A0A5K4FC62_SCHMA Loading...

UPF0183 protein C16orf70 homolog

AlphaFold DB , UniProt , Accession A0A5K4FC62, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 316 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
1M80Confident82Confident27 Ų2782.1 Ų82.113%0.13342%0.422CS..  0-44.20-173.1172.5-172.700114.7E3 V4 L5 L14 L34 K48 L51M1-E3 PolarHBondContact O-N 3.13Å; M1-E3 VanDerWaalsContact O-N 3.15Å; M1-V4 WeakPolarHBondContact O-CB 3.41Å; M1-V4 PolarHBondContact O-N 3.02Å; M1-L5 HydrophobicContact CE-CD1 4.06Å; M1-L5 HydrophobicContact CE-CD2 4.07Å; M1-L5 HydrophobicContact CE-CG 4.36Å; M1-L5 HydrophobicContact CG-CD1 3.9Å; M1-L5 HydrophobicContact CG-CG 3.98Å; M1-L5 PolarHBondContact O-N 3.41Å; M1-L5 VanDerWaalsContact O-N 3.1Å; M1-L5 HydrophobicContact SD-CD1 4.42Å; M1-L14 HydrophobicContact CE-CD1 3.32Å; M1-L14 HydrophobicContact CE-CD2 4.44Å; M1-L14 HydrophobicContact CE-CG 4.48Å; M1-L34 HydrophobicContact CE-CD1 4.26Å; M1-L34 HydrophobicContact SD-CD1 4.38Å; M1-K48 VanDerWaalsContact CB-O 3.31Å; M1-K48 WeakPolarHBondContact CB-O 3.45Å; M1-K48 HydrophobicContact CE-CB 3.86Å; M1-K48 HydrophobicContact CE-CD 3.79Å; M1-K48 HydrophobicContact CE-CG 3.62Å; M1-K48 VanDerWaalsContact SD-CA 3.55Å; M1-K48 HydrophobicContact SD-CB 3.5Å; M1-K48 VanDerWaalsContact SD-CB 3.5Å; M1-K48 HydrophobicContact SD-CG 3.94Å; M1-L51 HydrophobicContact CB-CB 4.12Å; M1-L51 VanDerWaalsContact CB-O 3.31Å; M1-L51 WeakPolarHBondContact CB-O 3.19Å; M1-L51 HydrophobicContact CE-CD1 4.17Å; M1-L51 PolarHBondContact N-O 2.93Å; M1-L51 HydrophobicContact SD-CB 3.73Å; M1-L51 HydrophobicContact SD-CD1 3.5Å; M1-L51 VanDerWaalsContact SD-CD1 3.5Å; M1-L51 HydrophobicContact SD-CG 4.19Å
2Q81.5Confident81.8Confident138 Ų13883.9 Ų83.965%0.64543%0.425SS*.Hα-helixtrans-50-42.1-175.5-69.2179.2-800113.7V4 L5 R6Q2-V4 PolarHBondContact O-N 3.19Å; Q2-L5 PolarHBondContact O-N 3.01Å; Q2-R6 WeakPolarHBondContact O-CB 3.33Å; Q2-R6 PolarHBondContact O-N 2.95Å
3E84.1Confident81.9Confident87 Ų8785.4 Ų85.441%0.40744%0.443SS..Hα-helixtrans-62.2-41.9177.4-169.652.4-128.600113.2M1 R6 I7M1-E3 PolarHBondContact O-N 3.13Å; M1-E3 VanDerWaalsContact O-N 3.15Å; E3-R6 WeakPolarHBondContact O-CB 3.21Å; E3-R6 PolarHBondContact O-N 3.05Å; E3-R6 IonicContact OE1-CZ 2.58Å; E3-R6 IonicContact OE1-NE 3.13Å; E3-R6 PolarHBondContact OE1-NE 3.02Å; E3-R6 IonicContact OE1-NH2 2.69Å; E3-R6 PolarHBondContact OE1-NH2 3.17Å; E3-R6 IonicContact OE2-CZ 2.76Å; E3-R6 IonicContact OE2-NE 3.17Å; E3-R6 PolarHBondContact OE2-NE 2.95Å; E3-R6 IonicContact OE2-NH2 2.95Å; E3-R6 PolarHBondContact OE2-NH2 3.11Å; E3-I7 HydrophobicContact CG-CD1 4.02Å; E3-I7 WeakPolarHBondContact O-CG1 3.32Å; E3-I7 PolarHBondContact O-N 3.49Å; E3-I7 WeakPolarHBondContact OE1-CD1 3.36Å; E3-I7 WeakPolarHBondContact OE1-CG1 3.37Å
4V84.4Confident82.1Confident18 Ų1882.8 Ų82.811%0.10943%0.43CS..Hα-helixtrans-63.5-44.9176.5177.30000110.4M1 Q2 R6 I7 F8 L25 Y27 F32M1-V4 WeakPolarHBondContact O-CB 3.41Å; M1-V4 PolarHBondContact O-N 3.02Å; Q2-V4 PolarHBondContact O-N 3.19Å; V4-R6 VanDerWaalsContact C-N 3.29Å; V4-R6 PolarHBondContact O-N 3.47Å; V4-I7 PolarHBondContact O-N 3.18Å; V4-F8 HydrophobicContact CG1-CD2 3.99Å; V4-F8 WeakPolarHBondContact O-CB 3.17Å; V4-F8 WeakPolarHBondContact O-CD2 3.19Å; V4-F8 PolarHBondContact O-N 3.32Å; V4-L25 HydrophobicContact CG1-CD2 3.93Å; V4-Y27 HydrophobicContact CG1-CE2 4.11Å; V4-F32 HydrophobicContact CG1-CD1 4.27Å; V4-F32 HydrophobicContact CG1-CD2 3.72Å; V4-F32 HydrophobicContact CG1-CE1 4.13Å; V4-F32 HydrophobicContact CG1-CE2 3.57Å; V4-F32 HydrophobicContact CG1-CG 4.08Å; V4-F32 HydrophobicContact CG1-CZ 3.8Å; V4-F32 HydrophobicContact CG2-CD1 3.93Å; V4-F32 HydrophobicContact CG2-CE1 3.75Å; V4-F32 HydrophobicContact CG2-CG 4.48Å; V4-F32 HydrophobicContact CG2-CZ 4.17Å
5L85.1Confident82.5Confident29 Ų2979.7 Ų79.715%0.15242%0.421CS..Hα-helixtrans-66.2-33178-60175.4000112.2M1 Q2 G9 L25 K48M1-L5 HydrophobicContact CE-CD1 4.06Å; M1-L5 HydrophobicContact CE-CD2 4.07Å; M1-L5 HydrophobicContact CE-CG 4.36Å; M1-L5 HydrophobicContact CG-CD1 3.9Å; M1-L5 HydrophobicContact CG-CG 3.98Å; M1-L5 PolarHBondContact O-N 3.41Å; M1-L5 VanDerWaalsContact O-N 3.1Å; M1-L5 HydrophobicContact SD-CD1 4.42Å; Q2-L5 PolarHBondContact O-N 3.01Å; L5-G9 CarbonylContact O-C 3.26Å; L5-G9 VanDerWaalsContact O-C 3.26Å; L5-G9 WeakPolarHBondContact O-CA 3.26Å; L5-G9 PolarHBondContact O-N 3.02Å; L5-L25 HydrophobicContact CD2-CD2 4.04Å; L5-K48 HydrophobicContact CD1-CD 4.12Å
6R83.2Confident82.7Confident187 Ų18781 Ų8171%0.70644%0.436SS*.Hα-helixtrans-66.6-46175.1-176.2-179.272.6149.3-5.1111.6Q2 E3 V4Q2-R6 WeakPolarHBondContact O-CB 3.33Å; Q2-R6 PolarHBondContact O-N 2.95Å; E3-R6 WeakPolarHBondContact O-CB 3.21Å; E3-R6 PolarHBondContact O-N 3.05Å; E3-R6 IonicContact OE1-CZ 2.58Å; E3-R6 IonicContact OE1-NE 3.13Å; E3-R6 PolarHBondContact OE1-NE 3.02Å; E3-R6 IonicContact OE1-NH2 2.69Å; E3-R6 PolarHBondContact OE1-NH2 3.17Å; E3-R6 IonicContact OE2-CZ 2.76Å; E3-R6 IonicContact OE2-NE 3.17Å; E3-R6 PolarHBondContact OE2-NE 2.95Å; E3-R6 IonicContact OE2-NH2 2.95Å; E3-R6 PolarHBondContact OE2-NH2 3.11Å; V4-R6 VanDerWaalsContact C-N 3.29Å; V4-R6 PolarHBondContact O-N 3.47Å
7I85.7Confident82.7Confident106 Ų10677.5 Ų77.554%0.54442%0.421SS..Hα-helixtrans-75.8-48.1-176.7-65.8169.5000111.5E3 V4E3-I7 HydrophobicContact CG-CD1 4.02Å; E3-I7 WeakPolarHBondContact O-CG1 3.32Å; E3-I7 PolarHBondContact O-N 3.49Å; E3-I7 WeakPolarHBondContact OE1-CD1 3.36Å; E3-I7 WeakPolarHBondContact OE1-CG1 3.37Å; V4-I7 PolarHBondContact O-N 3.18Å
8F84.9Confident82.5Confident81 Ų8184.6 Ų84.636%0.35545%0.451SS..Hα-helixtrans-100.3-7.1-170.4-64.6-87000113.8V4 Y27 I30 F32V4-F8 HydrophobicContact CG1-CD2 3.99Å; V4-F8 WeakPolarHBondContact O-CB 3.17Å; V4-F8 WeakPolarHBondContact O-CD2 3.19Å; V4-F8 PolarHBondContact O-N 3.32Å; F8-Y27 HydrophobicContact CB-CD1 3.85Å; F8-Y27 HydrophobicContact CB-CD2 3.92Å; F8-Y27 HydrophobicContact CB-CE1 3.48Å; F8-Y27 VanDerWaalsContact CB-CE1 3.48Å; F8-Y27 HydrophobicContact CB-CE2 3.54Å; F8-Y27 HydrophobicContact CB-CG 4.06Å; F8-Y27 HydrophobicContact CD1-CD2 4.3Å; F8-Y27 HydrophobicContact CD1-CG 4.3Å; F8-Y27 HydrophobicContact CG-CD2 4.14Å; F8-Y27 HydrophobicContact CG-CE2 4.07Å; F8-Y27 HydrophobicContact CG-CG 4.42Å; F8-Y27 WeakPolarHBondContact O-CE1 3.48Å; F8-I30 HydrophobicContact CD1-CG2 4.24Å; F8-I30 HydrophobicContact CE1-CD1 4.26Å; F8-I30 HydrophobicContact CE1-CG2 3.79Å; F8-I30 HydrophobicContact CZ-CD1 3.85Å; F8-I30 HydrophobicContact CZ-CG2 4.36Å; F8-F32 HydrophobicContact CD2-CE2 4.07Å; F8-F32 AromaticContact CD2-CZ 3.99Å; F8-F32 HydrophobicContact CD2-CZ 3.99Å; F8-F32 AromaticContact CE2-CE2 4Å; F8-F32 HydrophobicContact CE2-CE2 4Å; F8-F32 AromaticContact CE2-CZ 3.53Å; F8-F32 HydrophobicContact CE2-CZ 3.53Å; F8-F32 HydrophobicContact CZ-CE2 4.4Å; F8-F32 HydrophobicContact CZ-CZ 4.02Å
9G82.3Confident82.3Confident28 Ų2883 Ų8329%0.28945%0.447SS..  trans89.4151.4-178.300000113.4L5 Y27L5-G9 CarbonylContact O-C 3.26Å; L5-G9 VanDerWaalsContact O-C 3.26Å; L5-G9 WeakPolarHBondContact O-CA 3.26Å; L5-G9 PolarHBondContact O-N 3.02Å; G9-Y27 PolarHBondContact O-OH 2.81Å
10S75.9Confident82.1Confident76 Ų7687.3 Ų87.353%0.53147%0.469SS..SBendtrans-90.11.2-172.459.60000115.2
11T75.1Confident82.1Confident126 Ų12685.1 Ų85.177%0.77347%0.468SS*.  trans-79.4-19.1-16851.20000114.6
12K79.3Confident82.4Confident104 Ų10484 Ų8445%0.45246%0.463SS..SBendtrans-80.7131.9179.3-70.8-72-177.4176.30110.8L25 Y27K12-L25 HydrophobicContact CB-CD1 3.82Å; K12-L25 WeakPolarHBondContact O-CD1 3.23Å; K12-Y27 HydrophobicContact CB-CE1 4.11Å; K12-Y27 HydrophobicContact CG-CD1 3.89Å; K12-Y27 HydrophobicContact CG-CE1 3.79Å
13P83.2Confident82.8Confident103 Ų10382 Ų8267%0.66945%0.45SS*.PPolyproline II helixtrans-69149.7178.229.6-34.4000110.7
14L85.5Confident83.1Confident49 Ų4980.6 Ų80.626%0.25744%0.443SS..PPolyproline II helixtrans-78118.5167.1-132.276.3000108.2M1 Y23 L25 L34 L51M1-L14 HydrophobicContact CE-CD1 3.32Å; M1-L14 HydrophobicContact CE-CD2 4.44Å; M1-L14 HydrophobicContact CE-CG 4.48Å; L14-Y23 HydrophobicContact CD2-CD1 3.71Å; L14-Y23 HydrophobicContact CD2-CD2 4.12Å; L14-Y23 HydrophobicContact CD2-CG 3.47Å; L14-Y23 VanDerWaalsContact CD2-CG 3.47Å; L14-Y23 HydrophobicContact CG-CD1 4.37Å; L14-Y23 HydrophobicContact CG-CG 4.24Å; L14-L25 HydrophobicContact CD1-CB 4.08Å; L14-L25 HydrophobicContact CD1-CD1 4.15Å; L14-L25 HydrophobicContact CD1-CD2 4.48Å; L14-L25 HydrophobicContact CD1-CG 4.47Å; L14-L34 HydrophobicContact CD1-CD1 3.58Å; L14-L34 HydrophobicContact CG-CD1 4.36Å; L14-L51 HydrophobicContact CD2-CD1 3.33Å
15A87.4Confident83.4Confident36 Ų3679.8 Ų79.830%0.29844%0.438SS..EExtended strand (participates in β ladder)trans-98.3154.2172.500000109.8Y23 Q24A15-Y23 CarbonylContact O-C 3.55Å; A15-Y23 VanDerWaalsContact O-CA 3.26Å; A15-Y23 WeakPolarHBondContact O-CA 3.22Å; A15-Q24 HydrophobicContact CB-CG 3.75Å; A15-Q24 PolarHBondContact N-O 3.39Å; A15-Q24 PolarHBondContact O-N 2.98Å
16P85.3Confident83.7Confident101 Ų10180 Ų8066%0.65644%0.441SS*.EExtended strand (participates in β ladder)trans-63.5141.8167.527.1-32.6000110Q24P16-Q24 PolarHBondContact O-NE2 3.25Å
17A83.9Confident84.1Confident22 Ų2272 Ų7218%0.18241%0.411CS..  trans-90.8176170.100000110.5S19 D22 Q24 I33A17-S19 VanDerWaalsContact C-N 3.3Å; A17-S19 PolarHBondContact O-N 3.46Å; A17-D22 HydrophobicContact CB-CB 3.75Å; A17-D22 PolarHBondContact N-O 2.92Å; A17-Q24 HydrophobicContact CB-CB 4.27Å; A17-I33 HydrophobicContact CB-CD1 4.3Å
18E78.9Confident84.2Confident205 Ų20576.6 Ų76.696%0.95842%0.421SS*.SBendtrans-67-28.5-178.5-63.8-178.2164.700113.7
19S78.8Confident84.3Confident54 Ų5473.6 Ų73.638%0.37841%0.413SS..SBendtrans-87.9136.7178-62.40000110.9A17 G21 D22A17-S19 VanDerWaalsContact C-N 3.3Å; A17-S19 PolarHBondContact O-N 3.46Å; S19-G21 PolarHBondContact O-N 3.33Å; S19-D22 WeakPolarHBondContact CB-OD2 3.4Å; S19-D22 WeakPolarHBondContact O-CB 3.49Å; S19-D22 PolarHBondContact O-N 3.4Å
20D77.3Confident84.8Confident168 Ų16873.3 Ų73.390%0.89841%0.405SS*.THydrogen-bonded Turntrans-59.3132.4-178.7-169.830.9000111.7D22D20-D22 VanDerWaalsContact C-N 3.26Å; D20-D22 PolarHBondContact O-N 3.21Å
21G81.8Confident85.6Confident42 Ų4269.7 Ų69.743%0.43338%0.379SS..THydrogen-bonded Turntrans76.5-2.4-175.700000116.4S19S19-G21 PolarHBondContact O-N 3.33Å
22D87.5Confident86.4Confident5 Ų564.4 Ų64.43%0.02735%0.346CS..EExtended strand (participates in β ladder)trans-91.1144.6173.7-72.7-16.3000111.5A17 S19 D20 I33 R35A17-D22 HydrophobicContact CB-CB 3.75Å; A17-D22 PolarHBondContact N-O 2.92Å; S19-D22 WeakPolarHBondContact CB-OD2 3.4Å; S19-D22 WeakPolarHBondContact O-CB 3.49Å; S19-D22 PolarHBondContact O-N 3.4Å; D20-D22 VanDerWaalsContact C-N 3.26Å; D20-D22 PolarHBondContact O-N 3.21Å; D22-I33 HydrophobicContact CB-CG2 4.01Å; D22-R35 VanDerWaalsContact CG-NH2 3.31Å; D22-R35 WeakPolarHBondContact OD1-CB 3.24Å; D22-R35 WeakPolarHBondContact OD1-CG 3.47Å; D22-R35 IonicContact OD1-CZ 3.51Å; D22-R35 VanDerWaalsContact OD1-CZ 3.3Å; D22-R35 IonicContact OD1-NE 2.66Å; D22-R35 PolarHBondContact OD1-NE 2.8Å; D22-R35 IonicContact OD1-NH2 2.69Å; D22-R35 PolarHBondContact OD1-NH2 2.84Å; D22-R35 VanDerWaalsContact OD1-NH2 3.12Å; D22-R35 IonicContact OD2-CZ 3.82Å; D22-R35 IonicContact OD2-NE 3.86Å; D22-R35 IonicContact OD2-NH2 3.61Å; D22-R35 PolarHBondContact OD2-NH2 3.32Å
23Y89.7Confident87Confident95 Ų9560.1 Ų60.137%0.37333%0.327SS..EExtended strand (participates in β ladder)trans-117.7145174.3-57.4-88.3000109.8L14 A15 I33 L34 L51L14-Y23 HydrophobicContact CD2-CD1 3.71Å; L14-Y23 HydrophobicContact CD2-CD2 4.12Å; L14-Y23 HydrophobicContact CD2-CG 3.47Å; L14-Y23 VanDerWaalsContact CD2-CG 3.47Å; L14-Y23 HydrophobicContact CG-CD1 4.37Å; L14-Y23 HydrophobicContact CG-CG 4.24Å; A15-Y23 CarbonylContact O-C 3.55Å; A15-Y23 VanDerWaalsContact O-CA 3.26Å; A15-Y23 WeakPolarHBondContact O-CA 3.22Å; Y23-I33 CarbonylContact O-C 3.54Å; Y23-I33 WeakPolarHBondContact O-CA 3.34Å; Y23-L34 PolarHBondContact N-O 3.09Å; Y23-L34 PolarHBondContact O-N 2.87Å; Y23-L51 HydrophobicContact CD2-CD2 3.71Å; Y23-L51 HydrophobicContact CE2-CD2 4.03Å
24Q90.4Very high87.4Confident57 Ų5755.2 Ų55.227%0.26630%0.295SS..EExtended strand (participates in β ladder)trans-109.4139.3172.764.9-179.8-27.800110.7A15 P16 A17 T31 F32 I33A15-Q24 HydrophobicContact CB-CG 3.75Å; A15-Q24 PolarHBondContact N-O 3.39Å; A15-Q24 PolarHBondContact O-N 2.98Å; P16-Q24 PolarHBondContact O-NE2 3.25Å; A17-Q24 HydrophobicContact CB-CB 4.27Å; Q24-T31 HydrophobicContact CB-CG2 4.34Å; Q24-F32 CarbonylContact C-O 3.53Å; Q24-F32 WeakPolarHBondContact CA-O 3.36Å; Q24-I33 HydrophobicContact CB-CD1 3.86Å
25L91Very high87.5Confident1 Ų158.2 Ų58.21%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-123.2111.6171.9-177.162.6000108.4V4 L5 K12 L14 Y27 T31 F32 L34V4-L25 HydrophobicContact CG1-CD2 3.93Å; L5-L25 HydrophobicContact CD2-CD2 4.04Å; K12-L25 HydrophobicContact CB-CD1 3.82Å; K12-L25 WeakPolarHBondContact O-CD1 3.23Å; L14-L25 HydrophobicContact CD1-CB 4.08Å; L14-L25 HydrophobicContact CD1-CD1 4.15Å; L14-L25 HydrophobicContact CD1-CD2 4.48Å; L14-L25 HydrophobicContact CD1-CG 4.47Å; L25-Y27 HydrophobicContact CD1-CE2 4.38Å; L25-Y27 HydrophobicContact CD2-CE2 3.76Å; L25-Y27 HydrophobicContact CG-CD2 4.48Å; L25-Y27 HydrophobicContact CG-CE2 3.64Å; L25-T31 WeakPolarHBondContact O-CA 3.08Å; L25-F32 HydrophobicContact CB-CB 4.42Å; L25-F32 PolarHBondContact N-O 3.34Å; L25-F32 PolarHBondContact O-N 3.09Å; L25-L34 HydrophobicContact CB-CD1 3.89Å; L25-L34 HydrophobicContact CD2-CD1 4.35Å
26T91Very high87.4Confident34 Ų3460.4 Ų60.421%0.20930%0.304CS..EExtended strand (participates in β ladder)trans-109.5125.3-172.1-64.30000111.6T31 N63T26-T31 WeakPolarHBondContact CB-OG1 3.14Å; T26-T31 WeakPolarHBondContact CG2-OG1 3.45Å; T26-T31 PolarHBondContact OG1-OG1 3.1Å; T26-N63 HydrophobicContact CG2-CB 3.94Å
27Y90.5Very high86.9Confident20 Ų2063.9 Ų63.98%0.07831%0.309CS..EExtended strand (participates in β ladder)trans-113.3167.2164.5-56.3-88.1000108.9V4 F8 G9 K12 L25 G29 I30 F32 Y59V4-Y27 HydrophobicContact CG1-CE2 4.11Å; F8-Y27 HydrophobicContact CB-CD1 3.85Å; F8-Y27 HydrophobicContact CB-CD2 3.92Å; F8-Y27 HydrophobicContact CB-CE1 3.48Å; F8-Y27 VanDerWaalsContact CB-CE1 3.48Å; F8-Y27 HydrophobicContact CB-CE2 3.54Å; F8-Y27 HydrophobicContact CB-CG 4.06Å; F8-Y27 HydrophobicContact CD1-CD2 4.3Å; F8-Y27 HydrophobicContact CD1-CG 4.3Å; F8-Y27 HydrophobicContact CG-CD2 4.14Å; F8-Y27 HydrophobicContact CG-CE2 4.07Å; F8-Y27 HydrophobicContact CG-CG 4.42Å; F8-Y27 WeakPolarHBondContact O-CE1 3.48Å; G9-Y27 PolarHBondContact O-OH 2.81Å; K12-Y27 HydrophobicContact CB-CE1 4.11Å; K12-Y27 HydrophobicContact CG-CD1 3.89Å; K12-Y27 HydrophobicContact CG-CE1 3.79Å; L25-Y27 HydrophobicContact CD1-CE2 4.38Å; L25-Y27 HydrophobicContact CD2-CE2 3.76Å; L25-Y27 HydrophobicContact CG-CD2 4.48Å; L25-Y27 HydrophobicContact CG-CE2 3.64Å; Y27-G29 PolarHBondContact O-N 3.16Å; Y27-I30 CarbonylContact C-O 3.57Å; Y27-I30 HydrophobicContact CD2-CG2 4.36Å; Y27-I30 HydrophobicContact CG-CG2 4.49Å; Y27-I30 PolarHBondContact N-O 2.93Å; Y27-I30 PolarHBondContact O-N 2.89Å; Y27-F32 HydrophobicContact CD2-CD2 4.19Å; Y27-F32 AromaticContact CD2-CE2 3.98Å; Y27-F32 HydrophobicContact CD2-CE2 3.98Å; Y27-F32 HydrophobicContact CE2-CD2 4.18Å; Y27-F32 HydrophobicContact CE2-CE2 4.09Å; Y27-Y59 PolarHBondContact O-OH 3.07Å
28R88Confident86.2Confident202 Ų20264.8 Ų64.876%0.76231%0.314SS*.THydrogen-bonded Turntrans-61.7125175.3-175.3176.7175.386.7-2.2108.8I30R28-I30 PolarHBondContact O-N 2.82Å
29G88.4Confident85.3Confident17 Ų1762.3 Ų62.318%0.17531%0.313CS..THydrogen-bonded Turntrans72.7-0.1-18000000117.1Y27 I58 Y59 G61Y27-G29 PolarHBondContact O-N 3.16Å; G29-I58 WeakPolarHBondContact O-CA 3.22Å; G29-Y59 CarbonylContact C-O 3.54Å; G29-Y59 WeakPolarHBondContact CA-O 3.34Å; G29-Y59 PolarHBondContact O-N 2.71Å; G29-G61 PolarHBondContact N-O 3.38Å
30I91.8Very high84.1Confident23 Ų2362 Ų6212%0.11832%0.318CS..EExtended strand (participates in β ladder)trans-149.6131.8179.3-165.5170.8000112F8 Y27 R28 F32 L56 F57 I58F8-I30 HydrophobicContact CD1-CG2 4.24Å; F8-I30 HydrophobicContact CE1-CD1 4.26Å; F8-I30 HydrophobicContact CE1-CG2 3.79Å; F8-I30 HydrophobicContact CZ-CD1 3.85Å; F8-I30 HydrophobicContact CZ-CG2 4.36Å; Y27-I30 CarbonylContact C-O 3.57Å; Y27-I30 HydrophobicContact CD2-CG2 4.36Å; Y27-I30 HydrophobicContact CG-CG2 4.49Å; Y27-I30 PolarHBondContact N-O 2.93Å; Y27-I30 PolarHBondContact O-N 2.89Å; R28-I30 PolarHBondContact O-N 2.82Å; I30-F32 HydrophobicContact CD1-CE2 4.12Å; I30-F32 HydrophobicContact CD1-CZ 3.78Å; I30-F32 HydrophobicContact CG1-CE2 4.08Å; I30-F32 HydrophobicContact CG1-CZ 4.16Å; I30-F32 HydrophobicContact CG2-CE2 4.3Å; I30-L56 HydrophobicContact CD1-CD1 3.65Å; I30-L56 HydrophobicContact CD1-CD2 4.47Å; I30-L56 HydrophobicContact CD1-CG 4.43Å; I30-L56 HydrophobicContact CG1-CD1 3.48Å; I30-L56 VanDerWaalsContact CG1-CD1 3.48Å; I30-L56 HydrophobicContact CG1-CG 4.42Å; I30-F57 CarbonylContact C-O 3.52Å; I30-F57 VanDerWaalsContact CA-O 3.25Å; I30-F57 WeakPolarHBondContact CA-O 3.27Å; I30-F57 WeakPolarHBondContact CG1-O 3.06Å; I30-I58 HydrophobicContact CD1-CG1 4.24Å; I30-I58 HydrophobicContact CG1-CG1 4.2Å
31T92.6Very high82.9Confident0 Ų059 Ų590%031%0.311CS..EExtended strand (participates in β ladder)trans-127.9133.4175-72.20000110.7Q24 L25 T26 I33 F57 Y59Q24-T31 HydrophobicContact CB-CG2 4.34Å; L25-T31 WeakPolarHBondContact O-CA 3.08Å; T26-T31 WeakPolarHBondContact CB-OG1 3.14Å; T26-T31 WeakPolarHBondContact CG2-OG1 3.45Å; T26-T31 PolarHBondContact OG1-OG1 3.1Å; T31-I33 HydrophobicContact CG2-CD1 4.3Å; T31-F57 PolarHBondContact N-O 2.73Å; T31-F57 PolarHBondContact O-N 2.83Å; T31-Y59 PolarHBondContact OG1-OH 3.12Å
32F92.4Very high81.6Confident15 Ų1569.4 Ų69.47%0.06634%0.337CS..EExtended strand (participates in β ladder)trans-102.7132.1174.2-59.3-94.6000109.5V4 F8 Q24 L25 Y27 I30 L34 A53 L56V4-F32 HydrophobicContact CG1-CD1 4.27Å; V4-F32 HydrophobicContact CG1-CD2 3.72Å; V4-F32 HydrophobicContact CG1-CE1 4.13Å; V4-F32 HydrophobicContact CG1-CE2 3.57Å; V4-F32 HydrophobicContact CG1-CG 4.08Å; V4-F32 HydrophobicContact CG1-CZ 3.8Å; V4-F32 HydrophobicContact CG2-CD1 3.93Å; V4-F32 HydrophobicContact CG2-CE1 3.75Å; V4-F32 HydrophobicContact CG2-CG 4.48Å; V4-F32 HydrophobicContact CG2-CZ 4.17Å; F8-F32 HydrophobicContact CD2-CE2 4.07Å; F8-F32 AromaticContact CD2-CZ 3.99Å; F8-F32 HydrophobicContact CD2-CZ 3.99Å; F8-F32 AromaticContact CE2-CE2 4Å; F8-F32 HydrophobicContact CE2-CE2 4Å; F8-F32 AromaticContact CE2-CZ 3.53Å; F8-F32 HydrophobicContact CE2-CZ 3.53Å; F8-F32 HydrophobicContact CZ-CE2 4.4Å; F8-F32 HydrophobicContact CZ-CZ 4.02Å; Q24-F32 CarbonylContact C-O 3.53Å; Q24-F32 WeakPolarHBondContact CA-O 3.36Å; L25-F32 HydrophobicContact CB-CB 4.42Å; L25-F32 PolarHBondContact N-O 3.34Å; L25-F32 PolarHBondContact O-N 3.09Å; Y27-F32 HydrophobicContact CD2-CD2 4.19Å; Y27-F32 AromaticContact CD2-CE2 3.98Å; Y27-F32 HydrophobicContact CD2-CE2 3.98Å; Y27-F32 HydrophobicContact CE2-CD2 4.18Å; Y27-F32 HydrophobicContact CE2-CE2 4.09Å; I30-F32 HydrophobicContact CD1-CE2 4.12Å; I30-F32 HydrophobicContact CD1-CZ 3.78Å; I30-F32 HydrophobicContact CG1-CE2 4.08Å; I30-F32 HydrophobicContact CG1-CZ 4.16Å; I30-F32 HydrophobicContact CG2-CE2 4.3Å; F32-L34 HydrophobicContact CB-CD2 4.3Å; F32-L34 HydrophobicContact CB-CG 4.37Å; F32-A53 HydrophobicContact CD1-CB 4.38Å; F32-L56 HydrophobicContact CD1-CD1 3.52Å; F32-L56 HydrophobicContact CD2-CD1 4.45Å; F32-L56 HydrophobicContact CE1-CD1 3.33Å; F32-L56 HydrophobicContact CE2-CD1 4.3Å; F32-L56 HydrophobicContact CG-CD1 4.08Å; F32-L56 HydrophobicContact CZ-CD1 3.75Å
33I92.2Very high79.7Confident13 Ų1377.6 Ų77.67%0.06738%0.375CS..EExtended strand (participates in β ladder)trans-96.9126.6164.2-52.5-58.3000107.8A17 D22 Y23 Q24 T31 A53 T54 R55 F57A17-I33 HydrophobicContact CB-CD1 4.3Å; D22-I33 HydrophobicContact CB-CG2 4.01Å; Y23-I33 CarbonylContact O-C 3.54Å; Y23-I33 WeakPolarHBondContact O-CA 3.34Å; Q24-I33 HydrophobicContact CB-CD1 3.86Å; T31-I33 HydrophobicContact CG2-CD1 4.3Å; I33-A53 CarbonylContact O-C 3.51Å; I33-A53 WeakPolarHBondContact O-CA 3.33Å; I33-T54 PolarHBondContact O-N 2.83Å; I33-T54 PolarHBondContact O-OG1 2.82Å; I33-R55 HydrophobicContact CB-CB 3.95Å; I33-R55 HydrophobicContact CB-CG 4.46Å; I33-R55 HydrophobicContact CG1-CB 4.01Å; I33-R55 PolarHBondContact N-O 3.26Å; I33-R55 PolarHBondContact O-N 2.85Å; I33-F57 HydrophobicContact CD1-CE2 4.34Å; I33-F57 HydrophobicContact CG1-CD2 4.26Å; I33-F57 HydrophobicContact CG1-CE2 3.71Å
34L90.3Very high77.8Confident0 Ų077.6 Ų77.60%039%0.389CS..EExtended strand (participates in β ladder)trans-119.6128.8-171.4-59.5168.7000108.6M1 L14 Y23 L25 F32 L51 L52 A53M1-L34 HydrophobicContact CE-CD1 4.26Å; M1-L34 HydrophobicContact SD-CD1 4.38Å; L14-L34 HydrophobicContact CD1-CD1 3.58Å; L14-L34 HydrophobicContact CG-CD1 4.36Å; Y23-L34 PolarHBondContact N-O 3.09Å; Y23-L34 PolarHBondContact O-N 2.87Å; L25-L34 HydrophobicContact CB-CD1 3.89Å; L25-L34 HydrophobicContact CD2-CD1 4.35Å; F32-L34 HydrophobicContact CB-CD2 4.3Å; F32-L34 HydrophobicContact CB-CG 4.37Å; L34-L51 HydrophobicContact CB-CB 4.32Å; L34-L52 CarbonylContact C-O 3.57Å; L34-L52 VanDerWaalsContact CA-O 3.23Å; L34-L52 WeakPolarHBondContact CA-O 3.36Å; L34-A53 HydrophobicContact CD2-CB 3.81Å
35R88.4Confident75.6Confident112 Ų11282.8 Ų82.842%0.42342%0.417SS..EExtended strand (participates in β ladder)trans-117.4144.2174.4-174.5169.9-73.2170.6-1.8109.8D22 F37 L52 T54D22-R35 VanDerWaalsContact CG-NH2 3.31Å; D22-R35 WeakPolarHBondContact OD1-CB 3.24Å; D22-R35 WeakPolarHBondContact OD1-CG 3.47Å; D22-R35 IonicContact OD1-CZ 3.51Å; D22-R35 VanDerWaalsContact OD1-CZ 3.3Å; D22-R35 IonicContact OD1-NE 2.66Å; D22-R35 PolarHBondContact OD1-NE 2.8Å; D22-R35 IonicContact OD1-NH2 2.69Å; D22-R35 PolarHBondContact OD1-NH2 2.84Å; D22-R35 VanDerWaalsContact OD1-NH2 3.12Å; D22-R35 IonicContact OD2-CZ 3.82Å; D22-R35 IonicContact OD2-NE 3.86Å; D22-R35 IonicContact OD2-NH2 3.61Å; D22-R35 PolarHBondContact OD2-NH2 3.32Å; R35-F37 PolarHBondContact O-N 2.63Å; R35-L52 PolarHBondContact N-O 3.48Å; R35-L52 PolarHBondContact O-N 3.1Å; R35-T54 HydrophobicContact CB-CG2 3.65Å
36R84.5Confident73.8Confident83 Ų8388.2 Ų88.231%0.31345%0.446SS..EExtended strand (participates in β ladder)trans-74.8123.9173.8-166.1170.8-176.885.34.7109.8S47 D50 L51R36-S47 PolarHBondContact NH1-O 3.49Å; R36-D50 HydrophobicContact CG-CB 4.28Å; R36-D50 IonicContact CZ-OD2 3.36Å; R36-D50 IonicContact NH1-OD2 3.65Å; R36-D50 IonicContact NH2-OD2 3.64Å; R36-D50 PolarHBondContact NH2-OD2 3.47Å; R36-L51 HydrophobicContact CB-CD2 4.04Å
37F76.1Confident72.3Confident173 Ų17390 Ų9076%0.75946%0.46SS*.  trans-88.2-30.5-179.2-173.6-101.3000112.6R35 D50R35-F37 PolarHBondContact O-N 2.63Å; F37-D50 PolarHBondContact N-O 2.79Å; F37-D50 VanDerWaalsContact N-O 3.08Å
38S68.4Low71.1Confident41 Ų4192.7 Ų92.729%0.28747%0.472SS..  trans-87.4120.9-179.863.30000112.1G40 D50S38-G40 PolarHBondContact O-N 3.5Å; S38-D50 WeakPolarHBondContact OG-CB 3.28Å; S38-D50 PolarHBondContact OG-OD2 3.18Å
39T59.5Low70.2Confident154 Ų15485.7 Ų85.795%0.94545%0.454SS*.  trans-80.24.2166.650.50000112.7
40G54.9Low69.9Low47 Ų4787.8 Ų87.849%0.48546%0.461SS..SBendtrans-78.6124.3-178.900000112.8S38S38-G40 PolarHBondContact O-N 3.5Å
41S52.5Low69.6Low106 Ų10687 Ų8774%0.74146%0.457SS*.  trans28111.5160.7-53.10000118E43S41-E43 PolarHBondContact O-N 3.36Å
42R53Low69.4Low259 Ų25991.7 Ų91.798%0.97748%0.481SS*.THydrogen-bonded Turntrans-55.34-178.6-98173.396.6179.47117.8
43E48.9Very low69.2Low178 Ų17893.1 Ų93.183%0.83250%0.496SS*.THydrogen-bonded Turntrans-122.66.3-157.9-68.7-170.6163.700118S41S41-E43 PolarHBondContact O-N 3.36Å
44S48.6Very low69.1Low94 Ų9495.5 Ų95.566%0.65751%0.512SS*.  trans-112.3109.5173.367.40000113.4D46S44-D46 PolarHBondContact O-N 2.85Å; S44-D46 VanDerWaalsContact O-N 3.14Å
45I44.8Very low69.1Low167 Ų167102.1 Ų102.186%0.85654%0.537SS*.SBendtrans-77.388.2-171.8-62.5162.2000110.6
46D52.6Low69.3Low115 Ų115101.1 Ų101.162%0.61554%0.539SS*.  -146.470.9128.9-155.40.9000108S44 K48 S49S44-D46 PolarHBondContact O-N 2.85Å; S44-D46 VanDerWaalsContact O-N 3.14Å; D46-K48 PolarHBondContact O-N 2.83Å; D46-S49 PolarHBondContact O-N 3.36Å; D46-S49 VanDerWaalsContact O-N 3.17Å; D46-S49 PolarHBondContact O-OG 3.27Å
47S60.9Low69.6Low71 Ų71100.8 Ų100.850%0.49754%0.54SS..THydrogen-bonded Turntrans-59-11.5-160.3500000115.6R36R36-S47 PolarHBondContact NH1-O 3.49Å
48K64.7Low70.3Confident76 Ų7699 Ų9933%0.3354%0.537SS..THydrogen-bonded Turntrans-80.5-25.9-179.6-68.6-174.8177.9-178.30113.4M1 L5 D46 D50 L51M1-K48 VanDerWaalsContact CB-O 3.31Å; M1-K48 WeakPolarHBondContact CB-O 3.45Å; M1-K48 HydrophobicContact CE-CB 3.86Å; M1-K48 HydrophobicContact CE-CD 3.79Å; M1-K48 HydrophobicContact CE-CG 3.62Å; M1-K48 VanDerWaalsContact SD-CA 3.55Å; M1-K48 HydrophobicContact SD-CB 3.5Å; M1-K48 VanDerWaalsContact SD-CB 3.5Å; M1-K48 HydrophobicContact SD-CG 3.94Å; L5-K48 HydrophobicContact CD1-CD 4.12Å; D46-K48 PolarHBondContact O-N 2.83Å; K48-D50 VanDerWaalsContact C-N 3.32Å; K48-D50 PolarHBondContact O-N 2.9Å; K48-L51 PolarHBondContact O-N 3.35Å
49S69.4Low71.2Confident56 Ų5698.3 Ų98.339%0.39253%0.528SS..THydrogen-bonded Turntrans-64.3-36.2-175.5-49.30000113.2D46 L51D46-S49 PolarHBondContact O-N 3.36Å; D46-S49 VanDerWaalsContact O-N 3.17Å; D46-S49 PolarHBondContact O-OG 3.27Å; S49-L51 VanDerWaalsContact C-N 3.27Å; S49-L51 PolarHBondContact O-N 2.72Å
50D80.8Confident72.4Confident60 Ų6095.4 Ų95.432%0.32151%0.506SS..THydrogen-bonded Turntrans-85.15.3-172.1-60.1-32.1000114.5R36 F37 S38 K48R36-D50 HydrophobicContact CG-CB 4.28Å; R36-D50 IonicContact CZ-OD2 3.36Å; R36-D50 IonicContact NH1-OD2 3.65Å; R36-D50 IonicContact NH2-OD2 3.64Å; R36-D50 PolarHBondContact NH2-OD2 3.47Å; F37-D50 PolarHBondContact N-O 2.79Å; F37-D50 VanDerWaalsContact N-O 3.08Å; S38-D50 WeakPolarHBondContact OG-CB 3.28Å; S38-D50 PolarHBondContact OG-OD2 3.18Å; K48-D50 VanDerWaalsContact C-N 3.32Å; K48-D50 PolarHBondContact O-N 2.9Å
51L86.4Confident73.9Confident8 Ų894 Ų944%0.04249%0.492CS..EExtended strand (participates in β ladder)trans-93.9122.6-178-69.8172.6000111.2M1 L14 Y23 L34 R36 K48 S49M1-L51 HydrophobicContact CB-CB 4.12Å; M1-L51 VanDerWaalsContact CB-O 3.31Å; M1-L51 WeakPolarHBondContact CB-O 3.19Å; M1-L51 HydrophobicContact CE-CD1 4.17Å; M1-L51 PolarHBondContact N-O 2.93Å; M1-L51 HydrophobicContact SD-CB 3.73Å; M1-L51 HydrophobicContact SD-CD1 3.5Å; M1-L51 VanDerWaalsContact SD-CD1 3.5Å; M1-L51 HydrophobicContact SD-CG 4.19Å; L14-L51 HydrophobicContact CD2-CD1 3.33Å; Y23-L51 HydrophobicContact CD2-CD2 3.71Å; Y23-L51 HydrophobicContact CE2-CD2 4.03Å; L34-L51 HydrophobicContact CB-CB 4.32Å; R36-L51 HydrophobicContact CB-CD2 4.04Å; K48-L51 PolarHBondContact O-N 3.35Å; S49-L51 VanDerWaalsContact C-N 3.27Å; S49-L51 PolarHBondContact O-N 2.72Å
52L87.6Confident75.6Confident97 Ų9791.2 Ų91.251%0.50847%0.473SS..EExtended strand (participates in β ladder)trans-101.7134.9174.9-176.368.3000110L34 R35 T54L34-L52 CarbonylContact C-O 3.57Å; L34-L52 VanDerWaalsContact CA-O 3.23Å; L34-L52 WeakPolarHBondContact CA-O 3.36Å; R35-L52 PolarHBondContact N-O 3.48Å; R35-L52 PolarHBondContact O-N 3.1Å; L52-T54 PolarHBondContact O-N 2.84Å
53A88.5Confident77.2Confident45 Ų4581.2 Ų81.237%0.37244%0.438SS..EExtended strand (participates in β ladder)trans-72.4117.2169.400000110.1F32 I33 L34F32-A53 HydrophobicContact CD1-CB 4.38Å; I33-A53 CarbonylContact O-C 3.51Å; I33-A53 WeakPolarHBondContact O-CA 3.33Å; L34-A53 HydrophobicContact CD2-CB 3.81Å
54T90.3Very high79Confident64 Ų6476.3 Ų76.339%0.39342%0.417SS..EExtended strand (participates in β ladder)trans-100.2-29.5179.956.40000112.1I33 R35 L52I33-T54 PolarHBondContact O-N 2.83Å; I33-T54 PolarHBondContact O-OG1 2.82Å; R35-T54 HydrophobicContact CB-CG2 3.65Å; L52-T54 PolarHBondContact O-N 2.84Å
55R90.9Very high80.8Confident139 Ų13976.6 Ų76.653%0.52543%0.426SS..EExtended strand (participates in β ladder)trans-138.9148.7176.6-52.6179.1-178.3167.50.9110.8I33 F57I33-R55 HydrophobicContact CB-CB 3.95Å; I33-R55 HydrophobicContact CB-CG 4.46Å; I33-R55 HydrophobicContact CG1-CB 4.01Å; I33-R55 PolarHBondContact N-O 3.26Å; I33-R55 PolarHBondContact O-N 2.85Å; R55-F57 HydrophobicContact CB-CE2 4.09Å
56L92.6Very high82.9Confident91 Ų9173.2 Ų73.248%0.47641%0.406SS..EExtended strand (participates in β ladder)trans-128.8128.1175.5-178.560.5000108.8I30 F32 I58I30-L56 HydrophobicContact CD1-CD1 3.65Å; I30-L56 HydrophobicContact CD1-CD2 4.47Å; I30-L56 HydrophobicContact CD1-CG 4.43Å; I30-L56 HydrophobicContact CG1-CD1 3.48Å; I30-L56 VanDerWaalsContact CG1-CD1 3.48Å; I30-L56 HydrophobicContact CG1-CG 4.42Å; F32-L56 HydrophobicContact CD1-CD1 3.52Å; F32-L56 HydrophobicContact CD2-CD1 4.45Å; F32-L56 HydrophobicContact CE1-CD1 3.33Å; F32-L56 HydrophobicContact CE2-CD1 4.3Å; F32-L56 HydrophobicContact CG-CD1 4.08Å; F32-L56 HydrophobicContact CZ-CD1 3.75Å; L56-I58 HydrophobicContact CD2-CD1 4.43Å; L56-I58 HydrophobicContact CG-CG1 4.39Å
57F90.9Very high84.6Confident75 Ų7570 Ų7033%0.32940%0.395SS..EExtended strand (participates in β ladder)trans-115.1127.4172.9-62.7-82.5000109.1I30 T31 I33 R55 Y59 L64I30-F57 CarbonylContact C-O 3.52Å; I30-F57 VanDerWaalsContact CA-O 3.25Å; I30-F57 WeakPolarHBondContact CA-O 3.27Å; I30-F57 WeakPolarHBondContact CG1-O 3.06Å; T31-F57 PolarHBondContact N-O 2.73Å; T31-F57 PolarHBondContact O-N 2.83Å; I33-F57 HydrophobicContact CD1-CE2 4.34Å; I33-F57 HydrophobicContact CG1-CD2 4.26Å; I33-F57 HydrophobicContact CG1-CE2 3.71Å; R55-F57 HydrophobicContact CB-CE2 4.09Å; F57-Y59 HydrophobicContact CB-CD1 4.05Å; F57-Y59 HydrophobicContact CB-CE1 4.19Å; F57-L64 HydrophobicContact CB-CD1 4.13Å; F57-L64 HydrophobicContact CD1-CD1 4.21Å; F57-L64 HydrophobicContact CG-CD1 4.07Å
58I89.9Confident85.7Confident137 Ų13773.8 Ų73.870%0.70340%0.403SS*.EExtended strand (participates in β ladder)trans-113.9127.7171.8-58.7170.8000106.7G29 I30 L56G29-I58 WeakPolarHBondContact O-CA 3.22Å; I30-I58 HydrophobicContact CD1-CG1 4.24Å; I30-I58 HydrophobicContact CG1-CG1 4.2Å; L56-I58 HydrophobicContact CD2-CD1 4.43Å; L56-I58 HydrophobicContact CG-CG1 4.39Å
59Y87.2Confident86.2Confident25 Ų2576.3 Ų76.310%0.09842%0.424CS..  trans-152.8165.2-174.751.9-95.7000111.4Y27 G29 T31 F57 N63 L64 A67Y27-Y59 PolarHBondContact O-OH 3.07Å; G29-Y59 CarbonylContact C-O 3.54Å; G29-Y59 WeakPolarHBondContact CA-O 3.34Å; G29-Y59 PolarHBondContact O-N 2.71Å; T31-Y59 PolarHBondContact OG1-OH 3.12Å; F57-Y59 HydrophobicContact CB-CD1 4.05Å; F57-Y59 HydrophobicContact CB-CE1 4.19Å; Y59-N63 VanDerWaalsContact CE2-O 3.23Å; Y59-N63 WeakPolarHBondContact CE2-O 3.31Å; Y59-N63 VanDerWaalsContact CZ-C 3.45Å; Y59-N63 VanDerWaalsContact OH-CA 3.3Å; Y59-N63 WeakPolarHBondContact OH-CA 3.35Å; Y59-L64 HydrophobicContact CD1-CD1 4.16Å; Y59-L64 HydrophobicContact CE1-CD1 4.23Å; Y59-A67 HydrophobicContact CD2-CB 4.05Å; Y59-A67 HydrophobicContact CG-CB 3.87Å
60L84.4Confident86.3Confident93 Ų9377 Ų7749%0.48743%0.428SS..BIsolated β-bridgetrans-87.4121.8164.3-64.9176.9000109A67 K68 P70L60-A67 CarbonylContact O-C 3.6Å; L60-A67 WeakPolarHBondContact O-CA 3.41Å; L60-K68 HydrophobicContact CB-CB 4.29Å; L60-K68 PolarHBondContact O-N 3.09Å; L60-P70 VanDerWaalsContact CD1-CA 3.46Å; L60-P70 HydrophobicContact CD1-CB 3.72Å; L60-P70 HydrophobicContact CD1-CG 3.67Å; L60-P70 HydrophobicContact CG-CG 4.05Å
61G86.5Confident85.8Confident17 Ų1781.1 Ų81.118%0.17546%0.455CS..SBendtrans146.3174.9-179.800000113.1G29G29-G61 PolarHBondContact N-O 3.38Å
62S88Confident85Confident49 Ų4986.6 Ų86.634%0.34348%0.48SS..SBendtrans-83.2-30.4-179.7-43.90000112.5E66S62-E66 WeakPolarHBondContact CB-OE2 3.39Å; S62-E66 PolarHBondContact OG-OE2 2.7Å
63N87.3Confident84.4Confident48 Ų4886.9 Ų86.926%0.25748%0.481SS..SBendtrans-154.3173.2-176.657.663000109.6T26 Y59 A65 E66 A67T26-N63 HydrophobicContact CG2-CB 3.94Å; Y59-N63 VanDerWaalsContact CE2-O 3.23Å; Y59-N63 WeakPolarHBondContact CE2-O 3.31Å; Y59-N63 VanDerWaalsContact CZ-C 3.45Å; Y59-N63 VanDerWaalsContact OH-CA 3.3Å; Y59-N63 WeakPolarHBondContact OH-CA 3.35Å; N63-A65 VanDerWaalsContact C-N 3.27Å; N63-A65 PolarHBondContact O-N 3.48Å; N63-A65 WeakPolarHBondContact OD1-CB 3.44Å; N63-A65 PolarHBondContact OD1-N 3.31Å; N63-A65 VanDerWaalsContact OD1-N 3.07Å; N63-E66 PolarHBondContact ND2-OE1 3.04Å; N63-E66 CarbonylContact O-C 3.49Å; N63-E66 PolarHBondContact O-N 3.13Å; N63-E66 PolarHBondContact OD1-N 3.3Å; N63-A67 PolarHBondContact O-N 3.07Å
64L86.5Confident83.8Confident75 Ų7587.9 Ų87.939%0.39348%0.484SS..G310 helixtrans-63.9-29.2-177-170.663.8000113.3F57 Y59 A67F57-L64 HydrophobicContact CB-CD1 4.13Å; F57-L64 HydrophobicContact CD1-CD1 4.21Å; F57-L64 HydrophobicContact CG-CD1 4.07Å; Y59-L64 HydrophobicContact CD1-CD1 4.16Å; Y59-L64 HydrophobicContact CE1-CD1 4.23Å; L64-A67 VanDerWaalsContact O-CB 3.22Å; L64-A67 WeakPolarHBondContact O-CB 3.5Å; L64-A67 PolarHBondContact O-N 2.82Å
65A87.4Confident83.2Confident100 Ų10085.1 Ų85.183%0.82647%0.467SS*.G310 helixtrans-72.8-30.2177.100000112.6N63 A67N63-A65 VanDerWaalsContact C-N 3.27Å; N63-A65 PolarHBondContact O-N 3.48Å; N63-A65 WeakPolarHBondContact OD1-CB 3.44Å; N63-A65 PolarHBondContact OD1-N 3.31Å; N63-A65 VanDerWaalsContact OD1-N 3.07Å; A65-A67 VanDerWaalsContact C-N 3.33Å
66E88.7Confident82.5Confident97 Ų9781.4 Ų81.445%0.45347%0.466SS..G310 helixtrans-91.911.6173.8-70171.4-145.300113S62 N63 K68S62-E66 WeakPolarHBondContact CB-OE2 3.39Å; S62-E66 PolarHBondContact OG-OE2 2.7Å; N63-E66 PolarHBondContact ND2-OE1 3.04Å; N63-E66 CarbonylContact O-C 3.49Å; N63-E66 PolarHBondContact O-N 3.13Å; N63-E66 PolarHBondContact OD1-N 3.3Å; E66-K68 PolarHBondContact O-N 2.78Å
67A86.7Confident82Confident46 Ų4680.1 Ų80.138%0.3847%0.465SS..  trans-61.2125.4-178.300000110.8Y59 L60 N63 L64 A65Y59-A67 HydrophobicContact CD2-CB 4.05Å; Y59-A67 HydrophobicContact CG-CB 3.87Å; L60-A67 CarbonylContact O-C 3.6Å; L60-A67 WeakPolarHBondContact O-CA 3.41Å; N63-A67 PolarHBondContact O-N 3.07Å; L64-A67 VanDerWaalsContact O-CB 3.22Å; L64-A67 WeakPolarHBondContact O-CB 3.5Å; L64-A67 PolarHBondContact O-N 2.82Å; A65-A67 VanDerWaalsContact C-N 3.33Å
68K84.2Confident81.7Confident152 Ų15277.3 Ų77.366%0.66145%0.452SS*.BIsolated β-bridgetrans-112.7142.7176.6-62.7-179.5-176.7-176.30109.6L60 E66L60-K68 HydrophobicContact CB-CB 4.29Å; L60-K68 PolarHBondContact O-N 3.09Å; E66-K68 PolarHBondContact O-N 2.78Å
69V76.7Confident81.3Confident128 Ų12877 Ų7778%0.77645%0.451SS*.  trans-69.9130.6166-176.20000107.4V71V69-V71 PolarHBondContact O-N 2.69Å; V69-V71 VanDerWaalsContact O-N 3.15Å
70P71.6Confident81.1Confident72 Ų7283 Ų8347%0.46848%0.48SS..  trans-52.4121.2167.7-21.631000109.8L60L60-P70 VanDerWaalsContact CD1-CA 3.46Å; L60-P70 HydrophobicContact CD1-CB 3.72Å; L60-P70 HydrophobicContact CD1-CG 3.67Å; L60-P70 HydrophobicContact CG-CG 4.05Å
71V69.6Low81.4Confident146 Ų14682 Ų8289%0.88548%0.475SS*.SBendtrans-67.3-33.5176-177.90000109.7V69V69-V71 PolarHBondContact O-N 2.69Å; V69-V71 VanDerWaalsContact O-N 3.15Å
72E70.5Confident81.7Confident122 Ų12282.8 Ų82.857%0.5748%0.476SS*.SBendtrans-121.2138.2-177.3-64.5174.5-166.500110.6I118E72-I118 HydrophobicContact CB-CD1 4.23Å
73L74.6Confident82Confident103 Ų10381.7 Ų81.754%0.53947%0.465SS..  trans-62.7135.5167.4-84.6150.3000109.2C77 Y78 I118L73-C77 HydrophobicContact CB-CB 4.43Å; L73-C77 HydrophobicContact CD2-CB 4.1Å; L73-Y78 HydrophobicContact CB-CE2 4.27Å; L73-Y78 WeakPolarHBondContact O-CE2 3.29Å; L73-I118 VanDerWaalsContact O-CD1 3.28Å; L73-I118 WeakPolarHBondContact O-CD1 3.43Å
74P75.8Confident82.4Confident67 Ų6780.2 Ų80.244%0.43546%0.457SS..  trans-52144.6173.1-26.334000111.9A76 C77P74-A76 PolarHBondContact O-N 2.89Å; P74-A76 VanDerWaalsContact O-N 3.11Å; P74-C77 VanDerWaalsContact O-CB 3.25Å; P74-C77 WeakPolarHBondContact O-CB 3.32Å; P74-C77 PolarHBondContact O-N 3.13Å
75S77.4Confident82.7Confident5 Ų581.8 Ų81.84%0.03546%0.463CS..G310 helixtrans-59.2-31.6-173.964.10000113.4C77 Y78 P116S75-C77 PolarHBondContact O-N 2.94Å; S75-Y78 WeakPolarHBondContact O-CD2 3.18Å; S75-Y78 PolarHBondContact O-N 3.43Å; S75-P116 WeakPolarHBondContact CB-O 3.41Å; S75-P116 PolarHBondContact OG-O 3.24Å
76A76.4Confident83.2Confident61 Ų6181.4 Ų81.450%0.50444%0.44SS..G310 helixtrans-63.9-23.5175.600000113.5P74 Y78 L79P74-A76 PolarHBondContact O-N 2.89Å; P74-A76 VanDerWaalsContact O-N 3.11Å; A76-Y78 VanDerWaalsContact C-N 3.26Å; A76-Y78 PolarHBondContact O-N 3.45Å; A76-L79 PolarHBondContact O-N 2.96Å
77C80.8Confident83.6Confident65 Ų6576.8 Ų76.844%0.43942%0.419SS..G310 helixtrans-73.2-17.4179.7-64.40000113.1L73 P74 S75 L79L73-C77 HydrophobicContact CB-CB 4.43Å; L73-C77 HydrophobicContact CD2-CB 4.1Å; P74-C77 VanDerWaalsContact O-CB 3.25Å; P74-C77 WeakPolarHBondContact O-CB 3.32Å; P74-C77 PolarHBondContact O-N 3.13Å; S75-C77 PolarHBondContact O-N 2.94Å; C77-L79 VanDerWaalsContact C-N 3.28Å; C77-L79 PolarHBondContact O-N 2.87Å
78Y84.6Confident84.2Confident16 Ų1677 Ų776%0.06341%0.412CS..G310 helixtrans-75.6-17.3178.3-64.7-78.5000112.8L73 S75 A76 Q80 N81 F83 V104 I118L73-Y78 HydrophobicContact CB-CE2 4.27Å; L73-Y78 WeakPolarHBondContact O-CE2 3.29Å; S75-Y78 WeakPolarHBondContact O-CD2 3.18Å; S75-Y78 PolarHBondContact O-N 3.43Å; A76-Y78 VanDerWaalsContact C-N 3.26Å; A76-Y78 PolarHBondContact O-N 3.45Å; Y78-Q80 PolarHBondContact O-N 3.35Å; Y78-Q80 VanDerWaalsContact O-N 3.12Å; Y78-N81 WeakPolarHBondContact O-CB 3.48Å; Y78-N81 PolarHBondContact O-N 2.75Å; Y78-N81 PolarHBondContact O-ND2 2.89Å; Y78-F83 HydrophobicContact CD1-CB 4.16Å; Y78-F83 AromaticContact CD1-CD2 3.39Å; Y78-F83 HydrophobicContact CD1-CD2 3.39Å; Y78-F83 AromaticContact CD1-CE2 3.74Å; Y78-F83 HydrophobicContact CD1-CE2 3.74Å; Y78-F83 AromaticContact CD1-CG 3.87Å; Y78-F83 HydrophobicContact CD1-CG 3.87Å; Y78-F83 HydrophobicContact CE1-CB 4.11Å; Y78-F83 HydrophobicContact CE1-CD2 4.14Å; Y78-F83 HydrophobicContact CE1-CG 4.15Å; Y78-F83 HydrophobicContact CG-CD2 4.35Å; Y78-F83 HydrophobicContact CG-CE2 4.41Å; Y78-F83 WeakPolarHBondContact O-CE2 3.47Å; Y78-V104 HydrophobicContact CD1-CG1 4.4Å; Y78-V104 HydrophobicContact CE1-CB 4.45Å; Y78-V104 HydrophobicContact CE1-CG1 3.56Å; Y78-V104 HydrophobicContact CE1-CG2 4.08Å; Y78-I118 HydrophobicContact CE2-CD1 3.9Å; Y78-I118 HydrophobicContact CE2-CG1 4.05Å
79L83.1Confident84.8Confident131 Ų13169.9 Ų69.969%0.68638%0.381SS*.THydrogen-bonded Turntrans47.642.9176.5-59.8176.4000113.2A76 C77 N81A76-L79 PolarHBondContact O-N 2.96Å; C77-L79 VanDerWaalsContact C-N 3.28Å; C77-L79 PolarHBondContact O-N 2.87Å; L79-N81 PolarHBondContact O-N 3.3Å; L79-N81 PolarHBondContact O-ND2 2.79Å; L79-N81 VanDerWaalsContact O-ND2 3.14Å
80Q82.9Confident85.8Confident149 Ų14966.2 Ų66.270%0.69636%0.357SS*.THydrogen-bonded Turntrans63.410.8-177.1-47.4177.213.800115.8Y78 L108Y78-Q80 PolarHBondContact O-N 3.35Å; Y78-Q80 VanDerWaalsContact O-N 3.12Å; Q80-L108 HydrophobicContact CG-CD1 4.41Å; Q80-L108 HydrophobicContact CG-CD2 4.24Å
81N89.5Confident86.8Confident72 Ų7264.6 Ų64.639%0.38534%0.341SS..  trans-90.2158.1173-59.9-79.1000111Y78 L79 F83Y78-N81 WeakPolarHBondContact O-CB 3.48Å; Y78-N81 PolarHBondContact O-N 2.75Å; Y78-N81 PolarHBondContact O-ND2 2.89Å; L79-N81 PolarHBondContact O-N 3.3Å; L79-N81 PolarHBondContact O-ND2 2.79Å; L79-N81 VanDerWaalsContact O-ND2 3.14Å; N81-F83 HydrophobicContact CB-CD2 4.12Å; N81-F83 HydrophobicContact CB-CE2 3.73Å
82V93Very high87.7Confident35 Ų3560.8 Ų60.821%0.21232%0.321CS..EExtended strand (participates in β ladder)trans-91.7133.9167-174.50000108.2L103 A105 F121 S176 L177V82-L103 HydrophobicContact CG1-CB 3.8Å; V82-L103 HydrophobicContact CG1-CD1 4.16Å; V82-L103 HydrophobicContact CG1-CD2 3.96Å; V82-L103 HydrophobicContact CG1-CG 4.18Å; V82-A105 HydrophobicContact CG2-CB 4.17Å; V82-F121 HydrophobicContact CG1-CZ 4Å; V82-S176 VanDerWaalsContact O-CB 3.23Å; V82-S176 WeakPolarHBondContact O-CB 3.37Å; V82-S176 PolarHBondContact O-OG 3.41Å; V82-L177 HydrophobicContact CG1-CD2 4.29Å; V82-L177 WeakPolarHBondContact O-CD2 3.45Å
83F94Very high88.2Confident25 Ų2561.3 Ų61.311%0.1133%0.332CS..EExtended strand (participates in β ladder)trans-117.1159.9176.9-76.1-111.9000110.4Y78 N81 L103 V104 L177 Y209Y78-F83 HydrophobicContact CD1-CB 4.16Å; Y78-F83 AromaticContact CD1-CD2 3.39Å; Y78-F83 HydrophobicContact CD1-CD2 3.39Å; Y78-F83 AromaticContact CD1-CE2 3.74Å; Y78-F83 HydrophobicContact CD1-CE2 3.74Å; Y78-F83 AromaticContact CD1-CG 3.87Å; Y78-F83 HydrophobicContact CD1-CG 3.87Å; Y78-F83 HydrophobicContact CE1-CB 4.11Å; Y78-F83 HydrophobicContact CE1-CD2 4.14Å; Y78-F83 HydrophobicContact CE1-CG 4.15Å; Y78-F83 HydrophobicContact CG-CD2 4.35Å; Y78-F83 HydrophobicContact CG-CE2 4.41Å; Y78-F83 WeakPolarHBondContact O-CE2 3.47Å; N81-F83 HydrophobicContact CB-CD2 4.12Å; N81-F83 HydrophobicContact CB-CE2 3.73Å; F83-L103 WeakPolarHBondContact O-CA 3.47Å; F83-V104 HydrophobicContact CB-CG1 3.66Å; F83-V104 PolarHBondContact N-O 2.66Å; F83-V104 PolarHBondContact O-N 2.87Å; F83-L177 VanDerWaalsContact C-CD2 3.42Å; F83-Y209 HydrophobicContact CD1-CD1 4.35Å; F83-Y209 HydrophobicContact CD1-CE1 4.32Å; F83-Y209 HydrophobicContact CE1-CD1 4.12Å; F83-Y209 HydrophobicContact CE1-CD2 4.36Å; F83-Y209 AromaticContact CE1-CE1 3.69Å; F83-Y209 HydrophobicContact CE1-CE1 3.69Å; F83-Y209 AromaticContact CE1-CE2 3.94Å; F83-Y209 HydrophobicContact CE1-CE2 3.94Å; F83-Y209 HydrophobicContact CE1-CG 4.43Å; F83-Y209 AromaticContact CE1-CZ 3.59Å
84L95.8Very high88.6Confident17 Ų1760.6 Ų60.69%0.08933%0.329CS..EExtended strand (participates in β ladder)trans-99.6122.4178.9-173.172.2000109.7R86 L87 L101 L103 L177 C211L84-R86 VanDerWaalsContact CD1-O 3.28Å; L84-R86 WeakPolarHBondContact CD1-O 3.43Å; L84-L87 HydrophobicContact CD1-CB 4.21Å; L84-L87 HydrophobicContact CD2-CB 3.93Å; L84-L87 HydrophobicContact CD2-CD1 4.39Å; L84-L101 HydrophobicContact CD1-CB 4.02Å; L84-L101 HydrophobicContact CD1-CD2 4.19Å; L84-L101 HydrophobicContact CD1-CG 4.43Å; L84-L103 HydrophobicContact CD1-CD2 3.89Å; L84-L177 HydrophobicContact CB-CB 4.26Å; L84-L177 HydrophobicContact CB-CD2 3.92Å; L84-L177 VanDerWaalsContact CD2-O 3.28Å; L84-L177 WeakPolarHBondContact CD2-O 3.27Å; L84-C211 HydrophobicContact CD2-CB 4.35Å; L84-C211 VanDerWaalsContact CD2-SG 3.55Å
85E94.3Very high89.3Confident109 Ų10959.2 Ų59.251%0.50932%0.321SS..EExtended strand (participates in β ladder)trans-83.2-43.8168.4-175.6-178.7-165.100110.3H102 L212E85-H102 HydrophobicContact CB-CB 4.41Å; E85-H102 PolarHBondContact N-O 3.07Å; E85-L212 WeakPolarHBondContact O-CD1 3.37Å
86R96.5Very high90.1Very high92 Ų9259.2 Ų59.235%0.34732%0.321SS..EExtended strand (participates in β ladder)trans-160.5150.8-178-168.3168.478.5152.4-3.6111.5L84 E88 H102 L212 E214L84-R86 VanDerWaalsContact CD1-O 3.28Å; L84-R86 WeakPolarHBondContact CD1-O 3.43Å; R86-E88 IonicContact CZ-OE1 2.67Å; R86-E88 IonicContact NE-OE1 3.12Å; R86-E88 IonicContact NH2-OE1 3.79Å; R86-E88 PolarHBondContact NH2-OE1 3.45Å; R86-H102 HydrophobicContact CB-CB 4.23Å; R86-H102 PolarHBondContact N-O 3.11Å; R86-H102 PolarHBondContact O-N 2.9Å; R86-L212 WeakPolarHBondContact CA-O 3.36Å; R86-E214 WeakPolarHBondContact CD-OE1 3.41Å; R86-E214 HydrophobicContact CG-CG 4.45Å; R86-E214 IonicContact CZ-OE2 2.68Å; R86-E214 IonicContact NE-OE2 3.3Å; R86-E214 IonicContact NH1-OE1 3.65Å; R86-E214 PolarHBondContact NH1-OE1 3.43Å; R86-E214 IonicContact NH1-OE2 3.6Å; R86-E214 PolarHBondContact NH1-OE2 2.74Å
87L98.6Very high91Very high0 Ų059.2 Ų59.20%032%0.315CS..EExtended strand (participates in β ladder)trans-129.2117.9173.4-173.8152.3000110.5L84 V89 L99 T100 L101 L195 L212 F213 E214L84-L87 HydrophobicContact CD1-CB 4.21Å; L84-L87 HydrophobicContact CD2-CB 3.93Å; L84-L87 HydrophobicContact CD2-CD1 4.39Å; L87-V89 HydrophobicContact CD2-CG2 3.45Å; L87-V89 VanDerWaalsContact CD2-CG2 3.45Å; L87-L99 HydrophobicContact CD1-CD2 4.22Å; L87-L99 HydrophobicContact CD2-CB 4.37Å; L87-L99 HydrophobicContact CD2-CD2 4.24Å; L87-L99 HydrophobicContact CD2-CG 4.12Å; L87-T100 CarbonylContact C-O 3.57Å; L87-T100 WeakPolarHBondContact CA-O 3.17Å; L87-L101 HydrophobicContact CD1-CD2 3.97Å; L87-L101 HydrophobicContact CD1-CG 3.96Å; L87-L101 HydrophobicContact CG-CG 4.33Å; L87-L195 HydrophobicContact CD1-CD2 4.17Å; L87-L195 HydrophobicContact CD2-CD1 4.29Å; L87-L212 PolarHBondContact N-O 2.83Å; L87-F213 HydrophobicContact CB-CB 4.41Å; L87-F213 HydrophobicContact CD2-CB 4.08Å; L87-F213 CarbonylContact O-C 3.54Å; L87-F213 WeakPolarHBondContact O-CA 3.23Å; L87-E214 PolarHBondContact O-N 2.86Å
88E98.3Very high91.7Very high51 Ų5157.8 Ų57.824%0.23830%0.303CS..EExtended strand (participates in β ladder)trans-93.9125.2175.1-64.9171.9-139.500109.1R86 L99 T100 H102R86-E88 IonicContact CZ-OE1 2.67Å; R86-E88 IonicContact NE-OE1 3.12Å; R86-E88 IonicContact NH2-OE1 3.79Å; R86-E88 PolarHBondContact NH2-OE1 3.45Å; E88-L99 WeakPolarHBondContact O-CA 3.07Å; E88-T100 PolarHBondContact N-O 3.34Å; E88-T100 PolarHBondContact O-N 3.33Å; E88-H102 IonicContact OE1-CD2 3.18Å; E88-H102 IonicContact OE1-CE1 2.76Å; E88-H102 IonicContact OE1-NE2 3.12Å; E88-H102 PolarHBondContact OE1-NE2 2.77Å
89V97.9Very high92.3Very high1 Ų157.1 Ų57.11%0.00630%0.3CS..EExtended strand (participates in β ladder)trans-94.8103.9173.9-178.50000108L87 R91 T96 L195 E214 I215 P216 L307L87-V89 HydrophobicContact CD2-CG2 3.45Å; L87-V89 VanDerWaalsContact CD2-CG2 3.45Å; V89-R91 HydrophobicContact CG1-CG 4.04Å; V89-T96 HydrophobicContact CG1-CG2 3.62Å; V89-L195 HydrophobicContact CG2-CD1 4.22Å; V89-E214 PolarHBondContact N-O 2.85Å; V89-I215 HydrophobicContact CB-CB 4.45Å; V89-I215 HydrophobicContact CB-CG1 3.8Å; V89-I215 HydrophobicContact CG1-CG1 4.3Å; V89-I215 HydrophobicContact CG2-CD1 4.44Å; V89-I215 HydrophobicContact CG2-CG1 3.58Å; V89-P216 WeakPolarHBondContact O-CD 3.15Å; V89-L307 HydrophobicContact CG1-CD1 3.81Å; V89-L307 HydrophobicContact CG1-CD2 4.43Å; V89-L307 HydrophobicContact CG2-CD1 3.96Å
90N96.4Very high93.1Very high51 Ų5152 Ų5227%0.27328%0.275SS..EExtended strand (participates in β ladder)trans-80.1131.9179.3-66.5-42.7000109.4T96 T97 D98 T100N90-T96 WeakPolarHBondContact O-CA 3.38Å; N90-T97 WeakPolarHBondContact CB-OG1 3.05Å; N90-T97 PolarHBondContact O-N 2.85Å; N90-T97 PolarHBondContact O-OG1 2.98Å; N90-T97 VanDerWaalsContact O-OG1 3.08Å; N90-D98 WeakPolarHBondContact CB-O 3.45Å; N90-D98 VanDerWaalsContact CB-OD1 3.3Å; N90-D98 WeakPolarHBondContact CB-OD1 3.44Å; N90-D98 PolarHBondContact N-O 3.35Å; N90-D98 PolarHBondContact ND2-OD2 3.34Å; N90-T100 PolarHBondContact ND2-OG1 2.9Å; N90-T100 VanDerWaalsContact ND2-OG1 3.1Å
91R92.4Very high93.8Very high39 Ų3945 Ų4515%0.14724%0.241CC..EExtended strand (participates in β ladder)trans-133.2140.6-174.5-53.7-167.173.1-145.8-3.3111.7V89 N94 S95 P216 Q289 D290V89-R91 HydrophobicContact CG1-CG 4.04Å; R91-N94 PolarHBondContact NH2-O 3.14Å; R91-S95 CarbonylContact C-O 3.58Å; R91-S95 VanDerWaalsContact CA-O 3.25Å; R91-S95 WeakPolarHBondContact CA-O 3.49Å; R91-P216 HydrophobicContact CG-CG 4.4Å; R91-Q289 VanDerWaalsContact NH1-OE1 3.11Å; R91-D290 IonicContact CZ-OD1 2.69Å; R91-D290 IonicContact NE-OD1 3.37Å; R91-D290 IonicContact NH2-OD1 3.6Å; R91-D290 PolarHBondContact NH2-OD1 3.25Å
92S89Confident94.2Very high65 Ų6543.4 Ų43.446%0.45523%0.232SC..EExtended strand (participates in β ladder)trans-131.3131.1175179.90000109.3N94 S95 T97S92-N94 VanDerWaalsContact C-N 3.29Å; S92-N94 PolarHBondContact O-N 3.23Å; S92-N94 VanDerWaalsContact O-N 3.08Å; S92-S95 PolarHBondContact N-O 2.78Å; S92-S95 PolarHBondContact O-N 2.94Å; S92-S95 VanDerWaalsContact O-O 3.06Å; S92-T97 VanDerWaalsContact CB-CG2 3.49Å
93V80.8Confident94.4Very high133 Ų13341.8 Ų41.881%0.80622%0.222SC*.THydrogen-bonded Turntrans39.156.8172.7-164.80000112.3S95V93-S95 VanDerWaalsContact C-N 3.32Å; V93-S95 PolarHBondContact O-N 3.38Å
94N82.8Confident94.3Very high89 Ų8941.1 Ų41.148%0.47622%0.22SC..THydrogen-bonded Turntrans70.612.8176.4-54.8-32.5000117R91 S92 Q289R91-N94 PolarHBondContact NH2-O 3.14Å; S92-N94 VanDerWaalsContact C-N 3.29Å; S92-N94 PolarHBondContact O-N 3.23Å; S92-N94 VanDerWaalsContact O-N 3.08Å; N94-Q289 HydrophobicContact CB-CG 4.09Å; N94-Q289 VanDerWaalsContact CB-NE2 3.26Å; N94-Q289 WeakPolarHBondContact O-CB 3.31Å; N94-Q289 PolarHBondContact O-OE1 3.03Å; N94-Q289 PolarHBondContact OD1-NE2 2.82Å
95S90.7Very high94Very high37 Ų3741 Ų4126%0.25922%0.221SC..EExtended strand (participates in β ladder)trans-128.4147.4174-171.30000110.7R91 S92 V93R91-S95 CarbonylContact C-O 3.58Å; R91-S95 VanDerWaalsContact CA-O 3.25Å; R91-S95 WeakPolarHBondContact CA-O 3.49Å; S92-S95 PolarHBondContact N-O 2.78Å; S92-S95 PolarHBondContact O-N 2.94Å; S92-S95 VanDerWaalsContact O-O 3.06Å; V93-S95 VanDerWaalsContact C-N 3.32Å; V93-S95 PolarHBondContact O-N 3.38Å
96T94.7Very high93.7Very high6 Ų637.8 Ų37.84%0.03721%0.206CC..EExtended strand (participates in β ladder)trans-71.4131.2169-53.20000109.5V89 N90 L99 F127 D290 L307V89-T96 HydrophobicContact CG1-CG2 3.62Å; N90-T96 WeakPolarHBondContact O-CA 3.38Å; T96-L99 HydrophobicContact CG2-CD1 3.82Å; T96-F127 HydrophobicContact CG2-CE2 4.18Å; T96-D290 WeakPolarHBondContact CA-OD2 3.45Å; T96-D290 WeakPolarHBondContact CB-OD2 3.33Å; T96-D290 PolarHBondContact N-OD2 3.09Å; T96-D290 PolarHBondContact OG1-OD2 3.27Å; T96-L307 HydrophobicContact CG2-CD1 4.28Å
97T94Very high92.9Very high61 Ų6135.5 Ų35.537%0.37420%0.201SC..EExtended strand (participates in β ladder)trans-92.5-50.6177.853.90000110.8N90 S92N90-T97 WeakPolarHBondContact CB-OG1 3.05Å; N90-T97 PolarHBondContact O-N 2.85Å; N90-T97 PolarHBondContact O-OG1 2.98Å; N90-T97 VanDerWaalsContact O-OG1 3.08Å; S92-T97 VanDerWaalsContact CB-CG2 3.49Å
98D96.1Very high91.8Very high35 Ų3540.3 Ų40.319%0.18723%0.226CC..EExtended strand (participates in β ladder)trans-161.7163.4-174.665.1-78.1000110.6N90 T100 L125 T126N90-D98 WeakPolarHBondContact CB-O 3.45Å; N90-D98 VanDerWaalsContact CB-OD1 3.3Å; N90-D98 WeakPolarHBondContact CB-OD1 3.44Å; N90-D98 PolarHBondContact N-O 3.35Å; N90-D98 PolarHBondContact ND2-OD2 3.34Å; D98-T100 PolarHBondContact OD2-OG1 2.82Å; D98-L125 CarbonylContact C-O 3.55Å; D98-L125 WeakPolarHBondContact CA-O 3.39Å; D98-T126 HydrophobicContact CB-CG2 3.53Å
99L98.3Very high90.7Very high1 Ų144.7 Ų44.71%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-112.3123174-7662.5000107.2L87 E88 T96 L101 S124 L125 F193 L195 L307L87-L99 HydrophobicContact CD1-CD2 4.22Å; L87-L99 HydrophobicContact CD2-CB 4.37Å; L87-L99 HydrophobicContact CD2-CD2 4.24Å; L87-L99 HydrophobicContact CD2-CG 4.12Å; E88-L99 WeakPolarHBondContact O-CA 3.07Å; T96-L99 HydrophobicContact CG2-CD1 3.82Å; L99-L101 HydrophobicContact CB-CD1 4.3Å; L99-L101 WeakPolarHBondContact O-CD1 3.42Å; L99-S124 CarbonylContact O-C 3.51Å; L99-S124 WeakPolarHBondContact O-CA 3.35Å; L99-L125 PolarHBondContact N-O 3.45Å; L99-L125 PolarHBondContact O-N 3.44Å; L99-F193 HydrophobicContact CD1-CD2 3.74Å; L99-F193 HydrophobicContact CD1-CE2 3.81Å; L99-F193 HydrophobicContact CD1-CG 4.44Å; L99-F193 HydrophobicContact CD2-CB 3.94Å; L99-F193 HydrophobicContact CD2-CD1 3.91Å; L99-F193 HydrophobicContact CD2-CD2 3.76Å; L99-F193 HydrophobicContact CD2-CE1 4.31Å; L99-F193 HydrophobicContact CD2-CE2 4.18Å; L99-F193 HydrophobicContact CD2-CG 3.6Å; L99-F193 HydrophobicContact CD2-CZ 4.42Å; L99-F193 HydrophobicContact CG-CD2 4.44Å; L99-L195 HydrophobicContact CD2-CD2 4.36Å; L99-L307 HydrophobicContact CD1-CD1 3.93Å; L99-L307 HydrophobicContact CD2-CD1 4.2Å; L99-L307 HydrophobicContact CG-CD1 4.23Å
100T98.5Very high89.3Confident25 Ų2547 Ų4715%0.15327%0.265CS..EExtended strand (participates in β ladder)trans-99.5114.3172.3-66.30000109.2L87 E88 N90 D98 T122L87-T100 CarbonylContact C-O 3.57Å; L87-T100 WeakPolarHBondContact CA-O 3.17Å; E88-T100 PolarHBondContact N-O 3.34Å; E88-T100 PolarHBondContact O-N 3.33Å; N90-T100 PolarHBondContact ND2-OG1 2.9Å; N90-T100 VanDerWaalsContact ND2-OG1 3.1Å; D98-T100 PolarHBondContact OD2-OG1 2.82Å; T100-T122 HydrophobicContact CG2-CG2 3.37Å
101L98.6Very high88Confident0 Ų049.6 Ų49.60%028%0.279CS..EExtended strand (participates in β ladder)trans-101.2121.3-177.8-56.893.4000110.2L84 L87 L99 L103 T122 R123 L125 L138 L179L84-L101 HydrophobicContact CD1-CB 4.02Å; L84-L101 HydrophobicContact CD1-CD2 4.19Å; L84-L101 HydrophobicContact CD1-CG 4.43Å; L87-L101 HydrophobicContact CD1-CD2 3.97Å; L87-L101 HydrophobicContact CD1-CG 3.96Å; L87-L101 HydrophobicContact CG-CG 4.33Å; L99-L101 HydrophobicContact CB-CD1 4.3Å; L99-L101 WeakPolarHBondContact O-CD1 3.42Å; L101-L103 HydrophobicContact CB-CD1 4.38Å; L101-L103 HydrophobicContact CB-CD2 3.97Å; L101-L103 HydrophobicContact CB-CG 4Å; L101-L103 HydrophobicContact CD2-CD2 4.4Å; L101-T122 CarbonylContact O-C 3.44Å; L101-T122 VanDerWaalsContact O-CA 3.29Å; L101-T122 WeakPolarHBondContact O-CA 3.5Å; L101-R123 PolarHBondContact N-O 3.38Å; L101-R123 PolarHBondContact O-N 2.89Å; L101-L125 HydrophobicContact CD1-CB 4.37Å; L101-L125 HydrophobicContact CD1-CD1 4.29Å; L101-L125 HydrophobicContact CD1-CG 4.05Å; L101-L138 HydrophobicContact CD1-CD2 4.49Å; L101-L138 HydrophobicContact CD2-CD2 3.87Å; L101-L179 HydrophobicContact CD2-CD2 3.97Å
102H97.9Very high86.8Confident39 Ų3954.2 Ų54.218%0.18131%0.314CS..EExtended strand (participates in β ladder)trans-93.1108.1170.1-60.5-84.3000108.4E85 R86 E88 T122E85-H102 HydrophobicContact CB-CB 4.41Å; E85-H102 PolarHBondContact N-O 3.07Å; R86-H102 HydrophobicContact CB-CB 4.23Å; R86-H102 PolarHBondContact N-O 3.11Å; R86-H102 PolarHBondContact O-N 2.9Å; E88-H102 IonicContact OE1-CD2 3.18Å; E88-H102 IonicContact OE1-CE1 2.76Å; E88-H102 IonicContact OE1-NE2 3.12Å; E88-H102 PolarHBondContact OE1-NE2 2.77Å; H102-T122 PolarHBondContact ND1-OG1 2.88Å
103L96Very high85.9Confident1 Ų157.1 Ų57.11%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-110.9146.6-167.6-60.1170.9000110.7V82 F83 L84 L101 L120 F121 R123 L138 L177V82-L103 HydrophobicContact CG1-CB 3.8Å; V82-L103 HydrophobicContact CG1-CD1 4.16Å; V82-L103 HydrophobicContact CG1-CD2 3.96Å; V82-L103 HydrophobicContact CG1-CG 4.18Å; F83-L103 WeakPolarHBondContact O-CA 3.47Å; L84-L103 HydrophobicContact CD1-CD2 3.89Å; L101-L103 HydrophobicContact CB-CD1 4.38Å; L101-L103 HydrophobicContact CB-CD2 3.97Å; L101-L103 HydrophobicContact CB-CG 4Å; L101-L103 HydrophobicContact CD2-CD2 4.4Å; L103-L120 WeakPolarHBondContact O-CA 3.48Å; L103-F121 HydrophobicContact CB-CD1 4.46Å; L103-F121 HydrophobicContact CB-CD2 4.22Å; L103-F121 HydrophobicContact CB-CE1 4.08Å; L103-F121 HydrophobicContact CB-CE2 3.84Å; L103-F121 HydrophobicContact CB-CZ 3.76Å; L103-F121 WeakPolarHBondContact CB-O 3.49Å; L103-F121 HydrophobicContact CD1-CD2 4.25Å; L103-F121 HydrophobicContact CD1-CE2 3.58Å; L103-F121 HydrophobicContact CD1-CZ 4.09Å; L103-F121 HydrophobicContact CG-CE2 4.35Å; L103-F121 PolarHBondContact N-O 3.14Å; L103-F121 PolarHBondContact O-N 2.88Å; L103-R123 HydrophobicContact CD1-CB 4.11Å; L103-R123 HydrophobicContact CD1-CG 3.86Å; L103-L138 HydrophobicContact CD1-CD2 3.93Å; L103-L177 HydrophobicContact CD2-CD1 4.29Å; L103-L177 HydrophobicContact CD2-CD2 3.75Å
104V92.6Very high85.5Confident12 Ų1259.2 Ų59.27%0.07332%0.323CS..EExtended strand (participates in β ladder)trans-127.1131.8177.466.10000109.8Y78 F83 I118 R119 L120Y78-V104 HydrophobicContact CD1-CG1 4.4Å; Y78-V104 HydrophobicContact CE1-CB 4.45Å; Y78-V104 HydrophobicContact CE1-CG1 3.56Å; Y78-V104 HydrophobicContact CE1-CG2 4.08Å; F83-V104 HydrophobicContact CB-CG1 3.66Å; F83-V104 PolarHBondContact N-O 2.66Å; F83-V104 PolarHBondContact O-N 2.87Å; V104-I118 HydrophobicContact CG2-CG2 3.19Å; V104-R119 WeakPolarHBondContact CA-O 3.35Å; V104-L120 HydrophobicContact CB-CD2 3.67Å; V104-L120 HydrophobicContact CG2-CD2 3.61Å
105A90.3Very high84.8Confident14 Ų1461.1 Ų61.112%0.11633%0.329CS..EExtended strand (participates in β ladder)trans-146.3159.7177.600000111.5V82 R119 F121V82-A105 HydrophobicContact CG2-CB 4.17Å; A105-R119 PolarHBondContact N-O 3.18Å; A105-R119 PolarHBondContact O-N 2.74Å; A105-F121 HydrophobicContact CB-CE1 3.97Å
106Q86.4Confident84.1Confident41 Ų4160.8 Ų60.819%0.19233%0.326CS..EExtended strand (participates in β ladder)trans-70130.4171.2-175.9-176.5-3.600110.4L108 P116Q106-L108 HydrophobicContact CG-CD2 4Å; Q106-L108 PolarHBondContact O-N 2.63Å; Q106-P116 HydrophobicContact CG-CB 3.67Å; Q106-P116 HydrophobicContact CG-CG 3.81Å
107D81.2Confident83.4Confident44 Ų4466.6 Ų66.624%0.23535%0.352CS..  trans-76.3106.9171.1-170.94.7000110.2N109 V110 P116 Q117D107-N109 VanDerWaalsContact C-N 3.31Å; D107-N109 WeakPolarHBondContact OD1-CB 3.45Å; D107-N109 PolarHBondContact OD1-N 2.86Å; D107-N109 PolarHBondContact OD1-ND2 2.77Å; D107-V110 HydrophobicContact CB-CG2 4.23Å; D107-P116 WeakPolarHBondContact O-CB 3.35Å; D107-Q117 WeakPolarHBondContact CB-O 3.2Å; D107-Q117 PolarHBondContact N-O 3.15Å
108L75.8Confident83Confident102 Ų10266 Ų6653%0.53435%0.346SS..THydrogen-bonded Turntrans-84.4-4179.1-59178.6000113.1Q80 Q106 V110Q80-L108 HydrophobicContact CG-CD1 4.41Å; Q80-L108 HydrophobicContact CG-CD2 4.24Å; Q106-L108 HydrophobicContact CG-CD2 4Å; Q106-L108 PolarHBondContact O-N 2.63Å; L108-V110 PolarHBondContact O-N 2.91Å
109N74.3Confident82.7Confident142 Ų14270.9 Ų70.976%0.75936%0.362SS*.THydrogen-bonded Turntrans-81.6-0.2-179.1-62.5-48.5000113.6D107D107-N109 VanDerWaalsContact C-N 3.31Å; D107-N109 WeakPolarHBondContact OD1-CB 3.45Å; D107-N109 PolarHBondContact OD1-N 2.86Å; D107-N109 PolarHBondContact OD1-ND2 2.77Å
110V67.6Low82.4Confident49 Ų4975.7 Ų75.730%0.29739%0.387SS..SBendtrans-93.7144.2-175.8-162.30000110.6D107 L108 R114D107-V110 HydrophobicContact CB-CG2 4.23Å; L108-V110 PolarHBondContact O-N 2.91Å; V110-R114 HydrophobicContact CG1-CB 4.18Å
111N69.8Low82.2Confident107 Ų10776.6 Ų76.657%0.57239%0.389SS*.  trans-40.2131.5173.9-82.1-34.6000111.8T113 R114N111-T113 PolarHBondContact O-N 2.84Å; N111-R114 PolarHBondContact O-N 3.06Å
112P67.6Low82.2Confident135 Ų13580.2 Ų80.288%0.87741%0.412SS*.THydrogen-bonded Turntrans-62.6-9.1-178.125.7-34.9000113.9
113T70.7Confident82.2Confident126 Ų12683.8 Ų83.877%0.77342%0.423SS*.THydrogen-bonded Turntrans-86.5-11.2176.557.20000113.8N111N111-T113 PolarHBondContact O-N 2.84Å
114R70.7Confident82.3Confident178 Ų17887.2 Ų87.267%0.67245%0.447SS*.SBendtrans-107.8147.1176.1-69.3-171.6176.6-174.9-0.6109.9V110 N111 P116V110-R114 HydrophobicContact CG1-CB 4.18Å; N111-R114 PolarHBondContact O-N 3.06Å; R114-P116 WeakPolarHBondContact O-CD 3.27Å; R114-P116 VanDerWaalsContact O-N 3.17Å
115E69.8Low82.6Confident129 Ų12986.7 Ų86.760%0.60344%0.444SS*.PPolyproline II helixtrans-59121.3168.3-170.9169.5-167.300108.2Q117E115-Q117 PolarHBondContact O-N 2.68Å; E115-Q117 PolarHBondContact O-NE2 3.12Å
116P74.3Confident82.9Confident30 Ų3088.4 Ų88.420%0.19545%0.453CS..PPolyproline II helixtrans-62.5139.9-176.717.6-21.7000108.8S75 Q106 D107 R114S75-P116 WeakPolarHBondContact CB-O 3.41Å; S75-P116 PolarHBondContact OG-O 3.24Å; Q106-P116 HydrophobicContact CG-CB 3.67Å; Q106-P116 HydrophobicContact CG-CG 3.81Å; D107-P116 WeakPolarHBondContact O-CB 3.35Å; R114-P116 WeakPolarHBondContact O-CD 3.27Å; R114-P116 VanDerWaalsContact O-N 3.17Å
117Q81.8Confident83.4Confident128 Ų12888.1 Ų88.160%0.59845%0.451SS*.PPolyproline II helixtrans-77.5162.1179.5-64.3-61.5-60.700110.3D107 E115D107-Q117 WeakPolarHBondContact CB-O 3.2Å; D107-Q117 PolarHBondContact N-O 3.15Å; E115-Q117 PolarHBondContact O-N 2.68Å; E115-Q117 PolarHBondContact O-NE2 3.12Å
118I85.8Confident84.1Confident48 Ų4887.6 Ų87.625%0.24646%0.457CS..EExtended strand (participates in β ladder)trans-87.6135.4171-62.6173.1000107.9E72 L73 Y78 V104E72-I118 HydrophobicContact CB-CD1 4.23Å; L73-I118 VanDerWaalsContact O-CD1 3.28Å; L73-I118 WeakPolarHBondContact O-CD1 3.43Å; Y78-I118 HydrophobicContact CE2-CD1 3.9Å; Y78-I118 HydrophobicContact CE2-CG1 4.05Å; V104-I118 HydrophobicContact CG2-CG2 3.19Å
119R88.3Confident85.1Confident137 Ų13784.1 Ų84.152%0.51744%0.439SS..EExtended strand (participates in β ladder)trans-112.7122.1174.5-174.4-178.9178.3-177.30.6109.6V104 A105 F121V104-R119 WeakPolarHBondContact CA-O 3.35Å; A105-R119 PolarHBondContact N-O 3.18Å; A105-R119 PolarHBondContact O-N 2.74Å; R119-F121 HydrophobicContact CG-CD1 4.2Å
120L91.9Very high86.2Confident102 Ų10279.3 Ų79.353%0.53442%0.416SS..EExtended strand (participates in β ladder)trans-97.9135.8170.2-62.4169.6000109.5L103 V104L103-L120 WeakPolarHBondContact O-CA 3.48Å; V104-L120 HydrophobicContact CB-CD2 3.67Å; V104-L120 HydrophobicContact CG2-CD2 3.61Å
121F95.2Very high87.7Confident44 Ų4478.5 Ų78.519%0.19341%0.411CS..EExtended strand (participates in β ladder)trans-157.1152.2177.560.2-79.2000111.1V82 L103 A105 R119 R123V82-F121 HydrophobicContact CG1-CZ 4Å; L103-F121 HydrophobicContact CB-CD1 4.46Å; L103-F121 HydrophobicContact CB-CD2 4.22Å; L103-F121 HydrophobicContact CB-CE1 4.08Å; L103-F121 HydrophobicContact CB-CE2 3.84Å; L103-F121 HydrophobicContact CB-CZ 3.76Å; L103-F121 WeakPolarHBondContact CB-O 3.49Å; L103-F121 HydrophobicContact CD1-CD2 4.25Å; L103-F121 HydrophobicContact CD1-CE2 3.58Å; L103-F121 HydrophobicContact CD1-CZ 4.09Å; L103-F121 HydrophobicContact CG-CE2 4.35Å; L103-F121 PolarHBondContact N-O 3.14Å; L103-F121 PolarHBondContact O-N 2.88Å; A105-F121 HydrophobicContact CB-CE1 3.97Å; R119-F121 HydrophobicContact CG-CD1 4.2Å; F121-R123 HydrophobicContact CD2-CG 3.98Å; F121-R123 HydrophobicContact CE2-CG 4.07Å
122T98Very high89Confident77 Ų7780.2 Ų80.247%0.47242%0.416SS..EExtended strand (participates in β ladder)trans-108.2140.6-178.6-51.10000110.3T100 L101 H102T100-T122 HydrophobicContact CG2-CG2 3.37Å; L101-T122 CarbonylContact O-C 3.44Å; L101-T122 VanDerWaalsContact O-CA 3.29Å; L101-T122 WeakPolarHBondContact O-CA 3.5Å; H102-T122 PolarHBondContact ND1-OG1 2.88Å
123R98.1Very high90.5Very high113 Ų11377.5 Ų77.543%0.42639%0.394SS..EExtended strand (participates in β ladder)trans-133.9150173.4-64-65.5-173.1168.43.7109.3L101 L103 F121 A137L101-R123 PolarHBondContact N-O 3.38Å; L101-R123 PolarHBondContact O-N 2.89Å; L103-R123 HydrophobicContact CD1-CB 4.11Å; L103-R123 HydrophobicContact CD1-CG 3.86Å; F121-R123 HydrophobicContact CD2-CG 3.98Å; F121-R123 HydrophobicContact CE2-CG 4.07Å; R123-A137 HydrophobicContact CB-CB 4.21Å; R123-A137 HydrophobicContact CG-CB 4.41Å; R123-A137 WeakPolarHBondContact CG-O 3.34Å
124S98Very high91.8Very high73 Ų7371.5 Ų71.551%0.5136%0.357SS..EExtended strand (participates in β ladder)trans-114148.4171.554.70000110.4L99L99-S124 CarbonylContact O-C 3.51Å; L99-S124 WeakPolarHBondContact O-CA 3.35Å
125L98.3Very high93.1Very high1 Ų166.1 Ų66.11%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-129140.3169.2-68.7-177.7000109.5D98 L99 L101 D129 V134 A137 L138 F193D98-L125 CarbonylContact C-O 3.55Å; D98-L125 WeakPolarHBondContact CA-O 3.39Å; L99-L125 PolarHBondContact N-O 3.45Å; L99-L125 PolarHBondContact O-N 3.44Å; L101-L125 HydrophobicContact CD1-CB 4.37Å; L101-L125 HydrophobicContact CD1-CD1 4.29Å; L101-L125 HydrophobicContact CD1-CG 4.05Å; L125-D129 WeakPolarHBondContact CA-OD2 3.48Å; L125-V134 HydrophobicContact CD1-CG1 4.41Å; L125-V134 HydrophobicContact CD2-CB 4.49Å; L125-V134 HydrophobicContact CD2-CG2 4.08Å; L125-A137 HydrophobicContact CD2-CB 3.76Å; L125-L138 HydrophobicContact CD1-CD1 3.63Å; L125-L138 HydrophobicContact CD1-CD2 4.39Å; L125-L138 HydrophobicContact CD1-CG 4.02Å; L125-F193 HydrophobicContact CB-CE1 4.14Å; L125-F193 HydrophobicContact CB-CZ 3.89Å; L125-F193 HydrophobicContact CD1-CE1 4.03Å
126T97.1Very high94.3Very high50 Ų5063.5 Ų63.531%0.30734%0.337SS..EExtended strand (participates in β ladder)trans-122.7162.5176.776.60000111.2D98 D129D98-T126 HydrophobicContact CB-CG2 3.53Å; T126-D129 PolarHBondContact N-OD2 3.31Å; T126-D129 WeakPolarHBondContact O-CB 3.39Å; T126-D129 VanDerWaalsContact O-CG 3.23Å; T126-D129 PolarHBondContact O-N 3.17Å; T126-D129 PolarHBondContact OG1-OD1 3.07Å
127F96.7Very high95.4Very high35 Ų3562.8 Ų62.815%0.15433%0.334CS..THydrogen-bonded Turntrans-68.7140.3168.2-62.5-67.7000110.6T96 D129 V190 F193 L307 T309T96-F127 HydrophobicContact CG2-CE2 4.18Å; F127-D129 VanDerWaalsContact C-N 3.34Å; F127-V190 HydrophobicContact CD1-CG1 4.36Å; F127-F193 HydrophobicContact CD1-CD2 4.08Å; F127-F193 AromaticContact CD1-CE2 3.78Å; F127-F193 HydrophobicContact CD1-CE2 3.78Å; F127-F193 AromaticContact CE1-CD2 3.52Å; F127-F193 HydrophobicContact CE1-CD2 3.52Å; F127-F193 AromaticContact CE1-CE2 3.71Å; F127-F193 HydrophobicContact CE1-CE2 3.71Å; F127-F193 HydrophobicContact CG-CE2 4.4Å; F127-F193 AromaticContact CZ-CD2 3.99Å; F127-F193 HydrophobicContact CZ-CD2 3.99Å; F127-F193 HydrophobicContact CZ-CE2 4.29Å; F127-L307 HydrophobicContact CZ-CB 4Å; F127-T309 HydrophobicContact CB-CG2 3.19Å; F127-T309 HydrophobicContact CD1-CG2 3.54Å; F127-T309 HydrophobicContact CD2-CG2 3.64Å; F127-T309 HydrophobicContact CE1-CG2 4.23Å; F127-T309 HydrophobicContact CE2-CG2 4.29Å; F127-T309 HydrophobicContact CG-CG2 3.19Å
128G95.8Very high96.1Very high34 Ų3457 Ų5735%0.35131%0.307SS..THydrogen-bonded Turntrans90.3-8.3-173.200000114.2E189 V190G128-E189 WeakPolarHBondContact O-CG 3.26Å; G128-V190 PolarHBondContact N-O 2.84Å
129D97.8Very high96.5Very high29 Ų2956.3 Ų56.316%0.15531%0.311CS..  trans-57.4141.7174.1-77.21.4000110.7L125 T126 F127 D133 V134 E189 V190L125-D129 WeakPolarHBondContact CA-OD2 3.48Å; T126-D129 PolarHBondContact N-OD2 3.31Å; T126-D129 WeakPolarHBondContact O-CB 3.39Å; T126-D129 VanDerWaalsContact O-CG 3.23Å; T126-D129 PolarHBondContact O-N 3.17Å; T126-D129 PolarHBondContact OG1-OD1 3.07Å; F127-D129 VanDerWaalsContact C-N 3.34Å; D129-D133 HydrophobicContact CB-CB 4.11Å; D129-V134 HydrophobicContact CB-CG2 4.31Å; D129-E189 CarbonylContact O-C 3.6Å; D129-E189 VanDerWaalsContact O-CA 3.28Å; D129-E189 WeakPolarHBondContact O-CA 3.24Å; D129-V190 HydrophobicContact CB-CG2 4.02Å; D129-V190 WeakPolarHBondContact O-CG2 3.32Å; D129-V190 PolarHBondContact O-N 2.86Å
130S97.8Very high96.8Very high40 Ų4054.9 Ų54.928%0.2832%0.322SS..BIsolated β-bridgetrans-76.5164.9176.774.10000111.4Q132 D133 V134S130-Q132 PolarHBondContact O-N 2.91Å; S130-Q132 PolarHBondContact OG-N 3.08Å; S130-D133 VanDerWaalsContact CB-OD2 3.32Å; S130-D133 WeakPolarHBondContact CB-OD2 3.31Å; S130-D133 PolarHBondContact N-OD2 2.72Å; S130-D133 PolarHBondContact O-N 3.26Å; S130-D133 VanDerWaalsContact O-N 3.11Å; S130-D133 VanDerWaalsContact OG-CG 3.22Å; S130-D133 PolarHBondContact OG-N 2.83Å; S130-D133 PolarHBondContact OG-OD2 2.85Å; S130-V134 PolarHBondContact O-N 2.86Å; S130-V134 VanDerWaalsContact O-N 3.12Å
131V97.9Very high97.1Very high32 Ų3251.3 Ų51.319%0.19431%0.305CS..Hα-helixtrans-51.8-39.4169.2175.70000111.9V134 L135 Y170 F172 F183 H188V131-V134 PolarHBondContact O-N 2.93Å; V131-L135 HydrophobicContact CG1-CD1 3.76Å; V131-L135 HydrophobicContact CG1-CG 4.2Å; V131-L135 WeakPolarHBondContact O-CB 3.37Å; V131-L135 VanDerWaalsContact O-CG 3.24Å; V131-L135 WeakPolarHBondContact O-CG 3.07Å; V131-L135 PolarHBondContact O-N 2.94Å; V131-Y170 HydrophobicContact CG2-CE2 4.34Å; V131-Y170 WeakPolarHBondContact CG2-OH 3.45Å; V131-F172 HydrophobicContact CG1-CE2 3.88Å; V131-F172 HydrophobicContact CG1-CZ 3.76Å; V131-F183 HydrophobicContact CB-CE1 4.37Å; V131-F183 HydrophobicContact CG2-CD1 3.77Å; V131-F183 HydrophobicContact CG2-CE1 3.82Å; V131-F183 HydrophobicContact CG2-CG 4.27Å; V131-F183 HydrophobicContact CG2-CZ 4.37Å; V131-H188 HydrophobicContact CG2-CB 4.13Å; V131-H188 PolarHBondContact N-O 3.26Å
132Q97.9Very high97.1Very high143 Ų14352.2 Ų52.267%0.66832%0.317SS*.Hα-helixtrans-67.5-38.1-178.9-178.6173.6-10.300111.6S130 L135 S136S130-Q132 PolarHBondContact O-N 2.91Å; S130-Q132 PolarHBondContact OG-N 3.08Å; Q132-L135 PolarHBondContact O-N 2.87Å; Q132-S136 VanDerWaalsContact O-CB 3.24Å; Q132-S136 WeakPolarHBondContact O-CB 3.18Å; Q132-S136 PolarHBondContact O-N 2.85Å; Q132-S136 PolarHBondContact O-OG 3.43Å
133D98.3Very high97.1Very high79 Ų7955.9 Ų55.942%0.42232%0.322SS..Hα-helixtrans-64.7-46.2177.6-59-47000110.4D129 S130 L135 S136 A137D129-D133 HydrophobicContact CB-CB 4.11Å; S130-D133 VanDerWaalsContact CB-OD2 3.32Å; S130-D133 WeakPolarHBondContact CB-OD2 3.31Å; S130-D133 PolarHBondContact N-OD2 2.72Å; S130-D133 PolarHBondContact O-N 3.26Å; S130-D133 VanDerWaalsContact O-N 3.11Å; S130-D133 VanDerWaalsContact OG-CG 3.22Å; S130-D133 PolarHBondContact OG-N 2.83Å; S130-D133 PolarHBondContact OG-OD2 2.85Å; D133-L135 PolarHBondContact O-N 3.3Å; D133-S136 PolarHBondContact O-N 2.76Å; D133-A137 WeakPolarHBondContact O-CB 3.49Å; D133-A137 PolarHBondContact O-N 3.32Å
134V98.3Very high97Very high0 Ų053.1 Ų53.10%032%0.318CS..Hα-helixtrans-62.2-45.4177.1179.20000111.7L125 D129 S130 V131 S136 A137 L138 Y174 V181 F183 V190L125-V134 HydrophobicContact CD1-CG1 4.41Å; L125-V134 HydrophobicContact CD2-CB 4.49Å; L125-V134 HydrophobicContact CD2-CG2 4.08Å; D129-V134 HydrophobicContact CB-CG2 4.31Å; S130-V134 PolarHBondContact O-N 2.86Å; S130-V134 VanDerWaalsContact O-N 3.12Å; V131-V134 PolarHBondContact O-N 2.93Å; V134-S136 VanDerWaalsContact C-N 3.32Å; V134-S136 PolarHBondContact O-N 3.35Å; V134-A137 PolarHBondContact O-N 2.84Å; V134-L138 HydrophobicContact CG1-CD1 4.31Å; V134-L138 PolarHBondContact O-N 3.46Å; V134-Y174 HydrophobicContact CG1-CE2 4.28Å; V134-V181 HydrophobicContact CG1-CG2 4.37Å; V134-V181 HydrophobicContact CG2-CG1 4.43Å; V134-F183 HydrophobicContact CB-CE1 4.37Å; V134-F183 HydrophobicContact CB-CZ 3.89Å; V134-F183 HydrophobicContact CG1-CZ 4.03Å; V134-F183 HydrophobicContact CG2-CE1 3.86Å; V134-F183 HydrophobicContact CG2-CZ 3.72Å; V134-V190 HydrophobicContact CG2-CG2 3.51Å
135L97.8Very high96.8Very high64 Ų6453.8 Ų53.834%0.33531%0.312SS..Hα-helixtrans-63.8-36.9176.2-72.3174.1000112.2V131 Q132 D133 A137 G139 F172V131-L135 HydrophobicContact CG1-CD1 3.76Å; V131-L135 HydrophobicContact CG1-CG 4.2Å; V131-L135 WeakPolarHBondContact O-CB 3.37Å; V131-L135 VanDerWaalsContact O-CG 3.24Å; V131-L135 WeakPolarHBondContact O-CG 3.07Å; V131-L135 PolarHBondContact O-N 2.94Å; Q132-L135 PolarHBondContact O-N 2.87Å; D133-L135 PolarHBondContact O-N 3.3Å; L135-A137 VanDerWaalsContact C-N 3.33Å; L135-G139 WeakPolarHBondContact CD2-O 3.49Å; L135-G139 WeakPolarHBondContact O-CA 3.27Å; L135-G139 PolarHBondContact O-N 2.72Å; L135-F172 HydrophobicContact CD2-CD2 4.47Å; L135-F172 HydrophobicContact CD2-CE2 3.8Å; L135-F172 HydrophobicContact CG-CE2 4.04Å
136S96.4Very high96.4Very high75 Ų7560.7 Ų60.752%0.52434%0.339SS..Hα-helixtrans-71.1-31.7178.7-59.50000112.1Q132 D133 V134Q132-S136 VanDerWaalsContact O-CB 3.24Å; Q132-S136 WeakPolarHBondContact O-CB 3.18Å; Q132-S136 PolarHBondContact O-N 2.85Å; Q132-S136 PolarHBondContact O-OG 3.43Å; D133-S136 PolarHBondContact O-N 2.76Å; V134-S136 VanDerWaalsContact C-N 3.32Å; V134-S136 PolarHBondContact O-N 3.35Å
137A96.7Very high95.8Very high14 Ų1461.7 Ų61.712%0.11634%0.339CS..Hα-helixtrans-78.5-50.6177.300000112.3R123 L125 D133 V134 L135R123-A137 HydrophobicContact CB-CB 4.21Å; R123-A137 HydrophobicContact CG-CB 4.41Å; R123-A137 WeakPolarHBondContact CG-O 3.34Å; L125-A137 HydrophobicContact CD2-CB 3.76Å; D133-A137 WeakPolarHBondContact O-CB 3.49Å; D133-A137 PolarHBondContact O-N 3.32Å; V134-A137 PolarHBondContact O-N 2.84Å; L135-A137 VanDerWaalsContact C-N 3.33Å
138L96.2Very high94.7Very high8 Ų865 Ų654%0.04236%0.362CS..Hα-helixtrans-107-15.3-168-55.6-171.3000114.5L101 L103 L125 V134 Y174 L177 L179L101-L138 HydrophobicContact CD1-CD2 4.49Å; L101-L138 HydrophobicContact CD2-CD2 3.87Å; L103-L138 HydrophobicContact CD1-CD2 3.93Å; L125-L138 HydrophobicContact CD1-CD1 3.63Å; L125-L138 HydrophobicContact CD1-CD2 4.39Å; L125-L138 HydrophobicContact CD1-CG 4.02Å; V134-L138 HydrophobicContact CG1-CD1 4.31Å; V134-L138 PolarHBondContact O-N 3.46Å; L138-Y174 HydrophobicContact CB-CD1 4.31Å; L138-Y174 HydrophobicContact CB-CE1 3.65Å; L138-Y174 HydrophobicContact CB-CE2 4.48Å; L138-Y174 HydrophobicContact CD1-CD2 4.08Å; L138-Y174 HydrophobicContact CD1-CE1 4.31Å; L138-Y174 HydrophobicContact CD1-CE2 3.85Å; L138-Y174 HydrophobicContact CD1-CG 4.42Å; L138-L177 HydrophobicContact CD1-CD1 4.07Å; L138-L177 HydrophobicContact CD2-CD1 4.21Å; L138-L179 HydrophobicContact CD1-CD2 3.93Å
139G94.4Very high93.2Very high32 Ų3270.1 Ų70.133%0.3338%0.377SS..  trans80.8-169.6-168.300000112.9L135 Y174L135-G139 WeakPolarHBondContact CD2-O 3.49Å; L135-G139 WeakPolarHBondContact O-CA 3.27Å; L135-G139 PolarHBondContact O-N 2.72Å; G139-Y174 WeakPolarHBondContact O-CE1 3.25Å; G139-Y174 PolarHBondContact O-OH 2.84Å
140S95.4Very high91.6Very high107 Ų10771.8 Ų71.875%0.74839%0.386SS*.SBendtrans-66.6138.5-178.6-60.40000111.9
141P97Very high90.1Very high28 Ų2877.3 Ų77.318%0.18241%0.405CS..  trans-68.3152.9174.231.2-37.1000111.3R143 V144 F172 Y174P141-R143 VanDerWaalsContact C-N 3.27Å; P141-R143 PolarHBondContact O-N 3.2Å; P141-V144 HydrophobicContact CG-CG2 3.87Å; P141-F172 HydrophobicContact CB-CB 3.75Å; P141-F172 HydrophobicContact CB-CD1 4.48Å; P141-F172 HydrophobicContact CB-CD2 4.2Å; P141-F172 HydrophobicContact CB-CG 3.9Å; P141-F172 HydrophobicContact CG-CB 4.15Å; P141-F172 HydrophobicContact CG-CD1 3.97Å; P141-F172 HydrophobicContact CG-CD2 3.83Å; P141-F172 HydrophobicContact CG-CE1 4.31Å; P141-F172 HydrophobicContact CG-CE2 4.19Å; P141-F172 HydrophobicContact CG-CG 3.71Å; P141-F172 HydrophobicContact CG-CZ 4.41Å; P141-Y174 HydrophobicContact CB-CE1 4.27Å; P141-Y174 HydrophobicContact CB-CE2 4.23Å
142S95.7Very high88.5Confident62 Ų6281.9 Ų81.943%0.43443%0.426SS..SBendtrans-67.5-32.4174.1-49.70000111.7N173S142-N173 WeakPolarHBondContact CB-O 3.38Å; S142-N173 PolarHBondContact N-O 3.32Å
143R96.9Very high86.8Confident154 Ų15477.8 Ų77.858%0.58141%0.405SS*.EExtended strand (participates in β ladder)trans-151.2149.8177.4-173.2174-178.8174.80.3110.8P141 N173 F175P141-R143 VanDerWaalsContact C-N 3.27Å; P141-R143 PolarHBondContact O-N 3.2Å; R143-N173 HydrophobicContact CB-CB 4.18Å; R143-N173 PolarHBondContact N-O 3.11Å; R143-N173 PolarHBondContact O-N 2.82Å; R143-N173 PolarHBondContact O-OD1 3.35Å; R143-F175 HydrophobicContact CB-CE2 3.96Å; R143-F175 HydrophobicContact CB-CZ 3.85Å
144V96.5Very high85.2Confident56 Ų5679.6 Ų79.634%0.33941%0.414SS..EExtended strand (participates in β ladder)trans-110.5131167.8-177.40000108.6P141 Y146 Y170 F171 F172P141-V144 HydrophobicContact CG-CG2 3.87Å; V144-Y146 HydrophobicContact CG1-CE2 3.95Å; V144-Y170 HydrophobicContact CG1-CD2 4.32Å; V144-F171 VanDerWaalsContact CA-O 3.3Å; V144-F171 WeakPolarHBondContact CA-O 3.38Å; V144-F172 HydrophobicContact CG1-CD1 4.23Å; V144-F172 HydrophobicContact CG1-CE1 4.2Å; V144-F172 HydrophobicContact CG2-CD1 3.83Å; V144-F172 HydrophobicContact CG2-CE1 3.78Å
145F93.5Very high83.8Confident87 Ų8786.4 Ų86.438%0.38245%0.446SS..EExtended strand (participates in β ladder)trans-124.6123177.8175.6-98000110.7Y170 F171F145-Y170 CarbonylContact O-C 3.58Å; F145-Y170 VanDerWaalsContact O-CA 3.27Å; F145-Y170 WeakPolarHBondContact O-CA 3.49Å; F145-F171 HydrophobicContact CB-CB 4.38Å; F145-F171 AromaticContact CD1-CD2 3.91Å; F145-F171 HydrophobicContact CD1-CD2 3.91Å; F145-F171 PolarHBondContact N-O 2.97Å; F145-F171 PolarHBondContact O-N 3.12Å
146Y91Very high82.5Confident145 Ų14586.8 Ų86.857%0.56945%0.448SS*.EExtended strand (participates in β ladder)trans-87.5124.6175.6-64.3-89.2000109.5V144 T148 Y170V144-Y146 HydrophobicContact CG1-CE2 3.95Å; Y146-T148 PolarHBondContact O-N 3.33Å; Y146-T148 VanDerWaalsContact O-N 3.1Å; Y146-Y170 HydrophobicContact CD1-CG 4.35Å; Y146-Y170 HydrophobicContact CE1-CD1 4.31Å; Y146-Y170 HydrophobicContact CE1-CG 4.12Å
147K84.1Confident81.6Confident71 Ų7187 Ų8731%0.30945%0.447SS..  trans-61.9113.9176.7-170.9-178.3178-170.50108.7S168 D169 F171K147-S168 WeakPolarHBondContact O-CB 3.25Å; K147-D169 HydrophobicContact CB-CB 4.35Å; K147-D169 WeakPolarHBondContact CB-O 2.98Å; K147-D169 HydrophobicContact CD-CB 4.47Å; K147-D169 PolarHBondContact N-O 2.78Å; K147-F171 HydrophobicContact CB-CE2 4.38Å
148T73.4Confident80.5Confident105 Ų10592.7 Ų92.764%0.64447%0.471SS*.  trans-75.3164.6171.548.70000110.6Y146 D150Y146-T148 PolarHBondContact O-N 3.33Å; Y146-T148 VanDerWaalsContact O-N 3.1Å; T148-D150 PolarHBondContact O-N 3.11Å
149E63.8Low79.5Confident141 Ų14196.1 Ų96.166%0.65950%0.496SS*.  trans-30.9127.1-171.4-66.2-174.9161.900114.8K151E149-K151 PolarHBondContact O-N 3.49Å; E149-K151 VanDerWaalsContact O-N 3.09Å
150D65.9Low78.2Confident64 Ų64100.2 Ų100.234%0.34251%0.506SS..  trans-61.9112.1176.5175.411.9000111T148 M152 K153T148-D150 PolarHBondContact O-N 3.11Å; D150-M152 PolarHBondContact O-N 3.41Å; D150-M152 WeakPolarHBondContact OD1-CB 3.39Å; D150-M152 PolarHBondContact OD1-N 2.74Å; D150-K153 HydrophobicContact CB-CD 4.13Å; D150-K153 HydrophobicContact CB-CG 3.88Å; D150-K153 WeakPolarHBondContact O-CB 3.23Å; D150-K153 VanDerWaalsContact O-CG 3.32Å; D150-K153 WeakPolarHBondContact O-CG 3.44Å; D150-K153 PolarHBondContact O-N 3.16Å
151K65.6Low76.8Confident157 Ų157101 Ų10168%0.68349%0.493SS*.G310 helixtrans-63.3-24.2-178.5-60.9-60.5-177-171.60112.7E149 K153 I154E149-K151 PolarHBondContact O-N 3.49Å; E149-K151 VanDerWaalsContact O-N 3.09Å; K151-K153 PolarHBondContact O-N 3.31Å; K151-I154 WeakPolarHBondContact O-CG1 3.47Å; K151-I154 PolarHBondContact O-N 3.08Å
152M63.7Low75.3Confident128 Ų128106.1 Ų106.163%0.63152%0.518SS*.G310 helixtrans-69.1-19.6175-67.3-60.7-67.300112.5D150 I154 H155D150-M152 PolarHBondContact O-N 3.41Å; D150-M152 WeakPolarHBondContact OD1-CB 3.39Å; D150-M152 PolarHBondContact OD1-N 2.74Å; M152-I154 PolarHBondContact O-N 3.34Å; M152-H155 PolarHBondContact O-N 3.4Å
153K62.9Low73.9Confident56 Ų56108 Ų10824%0.24353%0.527CS..G310 helixtrans-58.5-23178.1-69.4-176.3170.8-172.80113.3D150 K151 H155 L156 R161D150-K153 HydrophobicContact CB-CD 4.13Å; D150-K153 HydrophobicContact CB-CG 3.88Å; D150-K153 WeakPolarHBondContact O-CB 3.23Å; D150-K153 VanDerWaalsContact O-CG 3.32Å; D150-K153 WeakPolarHBondContact O-CG 3.44Å; D150-K153 PolarHBondContact O-N 3.16Å; K151-K153 PolarHBondContact O-N 3.31Å; K153-H155 PolarHBondContact O-N 3.03Å; K153-H155 VanDerWaalsContact O-N 3.13Å; K153-L156 HydrophobicContact CB-CD1 4.07Å; K153-L156 HydrophobicContact CG-CD1 3.8Å; K153-L156 WeakPolarHBondContact O-CB 3.34Å; K153-L156 PolarHBondContact O-N 3.15Å; K153-R161 WeakPolarHBondContact O-CD 3.13Å; K153-R161 WeakPolarHBondContact O-CG 3.14Å
154I63.3Low72.2Confident117 Ų117107.7 Ų107.760%0.653%0.532SS*.G310 helixtrans-58.9-25.7176.770.3-175.8000112.4K151 M152K151-I154 WeakPolarHBondContact O-CG1 3.47Å; K151-I154 PolarHBondContact O-N 3.08Å; M152-I154 PolarHBondContact O-N 3.34Å
155H69.9Low70.6Confident144 Ų144108.5 Ų108.567%0.66754%0.538SS*.G310 helixtrans-88.9-9177-61.4-72.3000113.5M152 K153M152-H155 PolarHBondContact O-N 3.4Å; K153-H155 PolarHBondContact O-N 3.03Å; K153-H155 VanDerWaalsContact O-N 3.13Å
156L69.4Low69.5Low72 Ų72116.6 Ų116.638%0.37757%0.566SS.*SBendtrans-73.4148.4175.9-72.3166.5000110.9K153 H160 R161K153-L156 HydrophobicContact CB-CD1 4.07Å; K153-L156 HydrophobicContact CG-CD1 3.8Å; K153-L156 WeakPolarHBondContact O-CB 3.34Å; K153-L156 PolarHBondContact O-N 3.15Å; L156-H160 HydrophobicContact CB-CB 4.25Å; L156-R161 HydrophobicContact CB-CG 4.15Å; L156-R161 PolarHBondContact O-NE 2.73Å
157P78.3Confident68.9Low79 Ų79114.3 Ų114.351%0.51356%0.559SS.*  trans-51.3144.1170.3-23.532.4000111.3S159 H160 R161P157-S159 PolarHBondContact O-N 3.09Å; P157-S159 VanDerWaalsContact O-N 3.11Å; P157-H160 PolarHBondContact O-N 2.99Å; P157-R161 PolarHBondContact O-N 2.76Å
158Q73.1Confident69.1Low134 Ų134113.8 Ų113.863%0.62657%0.565SS**Hα-helixtrans-55-35.9-172.6-171.1175.53.200113.2H160 R161 L162Q158-H160 VanDerWaalsContact C-N 3.33Å; Q158-H160 PolarHBondContact O-N 2.84Å; Q158-R161 PolarHBondContact O-N 2.92Å; Q158-L162 WeakPolarHBondContact O-CG 3.35Å; Q158-L162 PolarHBondContact O-N 2.83Å
159S76.1Confident70Confident80 Ų80110.6 Ų110.656%0.55954%0.544SS*.Hα-helixtrans-57.9-41.6175.350.30000113P157P157-S159 PolarHBondContact O-N 3.09Å; P157-S159 VanDerWaalsContact O-N 3.11Å
160H67.5Low71.5Confident118 Ų118104.7 Ų104.755%0.54652%0.515SS..Hα-helixtrans-75.6-28.2177.7-71.3-97.7000112.4L156 P157 Q158 L162 V163L156-H160 HydrophobicContact CB-CB 4.25Å; P157-H160 PolarHBondContact O-N 2.99Å; Q158-H160 VanDerWaalsContact C-N 3.33Å; Q158-H160 PolarHBondContact O-N 2.84Å; H160-L162 VanDerWaalsContact C-N 3.34Å; H160-V163 PolarHBondContact O-N 2.88Å
161R64.3Low73Confident123 Ų123103.4 Ų103.446%0.46451%0.507SS..Hα-helixtrans-67.6-32.8174.8-73.9-170.1-87.3153.4-2.2113.1K153 L156 P157 Q158 V163K153-R161 WeakPolarHBondContact O-CD 3.13Å; K153-R161 WeakPolarHBondContact O-CG 3.14Å; L156-R161 HydrophobicContact CB-CG 4.15Å; L156-R161 PolarHBondContact O-NE 2.73Å; P157-R161 PolarHBondContact O-N 2.76Å; Q158-R161 PolarHBondContact O-N 2.92Å; R161-V163 VanDerWaalsContact C-N 3.27Å; R161-V163 PolarHBondContact O-N 3.46Å
162L67.2Low74.6Confident136 Ų13696.8 Ų96.871%0.71248%0.478SS*.SBendtrans-73-20-179.9-67.2173.6000113.1Q158 H160 Q164Q158-L162 WeakPolarHBondContact O-CG 3.35Å; Q158-L162 PolarHBondContact O-N 2.83Å; H160-L162 VanDerWaalsContact C-N 3.34Å; L162-Q164 VanDerWaalsContact C-N 3.34Å; L162-Q164 PolarHBondContact O-N 2.8Å
163V64.7Low76.2Confident101 Ų10191.1 Ų91.161%0.61245%0.45SS*.  trans-77.289172.2-174.10000108.2H160 R161 P165H160-V163 PolarHBondContact O-N 2.88Å; R161-V163 VanDerWaalsContact C-N 3.27Å; R161-V163 PolarHBondContact O-N 3.46Å; V163-P165 WeakPolarHBondContact O-CD 3.35Å
164Q61.3Low77.9Confident148 Ų14888.8 Ų88.869%0.69244%0.44SS*.  trans-67.9121.3167-78-174.6-5.600108.7L162 R166L162-Q164 VanDerWaalsContact C-N 3.34Å; L162-Q164 PolarHBondContact O-N 2.8Å; Q164-R166 PolarHBondContact O-N 3.25Å
165P63.7Low79.4Confident73 Ų7385.6 Ų85.647%0.47442%0.422SS..  trans-61.8132.516927.1-32.2000107.9V163 K167V163-P165 WeakPolarHBondContact O-CD 3.35Å; P165-K167 PolarHBondContact O-N 3.32Å; P165-K167 VanDerWaalsContact O-N 3.16Å
166R69.4Low80.6Confident256 Ų25679.4 Ų79.497%0.96640%0.395SS*.SBendtrans-65.7-13.8-179.6-71.2-100.5175.9124.4-1.5112.8Q164Q164-R166 PolarHBondContact O-N 3.25Å
167K79.9Confident82Confident98 Ų9876 Ų7643%0.42638%0.377SS..SBendtrans-140.1154.1-175-56.9-176.2179.6178.80109.8P165 A185P165-K167 PolarHBondContact O-N 3.32Å; P165-K167 VanDerWaalsContact O-N 3.16Å; K167-A185 HydrophobicContact CB-CB 3.53Å; K167-A185 WeakPolarHBondContact CD-O 3.42Å; K167-A185 PolarHBondContact NZ-O 3.11Å
168S87Confident82.9Confident60 Ų6072.3 Ų72.342%0.4235%0.353SS..  trans-117.4136.4179.4-61.30000109.8K147 A185K147-S168 WeakPolarHBondContact O-CB 3.25Å; S168-A185 VanDerWaalsContact O-CB 3.28Å; S168-A185 WeakPolarHBondContact O-CB 3.46Å
169D92.7Very high84.1Confident38 Ų3865.9 Ų65.920%0.20332%0.323CS..  trans-57.3153.9172.9-55.9-23.2000109.2K147 L182 F183 A185 M191K147-D169 HydrophobicContact CB-CB 4.35Å; K147-D169 WeakPolarHBondContact CB-O 2.98Å; K147-D169 HydrophobicContact CD-CB 4.47Å; K147-D169 PolarHBondContact N-O 2.78Å; D169-L182 HydrophobicContact CB-CD1 3.76Å; D169-F183 WeakPolarHBondContact CA-O 3.31Å; D169-F183 WeakPolarHBondContact CB-O 3.3Å; D169-A185 PolarHBondContact OD1-N 2.8Å; D169-A185 VanDerWaalsContact OD1-N 3.1Å; D169-M191 HydrophobicContact CB-CE 4.45Å
170Y95.6Very high85.1Confident17 Ų1762.7 Ų62.77%0.06730%0.299CS..EExtended strand (participates in β ladder)trans-141148-176.959.9-85.4000111.8V131 V144 F145 Y146 F172 L182 F183 H188V131-Y170 HydrophobicContact CG2-CE2 4.34Å; V131-Y170 WeakPolarHBondContact CG2-OH 3.45Å; V144-Y170 HydrophobicContact CG1-CD2 4.32Å; F145-Y170 CarbonylContact O-C 3.58Å; F145-Y170 VanDerWaalsContact O-CA 3.27Å; F145-Y170 WeakPolarHBondContact O-CA 3.49Å; Y146-Y170 HydrophobicContact CD1-CG 4.35Å; Y146-Y170 HydrophobicContact CE1-CD1 4.31Å; Y146-Y170 HydrophobicContact CE1-CG 4.12Å; Y170-F172 HydrophobicContact CD2-CD1 4.05Å; Y170-F172 AromaticContact CD2-CE1 3.82Å; Y170-F172 HydrophobicContact CD2-CE1 3.82Å; Y170-F172 HydrophobicContact CE2-CD1 4.19Å; Y170-F172 AromaticContact CE2-CE1 3.66Å; Y170-F172 HydrophobicContact CE2-CE1 3.66Å; Y170-F172 HydrophobicContact CE2-CZ 4.24Å; Y170-L182 WeakPolarHBondContact O-CD1 3.48Å; Y170-F183 HydrophobicContact CD1-CB 4.38Å; Y170-F183 HydrophobicContact CD2-CB 4.17Å; Y170-F183 AromaticContact CD2-CD2 3.93Å; Y170-F183 HydrophobicContact CD2-CD2 3.93Å; Y170-F183 HydrophobicContact CD2-CG 4.39Å; Y170-F183 HydrophobicContact CE1-CB 3.85Å; Y170-F183 HydrophobicContact CE2-CB 3.62Å; Y170-F183 AromaticContact CE2-CD2 3.47Å; Y170-F183 HydrophobicContact CE2-CD2 3.47Å; Y170-F183 VanDerWaalsContact CE2-CD2 3.47Å; Y170-F183 HydrophobicContact CE2-CE2 4.31Å; Y170-F183 AromaticContact CE2-CG 3.67Å; Y170-F183 HydrophobicContact CE2-CG 3.67Å; Y170-F183 VanDerWaalsContact CZ-CB 3.42Å; Y170-F183 AromaticContact CZ-CG 3.85Å; Y170-F183 PolarHBondContact N-O 2.71Å; Y170-F183 PolarHBondContact O-N 3.47Å; Y170-H188 AromaticContact CE1-CE1 3.97Å; Y170-H188 AromaticContact CE1-ND1 3.5Å; Y170-H188 AromaticContact CZ-ND1 3.6Å; Y170-H188 PolarHBondContact OH-ND1 2.95Å
171F97.4Very high86.6Confident37 Ų3757 Ų5716%0.16227%0.273CS..EExtended strand (participates in β ladder)trans-101.6137.8178.3-68.9-92.8000110.1V144 F145 K147 D180 V181 L182 V194V144-F171 VanDerWaalsContact CA-O 3.3Å; V144-F171 WeakPolarHBondContact CA-O 3.38Å; F145-F171 HydrophobicContact CB-CB 4.38Å; F145-F171 AromaticContact CD1-CD2 3.91Å; F145-F171 HydrophobicContact CD1-CD2 3.91Å; F145-F171 PolarHBondContact N-O 2.97Å; F145-F171 PolarHBondContact O-N 3.12Å; K147-F171 HydrophobicContact CB-CE2 4.38Å; F171-D180 HydrophobicContact CD1-CB 4.02Å; F171-V181 CarbonylContact C-O 3.59Å; F171-V181 VanDerWaalsContact CA-O 3.25Å; F171-V181 WeakPolarHBondContact CA-O 3.04Å; F171-L182 HydrophobicContact CD1-CB 3.87Å; F171-L182 HydrophobicContact CD1-CD1 4.03Å; F171-L182 HydrophobicContact CD1-CG 4.5Å; F171-L182 HydrophobicContact CD2-CD1 3.73Å; F171-L182 HydrophobicContact CE1-CB 3.62Å; F171-L182 HydrophobicContact CE1-CD1 3.85Å; F171-L182 HydrophobicContact CE1-CD2 4.22Å; F171-L182 HydrophobicContact CE1-CG 4.09Å; F171-L182 HydrophobicContact CE2-CD1 3.53Å; F171-L182 HydrophobicContact CG-CD1 4Å; F171-L182 HydrophobicContact CZ-CB 4.15Å; F171-L182 HydrophobicContact CZ-CD1 3.6Å; F171-L182 HydrophobicContact CZ-CD2 3.94Å; F171-L182 HydrophobicContact CZ-CG 4.1Å; F171-V194 HydrophobicContact CE1-CG2 4.39Å
172F98.4Very high88.2Confident17 Ų1751.4 Ų51.48%0.07525%0.252CS..EExtended strand (participates in β ladder)trans-95119.3157.2-79.511.5000108.1V131 L135 P141 V144 Y170 Y174 D180 V181 F183V131-F172 HydrophobicContact CG1-CE2 3.88Å; V131-F172 HydrophobicContact CG1-CZ 3.76Å; L135-F172 HydrophobicContact CD2-CD2 4.47Å; L135-F172 HydrophobicContact CD2-CE2 3.8Å; L135-F172 HydrophobicContact CG-CE2 4.04Å; P141-F172 HydrophobicContact CB-CB 3.75Å; P141-F172 HydrophobicContact CB-CD1 4.48Å; P141-F172 HydrophobicContact CB-CD2 4.2Å; P141-F172 HydrophobicContact CB-CG 3.9Å; P141-F172 HydrophobicContact CG-CB 4.15Å; P141-F172 HydrophobicContact CG-CD1 3.97Å; P141-F172 HydrophobicContact CG-CD2 3.83Å; P141-F172 HydrophobicContact CG-CE1 4.31Å; P141-F172 HydrophobicContact CG-CE2 4.19Å; P141-F172 HydrophobicContact CG-CG 3.71Å; P141-F172 HydrophobicContact CG-CZ 4.41Å; V144-F172 HydrophobicContact CG1-CD1 4.23Å; V144-F172 HydrophobicContact CG1-CE1 4.2Å; V144-F172 HydrophobicContact CG2-CD1 3.83Å; V144-F172 HydrophobicContact CG2-CE1 3.78Å; Y170-F172 HydrophobicContact CD2-CD1 4.05Å; Y170-F172 AromaticContact CD2-CE1 3.82Å; Y170-F172 HydrophobicContact CD2-CE1 3.82Å; Y170-F172 HydrophobicContact CE2-CD1 4.19Å; Y170-F172 AromaticContact CE2-CE1 3.66Å; Y170-F172 HydrophobicContact CE2-CE1 3.66Å; Y170-F172 HydrophobicContact CE2-CZ 4.24Å; F172-Y174 HydrophobicContact CB-CD2 4.39Å; F172-Y174 HydrophobicContact CB-CE2 3.78Å; F172-Y174 HydrophobicContact CD2-CE2 4.4Å; F172-D180 WeakPolarHBondContact O-CA 3.38Å; F172-V181 HydrophobicContact CB-CB 4.42Å; F172-V181 PolarHBondContact N-O 3.12Å; F172-V181 PolarHBondContact O-N 2.95Å; F172-F183 HydrophobicContact CB-CE2 3.93Å; F172-F183 HydrophobicContact CD1-CD2 4.32Å; F172-F183 AromaticContact CD1-CE2 3.95Å; F172-F183 HydrophobicContact CD1-CE2 3.95Å; F172-F183 AromaticContact CD2-CE2 3.58Å; F172-F183 HydrophobicContact CD2-CE2 3.58Å; F172-F183 AromaticContact CD2-CZ 3.95Å; F172-F183 HydrophobicContact CD2-CZ 3.95Å; F172-F183 HydrophobicContact CE1-CE2 4.37Å; F172-F183 HydrophobicContact CE2-CE2 4.03Å; F172-F183 HydrophobicContact CE2-CZ 4.19Å; F172-F183 HydrophobicContact CG-CD2 4.33Å; F172-F183 AromaticContact CG-CE2 3.54Å; F172-F183 HydrophobicContact CG-CE2 3.54Å; F172-F183 HydrophobicContact CG-CZ 4.36Å; F172-F183 HydrophobicContact CZ-CE2 4.4Å
173N98.1Very high89.6Confident10 Ų1044.9 Ų44.95%0.05322%0.218CC..EExtended strand (participates in β ladder)trans-98.2117.6179.6-50.8112.9000109.7S142 R143 F175 D180 Y208S142-N173 WeakPolarHBondContact CB-O 3.38Å; S142-N173 PolarHBondContact N-O 3.32Å; R143-N173 HydrophobicContact CB-CB 4.18Å; R143-N173 PolarHBondContact N-O 3.11Å; R143-N173 PolarHBondContact O-N 2.82Å; R143-N173 PolarHBondContact O-OD1 3.35Å; N173-F175 HydrophobicContact CB-CD1 4.34Å; N173-F175 HydrophobicContact CB-CE1 3.73Å; N173-F175 HydrophobicContact CB-CZ 3.94Å; N173-D180 WeakPolarHBondContact CA-OD1 3.3Å; N173-D180 WeakPolarHBondContact CB-OD1 3.39Å; N173-D180 VanDerWaalsContact ND2-CG 3.28Å; N173-D180 PolarHBondContact ND2-OD1 3.49Å; N173-Y208 PolarHBondContact ND2-OH 2.68Å
174Y97.7Very high90.9Very high6 Ų641.8 Ų41.82%0.02420%0.198CC..EExtended strand (participates in β ladder)trans-108.282.4175.2-68.2-87.8000109.4V134 L138 G139 P141 F172 S176 L177 G178 L179 V181V134-Y174 HydrophobicContact CG1-CE2 4.28Å; L138-Y174 HydrophobicContact CB-CD1 4.31Å; L138-Y174 HydrophobicContact CB-CE1 3.65Å; L138-Y174 HydrophobicContact CB-CE2 4.48Å; L138-Y174 HydrophobicContact CD1-CD2 4.08Å; L138-Y174 HydrophobicContact CD1-CE1 4.31Å; L138-Y174 HydrophobicContact CD1-CE2 3.85Å; L138-Y174 HydrophobicContact CD1-CG 4.42Å; G139-Y174 WeakPolarHBondContact O-CE1 3.25Å; G139-Y174 PolarHBondContact O-OH 2.84Å; P141-Y174 HydrophobicContact CB-CE1 4.27Å; P141-Y174 HydrophobicContact CB-CE2 4.23Å; F172-Y174 HydrophobicContact CB-CD2 4.39Å; F172-Y174 HydrophobicContact CB-CE2 3.78Å; F172-Y174 HydrophobicContact CD2-CE2 4.4Å; Y174-S176 VanDerWaalsContact C-N 3.3Å; Y174-S176 PolarHBondContact O-N 3.02Å; Y174-L177 HydrophobicContact CD1-CD1 4.06Å; Y174-L177 HydrophobicContact CG-CD1 4.07Å; Y174-L177 PolarHBondContact O-N 3.29Å; Y174-G178 PolarHBondContact O-N 2.9Å; Y174-G178 VanDerWaalsContact O-N 3.11Å; Y174-L179 WeakPolarHBondContact CA-O 3.46Å; Y174-L179 WeakPolarHBondContact CB-O 3.44Å; Y174-L179 PolarHBondContact N-O 3.48Å; Y174-L179 PolarHBondContact O-N 3.26Å; Y174-V181 HydrophobicContact CD2-CG2 4.34Å; Y174-V181 HydrophobicContact CE2-CG2 4.22Å
175F96.7Very high92.3Very high50 Ų5035 Ų3522%0.21917%0.168CC..G310 helixtrans-58.9-39.3-173.7-59.3-47.3000112.7R143 N173 L177 G178 T207 Y208 Y209R143-F175 HydrophobicContact CB-CE2 3.96Å; R143-F175 HydrophobicContact CB-CZ 3.85Å; N173-F175 HydrophobicContact CB-CD1 4.34Å; N173-F175 HydrophobicContact CB-CE1 3.73Å; N173-F175 HydrophobicContact CB-CZ 3.94Å; F175-L177 PolarHBondContact O-N 3.42Å; F175-G178 PolarHBondContact O-N 3.37Å; F175-T207 HydrophobicContact CD1-CG2 4.23Å; F175-T207 HydrophobicContact CE1-CG2 4.06Å; F175-Y208 AromaticContact CD1-CD1 3.68Å; F175-Y208 HydrophobicContact CD1-CD1 3.68Å; F175-Y208 HydrophobicContact CD1-CD2 4.39Å; F175-Y208 AromaticContact CD1-CE1 3.42Å; F175-Y208 HydrophobicContact CD1-CE1 3.42Å; F175-Y208 VanDerWaalsContact CD1-CE1 3.42Å; F175-Y208 HydrophobicContact CD1-CE2 4.16Å; F175-Y208 HydrophobicContact CD1-CG 4.16Å; F175-Y208 AromaticContact CD1-CZ 3.69Å; F175-Y208 HydrophobicContact CE1-CD1 4.44Å; F175-Y208 AromaticContact CE1-CE1 3.79Å; F175-Y208 HydrophobicContact CE1-CE1 3.79Å; F175-Y208 HydrophobicContact CE1-CE2 4.12Å; F175-Y208 AromaticContact CE1-CZ 3.61Å; F175-Y209 WeakPolarHBondContact O-CB 3.36Å; F175-Y209 PolarHBondContact O-N 2.91Å
176S95.2Very high93.6Very high15 Ų1538.1 Ų38.111%0.10518%0.176CC..G310 helixtrans-70-17.1178.155.80000114.3V82 Y174V82-S176 VanDerWaalsContact O-CB 3.23Å; V82-S176 WeakPolarHBondContact O-CB 3.37Å; V82-S176 PolarHBondContact O-OG 3.41Å; Y174-S176 VanDerWaalsContact C-N 3.3Å; Y174-S176 PolarHBondContact O-N 3.02Å
177L97.4Very high94.7Very high1 Ų129.6 Ų29.61%0.00515%0.152CC..G310 helixtrans-101-10.1177.5-51.7-175.3000112.6V82 F83 L84 L103 L138 Y174 F175 L179V82-L177 HydrophobicContact CG1-CD2 4.29Å; V82-L177 WeakPolarHBondContact O-CD2 3.45Å; F83-L177 VanDerWaalsContact C-CD2 3.42Å; L84-L177 HydrophobicContact CB-CB 4.26Å; L84-L177 HydrophobicContact CB-CD2 3.92Å; L84-L177 VanDerWaalsContact CD2-O 3.28Å; L84-L177 WeakPolarHBondContact CD2-O 3.27Å; L103-L177 HydrophobicContact CD2-CD1 4.29Å; L103-L177 HydrophobicContact CD2-CD2 3.75Å; L138-L177 HydrophobicContact CD1-CD1 4.07Å; L138-L177 HydrophobicContact CD2-CD1 4.21Å; Y174-L177 HydrophobicContact CD1-CD1 4.06Å; Y174-L177 HydrophobicContact CG-CD1 4.07Å; Y174-L177 PolarHBondContact O-N 3.29Å; F175-L177 PolarHBondContact O-N 3.42Å; L177-L179 HydrophobicContact CB-CB 4.03Å; L177-L179 PolarHBondContact O-N 2.73Å
178G97.7Very high95.4Very high0 Ų028.8 Ų28.80%015%0.15CC..THydrogen-bonded Turntrans64.128.7-170.500000113.3Y174 F175 H196 Y209 C211Y174-G178 PolarHBondContact O-N 2.9Å; Y174-G178 VanDerWaalsContact O-N 3.11Å; F175-G178 PolarHBondContact O-N 3.37Å; G178-H196 PolarHBondContact O-N 2.87Å; G178-Y209 WeakPolarHBondContact CA-O 3.37Å; G178-C211 WeakPolarHBondContact O-CB 3.19Å
179L98.4Very high95.9Very high0 Ų030.1 Ų30.10%015%0.149CC..EExtended strand (participates in β ladder)trans-125.6134.3-169.5177.167.6000110.9L101 L138 Y174 L177 V181 F193 V194 L195L101-L179 HydrophobicContact CD2-CD2 3.97Å; L138-L179 HydrophobicContact CD1-CD2 3.93Å; Y174-L179 WeakPolarHBondContact CA-O 3.46Å; Y174-L179 WeakPolarHBondContact CB-O 3.44Å; Y174-L179 PolarHBondContact N-O 3.48Å; Y174-L179 PolarHBondContact O-N 3.26Å; L177-L179 HydrophobicContact CB-CB 4.03Å; L177-L179 PolarHBondContact O-N 2.73Å; L179-V181 HydrophobicContact CD2-CG2 4.1Å; L179-V181 HydrophobicContact CG-CG2 4.16Å; L179-F193 HydrophobicContact CD1-CB 4.18Å; L179-F193 HydrophobicContact CD1-CD1 4.1Å; L179-V194 CarbonylContact C-O 3.49Å; L179-V194 WeakPolarHBondContact CA-O 3.41Å; L179-L195 HydrophobicContact CD1-CD2 3.48Å; L179-L195 VanDerWaalsContact CD1-CD2 3.48Å
180D98Very high96.1Very high12 Ų1228.5 Ų28.56%0.06414%0.141CC..EExtended strand (participates in β ladder)trans-112.5142.4159.2-57.3-41.3000111F171 F172 N173 F193 V194 H196 Y208F171-D180 HydrophobicContact CD1-CB 4.02Å; F172-D180 WeakPolarHBondContact O-CA 3.38Å; N173-D180 WeakPolarHBondContact CA-OD1 3.3Å; N173-D180 WeakPolarHBondContact CB-OD1 3.39Å; N173-D180 VanDerWaalsContact ND2-CG 3.28Å; N173-D180 PolarHBondContact ND2-OD1 3.49Å; D180-F193 CarbonylContact O-C 3.52Å; D180-F193 WeakPolarHBondContact O-CA 3.24Å; D180-V194 HydrophobicContact CB-CB 4.05Å; D180-V194 HydrophobicContact CB-CG2 4.41Å; D180-V194 PolarHBondContact N-O 2.89Å; D180-V194 PolarHBondContact O-N 2.78Å; D180-H196 IonicContact OD1-NE2 3.07Å; D180-H196 IonicContact OD2-CD2 2.71Å; D180-H196 IonicContact OD2-CE1 3.76Å; D180-H196 IonicContact OD2-NE2 3.41Å; D180-H196 PolarHBondContact OD2-NE2 2.75Å; D180-Y208 WeakPolarHBondContact OD1-CE1 3.28Å; D180-Y208 PolarHBondContact OD1-OH 2.87Å; D180-Y208 PolarHBondContact OD2-OH 3.07Å; D180-Y208 VanDerWaalsContact OD2-OH 3.08Å
181V98.3Very high96.1Very high0 Ų029.7 Ų29.70%015%0.148CC..EExtended strand (participates in β ladder)trans-117.2118175.2-171.90000108.8V134 F171 F172 Y174 L179 F183 V190 F193V134-V181 HydrophobicContact CG1-CG2 4.37Å; V134-V181 HydrophobicContact CG2-CG1 4.43Å; F171-V181 CarbonylContact C-O 3.59Å; F171-V181 VanDerWaalsContact CA-O 3.25Å; F171-V181 WeakPolarHBondContact CA-O 3.04Å; F172-V181 HydrophobicContact CB-CB 4.42Å; F172-V181 PolarHBondContact N-O 3.12Å; F172-V181 PolarHBondContact O-N 2.95Å; Y174-V181 HydrophobicContact CD2-CG2 4.34Å; Y174-V181 HydrophobicContact CE2-CG2 4.22Å; L179-V181 HydrophobicContact CD2-CG2 4.1Å; L179-V181 HydrophobicContact CG-CG2 4.16Å; V181-F183 HydrophobicContact CB-CE2 4.03Å; V181-F183 HydrophobicContact CB-CZ 4.36Å; V181-F183 HydrophobicContact CG1-CD2 4.44Å; V181-F183 HydrophobicContact CG1-CE1 4.35Å; V181-F183 HydrophobicContact CG1-CE2 3.77Å; V181-F183 HydrophobicContact CG1-CZ 3.73Å; V181-V190 HydrophobicContact CG1-CB 4.26Å; V181-V190 HydrophobicContact CG1-CG1 3.71Å; V181-V190 HydrophobicContact CG1-CG2 3.56Å; V181-F193 HydrophobicContact CB-CD1 4.49Å; V181-F193 HydrophobicContact CG1-CD1 4.23Å; V181-F193 HydrophobicContact CG1-CE1 3.93Å; V181-F193 HydrophobicContact CG2-CD1 4.01Å; V181-F193 HydrophobicContact CG2-CE1 4.06Å
182L97.2Very high96.1Very high4 Ų431.7 Ų31.72%0.02116%0.156CC..EExtended strand (participates in β ladder)trans-92.3127.9176-178.558.2000110.6D169 Y170 F171 M191 K192D169-L182 HydrophobicContact CB-CD1 3.76Å; Y170-L182 WeakPolarHBondContact O-CD1 3.48Å; F171-L182 HydrophobicContact CD1-CB 3.87Å; F171-L182 HydrophobicContact CD1-CD1 4.03Å; F171-L182 HydrophobicContact CD1-CG 4.5Å; F171-L182 HydrophobicContact CD2-CD1 3.73Å; F171-L182 HydrophobicContact CE1-CB 3.62Å; F171-L182 HydrophobicContact CE1-CD1 3.85Å; F171-L182 HydrophobicContact CE1-CD2 4.22Å; F171-L182 HydrophobicContact CE1-CG 4.09Å; F171-L182 HydrophobicContact CE2-CD1 3.53Å; F171-L182 HydrophobicContact CG-CD1 4Å; F171-L182 HydrophobicContact CZ-CB 4.15Å; F171-L182 HydrophobicContact CZ-CD1 3.6Å; F171-L182 HydrophobicContact CZ-CD2 3.94Å; F171-L182 HydrophobicContact CZ-CG 4.1Å; L182-M191 HydrophobicContact CD2-CE 4.27Å; L182-M191 HydrophobicContact CG-CE 4.24Å; L182-M191 PolarHBondContact O-N 3.31Å; L182-K192 HydrophobicContact CB-CB 3.88Å; L182-K192 HydrophobicContact CB-CG 4.47Å; L182-K192 HydrophobicContact CD2-CB 4.17Å; L182-K192 HydrophobicContact CD2-CD 3.78Å; L182-K192 HydrophobicContact CD2-CG 3.93Å; L182-K192 PolarHBondContact N-O 2.93Å; L182-K192 PolarHBondContact O-N 2.95Å
183F96.2Very high96.1Very high0 Ų030.9 Ų30.90%015%0.153CC..EExtended strand (participates in β ladder)trans-106.5143.1174.1-62.2-90000111.9V131 V134 D169 Y170 F172 V181 E189 V190V131-F183 HydrophobicContact CB-CE1 4.37Å; V131-F183 HydrophobicContact CG2-CD1 3.77Å; V131-F183 HydrophobicContact CG2-CE1 3.82Å; V131-F183 HydrophobicContact CG2-CG 4.27Å; V131-F183 HydrophobicContact CG2-CZ 4.37Å; V134-F183 HydrophobicContact CB-CE1 4.37Å; V134-F183 HydrophobicContact CB-CZ 3.89Å; V134-F183 HydrophobicContact CG1-CZ 4.03Å; V134-F183 HydrophobicContact CG2-CE1 3.86Å; V134-F183 HydrophobicContact CG2-CZ 3.72Å; D169-F183 WeakPolarHBondContact CA-O 3.31Å; D169-F183 WeakPolarHBondContact CB-O 3.3Å; Y170-F183 HydrophobicContact CD1-CB 4.38Å; Y170-F183 HydrophobicContact CD2-CB 4.17Å; Y170-F183 AromaticContact CD2-CD2 3.93Å; Y170-F183 HydrophobicContact CD2-CD2 3.93Å; Y170-F183 HydrophobicContact CD2-CG 4.39Å; Y170-F183 HydrophobicContact CE1-CB 3.85Å; Y170-F183 HydrophobicContact CE2-CB 3.62Å; Y170-F183 AromaticContact CE2-CD2 3.47Å; Y170-F183 HydrophobicContact CE2-CD2 3.47Å; Y170-F183 VanDerWaalsContact CE2-CD2 3.47Å; Y170-F183 HydrophobicContact CE2-CE2 4.31Å; Y170-F183 AromaticContact CE2-CG 3.67Å; Y170-F183 HydrophobicContact CE2-CG 3.67Å; Y170-F183 VanDerWaalsContact CZ-CB 3.42Å; Y170-F183 AromaticContact CZ-CG 3.85Å; Y170-F183 PolarHBondContact N-O 2.71Å; Y170-F183 PolarHBondContact O-N 3.47Å; F172-F183 HydrophobicContact CB-CE2 3.93Å; F172-F183 HydrophobicContact CD1-CD2 4.32Å; F172-F183 AromaticContact CD1-CE2 3.95Å; F172-F183 HydrophobicContact CD1-CE2 3.95Å; F172-F183 AromaticContact CD2-CE2 3.58Å; F172-F183 HydrophobicContact CD2-CE2 3.58Å; F172-F183 AromaticContact CD2-CZ 3.95Å; F172-F183 HydrophobicContact CD2-CZ 3.95Å; F172-F183 HydrophobicContact CE1-CE2 4.37Å; F172-F183 HydrophobicContact CE2-CE2 4.03Å; F172-F183 HydrophobicContact CE2-CZ 4.19Å; F172-F183 HydrophobicContact CG-CD2 4.33Å; F172-F183 AromaticContact CG-CE2 3.54Å; F172-F183 HydrophobicContact CG-CE2 3.54Å; F172-F183 HydrophobicContact CG-CZ 4.36Å; F172-F183 HydrophobicContact CZ-CE2 4.4Å; V181-F183 HydrophobicContact CB-CE2 4.03Å; V181-F183 HydrophobicContact CB-CZ 4.36Å; V181-F183 HydrophobicContact CG1-CD2 4.44Å; V181-F183 HydrophobicContact CG1-CE1 4.35Å; V181-F183 HydrophobicContact CG1-CE2 3.77Å; V181-F183 HydrophobicContact CG1-CZ 3.73Å; F183-E189 VanDerWaalsContact CA-O 3.31Å; F183-E189 WeakPolarHBondContact CA-O 3.45Å; F183-V190 HydrophobicContact CD1-CG2 4.04Å; F183-V190 HydrophobicContact CE1-CG2 3.52Å; F183-V190 HydrophobicContact CZ-CG2 4.08Å
184D92.9Very high96.1Very high36 Ų3631.3 Ų31.319%0.19316%0.156CC..  trans-67.3133.7167.8-174.5-105.8000110.6Q186 T187 H188 E189 M191D184-Q186 PolarHBondContact O-N 2.97Å; D184-Q186 VanDerWaalsContact OD1-CA 3.27Å; D184-Q186 WeakPolarHBondContact OD1-CA 3.4Å; D184-Q186 WeakPolarHBondContact OD1-CB 3.28Å; D184-Q186 PolarHBondContact OD1-N 3.22Å; D184-T187 WeakPolarHBondContact CB-OG1 3.49Å; D184-T187 PolarHBondContact OD1-N 3.32Å; D184-T187 PolarHBondContact OD1-OG1 3.21Å; D184-H188 WeakPolarHBondContact O-CA 3.45Å; D184-H188 PolarHBondContact O-N 3.46Å; D184-E189 PolarHBondContact N-O 3.2Å; D184-M191 VanDerWaalsContact CA-CE 3.41Å; D184-M191 HydrophobicContact CB-CE 3.75Å; D184-M191 HydrophobicContact CB-CG 3.85Å; D184-M191 HydrophobicContact CB-SD 3.55Å; D184-M191 VanDerWaalsContact CB-SD 3.55Å
185A90.6Very high96.1Very high6 Ų631 Ų315%0.0516%0.155CC..THydrogen-bonded Turntrans-70.2-21.3-178.600000113.8K167 S168 D169 H188K167-A185 HydrophobicContact CB-CB 3.53Å; K167-A185 WeakPolarHBondContact CD-O 3.42Å; K167-A185 PolarHBondContact NZ-O 3.11Å; S168-A185 VanDerWaalsContact O-CB 3.28Å; S168-A185 WeakPolarHBondContact O-CB 3.46Å; D169-A185 PolarHBondContact OD1-N 2.8Å; D169-A185 VanDerWaalsContact OD1-N 3.1Å; A185-H188 PolarHBondContact O-NE2 2.61Å
186Q90.7Very high96.2Very high138 Ų13829 Ų2965%0.64515%0.146SC*.THydrogen-bonded Turntrans-91.9-50.6-176.2-177.261.72400111.2D184D184-Q186 PolarHBondContact O-N 2.97Å; D184-Q186 VanDerWaalsContact OD1-CA 3.27Å; D184-Q186 WeakPolarHBondContact OD1-CA 3.4Å; D184-Q186 WeakPolarHBondContact OD1-CB 3.28Å; D184-Q186 PolarHBondContact OD1-N 3.22Å
187T93.4Very high96.3Very high76 Ų7628.3 Ų28.347%0.46614%0.141SC..THydrogen-bonded Turntrans-89.7-19.4-178.668.40000113.3D184 E189D184-T187 WeakPolarHBondContact CB-OG1 3.49Å; D184-T187 PolarHBondContact OD1-N 3.32Å; D184-T187 PolarHBondContact OD1-OG1 3.21Å; T187-E189 PolarHBondContact O-N 3.38Å; T187-E189 WeakPolarHBondContact OG1-CB 3.4Å; T187-E189 PolarHBondContact OG1-N 2.8Å; T187-E189 PolarHBondContact OG1-OE2 3.12Å
188H95Very high96.2Very high81 Ų8129.6 Ų29.638%0.37515%0.148SC..  trans59.332.9-173-62.6-82.8000113.2V131 Y170 D184 A185V131-H188 HydrophobicContact CG2-CB 4.13Å; V131-H188 PolarHBondContact N-O 3.26Å; Y170-H188 AromaticContact CE1-CE1 3.97Å; Y170-H188 AromaticContact CE1-ND1 3.5Å; Y170-H188 AromaticContact CZ-ND1 3.6Å; Y170-H188 PolarHBondContact OH-ND1 2.95Å; D184-H188 WeakPolarHBondContact O-CA 3.45Å; D184-H188 PolarHBondContact O-N 3.46Å; A185-H188 PolarHBondContact O-NE2 2.61Å
189E96.3Very high96.1Very high88 Ų8830.7 Ų30.741%0.41115%0.153SC..BIsolated β-bridgetrans-110152.1179.4-64.4172.6165.200111.4G128 D129 F183 D184 T187 M191G128-E189 WeakPolarHBondContact O-CG 3.26Å; D129-E189 CarbonylContact O-C 3.6Å; D129-E189 VanDerWaalsContact O-CA 3.28Å; D129-E189 WeakPolarHBondContact O-CA 3.24Å; F183-E189 VanDerWaalsContact CA-O 3.31Å; F183-E189 WeakPolarHBondContact CA-O 3.45Å; D184-E189 PolarHBondContact N-O 3.2Å; T187-E189 PolarHBondContact O-N 3.38Å; T187-E189 WeakPolarHBondContact OG1-CB 3.4Å; T187-E189 PolarHBondContact OG1-N 2.8Å; T187-E189 PolarHBondContact OG1-OE2 3.12Å; E189-M191 PolarHBondContact O-N 2.88Å
190V97.5Very high95.8Very high4 Ų434.6 Ų34.62%0.02418%0.178CC..EExtended strand (participates in β ladder)trans-66124.1179179.40000111.3F127 G128 D129 V134 V181 F183 F193F127-V190 HydrophobicContact CD1-CG1 4.36Å; G128-V190 PolarHBondContact N-O 2.84Å; D129-V190 HydrophobicContact CB-CG2 4.02Å; D129-V190 WeakPolarHBondContact O-CG2 3.32Å; D129-V190 PolarHBondContact O-N 2.86Å; V134-V190 HydrophobicContact CG2-CG2 3.51Å; V181-V190 HydrophobicContact CG1-CB 4.26Å; V181-V190 HydrophobicContact CG1-CG1 3.71Å; V181-V190 HydrophobicContact CG1-CG2 3.56Å; F183-V190 HydrophobicContact CD1-CG2 4.04Å; F183-V190 HydrophobicContact CE1-CG2 3.52Å; F183-V190 HydrophobicContact CZ-CG2 4.08Å; V190-F193 HydrophobicContact CB-CZ 4.5Å; V190-F193 HydrophobicContact CG1-CD1 4.41Å; V190-F193 HydrophobicContact CG1-CD2 4.48Å; V190-F193 HydrophobicContact CG1-CE1 3.77Å; V190-F193 HydrophobicContact CG1-CE2 3.84Å; V190-F193 HydrophobicContact CG1-CZ 3.46Å; V190-F193 VanDerWaalsContact CG1-CZ 3.46Å
191M95.3Very high95.2Very high43 Ų4335 Ų3521%0.21219%0.185CC..EExtended strand (participates in β ladder)trans-109.1-33.8176-65-165.3-66.400113.7D169 L182 D184 E189 T309D169-M191 HydrophobicContact CB-CE 4.45Å; L182-M191 HydrophobicContact CD2-CE 4.27Å; L182-M191 HydrophobicContact CG-CE 4.24Å; L182-M191 PolarHBondContact O-N 3.31Å; D184-M191 VanDerWaalsContact CA-CE 3.41Å; D184-M191 HydrophobicContact CB-CE 3.75Å; D184-M191 HydrophobicContact CB-CG 3.85Å; D184-M191 HydrophobicContact CB-SD 3.55Å; D184-M191 VanDerWaalsContact CB-SD 3.55Å; E189-M191 PolarHBondContact O-N 2.88Å; M191-T309 PolarHBondContact O-N 2.94Å
192K97Very high94.7Very high79 Ų7935.1 Ų35.134%0.34319%0.186SC..EExtended strand (participates in β ladder)trans-145.5149.9-175.4-51.2-172-177.7-176.70112.3L182 T306 L307L182-K192 HydrophobicContact CB-CB 3.88Å; L182-K192 HydrophobicContact CB-CG 4.47Å; L182-K192 HydrophobicContact CD2-CB 4.17Å; L182-K192 HydrophobicContact CD2-CD 3.78Å; L182-K192 HydrophobicContact CD2-CG 3.93Å; L182-K192 PolarHBondContact N-O 2.93Å; L182-K192 PolarHBondContact O-N 2.95Å; K192-T306 HydrophobicContact CD-CG2 4.4Å; K192-L307 CarbonylContact C-O 3.59Å; K192-L307 VanDerWaalsContact CA-O 3.23Å; K192-L307 WeakPolarHBondContact CA-O 3.47Å; K192-L307 WeakPolarHBondContact CB-O 3.49Å
193F98.4Very high94.1Very high0 Ų038.8 Ų38.80%020%0.2CC..EExtended strand (participates in β ladder)trans-117.6137.3167.1-60.3-76.2000109.4L99 L125 F127 L179 D180 V181 V190 T306 L307L99-F193 HydrophobicContact CD1-CD2 3.74Å; L99-F193 HydrophobicContact CD1-CE2 3.81Å; L99-F193 HydrophobicContact CD1-CG 4.44Å; L99-F193 HydrophobicContact CD2-CB 3.94Å; L99-F193 HydrophobicContact CD2-CD1 3.91Å; L99-F193 HydrophobicContact CD2-CD2 3.76Å; L99-F193 HydrophobicContact CD2-CE1 4.31Å; L99-F193 HydrophobicContact CD2-CE2 4.18Å; L99-F193 HydrophobicContact CD2-CG 3.6Å; L99-F193 HydrophobicContact CD2-CZ 4.42Å; L99-F193 HydrophobicContact CG-CD2 4.44Å; L125-F193 HydrophobicContact CB-CE1 4.14Å; L125-F193 HydrophobicContact CB-CZ 3.89Å; L125-F193 HydrophobicContact CD1-CE1 4.03Å; F127-F193 HydrophobicContact CD1-CD2 4.08Å; F127-F193 AromaticContact CD1-CE2 3.78Å; F127-F193 HydrophobicContact CD1-CE2 3.78Å; F127-F193 AromaticContact CE1-CD2 3.52Å; F127-F193 HydrophobicContact CE1-CD2 3.52Å; F127-F193 AromaticContact CE1-CE2 3.71Å; F127-F193 HydrophobicContact CE1-CE2 3.71Å; F127-F193 HydrophobicContact CG-CE2 4.4Å; F127-F193 AromaticContact CZ-CD2 3.99Å; F127-F193 HydrophobicContact CZ-CD2 3.99Å; F127-F193 HydrophobicContact CZ-CE2 4.29Å; L179-F193 HydrophobicContact CD1-CB 4.18Å; L179-F193 HydrophobicContact CD1-CD1 4.1Å; D180-F193 CarbonylContact O-C 3.52Å; D180-F193 WeakPolarHBondContact O-CA 3.24Å; V181-F193 HydrophobicContact CB-CD1 4.49Å; V181-F193 HydrophobicContact CG1-CD1 4.23Å; V181-F193 HydrophobicContact CG1-CE1 3.93Å; V181-F193 HydrophobicContact CG2-CD1 4.01Å; V181-F193 HydrophobicContact CG2-CE1 4.06Å; V190-F193 HydrophobicContact CB-CZ 4.5Å; V190-F193 HydrophobicContact CG1-CD1 4.41Å; V190-F193 HydrophobicContact CG1-CD2 4.48Å; V190-F193 HydrophobicContact CG1-CE1 3.77Å; V190-F193 HydrophobicContact CG1-CE2 3.84Å; V190-F193 HydrophobicContact CG1-CZ 3.46Å; V190-F193 VanDerWaalsContact CG1-CZ 3.46Å; F193-T306 CarbonylContact O-C 3.58Å; F193-T306 VanDerWaalsContact O-CA 3.31Å; F193-T306 WeakPolarHBondContact O-CA 3.14Å; F193-L307 HydrophobicContact CB-CB 4.36Å; F193-L307 PolarHBondContact N-O 2.97Å; F193-L307 PolarHBondContact O-N 2.89Å
194V98Very high93.7Very high19 Ų1940 Ų4012%0.11521%0.207CC..EExtended strand (participates in β ladder)trans-117120171.8-172.30000108.5F171 L179 D180 T306F171-V194 HydrophobicContact CE1-CG2 4.39Å; L179-V194 CarbonylContact C-O 3.49Å; L179-V194 WeakPolarHBondContact CA-O 3.41Å; D180-V194 HydrophobicContact CB-CB 4.05Å; D180-V194 HydrophobicContact CB-CG2 4.41Å; D180-V194 PolarHBondContact N-O 2.89Å; D180-V194 PolarHBondContact O-N 2.78Å; V194-T306 HydrophobicContact CG2-CG2 4.29Å
195L98.6Very high93.6Very high0 Ų042.7 Ų42.70%022%0.217CC..EExtended strand (participates in β ladder)trans-103113.2-178.1-46.3-178.2000108.7L87 V89 L99 L179 C211 F213 S304 V305 L307L87-L195 HydrophobicContact CD1-CD2 4.17Å; L87-L195 HydrophobicContact CD2-CD1 4.29Å; V89-L195 HydrophobicContact CG2-CD1 4.22Å; L99-L195 HydrophobicContact CD2-CD2 4.36Å; L179-L195 HydrophobicContact CD1-CD2 3.48Å; L179-L195 VanDerWaalsContact CD1-CD2 3.48Å; L195-C211 HydrophobicContact CB-CB 4.25Å; L195-F213 HydrophobicContact CB-CD1 3.81Å; L195-F213 HydrophobicContact CB-CE1 4.24Å; L195-F213 HydrophobicContact CD1-CB 3.81Å; L195-F213 HydrophobicContact CD1-CD1 3.98Å; L195-F213 HydrophobicContact CD1-CG 3.93Å; L195-S304 CarbonylContact O-C 3.38Å; L195-S304 VanDerWaalsContact O-CA 3.24Å; L195-S304 WeakPolarHBondContact O-CA 3.4Å; L195-V305 HydrophobicContact CB-CB 4.31Å; L195-V305 HydrophobicContact CD1-CB 4.49Å; L195-V305 PolarHBondContact N-O 3.48Å; L195-V305 PolarHBondContact O-N 3.42Å; L195-L307 HydrophobicContact CD1-CD1 4.04Å; L195-L307 HydrophobicContact CD1-CG 4.47Å
196H98Very high93.7Very high8 Ų848.4 Ų48.44%0.03725%0.247CC..EExtended strand (participates in β ladder)trans-91.3133.2-176-67.6-77.6000111.3G178 D180 Y208 C211G178-H196 PolarHBondContact O-N 2.87Å; D180-H196 IonicContact OD1-NE2 3.07Å; D180-H196 IonicContact OD2-CD2 2.71Å; D180-H196 IonicContact OD2-CE1 3.76Å; D180-H196 IonicContact OD2-NE2 3.41Å; D180-H196 PolarHBondContact OD2-NE2 2.75Å; H196-Y208 HydrophobicContact CB-CD1 4.34Å; H196-Y208 HydrophobicContact CB-CD2 4.47Å; H196-Y208 HydrophobicContact CB-CG 3.98Å; H196-Y208 AromaticContact CD2-CD1 3.44Å; H196-Y208 VanDerWaalsContact CD2-CD1 3.44Å; H196-Y208 WeakPolarHBondContact CD2-CD1 3.3Å; H196-Y208 AromaticContact CD2-CE1 3.49Å; H196-Y208 VanDerWaalsContact CD2-CE1 3.49Å; H196-Y208 WeakPolarHBondContact CD2-CE1 3.26Å; H196-Y208 AromaticContact CD2-CG 3.73Å; H196-Y208 AromaticContact CD2-CZ 3.85Å; H196-Y208 AromaticContact CE1-CE2 3.94Å; H196-Y208 AromaticContact CG-CD1 3.95Å; H196-Y208 AromaticContact CG-CD2 3.96Å; H196-Y208 AromaticContact CG-CG 3.76Å; H196-Y208 AromaticContact NE2-CE1 3.61Å; H196-Y208 AromaticContact NE2-CE2 3.83Å; H196-Y208 AromaticContact NE2-CZ 3.51Å; H196-C211 VanDerWaalsContact O-CB 3.3Å; H196-C211 WeakPolarHBondContact O-CB 3.48Å; H196-C211 PolarHBondContact O-N 3.22Å
197T97.4Very high93.9Very high0 Ų045.3 Ų45.30%024%0.238CC..  trans-95.9-10.8-177.763.60000113.7Q199 R210 F213 P247 I302 A303T197-Q199 VanDerWaalsContact OG1-CG 3.26Å; T197-Q199 WeakPolarHBondContact OG1-CG 3.18Å; T197-R210 WeakPolarHBondContact O-CG 3.29Å; T197-R210 PolarHBondContact O-NE 3.23Å; T197-R210 PolarHBondContact O-NH2 2.76Å; T197-F213 HydrophobicContact CG2-CE1 3.83Å; T197-F213 HydrophobicContact CG2-CZ 4.26Å; T197-P247 HydrophobicContact CG2-CB 3.92Å; T197-I302 WeakPolarHBondContact CB-O 3.47Å; T197-I302 HydrophobicContact CG2-CB 4.18Å; T197-I302 HydrophobicContact CG2-CG2 3.88Å; T197-I302 WeakPolarHBondContact CG2-O 3.06Å; T197-I302 PolarHBondContact OG1-O 2.97Å; T197-A303 WeakPolarHBondContact CB-O 3.44Å; T197-A303 PolarHBondContact N-O 2.87Å; T197-A303 VanDerWaalsContact N-O 3.15Å; T197-A303 VanDerWaalsContact OG1-C 3.25Å; T197-A303 WeakPolarHBondContact OG1-CA 3.47Å; T197-A303 PolarHBondContact OG1-O 3.39Å
198N96.1Very high94Very high28 Ų2842.7 Ų42.715%0.1522%0.22CC..  trans50.158.3-177.1-17024.7000112.8F205 N206 Y208 R210N198-F205 WeakPolarHBondContact OD1-CD2 3.33Å; N198-F205 WeakPolarHBondContact OD1-CE2 3.39Å; N198-N206 WeakPolarHBondContact OD1-CA 3.08Å; N198-N206 PolarHBondContact OD1-N 3.08Å; N198-Y208 WeakPolarHBondContact CB-O 3.41Å; N198-Y208 PolarHBondContact ND2-O 2.93Å; N198-R210 HydrophobicContact CB-CB 4.21Å; N198-R210 PolarHBondContact O-NH2 3.01Å
199Q94.3Very high94Very high23 Ų2345.4 Ų45.411%0.10723%0.228CC..  trans-95.7139.2179.3-66.7-69.3-13.400111.3T197 E202 F205 P247 I296 C301 I302T197-Q199 VanDerWaalsContact OG1-CG 3.26Å; T197-Q199 WeakPolarHBondContact OG1-CG 3.18Å; Q199-E202 WeakPolarHBondContact O-CB 3.26Å; Q199-E202 PolarHBondContact O-N 3.22Å; Q199-F205 VanDerWaalsContact O-CD2 3.27Å; Q199-F205 WeakPolarHBondContact O-CD2 3.34Å; Q199-P247 PolarHBondContact NE2-O 2.97Å; Q199-P247 VanDerWaalsContact NE2-O 3.09Å; Q199-I296 HydrophobicContact CB-CD1 3.77Å; Q199-C301 HydrophobicContact CB-CB 4.44Å; Q199-C301 HydrophobicContact CG-CB 4Å; Q199-I302 WeakPolarHBondContact CG-O 3.31Å
200P91.9Very high94.1Very high81 Ų8144.7 Ų44.753%0.52622%0.221SC..THydrogen-bonded Turntrans-57.2140.1168.7-22.933.6000111.2F205P200-F205 HydrophobicContact CB-CE2 4.44Å; P200-F205 HydrophobicContact CG-CD2 4.5Å; P200-F205 HydrophobicContact CG-CE2 3.89Å; P200-F205 HydrophobicContact CG-CZ 4.11Å
201G86.8Confident94.1Very high21 Ų2144.5 Ų44.522%0.21622%0.22CC..THydrogen-bonded Turntrans89.42.7-174.900000114.3F280G201-F280 WeakPolarHBondContact O-CB 3.23Å; G201-F280 WeakPolarHBondContact O-CG 3.47Å
202E86.9Confident94.2Very high3 Ų345.4 Ų45.41%0.01423%0.225CC..SBendtrans-96.1144.2173.3-163.1-90.8133.200110.3Q199 T204 F205 R271 I296 A303Q199-E202 WeakPolarHBondContact O-CB 3.26Å; Q199-E202 PolarHBondContact O-N 3.22Å; E202-T204 VanDerWaalsContact C-N 3.28Å; E202-T204 VanDerWaalsContact CD-N 3.26Å; E202-T204 PolarHBondContact O-N 2.82Å; E202-T204 PolarHBondContact OE1-N 2.64Å; E202-T204 VanDerWaalsContact OE1-N 3.07Å; E202-T204 PolarHBondContact OE1-OG1 3.45Å; E202-T204 VanDerWaalsContact OE2-CA 3.27Å; E202-T204 WeakPolarHBondContact OE2-CA 3.3Å; E202-T204 WeakPolarHBondContact OE2-CB 3.48Å; E202-T204 PolarHBondContact OE2-N 2.88Å; E202-T204 VanDerWaalsContact OE2-N 3.09Å; E202-T204 PolarHBondContact OE2-OG1 3.31Å; E202-F205 VanDerWaalsContact O-CB 3.29Å; E202-F205 WeakPolarHBondContact O-CB 3.45Å; E202-F205 PolarHBondContact O-N 2.82Å; E202-F205 VanDerWaalsContact O-N 3.13Å; E202-F205 PolarHBondContact OE2-N 2.92Å; E202-F205 VanDerWaalsContact OE2-N 3.12Å; E202-R271 IonicContact OE1-CZ 3.66Å; E202-R271 IonicContact OE1-NH1 3.6Å; E202-R271 PolarHBondContact OE1-NH1 2.9Å; E202-R271 IonicContact OE1-NH2 3.22Å; E202-I296 HydrophobicContact CB-CD1 3.93Å; E202-A303 HydrophobicContact CG-CB 3.78Å
203Y85.8Confident94.3Very high80 Ų8041.7 Ų41.731%0.31421%0.209SC..THydrogen-bonded Turntrans-60.7-36.1-176.1177.5-96.8000112.9R271 N278Y203-R271 HydrophobicContact CG-CB 4.46Å; Y203-N278 HydrophobicContact CD2-CB 4.05Å
204T86.2Confident94.2Very high25 Ų2544 Ų4415%0.15322%0.22CC..THydrogen-bonded Turntrans-96.520.6178.462.20000113.8E202 N206 T207E202-T204 VanDerWaalsContact C-N 3.28Å; E202-T204 VanDerWaalsContact CD-N 3.26Å; E202-T204 PolarHBondContact O-N 2.82Å; E202-T204 PolarHBondContact OE1-N 2.64Å; E202-T204 VanDerWaalsContact OE1-N 3.07Å; E202-T204 PolarHBondContact OE1-OG1 3.45Å; E202-T204 VanDerWaalsContact OE2-CA 3.27Å; E202-T204 WeakPolarHBondContact OE2-CA 3.3Å; E202-T204 WeakPolarHBondContact OE2-CB 3.48Å; E202-T204 PolarHBondContact OE2-N 2.88Å; E202-T204 VanDerWaalsContact OE2-N 3.09Å; E202-T204 PolarHBondContact OE2-OG1 3.31Å; T204-N206 PolarHBondContact O-N 3.14Å; T204-T207 WeakPolarHBondContact O-CB 3.28Å; T204-T207 PolarHBondContact O-N 3.29Å; T204-T207 PolarHBondContact O-OG1 2.87Å; T204-T207 VanDerWaalsContact O-OG1 3.07Å
205F91.4Very high94.2Very high93 Ų9343 Ų4341%0.40821%0.214SC..THydrogen-bonded Turntrans-50.9133.9178.3177.8-111.7000111.4N198 Q199 P200 E202 T207N198-F205 WeakPolarHBondContact OD1-CD2 3.33Å; N198-F205 WeakPolarHBondContact OD1-CE2 3.39Å; Q199-F205 VanDerWaalsContact O-CD2 3.27Å; Q199-F205 WeakPolarHBondContact O-CD2 3.34Å; P200-F205 HydrophobicContact CB-CE2 4.44Å; P200-F205 HydrophobicContact CG-CD2 4.5Å; P200-F205 HydrophobicContact CG-CE2 3.89Å; P200-F205 HydrophobicContact CG-CZ 4.11Å; E202-F205 VanDerWaalsContact O-CB 3.29Å; E202-F205 WeakPolarHBondContact O-CB 3.45Å; E202-F205 PolarHBondContact O-N 2.82Å; E202-F205 VanDerWaalsContact O-N 3.13Å; E202-F205 PolarHBondContact OE2-N 2.92Å; E202-F205 VanDerWaalsContact OE2-N 3.12Å; F205-T207 PolarHBondContact O-N 3.21Å; F205-T207 VanDerWaalsContact O-N 3.17Å
206N93Very high94Very high127 Ų12744.5 Ų44.568%0.67922%0.224SC*.THydrogen-bonded Turntrans63.19.3-177.1-157.345.2000115.9N198 T204N198-N206 WeakPolarHBondContact OD1-CA 3.08Å; N198-N206 PolarHBondContact OD1-N 3.08Å; T204-N206 PolarHBondContact O-N 3.14Å
207T94Very high93.6Very high73 Ų7344.1 Ų44.145%0.44822%0.222SC..THydrogen-bonded Turntrans-80.3-37.4168.2-55.20000110.9F175 T204 F205F175-T207 HydrophobicContact CD1-CG2 4.23Å; F175-T207 HydrophobicContact CE1-CG2 4.06Å; T204-T207 WeakPolarHBondContact O-CB 3.28Å; T204-T207 PolarHBondContact O-N 3.29Å; T204-T207 PolarHBondContact O-OG1 2.87Å; T204-T207 VanDerWaalsContact O-OG1 3.07Å; F205-T207 PolarHBondContact O-N 3.21Å; F205-T207 VanDerWaalsContact O-N 3.17Å
208Y96.3Very high92.9Very high21 Ų2145.4 Ų45.48%0.08223%0.23CC..SBendtrans-113.6146.6-179.7-68-95.8000110.5N173 F175 D180 H196 N198N173-Y208 PolarHBondContact ND2-OH 2.68Å; F175-Y208 AromaticContact CD1-CD1 3.68Å; F175-Y208 HydrophobicContact CD1-CD1 3.68Å; F175-Y208 HydrophobicContact CD1-CD2 4.39Å; F175-Y208 AromaticContact CD1-CE1 3.42Å; F175-Y208 HydrophobicContact CD1-CE1 3.42Å; F175-Y208 VanDerWaalsContact CD1-CE1 3.42Å; F175-Y208 HydrophobicContact CD1-CE2 4.16Å; F175-Y208 HydrophobicContact CD1-CG 4.16Å; F175-Y208 AromaticContact CD1-CZ 3.69Å; F175-Y208 HydrophobicContact CE1-CD1 4.44Å; F175-Y208 AromaticContact CE1-CE1 3.79Å; F175-Y208 HydrophobicContact CE1-CE1 3.79Å; F175-Y208 HydrophobicContact CE1-CE2 4.12Å; F175-Y208 AromaticContact CE1-CZ 3.61Å; D180-Y208 WeakPolarHBondContact OD1-CE1 3.28Å; D180-Y208 PolarHBondContact OD1-OH 2.87Å; D180-Y208 PolarHBondContact OD2-OH 3.07Å; D180-Y208 VanDerWaalsContact OD2-OH 3.08Å; H196-Y208 HydrophobicContact CB-CD1 4.34Å; H196-Y208 HydrophobicContact CB-CD2 4.47Å; H196-Y208 HydrophobicContact CB-CG 3.98Å; H196-Y208 AromaticContact CD2-CD1 3.44Å; H196-Y208 VanDerWaalsContact CD2-CD1 3.44Å; H196-Y208 WeakPolarHBondContact CD2-CD1 3.3Å; H196-Y208 AromaticContact CD2-CE1 3.49Å; H196-Y208 VanDerWaalsContact CD2-CE1 3.49Å; H196-Y208 WeakPolarHBondContact CD2-CE1 3.26Å; H196-Y208 AromaticContact CD2-CG 3.73Å; H196-Y208 AromaticContact CD2-CZ 3.85Å; H196-Y208 AromaticContact CE1-CE2 3.94Å; H196-Y208 AromaticContact CG-CD1 3.95Å; H196-Y208 AromaticContact CG-CD2 3.96Å; H196-Y208 AromaticContact CG-CG 3.76Å; H196-Y208 AromaticContact NE2-CE1 3.61Å; H196-Y208 AromaticContact NE2-CE2 3.83Å; H196-Y208 AromaticContact NE2-CZ 3.51Å; N198-Y208 WeakPolarHBondContact CB-O 3.41Å; N198-Y208 PolarHBondContact ND2-O 2.93Å
209Y95.4Very high92.1Very high138 Ų13846.6 Ų46.654%0.54124%0.236SC..  trans-66.1157.3158.7-79.2-100.2000109.7F83 F175 G178 C211F83-Y209 HydrophobicContact CD1-CD1 4.35Å; F83-Y209 HydrophobicContact CD1-CE1 4.32Å; F83-Y209 HydrophobicContact CE1-CD1 4.12Å; F83-Y209 HydrophobicContact CE1-CD2 4.36Å; F83-Y209 AromaticContact CE1-CE1 3.69Å; F83-Y209 HydrophobicContact CE1-CE1 3.69Å; F83-Y209 AromaticContact CE1-CE2 3.94Å; F83-Y209 HydrophobicContact CE1-CE2 3.94Å; F83-Y209 HydrophobicContact CE1-CG 4.43Å; F83-Y209 AromaticContact CE1-CZ 3.59Å; F175-Y209 WeakPolarHBondContact O-CB 3.36Å; F175-Y209 PolarHBondContact O-N 2.91Å; G178-Y209 WeakPolarHBondContact CA-O 3.37Å; Y209-C211 PolarHBondContact O-N 2.69Å
210R97Very high90.8Very high73 Ų7349.1 Ų49.128%0.27525%0.253SS..  trans-71.6120.3176.8178170.8-66136.27.4109.2T197 N198 L212 P247 F248T197-R210 WeakPolarHBondContact O-CG 3.29Å; T197-R210 PolarHBondContact O-NE 3.23Å; T197-R210 PolarHBondContact O-NH2 2.76Å; N198-R210 HydrophobicContact CB-CB 4.21Å; N198-R210 PolarHBondContact O-NH2 3.01Å; R210-L212 HydrophobicContact CG-CD2 4.22Å; R210-L212 PolarHBondContact O-N 2.68Å; R210-P247 HydrophobicContact CG-CB 3.86Å; R210-P247 HydrophobicContact CG-CG 3.98Å; R210-F248 VanDerWaalsContact NH1-CE1 3.29Å
211C98.2Very high89.1Confident0 Ų053.5 Ų53.50%026%0.264CS..  trans-69.6110.5167.5-1710000109L84 G178 L195 H196 Y209 F213 P247L84-C211 HydrophobicContact CD2-CB 4.35Å; L84-C211 VanDerWaalsContact CD2-SG 3.55Å; G178-C211 WeakPolarHBondContact O-CB 3.19Å; L195-C211 HydrophobicContact CB-CB 4.25Å; H196-C211 VanDerWaalsContact O-CB 3.3Å; H196-C211 WeakPolarHBondContact O-CB 3.48Å; H196-C211 PolarHBondContact O-N 3.22Å; Y209-C211 PolarHBondContact O-N 2.69Å; C211-F213 HydrophobicContact CB-CD1 4.32Å; C211-F213 WeakPolarHBondContact O-CD1 3.4Å; C211-F213 PolarHBondContact O-N 3.1Å; C211-P247 WeakPolarHBondContact O-CG 3.47Å
212L97.5Very high87.2Confident62 Ų6257.1 Ų57.133%0.32529%0.286SS..  trans-79.862.4178.8-67.4172.8000110.6E85 R86 L87 R210 P247 F248E85-L212 WeakPolarHBondContact O-CD1 3.37Å; R86-L212 WeakPolarHBondContact CA-O 3.36Å; L87-L212 PolarHBondContact N-O 2.83Å; R210-L212 HydrophobicContact CG-CD2 4.22Å; R210-L212 PolarHBondContact O-N 2.68Å; L212-P247 HydrophobicContact CD2-CG 4.16Å; L212-F248 HydrophobicContact CD2-CE2 3.77Å; L212-F248 HydrophobicContact CD2-CZ 4.07Å
213F98.5Very high85.2Confident1 Ų162.9 Ų62.90%0.00433%0.326CS..EExtended strand (participates in β ladder)trans-78.8154.4-177.966.4-104.7000113.1L87 L195 T197 C211 I215 V245 T246 P247 V305L87-F213 HydrophobicContact CB-CB 4.41Å; L87-F213 HydrophobicContact CD2-CB 4.08Å; L87-F213 CarbonylContact O-C 3.54Å; L87-F213 WeakPolarHBondContact O-CA 3.23Å; L195-F213 HydrophobicContact CB-CD1 3.81Å; L195-F213 HydrophobicContact CB-CE1 4.24Å; L195-F213 HydrophobicContact CD1-CB 3.81Å; L195-F213 HydrophobicContact CD1-CD1 3.98Å; L195-F213 HydrophobicContact CD1-CG 3.93Å; T197-F213 HydrophobicContact CG2-CE1 3.83Å; T197-F213 HydrophobicContact CG2-CZ 4.26Å; C211-F213 HydrophobicContact CB-CD1 4.32Å; C211-F213 WeakPolarHBondContact O-CD1 3.4Å; C211-F213 PolarHBondContact O-N 3.1Å; F213-I215 HydrophobicContact CD2-CD1 3.57Å; F213-I215 HydrophobicContact CD2-CG1 3.74Å; F213-I215 HydrophobicContact CE2-CD1 3.71Å; F213-I215 HydrophobicContact CE2-CG1 4.27Å; F213-I215 HydrophobicContact CG-CD1 4.35Å; F213-V245 HydrophobicContact CE2-CG1 4.21Å; F213-T246 VanDerWaalsContact CE2-C 3.47Å; F213-T246 WeakPolarHBondContact O-CA 3.34Å; F213-P247 HydrophobicContact CD1-CB 4.43Å; F213-P247 HydrophobicContact CE1-CB 3.97Å; F213-P247 HydrophobicContact CZ-CB 4.25Å; F213-P247 VanDerWaalsContact O-CD 3.26Å; F213-P247 WeakPolarHBondContact O-CD 3.47Å; F213-V305 HydrophobicContact CE1-CG2 3.9Å; F213-V305 HydrophobicContact CE2-CG2 4.09Å; F213-V305 HydrophobicContact CZ-CB 4.44Å; F213-V305 HydrophobicContact CZ-CG2 3.48Å; F213-V305 VanDerWaalsContact CZ-CG2 3.48Å
214E98.1Very high83.2Confident47 Ų4767.8 Ų67.822%0.2235%0.349CS..EExtended strand (participates in β ladder)trans-131.5105.9175.7-73.9-175.9166.500108.1R86 L87 V89 L244R86-E214 WeakPolarHBondContact CD-OE1 3.41Å; R86-E214 HydrophobicContact CG-CG 4.45Å; R86-E214 IonicContact CZ-OE2 2.68Å; R86-E214 IonicContact NE-OE2 3.3Å; R86-E214 IonicContact NH1-OE1 3.65Å; R86-E214 PolarHBondContact NH1-OE1 3.43Å; R86-E214 IonicContact NH1-OE2 3.6Å; R86-E214 PolarHBondContact NH1-OE2 2.74Å; L87-E214 PolarHBondContact O-N 2.86Å; V89-E214 PolarHBondContact N-O 2.85Å; E214-L244 HydrophobicContact CB-CD1 3.93Å; E214-L244 HydrophobicContact CB-CD2 4.3Å; E214-L244 HydrophobicContact CB-CG 4.3Å; E214-L244 HydrophobicContact CG-CD2 4.05Å; E214-L244 HydrophobicContact CG-CG 4.47Å
215I96.7Very high80.8Confident0 Ų075.1 Ų75.10%038%0.382CS..EExtended strand (participates in β ladder)trans-110.9111.9-178.6-60.1164.5000109.3V89 F213 I217 V245 I291 V305V89-I215 HydrophobicContact CB-CB 4.45Å; V89-I215 HydrophobicContact CB-CG1 3.8Å; V89-I215 HydrophobicContact CG1-CG1 4.3Å; V89-I215 HydrophobicContact CG2-CD1 4.44Å; V89-I215 HydrophobicContact CG2-CG1 3.58Å; F213-I215 HydrophobicContact CD2-CD1 3.57Å; F213-I215 HydrophobicContact CD2-CG1 3.74Å; F213-I215 HydrophobicContact CE2-CD1 3.71Å; F213-I215 HydrophobicContact CE2-CG1 4.27Å; F213-I215 HydrophobicContact CG-CD1 4.35Å; I215-I217 HydrophobicContact CG2-CG1 4.27Å; I215-V245 HydrophobicContact CB-CB 4.2Å; I215-V245 PolarHBondContact N-O 2.82Å; I215-V245 PolarHBondContact O-N 3.25Å; I215-I291 HydrophobicContact CG2-CD1 3.83Å; I215-V305 HydrophobicContact CD1-CB 4.34Å; I215-V305 HydrophobicContact CD1-CG1 3.73Å; I215-V305 HydrophobicContact CD1-CG2 4.34Å
216P94.2Very high78.1Confident31 Ų3178.5 Ų78.520%0.20140%0.404CS..EExtended strand (participates in β ladder)trans-77.8127.3176.230.8-32.5000111V89 R91 K242V89-P216 WeakPolarHBondContact O-CD 3.15Å; R91-P216 HydrophobicContact CG-CG 4.4Å; P216-K242 HydrophobicContact CB-CB 4.34Å; P216-K242 HydrophobicContact CB-CD 3.87Å
217I89.1Confident75.3Confident0 Ų077.5 Ų77.50%040%0.403CS..EExtended strand (participates in β ladder)trans-119.7130.3175.5-61.3-172.1000109.2I215 I219 K242 Y243 V245 V254 L258 Y288 F293I215-I217 HydrophobicContact CG2-CG1 4.27Å; I217-I219 PolarHBondContact O-N 2.89Å; I217-K242 CarbonylContact O-C 3.51Å; I217-K242 VanDerWaalsContact O-CA 3.29Å; I217-K242 WeakPolarHBondContact O-CA 3.12Å; I217-Y243 PolarHBondContact N-O 3.4Å; I217-Y243 PolarHBondContact O-N 3.31Å; I217-V245 HydrophobicContact CD1-CG2 3.33Å; I217-V245 HydrophobicContact CG1-CG2 3.88Å; I217-V254 HydrophobicContact CD1-CG1 4.46Å; I217-L258 HydrophobicContact CD1-CD1 4.47Å; I217-L258 HydrophobicContact CD1-CD2 4.15Å; I217-L258 HydrophobicContact CG2-CD2 3.54Å; I217-Y288 HydrophobicContact CD1-CE1 4.41Å; I217-Y288 HydrophobicContact CG2-CE1 4.06Å; I217-F293 HydrophobicContact CD1-CZ 4.01Å
218P83.4Confident72.3Confident26 Ų2681.8 Ų81.817%0.16942%0.423CS..EExtended strand (participates in β ladder)trans-59.5134175.6-2232.8000111.9V220P218-V220 PolarHBondContact O-N 2.86Å
219I78.6Confident69.6Low54 Ų5488 Ų8828%0.27746%0.456SS..  trans-81.3108.4172.6-61175.1000108.2I217 K221 T241I217-I219 PolarHBondContact O-N 2.89Å; I219-K221 PolarHBondContact O-N 2.94Å; I219-K221 VanDerWaalsContact O-N 3.12Å; I219-T241 VanDerWaalsContact CB-O 3.3Å; I219-T241 WeakPolarHBondContact CB-O 3.24Å; I219-T241 VanDerWaalsContact CG1-O 3.26Å; I219-T241 WeakPolarHBondContact CG1-O 3.42Å; I219-T241 PolarHBondContact N-O 2.76Å; I219-T241 VanDerWaalsContact N-O 3.12Å
220V67.3Low66.6Low76 Ų7690.1 Ų90.146%0.46147%0.471SS..  trans-75.3101167.7-174.40000107.4P218 S222P218-V220 PolarHBondContact O-N 2.86Å; V220-S222 PolarHBondContact O-N 3.29Å
221K55.9Low63.5Low172 Ų17292.4 Ų92.475%0.74849%0.493SS*.  trans-60.5108.2169-71.9-176.5-179.8-179.90107.5I219 S223I219-K221 PolarHBondContact O-N 2.94Å; I219-K221 VanDerWaalsContact O-N 3.12Å; K221-S223 PolarHBondContact O-N 3.41Å
222S48.1Very low60.4Low98 Ų98100 Ų10069%0.68553%0.534SS*.  trans-56.5124.5165.557.80000107.2V220 K224V220-S222 PolarHBondContact O-N 3.29Å; S222-K224 PolarHBondContact O-N 3.47Å
223S43.9Very low57.5Low123 Ų123105.5 Ų105.586%0.8656%0.558SS**SBendtrans-7056.3-178.148.60000112.3K221K221-S223 PolarHBondContact O-N 3.41Å
224K43.8Very low54.5Low184 Ų184111.4 Ų111.480%0.859%0.594SS**  trans-152.467.9172.5-70.5-167.8180175.20110.4S222S222-K224 PolarHBondContact O-N 3.47Å
225E37.5Very low51.6Low178 Ų178116.2 Ų116.283%0.83262%0.621SS**  trans-159.7100146.8-109.9163.4-150.300109T227E225-T227 PolarHBondContact O-N 2.85Å
226N34.1Very low48.9Very low165 Ų165124.9 Ų124.988%0.88267%0.667SS**  trans-65104163.4-74.6-22.2000107.9
227T33.2Very low46.6Very low106 Ų106126.5 Ų126.565%0.6568%0.679SS**  trans-137.4110.3154.552.90000108.7E225 I229E225-T227 PolarHBondContact O-N 2.85Å; T227-I229 PolarHBondContact O-N 3.17Å
228N32.4Very low44.6Very low162 Ų162135 Ų13587%0.86672%0.724SS**  trans-39.6107.7169.8-56.1-25.3000110.6
229I39.1Very low43.1Very low152 Ų152140.2 Ų140.278%0.77975%0.75SS**  trans-118.6112.3159.4-61.9178.5000104.9T227T227-I229 PolarHBondContact O-N 3.17Å
230E33.2Very low42.4Very low183 Ų183143.4 Ų143.486%0.85576%0.764SS**  trans-54132-179.8-67.4167.9164.400109.7D232E230-D232 PolarHBondContact O-N 3.46Å; E230-D232 VanDerWaalsContact O-N 3.11Å
231T31.3Very low42.9Very low120 Ų120143.2 Ų143.274%0.73676%0.764SS**  trans-67.799178.440.70000109.9E233T231-E233 PolarHBondContact O-N 3.12Å
232D33.1Very low44.3Very low161 Ų161140.6 Ų140.686%0.86175%0.752SS**  trans-79.4103.6155.5-94.2-20.6000108.3E230 T234E230-D232 PolarHBondContact O-N 3.46Å; E230-D232 VanDerWaalsContact O-N 3.11Å; D232-T234 VanDerWaalsContact C-N 3.28Å; D232-T234 PolarHBondContact O-N 2.85Å
233E37.1Very low46.3Very low177 Ų177138.3 Ų138.383%0.82773%0.729SS**  trans-74.962.4-178.7-65-175.2152.800112.6T231T231-E233 PolarHBondContact O-N 3.12Å
234T34.4Very low48.7Very low124 Ų124136.1 Ų136.176%0.76171%0.707SS**  trans-158.775.4164.749.40000112.1D232D232-T234 VanDerWaalsContact C-N 3.28Å; D232-T234 PolarHBondContact O-N 2.85Å
235D38.3Very low51.3Low149 Ų149127.4 Ų127.480%0.79767%0.669SS**  trans-170113.6136.8-112.2-22.4000111.3S237D235-S237 PolarHBondContact O-N 3.11Å
236N39.2Very low54.2Low181 Ų181120.6 Ų120.697%0.96864%0.64SS**  trans-81.438.9-174.3-117.3-12.7000112.7
237S46.6Very low57.2Low65 Ų65112.9 Ų112.946%0.45560%0.599SS.*SBendtrans-119.9113.9166.773.80000108.1D235 N239D235-S237 PolarHBondContact O-N 3.11Å; S237-N239 PolarHBondContact O-N 2.72Å
238L46.9Very low60.2Low180 Ų180113.8 Ų113.894%0.94259%0.594SS**  trans-59.384.9166.7-73.4139.4000107.4E240L238-E240 PolarHBondContact O-N 3.12Å
239N51.5Low63.3Low134 Ų134106.6 Ų106.672%0.71756%0.557SS**  trans-69.275.7167.7-80-29000106.6S237 T241S237-N239 PolarHBondContact O-N 2.72Å; N239-T241 PolarHBondContact O-N 2.98Å
240E63.5Low65.9Low121 Ų121103.2 Ų103.257%0.56554%0.536SS*.  trans-54.4106.5167.5-171.1175.8-152.100106.3L238 K242L238-E240 PolarHBondContact O-N 3.12Å; E240-K242 WeakPolarHBondContact O-CG 3.4Å; E240-K242 PolarHBondContact O-N 2.67Å
241T77.2Confident68.9Low73 Ų7394.8 Ų94.845%0.44850%0.497SS..  trans-63.5122.3179.848.10000108I219 N239I219-T241 VanDerWaalsContact CB-O 3.3Å; I219-T241 WeakPolarHBondContact CB-O 3.24Å; I219-T241 VanDerWaalsContact CG1-O 3.26Å; I219-T241 WeakPolarHBondContact CG1-O 3.42Å; I219-T241 PolarHBondContact N-O 2.76Å; I219-T241 VanDerWaalsContact N-O 3.12Å; N239-T241 PolarHBondContact O-N 2.98Å
242K86.1Confident71.8Confident117 Ų11791.3 Ų91.351%0.50948%0.477SS..EExtended strand (participates in β ladder)trans-109137.6-179.7-58.4-176-170.4175.40109.9P216 I217 E240P216-K242 HydrophobicContact CB-CB 4.34Å; P216-K242 HydrophobicContact CB-CD 3.87Å; I217-K242 CarbonylContact O-C 3.51Å; I217-K242 VanDerWaalsContact O-CA 3.29Å; I217-K242 WeakPolarHBondContact O-CA 3.12Å; E240-K242 WeakPolarHBondContact O-CG 3.4Å; E240-K242 PolarHBondContact O-N 2.67Å
243Y90.6Very high74.6Confident49 Ų4987 Ų8719%0.19245%0.454CS..EExtended strand (participates in β ladder)trans-84.2129.7167.6179.6-95000108.8I217 V245 V254 H257I217-Y243 PolarHBondContact N-O 3.4Å; I217-Y243 PolarHBondContact O-N 3.31Å; Y243-V245 HydrophobicContact CD1-CG2 3.87Å; Y243-V245 HydrophobicContact CE1-CG2 3.88Å; Y243-V254 HydrophobicContact CE1-CG2 3.99Å; Y243-H257 AromaticContact CD2-CE1 3.45Å; Y243-H257 VanDerWaalsContact CD2-CE1 3.45Å; Y243-H257 WeakPolarHBondContact CD2-CE1 3.38Å; Y243-H257 AromaticContact CD2-ND1 3.76Å; Y243-H257 AromaticContact CD2-NE2 3.71Å; Y243-H257 AromaticContact CE2-CE1 3.67Å; Y243-H257 AromaticContact CG-ND1 3.9Å
244L94.7Very high77.2Confident78 Ų7878.6 Ų78.641%0.40842%0.415SS..EExtended strand (participates in β ladder)trans-96.4109.1-178.8-165.365.8000110.2E214 T246E214-L244 HydrophobicContact CB-CD1 3.93Å; E214-L244 HydrophobicContact CB-CD2 4.3Å; E214-L244 HydrophobicContact CB-CG 4.3Å; E214-L244 HydrophobicContact CG-CD2 4.05Å; E214-L244 HydrophobicContact CG-CG 4.47Å; L244-T246 HydrophobicContact CG-CG2 4.38Å
245V96.9Very high79.8Confident0 Ų078.9 Ų78.90%040%0.402CS..EExtended strand (participates in β ladder)trans-80.8130.6172.6-168.50000109F213 I215 I217 Y243 V254 F293 I302F213-V245 HydrophobicContact CE2-CG1 4.21Å; I215-V245 HydrophobicContact CB-CB 4.2Å; I215-V245 PolarHBondContact N-O 2.82Å; I215-V245 PolarHBondContact O-N 3.25Å; I217-V245 HydrophobicContact CD1-CG2 3.33Å; I217-V245 HydrophobicContact CG1-CG2 3.88Å; Y243-V245 HydrophobicContact CD1-CG2 3.87Å; Y243-V245 HydrophobicContact CE1-CG2 3.88Å; V245-V254 HydrophobicContact CG1-CG2 3.8Å; V245-V254 HydrophobicContact CG2-CG1 4.06Å; V245-V254 HydrophobicContact CG2-CG2 4.12Å; V245-F293 HydrophobicContact CG1-CE1 4.14Å; V245-I302 HydrophobicContact CG1-CD1 3.64Å
246T97.9Very high82.2Confident36 Ų3678.3 Ų78.322%0.22140%0.395CS..  trans-124.9167.1178.170.10000108.9F213 L244 F248 S249F213-T246 VanDerWaalsContact CE2-C 3.47Å; F213-T246 WeakPolarHBondContact O-CA 3.34Å; L244-T246 HydrophobicContact CG-CG2 4.38Å; T246-F248 PolarHBondContact O-N 3.34Å; T246-F248 PolarHBondContact OG1-N 3.11Å; T246-S249 PolarHBondContact N-OG 2.97Å; T246-S249 WeakPolarHBondContact O-CB 3.29Å; T246-S249 PolarHBondContact O-N 2.88Å; T246-S249 PolarHBondContact O-OG 3.28Å; T246-S249 PolarHBondContact OG1-N 2.79Å; T246-S249 PolarHBondContact OG1-OG 2.82Å
247P97.3Very high84.4Confident3 Ų371.9 Ų71.92%0.01936%0.359CS..THydrogen-bonded Turntrans-61.8-9.5173.227.5-40.3000114.2T197 Q199 R210 C211 L212 F213T197-P247 HydrophobicContact CG2-CB 3.92Å; Q199-P247 PolarHBondContact NE2-O 2.97Å; Q199-P247 VanDerWaalsContact NE2-O 3.09Å; R210-P247 HydrophobicContact CG-CB 3.86Å; R210-P247 HydrophobicContact CG-CG 3.98Å; C211-P247 WeakPolarHBondContact O-CG 3.47Å; L212-P247 HydrophobicContact CD2-CG 4.16Å; F213-P247 HydrophobicContact CD1-CB 4.43Å; F213-P247 HydrophobicContact CE1-CB 3.97Å; F213-P247 HydrophobicContact CZ-CB 4.25Å; F213-P247 VanDerWaalsContact O-CD 3.26Å; F213-P247 WeakPolarHBondContact O-CD 3.47Å
248F96.9Very high86.1Confident124 Ų12468.9 Ų68.954%0.54434%0.337SS..THydrogen-bonded Turntrans-98.7-10177.4-55.7-75000113.3R210 L212 T246R210-F248 VanDerWaalsContact NH1-CE1 3.29Å; L212-F248 HydrophobicContact CD2-CE2 3.77Å; L212-F248 HydrophobicContact CD2-CZ 4.07Å; T246-F248 PolarHBondContact O-N 3.34Å; T246-F248 PolarHBondContact OG1-N 3.11Å
249S96.6Very high87.2Confident12 Ų1265.6 Ų65.68%0.08432%0.32CS..  trans-64.3137.3179-61.90000110.7T246T246-S249 PolarHBondContact N-OG 2.97Å; T246-S249 WeakPolarHBondContact O-CB 3.29Å; T246-S249 PolarHBondContact O-N 2.88Å; T246-S249 PolarHBondContact O-OG 3.28Å; T246-S249 PolarHBondContact OG1-N 2.79Å; T246-S249 PolarHBondContact OG1-OG 2.82Å
250K95.7Very high88Confident80 Ų8063 Ų6335%0.34831%0.311SS..BIsolated β-bridgetrans-81.6143.5171.6-69.5-64.6-168.7174.50110.4S252 D253 V254 S299 C301K250-S252 VanDerWaalsContact C-N 3.26Å; K250-S252 PolarHBondContact O-N 3.4Å; K250-D253 PolarHBondContact O-N 3Å; K250-D253 VanDerWaalsContact O-N 3.16Å; K250-V254 WeakPolarHBondContact O-CG2 3.25Å; K250-V254 PolarHBondContact O-N 3.41Å; K250-V254 VanDerWaalsContact O-N 3.11Å; K250-S299 PolarHBondContact NZ-O 3.26Å; K250-C301 PolarHBondContact NZ-SG 3.23Å
251W94.7Very high88.3Confident7 Ų760.2 Ų60.23%0.02731%0.306CS..Hα-helixtrans-62.9-33.8179.8-179.2-119.7000112.5D253 V254 R255 L258 M262 Y286 F293 I295 E300W251-D253 PolarHBondContact O-N 3.06Å; W251-V254 HydrophobicContact CE3-CB 3.93Å; W251-V254 HydrophobicContact CE3-CG1 3.95Å; W251-V254 HydrophobicContact CZ3-CB 4.18Å; W251-V254 HydrophobicContact CZ3-CG1 3.68Å; W251-V254 PolarHBondContact O-N 3.36Å; W251-R255 HydrophobicContact CD2-CB 4.36Å; W251-R255 HydrophobicContact CZ2-CB 4.24Å; W251-R255 HydrophobicContact CZ2-CG 4.41Å; W251-R255 WeakPolarHBondContact O-CA 3.48Å; W251-R255 WeakPolarHBondContact O-CB 3.45Å; W251-R255 PolarHBondContact O-N 3.46Å; W251-L258 HydrophobicContact CH2-CD1 4.18Å; W251-L258 HydrophobicContact CZ3-CD1 4.33Å; W251-M262 HydrophobicContact CH2-CE 4Å; W251-M262 HydrophobicContact CH2-SD 3.95Å; W251-M262 HydrophobicContact CZ2-CE 4.1Å; W251-M262 HydrophobicContact CZ2-SD 4.2Å; W251-Y286 AromaticContact CE2-CD2 3.72Å; W251-Y286 AromaticContact CE2-CE2 3.89Å; W251-Y286 AromaticContact CE2-CG 3.89Å; W251-Y286 HydrophobicContact CH2-CD2 4.37Å; W251-Y286 AromaticContact CH2-CG 3.98Å; W251-Y286 HydrophobicContact CH2-CG 3.98Å; W251-Y286 AromaticContact CZ2-CD1 3.63Å; W251-Y286 HydrophobicContact CZ2-CD1 3.63Å; W251-Y286 AromaticContact CZ2-CD2 3.64Å; W251-Y286 HydrophobicContact CZ2-CD2 3.64Å; W251-Y286 HydrophobicContact CZ2-CE1 4.18Å; W251-Y286 HydrophobicContact CZ2-CE2 4.19Å; W251-Y286 AromaticContact CZ2-CG 3.31Å; W251-Y286 HydrophobicContact CZ2-CG 3.31Å; W251-Y286 AromaticContact NE1-CD2 3.83Å; W251-Y286 AromaticContact NE1-CE1 3.99Å; W251-Y286 AromaticContact NE1-CE2 3.48Å; W251-Y286 AromaticContact NE1-CZ 3.57Å; W251-F293 HydrophobicContact CE3-CB 4.22Å; W251-F293 HydrophobicContact CE3-CG 4.44Å; W251-F293 HydrophobicContact CH2-CB 4.12Å; W251-F293 HydrophobicContact CH2-CD2 4.1Å; W251-F293 HydrophobicContact CH2-CG 4.3Å; W251-F293 HydrophobicContact CZ3-CB 3.62Å; W251-F293 HydrophobicContact CZ3-CD1 4.31Å; W251-F293 AromaticContact CZ3-CD2 3.76Å; W251-F293 HydrophobicContact CZ3-CD2 3.76Å; W251-F293 AromaticContact CZ3-CG 3.63Å; W251-F293 HydrophobicContact CZ3-CG 3.63Å; W251-I295 HydrophobicContact CB-CD1 3.9Å; W251-I295 HydrophobicContact CB-CG1 4.14Å; W251-I295 HydrophobicContact CB-CG2 3.77Å; W251-I295 HydrophobicContact CD2-CD1 3.71Å; W251-I295 HydrophobicContact CD2-CG1 3.68Å; W251-I295 HydrophobicContact CE3-CD1 3.61Å; W251-I295 HydrophobicContact CE3-CG1 4.03Å; W251-I295 HydrophobicContact CG-CB 4.44Å; W251-I295 HydrophobicContact CG-CD1 3.84Å; W251-I295 HydrophobicContact CG-CG1 3.71Å; W251-I295 HydrophobicContact CG-CG2 3.93Å; W251-I295 HydrophobicContact CZ3-CD1 4.4Å; W251-E300 HydrophobicContact CB-CB 4.48Å; W251-E300 WeakPolarHBondContact CB-O 3.38Å; W251-E300 PolarHBondContact N-O 3.3Å
252S92.2Very high87.9Confident46 Ų4658.1 Ų58.132%0.32229%0.291SS..Hα-helixtrans-50.9-46.8172.9540000112.1K250 Q256K250-S252 VanDerWaalsContact C-N 3.26Å; K250-S252 PolarHBondContact O-N 3.4Å; S252-Q256 PolarHBondContact O-N 2.86Å; S252-Q256 VanDerWaalsContact O-N 3.11Å
253D92.1Very high86.9Confident71 Ų7160.3 Ų60.338%0.3831%0.308SS..Hα-helixtrans-75.7-45.5-174.6-51.6-19.7000110K250 W251 R255 Q256 H257K250-D253 PolarHBondContact O-N 3Å; K250-D253 VanDerWaalsContact O-N 3.16Å; W251-D253 PolarHBondContact O-N 3.06Å; D253-R255 VanDerWaalsContact C-N 3.33Å; D253-R255 PolarHBondContact O-N 2.89Å; D253-Q256 PolarHBondContact O-N 2.72Å; D253-H257 PolarHBondContact O-CE1 2.88Å; D253-H257 PolarHBondContact O-ND1 3.4Å
254V92.2Very high86.2Confident1 Ų162.5 Ų62.51%0.00633%0.327CS..Hα-helixtrans-58.5-48.9175.3179.30000109.9I217 Y243 V245 K250 W251 Q256 H257 L258 I302I217-V254 HydrophobicContact CD1-CG1 4.46Å; Y243-V254 HydrophobicContact CE1-CG2 3.99Å; V245-V254 HydrophobicContact CG1-CG2 3.8Å; V245-V254 HydrophobicContact CG2-CG1 4.06Å; V245-V254 HydrophobicContact CG2-CG2 4.12Å; K250-V254 WeakPolarHBondContact O-CG2 3.25Å; K250-V254 PolarHBondContact O-N 3.41Å; K250-V254 VanDerWaalsContact O-N 3.11Å; W251-V254 HydrophobicContact CE3-CB 3.93Å; W251-V254 HydrophobicContact CE3-CG1 3.95Å; W251-V254 HydrophobicContact CZ3-CB 4.18Å; W251-V254 HydrophobicContact CZ3-CG1 3.68Å; W251-V254 PolarHBondContact O-N 3.36Å; V254-Q256 VanDerWaalsContact C-N 3.31Å; V254-Q256 PolarHBondContact O-N 2.89Å; V254-H257 PolarHBondContact O-N 3.15Å; V254-H257 VanDerWaalsContact O-N 3.14Å; V254-L258 HydrophobicContact CG1-CD1 3.77Å; V254-L258 HydrophobicContact CG1-CG 4.42Å; V254-L258 WeakPolarHBondContact O-CG 3.41Å; V254-L258 PolarHBondContact O-N 2.91Å; V254-I302 HydrophobicContact CG2-CD1 4.42Å
255R89.6Confident85.7Confident130 Ų13067.3 Ų67.349%0.49135%0.347SS..Hα-helixtrans-59.5-39.9-178.3-174.7179.9-176.5-1772.2111.6W251 D253 H257 L258 I259W251-R255 HydrophobicContact CD2-CB 4.36Å; W251-R255 HydrophobicContact CZ2-CB 4.24Å; W251-R255 HydrophobicContact CZ2-CG 4.41Å; W251-R255 WeakPolarHBondContact O-CA 3.48Å; W251-R255 WeakPolarHBondContact O-CB 3.45Å; W251-R255 PolarHBondContact O-N 3.46Å; D253-R255 VanDerWaalsContact C-N 3.33Å; D253-R255 PolarHBondContact O-N 2.89Å; R255-H257 PolarHBondContact O-N 3.48Å; R255-L258 CarbonylContact O-C 3.52Å; R255-L258 WeakPolarHBondContact O-CA 3.49Å; R255-L258 PolarHBondContact O-N 2.98Å; R255-I259 HydrophobicContact CG-CG1 4.49Å; R255-I259 WeakPolarHBondContact O-CG1 3.28Å; R255-I259 PolarHBondContact O-N 3.34Å
256Q87.6Confident85.4Confident137 Ų13769.4 Ų69.464%0.6436%0.361SS*.Hα-helixtrans-55-37.9178.2-172.8177.45.900112.6S252 D253 V254 L258S252-Q256 PolarHBondContact O-N 2.86Å; S252-Q256 VanDerWaalsContact O-N 3.11Å; D253-Q256 PolarHBondContact O-N 2.72Å; V254-Q256 VanDerWaalsContact C-N 3.31Å; V254-Q256 PolarHBondContact O-N 2.89Å; Q256-L258 VanDerWaalsContact C-N 3.29Å
257H85.1Confident85.1Confident46 Ų4672.3 Ų72.321%0.21338%0.378CS..Hα-helixtrans-79.5-13.7178.4-60.288.2000113.1Y243 D253 V254 R255Y243-H257 AromaticContact CD2-CE1 3.45Å; Y243-H257 VanDerWaalsContact CD2-CE1 3.45Å; Y243-H257 WeakPolarHBondContact CD2-CE1 3.38Å; Y243-H257 AromaticContact CD2-ND1 3.76Å; Y243-H257 AromaticContact CD2-NE2 3.71Å; Y243-H257 AromaticContact CE2-CE1 3.67Å; Y243-H257 AromaticContact CG-ND1 3.9Å; D253-H257 PolarHBondContact O-CE1 2.88Å; D253-H257 PolarHBondContact O-ND1 3.4Å; V254-H257 PolarHBondContact O-N 3.15Å; V254-H257 VanDerWaalsContact O-N 3.14Å; R255-H257 PolarHBondContact O-N 3.48Å
258L83.3Confident84.8Confident1 Ų175 Ų751%0.00540%0.395CS..Hα-helixtrans-106.2-9.3-176.9-62.9-178.2000114.2I217 W251 V254 R255 Q256 S260 S261 M262 Y288 F293I217-L258 HydrophobicContact CD1-CD1 4.47Å; I217-L258 HydrophobicContact CD1-CD2 4.15Å; I217-L258 HydrophobicContact CG2-CD2 3.54Å; W251-L258 HydrophobicContact CH2-CD1 4.18Å; W251-L258 HydrophobicContact CZ3-CD1 4.33Å; V254-L258 HydrophobicContact CG1-CD1 3.77Å; V254-L258 HydrophobicContact CG1-CG 4.42Å; V254-L258 WeakPolarHBondContact O-CG 3.41Å; V254-L258 PolarHBondContact O-N 2.91Å; R255-L258 CarbonylContact O-C 3.52Å; R255-L258 WeakPolarHBondContact O-CA 3.49Å; R255-L258 PolarHBondContact O-N 2.98Å; Q256-L258 VanDerWaalsContact C-N 3.29Å; L258-S260 PolarHBondContact O-N 2.98Å; L258-S260 VanDerWaalsContact O-N 3.07Å; L258-S261 PolarHBondContact O-N 3.49Å; L258-M262 HydrophobicContact CB-CG 3.96Å; L258-M262 HydrophobicContact CB-SD 3.62Å; L258-M262 HydrophobicContact CD1-SD 3.74Å; L258-M262 HydrophobicContact CG-SD 4.33Å; L258-M262 PolarHBondContact O-N 3.32Å; L258-Y288 HydrophobicContact CD1-CG 4.24Å; L258-Y288 HydrophobicContact CD2-CD1 3.87Å; L258-Y288 HydrophobicContact CD2-CD2 3.73Å; L258-Y288 HydrophobicContact CD2-CE1 3.65Å; L258-Y288 HydrophobicContact CD2-CE2 3.53Å; L258-Y288 HydrophobicContact CD2-CG 3.88Å; L258-Y288 VanDerWaalsContact CD2-CZ 3.47Å; L258-F293 HydrophobicContact CD1-CE2 4.26Å
259I69.3Low84.4Confident112 Ų11271.9 Ų71.957%0.57438%0.383SS*.G310 helixtrans-52.1-38.3-169.9-60.1-173.3000112.7R255 S261R255-I259 HydrophobicContact CG-CG1 4.49Å; R255-I259 WeakPolarHBondContact O-CG1 3.28Å; R255-I259 PolarHBondContact O-N 3.34Å; I259-S261 PolarHBondContact O-N 3.08Å
260S68.3Low83.8Confident78 Ų7878 Ų7855%0.54541%0.405SS..G310 helixtrans-68.1-12.3-179.958.50000114.5L258L258-S260 PolarHBondContact O-N 2.98Å; L258-S260 VanDerWaalsContact O-N 3.07Å
261S69.1Low82.8Confident63 Ų6377.4 Ų77.444%0.44140%0.401SS..G310 helixtrans-124.10.3-167.4-53.60000113.5L258 I259L258-S261 PolarHBondContact O-N 3.49Å; I259-S261 PolarHBondContact O-N 3.08Å
262M69.2Low81.5Confident30 Ų3083.3 Ų83.315%0.14843%0.429CS..  trans-120.287.3-175.1-66.2-167.975.400111.3W251 L258 Y286 G287 Y288W251-M262 HydrophobicContact CH2-CE 4Å; W251-M262 HydrophobicContact CH2-SD 3.95Å; W251-M262 HydrophobicContact CZ2-CE 4.1Å; W251-M262 HydrophobicContact CZ2-SD 4.2Å; L258-M262 HydrophobicContact CB-CG 3.96Å; L258-M262 HydrophobicContact CB-SD 3.62Å; L258-M262 HydrophobicContact CD1-SD 3.74Å; L258-M262 HydrophobicContact CG-SD 4.33Å; L258-M262 PolarHBondContact O-N 3.32Å; M262-Y286 HydrophobicContact CE-CD1 4.03Å; M262-Y286 HydrophobicContact CE-CG 4.25Å; M262-G287 WeakPolarHBondContact CE-O 3.43Å; M262-Y288 HydrophobicContact CG-CD2 4.49Å
263D65.6Low80Confident162 Ų16284.2 Ų84.287%0.86644%0.435SS*.  trans-92.14.3178.5-76.2-22.4000113.9
264T75.5Confident78.3Confident95 Ų9591 Ų9158%0.58346%0.461SS*.SBendtrans-107.7138.6-172.6520000113.3
265E84.9Confident76.7Confident180 Ų18097.4 Ų97.484%0.84150%0.503SS*.PPolyproline II helixtrans-64145.7168.8-68.1-172.515700110.6
266P90.7Very high75.5Confident43 Ų4397.4 Ų97.428%0.27951%0.508SS..PPolyproline II helixtrans-68.4148.5178.926.7-33.3000112.4H284 A285 Y286P266-H284 HydrophobicContact CB-CB 3.98Å; P266-H284 HydrophobicContact CG-CB 4.46Å; P266-A285 CarbonylContact C-O 3.57Å; P266-A285 VanDerWaalsContact CA-O 3.24Å; P266-A285 WeakPolarHBondContact CA-O 3.41Å; P266-A285 WeakPolarHBondContact CB-O 3.49Å; P266-Y286 HydrophobicContact CB-CD1 3.85Å; P266-Y286 HydrophobicContact CB-CD2 4.27Å; P266-Y286 HydrophobicContact CB-CE1 3.55Å; P266-Y286 HydrophobicContact CB-CE2 4Å; P266-Y286 HydrophobicContact CB-CG 4.21Å; P266-Y286 HydrophobicContact CG-CD1 4.45Å; P266-Y286 HydrophobicContact CG-CE1 3.71Å
267V91.3Very high74.8Confident97 Ų9798.5 Ų98.559%0.58851%0.513SS*.EExtended strand (participates in β ladder)trans-83.3124.4168.6-179.90000109A285V267-A285 HydrophobicContact CB-CB 4.34Å; V267-A285 PolarHBondContact N-O 3.19Å; V267-A285 PolarHBondContact O-N 3.35Å
268V91Very high74.7Confident61 Ų6197.3 Ų97.337%0.3751%0.509SS..EExtended strand (participates in β ladder)trans-84.2125.5178.7-174.70000110.3Y270 P282V268-Y270 HydrophobicContact CB-CE2 4.31Å; V268-Y270 HydrophobicContact CG1-CD2 4.31Å; V268-Y270 HydrophobicContact CG1-CE2 3.72Å; V268-P282 HydrophobicContact CG1-CB 3.58Å; V268-P282 HydrophobicContact CG1-CG 3.94Å
269I88.8Confident74.8Confident58 Ų58102.3 Ų102.330%0.29754%0.541SS..EExtended strand (participates in β ladder)trans-115.7114.7-177.3-54.2175.7000109.5R271 P282 T283 A285 E294I269-R271 HydrophobicContact CG2-CG 3.7Å; I269-P282 CarbonylContact O-C 3.57Å; I269-P282 WeakPolarHBondContact O-CA 3.36Å; I269-P282 VanDerWaalsContact O-CB 3.26Å; I269-P282 WeakPolarHBondContact O-CB 3.46Å; I269-T283 PolarHBondContact N-O 3.37Å; I269-T283 PolarHBondContact O-N 2.58Å; I269-T283 PolarHBondContact O-OG1 2.64Å; I269-A285 HydrophobicContact CD1-CB 3.73Å; I269-A285 HydrophobicContact CG1-CB 4.37Å; I269-E294 HydrophobicContact CD1-CG 4.45Å
270Y83.8Confident75.7Confident140 Ų140102.2 Ų102.255%0.54954%0.537SS..  trans-85-22.5-176.3-68.9-91.8000114.6V268 E272 N278 P282V268-Y270 HydrophobicContact CB-CE2 4.31Å; V268-Y270 HydrophobicContact CG1-CD2 4.31Å; V268-Y270 HydrophobicContact CG1-CE2 3.72Å; Y270-E272 PolarHBondContact O-N 3.25Å; Y270-N278 PolarHBondContact O-ND2 3.48Å; Y270-P282 HydrophobicContact CD1-CB 3.92Å; Y270-P282 HydrophobicContact CD1-CG 4.3Å; Y270-P282 HydrophobicContact CE1-CB 4.14Å; Y270-P282 HydrophobicContact CE1-CG 4.13Å; Y270-P282 HydrophobicContact CG-CB 4.22Å
271R73.8Confident76.6Confident68 Ų68100 Ų10026%0.25753%0.526SS..  trans43.258.8-173.7-62.3-162.8179.5-1712.1112.8E202 Y203 I269 E294E202-R271 IonicContact OE1-CZ 3.66Å; E202-R271 IonicContact OE1-NH1 3.6Å; E202-R271 PolarHBondContact OE1-NH1 2.9Å; E202-R271 IonicContact OE1-NH2 3.22Å; Y203-R271 HydrophobicContact CG-CB 4.46Å; I269-R271 HydrophobicContact CG2-CG 3.7Å; R271-E294 IonicContact CZ-OE1 3.93Å; R271-E294 IonicContact CZ-OE2 3.8Å; R271-E294 IonicContact NE-OE1 3.01Å; R271-E294 PolarHBondContact NE-OE1 2.85Å; R271-E294 VanDerWaalsContact NE-OE1 3.12Å; R271-E294 VanDerWaalsContact NH2-CD 3.27Å; R271-E294 IonicContact NH2-OE1 3.46Å; R271-E294 PolarHBondContact NH2-OE1 3.24Å; R271-E294 VanDerWaalsContact NH2-OE1 3.07Å; R271-E294 IonicContact NH2-OE2 2.76Å; R271-E294 PolarHBondContact NH2-OE2 3.3Å
272E68.5Low77.7Confident131 Ų13199 Ų9961%0.61252%0.519SS*.  trans-100.4128175.3-66.1-178.617700111.1Y270Y270-E272 PolarHBondContact O-N 3.25Å
273S59.9Low78.9Confident65 Ų6598 Ų9846%0.45551%0.514SS..BIsolated β-bridgetrans-129.4116.6161.656.90000108.4Q276S273-Q276 PolarHBondContact O-N 3Å
274K57.9Low80.3Confident212 Ų21292.7 Ų92.792%0.92248%0.484SS*.THydrogen-bonded Turntrans-55.4132.7174.4-70.3-176.9177.8-179.50108.7
275P57.7Low81.2Confident136 Ų13688.7 Ų88.788%0.88346%0.46SS*.THydrogen-bonded Turncis-97.7-11236.8-34.1000115.7
276Q64.8Low81.7Confident130 Ų13081.4 Ų81.461%0.60743%0.425SS*.BIsolated β-bridgetrans-87.4118.7-175.4-76.8177-19.500111.2S273S273-Q276 PolarHBondContact O-N 3Å
277Q72.9Confident81.7Confident160 Ų16081 Ų8175%0.74843%0.428SS*.  trans-81.6131.6170.3-126.8175.7600108.8P279Q277-P279 VanDerWaalsContact O-CD 3.23Å; Q277-P279 WeakPolarHBondContact O-CD 3.42Å
278N82.4Confident81.7Confident22 Ų2276.9 Ų76.912%0.11840%0.403CS..  trans-65.3111.5173.7172.59.6000109.2Y203 Y270 F280 G281Y203-N278 HydrophobicContact CD2-CB 4.05Å; Y270-N278 PolarHBondContact O-ND2 3.48Å; N278-F280 PolarHBondContact O-N 3.18Å; N278-F280 PolarHBondContact OD1-N 2.76Å; N278-F280 VanDerWaalsContact OD1-N 3.09Å; N278-G281 PolarHBondContact ND2-O 2.95Å
279P84.8Confident81.6Confident106 Ų10677 Ų7769%0.68840%0.399SS*.THydrogen-bonded Turntrans-76.5-12.3-173.932.9-35.9000113.1Q277Q277-P279 VanDerWaalsContact O-CD 3.23Å; Q277-P279 WeakPolarHBondContact O-CD 3.42Å
280F88Confident81.8Confident110 Ų11074.3 Ų74.348%0.48239%0.385SS..THydrogen-bonded Turntrans-93-6.8-174.5-54.2-64000113.8G201 N278G201-F280 WeakPolarHBondContact O-CB 3.23Å; G201-F280 WeakPolarHBondContact O-CG 3.47Å; N278-F280 PolarHBondContact O-N 3.18Å; N278-F280 PolarHBondContact OD1-N 2.76Å; N278-F280 VanDerWaalsContact OD1-N 3.09Å
281G88.4Confident82.3Confident31 Ų3167.7 Ų67.732%0.3236%0.359SS..  trans82178.9-174.900000113.3N278N278-G281 PolarHBondContact ND2-O 2.95Å
282P92.1Very high83.4Confident43 Ų4367 Ų6728%0.27936%0.36SS..  trans-75.2156.9-175.131.7-35.7000112.6V268 I269 Y270 P297V268-P282 HydrophobicContact CG1-CB 3.58Å; V268-P282 HydrophobicContact CG1-CG 3.94Å; I269-P282 CarbonylContact O-C 3.57Å; I269-P282 WeakPolarHBondContact O-CA 3.36Å; I269-P282 VanDerWaalsContact O-CB 3.26Å; I269-P282 WeakPolarHBondContact O-CB 3.46Å; Y270-P282 HydrophobicContact CD1-CB 3.92Å; Y270-P282 HydrophobicContact CD1-CG 4.3Å; Y270-P282 HydrophobicContact CE1-CB 4.14Å; Y270-P282 HydrophobicContact CE1-CG 4.13Å; Y270-P282 HydrophobicContact CG-CB 4.22Å; P282-P297 VanDerWaalsContact O-CD 3.22Å; P282-P297 WeakPolarHBondContact O-CD 3.25Å; P282-P297 WeakPolarHBondContact O-CG 3.47Å
283T94Very high84.7Confident9 Ų960.8 Ų60.86%0.05533%0.331CS..EExtended strand (participates in β ladder)trans-98.5159.8168.252.20000110.9I269 E294 I295 A303I269-T283 PolarHBondContact N-O 3.37Å; I269-T283 PolarHBondContact O-N 2.58Å; I269-T283 PolarHBondContact O-OG1 2.64Å; T283-E294 WeakPolarHBondContact CB-OE1 3.47Å; T283-E294 HydrophobicContact CG2-CG 4.18Å; T283-E294 WeakPolarHBondContact OG1-CG 3.45Å; T283-E294 PolarHBondContact OG1-OE1 3.07Å; T283-I295 CarbonylContact C-O 3.57Å; T283-I295 VanDerWaalsContact CA-O 3.31Å; T283-I295 WeakPolarHBondContact CA-O 3.26Å; T283-I295 WeakPolarHBondContact CB-O 3.3Å; T283-A303 HydrophobicContact CG2-CB 4.46Å
284H95Very high86.4Confident50 Ų5058.2 Ų58.223%0.23131%0.312CS..EExtended strand (participates in β ladder)trans-113.3122.7177.1-67.3163.4000110.2P266 Y286 E294 I295P266-H284 HydrophobicContact CB-CB 3.98Å; P266-H284 HydrophobicContact CG-CB 4.46Å; H284-Y286 HydrophobicContact CB-CD2 4.33Å; H284-Y286 HydrophobicContact CB-CE2 3.6Å; H284-E294 CarbonylContact O-C 3.54Å; H284-I295 PolarHBondContact N-O 3.33Å; H284-I295 PolarHBondContact O-N 3.18Å
285A95Very high88.2Confident10 Ų1048.3 Ų48.38%0.08327%0.269CS..EExtended strand (participates in β ladder)trans-99125.5178.500000111.4P266 V267 I269 I292 F293P266-A285 CarbonylContact C-O 3.57Å; P266-A285 VanDerWaalsContact CA-O 3.24Å; P266-A285 WeakPolarHBondContact CA-O 3.41Å; P266-A285 WeakPolarHBondContact CB-O 3.49Å; V267-A285 HydrophobicContact CB-CB 4.34Å; V267-A285 PolarHBondContact N-O 3.19Å; V267-A285 PolarHBondContact O-N 3.35Å; I269-A285 HydrophobicContact CD1-CB 3.73Å; I269-A285 HydrophobicContact CG1-CB 4.37Å; A285-I292 HydrophobicContact CB-CG2 3.8Å; A285-F293 CarbonylContact C-O 3.56Å; A285-F293 WeakPolarHBondContact CA-O 3.49Å
286Y94.3Very high90Very high28 Ų2842 Ų4211%0.1123%0.228CC..EExtended strand (participates in β ladder)trans-117.2122.8-177.6-69.3-87.9000109.7W251 M262 P266 H284 I292 F293 I295W251-Y286 AromaticContact CE2-CD2 3.72Å; W251-Y286 AromaticContact CE2-CE2 3.89Å; W251-Y286 AromaticContact CE2-CG 3.89Å; W251-Y286 HydrophobicContact CH2-CD2 4.37Å; W251-Y286 AromaticContact CH2-CG 3.98Å; W251-Y286 HydrophobicContact CH2-CG 3.98Å; W251-Y286 AromaticContact CZ2-CD1 3.63Å; W251-Y286 HydrophobicContact CZ2-CD1 3.63Å; W251-Y286 AromaticContact CZ2-CD2 3.64Å; W251-Y286 HydrophobicContact CZ2-CD2 3.64Å; W251-Y286 HydrophobicContact CZ2-CE1 4.18Å; W251-Y286 HydrophobicContact CZ2-CE2 4.19Å; W251-Y286 AromaticContact CZ2-CG 3.31Å; W251-Y286 HydrophobicContact CZ2-CG 3.31Å; W251-Y286 AromaticContact NE1-CD2 3.83Å; W251-Y286 AromaticContact NE1-CE1 3.99Å; W251-Y286 AromaticContact NE1-CE2 3.48Å; W251-Y286 AromaticContact NE1-CZ 3.57Å; M262-Y286 HydrophobicContact CE-CD1 4.03Å; M262-Y286 HydrophobicContact CE-CG 4.25Å; P266-Y286 HydrophobicContact CB-CD1 3.85Å; P266-Y286 HydrophobicContact CB-CD2 4.27Å; P266-Y286 HydrophobicContact CB-CE1 3.55Å; P266-Y286 HydrophobicContact CB-CE2 4Å; P266-Y286 HydrophobicContact CB-CG 4.21Å; P266-Y286 HydrophobicContact CG-CD1 4.45Å; P266-Y286 HydrophobicContact CG-CE1 3.71Å; H284-Y286 HydrophobicContact CB-CD2 4.33Å; H284-Y286 HydrophobicContact CB-CE2 3.6Å; Y286-I292 CarbonylContact O-C 3.53Å; Y286-I292 WeakPolarHBondContact O-CA 3.4Å; Y286-F293 PolarHBondContact N-O 2.9Å; Y286-F293 PolarHBondContact O-N 2.89Å; Y286-I295 HydrophobicContact CD2-CB 4.38Å; Y286-I295 HydrophobicContact CD2-CG1 3.68Å; Y286-I295 HydrophobicContact CE2-CB 4.17Å; Y286-I295 HydrophobicContact CE2-CG1 3.88Å
287G91.5Very high91.3Very high33 Ų3338.5 Ų38.534%0.3422%0.216SC..EExtended strand (participates in β ladder)trans-87.1135.8177.700000112M262M262-G287 WeakPolarHBondContact CE-O 3.43Å
288Y90.4Very high92.3Very high12 Ų1235.8 Ų35.85%0.04722%0.215CC..EExtended strand (participates in β ladder)trans-142.7111.1168.4174.4-111.3000108.9I217 L258 M262 D290 I291I217-Y288 HydrophobicContact CD1-CE1 4.41Å; I217-Y288 HydrophobicContact CG2-CE1 4.06Å; L258-Y288 HydrophobicContact CD1-CG 4.24Å; L258-Y288 HydrophobicContact CD2-CD1 3.87Å; L258-Y288 HydrophobicContact CD2-CD2 3.73Å; L258-Y288 HydrophobicContact CD2-CE1 3.65Å; L258-Y288 HydrophobicContact CD2-CE2 3.53Å; L258-Y288 HydrophobicContact CD2-CG 3.88Å; L258-Y288 VanDerWaalsContact CD2-CZ 3.47Å; M262-Y288 HydrophobicContact CG-CD2 4.49Å; Y288-D290 PolarHBondContact O-N 2.88Å; Y288-D290 VanDerWaalsContact O-N 3.14Å; Y288-I291 PolarHBondContact N-O 2.95Å; Y288-I291 WeakPolarHBondContact O-CA 3.34Å; Y288-I291 WeakPolarHBondContact O-CB 3.34Å; Y288-I291 PolarHBondContact O-N 2.78Å
289Q90.4Very high92.8Very high64 Ų6436.6 Ų36.630%0.29922%0.223SC..THydrogen-bonded Turntrans57.7-114-179.5-54.5172.6-19.900111.9R91 N94 Y308R91-Q289 VanDerWaalsContact NH1-OE1 3.11Å; N94-Q289 HydrophobicContact CB-CG 4.09Å; N94-Q289 VanDerWaalsContact CB-NE2 3.26Å; N94-Q289 WeakPolarHBondContact O-CB 3.31Å; N94-Q289 PolarHBondContact O-OE1 3.03Å; N94-Q289 PolarHBondContact OD1-NE2 2.82Å; Q289-Y308 PolarHBondContact O-OH 3.27Å
290D92.6Very high93.3Very high1 Ų136.2 Ų36.21%0.00521%0.212CC..THydrogen-bonded Turntrans-101.317.7176.773.4-50.6000113R91 T96 Y288 Y308 P310R91-D290 IonicContact CZ-OD1 2.69Å; R91-D290 IonicContact NE-OD1 3.37Å; R91-D290 IonicContact NH2-OD1 3.6Å; R91-D290 PolarHBondContact NH2-OD1 3.25Å; T96-D290 WeakPolarHBondContact CA-OD2 3.45Å; T96-D290 WeakPolarHBondContact CB-OD2 3.33Å; T96-D290 PolarHBondContact N-OD2 3.09Å; T96-D290 PolarHBondContact OG1-OD2 3.27Å; Y288-D290 PolarHBondContact O-N 2.88Å; Y288-D290 VanDerWaalsContact O-N 3.14Å; D290-Y308 WeakPolarHBondContact CB-O 2.99Å; D290-Y308 WeakPolarHBondContact O-CD1 3.19Å; D290-Y308 VanDerWaalsContact O-CE1 3.32Å; D290-Y308 WeakPolarHBondContact O-CE1 3.1Å; D290-Y308 PolarHBondContact O-N 2.73Å; D290-P310 HydrophobicContact CB-CG 4.35Å
291I94.8Very high93.7Very high0 Ų031.7 Ų31.70%019%0.193CC..EExtended strand (participates in β ladder)trans-121.5139.1-175.6-49.1-175.4000110.4I215 Y288 F293 V305 T306 L307I215-I291 HydrophobicContact CG2-CD1 3.83Å; Y288-I291 PolarHBondContact N-O 2.95Å; Y288-I291 WeakPolarHBondContact O-CA 3.34Å; Y288-I291 WeakPolarHBondContact O-CB 3.34Å; Y288-I291 PolarHBondContact O-N 2.78Å; I291-F293 HydrophobicContact CB-CE2 4.17Å; I291-F293 HydrophobicContact CB-CZ 4.45Å; I291-F293 HydrophobicContact CD1-CZ 4.48Å; I291-F293 HydrophobicContact CG2-CD1 4.48Å; I291-F293 HydrophobicContact CG2-CD2 4.04Å; I291-F293 HydrophobicContact CG2-CE1 4.06Å; I291-F293 HydrophobicContact CG2-CE2 3.6Å; I291-F293 HydrophobicContact CG2-CG 4.46Å; I291-F293 HydrophobicContact CG2-CZ 3.6Å; I291-V305 HydrophobicContact CG2-CG1 3.39Å; I291-T306 CarbonylContact C-O 3.49Å; I291-T306 WeakPolarHBondContact CA-O 3.2Å; I291-L307 HydrophobicContact CB-CD2 4.33Å; I291-L307 HydrophobicContact CD1-CD2 4.05Å; I291-L307 HydrophobicContact CG1-CD2 3.72Å; I291-L307 HydrophobicContact CG2-CD2 4.05Å
292I95.1Very high94.1Very high54 Ų5430.2 Ų30.228%0.27718%0.178SC..EExtended strand (participates in β ladder)trans-116.6121.5166.1-49-177.9000108.5A285 Y286 V305 T306 Y308A285-I292 HydrophobicContact CB-CG2 3.8Å; Y286-I292 CarbonylContact O-C 3.53Å; Y286-I292 WeakPolarHBondContact O-CA 3.4Å; I292-V305 CarbonylContact O-C 3.57Å; I292-V305 WeakPolarHBondContact O-CA 3.47Å; I292-T306 PolarHBondContact N-O 2.96Å; I292-T306 PolarHBondContact O-N 3.43Å; I292-Y308 HydrophobicContact CD1-CD1 4.29Å; I292-Y308 HydrophobicContact CD1-CE1 4Å; I292-Y308 HydrophobicContact CG1-CD1 4.03Å; I292-Y308 HydrophobicContact CG1-CE1 3.51Å
293F96Very high94.3Very high0 Ų028.1 Ų28.10%017%0.165CC..EExtended strand (participates in β ladder)trans-94.7113.6170.4-63.2-81.6000109.3I217 V245 W251 L258 A285 Y286 I291 I295 I302 V305I217-F293 HydrophobicContact CD1-CZ 4.01Å; V245-F293 HydrophobicContact CG1-CE1 4.14Å; W251-F293 HydrophobicContact CE3-CB 4.22Å; W251-F293 HydrophobicContact CE3-CG 4.44Å; W251-F293 HydrophobicContact CH2-CB 4.12Å; W251-F293 HydrophobicContact CH2-CD2 4.1Å; W251-F293 HydrophobicContact CH2-CG 4.3Å; W251-F293 HydrophobicContact CZ3-CB 3.62Å; W251-F293 HydrophobicContact CZ3-CD1 4.31Å; W251-F293 AromaticContact CZ3-CD2 3.76Å; W251-F293 HydrophobicContact CZ3-CD2 3.76Å; W251-F293 AromaticContact CZ3-CG 3.63Å; W251-F293 HydrophobicContact CZ3-CG 3.63Å; L258-F293 HydrophobicContact CD1-CE2 4.26Å; A285-F293 CarbonylContact C-O 3.56Å; A285-F293 WeakPolarHBondContact CA-O 3.49Å; Y286-F293 PolarHBondContact N-O 2.9Å; Y286-F293 PolarHBondContact O-N 2.89Å; I291-F293 HydrophobicContact CB-CE2 4.17Å; I291-F293 HydrophobicContact CB-CZ 4.45Å; I291-F293 HydrophobicContact CD1-CZ 4.48Å; I291-F293 HydrophobicContact CG2-CD1 4.48Å; I291-F293 HydrophobicContact CG2-CD2 4.04Å; I291-F293 HydrophobicContact CG2-CE1 4.06Å; I291-F293 HydrophobicContact CG2-CE2 3.6Å; I291-F293 HydrophobicContact CG2-CG 4.46Å; I291-F293 HydrophobicContact CG2-CZ 3.6Å; F293-I295 HydrophobicContact CB-CD1 4Å; F293-I295 HydrophobicContact CB-CG1 4.5Å; F293-I302 HydrophobicContact CD1-CD1 4.41Å; F293-V305 HydrophobicContact CD1-CG1 4.3Å; F293-V305 HydrophobicContact CD1-CG2 3.81Å; F293-V305 HydrophobicContact CE1-CG1 4.15Å; F293-V305 HydrophobicContact CE1-CG2 4.01Å
294E96Very high94.4Very high11 Ų1127.8 Ų27.85%0.05116%0.162CC..EExtended strand (participates in β ladder)trans-91.8123.4171.2-174.3-179.2-173.300108.9I269 R271 T283 H284 I302 A303 S304I269-E294 HydrophobicContact CD1-CG 4.45Å; R271-E294 IonicContact CZ-OE1 3.93Å; R271-E294 IonicContact CZ-OE2 3.8Å; R271-E294 IonicContact NE-OE1 3.01Å; R271-E294 PolarHBondContact NE-OE1 2.85Å; R271-E294 VanDerWaalsContact NE-OE1 3.12Å; R271-E294 VanDerWaalsContact NH2-CD 3.27Å; R271-E294 IonicContact NH2-OE1 3.46Å; R271-E294 PolarHBondContact NH2-OE1 3.24Å; R271-E294 VanDerWaalsContact NH2-OE1 3.07Å; R271-E294 IonicContact NH2-OE2 2.76Å; R271-E294 PolarHBondContact NH2-OE2 3.3Å; T283-E294 WeakPolarHBondContact CB-OE1 3.47Å; T283-E294 HydrophobicContact CG2-CG 4.18Å; T283-E294 WeakPolarHBondContact OG1-CG 3.45Å; T283-E294 PolarHBondContact OG1-OE1 3.07Å; H284-E294 CarbonylContact O-C 3.54Å; E294-I302 CarbonylContact O-C 3.58Å; E294-A303 HydrophobicContact CB-CB 4.45Å; E294-A303 HydrophobicContact CG-CB 4.18Å; E294-A303 WeakPolarHBondContact O-CB 3.4Å; E294-A303 PolarHBondContact O-N 2.75Å; E294-S304 WeakPolarHBondContact CB-OG 3.36Å; E294-S304 PolarHBondContact N-O 2.92Å; E294-S304 PolarHBondContact O-N 3.4Å; E294-S304 PolarHBondContact OE2-OG 3.36Å
295I96.2Very high94.5Very high4 Ų425.4 Ų25.42%0.02115%0.151CC..EExtended strand (participates in β ladder)trans-118.7140.1-169.7-52.8-55.9000110.2W251 T283 H284 Y286 F293 P297 C301 I302W251-I295 HydrophobicContact CB-CD1 3.9Å; W251-I295 HydrophobicContact CB-CG1 4.14Å; W251-I295 HydrophobicContact CB-CG2 3.77Å; W251-I295 HydrophobicContact CD2-CD1 3.71Å; W251-I295 HydrophobicContact CD2-CG1 3.68Å; W251-I295 HydrophobicContact CE3-CD1 3.61Å; W251-I295 HydrophobicContact CE3-CG1 4.03Å; W251-I295 HydrophobicContact CG-CB 4.44Å; W251-I295 HydrophobicContact CG-CD1 3.84Å; W251-I295 HydrophobicContact CG-CG1 3.71Å; W251-I295 HydrophobicContact CG-CG2 3.93Å; W251-I295 HydrophobicContact CZ3-CD1 4.4Å; T283-I295 CarbonylContact C-O 3.57Å; T283-I295 VanDerWaalsContact CA-O 3.31Å; T283-I295 WeakPolarHBondContact CA-O 3.26Å; T283-I295 WeakPolarHBondContact CB-O 3.3Å; H284-I295 PolarHBondContact N-O 3.33Å; H284-I295 PolarHBondContact O-N 3.18Å; Y286-I295 HydrophobicContact CD2-CB 4.38Å; Y286-I295 HydrophobicContact CD2-CG1 3.68Å; Y286-I295 HydrophobicContact CE2-CB 4.17Å; Y286-I295 HydrophobicContact CE2-CG1 3.88Å; F293-I295 HydrophobicContact CB-CD1 4Å; F293-I295 HydrophobicContact CB-CG1 4.5Å; I295-P297 WeakPolarHBondContact O-CD 3.23Å; I295-C301 WeakPolarHBondContact CA-O 3.22Å; I295-I302 HydrophobicContact CD1-CB 4.2Å; I295-I302 HydrophobicContact CD1-CG1 3.79Å; I295-I302 HydrophobicContact CD1-CG2 4.45Å
296I95.2Very high94.7Very high4 Ų426.1 Ų26.12%0.02116%0.155CC..EExtended strand (participates in β ladder)trans-84.3111.4169.9-52177.6000108.1Q199 E202 S298 S299 E300 C301 A303Q199-I296 HydrophobicContact CB-CD1 3.77Å; E202-I296 HydrophobicContact CB-CD1 3.93Å; I296-S298 VanDerWaalsContact C-N 3.3Å; I296-S298 PolarHBondContact O-N 2.69Å; I296-S299 PolarHBondContact O-N 3.36Å; I296-E300 WeakPolarHBondContact O-CA 3.46Å; I296-E300 PolarHBondContact O-N 3.1Å; I296-C301 PolarHBondContact N-O 2.98Å; I296-A303 HydrophobicContact CD1-CB 4.31Å; I296-A303 HydrophobicContact CG1-CB 3.81Å
297P93.2Very high94.8Very high56 Ų5624.8 Ų24.836%0.36415%0.15SC..THydrogen-bonded Turntrans-64.7-31.6-171.3-24.436.1000113.9P282 I295 S299P282-P297 VanDerWaalsContact O-CD 3.22Å; P282-P297 WeakPolarHBondContact O-CD 3.25Å; P282-P297 WeakPolarHBondContact O-CG 3.47Å; I295-P297 WeakPolarHBondContact O-CD 3.23Å; P297-S299 PolarHBondContact O-N 2.82Å
298S92.2Very high95Very high104 Ų10426 Ų2673%0.72714%0.144SC*.THydrogen-bonded Turntrans-72.8-25.1-176.756.70000114.2I296I296-S298 VanDerWaalsContact C-N 3.3Å; I296-S298 PolarHBondContact O-N 2.69Å
299S93.6Very high94.8Very high39 Ų3927.4 Ų27.427%0.27315%0.154SC..THydrogen-bonded Turntrans-119.9-7.8-175.964.90000113.9K250 I296 P297 C301K250-S299 PolarHBondContact NZ-O 3.26Å; I296-S299 PolarHBondContact O-N 3.36Å; P297-S299 PolarHBondContact O-N 2.82Å; S299-C301 PolarHBondContact O-N 3.26Å; S299-C301 VanDerWaalsContact O-N 3.09Å; S299-C301 WeakPolarHBondContact OG-CB 3.34Å; S299-C301 PolarHBondContact OG-N 3.17Å
300E94.6Very high93.9Very high98 Ų9826.8 Ų26.846%0.45816%0.156SC..THydrogen-bonded Turntrans53.621.2-171.1-57.2-168.3122.700113.7W251 I296W251-E300 HydrophobicContact CB-CB 4.48Å; W251-E300 WeakPolarHBondContact CB-O 3.38Å; W251-E300 PolarHBondContact N-O 3.3Å; I296-E300 WeakPolarHBondContact O-CA 3.46Å; I296-E300 PolarHBondContact O-N 3.1Å
301C96.4Very high92.4Very high14 Ų1434.1 Ų34.110%0.09519%0.193CC..EExtended strand (participates in β ladder)trans-81.8144.9173.8-680000110.4Q199 K250 I295 I296 S299 A303Q199-C301 HydrophobicContact CB-CB 4.44Å; Q199-C301 HydrophobicContact CG-CB 4Å; K250-C301 PolarHBondContact NZ-SG 3.23Å; I295-C301 WeakPolarHBondContact CA-O 3.22Å; I296-C301 PolarHBondContact N-O 2.98Å; S299-C301 PolarHBondContact O-N 3.26Å; S299-C301 VanDerWaalsContact O-N 3.09Å; S299-C301 WeakPolarHBondContact OG-CB 3.34Å; S299-C301 PolarHBondContact OG-N 3.17Å; C301-A303 PolarHBondContact O-N 3.15Å
302I97Very high90.2Very high0 Ų043 Ų430%023%0.234CC..EExtended strand (participates in β ladder)trans-66.4124.5165.6-56.2170.5000107.6T197 Q199 V245 V254 F293 E294 I295 S304 V305T197-I302 WeakPolarHBondContact CB-O 3.47Å; T197-I302 HydrophobicContact CG2-CB 4.18Å; T197-I302 HydrophobicContact CG2-CG2 3.88Å; T197-I302 WeakPolarHBondContact CG2-O 3.06Å; T197-I302 PolarHBondContact OG1-O 2.97Å; Q199-I302 WeakPolarHBondContact CG-O 3.31Å; V245-I302 HydrophobicContact CG1-CD1 3.64Å; V254-I302 HydrophobicContact CG2-CD1 4.42Å; F293-I302 HydrophobicContact CD1-CD1 4.41Å; E294-I302 CarbonylContact O-C 3.58Å; I295-I302 HydrophobicContact CD1-CB 4.2Å; I295-I302 HydrophobicContact CD1-CG1 3.79Å; I295-I302 HydrophobicContact CD1-CG2 4.45Å; I302-S304 WeakPolarHBondContact CG2-O 3.44Å; I302-V305 HydrophobicContact CG2-CG2 3.66Å
303A96Very high87.7Confident0 Ų046.5 Ų46.50%025%0.253CS..EExtended strand (participates in β ladder)trans-82.4-5017100000110.8T197 E202 T283 E294 I296 C301T197-A303 WeakPolarHBondContact CB-O 3.44Å; T197-A303 PolarHBondContact N-O 2.87Å; T197-A303 VanDerWaalsContact N-O 3.15Å; T197-A303 VanDerWaalsContact OG1-C 3.25Å; T197-A303 WeakPolarHBondContact OG1-CA 3.47Å; T197-A303 PolarHBondContact OG1-O 3.39Å; E202-A303 HydrophobicContact CG-CB 3.78Å; T283-A303 HydrophobicContact CG2-CB 4.46Å; E294-A303 HydrophobicContact CB-CB 4.45Å; E294-A303 HydrophobicContact CG-CB 4.18Å; E294-A303 WeakPolarHBondContact O-CB 3.4Å; E294-A303 PolarHBondContact O-N 2.75Å; I296-A303 HydrophobicContact CD1-CB 4.31Å; I296-A303 HydrophobicContact CG1-CB 3.81Å; C301-A303 PolarHBondContact O-N 3.15Å
304S97.1Very high85.3Confident1 Ų150.8 Ų50.81%0.00728%0.283CS..EExtended strand (participates in β ladder)trans-150.3158.9178.379.20000111L195 E294 I302L195-S304 CarbonylContact O-C 3.38Å; L195-S304 VanDerWaalsContact O-CA 3.24Å; L195-S304 WeakPolarHBondContact O-CA 3.4Å; E294-S304 WeakPolarHBondContact CB-OG 3.36Å; E294-S304 PolarHBondContact N-O 2.92Å; E294-S304 PolarHBondContact O-N 3.4Å; E294-S304 PolarHBondContact OE2-OG 3.36Å; I302-S304 WeakPolarHBondContact CG2-O 3.44Å
305V97.9Very high82.6Confident0 Ų060 Ų600%032%0.323CS..EExtended strand (participates in β ladder)trans-122124.1169.5-175.70000108.7L195 F213 I215 I291 I292 F293 I302 L307L195-V305 HydrophobicContact CB-CB 4.31Å; L195-V305 HydrophobicContact CD1-CB 4.49Å; L195-V305 PolarHBondContact N-O 3.48Å; L195-V305 PolarHBondContact O-N 3.42Å; F213-V305 HydrophobicContact CE1-CG2 3.9Å; F213-V305 HydrophobicContact CE2-CG2 4.09Å; F213-V305 HydrophobicContact CZ-CB 4.44Å; F213-V305 HydrophobicContact CZ-CG2 3.48Å; F213-V305 VanDerWaalsContact CZ-CG2 3.48Å; I215-V305 HydrophobicContact CD1-CB 4.34Å; I215-V305 HydrophobicContact CD1-CG1 3.73Å; I215-V305 HydrophobicContact CD1-CG2 4.34Å; I291-V305 HydrophobicContact CG2-CG1 3.39Å; I292-V305 CarbonylContact O-C 3.57Å; I292-V305 WeakPolarHBondContact O-CA 3.47Å; F293-V305 HydrophobicContact CD1-CG1 4.3Å; F293-V305 HydrophobicContact CD1-CG2 3.81Å; F293-V305 HydrophobicContact CE1-CG1 4.15Å; F293-V305 HydrophobicContact CE1-CG2 4.01Å; I302-V305 HydrophobicContact CG2-CG2 3.66Å; V305-L307 HydrophobicContact CG1-CD2 4.16Å
306T97.7Very high79.6Confident26 Ų2669.8 Ų69.816%0.1638%0.383CS..EExtended strand (participates in β ladder)trans-103.6125.1173.5-57.10000109.9K192 F193 V194 I291 I292K192-T306 HydrophobicContact CD-CG2 4.4Å; F193-T306 CarbonylContact O-C 3.58Å; F193-T306 VanDerWaalsContact O-CA 3.31Å; F193-T306 WeakPolarHBondContact O-CA 3.14Å; V194-T306 HydrophobicContact CG2-CG2 4.29Å; I291-T306 CarbonylContact C-O 3.49Å; I291-T306 WeakPolarHBondContact CA-O 3.2Å; I292-T306 PolarHBondContact N-O 2.96Å; I292-T306 PolarHBondContact O-N 3.43Å
307L97.6Very high78.8Confident0 Ų073.1 Ų73.10%040%0.401CS..EExtended strand (participates in β ladder)trans-103.1133.6170.9-50.6173.3000107.9V89 T96 L99 F127 K192 F193 L195 I291 V305V89-L307 HydrophobicContact CG1-CD1 3.81Å; V89-L307 HydrophobicContact CG1-CD2 4.43Å; V89-L307 HydrophobicContact CG2-CD1 3.96Å; T96-L307 HydrophobicContact CG2-CD1 4.28Å; L99-L307 HydrophobicContact CD1-CD1 3.93Å; L99-L307 HydrophobicContact CD2-CD1 4.2Å; L99-L307 HydrophobicContact CG-CD1 4.23Å; F127-L307 HydrophobicContact CZ-CB 4Å; K192-L307 CarbonylContact C-O 3.59Å; K192-L307 VanDerWaalsContact CA-O 3.23Å; K192-L307 WeakPolarHBondContact CA-O 3.47Å; K192-L307 WeakPolarHBondContact CB-O 3.49Å; F193-L307 HydrophobicContact CB-CB 4.36Å; F193-L307 PolarHBondContact N-O 2.97Å; F193-L307 PolarHBondContact O-N 2.89Å; L195-L307 HydrophobicContact CD1-CD1 4.04Å; L195-L307 HydrophobicContact CD1-CG 4.47Å; I291-L307 HydrophobicContact CB-CD2 4.33Å; I291-L307 HydrophobicContact CD1-CD2 4.05Å; I291-L307 HydrophobicContact CG1-CD2 3.72Å; I291-L307 HydrophobicContact CG2-CD2 4.05Å; V305-L307 HydrophobicContact CG1-CD2 4.16Å
308Y95.3Very high78.1Confident58 Ų5873.9 Ų73.923%0.22740%0.403CS..EExtended strand (participates in β ladder)trans-142.8149.5-17760.7-86.1000111.9Q289 D290 I292Q289-Y308 PolarHBondContact O-OH 3.27Å; D290-Y308 WeakPolarHBondContact CB-O 2.99Å; D290-Y308 WeakPolarHBondContact O-CD1 3.19Å; D290-Y308 VanDerWaalsContact O-CE1 3.32Å; D290-Y308 WeakPolarHBondContact O-CE1 3.1Å; D290-Y308 PolarHBondContact O-N 2.73Å; I292-Y308 HydrophobicContact CD1-CD1 4.29Å; I292-Y308 HydrophobicContact CD1-CE1 4Å; I292-Y308 HydrophobicContact CG1-CD1 4.03Å; I292-Y308 HydrophobicContact CG1-CE1 3.51Å
309T86.9Confident77.3Confident42 Ų4272.3 Ų72.326%0.25839%0.385SS..  trans-68.4134.5170.550.50000111.2F127 M191 I311F127-T309 HydrophobicContact CB-CG2 3.19Å; F127-T309 HydrophobicContact CD1-CG2 3.54Å; F127-T309 HydrophobicContact CD2-CG2 3.64Å; F127-T309 HydrophobicContact CE1-CG2 4.23Å; F127-T309 HydrophobicContact CE2-CG2 4.29Å; F127-T309 HydrophobicContact CG-CG2 3.19Å; M191-T309 PolarHBondContact O-N 2.94Å; T309-I311 PolarHBondContact O-N 2.89Å
310P70.4Confident76.3Confident50 Ų5074.2 Ų74.233%0.32539%0.392SS..  trans-58.5134.2163.8-20.432000109D290 H312 L313D290-P310 HydrophobicContact CB-CG 4.35Å; P310-H312 PolarHBondContact O-N 2.99Å; P310-L313 PolarHBondContact O-N 2.82Å
311I61.1Low75.2Confident156 Ų15672.8 Ų72.880%0.839%0.388SS*.G310 helixtrans-52.9-17.9-175.7-65.2161.9000112.9T309 L313 S314T309-I311 PolarHBondContact O-N 2.89Å; I311-L313 PolarHBondContact O-N 2.88Å; I311-S314 PolarHBondContact O-OG 3.14Å
312H48.7Very low73.8Confident185 Ų18576.7 Ų76.786%0.85641%0.407SS*.G310 helixtrans-80.5-2.8178.3-81.3-51.7000116.6P310P310-H312 PolarHBondContact O-N 2.99Å
313L43.2Very low72.1Confident129 Ų12982.1 Ų82.168%0.67544%0.436SS*.G310 helixtrans-105.2-1174.7-89.9105.9000115.4P310 I311 K315P310-L313 PolarHBondContact O-N 2.82Å; I311-L313 PolarHBondContact O-N 2.88Å; L313-K315 VanDerWaalsContact C-N 3.3Å; L313-K315 PolarHBondContact O-N 2.97Å
314S44.7Very low70.3Confident90 Ų9088.5 Ų88.563%0.62947%0.47SS*.SBendtrans-69.396163.962.10000107.5I311 T316I311-S314 PolarHBondContact O-OG 3.14Å; S314-T316 PolarHBondContact O-N 2.66Å; S314-T316 VanDerWaalsContact O-N 3.13Å
315K39.6Very low68.1Low203 Ų20395.8 Ų95.888%0.88351%0.508SS*.  trans-47.1120.4177.3-70.1173.5179.4169.60109.2L313L313-K315 VanDerWaalsContact C-N 3.3Å; L313-K315 PolarHBondContact O-N 2.97Å
316T33.8Very low65.4Low210 Ų210104.5 Ų104.5100%1.28856%0.555SS**  trans-53.20153.546.10000110.6S314S314-T316 PolarHBondContact O-N 2.66Å; S314-T316 VanDerWaalsContact O-N 3.13Å

Retrieved 316 of 316 residues in 439.2 ms (Link to these results)

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