A0A3Q0KGQ5_SCHMA Loading...

Putative u3 small nucleolar ribonucleoprotein

AlphaFold DB , UniProt , Accession A0A3Q0KGQ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 298 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
1M68.2Low82.4Confident145 Ų145114.2 Ų114.271%0.71451%0.509SS*.  0-57.20-165.8-170.4-82.800112.2K3 R4 Q5 A130M1-K3 PolarHBondContact O-N 3.34Å; M1-R4 WeakPolarHBondContact O-CB 3.4Å; M1-R4 PolarHBondContact O-N 2.94Å; M1-Q5 PolarHBondContact O-N 2.97Å; M1-Q5 VanDerWaalsContact O-N 3.15Å; M1-A130 HydrophobicContact CE-CB 4.06Å; M1-A130 HydrophobicContact SD-CB 4.2Å
2L75.4Confident82.5Confident113 Ų113106.7 Ų106.759%0.59248%0.475SS*.Hα-helixtrans-53.9-46.3-176.8-64.6170.8000115R4 Q5 A6L2-R4 VanDerWaalsContact C-N 3.28Å; L2-R4 PolarHBondContact O-N 3.21Å; L2-Q5 PolarHBondContact O-N 3.46Å; L2-A6 PolarHBondContact O-N 2.93Å
3K83Confident82.6Confident190 Ų190104.7 Ų104.783%0.82647%0.471SS*.Hα-helixtrans-60-37.2176.8-70.9-172.8178.1-177.60112.9M1 R7M1-K3 PolarHBondContact O-N 3.34Å; K3-R7 WeakPolarHBondContact O-CB 3.46Å; K3-R7 PolarHBondContact O-N 3.3Å
4R84.8Confident83Confident173 Ų173108.4 Ų108.465%0.65348%0.481SS*.Hα-helixtrans-66.1-44177.5-179.7-178.1174-170.3-2.9110.5M1 L2 R7 L8M1-R4 WeakPolarHBondContact O-CB 3.4Å; M1-R4 PolarHBondContact O-N 2.94Å; L2-R4 VanDerWaalsContact C-N 3.28Å; L2-R4 PolarHBondContact O-N 3.21Å; R4-R7 PolarHBondContact O-N 3.12Å; R4-L8 HydrophobicContact CG-CD1 4.02Å; R4-L8 HydrophobicContact CG-CG 4.43Å; R4-L8 VanDerWaalsContact O-CG 3.3Å; R4-L8 WeakPolarHBondContact O-CG 3.47Å; R4-L8 PolarHBondContact O-N 2.96Å
5Q80.9Confident83.3Confident34 Ų34108.9 Ų108.916%0.15948%0.478CS..Hα-helixtrans-63.5-46.3177.2-72.2170.2-19.500111.8M1 L2 R7 L8 R9 F156M1-Q5 PolarHBondContact O-N 2.97Å; M1-Q5 VanDerWaalsContact O-N 3.15Å; L2-Q5 PolarHBondContact O-N 3.46Å; Q5-R7 VanDerWaalsContact C-N 3.26Å; Q5-R7 PolarHBondContact O-N 2.99Å; Q5-L8 PolarHBondContact O-N 2.89Å; Q5-R9 WeakPolarHBondContact O-CB 3.26Å; Q5-R9 PolarHBondContact O-N 3.4Å; Q5-F156 HydrophobicContact CB-CZ 4.19Å; Q5-F156 WeakPolarHBondContact O-CZ 3.45Å
6A83.1Confident83.1Confident49 Ų49105.4 Ų105.441%0.40546%0.461SS..Hα-helixtrans-60-37.3176.500000112.4L2 R10L2-A6 PolarHBondContact O-N 2.93Å; A6-R10 WeakPolarHBondContact O-CG 3.14Å; A6-R10 PolarHBondContact O-N 3.34Å
7R88.9Confident83.3Confident145 Ų145103.1 Ų103.155%0.54746%0.461SS..Hα-helixtrans-65.3-52173.8-168.7-169.672.8173.31.3111.6K3 R4 Q5 R9 R10 E11K3-R7 WeakPolarHBondContact O-CB 3.46Å; K3-R7 PolarHBondContact O-N 3.3Å; R4-R7 PolarHBondContact O-N 3.12Å; Q5-R7 VanDerWaalsContact C-N 3.26Å; Q5-R7 PolarHBondContact O-N 2.99Å; R7-R9 PolarHBondContact O-N 3.46Å; R7-R10 WeakPolarHBondContact O-CB 3.37Å; R7-R10 PolarHBondContact O-N 3.2Å; R7-E11 WeakPolarHBondContact CD-OE1 3.34Å; R7-E11 WeakPolarHBondContact CG-OE1 3.2Å; R7-E11 IonicContact CZ-OE1 3.45Å; R7-E11 IonicContact NE-OE1 3.84Å; R7-E11 PolarHBondContact NE-OE1 3.25Å; R7-E11 VanDerWaalsContact NE-OE1 3.11Å; R7-E11 IonicContact NE-OE2 2.72Å; R7-E11 WeakPolarHBondContact O-CG 3.31Å; R7-E11 PolarHBondContact O-N 2.78Å
8L86.5Confident83.6Confident62 Ų6299.9 Ų99.933%0.32545%0.448SS..Hα-helixtrans-57.9-37.4178.5-70.9169.5000111.8R4 Q5 E11 F12 F156R4-L8 HydrophobicContact CG-CD1 4.02Å; R4-L8 HydrophobicContact CG-CG 4.43Å; R4-L8 VanDerWaalsContact O-CG 3.3Å; R4-L8 WeakPolarHBondContact O-CG 3.47Å; R4-L8 PolarHBondContact O-N 2.96Å; Q5-L8 PolarHBondContact O-N 2.89Å; L8-E11 PolarHBondContact O-N 3.04Å; L8-F12 VanDerWaalsContact O-CB 3.29Å; L8-F12 WeakPolarHBondContact O-CB 3.34Å; L8-F12 PolarHBondContact O-N 2.98Å; L8-F156 HydrophobicContact CB-CE2 3.62Å; L8-F156 HydrophobicContact CB-CZ 4.02Å
9R81.7Confident83.5Confident64 Ų6496.7 Ų96.724%0.24243%0.434CS..Hα-helixtrans-61.8-45.6174.2-170.2178.2169.6-134.8-12.5112Q5 R7 F12 I13 F156 E269Q5-R9 WeakPolarHBondContact O-CB 3.26Å; Q5-R9 PolarHBondContact O-N 3.4Å; R7-R9 PolarHBondContact O-N 3.46Å; R9-F12 PolarHBondContact O-N 2.69Å; R9-I13 HydrophobicContact CG-CD1 4.01Å; R9-I13 VanDerWaalsContact O-CG1 3.32Å; R9-I13 WeakPolarHBondContact O-CG1 3.28Å; R9-I13 PolarHBondContact O-N 3.2Å; R9-F156 HydrophobicContact CB-CD1 3.77Å; R9-F156 HydrophobicContact CB-CE1 3.53Å; R9-F156 HydrophobicContact CB-CE2 4.42Å; R9-F156 HydrophobicContact CB-CG 4.34Å; R9-F156 HydrophobicContact CB-CZ 3.89Å; R9-F156 HydrophobicContact CG-CD1 3.77Å; R9-F156 HydrophobicContact CG-CE1 4.02Å; R9-F156 HydrophobicContact CG-CG 4.35Å; R9-E269 IonicContact CZ-OE1 3.11Å; R9-E269 IonicContact CZ-OE2 2.9Å; R9-E269 IonicContact NE-OE1 2.62Å; R9-E269 IonicContact NE-OE2 3.51Å; R9-E269 PolarHBondContact NE-OE2 3.47Å; R9-E269 VanDerWaalsContact NE-OE2 3.14Å; R9-E269 IonicContact NH1-OE1 2.96Å; R9-E269 PolarHBondContact NH1-OE1 3.01Å; R9-E269 IonicContact NH1-OE2 3.09Å; R9-E269 PolarHBondContact NH1-OE2 2.89Å; R9-E269 VanDerWaalsContact NH1-OE2 3.08Å; R9-E269 IonicContact NH2-OE2 3.37Å; R9-E269 PolarHBondContact NH2-OE2 3.3Å; R9-E269 VanDerWaalsContact NH2-OE2 3.11Å
10R85.8Confident83.5Confident194 Ų19496.4 Ų96.473%0.73244%0.44SS*.Hα-helixtrans-64.9-42.6177.9-71.6176.3-174.1-179.30.1111.3A6 R7 F12 I13 Y14A6-R10 WeakPolarHBondContact O-CG 3.14Å; A6-R10 PolarHBondContact O-N 3.34Å; R7-R10 WeakPolarHBondContact O-CB 3.37Å; R7-R10 PolarHBondContact O-N 3.2Å; R10-F12 VanDerWaalsContact C-N 3.32Å; R10-F12 PolarHBondContact O-N 3.3Å; R10-I13 PolarHBondContact O-N 2.92Å; R10-Y14 WeakPolarHBondContact O-CB 3.41Å; R10-Y14 PolarHBondContact O-N 3.39Å
11E87.8Confident83.5Confident87 Ų8798.7 Ų98.741%0.40745%0.445SS..Hα-helixtrans-59.8-43.3174.3-71.9167.2-177.600110.8R7 L8 Y14 R15R7-E11 WeakPolarHBondContact CD-OE1 3.34Å; R7-E11 WeakPolarHBondContact CG-OE1 3.2Å; R7-E11 IonicContact CZ-OE1 3.45Å; R7-E11 IonicContact NE-OE1 3.84Å; R7-E11 PolarHBondContact NE-OE1 3.25Å; R7-E11 VanDerWaalsContact NE-OE1 3.11Å; R7-E11 IonicContact NE-OE2 2.72Å; R7-E11 WeakPolarHBondContact O-CG 3.31Å; R7-E11 PolarHBondContact O-N 2.78Å; L8-E11 PolarHBondContact O-N 3.04Å; E11-Y14 PolarHBondContact O-N 3.5Å; E11-R15 WeakPolarHBondContact O-CB 3.47Å; E11-R15 PolarHBondContact O-N 2.9Å
12F84Confident84.4Confident24 Ų2494.6 Ų94.611%0.10543%0.426CS..Hα-helixtrans-63.9-48.7177.3178.7-102.5000112.7L8 R9 R10 Y14 R15 R16 E74 F156L8-F12 VanDerWaalsContact O-CB 3.29Å; L8-F12 WeakPolarHBondContact O-CB 3.34Å; L8-F12 PolarHBondContact O-N 2.98Å; R9-F12 PolarHBondContact O-N 2.69Å; R10-F12 VanDerWaalsContact C-N 3.32Å; R10-F12 PolarHBondContact O-N 3.3Å; F12-Y14 VanDerWaalsContact C-N 3.28Å; F12-Y14 PolarHBondContact O-N 3.5Å; F12-R15 PolarHBondContact O-N 2.82Å; F12-R16 WeakPolarHBondContact O-CB 3.47Å; F12-R16 PolarHBondContact O-N 2.83Å; F12-E74 HydrophobicContact CE1-CG 4.38Å; F12-E74 HydrophobicContact CE2-CG 4.05Å; F12-E74 HydrophobicContact CZ-CG 3.51Å; F12-F156 HydrophobicContact CD1-CB 4.25Å
13I84.2Confident84.8Confident81 Ų8190.3 Ų90.342%0.41541%0.407SS..Hα-helixtrans-61.1-41176.6-66.9166.7000110.5R9 R10 R16 S17R9-I13 HydrophobicContact CG-CD1 4.01Å; R9-I13 VanDerWaalsContact O-CG1 3.32Å; R9-I13 WeakPolarHBondContact O-CG1 3.28Å; R9-I13 PolarHBondContact O-N 3.2Å; R10-I13 PolarHBondContact O-N 2.92Å; I13-R16 PolarHBondContact O-N 2.9Å; I13-S17 PolarHBondContact O-N 3.32Å
14Y88.3Confident84.9Confident157 Ų15786.7 Ų86.762%0.61639%0.393SS*.Hα-helixtrans-65.6-47.1178-178-112.8000112.1R10 E11 F12 R16 S17 I18R10-Y14 WeakPolarHBondContact O-CB 3.41Å; R10-Y14 PolarHBondContact O-N 3.39Å; E11-Y14 PolarHBondContact O-N 3.5Å; F12-Y14 VanDerWaalsContact C-N 3.28Å; F12-Y14 PolarHBondContact O-N 3.5Å; Y14-R16 VanDerWaalsContact C-N 3.27Å; Y14-R16 PolarHBondContact O-N 3.25Å; Y14-S17 PolarHBondContact O-N 3.48Å; Y14-S17 VanDerWaalsContact O-N 3.07Å; Y14-S17 PolarHBondContact O-OG 2.96Å; Y14-I18 HydrophobicContact CD1-CD1 3.78Å; Y14-I18 HydrophobicContact CE1-CD1 3.31Å; Y14-I18 HydrophobicContact CE1-CG1 4.37Å; Y14-I18 HydrophobicContact CE2-CD1 4.25Å; Y14-I18 HydrophobicContact CG-CD1 4.43Å; Y14-I18 PolarHBondContact O-N 3.06Å
15R86.6Confident84.9Confident116 Ų11680.7 Ų80.744%0.43837%0.374SS..Hα-helixtrans-54.8-46.7174.9-178.6173.369.7-162.93.7110.7E11 F12 S17 I18 E19 D73E11-R15 WeakPolarHBondContact O-CB 3.47Å; E11-R15 PolarHBondContact O-N 2.9Å; F12-R15 PolarHBondContact O-N 2.82Å; R15-S17 VanDerWaalsContact C-N 3.31Å; R15-S17 PolarHBondContact O-N 3.43Å; R15-I18 WeakPolarHBondContact O-CA 3.44Å; R15-I18 WeakPolarHBondContact O-CB 3.43Å; R15-I18 PolarHBondContact O-N 3.02Å; R15-E19 HydrophobicContact CG-CG 4.5Å; R15-E19 WeakPolarHBondContact CG-OE1 3.34Å; R15-E19 IonicContact NE-OE1 2.8Å; R15-E19 WeakPolarHBondContact O-CG 3.42Å; R15-E19 PolarHBondContact O-N 2.63Å; R15-D73 IonicContact CZ-OD1 2.9Å; R15-D73 IonicContact CZ-OD2 2.82Å; R15-D73 IonicContact NE-OD1 3.79Å; R15-D73 IonicContact NE-OD2 3.87Å; R15-D73 PolarHBondContact NE-OD2 3.46Å; R15-D73 IonicContact NH2-OD1 2.98Å; R15-D73 PolarHBondContact NH2-OD1 2.91Å; R15-D73 IonicContact NH2-OD2 3.54Å; R15-D73 PolarHBondContact NH2-OD2 2.93Å
16R81.2Confident85.1Confident52 Ų5283.3 Ų83.320%0.19639%0.386CS..Hα-helixtrans-64.2-33.6178.1-170168.7143.2-126.9-25.4113.7F12 I13 Y14 I18 E19 V20 R264F12-R16 WeakPolarHBondContact O-CB 3.47Å; F12-R16 PolarHBondContact O-N 2.83Å; I13-R16 PolarHBondContact O-N 2.9Å; Y14-R16 VanDerWaalsContact C-N 3.27Å; Y14-R16 PolarHBondContact O-N 3.25Å; R16-I18 VanDerWaalsContact C-N 3.33Å; R16-E19 PolarHBondContact O-N 2.9Å; R16-V20 WeakPolarHBondContact O-CG2 3.44Å; R16-V20 PolarHBondContact O-N 3.27Å; R16-V20 VanDerWaalsContact O-N 3.16Å; R16-R264 VanDerWaalsContact NH2-CD 3.32Å
17S85.3Confident85.3Confident66 Ų6687.3 Ų87.346%0.46239%0.394SS..Hα-helixtrans-68.4-33.9173.473.80000112.7I13 Y14 R15 R21I13-S17 PolarHBondContact O-N 3.32Å; Y14-S17 PolarHBondContact O-N 3.48Å; Y14-S17 VanDerWaalsContact O-N 3.07Å; Y14-S17 PolarHBondContact O-OG 2.96Å; R15-S17 VanDerWaalsContact C-N 3.31Å; R15-S17 PolarHBondContact O-N 3.43Å; S17-R21 PolarHBondContact O-N 3.5Å
18I88.5Confident85.1Confident46 Ų4684.3 Ų84.324%0.23639%0.385CS..Hα-helixtrans-68-46.5173.1-69.8166.7000109.8Y14 R15 R16 V20 R21 D22Y14-I18 HydrophobicContact CD1-CD1 3.78Å; Y14-I18 HydrophobicContact CE1-CD1 3.31Å; Y14-I18 HydrophobicContact CE1-CG1 4.37Å; Y14-I18 HydrophobicContact CE2-CD1 4.25Å; Y14-I18 HydrophobicContact CG-CD1 4.43Å; Y14-I18 PolarHBondContact O-N 3.06Å; R15-I18 WeakPolarHBondContact O-CA 3.44Å; R15-I18 WeakPolarHBondContact O-CB 3.43Å; R15-I18 PolarHBondContact O-N 3.02Å; R16-I18 VanDerWaalsContact C-N 3.33Å; I18-V20 VanDerWaalsContact C-N 3.29Å; I18-V20 PolarHBondContact O-N 2.98Å; I18-R21 CarbonylContact O-C 3.59Å; I18-R21 WeakPolarHBondContact O-CA 3.43Å; I18-R21 WeakPolarHBondContact O-CB 3.45Å; I18-R21 PolarHBondContact O-N 3.09Å; I18-D22 WeakPolarHBondContact CG2-OD2 3.42Å; I18-D22 WeakPolarHBondContact O-CB 3.33Å; I18-D22 VanDerWaalsContact O-CG 3.24Å; I18-D22 PolarHBondContact O-N 3.22Å
19E83.2Confident85Confident40 Ų4083.2 Ų83.219%0.18738%0.378CS..Hα-helixtrans-57.8-38.4178.5-72.4165.6-17300113.1R15 R16 D22 A23R15-E19 HydrophobicContact CG-CG 4.5Å; R15-E19 WeakPolarHBondContact CG-OE1 3.34Å; R15-E19 IonicContact NE-OE1 2.8Å; R15-E19 WeakPolarHBondContact O-CG 3.42Å; R15-E19 PolarHBondContact O-N 2.63Å; R16-E19 PolarHBondContact O-N 2.9Å; E19-D22 PolarHBondContact O-N 3.01Å; E19-A23 VanDerWaalsContact O-CB 3.25Å; E19-A23 WeakPolarHBondContact O-CB 3.42Å; E19-A23 PolarHBondContact O-N 3.31Å
20V83.1Confident85.2Confident90 Ų9086.3 Ų86.355%0.54539%0.393SS..Hα-helixtrans-63.1-43.6175.9171.20000111R16 I18 E24R16-V20 WeakPolarHBondContact O-CG2 3.44Å; R16-V20 PolarHBondContact O-N 3.27Å; R16-V20 VanDerWaalsContact O-N 3.16Å; I18-V20 VanDerWaalsContact C-N 3.29Å; I18-V20 PolarHBondContact O-N 2.98Å; V20-E24 PolarHBondContact O-N 3.03Å
21R84.1Confident85.2Confident145 Ų14581.5 Ų81.555%0.54738%0.38SS..Hα-helixtrans-66.2-43.1176.1-173.8-169.469.8174.92.5111.2S17 I18 A23 E24 N25S17-R21 PolarHBondContact O-N 3.5Å; I18-R21 CarbonylContact O-C 3.59Å; I18-R21 WeakPolarHBondContact O-CA 3.43Å; I18-R21 WeakPolarHBondContact O-CB 3.45Å; I18-R21 PolarHBondContact O-N 3.09Å; R21-A23 VanDerWaalsContact C-N 3.33Å; R21-A23 PolarHBondContact O-N 3.26Å; R21-E24 PolarHBondContact O-N 3.47Å; R21-N25 PolarHBondContact O-N 3.49Å; R21-N25 VanDerWaalsContact O-N 3.16Å
22D85.6Confident85.2Confident59 Ų5977.5 Ų77.532%0.31636%0.361SS..Hα-helixtrans-69.8-32.5-178-66.5-4.4000110.8I18 E19 E24 N25 E26I18-D22 WeakPolarHBondContact CG2-OD2 3.42Å; I18-D22 WeakPolarHBondContact O-CB 3.33Å; I18-D22 VanDerWaalsContact O-CG 3.24Å; I18-D22 PolarHBondContact O-N 3.22Å; E19-D22 PolarHBondContact O-N 3.01Å; D22-E24 VanDerWaalsContact C-N 3.35Å; D22-E24 PolarHBondContact O-N 2.93Å; D22-N25 CarbonylContact O-C 3.53Å; D22-N25 WeakPolarHBondContact O-CB 3.35Å; D22-N25 PolarHBondContact O-N 3.46Å; D22-N25 VanDerWaalsContact O-N 3.14Å; D22-E26 WeakPolarHBondContact O-CB 3.33Å; D22-E26 WeakPolarHBondContact O-CG 3.41Å; D22-E26 PolarHBondContact O-N 2.99Å
23A84.2Confident85.3Confident22 Ų2279.9 Ų79.918%0.18237%0.371CS..Hα-helixtrans-63.7-36.3172.600000113E19 R21 K27E19-A23 VanDerWaalsContact O-CB 3.25Å; E19-A23 WeakPolarHBondContact O-CB 3.42Å; E19-A23 PolarHBondContact O-N 3.31Å; R21-A23 VanDerWaalsContact C-N 3.33Å; R21-A23 PolarHBondContact O-N 3.26Å; A23-K27 WeakPolarHBondContact O-CG 3.48Å; A23-K27 PolarHBondContact O-N 3.36Å
24E85.4Confident85.4Confident115 Ų11578.3 Ų78.354%0.53737%0.371SS..Hα-helixtrans-66.6-39.8172.3-68.1-178.2169.800111.2V20 R21 D22 K27 K28V20-E24 PolarHBondContact O-N 3.03Å; R21-E24 PolarHBondContact O-N 3.47Å; D22-E24 VanDerWaalsContact C-N 3.35Å; D22-E24 PolarHBondContact O-N 2.93Å; E24-K27 PolarHBondContact O-N 3.4Å; E24-K28 WeakPolarHBondContact O-CG 3.45Å; E24-K28 PolarHBondContact O-N 3.33Å
25N85.5Confident85.4Confident46 Ų4671.2 Ų71.225%0.24635%0.345CS..Hα-helixtrans-66.9-42.1175.3-68.3-21.2000111.8R21 D22 K27 K28 K29R21-N25 PolarHBondContact O-N 3.49Å; R21-N25 VanDerWaalsContact O-N 3.16Å; D22-N25 CarbonylContact O-C 3.53Å; D22-N25 WeakPolarHBondContact O-CB 3.35Å; D22-N25 PolarHBondContact O-N 3.46Å; D22-N25 VanDerWaalsContact O-N 3.14Å; N25-K27 VanDerWaalsContact C-N 3.33Å; N25-K27 PolarHBondContact O-N 3.31Å; N25-K28 WeakPolarHBondContact O-CB 3.46Å; N25-K28 PolarHBondContact O-N 3.39Å; N25-K28 VanDerWaalsContact O-N 3.14Å; N25-K29 WeakPolarHBondContact O-CG 3.01Å; N25-K29 PolarHBondContact O-N 2.85Å
26E84.6Confident85.4Confident89 Ų8970.6 Ų70.642%0.41635%0.35SS..Hα-helixtrans-62.1-38.5175.7-79-175.4-177.900112.3D22 K28 K29 K30D22-E26 WeakPolarHBondContact O-CB 3.33Å; D22-E26 WeakPolarHBondContact O-CG 3.41Å; D22-E26 PolarHBondContact O-N 2.99Å; E26-K28 VanDerWaalsContact C-N 3.31Å; E26-K28 PolarHBondContact O-N 3.25Å; E26-K29 PolarHBondContact O-N 2.81Å; E26-K30 WeakPolarHBondContact O-CB 3.25Å; E26-K30 WeakPolarHBondContact O-CG 3.5Å; E26-K30 PolarHBondContact O-N 2.85Å
27K86.1Confident85.7Confident134 Ų13472.3 Ų72.358%0.58338%0.375SS*.Hα-helixtrans-59.6-44173-75.8172.6-175.1177.20111.1A23 E24 N25 K30 M31A23-K27 WeakPolarHBondContact O-CG 3.48Å; A23-K27 PolarHBondContact O-N 3.36Å; E24-K27 PolarHBondContact O-N 3.4Å; N25-K27 VanDerWaalsContact C-N 3.33Å; N25-K27 PolarHBondContact O-N 3.31Å; K27-K30 PolarHBondContact O-N 2.97Å; K27-M31 WeakPolarHBondContact O-CG 3.35Å; K27-M31 PolarHBondContact O-N 3.46Å
28K85.2Confident86Confident81 Ų8175 Ų7535%0.35238%0.38SS..Hα-helixtrans-64.1-42.2175.6-65.6174.3-177176.60111.5E24 N25 E26 M31 L32 L53E24-K28 WeakPolarHBondContact O-CG 3.45Å; E24-K28 PolarHBondContact O-N 3.33Å; N25-K28 WeakPolarHBondContact O-CB 3.46Å; N25-K28 PolarHBondContact O-N 3.39Å; N25-K28 VanDerWaalsContact O-N 3.14Å; E26-K28 VanDerWaalsContact C-N 3.31Å; E26-K28 PolarHBondContact O-N 3.25Å; K28-M31 PolarHBondContact O-N 3.14Å; K28-L32 WeakPolarHBondContact O-CB 3.38Å; K28-L32 PolarHBondContact O-N 3.25Å; K28-L53 HydrophobicContact CB-CD1 3.91Å; K28-L53 HydrophobicContact CB-CD2 4.46Å; K28-L53 HydrophobicContact CD-CD1 4.5Å
29K85.2Confident85.8Confident40 Ų4076.1 Ų76.117%0.17440%0.403CS..Hα-helixtrans-61.3-43.5174.6-71.2-179.5-177.7-178.60112.2N25 E26 L32 K33 L53 E56 L57N25-K29 WeakPolarHBondContact O-CG 3.01Å; N25-K29 PolarHBondContact O-N 2.85Å; E26-K29 PolarHBondContact O-N 2.81Å; K29-L32 WeakPolarHBondContact O-CB 3.1Å; K29-L32 PolarHBondContact O-N 3.43Å; K29-K33 WeakPolarHBondContact O-CB 3.42Å; K29-K33 PolarHBondContact O-N 3.03Å; K29-L53 HydrophobicContact CG-CD2 4.1Å; K29-E56 WeakPolarHBondContact CE-OE2 3.43Å; K29-E56 IonicContact NZ-OE2 2.98Å; K29-E56 PolarHBondContact NZ-OE2 3.26Å; K29-L57 HydrophobicContact CB-CD1 4.04Å; K29-L57 HydrophobicContact CG-CD1 4.41Å
30K85.5Confident86Confident129 Ų12980.3 Ų80.356%0.56142%0.421SS*.Hα-helixtrans-63.8-41.7175.9-74.9174.7-179.3172.40112.2E26 K27 L32 K33 A34E26-K30 WeakPolarHBondContact O-CB 3.25Å; E26-K30 WeakPolarHBondContact O-CG 3.5Å; E26-K30 PolarHBondContact O-N 2.85Å; K27-K30 PolarHBondContact O-N 2.97Å; K30-L32 VanDerWaalsContact C-N 3.35Å; K30-K33 PolarHBondContact O-N 3.42Å; K30-A34 WeakPolarHBondContact O-CB 3.39Å; K30-A34 PolarHBondContact O-N 2.81Å
31M85.8Confident86Confident92 Ų9284.4 Ų84.445%0.45344%0.436SS..Hα-helixtrans-63.9-39.7173.9-72.7-179.5-172.500112K27 K28 A34 A35 I46K27-M31 WeakPolarHBondContact O-CG 3.35Å; K27-M31 PolarHBondContact O-N 3.46Å; K28-M31 PolarHBondContact O-N 3.14Å; M31-A34 PolarHBondContact O-N 3.06Å; M31-A35 WeakPolarHBondContact O-CB 3.36Å; M31-A35 PolarHBondContact O-N 3.26Å; M31-I46 HydrophobicContact CB-CD1 3.37Å; M31-I46 HydrophobicContact CG-CD1 4.32Å; M31-I46 HydrophobicContact SD-CD1 4.03Å
32L86.7Confident86Confident4 Ų479.9 Ų79.92%0.02142%0.422CS..Hα-helixtrans-63.5-49174.4-178.763.3000111.1K28 K29 K30 A34 A35 L36 L42 I46 L53 N54K28-L32 WeakPolarHBondContact O-CB 3.38Å; K28-L32 PolarHBondContact O-N 3.25Å; K29-L32 WeakPolarHBondContact O-CB 3.1Å; K29-L32 PolarHBondContact O-N 3.43Å; K30-L32 VanDerWaalsContact C-N 3.35Å; L32-A34 VanDerWaalsContact C-N 3.32Å; L32-A34 PolarHBondContact O-N 3.45Å; L32-A35 PolarHBondContact O-N 2.84Å; L32-L36 HydrophobicContact CD1-CD1 4.39Å; L32-L36 HydrophobicContact CD1-CG 4.39Å; L32-L36 HydrophobicContact CG-CD1 4.15Å; L32-L36 WeakPolarHBondContact O-CB 3.47Å; L32-L36 VanDerWaalsContact O-CG 3.31Å; L32-L36 WeakPolarHBondContact O-CG 3.34Å; L32-L36 PolarHBondContact O-N 3.12Å; L32-L42 HydrophobicContact CD1-CD1 4.48Å; L32-L42 HydrophobicContact CD1-CD2 3.46Å; L32-L42 VanDerWaalsContact CD1-CD2 3.46Å; L32-I46 HydrophobicContact CB-CG2 4.48Å; L32-I46 HydrophobicContact CD1-CG2 4.31Å; L32-L53 HydrophobicContact CD2-CB 3.83Å; L32-N54 HydrophobicContact CD2-CB 4.26Å
33K86.1Confident85.9Confident73 Ų7379.8 Ų79.832%0.31743%0.425SS..Hα-helixtrans-57.5-43.2176.3-170.7175.4178.6178.80111.5K29 K30 A37 D62 E65K29-K33 WeakPolarHBondContact O-CB 3.42Å; K29-K33 PolarHBondContact O-N 3.03Å; K30-K33 PolarHBondContact O-N 3.42Å; K33-A37 WeakPolarHBondContact O-CB 3.4Å; K33-A37 PolarHBondContact O-N 2.75Å; K33-D62 IonicContact NZ-OD1 3.96Å; K33-D62 PolarHBondContact NZ-OD1 2.96Å; K33-D62 IonicContact NZ-OD2 3.6Å; K33-E65 IonicContact NZ-OE1 3.35Å; K33-E65 PolarHBondContact NZ-OE1 3.35Å
34A87.7Confident85.9Confident48 Ų4887.5 Ų87.540%0.39746%0.455SS..Hα-helixtrans-66.1-43.417600000112.7K30 M31 L32 L36 A37 E38K30-A34 WeakPolarHBondContact O-CB 3.39Å; K30-A34 PolarHBondContact O-N 2.81Å; M31-A34 PolarHBondContact O-N 3.06Å; L32-A34 VanDerWaalsContact C-N 3.32Å; L32-A34 PolarHBondContact O-N 3.45Å; A34-L36 PolarHBondContact O-N 3.39Å; A34-A37 PolarHBondContact O-N 3.44Å; A34-E38 WeakPolarHBondContact O-CG 3.32Å; A34-E38 PolarHBondContact O-N 2.81Å
35A87.7Confident85.7Confident9 Ų989.7 Ų89.77%0.07447%0.465CS..Hα-helixtrans-65.4-38.5177.800000112.4M31 L32 G39 K40 L42M31-A35 WeakPolarHBondContact O-CB 3.36Å; M31-A35 PolarHBondContact O-N 3.26Å; L32-A35 PolarHBondContact O-N 2.84Å; A35-G39 WeakPolarHBondContact O-CA 3.31Å; A35-G39 PolarHBondContact O-N 3.39Å; A35-K40 PolarHBondContact O-N 2.79Å; A35-L42 HydrophobicContact CB-CD2 3.77Å
36L86.5Confident85.7Confident103 Ų10387.6 Ų87.654%0.53945%0.453SS..Hα-helixtrans-65.2-41.5173.8-71.4173.6000111.7L32 A34L32-L36 HydrophobicContact CD1-CD1 4.39Å; L32-L36 HydrophobicContact CD1-CG 4.39Å; L32-L36 HydrophobicContact CG-CD1 4.15Å; L32-L36 WeakPolarHBondContact O-CB 3.47Å; L32-L36 VanDerWaalsContact O-CG 3.31Å; L32-L36 WeakPolarHBondContact O-CG 3.34Å; L32-L36 PolarHBondContact O-N 3.12Å; A34-L36 PolarHBondContact O-N 3.39Å
37A88.4Confident85.5Confident88 Ų8888 Ų8873%0.72746%0.455SS*.Hα-helixtrans-67.5-38.8178.300000113K33 A34K33-A37 WeakPolarHBondContact O-CB 3.4Å; K33-A37 PolarHBondContact O-N 2.75Å; A34-A37 PolarHBondContact O-N 3.44Å
38E90Very high85.3Confident121 Ų12191.1 Ų91.157%0.56547%0.472SS*.Hα-helixtrans-86.5-12.5179.9-63.9-176.2135.800113.7A34 K40A34-E38 WeakPolarHBondContact O-CG 3.32Å; A34-E38 PolarHBondContact O-N 2.81Å; E38-K40 HydrophobicContact CB-CD 4.18Å; E38-K40 HydrophobicContact CB-CG 3.93Å; E38-K40 PolarHBondContact O-N 3.49Å; E38-K40 IonicContact OE1-NZ 3.58Å; E38-K40 PolarHBondContact OE1-NZ 3.14Å; E38-K40 WeakPolarHBondContact OE2-CD 3.25Å; E38-K40 WeakPolarHBondContact OE2-CE 3.48Å; E38-K40 IonicContact OE2-NZ 3.7Å; E38-K40 PolarHBondContact OE2-NZ 2.96Å
39G86Confident85.1Confident70 Ų7088.3 Ų88.372%0.72247%0.466SS*.THydrogen-bonded Turntrans65.222.2-173.700000113.9A35A35-G39 WeakPolarHBondContact O-CA 3.31Å; A35-G39 PolarHBondContact O-N 3.39Å
40K85.7Confident84.9Confident129 Ų12987.1 Ų87.156%0.56146%0.463SS*.PPolyproline II helixtrans-83.7157.3179.8-68.6-177.8-166.1154.20111.1A35 E38 L42A35-K40 PolarHBondContact O-N 2.79Å; E38-K40 HydrophobicContact CB-CD 4.18Å; E38-K40 HydrophobicContact CB-CG 3.93Å; E38-K40 PolarHBondContact O-N 3.49Å; E38-K40 IonicContact OE1-NZ 3.58Å; E38-K40 PolarHBondContact OE1-NZ 3.14Å; E38-K40 WeakPolarHBondContact OE2-CD 3.25Å; E38-K40 WeakPolarHBondContact OE2-CE 3.48Å; E38-K40 IonicContact OE2-NZ 3.7Å; E38-K40 PolarHBondContact OE2-NZ 2.96Å; K40-L42 PolarHBondContact O-N 3.16Å
41M83.5Confident84.8Confident175 Ų17587.9 Ų87.986%0.86247%0.473SS*.PPolyproline II helixtrans-58.8136.5172.7-66-174.676.500110.8
42L84.4Confident84.8Confident51 Ų5190.2 Ų90.227%0.26748%0.483SS..PPolyproline II helixtrans-61.9136.9178.1-66.5170.5000111L32 A35 K40 Q47 A50L32-L42 HydrophobicContact CD1-CD1 4.48Å; L32-L42 HydrophobicContact CD1-CD2 3.46Å; L32-L42 VanDerWaalsContact CD1-CD2 3.46Å; A35-L42 HydrophobicContact CB-CD2 3.77Å; K40-L42 PolarHBondContact O-N 3.16Å; L42-Q47 HydrophobicContact CB-CG 3.93Å; L42-Q47 PolarHBondContact O-NE2 3.06Å; L42-A50 HydrophobicContact CD1-CB 3.88Å
43P83.3Confident84.6Confident57 Ų5790.9 Ų90.937%0.3749%0.486SS..PPolyproline II helixtrans-55.8143.2169.8-23.933.5000111.5E45 I46 Q47P43-E45 PolarHBondContact O-N 3.06Å; P43-I46 HydrophobicContact CG-CD1 4.34Å; P43-I46 PolarHBondContact O-N 2.66Å; P43-Q47 PolarHBondContact O-N 3.44Å
44K84.4Confident84.5Confident184 Ų18490.2 Ų90.280%0.849%0.486SS*.Hα-helixtrans-52.4-34.1-178.7-72.9-175.3177.1-178.20113.3I46 Q47K44-I46 PolarHBondContact O-N 3.16Å; K44-Q47 PolarHBondContact O-N 3.05Å
45E81.4Confident84.4Confident161 Ų16194 Ų9475%0.75250%0.496SS*.Hα-helixtrans-64.1-22.3-179.8-60.7178-17100113.9P43P43-E45 PolarHBondContact O-N 3.06Å
46I84.9Confident84.1Confident1 Ų197.7 Ų97.71%0.00551%0.512CS..Hα-helixtrans-106.2-22.4-175.1-59.9172.2000111.2M31 L32 P43 K44 E48 G49 A50 L53M31-I46 HydrophobicContact CB-CD1 3.37Å; M31-I46 HydrophobicContact CG-CD1 4.32Å; M31-I46 HydrophobicContact SD-CD1 4.03Å; L32-I46 HydrophobicContact CB-CG2 4.48Å; L32-I46 HydrophobicContact CD1-CG2 4.31Å; P43-I46 HydrophobicContact CG-CD1 4.34Å; P43-I46 PolarHBondContact O-N 2.66Å; K44-I46 PolarHBondContact O-N 3.16Å; I46-E48 VanDerWaalsContact C-N 3.33Å; I46-E48 PolarHBondContact O-N 3.28Å; I46-G49 CarbonylContact O-C 3.57Å; I46-G49 PolarHBondContact O-N 2.88Å; I46-G49 VanDerWaalsContact O-N 3.09Å; I46-A50 HydrophobicContact CG2-CB 4.41Å; I46-A50 WeakPolarHBondContact O-CA 3.47Å; I46-A50 WeakPolarHBondContact O-CB 3.42Å; I46-A50 PolarHBondContact O-N 3.35Å; I46-L53 HydrophobicContact CG2-CD1 3.99Å
47Q80.9Confident83.8Confident97 Ų9794.4 Ų94.445%0.45349%0.494SS..Hα-helixtrans-54.1-43.9-172-75.9177.2500113.6L42 P43 K44 G49L42-Q47 HydrophobicContact CB-CG 3.93Å; L42-Q47 PolarHBondContact O-NE2 3.06Å; P43-Q47 PolarHBondContact O-N 3.44Å; K44-Q47 PolarHBondContact O-N 3.05Å; Q47-G49 PolarHBondContact O-N 3.47Å
48E81.5Confident83.3Confident200 Ų20096 Ų9694%0.93549%0.491SS*.THydrogen-bonded Turntrans-71.2-30-177.9-64.4-176.3170.600113.1I46I46-E48 VanDerWaalsContact C-N 3.33Å; I46-E48 PolarHBondContact O-N 3.28Å
49G81.7Confident82.7Confident22 Ų22100.9 Ų100.923%0.22750%0.504CS..THydrogen-bonded Turntrans-104.35.5-17800000114.6I46 Q47 L51 Q52 L53I46-G49 CarbonylContact O-C 3.57Å; I46-G49 PolarHBondContact O-N 2.88Å; I46-G49 VanDerWaalsContact O-N 3.09Å; Q47-G49 PolarHBondContact O-N 3.47Å; G49-L51 VanDerWaalsContact C-N 3.33Å; G49-L51 PolarHBondContact O-N 3.1Å; G49-Q52 PolarHBondContact O-N 3.07Å; G49-L53 WeakPolarHBondContact O-CG 3.21Å; G49-L53 PolarHBondContact O-N 3.04Å
50A80.6Confident81.9Confident15 Ų1599.8 Ų99.812%0.12449%0.485CS..Hα-helixtrans-61.2-38.9-168.500000113L42 I46 N54L42-A50 HydrophobicContact CD1-CB 3.88Å; I46-A50 HydrophobicContact CG2-CB 4.41Å; I46-A50 WeakPolarHBondContact O-CA 3.47Å; I46-A50 WeakPolarHBondContact O-CB 3.42Å; I46-A50 PolarHBondContact O-N 3.35Å; A50-N54 VanDerWaalsContact O-CB 3.26Å; A50-N54 WeakPolarHBondContact O-CB 3.4Å; A50-N54 PolarHBondContact O-N 3.24Å
51L84Confident80.8Confident146 Ų146100.6 Ų100.676%0.76450%0.496SS*.Hα-helixtrans-64.7-47.2178.8-69.3170.9000111.7G49 N54 E55G49-L51 VanDerWaalsContact C-N 3.33Å; G49-L51 PolarHBondContact O-N 3.1Å; L51-N54 PolarHBondContact O-N 2.99Å; L51-E55 PolarHBondContact O-N 3.1Å
52Q85.6Confident79.9Confident141 Ų14197.3 Ų97.366%0.65948%0.481SS*.Hα-helixtrans-64-44.7178.2-68.3176.7-2.900111.3G49 N54 E55 E56G49-Q52 PolarHBondContact O-N 3.07Å; Q52-N54 VanDerWaalsContact C-N 3.26Å; Q52-N54 PolarHBondContact O-N 3.06Å; Q52-E55 PolarHBondContact O-N 3.08Å; Q52-E56 WeakPolarHBondContact O-CG 3.38Å; Q52-E56 PolarHBondContact O-N 3.18Å
53L82.3Confident78.6Confident17 Ų1798.3 Ų98.39%0.08951%0.505CS..Hα-helixtrans-63.9-32.5177.3-73.7170.7000112.3K28 K29 L32 I46 G49 L57K28-L53 HydrophobicContact CB-CD1 3.91Å; K28-L53 HydrophobicContact CB-CD2 4.46Å; K28-L53 HydrophobicContact CD-CD1 4.5Å; K29-L53 HydrophobicContact CG-CD2 4.1Å; L32-L53 HydrophobicContact CD2-CB 3.83Å; I46-L53 HydrophobicContact CG2-CD1 3.99Å; G49-L53 WeakPolarHBondContact O-CG 3.21Å; G49-L53 PolarHBondContact O-N 3.04Å; L53-L57 WeakPolarHBondContact O-CB 3.41Å; L53-L57 PolarHBondContact O-N 3.19Å
54N83.2Confident77.2Confident60 Ų6098.7 Ų98.732%0.32152%0.518SS..Hα-helixtrans-71.2-44176.2-168.476.2000111.8L32 A50 L51 Q52 E56 L57 D58L32-N54 HydrophobicContact CD2-CB 4.26Å; A50-N54 VanDerWaalsContact O-CB 3.26Å; A50-N54 WeakPolarHBondContact O-CB 3.4Å; A50-N54 PolarHBondContact O-N 3.24Å; L51-N54 PolarHBondContact O-N 2.99Å; Q52-N54 VanDerWaalsContact C-N 3.26Å; Q52-N54 PolarHBondContact O-N 3.06Å; N54-E56 VanDerWaalsContact C-N 3.28Å; N54-E56 PolarHBondContact O-N 3.18Å; N54-L57 VanDerWaalsContact O-CB 3.28Å; N54-L57 WeakPolarHBondContact O-CB 3.05Å; N54-L57 PolarHBondContact O-N 3.33Å; N54-D58 PolarHBondContact O-N 2.86Å; N54-D58 VanDerWaalsContact O-N 3.12Å
55E85.6Confident75.5Confident127 Ų12796 Ų9659%0.59351%0.509SS*.Hα-helixtrans-59.2-41.4172.8-71.7178.1-178.600111.4L51 Q52 L57 D58L51-E55 PolarHBondContact O-N 3.1Å; Q52-E55 PolarHBondContact O-N 3.08Å; E55-L57 VanDerWaalsContact C-N 3.3Å; E55-L57 PolarHBondContact O-N 3.05Å; E55-D58 PolarHBondContact O-N 3.29Å
56E83Confident73.9Confident87 Ų8791.3 Ų91.341%0.40750%0.504SS..Hα-helixtrans-70.1-24.7174.3-69.3-175-169.700113.9K29 Q52 N54 W59 S60K29-E56 WeakPolarHBondContact CE-OE2 3.43Å; K29-E56 IonicContact NZ-OE2 2.98Å; K29-E56 PolarHBondContact NZ-OE2 3.26Å; Q52-E56 WeakPolarHBondContact O-CG 3.38Å; Q52-E56 PolarHBondContact O-N 3.18Å; N54-E56 VanDerWaalsContact C-N 3.28Å; N54-E56 PolarHBondContact O-N 3.18Å; E56-W59 PolarHBondContact O-N 2.96Å; E56-S60 PolarHBondContact O-N 3.01Å
57L79.3Confident72.2Confident33 Ų3397.1 Ų97.117%0.17354%0.539CS..Hα-helixtrans-70.1-37.9176.9-166.581.2000110.3K29 L53 N54 E55 W59 S60K29-L57 HydrophobicContact CB-CD1 4.04Å; K29-L57 HydrophobicContact CG-CD1 4.41Å; L53-L57 WeakPolarHBondContact O-CB 3.41Å; L53-L57 PolarHBondContact O-N 3.19Å; N54-L57 VanDerWaalsContact O-CB 3.28Å; N54-L57 WeakPolarHBondContact O-CB 3.05Å; N54-L57 PolarHBondContact O-N 3.33Å; E55-L57 VanDerWaalsContact C-N 3.3Å; E55-L57 PolarHBondContact O-N 3.05Å; L57-W59 PolarHBondContact O-N 2.79Å; L57-S60 WeakPolarHBondContact CA-OG 3.29Å; L57-S60 PolarHBondContact O-N 2.74Å; L57-S60 PolarHBondContact O-OG 3.32Å
58D78.1Confident70.7Confident122 Ų12296 Ų9665%0.65255%0.546SS*.Hα-helixtrans-60.8-27177.4-67.5-23000112.3N54 E55N54-D58 PolarHBondContact O-N 2.86Å; N54-D58 VanDerWaalsContact O-N 3.12Å; E55-D58 PolarHBondContact O-N 3.29Å
59W77.6Confident69.4Low224 Ų22489.5 Ų89.585%0.84852%0.52SS*.THydrogen-bonded Turntrans-92-10.1174.5-58.7107.8000114.1E56 L57 D61E56-W59 PolarHBondContact O-N 2.96Å; L57-W59 PolarHBondContact O-N 2.79Å; W59-D61 PolarHBondContact O-N 3.11Å
60S69Low68.1Low47 Ų4792.5 Ų92.533%0.32953%0.531SS..SBendtrans-83.4111179.865.10000110.1E56 L57 D62E56-S60 PolarHBondContact O-N 3.01Å; L57-S60 WeakPolarHBondContact CA-OG 3.29Å; L57-S60 PolarHBondContact O-N 2.74Å; L57-S60 PolarHBondContact O-OG 3.32Å; S60-D62 PolarHBondContact O-N 3.31Å
61D63Low67.1Low145 Ų14594.8 Ų94.878%0.77554%0.539SS*.  trans-62.6120.6173.8-92.9-22.9000110.2W59 G63 G64W59-D61 PolarHBondContact O-N 3.11Å; D61-G63 PolarHBondContact O-N 3.02Å; D61-G64 PolarHBondContact O-N 3.16Å
62D64.1Low66.1Low106 Ų10689.5 Ų89.557%0.56751%0.512SS*.G310 helixtrans-56.4-18.5170.5-85.2-18.7000112.4K33 S60 G64 E65K33-D62 IonicContact NZ-OD1 3.96Å; K33-D62 PolarHBondContact NZ-OD1 2.96Å; K33-D62 IonicContact NZ-OD2 3.6Å; S60-D62 PolarHBondContact O-N 3.31Å; D62-G64 PolarHBondContact O-N 3.19Å; D62-E65 PolarHBondContact O-N 2.62Å
63G57Low65.4Low73 Ų7384.2 Ų84.275%0.75349%0.488SS*.G310 helixtrans-69.5-11175.200000115.2D61 E65D61-G63 PolarHBondContact O-N 3.02Å; G63-E65 VanDerWaalsContact C-N 3.25Å; G63-E65 PolarHBondContact O-N 3.07Å
64G53.5Low65.3Low64 Ų6484.8 Ų84.866%0.6649%0.49SS*.G310 helixtrans-75-7.717500000114.6D61 D62 G66D61-G64 PolarHBondContact O-N 3.16Å; D62-G64 PolarHBondContact O-N 3.19Å; G64-G66 PolarHBondContact O-N 2.98Å
65E49.2Very low65.3Low127 Ų12782.6 Ų82.659%0.59348%0.478SS*.G310 helixtrans-66.9-4.4-179.3-68.7-173.6178.400113.9K33 D62 G63 V67K33-E65 IonicContact NZ-OE1 3.35Å; K33-E65 PolarHBondContact NZ-OE1 3.35Å; D62-E65 PolarHBondContact O-N 2.62Å; G63-E65 VanDerWaalsContact C-N 3.25Å; G63-E65 PolarHBondContact O-N 3.07Å; E65-V67 PolarHBondContact O-N 3.45Å
66G47.4Very low64.8Low63 Ų6381.2 Ų81.265%0.64947%0.474SS*.SBendtrans-70.664.3172.700000114.6G64 A68G64-G66 PolarHBondContact O-N 2.98Å; G66-A68 VanDerWaalsContact C-N 3.3Å; G66-A68 PolarHBondContact O-N 3.36Å
67V48.9Very low64.4Low124 Ų12486.8 Ų86.875%0.75249%0.491SS*.  trans38.842.5143.6-151.90000117.2E65 T69E65-V67 PolarHBondContact O-N 3.45Å; V67-T69 PolarHBondContact O-N 2.67Å; V67-T69 VanDerWaalsContact O-N 3.12Å
68A49.6Very low64.1Low72 Ų7287.5 Ų87.560%0.59550%0.502SS*.  trans-7885.9150.600000105.6G66 N70G66-A68 VanDerWaalsContact C-N 3.3Å; G66-A68 PolarHBondContact O-N 3.36Å; A68-N70 PolarHBondContact O-N 2.84Å
69T55.5Low64.1Low64 Ų6484.2 Ų84.239%0.39350%0.496SS..  trans-52.4116.4169.9-54.10000106.4V67 Q71 D72V67-T69 PolarHBondContact O-N 2.67Å; V67-T69 VanDerWaalsContact O-N 3.12Å; T69-Q71 HydrophobicContact CG2-CB 4.12Å; T69-Q71 HydrophobicContact CG2-CG 4.13Å; T69-Q71 PolarHBondContact O-N 3.39Å; T69-D72 PolarHBondContact O-N 3.33Å
70N54.1Low64.3Low86 Ų8678.8 Ų78.846%0.4649%0.488SS..THydrogen-bonded Turntrans-48.5-7.7-178.4-76.4-9.8000114.9A68A68-N70 PolarHBondContact O-N 2.84Å
71Q58.2Low65.1Low62 Ų6284 Ų8429%0.2951%0.508SS..THydrogen-bonded Turntrans-80.4-17.1179.8-62.7-179.78.700113.3T69 R203T69-Q71 HydrophobicContact CG2-CB 4.12Å; T69-Q71 HydrophobicContact CG2-CG 4.13Å; T69-Q71 PolarHBondContact O-N 3.39Å; Q71-R203 PolarHBondContact O-NH1 3.5Å
72D63.7Low66.3Low36 Ų3681.1 Ų81.119%0.19349%0.492CS..  trans-126.634.4-171.7-66.2-38.6000116.1T69 E74 Y75 R203 C206T69-D72 PolarHBondContact O-N 3.33Å; D72-E74 PolarHBondContact O-N 2.82Å; D72-Y75 PolarHBondContact O-N 3.42Å; D72-Y75 VanDerWaalsContact O-N 3.16Å; D72-R203 WeakPolarHBondContact OD1-CD 3.21Å; D72-R203 IonicContact OD1-CZ 3.58Å; D72-R203 IonicContact OD1-NH1 3.6Å; D72-R203 PolarHBondContact OD1-NH1 3.38Å; D72-C206 PolarHBondContact OD2-SG 2.84Å
73D70.5Confident67.7Low30 Ų3076.7 Ų76.716%0.1647%0.469CS..G310 helixtrans-60.1-25.7175.6178.333.1000112.7R15 Y75 L76R15-D73 IonicContact CZ-OD1 2.9Å; R15-D73 IonicContact CZ-OD2 2.82Å; R15-D73 IonicContact NE-OD1 3.79Å; R15-D73 IonicContact NE-OD2 3.87Å; R15-D73 PolarHBondContact NE-OD2 3.46Å; R15-D73 IonicContact NH2-OD1 2.98Å; R15-D73 PolarHBondContact NH2-OD1 2.91Å; R15-D73 IonicContact NH2-OD2 3.54Å; R15-D73 PolarHBondContact NH2-OD2 2.93Å; D73-Y75 VanDerWaalsContact C-N 3.25Å; D73-Y75 PolarHBondContact O-N 3.28Å; D73-L76 WeakPolarHBondContact O-CB 3.47Å; D73-L76 PolarHBondContact O-N 2.91Å
74E79.9Confident69.4Low29 Ų2980.5 Ų80.514%0.13646%0.461CS..G310 helixtrans-67-28.5178.4-53.899.1154.100113.2F12 D72 R203F12-E74 HydrophobicContact CE1-CG 4.38Å; F12-E74 HydrophobicContact CE2-CG 4.05Å; F12-E74 HydrophobicContact CZ-CG 3.51Å; D72-E74 PolarHBondContact O-N 2.82Å; E74-R203 VanDerWaalsContact CD-NH2 3.26Å; E74-R203 IonicContact OE1-CZ 3.02Å; E74-R203 IonicContact OE1-NH2 2.81Å; E74-R203 PolarHBondContact OE1-NH2 2.84Å; E74-R203 IonicContact OE2-CZ 2.69Å; E74-R203 IonicContact OE2-NH1 3.62Å; E74-R203 PolarHBondContact OE2-NH1 2.9Å; E74-R203 IonicContact OE2-NH2 2.63Å; E74-R203 PolarHBondContact OE2-NH2 2.73Å
75Y83.4Confident71.3Confident14 Ų1477.6 Ų77.66%0.05543%0.43CS..G310 helixtrans-100.813.9-178.9-62.8-75.3000112.5D72 D73 W77 A78 H153 P158 I207 H210D72-Y75 PolarHBondContact O-N 3.42Å; D72-Y75 VanDerWaalsContact O-N 3.16Å; D73-Y75 VanDerWaalsContact C-N 3.25Å; D73-Y75 PolarHBondContact O-N 3.28Å; Y75-W77 PolarHBondContact O-N 3.04Å; Y75-W77 VanDerWaalsContact O-N 3.11Å; Y75-A78 WeakPolarHBondContact O-CB 3.3Å; Y75-A78 PolarHBondContact O-N 3.11Å; Y75-H153 AromaticContact CD1-CE1 3.92Å; Y75-H153 AromaticContact CD1-NE2 3.91Å; Y75-H153 HydrophobicContact CE1-CB 4.25Å; Y75-H153 AromaticContact CE1-CD2 3.73Å; Y75-H153 AromaticContact CE1-CE1 3.6Å; Y75-H153 AromaticContact CE1-CG 3.57Å; Y75-H153 AromaticContact CE1-ND1 3.48Å; Y75-H153 WeakPolarHBondContact CE1-ND1 3.44Å; Y75-H153 AromaticContact CE1-NE2 3.77Å; Y75-H153 AromaticContact CZ-CG 3.81Å; Y75-H153 WeakPolarHBondContact OH-CB 3.49Å; Y75-P158 HydrophobicContact CE2-CG 4.09Å; Y75-I207 HydrophobicContact CE2-CG1 4.2Å; Y75-H210 HydrophobicContact CD1-CB 3.54Å; Y75-H210 AromaticContact CD1-CG 3.55Å; Y75-H210 AromaticContact CD1-ND1 3.37Å; Y75-H210 WeakPolarHBondContact CD1-ND1 3.24Å; Y75-H210 AromaticContact CD2-ND1 3.9Å; Y75-H210 HydrophobicContact CE1-CB 3.68Å; Y75-H210 AromaticContact CE1-ND1 3.98Å; Y75-H210 HydrophobicContact CG-CB 4.41Å; Y75-H210 AromaticContact CG-CE1 3.89Å; Y75-H210 AromaticContact CG-CG 3.95Å; Y75-H210 AromaticContact CG-ND1 3.32Å; Y75-H210 VanDerWaalsContact CG-ND1 3.32Å
76L75.9Confident73.5Confident97 Ų9771.8 Ų71.851%0.50840%0.403SS..THydrogen-bonded Turntrans-55-35-175.6-175.266.7000113.4D73 A78D73-L76 WeakPolarHBondContact O-CB 3.47Å; D73-L76 PolarHBondContact O-N 2.91Å; L76-A78 VanDerWaalsContact C-N 3.31Å
77W74.7Confident75.8Confident205 Ų20568.8 Ų68.878%0.77737%0.372SS*.THydrogen-bonded Turntrans-88.25.1179.1-58.5107.3000113.9Y75 G79 T80Y75-W77 PolarHBondContact O-N 3.04Å; Y75-W77 VanDerWaalsContact O-N 3.11Å; W77-G79 PolarHBondContact O-N 2.86Å; W77-T80 PolarHBondContact O-N 3Å
78A73.4Confident78Confident47 Ų4762.9 Ų62.939%0.38834%0.336SS..BIsolated β-bridgetrans-66.9125.1-178.600000110.7Y75 L76 H210Y75-A78 WeakPolarHBondContact O-CB 3.3Å; Y75-A78 PolarHBondContact O-N 3.11Å; L76-A78 VanDerWaalsContact C-N 3.31Å; A78-H210 WeakPolarHBondContact CB-CD2 3.37Å
79G76.7Confident80.1Confident53 Ų5359.6 Ų59.655%0.54631%0.309SS..THydrogen-bonded Turntrans108.3-19-175.500000114.3W77W77-G79 PolarHBondContact O-N 2.86Å
80T83.4Confident81.8Confident110 Ų11057.8 Ų57.868%0.67530%0.299SS*.THydrogen-bonded Turntrans-79.5-39.6173.8-54.40000111.6W77W77-T80 PolarHBondContact O-N 3Å
81E85.2Confident83.5Confident158 Ų15862 Ų6274%0.73831%0.309SS*.BIsolated β-bridgetrans-121.8143.8177.6-63.9-173170.300110.5
82D88.4Confident85Confident84 Ų8463.9 Ų63.945%0.44933%0.329SS..  trans-68.3129.2174.4-83.1-11.4000110.1R84 Y188D82-R84 PolarHBondContact O-N 3.49Å; D82-Y188 PolarHBondContact OD2-OH 2.86Å
83P92Very high86.5Confident13 Ų1363.5 Ų63.58%0.08433%0.328CS..  trans-63.7139.6-179.826-33.4000110.9V85 T134 H210P83-V85 HydrophobicContact CB-CG2 4.49Å; P83-T134 WeakPolarHBondContact CB-OG1 3.35Å; P83-H210 WeakPolarHBondContact CB-O 3.4Å
84R93.1Very high87.6Confident153 Ų15363.7 Ų63.758%0.57733%0.332SS*.  trans-112.3105.6175.8-71.3-176.8175.7-175.50.9107.8D82 I133 T134 D135D82-R84 PolarHBondContact O-N 3.49Å; R84-I133 VanDerWaalsContact O-CG2 3.22Å; R84-I133 WeakPolarHBondContact O-CG2 3.39Å; R84-T134 PolarHBondContact N-OG1 2.98Å; R84-T134 PolarHBondContact O-N 3Å; R84-T134 PolarHBondContact O-OG1 3.36Å; R84-T134 VanDerWaalsContact O-OG1 3.12Å; R84-D135 PolarHBondContact O-N 3.09Å
85V94.3Very high88.2Confident2 Ų266.2 Ų66.21%0.01235%0.353CS..EExtended strand (participates in β ladder)trans-103131-174.5-174.40000110.5P83 I87 I108 A111 A112 D135 I137 L211P83-V85 HydrophobicContact CB-CG2 4.49Å; V85-I87 HydrophobicContact CG1-CG1 4.49Å; V85-I108 HydrophobicContact CB-CG2 4.22Å; V85-I108 HydrophobicContact CG1-CD1 4.26Å; V85-I108 HydrophobicContact CG2-CG2 3.96Å; V85-A111 HydrophobicContact CB-CB 4.23Å; V85-A111 CarbonylContact O-C 3.56Å; V85-A111 VanDerWaalsContact O-CA 3.24Å; V85-A111 WeakPolarHBondContact O-CA 3.39Å; V85-A112 PolarHBondContact O-N 3.13Å; V85-D135 WeakPolarHBondContact CA-O 3.44Å; V85-D135 HydrophobicContact CG1-CB 4.22Å; V85-D135 HydrophobicContact CG2-CB 4.14Å; V85-I137 HydrophobicContact CG1-CD1 3.59Å; V85-I137 HydrophobicContact CG1-CG1 3.83Å; V85-L211 HydrophobicContact CG1-CD2 4.49Å; V85-L211 HydrophobicContact CG2-CD2 4.28Å
86V95.5Very high88.6Confident5 Ų571.1 Ų71.13%0.0337%0.374CS..EExtended strand (participates in β ladder)trans-103.6127.3169.9164.80000110.3A112 I114 I133 D135 V136 I137V86-A112 WeakPolarHBondContact CA-O 3.48Å; V86-I114 HydrophobicContact CB-CD1 4.49Å; V86-I114 HydrophobicContact CG1-CB 4.24Å; V86-I114 HydrophobicContact CG1-CD1 3.61Å; V86-I114 HydrophobicContact CG1-CG1 3.88Å; V86-I114 HydrophobicContact CG2-CD1 3.97Å; V86-I133 HydrophobicContact CB-CD1 4.39Å; V86-I133 HydrophobicContact CB-CG2 4.18Å; V86-I133 HydrophobicContact CG2-CD1 3.27Å; V86-I133 HydrophobicContact CG2-CG1 4Å; V86-I133 HydrophobicContact CG2-CG2 3.94Å; V86-D135 PolarHBondContact N-O 2.91Å; V86-V136 CarbonylContact O-C 3.6Å; V86-V136 WeakPolarHBondContact O-CA 3.48Å; V86-I137 PolarHBondContact O-N 3.06Å
87I95.7Very high89.3Confident0 Ų066.5 Ų66.50%035%0.35CS..EExtended strand (participates in β ladder)trans-105125.5174-60.5162.1000108.6V85 A101 L104 R105 A111 A112 K113 I114 I137V85-I87 HydrophobicContact CG1-CG1 4.49Å; I87-A101 HydrophobicContact CG2-CB 4.29Å; I87-L104 VanDerWaalsContact CD1-C 3.45Å; I87-L104 HydrophobicContact CD1-CB 3.93Å; I87-R105 VanDerWaalsContact CD1-CA 3.46Å; I87-R105 HydrophobicContact CD1-CB 4.04Å; I87-A111 HydrophobicContact CD1-CB 3.83Å; I87-A111 HydrophobicContact CG1-CB 4.48Å; I87-A112 PolarHBondContact N-O 3.36Å; I87-K113 CarbonylContact O-C 3.58Å; I87-K113 WeakPolarHBondContact O-CA 3.35Å; I87-I114 PolarHBondContact O-N 3.34Å; I87-I137 WeakPolarHBondContact CA-O 3.34Å; I87-I137 HydrophobicContact CG1-CB 4.17Å; I87-I137 HydrophobicContact CG1-CD1 4.35Å
88T94.8Very high90.2Very high0 Ų061.6 Ų61.60%033%0.334CS..EExtended strand (participates in β ladder)trans-128.7159.2174.7-178.40000110R116 L124 V136 I137 I138 V139T88-R116 WeakPolarHBondContact OG1-CD 3.4Å; T88-L124 HydrophobicContact CG2-CD1 4.02Å; T88-V136 HydrophobicContact CG2-CG1 4.37Å; T88-I137 WeakPolarHBondContact CG2-O 3.49Å; T88-I137 PolarHBondContact N-O 2.98Å; T88-I138 HydrophobicContact CG2-CB 4.07Å; T88-I138 HydrophobicContact CG2-CD1 3.91Å; T88-I138 HydrophobicContact CG2-CG1 3.54Å; T88-I138 HydrophobicContact CG2-CG2 4.16Å; T88-I138 WeakPolarHBondContact O-CA 3.35Å; T88-V139 PolarHBondContact O-N 2.79Å
89T94.7Very high91.1Very high3 Ų363 Ų632%0.01833%0.333CS..EExtended strand (participates in β ladder)trans-100.2-179.4173.3600000111.2P93 L97 A101 R116 V139T89-P93 HydrophobicContact CG2-CB 4.07Å; T89-P93 HydrophobicContact CG2-CG 4.42Å; T89-P93 WeakPolarHBondContact OG1-CG 3.09Å; T89-L97 HydrophobicContact CG2-CD2 4.19Å; T89-L97 HydrophobicContact CG2-CG 3.99Å; T89-A101 HydrophobicContact CG2-CB 3.75Å; T89-R116 WeakPolarHBondContact O-CB 3.33Å; T89-R116 WeakPolarHBondContact O-CG 3.42Å; T89-V139 CarbonylContact C-O 3.6Å; T89-V139 VanDerWaalsContact CA-O 3.31Å; T89-V139 WeakPolarHBondContact CA-O 3.49Å
90S90.6Very high91.8Very high27 Ų2760.5 Ų60.519%0.18931%0.307CS..  trans-55.7170.9158.269.70000112.6S92 R116 V139S90-S92 PolarHBondContact O-N 3.25Å; S90-R116 WeakPolarHBondContact O-CB 3.45Å; S90-V139 PolarHBondContact N-O 3.12Å
91R89.7Confident92.3Very high174 Ų17455.3 Ų55.366%0.65728%0.275SS*.SBendtrans-57.7-45.5-175.2-171.4178.3-177.2176.3-0.6113.1G117 N118R91-G117 WeakPolarHBondContact CG-O 3.28Å; R91-N118 PolarHBondContact NH2-OD1 2.72Å
92S90.3Very high92.6Very high102 Ų10253.1 Ų53.171%0.71326%0.263SS*.SBendtrans-127.581-177.1-61.60000109.8S90S90-S92 PolarHBondContact O-N 3.25Å
93P93.8Very high92.7Very high27 Ų2749.5 Ų49.518%0.17524%0.243CC..  trans-78.8142.2-176.432.7-36.5000112T89 L97 K98 E141T89-P93 HydrophobicContact CG2-CB 4.07Å; T89-P93 HydrophobicContact CG2-CG 4.42Å; T89-P93 WeakPolarHBondContact OG1-CG 3.09Å; P93-L97 HydrophobicContact CB-CB 4.34Å; P93-L97 HydrophobicContact CB-CD2 3.77Å; P93-L97 HydrophobicContact CB-CG 4.19Å; P93-K98 HydrophobicContact CB-CG 4.15Å; P93-K98 HydrophobicContact CG-CD 4.47Å; P93-K98 HydrophobicContact CG-CG 3.98Å; P93-K98 WeakPolarHBondContact O-CE 3.5Å; P93-E141 WeakPolarHBondContact CA-OE1 3.49Å
94S93.6Very high92.7Very high35 Ų3549.2 Ų49.225%0.24524%0.241CC..  trans-64.9167.2167.582.30000111.4K96 L97 K98 E141S94-K96 VanDerWaalsContact C-N 3.33Å; S94-K96 PolarHBondContact OG-N 2.82Å; S94-L97 PolarHBondContact O-N 2.8Å; S94-L97 PolarHBondContact OG-N 2.82Å; S94-L97 VanDerWaalsContact OG-N 3.12Å; S94-K98 WeakPolarHBondContact O-CG 3.35Å; S94-K98 PolarHBondContact O-N 2.98Å; S94-K98 VanDerWaalsContact O-N 3.09Å; S94-E141 VanDerWaalsContact CB-OE1 3.27Å; S94-E141 WeakPolarHBondContact CB-OE1 3.33Å; S94-E141 VanDerWaalsContact CB-OE2 3.27Å; S94-E141 WeakPolarHBondContact CB-OE2 3.44Å; S94-E141 PolarHBondContact N-OE1 3.29Å; S94-E141 VanDerWaalsContact OG-CD 3.31Å; S94-E141 PolarHBondContact OG-OE1 3.1Å; S94-E141 PolarHBondContact OG-OE2 2.91Å
95S92.5Very high92.7Very high81 Ų8147.6 Ų47.657%0.56624%0.235SC*.Hα-helixtrans-58.4-45.4172.246.90000111.7L97 K98 E99S95-L97 PolarHBondContact O-N 3.34Å; S95-K98 WeakPolarHBondContact O-CB 3.45Å; S95-K98 PolarHBondContact O-N 2.88Å; S95-K98 VanDerWaalsContact O-N 3.1Å; S95-E99 WeakPolarHBondContact O-CG 3.26Å; S95-E99 PolarHBondContact O-N 3.23Å
96K91.2Very high92.5Very high118 Ų11850.2 Ų50.251%0.51325%0.246SC..Hα-helixtrans-60.1-44179.4-66.9-169.4175.1-167.80112.5S94 K98 E99 F100 G144S94-K96 VanDerWaalsContact C-N 3.33Å; S94-K96 PolarHBondContact OG-N 2.82Å; K96-K98 VanDerWaalsContact C-N 3.33Å; K96-K98 PolarHBondContact O-N 3.37Å; K96-E99 WeakPolarHBondContact O-CB 3.31Å; K96-E99 PolarHBondContact O-N 3.5Å; K96-F100 PolarHBondContact O-N 2.82Å; K96-G144 WeakPolarHBondContact CB-O 3.44Å
97L92.5Very high92.3Very high0 Ų050.2 Ų50.20%025%0.246CC..Hα-helixtrans-67.9-33.9176178.764.5000112.2T89 P93 S94 S95 E99 F100 A101 V139 E141 P146T89-L97 HydrophobicContact CG2-CD2 4.19Å; T89-L97 HydrophobicContact CG2-CG 3.99Å; P93-L97 HydrophobicContact CB-CB 4.34Å; P93-L97 HydrophobicContact CB-CD2 3.77Å; P93-L97 HydrophobicContact CB-CG 4.19Å; S94-L97 PolarHBondContact O-N 2.8Å; S94-L97 PolarHBondContact OG-N 2.82Å; S94-L97 VanDerWaalsContact OG-N 3.12Å; S95-L97 PolarHBondContact O-N 3.34Å; L97-E99 VanDerWaalsContact C-N 3.31Å; L97-E99 PolarHBondContact O-N 2.95Å; L97-F100 HydrophobicContact CD1-CD1 4.37Å; L97-F100 PolarHBondContact O-N 2.94Å; L97-A101 VanDerWaalsContact O-CB 3.28Å; L97-A101 WeakPolarHBondContact O-CB 3.4Å; L97-A101 PolarHBondContact O-N 2.85Å; L97-V139 HydrophobicContact CD1-CB 3.99Å; L97-V139 HydrophobicContact CD1-CG1 3.51Å; L97-E141 HydrophobicContact CB-CB 4.31Å; L97-E141 VanDerWaalsContact CB-CD 3.41Å; L97-E141 HydrophobicContact CB-CG 4.28Å; L97-E141 WeakPolarHBondContact CB-OE2 3.07Å; L97-E141 HydrophobicContact CD1-CB 4.33Å; L97-E141 HydrophobicContact CD2-CB 3.9Å; L97-E141 HydrophobicContact CD2-CG 3.68Å; L97-E141 HydrophobicContact CG-CB 4.4Å; L97-E141 HydrophobicContact CG-CG 4.48Å; L97-P146 HydrophobicContact CD1-CB 4.44Å; L97-P146 HydrophobicContact CD1-CG 4.32Å
98K92.9Very high92.1Very high101 Ų10150.6 Ų50.644%0.43925%0.248SC..Hα-helixtrans-64.6-37.5173.7-72.9173.9-170.8175.10111.7P93 S94 S95 K96 K102 K113P93-K98 HydrophobicContact CB-CG 4.15Å; P93-K98 HydrophobicContact CG-CD 4.47Å; P93-K98 HydrophobicContact CG-CG 3.98Å; P93-K98 WeakPolarHBondContact O-CE 3.5Å; S94-K98 WeakPolarHBondContact O-CG 3.35Å; S94-K98 PolarHBondContact O-N 2.98Å; S94-K98 VanDerWaalsContact O-N 3.09Å; S95-K98 WeakPolarHBondContact O-CB 3.45Å; S95-K98 PolarHBondContact O-N 2.88Å; S95-K98 VanDerWaalsContact O-N 3.1Å; K96-K98 VanDerWaalsContact C-N 3.33Å; K96-K98 PolarHBondContact O-N 3.37Å; K98-K102 PolarHBondContact O-N 3.31Å; K98-K113 PolarHBondContact O-NZ 3.43Å
99E91.2Very high91.7Very high78 Ų7851 Ų5136%0.36425%0.251SS..Hα-helixtrans-65.7-51.9174-72.2163.8-163.200110.4S95 K96 L97 A101 K102 E103S95-E99 WeakPolarHBondContact O-CG 3.26Å; S95-E99 PolarHBondContact O-N 3.23Å; K96-E99 WeakPolarHBondContact O-CB 3.31Å; K96-E99 PolarHBondContact O-N 3.5Å; L97-E99 VanDerWaalsContact C-N 3.31Å; L97-E99 PolarHBondContact O-N 2.95Å; E99-A101 VanDerWaalsContact C-N 3.34Å; E99-A101 PolarHBondContact O-N 3.28Å; E99-K102 CarbonylContact O-C 3.38Å; E99-K102 WeakPolarHBondContact O-CA 3.39Å; E99-K102 VanDerWaalsContact O-CB 3.24Å; E99-K102 WeakPolarHBondContact O-CB 3.49Å; E99-K102 PolarHBondContact O-N 2.85Å; E99-E103 PolarHBondContact O-N 3.41Å
100F92Very high91.5Very high0 Ų054.5 Ų54.50%027%0.27CS..Hα-helixtrans-57.7-42.9176.6-176.8-110.7000112.9K96 L97 K102 E103 L104 V139 P146 L164 V167 T169 P253 F255K96-F100 PolarHBondContact O-N 2.82Å; L97-F100 HydrophobicContact CD1-CD1 4.37Å; L97-F100 PolarHBondContact O-N 2.94Å; F100-K102 PolarHBondContact O-N 2.81Å; F100-E103 WeakPolarHBondContact O-CB 3.4Å; F100-E103 PolarHBondContact O-N 3.43Å; F100-E103 VanDerWaalsContact O-N 3.1Å; F100-L104 HydrophobicContact CD1-CD1 4.02Å; F100-L104 HydrophobicContact CD1-CG 4.42Å; F100-L104 HydrophobicContact CE1-CD1 3.57Å; F100-L104 HydrophobicContact CE1-CD2 4.5Å; F100-L104 HydrophobicContact CE1-CG 4.06Å; F100-L104 HydrophobicContact CZ-CD1 4.05Å; F100-L104 HydrophobicContact CZ-CD2 4.13Å; F100-L104 HydrophobicContact CZ-CG 4.11Å; F100-L104 PolarHBondContact O-N 2.92Å; F100-V139 HydrophobicContact CD1-CG1 3.92Å; F100-V139 HydrophobicContact CE1-CG1 3.84Å; F100-P146 HydrophobicContact CB-CG 4.04Å; F100-P146 HydrophobicContact CD1-CB 3.77Å; F100-P146 HydrophobicContact CD1-CG 3.54Å; F100-P146 HydrophobicContact CD2-CG 4.32Å; F100-P146 HydrophobicContact CE1-CB 3.79Å; F100-P146 HydrophobicContact CE1-CG 4.01Å; F100-P146 HydrophobicContact CG-CB 4.4Å; F100-P146 HydrophobicContact CG-CG 3.7Å; F100-P146 HydrophobicContact CZ-CB 4.45Å; F100-L164 HydrophobicContact CE1-CD1 4.15Å; F100-L164 HydrophobicContact CZ-CD1 4.38Å; F100-V167 HydrophobicContact CD2-CG1 3.91Å; F100-V167 HydrophobicContact CE2-CG1 3.47Å; F100-V167 VanDerWaalsContact CE2-CG1 3.47Å; F100-V167 HydrophobicContact CZ-CG1 3.94Å; F100-T169 HydrophobicContact CD2-CG2 4.37Å; F100-P253 HydrophobicContact CE2-CB 4.16Å; F100-P253 HydrophobicContact CE2-CG 4.49Å; F100-F255 HydrophobicContact CE2-CD1 4.3Å; F100-F255 HydrophobicContact CZ-CD1 4.26Å
101A93.6Very high91.6Very high0 Ų053.8 Ų53.80%027%0.265CS..Hα-helixtrans-64-27.1174.400000113.1I87 T89 L97 E99 R105 K113I87-A101 HydrophobicContact CG2-CB 4.29Å; T89-A101 HydrophobicContact CG2-CB 3.75Å; L97-A101 VanDerWaalsContact O-CB 3.28Å; L97-A101 WeakPolarHBondContact O-CB 3.4Å; L97-A101 PolarHBondContact O-N 2.85Å; E99-A101 VanDerWaalsContact C-N 3.34Å; E99-A101 PolarHBondContact O-N 3.28Å; A101-R105 PolarHBondContact O-N 3.06Å; A101-K113 HydrophobicContact CB-CD 4.31Å
102K91.4Very high91.9Very high112 Ų11247.7 Ų47.749%0.48725%0.252SS..Hα-helixtrans-75.9-36.9173.2-171.7-174.8179.3-173.30110.8K98 E99 F100 R105 F106K98-K102 PolarHBondContact O-N 3.31Å; E99-K102 CarbonylContact O-C 3.38Å; E99-K102 WeakPolarHBondContact O-CA 3.39Å; E99-K102 VanDerWaalsContact O-CB 3.24Å; E99-K102 WeakPolarHBondContact O-CB 3.49Å; E99-K102 PolarHBondContact O-N 2.85Å; F100-K102 PolarHBondContact O-N 2.81Å; K102-R105 WeakPolarHBondContact O-CB 3.41Å; K102-R105 PolarHBondContact O-N 3.25Å; K102-F106 HydrophobicContact CD-CE2 4.23Å; K102-F106 HydrophobicContact CG-CD2 4.3Å; K102-F106 HydrophobicContact CG-CE2 3.74Å; K102-F106 HydrophobicContact CG-CZ 4.47Å; K102-F106 WeakPolarHBondContact O-CD2 3.43Å; K102-F106 PolarHBondContact O-N 3.05Å
103E90.5Very high92Very high8 Ų845.4 Ų45.44%0.03723%0.229CC..Hα-helixtrans-63.6-46.6173.5-66.7176.1-177.300111.5E99 F100 R105 F106 L107 T169 R170 H171 P253E99-E103 PolarHBondContact O-N 3.41Å; F100-E103 WeakPolarHBondContact O-CB 3.4Å; F100-E103 PolarHBondContact O-N 3.43Å; F100-E103 VanDerWaalsContact O-N 3.1Å; E103-R105 PolarHBondContact O-N 3.2Å; E103-F106 PolarHBondContact O-N 3.44Å; E103-L107 PolarHBondContact O-N 2.77Å; E103-T169 WeakPolarHBondContact OE2-CA 3.42Å; E103-R170 HydrophobicContact CG-CB 4.22Å; E103-R170 VanDerWaalsContact OE1-CB 3.29Å; E103-R170 WeakPolarHBondContact OE1-CB 3.44Å; E103-R170 PolarHBondContact OE1-N 2.81Å; E103-R170 PolarHBondContact OE2-N 3.06Å; E103-H171 IonicContact OE1-CD2 2.77Å; E103-H171 PolarHBondContact OE1-CD2 3.16Å; E103-P253 HydrophobicContact CB-CG 4.28Å
104L92.1Very high92Very high8 Ų846.8 Ų46.84%0.04223%0.234CC..Hα-helixtrans-59.1-34.8174.3-70.7177.6000112.6I87 F100 F106 L107 I108 V139 L149 F255I87-L104 VanDerWaalsContact CD1-C 3.45Å; I87-L104 HydrophobicContact CD1-CB 3.93Å; F100-L104 HydrophobicContact CD1-CD1 4.02Å; F100-L104 HydrophobicContact CD1-CG 4.42Å; F100-L104 HydrophobicContact CE1-CD1 3.57Å; F100-L104 HydrophobicContact CE1-CD2 4.5Å; F100-L104 HydrophobicContact CE1-CG 4.06Å; F100-L104 HydrophobicContact CZ-CD1 4.05Å; F100-L104 HydrophobicContact CZ-CD2 4.13Å; F100-L104 HydrophobicContact CZ-CG 4.11Å; F100-L104 PolarHBondContact O-N 2.92Å; L104-F106 VanDerWaalsContact C-N 3.33Å; L104-F106 PolarHBondContact O-N 3.34Å; L104-L107 HydrophobicContact CD2-CD1 4.3Å; L104-L107 WeakPolarHBondContact O-CB 3.47Å; L104-L107 PolarHBondContact O-N 2.63Å; L104-I108 PolarHBondContact O-N 3.14Å; L104-I108 VanDerWaalsContact O-N 3.13Å; L104-V139 HydrophobicContact CD1-CG2 3.59Å; L104-L149 HydrophobicContact CD1-CD1 4.08Å; L104-F255 HydrophobicContact CD2-CE1 4.17Å; L104-F255 HydrophobicContact CD2-CZ 4.43Å
105R93Very high91.9Very high118 Ų11850.7 Ų50.745%0.44525%0.253SS..Hα-helixtrans-64.3-37.3174-178.9-166.5164.3-172.4-8112.2I87 A101 K102 E103 L107 A111 K113I87-R105 VanDerWaalsContact CD1-CA 3.46Å; I87-R105 HydrophobicContact CD1-CB 4.04Å; A101-R105 PolarHBondContact O-N 3.06Å; K102-R105 WeakPolarHBondContact O-CB 3.41Å; K102-R105 PolarHBondContact O-N 3.25Å; E103-R105 PolarHBondContact O-N 3.2Å; R105-L107 VanDerWaalsContact C-N 3.32Å; R105-A111 HydrophobicContact CG-CB 4.44Å; R105-A111 WeakPolarHBondContact CG-O 3.47Å; R105-K113 HydrophobicContact CB-CB 4.46Å; R105-K113 HydrophobicContact CG-CB 4.46Å
106F90.6Very high91.7Very high58 Ų5847.8 Ų47.825%0.25423%0.229SC..Hα-helixtrans-76.1-25.2175.6-68.1-56.4000112.4K102 E103 L104 M184 Q186K102-F106 HydrophobicContact CD-CE2 4.23Å; K102-F106 HydrophobicContact CG-CD2 4.3Å; K102-F106 HydrophobicContact CG-CE2 3.74Å; K102-F106 HydrophobicContact CG-CZ 4.47Å; K102-F106 WeakPolarHBondContact O-CD2 3.43Å; K102-F106 PolarHBondContact O-N 3.05Å; E103-F106 PolarHBondContact O-N 3.44Å; L104-F106 VanDerWaalsContact C-N 3.33Å; L104-F106 PolarHBondContact O-N 3.34Å; F106-M184 VanDerWaalsContact C-SD 3.59Å; F106-M184 HydrophobicContact CB-CB 4.34Å; F106-M184 HydrophobicContact CB-CG 4.43Å; F106-M184 HydrophobicContact CB-SD 3.42Å; F106-M184 WeakPolarHBondContact CB-SD 3.41Å; F106-Q186 VanDerWaalsContact CD1-NE2 3.34Å
107L90.9Very high91.5Very high5 Ų544.1 Ų44.13%0.02623%0.225CC..Hα-helixtrans-66.4-49.7176.4-169.6153.3000111.7E103 L104 R105 P109 M184 F212 R221 F234 P253 F255E103-L107 PolarHBondContact O-N 2.77Å; L104-L107 HydrophobicContact CD2-CD1 4.3Å; L104-L107 WeakPolarHBondContact O-CB 3.47Å; L104-L107 PolarHBondContact O-N 2.63Å; R105-L107 VanDerWaalsContact C-N 3.32Å; L107-P109 WeakPolarHBondContact O-CD 3.13Å; L107-M184 HydrophobicContact CB-CE 3.75Å; L107-M184 HydrophobicContact CD1-CE 4.46Å; L107-M184 HydrophobicContact CG-CE 4.11Å; L107-F212 HydrophobicContact CD2-CE1 3.72Å; L107-F212 HydrophobicContact CD2-CZ 3.51Å; L107-R221 PolarHBondContact O-NH1 3.03Å; L107-R221 PolarHBondContact O-NH2 2.91Å; L107-F234 HydrophobicContact CD1-CD1 4.4Å; L107-F234 HydrophobicContact CD1-CE1 3.32Å; L107-F234 HydrophobicContact CD1-CE2 4.23Å; L107-F234 HydrophobicContact CD1-CZ 3.21Å; L107-F234 HydrophobicContact CD2-CE2 4.31Å; L107-F234 HydrophobicContact CD2-CZ 3.9Å; L107-F234 HydrophobicContact CG-CE1 4.35Å; L107-F234 HydrophobicContact CG-CZ 3.79Å; L107-P253 HydrophobicContact CD1-CG 3.86Å; L107-F255 HydrophobicContact CD1-CE1 4.5Å
108I91.7Very high91.4Very high7 Ų750.5 Ų50.54%0.03626%0.259CS..SBendtrans-92112-180-59.3171.7000108.9V85 L104 A111 I137 L211 F212V85-I108 HydrophobicContact CB-CG2 4.22Å; V85-I108 HydrophobicContact CG1-CD1 4.26Å; V85-I108 HydrophobicContact CG2-CG2 3.96Å; L104-I108 PolarHBondContact O-N 3.14Å; L104-I108 VanDerWaalsContact O-N 3.13Å; I108-A111 HydrophobicContact CB-CB 3.83Å; I108-A111 HydrophobicContact CG2-CB 3.99Å; I108-A111 VanDerWaalsContact O-CB 3.25Å; I108-A111 WeakPolarHBondContact O-CB 3.39Å; I108-A111 PolarHBondContact O-N 3.2Å; I108-I137 HydrophobicContact CD1-CD1 3.39Å; I108-L211 HydrophobicContact CD1-CB 4.44Å; I108-L211 VanDerWaalsContact CG2-O 3.22Å; I108-L211 WeakPolarHBondContact CG2-O 3.44Å; I108-F212 HydrophobicContact CB-CE1 4.48Å; I108-F212 HydrophobicContact CG1-CE1 3.95Å; I108-F212 HydrophobicContact CG1-CZ 3.99Å
109P87Confident91.2Very high9 Ų952.2 Ų52.26%0.05826%0.264CS..THydrogen-bonded Turntrans-61.8145.7172.331.3-35.9000109.2L107 A111 Y188 P213L107-P109 WeakPolarHBondContact O-CD 3.13Å; P109-A111 PolarHBondContact O-N 2.81Å; P109-Y188 HydrophobicContact CB-CD1 3.63Å; P109-Y188 HydrophobicContact CB-CE1 3.78Å; P109-Y188 HydrophobicContact CG-CD1 3.74Å; P109-Y188 HydrophobicContact CG-CE1 4.21Å; P109-P213 HydrophobicContact CB-CG 4.29Å; P109-P213 HydrophobicContact CG-CG 3.49Å; P109-P213 VanDerWaalsContact CG-CG 3.49Å
110N90.3Very high91.1Very high77 Ų7754.1 Ų54.141%0.41228%0.276SS..THydrogen-bonded Turntrans69.26.6-172.2-53.5-26.9000116.3Y188N110-Y188 PolarHBondContact ND2-OH 2.76Å
111A93.6Very high90.9Very high11 Ų1157.6 Ų57.69%0.09129%0.294CS..  trans-78.7141.217500000113.6V85 I87 R105 I108 P109V85-A111 HydrophobicContact CB-CB 4.23Å; V85-A111 CarbonylContact O-C 3.56Å; V85-A111 VanDerWaalsContact O-CA 3.24Å; V85-A111 WeakPolarHBondContact O-CA 3.39Å; I87-A111 HydrophobicContact CD1-CB 3.83Å; I87-A111 HydrophobicContact CG1-CB 4.48Å; R105-A111 HydrophobicContact CG-CB 4.44Å; R105-A111 WeakPolarHBondContact CG-O 3.47Å; I108-A111 HydrophobicContact CB-CB 3.83Å; I108-A111 HydrophobicContact CG2-CB 3.99Å; I108-A111 VanDerWaalsContact O-CB 3.25Å; I108-A111 WeakPolarHBondContact O-CB 3.39Å; I108-A111 PolarHBondContact O-N 3.2Å; P109-A111 PolarHBondContact O-N 2.81Å
112A94.2Very high90.7Very high46 Ų4663.4 Ų63.438%0.3832%0.319SS..EExtended strand (participates in β ladder)trans-115.4130.117300000110.7V85 V86 I87V85-A112 PolarHBondContact O-N 3.13Å; V86-A112 WeakPolarHBondContact CA-O 3.48Å; I87-A112 PolarHBondContact N-O 3.36Å
113K93.9Very high90.6Very high54 Ų5461.6 Ų61.624%0.23532%0.315CS..EExtended strand (participates in β ladder)trans-87127.7172.6-179.8-175.9173-179.80109.8I87 K98 A101 R105I87-K113 CarbonylContact O-C 3.58Å; I87-K113 WeakPolarHBondContact O-CA 3.35Å; K98-K113 PolarHBondContact O-NZ 3.43Å; A101-K113 HydrophobicContact CB-CD 4.31Å; R105-K113 HydrophobicContact CB-CB 4.46Å; R105-K113 HydrophobicContact CG-CB 4.46Å
114I93.2Very high90.6Very high57 Ų5761.6 Ų61.629%0.29232%0.315SS..EExtended strand (participates in β ladder)trans-113.3135.8173.1-61-176.7000109.3V86 I87V86-I114 HydrophobicContact CB-CD1 4.49Å; V86-I114 HydrophobicContact CG1-CB 4.24Å; V86-I114 HydrophobicContact CG1-CD1 3.61Å; V86-I114 HydrophobicContact CG1-CG1 3.88Å; V86-I114 HydrophobicContact CG2-CD1 3.97Å; I87-I114 PolarHBondContact O-N 3.34Å
115N91.8Very high90.5Very high117 Ų11761.2 Ų61.263%0.62631%0.314SS*.  trans-78.5125.2174.2-68.4-30.6000109.7
116R87.4Confident90.3Very high19 Ų1959 Ų597%0.07231%0.308CS..  trans-69.3-46.6-171.9-172.664-162.5-139-15.7114.2T88 T89 S90 N118 Y119 N121 L124T88-R116 WeakPolarHBondContact OG1-CD 3.4Å; T89-R116 WeakPolarHBondContact O-CB 3.33Å; T89-R116 WeakPolarHBondContact O-CG 3.42Å; S90-R116 WeakPolarHBondContact O-CB 3.45Å; R116-N118 PolarHBondContact O-N 2.98Å; R116-Y119 PolarHBondContact NE-O 2.8Å; R116-Y119 PolarHBondContact NH2-O 3.43Å; R116-Y119 WeakPolarHBondContact O-CB 3.13Å; R116-Y119 WeakPolarHBondContact O-CD2 3.31Å; R116-Y119 PolarHBondContact O-N 2.9Å; R116-N121 PolarHBondContact NH1-OD1 2.82Å; R116-N121 VanDerWaalsContact NH2-CA 3.28Å; R116-N121 PolarHBondContact NH2-OD1 3.23Å; R116-L124 VanDerWaalsContact NH1-CD1 3.29Å
117G87.3Confident90.3Very high41 Ų4158.6 Ų58.642%0.42332%0.316SS..THydrogen-bonded Turntrans46.9-127.6-178.300000113R91R91-G117 WeakPolarHBondContact CG-O 3.28Å
118N90.4Very high90.3Very high134 Ų13458.5 Ų58.572%0.71732%0.316SS*.THydrogen-bonded Turntrans-9413.8179.6-72.1-34.9000114.3R91 R116 L120R91-N118 PolarHBondContact NH2-OD1 2.72Å; R116-N118 PolarHBondContact O-N 2.98Å; N118-L120 PolarHBondContact O-N 3.29Å
119Y89.3Confident90.2Very high138 Ų13859.5 Ų59.554%0.54132%0.321SS..  trans-65.9130.4177.1-74.1-72000111R116R116-Y119 PolarHBondContact NE-O 2.8Å; R116-Y119 PolarHBondContact NH2-O 3.43Å; R116-Y119 WeakPolarHBondContact O-CB 3.13Å; R116-Y119 WeakPolarHBondContact O-CD2 3.31Å; R116-Y119 PolarHBondContact O-N 2.9Å
120L89.5Confident90.3Very high117 Ų11761.7 Ų61.761%0.61334%0.34SS*.  trans-75.3152.4166.6-66.7170.3000110.1N118 K122 N123 L124N118-L120 PolarHBondContact O-N 3.29Å; L120-K122 VanDerWaalsContact C-N 3.27Å; L120-K122 PolarHBondContact O-N 3Å; L120-N123 PolarHBondContact O-N 3.49Å; L120-L124 PolarHBondContact O-N 2.94Å
121N88.1Confident90.3Very high73 Ų7364.7 Ų64.739%0.3935%0.349SS..Hα-helixtrans-58.3-42.8-177.2-80.1-23.3000111.3R116 L124 L125R116-N121 PolarHBondContact NH1-OD1 2.82Å; R116-N121 VanDerWaalsContact NH2-CA 3.28Å; R116-N121 PolarHBondContact NH2-OD1 3.23Å; N121-L124 PolarHBondContact O-N 2.86Å; N121-L125 VanDerWaalsContact O-CG 3.31Å; N121-L125 WeakPolarHBondContact O-CG 3.37Å; N121-L125 PolarHBondContact O-N 3.19Å
122K88.2Confident90.1Very high122 Ų12272 Ų7253%0.5338%0.381SS..Hα-helixtrans-57.3-51.3176.8-175.4175.3176.6-1800112.1L120 L124 L125 E126L120-K122 VanDerWaalsContact C-N 3.27Å; L120-K122 PolarHBondContact O-N 3Å; K122-L124 VanDerWaalsContact C-N 3.3Å; K122-L124 PolarHBondContact O-N 3.24Å; K122-L125 PolarHBondContact O-N 2.91Å; K122-E126 WeakPolarHBondContact CE-OE1 3.45Å; K122-E126 WeakPolarHBondContact CG-OE1 3.23Å; K122-E126 WeakPolarHBondContact O-CG 3.21Å; K122-E126 PolarHBondContact O-N 3.05Å
123N89.9Confident90Very high75 Ų7570.6 Ų70.640%0.40137%0.367SS..Hα-helixtrans-64.7-35.8-179.2-61.27.1000111.9L120 A127L120-N123 PolarHBondContact O-N 3.49Å; N123-A127 WeakPolarHBondContact O-CB 3.48Å; N123-A127 PolarHBondContact O-N 2.99Å
124L90.5Very high89.9Confident7 Ų769.6 Ų69.64%0.03737%0.366CS..Hα-helixtrans-63.7-46.7175.3-175.7143.7000110.9T88 R116 L120 N121 K122 A127 C128 V136T88-L124 HydrophobicContact CG2-CD1 4.02Å; R116-L124 VanDerWaalsContact NH1-CD1 3.29Å; L120-L124 PolarHBondContact O-N 2.94Å; N121-L124 PolarHBondContact O-N 2.86Å; K122-L124 VanDerWaalsContact C-N 3.3Å; K122-L124 PolarHBondContact O-N 3.24Å; L124-A127 PolarHBondContact O-N 3.31Å; L124-C128 PolarHBondContact O-N 3.21Å; L124-C128 PolarHBondContact O-SG 2.76Å; L124-V136 HydrophobicContact CD2-CG1 3.76Å; L124-V136 HydrophobicContact CD2-CG2 4.39Å
125L89.5Confident89.9Confident1 Ų167 Ų671%0.00535%0.352CS..Hα-helixtrans-67-42.2-179.6-66.1162.8000111.5N121 K122 A127 C128 L129 V136 L154 L267 H268N121-L125 VanDerWaalsContact O-CG 3.31Å; N121-L125 WeakPolarHBondContact O-CG 3.37Å; N121-L125 PolarHBondContact O-N 3.19Å; K122-L125 PolarHBondContact O-N 2.91Å; L125-A127 VanDerWaalsContact C-N 3.31Å; L125-A127 PolarHBondContact O-N 3.31Å; L125-C128 PolarHBondContact O-N 3.15Å; L125-C128 VanDerWaalsContact O-N 3.11Å; L125-L129 WeakPolarHBondContact O-CB 3.38Å; L125-L129 VanDerWaalsContact O-CG 3.28Å; L125-L129 WeakPolarHBondContact O-CG 3.2Å; L125-L129 PolarHBondContact O-N 2.92Å; L125-V136 HydrophobicContact CD2-CG2 4.28Å; L125-L154 HydrophobicContact CD2-CD1 4.39Å; L125-L154 HydrophobicContact CD2-CD2 4.04Å; L125-L267 HydrophobicContact CD1-CB 4.1Å; L125-H268 HydrophobicContact CD1-CB 3.77Å; L125-H268 VanDerWaalsContact CD1-CD2 3.49Å; L125-H268 WeakPolarHBondContact CD1-CD2 3.46Å
126E88.4Confident90Very high70 Ų7061.4 Ų61.433%0.32732%0.323SS..Hα-helixtrans-59-41.9174.4-73.7177.2-173.800111.8K122 L129 A130K122-E126 WeakPolarHBondContact CE-OE1 3.45Å; K122-E126 WeakPolarHBondContact CG-OE1 3.23Å; K122-E126 WeakPolarHBondContact O-CG 3.21Å; K122-E126 PolarHBondContact O-N 3.05Å; E126-L129 PolarHBondContact O-N 3.07Å; E126-A130 WeakPolarHBondContact O-CB 3.49Å; E126-A130 PolarHBondContact O-N 2.89Å
127A90.2Very high90.4Very high51 Ų5160.8 Ų60.842%0.42132%0.321SS..Hα-helixtrans-66.8-35.8174.800000112.7N123 L124 L125 K131N123-A127 WeakPolarHBondContact O-CB 3.48Å; N123-A127 PolarHBondContact O-N 2.99Å; L124-A127 PolarHBondContact O-N 3.31Å; L125-A127 VanDerWaalsContact C-N 3.31Å; L125-A127 PolarHBondContact O-N 3.31Å; A127-K131 PolarHBondContact O-N 2.85Å
128C91.4Very high90.8Very high3 Ų359.3 Ų59.32%0.0230%0.303CS..Hα-helixtrans-68.3-44.8176.5-67.50000111.5L124 L125 A130 K131 Q132 I133 V136 L154L124-C128 PolarHBondContact O-N 3.21Å; L124-C128 PolarHBondContact O-SG 2.76Å; L125-C128 PolarHBondContact O-N 3.15Å; L125-C128 VanDerWaalsContact O-N 3.11Å; C128-A130 VanDerWaalsContact C-N 3.33Å; C128-A130 PolarHBondContact O-N 3.04Å; C128-K131 CarbonylContact O-C 3.55Å; C128-K131 PolarHBondContact O-N 2.85Å; C128-K131 VanDerWaalsContact O-N 3.13Å; C128-Q132 PolarHBondContact O-N 2.91Å; C128-I133 HydrophobicContact CB-CB 4Å; C128-I133 HydrophobicContact CB-CD1 3.91Å; C128-I133 HydrophobicContact CB-CG2 4.18Å; C128-I133 WeakPolarHBondContact O-CB 3.32Å; C128-I133 PolarHBondContact O-N 2.97Å; C128-V136 HydrophobicContact CB-CG2 4.01Å; C128-L154 HydrophobicContact CB-CD1 3.66Å
129L89.4Confident91Very high28 Ų2852.9 Ų52.915%0.14727%0.269CS..Hα-helixtrans-60.6-40.8175.4-73.5169.4000112.2L125 E126 K131 Q132 L154 P155L125-L129 WeakPolarHBondContact O-CB 3.38Å; L125-L129 VanDerWaalsContact O-CG 3.28Å; L125-L129 WeakPolarHBondContact O-CG 3.2Å; L125-L129 PolarHBondContact O-N 2.92Å; E126-L129 PolarHBondContact O-N 3.07Å; L129-K131 PolarHBondContact O-N 2.65Å; L129-Q132 PolarHBondContact O-N 2.81Å; L129-Q132 VanDerWaalsContact O-N 3.16Å; L129-L154 HydrophobicContact CD2-CB 4.12Å; L129-L154 HydrophobicContact CD2-CD1 4.36Å; L129-L154 HydrophobicContact CD2-CD2 4.15Å; L129-L154 HydrophobicContact CD2-CG 4.46Å; L129-L154 HydrophobicContact CG-CD1 4.36Å; L129-L154 HydrophobicContact CG-CD2 4.42Å; L129-P155 HydrophobicContact CD2-CB 3.58Å
130A89.9Confident91.3Very high55 Ų5548.6 Ų48.646%0.45526%0.255SS..Hα-helixtrans-64-28.4177.300000113M1 E126 C128M1-A130 HydrophobicContact CE-CB 4.06Å; M1-A130 HydrophobicContact SD-CB 4.2Å; E126-A130 WeakPolarHBondContact O-CB 3.49Å; E126-A130 PolarHBondContact O-N 2.89Å; C128-A130 VanDerWaalsContact C-N 3.33Å; C128-A130 PolarHBondContact O-N 3.04Å
131K90.7Very high91.5Very high140 Ų14044.7 Ų44.761%0.60923%0.234SC*.THydrogen-bonded Turntrans-93.75.6177-70.9-175.2177.4-174.20114A127 C128 L129 I133A127-K131 PolarHBondContact O-N 2.85Å; C128-K131 CarbonylContact O-C 3.55Å; C128-K131 PolarHBondContact O-N 2.85Å; C128-K131 VanDerWaalsContact O-N 3.13Å; L129-K131 PolarHBondContact O-N 2.65Å; K131-I133 VanDerWaalsContact C-N 3.28Å; K131-I133 HydrophobicContact CB-CD1 3.97Å; K131-I133 HydrophobicContact CB-CG1 4.15Å; K131-I133 HydrophobicContact CD-CD1 4.41Å; K131-I133 PolarHBondContact O-N 2.88Å
132Q88.8Confident91.8Very high163 Ų16344.6 Ų44.676%0.76224%0.238SC*.THydrogen-bonded Turntrans53.745-177-57.8172.9-60.300112.2C128 L129C128-Q132 PolarHBondContact O-N 2.91Å; L129-Q132 PolarHBondContact O-N 2.81Å; L129-Q132 VanDerWaalsContact O-N 3.16Å
133I92.1Very high91.9Very high18 Ų1850.8 Ų50.89%0.09226%0.258CS..  trans-76.6136.1172.3-73.4161.8000108.4R84 V86 C128 K131 D135 V136R84-I133 VanDerWaalsContact O-CG2 3.22Å; R84-I133 WeakPolarHBondContact O-CG2 3.39Å; V86-I133 HydrophobicContact CB-CD1 4.39Å; V86-I133 HydrophobicContact CB-CG2 4.18Å; V86-I133 HydrophobicContact CG2-CD1 3.27Å; V86-I133 HydrophobicContact CG2-CG1 4Å; V86-I133 HydrophobicContact CG2-CG2 3.94Å; C128-I133 HydrophobicContact CB-CB 4Å; C128-I133 HydrophobicContact CB-CD1 3.91Å; C128-I133 HydrophobicContact CB-CG2 4.18Å; C128-I133 WeakPolarHBondContact O-CB 3.32Å; C128-I133 PolarHBondContact O-N 2.97Å; K131-I133 VanDerWaalsContact C-N 3.28Å; K131-I133 HydrophobicContact CB-CD1 3.97Å; K131-I133 HydrophobicContact CB-CG1 4.15Å; K131-I133 HydrophobicContact CD-CD1 4.41Å; K131-I133 PolarHBondContact O-N 2.88Å; I133-D135 VanDerWaalsContact CG2-O 3.28Å; I133-D135 WeakPolarHBondContact CG2-O 3.11Å; I133-V136 HydrophobicContact CG2-CG2 4.32Å
134T91.6Very high91.8Very high33 Ų3347.8 Ų47.820%0.20225%0.246CC..  trans-81.6-41.6-178.260.70000111.2P83 R84 H153 L154P83-T134 WeakPolarHBondContact CB-OG1 3.35Å; R84-T134 PolarHBondContact N-OG1 2.98Å; R84-T134 PolarHBondContact O-N 3Å; R84-T134 PolarHBondContact O-OG1 3.36Å; R84-T134 VanDerWaalsContact O-OG1 3.12Å; T134-H153 PolarHBondContact O-ND1 3.1Å; T134-L154 PolarHBondContact O-N 3.44Å
135D93.7Very high91.9Very high1 Ų151.6 Ų51.61%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-139.8144.3-173.1-55.6-77.5000112.3R84 V85 V86 I133 S152 H153 L211R84-D135 PolarHBondContact O-N 3.09Å; V85-D135 WeakPolarHBondContact CA-O 3.44Å; V85-D135 HydrophobicContact CG1-CB 4.22Å; V85-D135 HydrophobicContact CG2-CB 4.14Å; V86-D135 PolarHBondContact N-O 2.91Å; I133-D135 VanDerWaalsContact CG2-O 3.28Å; I133-D135 WeakPolarHBondContact CG2-O 3.11Å; D135-S152 WeakPolarHBondContact CA-O 3.45Å; D135-H153 WeakPolarHBondContact OD1-CA 3.45Å; D135-H153 WeakPolarHBondContact OD1-CB 3.4Å; D135-H153 IonicContact OD1-CE1 3.13Å; D135-H153 IonicContact OD1-CG 2.79Å; D135-H153 IonicContact OD1-ND1 3.76Å; D135-H153 PolarHBondContact OD1-ND1 3.33Å; D135-H153 IonicContact OD2-ND1 3.72Å; D135-L211 HydrophobicContact CB-CD2 3.55Å
136V94.4Very high92.1Very high1 Ų151.9 Ų51.91%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-118.6123.5172.7178.50000108.9V86 T88 L124 L125 C128 I133 I138 S152 L154V86-V136 CarbonylContact O-C 3.6Å; V86-V136 WeakPolarHBondContact O-CA 3.48Å; T88-V136 HydrophobicContact CG2-CG1 4.37Å; L124-V136 HydrophobicContact CD2-CG1 3.76Å; L124-V136 HydrophobicContact CD2-CG2 4.39Å; L125-V136 HydrophobicContact CD2-CG2 4.28Å; C128-V136 HydrophobicContact CB-CG2 4.01Å; I133-V136 HydrophobicContact CG2-CG2 4.32Å; V136-I138 HydrophobicContact CG1-CD1 4.49Å; V136-I138 HydrophobicContact CG1-CG1 4.04Å; V136-S152 PolarHBondContact N-O 3.43Å; V136-S152 PolarHBondContact O-N 3.26Å; V136-L154 HydrophobicContact CG2-CD1 3.71Å; V136-L154 HydrophobicContact CG2-CG 4.47Å
137I95.5Very high92.4Very high6 Ų651.1 Ų51.13%0.03127%0.269CS..EExtended strand (participates in β ladder)trans-107121.4174-58.5177.7000108.6V85 V86 I87 T88 I108 V139 L149 I150 L211V85-I137 HydrophobicContact CG1-CD1 3.59Å; V85-I137 HydrophobicContact CG1-CG1 3.83Å; V86-I137 PolarHBondContact O-N 3.06Å; I87-I137 WeakPolarHBondContact CA-O 3.34Å; I87-I137 HydrophobicContact CG1-CB 4.17Å; I87-I137 HydrophobicContact CG1-CD1 4.35Å; T88-I137 WeakPolarHBondContact CG2-O 3.49Å; T88-I137 PolarHBondContact N-O 2.98Å; I108-I137 HydrophobicContact CD1-CD1 3.39Å; I137-V139 HydrophobicContact CG2-CG2 4.23Å; I137-L149 HydrophobicContact CG2-CD1 4.15Å; I137-L149 HydrophobicContact CG2-CG 4.11Å; I137-I150 CarbonylContact C-O 3.54Å; I137-I150 VanDerWaalsContact CA-O 3.25Å; I137-I150 WeakPolarHBondContact CA-O 3.37Å; I137-L211 HydrophobicContact CD1-CD1 4.34Å; I137-L211 HydrophobicContact CD1-CD2 4.33Å
138I94.8Very high92.6Very high9 Ų950 Ų505%0.04626%0.257CS..EExtended strand (participates in β ladder)trans-111.1125.7173.9-46.9-156.4000109.2T88 V136 I150 L267T88-I138 HydrophobicContact CG2-CB 4.07Å; T88-I138 HydrophobicContact CG2-CD1 3.91Å; T88-I138 HydrophobicContact CG2-CG1 3.54Å; T88-I138 HydrophobicContact CG2-CG2 4.16Å; T88-I138 WeakPolarHBondContact O-CA 3.35Å; V136-I138 HydrophobicContact CG1-CD1 4.49Å; V136-I138 HydrophobicContact CG1-CG1 4.04Å; I138-I150 HydrophobicContact CB-CB 4.21Å; I138-I150 PolarHBondContact N-O 3.36Å; I138-I150 PolarHBondContact O-N 3.23Å; I138-L267 HydrophobicContact CD1-CD2 3.25Å; I138-L267 HydrophobicContact CG1-CD2 4.16Å
139V95.4Very high92.8Very high0 Ų050.3 Ų50.30%026%0.258CS..EExtended strand (participates in β ladder)trans-110.4127.6176.5-165.30000110.4T88 T89 S90 L97 F100 L104 I137 P146 T148 L149T88-V139 PolarHBondContact O-N 2.79Å; T89-V139 CarbonylContact C-O 3.6Å; T89-V139 VanDerWaalsContact CA-O 3.31Å; T89-V139 WeakPolarHBondContact CA-O 3.49Å; S90-V139 PolarHBondContact N-O 3.12Å; L97-V139 HydrophobicContact CD1-CB 3.99Å; L97-V139 HydrophobicContact CD1-CG1 3.51Å; F100-V139 HydrophobicContact CD1-CG1 3.92Å; F100-V139 HydrophobicContact CE1-CG1 3.84Å; L104-V139 HydrophobicContact CD1-CG2 3.59Å; I137-V139 HydrophobicContact CG2-CG2 4.23Å; V139-P146 HydrophobicContact CG1-CB 4.28Å; V139-T148 WeakPolarHBondContact CA-O 3.39Å; V139-L149 HydrophobicContact CG2-CD1 4.34Å
140N94.9Very high93.1Very high47 Ų4749.8 Ų49.825%0.25126%0.255SS..EExtended strand (participates in β ladder)trans-108.1165.3171.9-57.1-41.4000110.7P146 D147 T148N140-P146 WeakPolarHBondContact O-CA 3.4Å; N140-D147 WeakPolarHBondContact CB-OD1 3.38Å; N140-D147 PolarHBondContact O-N 2.94Å; N140-D147 VanDerWaalsContact O-N 3.09Å; N140-T148 PolarHBondContact N-O 2.8Å
141E94.2Very high93.4Very high36 Ų3647.3 Ų47.317%0.16824%0.235CC..EExtended strand (participates in β ladder)trans-141.4157.6178.468.7-176.8154.400110.9P93 S94 L97 G144 V145 D147P93-E141 WeakPolarHBondContact CA-OE1 3.49Å; S94-E141 VanDerWaalsContact CB-OE1 3.27Å; S94-E141 WeakPolarHBondContact CB-OE1 3.33Å; S94-E141 VanDerWaalsContact CB-OE2 3.27Å; S94-E141 WeakPolarHBondContact CB-OE2 3.44Å; S94-E141 PolarHBondContact N-OE1 3.29Å; S94-E141 VanDerWaalsContact OG-CD 3.31Å; S94-E141 PolarHBondContact OG-OE1 3.1Å; S94-E141 PolarHBondContact OG-OE2 2.91Å; L97-E141 HydrophobicContact CB-CB 4.31Å; L97-E141 VanDerWaalsContact CB-CD 3.41Å; L97-E141 HydrophobicContact CB-CG 4.28Å; L97-E141 WeakPolarHBondContact CB-OE2 3.07Å; L97-E141 HydrophobicContact CD1-CB 4.33Å; L97-E141 HydrophobicContact CD2-CB 3.9Å; L97-E141 HydrophobicContact CD2-CG 3.68Å; L97-E141 HydrophobicContact CG-CB 4.4Å; L97-E141 HydrophobicContact CG-CG 4.48Å; E141-G144 WeakPolarHBondContact OE2-CA 3.37Å; E141-V145 CarbonylContact C-O 3.35Å; E141-V145 VanDerWaalsContact CA-O 3.25Å; E141-V145 WeakPolarHBondContact CA-O 3.38Å; E141-V145 WeakPolarHBondContact CB-O 3.12Å; E141-D147 PolarHBondContact N-OD1 2.71Å
142S94.3Very high93.5Very high70 Ų7040.7 Ų40.749%0.4921%0.206SC..EExtended strand (participates in β ladder)trans-119.2117.1164.2-175.70000108.7G144 V145 D147S142-G144 VanDerWaalsContact C-N 3.3Å; S142-G144 PolarHBondContact O-N 2.91Å; S142-V145 PolarHBondContact N-O 3.26Å; S142-V145 PolarHBondContact O-N 2.88Å; S142-D147 WeakPolarHBondContact CB-OD2 3.48Å; S142-D147 PolarHBondContact N-OD2 2.9Å
143R90.4Very high93.7Very high252 Ų25234 Ų3495%0.95118%0.175SC*.THydrogen-bonded Turntrans49.643177.1-57.5-174.9179.7-1680.5114.7
144G87.5Confident93.6Very high13 Ų1333.4 Ų33.413%0.13417%0.172CC..THydrogen-bonded Turntrans88.7-4.4177.600000115.1K96 E141 S142K96-G144 WeakPolarHBondContact CB-O 3.44Å; E141-G144 WeakPolarHBondContact OE2-CA 3.37Å; S142-G144 VanDerWaalsContact C-N 3.3Å; S142-G144 PolarHBondContact O-N 2.91Å
145V91.8Very high93.3Very high87 Ų8734.8 Ų34.853%0.52718%0.181SC..EExtended strand (participates in β ladder)trans-105.3121.8175.5-177.10000108.9E141 S142 D147E141-V145 CarbonylContact C-O 3.35Å; E141-V145 VanDerWaalsContact CA-O 3.25Å; E141-V145 WeakPolarHBondContact CA-O 3.38Å; E141-V145 WeakPolarHBondContact CB-O 3.12Å; S142-V145 PolarHBondContact N-O 3.26Å; S142-V145 PolarHBondContact O-N 2.88Å; V145-D147 PolarHBondContact O-N 3.07Å
146P94Very high92.8Very high7 Ų736.4 Ų36.45%0.04519%0.188CC..EExtended strand (participates in β ladder)trans-60.3127.2175.4-22.333.5000111.1L97 F100 V139 N140 L164 V167L97-P146 HydrophobicContact CD1-CB 4.44Å; L97-P146 HydrophobicContact CD1-CG 4.32Å; F100-P146 HydrophobicContact CB-CG 4.04Å; F100-P146 HydrophobicContact CD1-CB 3.77Å; F100-P146 HydrophobicContact CD1-CG 3.54Å; F100-P146 HydrophobicContact CD2-CG 4.32Å; F100-P146 HydrophobicContact CE1-CB 3.79Å; F100-P146 HydrophobicContact CE1-CG 4.01Å; F100-P146 HydrophobicContact CG-CB 4.4Å; F100-P146 HydrophobicContact CG-CG 3.7Å; F100-P146 HydrophobicContact CZ-CB 4.45Å; V139-P146 HydrophobicContact CG1-CB 4.28Å; N140-P146 WeakPolarHBondContact O-CA 3.4Å; P146-L164 HydrophobicContact CB-CD1 3.87Å; P146-V167 HydrophobicContact CB-CG1 4.49Å; P146-V167 HydrophobicContact CB-CG2 4.42Å; P146-V167 HydrophobicContact CG-CG1 4.19Å
147D94.7Very high92.4Very high53 Ų5336.4 Ų36.428%0.28319%0.189SC..EExtended strand (participates in β ladder)trans-120.5-29.5-171.565.7-0.1000113.7N140 E141 S142 V145 T163 L164N140-D147 WeakPolarHBondContact CB-OD1 3.38Å; N140-D147 PolarHBondContact O-N 2.94Å; N140-D147 VanDerWaalsContact O-N 3.09Å; E141-D147 PolarHBondContact N-OD1 2.71Å; S142-D147 WeakPolarHBondContact CB-OD2 3.48Å; S142-D147 PolarHBondContact N-OD2 2.9Å; V145-D147 PolarHBondContact O-N 3.07Å; D147-T163 CarbonylContact O-C 3.58Å; D147-T163 WeakPolarHBondContact O-CA 3.47Å; D147-L164 PolarHBondContact O-N 3.12Å
148T96Very high92.3Very high28 Ų2836.1 Ų36.117%0.17219%0.187CC..EExtended strand (participates in β ladder)trans-138.6131.9-172.2-420000109.3V139 N140 I150 I161 F162V139-T148 WeakPolarHBondContact CA-O 3.39Å; N140-T148 PolarHBondContact N-O 2.8Å; T148-I150 HydrophobicContact CG2-CG1 4.15Å; T148-I161 HydrophobicContact CG2-CG2 3.7Å; T148-F162 CarbonylContact C-O 3.56Å; T148-F162 WeakPolarHBondContact CA-O 3.22Å
149L95.5Very high92.2Very high9 Ų935.7 Ų35.75%0.04719%0.185CC..EExtended strand (participates in β ladder)trans-123.1119.7174.5-175.1133.7000108.7L104 I137 V139 I151 F162 L164L104-L149 HydrophobicContact CD1-CD1 4.08Å; I137-L149 HydrophobicContact CG2-CD1 4.15Å; I137-L149 HydrophobicContact CG2-CG 4.11Å; V139-L149 HydrophobicContact CG2-CD1 4.34Å; L149-I151 HydrophobicContact CD2-CD1 3.55Å; L149-I151 HydrophobicContact CD2-CG1 3.44Å; L149-I151 VanDerWaalsContact CD2-CG1 3.44Å; L149-F162 HydrophobicContact CD2-CD2 4.02Å; L149-F162 PolarHBondContact N-O 3.45Å; L149-F162 PolarHBondContact O-N 3.17Å; L149-L164 HydrophobicContact CB-CD1 3.99Å; L149-L164 HydrophobicContact CB-CD2 4.42Å; L149-L164 HydrophobicContact CB-CG 4.1Å
150I95.7Very high92.2Very high17 Ų1735.7 Ų35.79%0.08719%0.185CC..EExtended strand (participates in β ladder)trans-110.5125.6-179.1-50.7-178.8000107.7I137 I138 T148 T159 A160 I161 L267I137-I150 CarbonylContact C-O 3.54Å; I137-I150 VanDerWaalsContact CA-O 3.25Å; I137-I150 WeakPolarHBondContact CA-O 3.37Å; I138-I150 HydrophobicContact CB-CB 4.21Å; I138-I150 PolarHBondContact N-O 3.36Å; I138-I150 PolarHBondContact O-N 3.23Å; T148-I150 HydrophobicContact CG2-CG1 4.15Å; I150-T159 HydrophobicContact CG2-CG2 3.63Å; I150-A160 WeakPolarHBondContact CA-O 3.42Å; I150-I161 HydrophobicContact CD1-CG1 4.48Å; I150-I161 HydrophobicContact CG1-CG1 4.13Å; I150-I161 HydrophobicContact CG2-CG1 4.18Å; I150-L267 HydrophobicContact CD1-CD1 4.46Å; I150-L267 HydrophobicContact CG2-CD1 4.02Å
151I95.3Very high92.3Very high3 Ų334.5 Ų34.52%0.01518%0.178CC..EExtended strand (participates in β ladder)trans-116.1120177.6-50.6-177.8000107.2L149 T159 A160 F162 I207 L208 L211L149-I151 HydrophobicContact CD2-CD1 3.55Å; L149-I151 HydrophobicContact CD2-CG1 3.44Å; L149-I151 VanDerWaalsContact CD2-CG1 3.44Å; I151-T159 CarbonylContact O-C 3.52Å; I151-T159 VanDerWaalsContact O-CA 3.22Å; I151-T159 WeakPolarHBondContact O-CA 3.38Å; I151-T159 WeakPolarHBondContact O-CG2 3.41Å; I151-A160 PolarHBondContact N-O 2.87Å; I151-A160 PolarHBondContact O-N 3.22Å; I151-F162 HydrophobicContact CD1-CD2 4.12Å; I151-F162 HydrophobicContact CD1-CE2 3.68Å; I151-F162 HydrophobicContact CG1-CD2 4.28Å; I151-F162 HydrophobicContact CG1-CE2 4.09Å; I151-I207 HydrophobicContact CB-CG2 4.43Å; I151-I207 HydrophobicContact CG2-CG2 4.01Å; I151-L208 HydrophobicContact CD1-CD2 3.78Å; I151-L211 HydrophobicContact CD1-CD1 3.8Å; I151-L211 HydrophobicContact CG2-CD1 4.09Å; I151-L211 HydrophobicContact CG2-CD2 3.87Å; I151-L211 HydrophobicContact CG2-CG 4.45Å
152S93.7Very high92.4Very high2 Ų232.8 Ų32.81%0.01417%0.17CC..EExtended strand (participates in β ladder)trans-122.9119.2178.8-167.90000109.4D135 V136 T159 L267D135-S152 WeakPolarHBondContact CA-O 3.45Å; V136-S152 PolarHBondContact N-O 3.43Å; V136-S152 PolarHBondContact O-N 3.26Å; S152-T159 WeakPolarHBondContact CB-OG1 3.22Å; S152-T159 PolarHBondContact OG-OG1 2.71Å; S152-L267 PolarHBondContact OG-N 2.92Å
153H92.6Very high92.5Very high22 Ų2231 Ų3110%0.10216%0.156CC..EExtended strand (participates in β ladder)trans-86.2130.6175.8-175.167.7000110.4Y75 T134 D135 G157 P158Y75-H153 AromaticContact CD1-CE1 3.92Å; Y75-H153 AromaticContact CD1-NE2 3.91Å; Y75-H153 HydrophobicContact CE1-CB 4.25Å; Y75-H153 AromaticContact CE1-CD2 3.73Å; Y75-H153 AromaticContact CE1-CE1 3.6Å; Y75-H153 AromaticContact CE1-CG 3.57Å; Y75-H153 AromaticContact CE1-ND1 3.48Å; Y75-H153 WeakPolarHBondContact CE1-ND1 3.44Å; Y75-H153 AromaticContact CE1-NE2 3.77Å; Y75-H153 AromaticContact CZ-CG 3.81Å; Y75-H153 WeakPolarHBondContact OH-CB 3.49Å; T134-H153 PolarHBondContact O-ND1 3.1Å; D135-H153 WeakPolarHBondContact OD1-CA 3.45Å; D135-H153 WeakPolarHBondContact OD1-CB 3.4Å; D135-H153 IonicContact OD1-CE1 3.13Å; D135-H153 IonicContact OD1-CG 2.79Å; D135-H153 IonicContact OD1-ND1 3.76Å; D135-H153 PolarHBondContact OD1-ND1 3.33Å; D135-H153 IonicContact OD2-ND1 3.72Å; H153-G157 CarbonylContact O-C 3.51Å; H153-G157 WeakPolarHBondContact O-CA 3.34Å; H153-G157 PolarHBondContact O-N 3.34Å; H153-P158 PolarHBondContact N-O 2.89Å
154L89.5Confident92.7Very high6 Ų619.5 Ų19.53%0.03111%0.114CC..THydrogen-bonded Turntrans-106.9147.1-178.4-68.3179.1000109.9L125 C128 L129 T134 V136 P266L125-L154 HydrophobicContact CD2-CD1 4.39Å; L125-L154 HydrophobicContact CD2-CD2 4.04Å; C128-L154 HydrophobicContact CB-CD1 3.66Å; L129-L154 HydrophobicContact CD2-CB 4.12Å; L129-L154 HydrophobicContact CD2-CD1 4.36Å; L129-L154 HydrophobicContact CD2-CD2 4.15Å; L129-L154 HydrophobicContact CD2-CG 4.46Å; L129-L154 HydrophobicContact CG-CD1 4.36Å; L129-L154 HydrophobicContact CG-CD2 4.42Å; T134-L154 PolarHBondContact O-N 3.44Å; V136-L154 HydrophobicContact CG2-CD1 3.71Å; V136-L154 HydrophobicContact CG2-CG 4.47Å; L154-P266 HydrophobicContact CD2-CB 4.23Å
155P84.4Confident93Very high62 Ų6224 Ų2440%0.40313%0.127SC..THydrogen-bonded Turncis-88.3-27.710.130.9-34.7000116.2L129L129-P155 HydrophobicContact CD2-CB 3.58Å
156F84.3Confident93Very high35 Ų3525.4 Ų25.415%0.15413%0.132CC..THydrogen-bonded Turntrans-13122.2-175.2-49.2-59.9000112.8Q5 L8 R9 F12Q5-F156 HydrophobicContact CB-CZ 4.19Å; Q5-F156 WeakPolarHBondContact O-CZ 3.45Å; L8-F156 HydrophobicContact CB-CE2 3.62Å; L8-F156 HydrophobicContact CB-CZ 4.02Å; R9-F156 HydrophobicContact CB-CD1 3.77Å; R9-F156 HydrophobicContact CB-CE1 3.53Å; R9-F156 HydrophobicContact CB-CE2 4.42Å; R9-F156 HydrophobicContact CB-CG 4.34Å; R9-F156 HydrophobicContact CB-CZ 3.89Å; R9-F156 HydrophobicContact CG-CD1 3.77Å; R9-F156 HydrophobicContact CG-CE1 4.02Å; R9-F156 HydrophobicContact CG-CG 4.35Å; F12-F156 HydrophobicContact CD1-CB 4.25Å
157G86.4Confident92.9Very high1 Ų126.4 Ų26.41%0.0114%0.138CC..  trans-74.3175.9-175.200000114.2H153 G265H153-G157 CarbonylContact O-C 3.51Å; H153-G157 WeakPolarHBondContact O-CA 3.34Å; H153-G157 PolarHBondContact O-N 3.34Å; G157-G265 CarbonylContact O-C 3.59Å; G157-G265 WeakPolarHBondContact O-CA 3.44Å; G157-G265 PolarHBondContact O-N 3.04Å; G157-G265 VanDerWaalsContact O-N 3.17Å
158P91.8Very high92.6Very high0 Ų030.3 Ų30.30%015%0.149CC..EExtended strand (participates in β ladder)trans-66.8151.4174.929.4-35.7000111.2Y75 H153 I207 I262 W263Y75-P158 HydrophobicContact CE2-CG 4.09Å; H153-P158 PolarHBondContact N-O 2.89Å; P158-I207 HydrophobicContact CB-CD1 4.15Å; P158-I207 HydrophobicContact CG-CD1 3.9Å; P158-I207 HydrophobicContact CG-CG1 3.93Å; P158-I262 HydrophobicContact CB-CG2 4.28Å; P158-W263 CarbonylContact C-O 3.6Å; P158-W263 WeakPolarHBondContact CA-O 3.48Å
159T94.3Very high92.1Very high0 Ų029.6 Ų29.60%014%0.144CC..EExtended strand (participates in β ladder)trans-114.5123.2165.2-57.40000109.1I150 I151 S152 I262 W263 G265 L267I150-T159 HydrophobicContact CG2-CG2 3.63Å; I151-T159 CarbonylContact O-C 3.52Å; I151-T159 VanDerWaalsContact O-CA 3.22Å; I151-T159 WeakPolarHBondContact O-CA 3.38Å; I151-T159 WeakPolarHBondContact O-CG2 3.41Å; S152-T159 WeakPolarHBondContact CB-OG1 3.22Å; S152-T159 PolarHBondContact OG-OG1 2.71Å; T159-I262 WeakPolarHBondContact O-CA 3.47Å; T159-W263 VanDerWaalsContact CB-CE2 3.48Å; T159-W263 HydrophobicContact CG2-CH2 3.48Å; T159-W263 VanDerWaalsContact CG2-CH2 3.48Å; T159-W263 HydrophobicContact CG2-CZ2 3.3Å; T159-W263 HydrophobicContact CG2-CZ3 4.18Å; T159-W263 PolarHBondContact N-O 2.89Å; T159-W263 PolarHBondContact O-N 2.92Å; T159-W263 VanDerWaalsContact O-N 3.1Å; T159-G265 PolarHBondContact OG1-O 2.67Å; T159-L267 HydrophobicContact CG2-CD1 4.41Å
160A95.4Very high91.5Very high0 Ų031.2 Ų31.20%015%0.15CC..EExtended strand (participates in β ladder)trans-110.1129.217700000110.2I150 I151 F162 I207 L259 K261 I262I150-A160 WeakPolarHBondContact CA-O 3.42Å; I151-A160 PolarHBondContact N-O 2.87Å; I151-A160 PolarHBondContact O-N 3.22Å; A160-F162 HydrophobicContact CB-CD2 4.36Å; A160-F162 HydrophobicContact CB-CE2 3.52Å; A160-F162 HydrophobicContact CB-CZ 3.81Å; A160-I207 HydrophobicContact CB-CD1 4.11Å; A160-L259 HydrophobicContact CB-CD1 4.21Å; A160-K261 WeakPolarHBondContact CA-O 3.35Å; A160-I262 HydrophobicContact CB-CG1 4.16Å
161I96.2Very high90.8Very high21 Ų2134.4 Ų34.411%0.10816%0.164CC..EExtended strand (participates in β ladder)trans-102.5125170.7-62.2177.6000108.4T148 I150 Y260 K261 W263T148-I161 HydrophobicContact CG2-CG2 3.7Å; I150-I161 HydrophobicContact CD1-CG1 4.48Å; I150-I161 HydrophobicContact CG1-CG1 4.13Å; I150-I161 HydrophobicContact CG2-CG1 4.18Å; I161-Y260 HydrophobicContact CG2-CD1 4.49Å; I161-Y260 PolarHBondContact O-N 3.09Å; I161-K261 PolarHBondContact N-O 3.43Å; I161-K261 PolarHBondContact O-N 3.38Å; I161-W263 HydrophobicContact CD1-CH2 3.55Å; I161-W263 HydrophobicContact CD1-CZ3 3.41Å; I161-W263 VanDerWaalsContact CD1-CZ3 3.41Å; I161-W263 HydrophobicContact CG1-CH2 3.71Å; I161-W263 HydrophobicContact CG1-CZ3 3.55Å
162F96.7Very high90.1Very high0 Ų037.9 Ų37.90%018%0.183CC..EExtended strand (participates in β ladder)trans-112.5139.8171.6-57.5-86.2000110T148 L149 I151 A160 V204 L208 L257 R258 L259T148-F162 CarbonylContact C-O 3.56Å; T148-F162 WeakPolarHBondContact CA-O 3.22Å; L149-F162 HydrophobicContact CD2-CD2 4.02Å; L149-F162 PolarHBondContact N-O 3.45Å; L149-F162 PolarHBondContact O-N 3.17Å; I151-F162 HydrophobicContact CD1-CD2 4.12Å; I151-F162 HydrophobicContact CD1-CE2 3.68Å; I151-F162 HydrophobicContact CG1-CD2 4.28Å; I151-F162 HydrophobicContact CG1-CE2 4.09Å; A160-F162 HydrophobicContact CB-CD2 4.36Å; A160-F162 HydrophobicContact CB-CE2 3.52Å; A160-F162 HydrophobicContact CB-CZ 3.81Å; F162-V204 HydrophobicContact CE1-CG1 4.02Å; F162-V204 HydrophobicContact CZ-CG1 4.09Å; F162-L208 HydrophobicContact CZ-CD2 4.44Å; F162-L257 HydrophobicContact CB-CB 4.37Å; F162-L257 HydrophobicContact CB-CD2 3.68Å; F162-L257 HydrophobicContact CD1-CB 4.17Å; F162-L257 HydrophobicContact CG-CD2 4.18Å; F162-R258 CarbonylContact C-O 3.6Å; F162-R258 VanDerWaalsContact CA-O 3.26Å; F162-R258 WeakPolarHBondContact CA-O 3.47Å; F162-L259 HydrophobicContact CD1-CB 4.18Å; F162-L259 HydrophobicContact CD1-CD1 3.88Å; F162-L259 HydrophobicContact CE1-CB 4.11Å; F162-L259 HydrophobicContact CE1-CD1 3.43Å; F162-L259 VanDerWaalsContact CE1-CD1 3.43Å; F162-L259 HydrophobicContact CE1-CG 4.38Å; F162-L259 HydrophobicContact CZ-CD1 3.81Å
163T96.1Very high89.3Confident33 Ų3338 Ų3820%0.20218%0.183CC..EExtended strand (participates in β ladder)trans-90.4135.1162.657.10000109D147 Y165 L257 R258D147-T163 CarbonylContact O-C 3.58Å; D147-T163 WeakPolarHBondContact O-CA 3.47Å; T163-Y165 VanDerWaalsContact OG1-CE2 3.24Å; T163-Y165 WeakPolarHBondContact OG1-CE2 3.28Å; T163-Y165 PolarHBondContact OG1-OH 2.99Å; T163-L257 CarbonylContact O-C 3.56Å; T163-L257 WeakPolarHBondContact O-CA 3.31Å; T163-R258 PolarHBondContact N-O 3.02Å; T163-R258 PolarHBondContact O-N 3.16Å; T163-R258 PolarHBondContact OG1-O 3.4Å
164L95.1Very high88.5Confident10 Ų1039.9 Ų39.95%0.05219%0.192CC..EExtended strand (participates in β ladder)trans-94.6135.7179.6-71.8167.4000109.8F100 P146 D147 L149 V167 F255 D256 L257F100-L164 HydrophobicContact CE1-CD1 4.15Å; F100-L164 HydrophobicContact CZ-CD1 4.38Å; P146-L164 HydrophobicContact CB-CD1 3.87Å; D147-L164 PolarHBondContact O-N 3.12Å; L149-L164 HydrophobicContact CB-CD1 3.99Å; L149-L164 HydrophobicContact CB-CD2 4.42Å; L149-L164 HydrophobicContact CB-CG 4.1Å; L164-V167 HydrophobicContact CB-CG2 3.77Å; L164-V167 HydrophobicContact CD1-CG2 4.46Å; L164-V167 HydrophobicContact CD2-CG2 4.46Å; L164-V167 HydrophobicContact CG-CG2 4.49Å; L164-F255 HydrophobicContact CD2-CB 4.14Å; L164-F255 HydrophobicContact CD2-CD2 3.49Å; L164-F255 VanDerWaalsContact CD2-CD2 3.49Å; L164-F255 HydrophobicContact CD2-CE2 4.11Å; L164-F255 HydrophobicContact CD2-CG 3.94Å; L164-D256 CarbonylContact C-O 3.6Å; L164-D256 WeakPolarHBondContact CA-O 3.24Å; L164-L257 HydrophobicContact CD2-CD2 3.3Å; L164-L257 HydrophobicContact CD2-CG 4.35Å; L164-L257 HydrophobicContact CG-CD2 4.18Å
165Y93.1Very high87.8Confident108 Ų10845.5 Ų45.542%0.42423%0.227SC..EExtended strand (participates in β ladder)trans-128.9159.5171.5-57.8-79.1000109.8T163 V167 D256 R258T163-Y165 VanDerWaalsContact OG1-CE2 3.24Å; T163-Y165 WeakPolarHBondContact OG1-CE2 3.28Å; T163-Y165 PolarHBondContact OG1-OH 2.99Å; Y165-V167 PolarHBondContact O-N 2.97Å; Y165-D256 PolarHBondContact N-O 3.26Å; Y165-D256 PolarHBondContact O-N 3.12Å; Y165-R258 HydrophobicContact CD2-CB 4.32Å; Y165-R258 HydrophobicContact CE2-CB 3.7Å
166N91.7Very high86.9Confident117 Ų11747.8 Ų47.863%0.62623%0.234SC*.EExtended strand (participates in β ladder)trans49.236.6174-60.4-30.7000114.5R168 D256N166-R168 PolarHBondContact O-N 2.77Å; N166-R168 VanDerWaalsContact O-N 3.09Å; N166-D256 WeakPolarHBondContact CB-OD2 3.28Å; N166-D256 PolarHBondContact ND2-OD2 3.4Å
167V92Very high85.9Confident27 Ų2749.3 Ų49.316%0.16426%0.259CS..EExtended strand (participates in β ladder)trans-67.9112.6-177.9-172.40000109.6F100 P146 L164 Y165 F255F100-V167 HydrophobicContact CD2-CG1 3.91Å; F100-V167 HydrophobicContact CE2-CG1 3.47Å; F100-V167 VanDerWaalsContact CE2-CG1 3.47Å; F100-V167 HydrophobicContact CZ-CG1 3.94Å; P146-V167 HydrophobicContact CB-CG1 4.49Å; P146-V167 HydrophobicContact CB-CG2 4.42Å; P146-V167 HydrophobicContact CG-CG1 4.19Å; L164-V167 HydrophobicContact CB-CG2 3.77Å; L164-V167 HydrophobicContact CD1-CG2 4.46Å; L164-V167 HydrophobicContact CD2-CG2 4.46Å; L164-V167 HydrophobicContact CG-CG2 4.49Å; Y165-V167 PolarHBondContact O-N 2.97Å; V167-F255 HydrophobicContact CB-CB 4.36Å; V167-F255 HydrophobicContact CG1-CB 4.37Å; V167-F255 HydrophobicContact CG2-CB 3.96Å
168R88.2Confident84.7Confident135 Ų13553 Ų5351%0.50928%0.284SS..EExtended strand (participates in β ladder)trans-105112.5169.9-64.2-178.1-178.6-173.9-0.3107.9N166 M173 S254N166-R168 PolarHBondContact O-N 2.77Å; N166-R168 VanDerWaalsContact O-N 3.09Å; R168-M173 HydrophobicContact CB-CG 4.15Å; R168-S254 PolarHBondContact N-O 3.23Å; R168-S254 PolarHBondContact O-N 3.31Å; R168-S254 VanDerWaalsContact O-N 3.12Å
169T85.6Confident83.2Confident13 Ų1353.7 Ų53.78%0.0829%0.29CS..  trans-71156.9173.670.50000109.4F100 E103 H171 D172 M173F100-T169 HydrophobicContact CD2-CG2 4.37Å; E103-T169 WeakPolarHBondContact OE2-CA 3.42Å; T169-H171 PolarHBondContact O-N 3.43Å; T169-D172 PolarHBondContact O-N 3.14Å; T169-D172 PolarHBondContact OG1-N 3.11Å; T169-D172 PolarHBondContact OG1-OD2 3.08Å; T169-M173 WeakPolarHBondContact O-CG 3.37Å; T169-M173 PolarHBondContact O-N 3.33Å
170R82.8Confident81.5Confident44 Ų4457.2 Ų57.217%0.16631%0.312CS..Hα-helixtrans-60.3-39.7176.3177.5-177.5156.4-175.5-2.9111.1E103 D172 M173 E174 G181 A182E103-R170 HydrophobicContact CG-CB 4.22Å; E103-R170 VanDerWaalsContact OE1-CB 3.29Å; E103-R170 WeakPolarHBondContact OE1-CB 3.44Å; E103-R170 PolarHBondContact OE1-N 2.81Å; E103-R170 PolarHBondContact OE2-N 3.06Å; R170-D172 VanDerWaalsContact C-N 3.3Å; R170-D172 PolarHBondContact O-N 3.37Å; R170-M173 PolarHBondContact O-N 3.32Å; R170-M173 VanDerWaalsContact O-N 3.16Å; R170-E174 HydrophobicContact CG-CG 4.45Å; R170-E174 IonicContact CZ-OE1 3.69Å; R170-E174 IonicContact NE-OE1 3.59Å; R170-E174 PolarHBondContact NE-OE1 3.19Å; R170-E174 IonicContact NH2-OE1 3.11Å; R170-E174 PolarHBondContact NH2-OE1 3.13Å; R170-E174 VanDerWaalsContact NH2-OE1 3.09Å; R170-E174 WeakPolarHBondContact O-CG 3.29Å; R170-E174 PolarHBondContact O-N 3.33Å; R170-G181 PolarHBondContact NH2-O 2.66Å; R170-A182 PolarHBondContact NH2-O 3.43Å
171H80.8Confident79.9Confident83 Ų8359.3 Ų59.338%0.38433%0.333SS..Hα-helixtrans-62-37.7177.7-66-57.2000112.5E103 T169 E174 T175E103-H171 IonicContact OE1-CD2 2.77Å; E103-H171 PolarHBondContact OE1-CD2 3.16Å; T169-H171 PolarHBondContact O-N 3.43Å; H171-E174 IonicContact ND1-OE2 3.49Å; H171-T175 PolarHBondContact O-N 3.18Å; H171-T175 PolarHBondContact O-OG1 3.14Å
172D82.3Confident78.5Confident77 Ų7760.5 Ų60.541%0.41235%0.346SS..Hα-helixtrans-68.3-39.2173.7-61-37.2000111.6T169 R170 T175 M176T169-D172 PolarHBondContact O-N 3.14Å; T169-D172 PolarHBondContact OG1-N 3.11Å; T169-D172 PolarHBondContact OG1-OD2 3.08Å; R170-D172 VanDerWaalsContact C-N 3.3Å; R170-D172 PolarHBondContact O-N 3.37Å; D172-T175 WeakPolarHBondContact O-CB 3.39Å; D172-T175 PolarHBondContact O-N 3.39Å; D172-M176 PolarHBondContact O-N 3.05Å; D172-M176 VanDerWaalsContact O-N 3.08Å
173M75.2Confident77.5Confident4 Ų469.7 Ų69.72%0.0239%0.387CS..Hα-helixtrans-66.3-36.7177.5-71.8-169.47500113.4R168 T169 R170 T175 M176 G177 C178 G179 E250R168-M173 HydrophobicContact CB-CG 4.15Å; T169-M173 WeakPolarHBondContact O-CG 3.37Å; T169-M173 PolarHBondContact O-N 3.33Å; R170-M173 PolarHBondContact O-N 3.32Å; R170-M173 VanDerWaalsContact O-N 3.16Å; M173-T175 VanDerWaalsContact C-N 3.32Å; M173-M176 PolarHBondContact O-N 3Å; M173-G177 PolarHBondContact O-N 3.07Å; M173-C178 HydrophobicContact CE-CB 4.27Å; M173-C178 PolarHBondContact O-N 3.5Å; M173-G179 PolarHBondContact O-N 2.95Å; M173-E250 HydrophobicContact CE-CB 4.35Å; M173-E250 HydrophobicContact CE-CG 3.79Å; M173-E250 WeakPolarHBondContact CE-OE1 3.4Å; M173-E250 VanDerWaalsContact CE-OE2 3.3Å; M173-E250 WeakPolarHBondContact CE-OE2 3.41Å
174E76.9Confident76.7Confident61 Ų6168.8 Ų68.829%0.28538%0.38SS..Hα-helixtrans-62.3-42.3173.2-72.2173.6-179.100110.4R170 H171 M176 G177 G181R170-E174 HydrophobicContact CG-CG 4.45Å; R170-E174 IonicContact CZ-OE1 3.69Å; R170-E174 IonicContact NE-OE1 3.59Å; R170-E174 PolarHBondContact NE-OE1 3.19Å; R170-E174 IonicContact NH2-OE1 3.11Å; R170-E174 PolarHBondContact NH2-OE1 3.13Å; R170-E174 VanDerWaalsContact NH2-OE1 3.09Å; R170-E174 WeakPolarHBondContact O-CG 3.29Å; R170-E174 PolarHBondContact O-N 3.33Å; H171-E174 IonicContact ND1-OE2 3.49Å; E174-M176 VanDerWaalsContact C-N 3.31Å; E174-M176 PolarHBondContact O-N 3.33Å; E174-G177 PolarHBondContact O-N 3Å; E174-G177 VanDerWaalsContact O-N 3.12Å; E174-G181 WeakPolarHBondContact OE1-CA 3.34Å
175T73.9Confident76.2Confident125 Ų12569.8 Ų69.877%0.76739%0.387SS*.Hα-helixtrans-64.4-34.9177.7-53.80000112.3H171 D172 M173 G177H171-T175 PolarHBondContact O-N 3.18Å; H171-T175 PolarHBondContact O-OG1 3.14Å; D172-T175 WeakPolarHBondContact O-CB 3.39Å; D172-T175 PolarHBondContact O-N 3.39Å; M173-T175 VanDerWaalsContact C-N 3.32Å; T175-G177 VanDerWaalsContact C-N 3.29Å; T175-G177 PolarHBondContact O-N 3.46Å
176M65.3Low75.8Confident110 Ų11070.5 Ų70.554%0.54239%0.394SS..THydrogen-bonded Turntrans-80.8-3176.2-67.9-156.3-67.800114.2D172 M173 E174 C178D172-M176 PolarHBondContact O-N 3.05Å; D172-M176 VanDerWaalsContact O-N 3.08Å; M173-M176 PolarHBondContact O-N 3Å; E174-M176 VanDerWaalsContact C-N 3.31Å; E174-M176 PolarHBondContact O-N 3.33Å; M176-C178 PolarHBondContact O-N 3.32Å
177G63.4Low75.8Confident66 Ų6669 Ų6968%0.6839%0.389SS*.THydrogen-bonded Turntrans72.63.2-178.500000115M173 E174 T175M173-G177 PolarHBondContact O-N 3.07Å; E174-G177 PolarHBondContact O-N 3Å; E174-G177 VanDerWaalsContact O-N 3.12Å; T175-G177 VanDerWaalsContact C-N 3.29Å; T175-G177 PolarHBondContact O-N 3.46Å
178C61Low75.8Confident79 Ų7970.7 Ų70.753%0.53439%0.393SS..  trans-83.3-23.8175.5-60.50000112.3M173 M176M173-C178 HydrophobicContact CE-CB 4.27Å; M173-C178 PolarHBondContact O-N 3.5Å; M176-C178 PolarHBondContact O-N 3.32Å
179G60.7Low76Confident14 Ų1464.2 Ų64.214%0.14437%0.369CS..SBendtrans-92.8137.5177.300000112.1M173 G181M173-G179 PolarHBondContact O-N 2.95Å; G179-G181 PolarHBondContact O-N 3.36Å
180T59.4Low76.3Confident75 Ų7565.6 Ų65.646%0.4638%0.376SS..  trans-64.9-7.8-179.146.10000115A182 T249 H251T180-A182 PolarHBondContact O-N 3.17Å; T180-T249 HydrophobicContact CG2-CG2 4.37Å; T180-H251 PolarHBondContact OG1-ND1 3.31Å
181G62.3Low76.7Confident43 Ų4365.7 Ų65.744%0.44338%0.378SS..  trans65.8-12.7-169.700000114.2R170 E174 G179R170-G181 PolarHBondContact NH2-O 2.66Å; E174-G181 WeakPolarHBondContact OE1-CA 3.34Å; G179-G181 PolarHBondContact O-N 3.36Å
182A65.5Low77.3Confident46 Ų4666 Ų6638%0.3838%0.382SS..PPolyproline II helixtrans-69.2149.2-172.400000111.2R170 T180 M184R170-A182 PolarHBondContact NH2-O 3.43Å; T180-A182 PolarHBondContact O-N 3.17Å; A182-M184 PolarHBondContact O-N 2.91Å
183K75.2Confident77.8Confident194 Ų19463.9 Ų63.984%0.84337%0.369SS*.PPolyproline II helixtrans-55.3128.3173.5-69.7179.7-179.1175.10109.2
184M81.2Confident78.6Confident13 Ų1370.9 Ų70.96%0.06440%0.399CS..PPolyproline II helixtrans-58.4129.3179.2-166.5179.4-167.700110F106 L107 A182 Q186 H236 G252F106-M184 VanDerWaalsContact C-SD 3.59Å; F106-M184 HydrophobicContact CB-CB 4.34Å; F106-M184 HydrophobicContact CB-CG 4.43Å; F106-M184 HydrophobicContact CB-SD 3.42Å; F106-M184 WeakPolarHBondContact CB-SD 3.41Å; L107-M184 HydrophobicContact CB-CE 3.75Å; L107-M184 HydrophobicContact CD1-CE 4.46Å; L107-M184 HydrophobicContact CG-CE 4.11Å; A182-M184 PolarHBondContact O-N 2.91Å; M184-Q186 PolarHBondContact O-N 3.49Å; M184-H236 WeakPolarHBondContact CE-CE1 3.14Å; M184-H236 WeakPolarHBondContact CE-ND1 3.42Å; M184-G252 WeakPolarHBondContact CE-O 3.47Å
185P83.7Confident79.1Confident31 Ų3169 Ų6920%0.20140%0.396CS..PPolyproline II helixtrans-65132.9176.826.6-33.4000109.9R221P185-R221 HydrophobicContact CG-CG 4.1Å; P185-R221 PolarHBondContact O-NE 3.03Å; P185-R221 PolarHBondContact O-NH1 2.58Å
186Q84.3Confident79.8Confident124 Ų12463.1 Ų63.158%0.57936%0.36SS*.  trans-99.44.8178.9-66-178.74.100113F106 M184F106-Q186 VanDerWaalsContact CD1-NE2 3.34Å; M184-Q186 PolarHBondContact O-N 3.49Å
187T90.9Very high80.8Confident84 Ų8462.2 Ų62.252%0.51536%0.357SS..SBendtrans-57.8151.7172.2-47.20000110.2P189 R221T187-P189 WeakPolarHBondContact O-CD 3.32Å; T187-R221 WeakPolarHBondContact O-CD 3.3Å; T187-R221 PolarHBondContact O-NH1 2.9Å
188Y92.6Very high82.1Confident63 Ų6359.3 Ų59.325%0.24733%0.327CS..PPolyproline II helixtrans-64.1119.5178.4-62.7-6.8000109.8D82 P109 N110 P213 V214 S219D82-Y188 PolarHBondContact OD2-OH 2.86Å; P109-Y188 HydrophobicContact CB-CD1 3.63Å; P109-Y188 HydrophobicContact CB-CE1 3.78Å; P109-Y188 HydrophobicContact CG-CD1 3.74Å; P109-Y188 HydrophobicContact CG-CE1 4.21Å; N110-Y188 PolarHBondContact ND2-OH 2.76Å; Y188-P213 HydrophobicContact CD1-CB 4.5Å; Y188-P213 HydrophobicContact CD1-CG 3.54Å; Y188-P213 HydrophobicContact CD2-CB 3.93Å; Y188-P213 HydrophobicContact CD2-CG 3.75Å; Y188-P213 HydrophobicContact CE1-CB 4.37Å; Y188-P213 HydrophobicContact CE1-CG 3.64Å; Y188-P213 HydrophobicContact CE2-CB 3.74Å; Y188-P213 HydrophobicContact CE2-CG 3.82Å; Y188-P213 HydrophobicContact CG-CB 4.29Å; Y188-P213 HydrophobicContact CG-CG 3.59Å; Y188-V214 WeakPolarHBondContact CD2-O 3.49Å; Y188-S219 WeakPolarHBondContact O-CB 3Å; Y188-S219 PolarHBondContact O-OG 2.86Å
189P92.3Very high83.4Confident0 Ų060 Ų600%033%0.325CS..PPolyproline II helixtrans-78.5143.6-172.530.4-32.8000111.9T187 F212 P215 R221 V223T187-P189 WeakPolarHBondContact O-CD 3.32Å; P189-F212 HydrophobicContact CG-CD1 3.51Å; P189-F212 HydrophobicContact CG-CE1 3.9Å; P189-F212 HydrophobicContact CG-CG 4.39Å; P189-P215 WeakPolarHBondContact O-CB 3.31Å; P189-R221 CarbonylContact C-O 3.54Å; P189-R221 WeakPolarHBondContact CA-O 3.39Å; P189-R221 HydrophobicContact CB-CG 4Å; P189-V223 HydrophobicContact CB-CB 4.22Å; P189-V223 HydrophobicContact CB-CG2 3.64Å; P189-V223 HydrophobicContact CG-CG2 4.01Å
190N92.5Very high84.9Confident42 Ų4260.6 Ų60.623%0.22533%0.325CS..EExtended strand (participates in β ladder)trans-72.3143.9162.6-77.2-39.4000110.2P215 S219 R221 V222 V223N190-P215 VanDerWaalsContact OD1-CB 3.31Å; N190-P215 WeakPolarHBondContact OD1-CB 3.36Å; N190-P215 WeakPolarHBondContact OD1-CG 3.41Å; N190-S219 PolarHBondContact ND2-O 3.39Å; N190-R221 PolarHBondContact N-O 3.3Å; N190-V222 HydrophobicContact CB-CG2 4.22Å; N190-V222 CarbonylContact O-C 3.59Å; N190-V222 WeakPolarHBondContact O-CA 3.42Å; N190-V223 PolarHBondContact O-N 2.77Å
191H91.2Very high86.4Confident45 Ų4557 Ų5721%0.20830%0.303CS..EExtended strand (participates in β ladder)trans-106131.3-179.8-67.4-66.9000111.7F193 F212 V223 W225H191-F193 HydrophobicContact CB-CD2 4.23Å; H191-F193 HydrophobicContact CB-CE2 3.73Å; H191-F212 AromaticContact CE1-CD1 3.71Å; H191-F212 AromaticContact CE1-CD2 3.21Å; H191-F212 WeakPolarHBondContact CE1-CD2 3.38Å; H191-F212 AromaticContact CE1-CE2 3.66Å; H191-F212 AromaticContact CE1-CG 3.23Å; H191-F212 WeakPolarHBondContact CE1-CG 3.42Å; H191-F212 WeakPolarHBondContact NE2-CB 3.28Å; H191-F212 AromaticContact NE2-CD1 3.98Å; H191-F212 AromaticContact NE2-CD2 3.6Å; H191-F212 AromaticContact NE2-CG 3.31Å; H191-F212 VanDerWaalsContact NE2-CG 3.31Å; H191-F212 WeakPolarHBondContact NE2-CG 3.25Å; H191-V223 WeakPolarHBondContact CA-O 3.43Å; H191-W225 AromaticContact ND1-NE1 3.95Å
192I93.5Very high87.7Confident90 Ų9058.6 Ų58.646%0.46230%0.299SS..EExtended strand (participates in β ladder)trans-116.6123.2168.1-58.7-179.2000107.2V222 V223 T224 W225I192-V222 HydrophobicContact CD1-CG1 3.53Å; I192-V222 HydrophobicContact CG1-CG1 3.78Å; I192-V223 PolarHBondContact N-O 2.78Å; I192-T224 HydrophobicContact CB-CG2 4.13Å; I192-T224 HydrophobicContact CD1-CG2 4.16Å; I192-T224 HydrophobicContact CG1-CG2 4.49Å; I192-W225 PolarHBondContact O-N 3.2Å
193F93.1Very high88.8Confident32 Ų3256.5 Ų56.514%0.1428%0.281CS..EExtended strand (participates in β ladder)trans-113120171.3-67.6-84.5000107.9H191 L196 R205 L208 K209 W225H191-F193 HydrophobicContact CB-CD2 4.23Å; H191-F193 HydrophobicContact CB-CE2 3.73Å; F193-L196 HydrophobicContact CD1-CD1 3.86Å; F193-L196 HydrophobicContact CE1-CD1 4.48Å; F193-R205 HydrophobicContact CD1-CB 4.42Å; F193-R205 HydrophobicContact CD1-CG 3.81Å; F193-R205 HydrophobicContact CD2-CG 3.98Å; F193-R205 HydrophobicContact CE1-CB 4.42Å; F193-R205 HydrophobicContact CE1-CG 3.87Å; F193-R205 HydrophobicContact CE2-CG 4.04Å; F193-R205 HydrophobicContact CG-CG 3.85Å; F193-R205 HydrophobicContact CZ-CG 3.98Å; F193-L208 HydrophobicContact CE1-CB 4.37Å; F193-K209 HydrophobicContact CE2-CB 4.19Å; F193-K209 HydrophobicContact CZ-CB 4.05Å; F193-W225 CarbonylContact C-O 3.58Å; F193-W225 VanDerWaalsContact CA-O 3.31Å; F193-W225 WeakPolarHBondContact CA-O 3.11Å; F193-W225 HydrophobicContact CD1-CB 3.63Å; F193-W225 AromaticContact CD1-CD1 3.74Å; F193-W225 AromaticContact CD1-CG 3.89Å; F193-W225 HydrophobicContact CD1-CG 3.89Å; F193-W225 HydrophobicContact CE1-CB 3.88Å; F193-W225 AromaticContact CE1-CD1 3.26Å; F193-W225 HydrophobicContact CE1-CD2 4.42Å; F193-W225 AromaticContact CE1-CG 3.61Å; F193-W225 HydrophobicContact CE1-CG 3.61Å; F193-W225 AromaticContact CE1-NE1 3.88Å; F193-W225 AromaticContact CZ-CD1 3.59Å; F193-W225 HydrophobicContact CZ-CG 4.37Å; F193-W225 AromaticContact CZ-NE1 3.93Å
194K92.2Very high89.7Confident152 Ų15247.2 Ų47.266%0.66124%0.241SC*.EExtended strand (participates in β ladder)trans-113.3121.2173.6-176.6-172.8176.9-168.80108.4W225 Y226 E227K194-W225 PolarHBondContact N-O 2.99Å; K194-Y226 WeakPolarHBondContact O-CA 3.32Å; K194-E227 PolarHBondContact O-N 3.14Å
195G87.5Confident90.2Very high22 Ų2251.5 Ų51.523%0.22726%0.256CS..SBendtrans85.4-152.3-168.200000111.5N197G195-N197 PolarHBondContact O-OD1 2.8Å
196L87.3Confident90.5Very high1 Ų151.1 Ų51.11%0.00525%0.254CS..  trans60.739.7-177.9-54179.1000114.1F193 G201 Q202 R205 E227 I232 L292F193-L196 HydrophobicContact CD1-CD1 3.86Å; F193-L196 HydrophobicContact CE1-CD1 4.48Å; L196-G201 CarbonylContact O-C 3.56Å; L196-Q202 PolarHBondContact O-N 2.87Å; L196-R205 HydrophobicContact CD1-CB 4.19Å; L196-E227 HydrophobicContact CD2-CB 4.08Å; L196-E227 HydrophobicContact CD2-CG 4.28Å; L196-E227 HydrophobicContact CG-CB 4.38Å; L196-I232 HydrophobicContact CD2-CD1 3.96Å; L196-I232 HydrophobicContact CD2-CG1 4.1Å; L196-L292 CarbonylContact C-O 3.51Å; L196-L292 VanDerWaalsContact CA-O 3.28Å; L196-L292 WeakPolarHBondContact CA-O 3.27Å; L196-L292 HydrophobicContact CD2-CB 3.89Å; L196-L292 HydrophobicContact CD2-CD1 4.04Å; L196-L292 HydrophobicContact CD2-CD2 4.26Å; L196-L292 HydrophobicContact CD2-CG 4.3Å
197N87.4Confident90.9Very high90 Ų9045.2 Ų45.248%0.48123%0.226SC..  trans-86.7-23-175.3-67.2-19.3000113.5G195 Q202 L292G195-N197 PolarHBondContact O-OD1 2.8Å; N197-Q202 PolarHBondContact O-NE2 3.13Å; N197-Q202 VanDerWaalsContact O-NE2 3.1Å; N197-L292 PolarHBondContact N-O 2.54Å
198S90.3Very high91Very high6 Ų641.3 Ų41.34%0.04220%0.202CC..SBendtrans-64.9163.1179.180.30000111L200 G201 Q202 F291 L292S198-L200 PolarHBondContact O-N 3.43Å; S198-L200 PolarHBondContact OG-N 2.89Å; S198-G201 CarbonylContact O-C 3.5Å; S198-G201 WeakPolarHBondContact O-CA 3.42Å; S198-G201 PolarHBondContact O-N 3.41Å; S198-G201 PolarHBondContact OG-N 3.23Å; S198-Q202 WeakPolarHBondContact O-CG 3.45Å; S198-Q202 PolarHBondContact O-N 2.85Å; S198-F291 WeakPolarHBondContact CB-O 3.44Å; S198-F291 PolarHBondContact OG-O 3.34Å; S198-L292 WeakPolarHBondContact CB-O 3.42Å; S198-L292 PolarHBondContact N-O 2.97Å; S198-L292 PolarHBondContact OG-O 3.1Å; S198-L292 VanDerWaalsContact OG-O 3.1Å
199N88.8Confident90.9Very high94 Ų9443.2 Ų43.250%0.50321%0.212SC..Hα-helixtrans-55.2-40.1175.6-67.5-27.3000112.2R203N199-R203 PolarHBondContact O-N 3.49Å
200L90.9Very high90.9Very high25 Ų2545.1 Ų45.113%0.13122%0.221CC..Hα-helixtrans-68.2-41.2174.8-177.368.6000111.4S198 Q202 R203 V204 L259 I262 W277 F291 L292S198-L200 PolarHBondContact O-N 3.43Å; S198-L200 PolarHBondContact OG-N 2.89Å; L200-Q202 VanDerWaalsContact C-N 3.34Å; L200-Q202 PolarHBondContact O-N 2.83Å; L200-R203 WeakPolarHBondContact O-CB 3.46Å; L200-R203 PolarHBondContact O-N 3.2Å; L200-V204 WeakPolarHBondContact O-CG2 3.39Å; L200-V204 PolarHBondContact O-N 3.38Å; L200-L259 HydrophobicContact CD1-CD2 4.17Å; L200-L259 HydrophobicContact CD2-CD2 4.14Å; L200-L259 HydrophobicContact CG-CD2 4.28Å; L200-I262 HydrophobicContact CD1-CD1 3.92Å; L200-W277 HydrophobicContact CD1-CB 3.89Å; L200-W277 HydrophobicContact CD1-CD2 4.28Å; L200-W277 HydrophobicContact CD1-CG 3.88Å; L200-W277 HydrophobicContact CD2-CD2 3.69Å; L200-W277 VanDerWaalsContact CD2-CE2 3.48Å; L200-W277 HydrophobicContact CD2-CE3 4.34Å; L200-W277 HydrophobicContact CD2-CG 3.87Å; L200-W277 HydrophobicContact CD2-CZ2 3.95Å; L200-F291 HydrophobicContact CD2-CB 4.01Å; L200-L292 HydrophobicContact CD2-CD2 4.23Å; L200-L292 HydrophobicContact CG-CD2 4.25Å
201G90.8Very high90.8Very high0 Ų043.4 Ų43.40%021%0.211CC..Hα-helixtrans-59-44.5175.500000112.1L196 S198 V204 R205L196-G201 CarbonylContact O-C 3.56Å; S198-G201 CarbonylContact O-C 3.5Å; S198-G201 WeakPolarHBondContact O-CA 3.42Å; S198-G201 PolarHBondContact O-N 3.41Å; S198-G201 PolarHBondContact OG-N 3.23Å; G201-V204 PolarHBondContact O-N 2.94Å; G201-R205 VanDerWaalsContact O-CB 3.26Å; G201-R205 WeakPolarHBondContact O-CB 3.34Å; G201-R205 PolarHBondContact O-N 3.23Å
202Q89.8Confident90.8Very high76 Ų7641.8 Ų41.836%0.35520%0.204SC..Hα-helixtrans-61.9-44.4174.8-68.5178.918.400111.3L196 N197 S198 L200 V204 R205 C206L196-Q202 PolarHBondContact O-N 2.87Å; N197-Q202 PolarHBondContact O-NE2 3.13Å; N197-Q202 VanDerWaalsContact O-NE2 3.1Å; S198-Q202 WeakPolarHBondContact O-CG 3.45Å; S198-Q202 PolarHBondContact O-N 2.85Å; L200-Q202 VanDerWaalsContact C-N 3.34Å; L200-Q202 PolarHBondContact O-N 2.83Å; Q202-V204 PolarHBondContact O-N 2.92Å; Q202-R205 WeakPolarHBondContact O-CB 3.25Å; Q202-R205 PolarHBondContact O-N 3Å; Q202-C206 PolarHBondContact O-N 3.07Å; Q202-C206 PolarHBondContact O-SG 3.2Å; Q202-C206 VanDerWaalsContact O-SG 3.34Å
203R90.1Very high90.7Very high2 Ų237.7 Ų37.71%0.00818%0.183CC..Hα-helixtrans-59.1-46.4175.5-173.361.2165.6165.3-4.8112.1Q71 D72 E74 N199 L200 C206 I207 E276Q71-R203 PolarHBondContact O-NH1 3.5Å; D72-R203 WeakPolarHBondContact OD1-CD 3.21Å; D72-R203 IonicContact OD1-CZ 3.58Å; D72-R203 IonicContact OD1-NH1 3.6Å; D72-R203 PolarHBondContact OD1-NH1 3.38Å; E74-R203 VanDerWaalsContact CD-NH2 3.26Å; E74-R203 IonicContact OE1-CZ 3.02Å; E74-R203 IonicContact OE1-NH2 2.81Å; E74-R203 PolarHBondContact OE1-NH2 2.84Å; E74-R203 IonicContact OE2-CZ 2.69Å; E74-R203 IonicContact OE2-NH1 3.62Å; E74-R203 PolarHBondContact OE2-NH1 2.9Å; E74-R203 IonicContact OE2-NH2 2.63Å; E74-R203 PolarHBondContact OE2-NH2 2.73Å; N199-R203 PolarHBondContact O-N 3.49Å; L200-R203 WeakPolarHBondContact O-CB 3.46Å; L200-R203 PolarHBondContact O-N 3.2Å; R203-C206 PolarHBondContact O-N 3.02Å; R203-I207 WeakPolarHBondContact O-CG1 3.25Å; R203-I207 PolarHBondContact O-N 2.8Å; R203-E276 IonicContact NE-OE1 3.08Å; R203-E276 IonicContact NE-OE2 3.99Å; R203-E276 IonicContact NH2-OE2 3.06Å
204V92.7Very high90.5Very high0 Ų040.7 Ų40.70%020%0.204CC..Hα-helixtrans-64.1-42.5176.11740000111.2F162 L200 G201 Q202 C206 I207 L208 I232 L259 I262 L292F162-V204 HydrophobicContact CE1-CG1 4.02Å; F162-V204 HydrophobicContact CZ-CG1 4.09Å; L200-V204 WeakPolarHBondContact O-CG2 3.39Å; L200-V204 PolarHBondContact O-N 3.38Å; G201-V204 PolarHBondContact O-N 2.94Å; Q202-V204 PolarHBondContact O-N 2.92Å; V204-C206 VanDerWaalsContact C-N 3.29Å; V204-C206 PolarHBondContact O-N 3.33Å; V204-I207 PolarHBondContact O-N 3.49Å; V204-L208 HydrophobicContact CG1-CD1 3.85Å; V204-L208 HydrophobicContact CG1-CG 4.29Å; V204-L208 WeakPolarHBondContact O-CG 3.22Å; V204-L208 PolarHBondContact O-N 2.91Å; V204-I232 HydrophobicContact CG1-CD1 3.66Å; V204-L259 HydrophobicContact CG2-CD1 4.37Å; V204-L259 HydrophobicContact CG2-CD2 3.76Å; V204-I262 HydrophobicContact CG2-CD1 3.95Å; V204-L292 HydrophobicContact CG2-CD2 4.2Å
205R92.4Very high90.5Very high103 Ų10335.3 Ų35.339%0.38918%0.184SC..Hα-helixtrans-58.1-42.3175.5176.8178.8-179.5-169.3-1.4111.1F193 L196 G201 Q202 L208 K209F193-R205 HydrophobicContact CD1-CB 4.42Å; F193-R205 HydrophobicContact CD1-CG 3.81Å; F193-R205 HydrophobicContact CD2-CG 3.98Å; F193-R205 HydrophobicContact CE1-CB 4.42Å; F193-R205 HydrophobicContact CE1-CG 3.87Å; F193-R205 HydrophobicContact CE2-CG 4.04Å; F193-R205 HydrophobicContact CG-CG 3.85Å; F193-R205 HydrophobicContact CZ-CG 3.98Å; L196-R205 HydrophobicContact CD1-CB 4.19Å; G201-R205 VanDerWaalsContact O-CB 3.26Å; G201-R205 WeakPolarHBondContact O-CB 3.34Å; G201-R205 PolarHBondContact O-N 3.23Å; Q202-R205 WeakPolarHBondContact O-CB 3.25Å; Q202-R205 PolarHBondContact O-N 3Å; R205-L208 PolarHBondContact O-N 2.89Å; R205-K209 WeakPolarHBondContact O-CB 3.39Å; R205-K209 PolarHBondContact O-N 2.86Å
206C90.7Very high90.5Very high23 Ų2341.8 Ų41.816%0.15521%0.206CC..Hα-helixtrans-63.7-47.8176-72.40000111.6D72 Q202 R203 V204 L208 K209 H210D72-C206 PolarHBondContact OD2-SG 2.84Å; Q202-C206 PolarHBondContact O-N 3.07Å; Q202-C206 PolarHBondContact O-SG 3.2Å; Q202-C206 VanDerWaalsContact O-SG 3.34Å; R203-C206 PolarHBondContact O-N 3.02Å; V204-C206 VanDerWaalsContact C-N 3.29Å; V204-C206 PolarHBondContact O-N 3.33Å; C206-L208 VanDerWaalsContact C-N 3.31Å; C206-L208 PolarHBondContact O-N 3.1Å; C206-K209 PolarHBondContact O-N 3.5Å; C206-H210 PolarHBondContact O-N 3.4Å; C206-H210 VanDerWaalsContact O-N 3.13Å; C206-H210 PolarHBondContact O-ND1 2.91Å
207I92.2Very high90.5Very high0 Ų049 Ų490%025%0.245CC..Hα-helixtrans-56.9-45.3176.1-64.4168.4000111Y75 I151 P158 A160 R203 V204 L211 I262Y75-I207 HydrophobicContact CE2-CG1 4.2Å; I151-I207 HydrophobicContact CB-CG2 4.43Å; I151-I207 HydrophobicContact CG2-CG2 4.01Å; P158-I207 HydrophobicContact CB-CD1 4.15Å; P158-I207 HydrophobicContact CG-CD1 3.9Å; P158-I207 HydrophobicContact CG-CG1 3.93Å; A160-I207 HydrophobicContact CB-CD1 4.11Å; R203-I207 WeakPolarHBondContact O-CG1 3.25Å; R203-I207 PolarHBondContact O-N 2.8Å; V204-I207 PolarHBondContact O-N 3.49Å; I207-L211 WeakPolarHBondContact O-CG 3.48Å; I207-I262 HydrophobicContact CD1-CD1 4.45Å
208L92.6Very high90.6Very high2 Ų251.9 Ų51.91%0.0126%0.26CS..Hα-helixtrans-73.7-36.5-177.5-67.8175.6000113.3I151 F162 F193 V204 R205 C206 L211 F212 W225I151-L208 HydrophobicContact CD1-CD2 3.78Å; F162-L208 HydrophobicContact CZ-CD2 4.44Å; F193-L208 HydrophobicContact CE1-CB 4.37Å; V204-L208 HydrophobicContact CG1-CD1 3.85Å; V204-L208 HydrophobicContact CG1-CG 4.29Å; V204-L208 WeakPolarHBondContact O-CG 3.22Å; V204-L208 PolarHBondContact O-N 2.91Å; R205-L208 PolarHBondContact O-N 2.89Å; C206-L208 VanDerWaalsContact C-N 3.31Å; C206-L208 PolarHBondContact O-N 3.1Å; L208-L211 HydrophobicContact CD2-CD1 4.47Å; L208-F212 WeakPolarHBondContact O-CD2 3.38Å; L208-W225 HydrophobicContact CD1-CD2 4.26Å; L208-W225 HydrophobicContact CD1-CE3 4.02Å; L208-W225 HydrophobicContact CD1-CZ3 4.16Å; L208-W225 HydrophobicContact CD2-CH2 4.11Å; L208-W225 HydrophobicContact CD2-CZ2 4.47Å; L208-W225 HydrophobicContact CD2-CZ3 4.38Å
209K91.5Very high90.5Very high103 Ų10351.8 Ų51.845%0.44826%0.26SS..Hα-helixtrans-66.5-44.8-179.9179.5-174.8172.6-165.60111.3F193 R205 C206 L211 F212F193-K209 HydrophobicContact CE2-CB 4.19Å; F193-K209 HydrophobicContact CZ-CB 4.05Å; R205-K209 WeakPolarHBondContact O-CB 3.39Å; R205-K209 PolarHBondContact O-N 2.86Å; C206-K209 PolarHBondContact O-N 3.5Å; K209-L211 PolarHBondContact O-N 3.11Å; K209-F212 PolarHBondContact O-N 2.93Å; K209-F212 VanDerWaalsContact O-N 3.14Å
210H90.7Very high90.6Very high40 Ų4053.2 Ų53.219%0.18526%0.261CS..THydrogen-bonded Turntrans-75-3.7-173.5-63.2121.6000114.6Y75 A78 P83 C206 F212Y75-H210 HydrophobicContact CD1-CB 3.54Å; Y75-H210 AromaticContact CD1-CG 3.55Å; Y75-H210 AromaticContact CD1-ND1 3.37Å; Y75-H210 WeakPolarHBondContact CD1-ND1 3.24Å; Y75-H210 AromaticContact CD2-ND1 3.9Å; Y75-H210 HydrophobicContact CE1-CB 3.68Å; Y75-H210 AromaticContact CE1-ND1 3.98Å; Y75-H210 HydrophobicContact CG-CB 4.41Å; Y75-H210 AromaticContact CG-CE1 3.89Å; Y75-H210 AromaticContact CG-CG 3.95Å; Y75-H210 AromaticContact CG-ND1 3.32Å; Y75-H210 VanDerWaalsContact CG-ND1 3.32Å; A78-H210 WeakPolarHBondContact CB-CD2 3.37Å; P83-H210 WeakPolarHBondContact CB-O 3.4Å; C206-H210 PolarHBondContact O-N 3.4Å; C206-H210 VanDerWaalsContact O-N 3.13Å; C206-H210 PolarHBondContact O-ND1 2.91Å; H210-F212 PolarHBondContact O-N 3.03Å
211L91Very high90.7Very high5 Ų552.1 Ų52.13%0.02626%0.255CS..THydrogen-bonded Turntrans-70.6-18.2167.9-64.9170.6000112.8V85 I108 D135 I137 I151 I207 L208 K209V85-L211 HydrophobicContact CG1-CD2 4.49Å; V85-L211 HydrophobicContact CG2-CD2 4.28Å; I108-L211 HydrophobicContact CD1-CB 4.44Å; I108-L211 VanDerWaalsContact CG2-O 3.22Å; I108-L211 WeakPolarHBondContact CG2-O 3.44Å; D135-L211 HydrophobicContact CB-CD2 3.55Å; I137-L211 HydrophobicContact CD1-CD1 4.34Å; I137-L211 HydrophobicContact CD1-CD2 4.33Å; I151-L211 HydrophobicContact CD1-CD1 3.8Å; I151-L211 HydrophobicContact CG2-CD1 4.09Å; I151-L211 HydrophobicContact CG2-CD2 3.87Å; I151-L211 HydrophobicContact CG2-CG 4.45Å; I207-L211 WeakPolarHBondContact O-CG 3.48Å; L208-L211 HydrophobicContact CD2-CD1 4.47Å; K209-L211 PolarHBondContact O-N 3.11Å
212F91.9Very high90.8Very high12 Ų1252.9 Ų52.95%0.05326%0.26CS..SBendtrans-111.8144-175.6-61.6-96.1000110.9L107 I108 P189 H191 L208 K209 H210 W225L107-F212 HydrophobicContact CD2-CE1 3.72Å; L107-F212 HydrophobicContact CD2-CZ 3.51Å; I108-F212 HydrophobicContact CB-CE1 4.48Å; I108-F212 HydrophobicContact CG1-CE1 3.95Å; I108-F212 HydrophobicContact CG1-CZ 3.99Å; P189-F212 HydrophobicContact CG-CD1 3.51Å; P189-F212 HydrophobicContact CG-CE1 3.9Å; P189-F212 HydrophobicContact CG-CG 4.39Å; H191-F212 AromaticContact CE1-CD1 3.71Å; H191-F212 AromaticContact CE1-CD2 3.21Å; H191-F212 WeakPolarHBondContact CE1-CD2 3.38Å; H191-F212 AromaticContact CE1-CE2 3.66Å; H191-F212 AromaticContact CE1-CG 3.23Å; H191-F212 WeakPolarHBondContact CE1-CG 3.42Å; H191-F212 WeakPolarHBondContact NE2-CB 3.28Å; H191-F212 AromaticContact NE2-CD1 3.98Å; H191-F212 AromaticContact NE2-CD2 3.6Å; H191-F212 AromaticContact NE2-CG 3.31Å; H191-F212 VanDerWaalsContact NE2-CG 3.31Å; H191-F212 WeakPolarHBondContact NE2-CG 3.25Å; L208-F212 WeakPolarHBondContact O-CD2 3.38Å; K209-F212 PolarHBondContact O-N 2.93Å; K209-F212 VanDerWaalsContact O-N 3.14Å; H210-F212 PolarHBondContact O-N 3.03Å; F212-W225 HydrophobicContact CE2-CZ2 4.17Å; F212-W225 HydrophobicContact CZ-CZ2 4.42Å
213P91.2Very high91Very high3 Ų349.3 Ų49.32%0.01924%0.243CC..PPolyproline II helixtrans-68.7161171.631.6-35.3000110.7P109 Y188 P215P109-P213 HydrophobicContact CB-CG 4.29Å; P109-P213 HydrophobicContact CG-CG 3.49Å; P109-P213 VanDerWaalsContact CG-CG 3.49Å; Y188-P213 HydrophobicContact CD1-CB 4.5Å; Y188-P213 HydrophobicContact CD1-CG 3.54Å; Y188-P213 HydrophobicContact CD2-CB 3.93Å; Y188-P213 HydrophobicContact CD2-CG 3.75Å; Y188-P213 HydrophobicContact CE1-CB 4.37Å; Y188-P213 HydrophobicContact CE1-CG 3.64Å; Y188-P213 HydrophobicContact CE2-CB 3.74Å; Y188-P213 HydrophobicContact CE2-CG 3.82Å; Y188-P213 HydrophobicContact CG-CB 4.29Å; Y188-P213 HydrophobicContact CG-CG 3.59Å; P213-P215 WeakPolarHBondContact O-CD 3.42Å
214V89.6Confident91.2Very high95 Ų9550.4 Ų50.458%0.57625%0.25SS*.PPolyproline II helixtrans-64.1121.8179.3-177.90000109.5Y188Y188-V214 WeakPolarHBondContact CD2-O 3.49Å
215P90.4Very high91.3Very high39 Ų3950.9 Ų50.925%0.25325%0.252SS..PPolyproline II helixtrans-71.5157.7-179.429.8-34.4000111.9P189 N190 P213P189-P215 WeakPolarHBondContact O-CB 3.31Å; N190-P215 VanDerWaalsContact OD1-CB 3.31Å; N190-P215 WeakPolarHBondContact OD1-CB 3.36Å; N190-P215 WeakPolarHBondContact OD1-CG 3.41Å; P213-P215 WeakPolarHBondContact O-CD 3.42Å
216K88.9Confident91.4Very high158 Ų15849.1 Ų49.169%0.68725%0.246SC*.PPolyproline II helixtrans-85.4148.9166.4-62.4-176178.8-174.50109.5D218 S219K216-D218 PolarHBondContact O-N 2.81Å; K216-S219 VanDerWaalsContact O-CB 3.25Å; K216-S219 WeakPolarHBondContact O-CB 3.03Å; K216-S219 PolarHBondContact O-N 3.13Å
217D86.6Confident91.5Very high153 Ų15349.3 Ų49.382%0.81824%0.244SC*.THydrogen-bonded Turntrans-56.8-35.6-179.9-59.9-34.6000112.8S219D217-S219 PolarHBondContact O-N 3.35Å
218D88.7Confident91.5Very high151 Ų15155 Ų5581%0.80727%0.271SS*.THydrogen-bonded Turntrans-76.73.9179.8-64.3-29.3000114.6K216 K220K216-D218 PolarHBondContact O-N 2.81Å; D218-K220 PolarHBondContact O-N 3.33Å
219S89.1Confident91.2Very high4 Ų460.5 Ų60.53%0.02830%0.3CS..  trans-70.4121.2-176.4-169.40000112.2Y188 N190 K216 D217 R221 Y239Y188-S219 WeakPolarHBondContact O-CB 3Å; Y188-S219 PolarHBondContact O-OG 2.86Å; N190-S219 PolarHBondContact ND2-O 3.39Å; K216-S219 VanDerWaalsContact O-CB 3.25Å; K216-S219 WeakPolarHBondContact O-CB 3.03Å; K216-S219 PolarHBondContact O-N 3.13Å; D217-S219 PolarHBondContact O-N 3.35Å; S219-R221 VanDerWaalsContact C-N 3.31Å; S219-Y239 WeakPolarHBondContact O-CE1 3.4Å; S219-Y239 PolarHBondContact O-OH 2.75Å; S219-Y239 VanDerWaalsContact O-OH 3.08Å
220K91Very high91.1Very high123 Ų12356.3 Ų56.354%0.53528%0.283SS..  trans-82.9-8.8176.6-62.9-177.5-177.5178.30113.7D218 T238 Y239D218-K220 PolarHBondContact O-N 3.33Å; K220-T238 HydrophobicContact CB-CG2 4.09Å; K220-T238 WeakPolarHBondContact O-CA 3.47Å; K220-Y239 VanDerWaalsContact CA-CE1 3.48Å; K220-Y239 HydrophobicContact CB-CE1 4.46Å; K220-Y239 WeakPolarHBondContact O-CD1 3.33Å; K220-Y239 WeakPolarHBondContact O-CE1 3.5Å; K220-Y239 PolarHBondContact O-N 2.84Å
221R92.2Very high91.2Very high3 Ų356.1 Ų56.11%0.01128%0.284CS..EExtended strand (participates in β ladder)trans-90.6129.5-176.4-173.8-171.7178.2-163.1-3.7109.1L107 P185 T187 P189 N190 S219 H236L107-R221 PolarHBondContact O-NH1 3.03Å; L107-R221 PolarHBondContact O-NH2 2.91Å; P185-R221 HydrophobicContact CG-CG 4.1Å; P185-R221 PolarHBondContact O-NE 3.03Å; P185-R221 PolarHBondContact O-NH1 2.58Å; T187-R221 WeakPolarHBondContact O-CD 3.3Å; T187-R221 PolarHBondContact O-NH1 2.9Å; P189-R221 CarbonylContact C-O 3.54Å; P189-R221 WeakPolarHBondContact CA-O 3.39Å; P189-R221 HydrophobicContact CB-CG 4Å; N190-R221 PolarHBondContact N-O 3.3Å; S219-R221 VanDerWaalsContact C-N 3.31Å; R221-H236 WeakPolarHBondContact CG-NE2 3.42Å; R221-H236 PolarHBondContact NE-NE2 2.79Å
222V93Very high91.4Very high16 Ų1655.9 Ų55.910%0.09728%0.283CS..EExtended strand (participates in β ladder)trans-130129.7-177.3-179.30000110.2N190 I192 T224 H237 Y239N190-V222 HydrophobicContact CB-CG2 4.22Å; N190-V222 CarbonylContact O-C 3.59Å; N190-V222 WeakPolarHBondContact O-CA 3.42Å; I192-V222 HydrophobicContact CD1-CG1 3.53Å; I192-V222 HydrophobicContact CG1-CG1 3.78Å; V222-T224 HydrophobicContact CG1-CG2 3.85Å; V222-H237 PolarHBondContact N-O 3.28Å; V222-H237 PolarHBondContact O-N 2.91Å; V222-Y239 HydrophobicContact CG2-CD1 3.51Å; V222-Y239 HydrophobicContact CG2-CE1 3.64Å
223V94Very high91.6Very high0 Ų055.6 Ų55.60%028%0.283CS..EExtended strand (participates in β ladder)trans-107119.8171.3163.20000107.8P189 N190 H191 I192 W225 F234P189-V223 HydrophobicContact CB-CB 4.22Å; P189-V223 HydrophobicContact CB-CG2 3.64Å; P189-V223 HydrophobicContact CG-CG2 4.01Å; N190-V223 PolarHBondContact O-N 2.77Å; H191-V223 WeakPolarHBondContact CA-O 3.43Å; I192-V223 PolarHBondContact N-O 2.78Å; V223-W225 HydrophobicContact CG1-CZ2 4.21Å; V223-F234 HydrophobicContact CB-CE2 4.38Å; V223-F234 HydrophobicContact CG1-CD2 4.04Å; V223-F234 HydrophobicContact CG1-CE2 3.27Å; V223-F234 HydrophobicContact CG1-CZ 4Å; V223-F234 HydrophobicContact CG2-CE2 4.36Å; V223-F234 HydrophobicContact CG2-CZ 4.28Å
224T94.5Very high91.8Very high25 Ų2555.5 Ų55.515%0.15328%0.282CS..EExtended strand (participates in β ladder)trans-108.7123.9-178.458.90000110I192 V222 R235I192-T224 HydrophobicContact CB-CG2 4.13Å; I192-T224 HydrophobicContact CD1-CG2 4.16Å; I192-T224 HydrophobicContact CG1-CG2 4.49Å; V222-T224 HydrophobicContact CG1-CG2 3.85Å; T224-R235 PolarHBondContact N-O 2.76Å; T224-R235 PolarHBondContact O-N 3.37Å; T224-R235 WeakPolarHBondContact OG1-CB 3.43Å; T224-R235 PolarHBondContact OG1-O 3.06Å; T224-R235 VanDerWaalsContact OG1-O 3.09Å
225W95.1Very high91.9Very high11 Ų1153.5 Ų53.54%0.04226%0.264CS..EExtended strand (participates in β ladder)trans-109.9115.2167.6-53.595.7000106.9H191 I192 F193 K194 L208 F212 V223 I232 F234 F255 L257H191-W225 AromaticContact ND1-NE1 3.95Å; I192-W225 PolarHBondContact O-N 3.2Å; F193-W225 CarbonylContact C-O 3.58Å; F193-W225 VanDerWaalsContact CA-O 3.31Å; F193-W225 WeakPolarHBondContact CA-O 3.11Å; F193-W225 HydrophobicContact CD1-CB 3.63Å; F193-W225 AromaticContact CD1-CD1 3.74Å; F193-W225 AromaticContact CD1-CG 3.89Å; F193-W225 HydrophobicContact CD1-CG 3.89Å; F193-W225 HydrophobicContact CE1-CB 3.88Å; F193-W225 AromaticContact CE1-CD1 3.26Å; F193-W225 HydrophobicContact CE1-CD2 4.42Å; F193-W225 AromaticContact CE1-CG 3.61Å; F193-W225 HydrophobicContact CE1-CG 3.61Å; F193-W225 AromaticContact CE1-NE1 3.88Å; F193-W225 AromaticContact CZ-CD1 3.59Å; F193-W225 HydrophobicContact CZ-CG 4.37Å; F193-W225 AromaticContact CZ-NE1 3.93Å; K194-W225 PolarHBondContact N-O 2.99Å; L208-W225 HydrophobicContact CD1-CD2 4.26Å; L208-W225 HydrophobicContact CD1-CE3 4.02Å; L208-W225 HydrophobicContact CD1-CZ3 4.16Å; L208-W225 HydrophobicContact CD2-CH2 4.11Å; L208-W225 HydrophobicContact CD2-CZ2 4.47Å; L208-W225 HydrophobicContact CD2-CZ3 4.38Å; F212-W225 HydrophobicContact CE2-CZ2 4.17Å; F212-W225 HydrophobicContact CZ-CZ2 4.42Å; V223-W225 HydrophobicContact CG1-CZ2 4.21Å; W225-I232 HydrophobicContact CB-CG2 4.24Å; W225-I232 HydrophobicContact CE3-CG2 3.89Å; W225-F234 AromaticContact CD2-CD2 3.76Å; W225-F234 HydrophobicContact CD2-CD2 3.76Å; W225-F234 HydrophobicContact CD2-CE2 4.45Å; W225-F234 AromaticContact CE2-CD2 3.68Å; W225-F234 AromaticContact CE2-CE2 3.93Å; W225-F234 HydrophobicContact CE3-CB 3.94Å; W225-F234 AromaticContact CE3-CD2 3.56Å; W225-F234 HydrophobicContact CE3-CD2 3.56Å; W225-F234 HydrophobicContact CE3-CG 4.23Å; W225-F234 HydrophobicContact CH2-CB 4.44Å; W225-F234 AromaticContact CH2-CD2 3.25Å; W225-F234 HydrophobicContact CH2-CD2 3.25Å; W225-F234 AromaticContact CH2-CE2 3.67Å; W225-F234 HydrophobicContact CH2-CE2 3.67Å; W225-F234 HydrophobicContact CH2-CG 4.1Å; W225-F234 AromaticContact CZ2-CD2 3.45Å; W225-F234 HydrophobicContact CZ2-CD2 3.45Å; W225-F234 VanDerWaalsContact CZ2-CD2 3.45Å; W225-F234 AromaticContact CZ2-CE2 3.53Å; W225-F234 HydrophobicContact CZ2-CE2 3.53Å; W225-F234 HydrophobicContact CZ3-CB 3.73Å; W225-F234 AromaticContact CZ3-CD2 3.29Å; W225-F234 HydrophobicContact CZ3-CD2 3.29Å; W225-F234 HydrophobicContact CZ3-CE2 4.19Å; W225-F234 AromaticContact CZ3-CG 3.87Å; W225-F234 HydrophobicContact CZ3-CG 3.87Å; W225-F255 HydrophobicContact CZ3-CE2 4.46Å; W225-L257 HydrophobicContact CE3-CD1 4.38Å; W225-L257 HydrophobicContact CH2-CD1 4.41Å; W225-L257 HydrophobicContact CZ3-CD1 3.58Å
226Y94.3Very high92Very high66 Ų6651.6 Ų51.626%0.25925%0.252SS..EExtended strand (participates in β ladder)trans-123.7139.817263.8-85.8000109.3K194 I232 C233 R235K194-Y226 WeakPolarHBondContact O-CA 3.32Å; Y226-I232 CarbonylContact O-C 3.45Å; Y226-C233 HydrophobicContact CD1-CB 3.95Å; Y226-C233 WeakPolarHBondContact CD1-O 3.45Å; Y226-C233 HydrophobicContact CD2-CB 3.78Å; Y226-C233 HydrophobicContact CE1-CB 3.48Å; Y226-C233 VanDerWaalsContact CE1-CB 3.48Å; Y226-C233 HydrophobicContact CE2-CB 3.29Å; Y226-C233 HydrophobicContact CG-CB 4.09Å; Y226-C233 PolarHBondContact N-O 2.8Å; Y226-C233 PolarHBondContact O-N 2.79Å; Y226-C233 WeakPolarHBondContact OH-CB 3.38Å; Y226-R235 HydrophobicContact CE1-CG 3.91Å
227E93.2Very high92.1Very high26 Ų2645.8 Ų45.812%0.12123%0.227CC..EExtended strand (participates in β ladder)trans-99.8136.1178.1178.6-90155.100110.2K194 L196 D230 V231 L292 S293K194-E227 PolarHBondContact O-N 3.14Å; L196-E227 HydrophobicContact CD2-CB 4.08Å; L196-E227 HydrophobicContact CD2-CG 4.28Å; L196-E227 HydrophobicContact CG-CB 4.38Å; E227-D230 PolarHBondContact OE1-N 3.03Å; E227-V231 WeakPolarHBondContact CA-O 3.24Å; E227-L292 HydrophobicContact CG-CB 4.02Å; E227-L292 HydrophobicContact CG-CD1 4.14Å; E227-S293 PolarHBondContact OE1-OG 3.09Å; E227-S293 VanDerWaalsContact OE1-OG 3.07Å; E227-S293 WeakPolarHBondContact OE2-CB 3.46Å; E227-S293 PolarHBondContact OE2-OG 2.69Å
228E91Very high92.3Very high121 Ų12139.3 Ų39.357%0.56519%0.193SC*.EExtended strand (participates in β ladder)trans-141.4116.8175-173.9171.8-164.200107.4D230 V231E228-D230 PolarHBondContact O-N 3.26Å; E228-V231 PolarHBondContact N-O 2.86Å; E228-V231 WeakPolarHBondContact O-CB 3.25Å; E228-V231 PolarHBondContact O-N 3.46Å
229D88Confident92.4Very high117 Ų11734.5 Ų34.563%0.62616%0.164SC*.THydrogen-bonded Turntrans49.551.2-179.8-65.3-33000114.8V231D229-V231 PolarHBondContact O-N 2.84Å
230D89.1Confident92.6Very high14 Ų1440.1 Ų40.18%0.07519%0.188CC..THydrogen-bonded Turntrans62.112.3-175.8-74.6-31.6000115.5E227 E228 Q290 F291 L292E227-D230 PolarHBondContact OE1-N 3.03Å; E228-D230 PolarHBondContact O-N 3.26Å; D230-Q290 WeakPolarHBondContact OD2-CA 3.39Å; D230-F291 VanDerWaalsContact CG-N 3.28Å; D230-F291 PolarHBondContact OD1-N 3.46Å; D230-F291 VanDerWaalsContact OD2-CD2 3.29Å; D230-F291 WeakPolarHBondContact OD2-CD2 3.33Å; D230-F291 PolarHBondContact OD2-N 3.24Å; D230-L292 WeakPolarHBondContact OD1-CB 3.46Å; D230-L292 PolarHBondContact OD1-N 3.31Å
231V93.1Very high92.6Very high36 Ų3642 Ų4222%0.21819%0.193CC..EExtended strand (participates in β ladder)trans-106.7123.9172.5-175.70000108.9E227 E228 D229 C233 D256 L257E227-V231 WeakPolarHBondContact CA-O 3.24Å; E228-V231 PolarHBondContact N-O 2.86Å; E228-V231 WeakPolarHBondContact O-CB 3.25Å; E228-V231 PolarHBondContact O-N 3.46Å; D229-V231 PolarHBondContact O-N 2.84Å; V231-C233 PolarHBondContact O-N 3.12Å; V231-D256 HydrophobicContact CG1-CB 3.7Å; V231-L257 CarbonylContact C-O 3.55Å
232I94.9Very high92.5Very high0 Ų044.7 Ų44.70%021%0.209CC..EExtended strand (participates in β ladder)trans-92.2103.8179-51.3172.9000108.3L196 V204 W225 Y226 L257 L292L196-I232 HydrophobicContact CD2-CD1 3.96Å; L196-I232 HydrophobicContact CD2-CG1 4.1Å; V204-I232 HydrophobicContact CG1-CD1 3.66Å; W225-I232 HydrophobicContact CB-CG2 4.24Å; W225-I232 HydrophobicContact CE3-CG2 3.89Å; Y226-I232 CarbonylContact O-C 3.45Å; I232-L257 HydrophobicContact CB-CB 4.23Å; I232-L257 PolarHBondContact N-O 3.37Å; I232-L257 PolarHBondContact O-N 2.84Å; I232-L292 HydrophobicContact CD1-CD1 3.85Å; I232-L292 HydrophobicContact CG1-CD1 3.66Å
233C95Very high92.3Very high7 Ų751 Ų515%0.04724%0.243CC..EExtended strand (participates in β ladder)trans-82.1124.1176-64.20000110.3Y226 V231 D256Y226-C233 HydrophobicContact CD1-CB 3.95Å; Y226-C233 WeakPolarHBondContact CD1-O 3.45Å; Y226-C233 HydrophobicContact CD2-CB 3.78Å; Y226-C233 HydrophobicContact CE1-CB 3.48Å; Y226-C233 VanDerWaalsContact CE1-CB 3.48Å; Y226-C233 HydrophobicContact CE2-CB 3.29Å; Y226-C233 HydrophobicContact CG-CB 4.09Å; Y226-C233 PolarHBondContact N-O 2.8Å; Y226-C233 PolarHBondContact O-N 2.79Å; Y226-C233 WeakPolarHBondContact OH-CB 3.38Å; V231-C233 PolarHBondContact O-N 3.12Å; C233-D256 PolarHBondContact SG-OD1 2.76Å
234F95Very high92Very high0 Ų060.9 Ų60.90%029%0.286CS..EExtended strand (participates in β ladder)trans-100.9129.8176.7175.3-93.8000110.6L107 V223 W225 H236 P253 F255L107-F234 HydrophobicContact CD1-CD1 4.4Å; L107-F234 HydrophobicContact CD1-CE1 3.32Å; L107-F234 HydrophobicContact CD1-CE2 4.23Å; L107-F234 HydrophobicContact CD1-CZ 3.21Å; L107-F234 HydrophobicContact CD2-CE2 4.31Å; L107-F234 HydrophobicContact CD2-CZ 3.9Å; L107-F234 HydrophobicContact CG-CE1 4.35Å; L107-F234 HydrophobicContact CG-CZ 3.79Å; V223-F234 HydrophobicContact CB-CE2 4.38Å; V223-F234 HydrophobicContact CG1-CD2 4.04Å; V223-F234 HydrophobicContact CG1-CE2 3.27Å; V223-F234 HydrophobicContact CG1-CZ 4Å; V223-F234 HydrophobicContact CG2-CE2 4.36Å; V223-F234 HydrophobicContact CG2-CZ 4.28Å; W225-F234 AromaticContact CD2-CD2 3.76Å; W225-F234 HydrophobicContact CD2-CD2 3.76Å; W225-F234 HydrophobicContact CD2-CE2 4.45Å; W225-F234 AromaticContact CE2-CD2 3.68Å; W225-F234 AromaticContact CE2-CE2 3.93Å; W225-F234 HydrophobicContact CE3-CB 3.94Å; W225-F234 AromaticContact CE3-CD2 3.56Å; W225-F234 HydrophobicContact CE3-CD2 3.56Å; W225-F234 HydrophobicContact CE3-CG 4.23Å; W225-F234 HydrophobicContact CH2-CB 4.44Å; W225-F234 AromaticContact CH2-CD2 3.25Å; W225-F234 HydrophobicContact CH2-CD2 3.25Å; W225-F234 AromaticContact CH2-CE2 3.67Å; W225-F234 HydrophobicContact CH2-CE2 3.67Å; W225-F234 HydrophobicContact CH2-CG 4.1Å; W225-F234 AromaticContact CZ2-CD2 3.45Å; W225-F234 HydrophobicContact CZ2-CD2 3.45Å; W225-F234 VanDerWaalsContact CZ2-CD2 3.45Å; W225-F234 AromaticContact CZ2-CE2 3.53Å; W225-F234 HydrophobicContact CZ2-CE2 3.53Å; W225-F234 HydrophobicContact CZ3-CB 3.73Å; W225-F234 AromaticContact CZ3-CD2 3.29Å; W225-F234 HydrophobicContact CZ3-CD2 3.29Å; W225-F234 HydrophobicContact CZ3-CE2 4.19Å; W225-F234 AromaticContact CZ3-CG 3.87Å; W225-F234 HydrophobicContact CZ3-CG 3.87Å; F234-H236 HydrophobicContact CE1-CB 3.97Å; F234-H236 HydrophobicContact CZ-CB 4.06Å; F234-P253 WeakPolarHBondContact CD1-O 3.26Å; F234-P253 VanDerWaalsContact CE1-O 3.32Å; F234-P253 WeakPolarHBondContact CE1-O 3.34Å; F234-F255 HydrophobicContact CB-CD2 4Å; F234-F255 HydrophobicContact CB-CE1 4.37Å; F234-F255 HydrophobicContact CB-CE2 3.69Å; F234-F255 HydrophobicContact CB-CG 4.46Å; F234-F255 HydrophobicContact CB-CZ 3.89Å; F234-F255 WeakPolarHBondContact CB-O 3.47Å; F234-F255 AromaticContact CD1-CD1 3.99Å; F234-F255 HydrophobicContact CD1-CD1 3.99Å; F234-F255 AromaticContact CD1-CE1 3.43Å; F234-F255 HydrophobicContact CD1-CE1 3.43Å; F234-F255 VanDerWaalsContact CD1-CE1 3.43Å; F234-F255 HydrophobicContact CD1-CE2 4.26Å; F234-F255 AromaticContact CD1-CZ 3.59Å; F234-F255 HydrophobicContact CD1-CZ 3.59Å; F234-F255 HydrophobicContact CD2-CZ 4.34Å; F234-F255 AromaticContact CE1-CE1 3.96Å; F234-F255 HydrophobicContact CE1-CE1 3.96Å; F234-F255 HydrophobicContact CE1-CZ 4.24Å; F234-F255 HydrophobicContact CG-CE1 4.01Å; F234-F255 HydrophobicContact CG-CE2 4Å; F234-F255 AromaticContact CG-CZ 3.67Å; F234-F255 HydrophobicContact CG-CZ 3.67Å; F234-F255 PolarHBondContact N-O 2.85Å; F234-F255 PolarHBondContact O-N 2.82Å
235R92.6Very high91.8Very high53 Ų5367.1 Ų67.120%0.231%0.311CS..EExtended strand (participates in β ladder)trans-137.5151.3169.7-53.3-71.8179.1-92.1-1.3110.8T224 Y226 H237 S254 F255 D256T224-R235 PolarHBondContact N-O 2.76Å; T224-R235 PolarHBondContact O-N 3.37Å; T224-R235 WeakPolarHBondContact OG1-CB 3.43Å; T224-R235 PolarHBondContact OG1-O 3.06Å; T224-R235 VanDerWaalsContact OG1-O 3.09Å; Y226-R235 HydrophobicContact CE1-CG 3.91Å; R235-H237 WeakPolarHBondContact CB-CE1 3.39Å; R235-S254 WeakPolarHBondContact CD-OG 3.37Å; R235-F255 PolarHBondContact NH1-O 3.22Å; R235-D256 IonicContact CZ-OD1 2.79Å; R235-D256 IonicContact NH1-OD1 2.75Å; R235-D256 PolarHBondContact NH1-OD1 3.47Å; R235-D256 IonicContact NH2-OD1 3.96Å; R235-D256 PolarHBondContact NH2-OD1 3.09Å; R235-D256 VanDerWaalsContact NH2-OD1 3.13Å
236H91.6Very high91.6Very high0 Ų070.9 Ų70.90%033%0.331CS..EExtended strand (participates in β ladder)trans-129118.6-176.3170.8-130.4000111.2M184 R221 F234 H251 G252M184-H236 WeakPolarHBondContact CE-CE1 3.14Å; M184-H236 WeakPolarHBondContact CE-ND1 3.42Å; R221-H236 WeakPolarHBondContact CG-NE2 3.42Å; R221-H236 PolarHBondContact NE-NE2 2.79Å; F234-H236 HydrophobicContact CE1-CB 3.97Å; F234-H236 HydrophobicContact CZ-CB 4.06Å; H236-H251 PolarHBondContact O-N 3.37Å; H236-H251 VanDerWaalsContact O-N 3.14Å; H236-G252 PolarHBondContact ND1-O 3.2Å
237H91.5Very high91.5Very high36 Ų3672.7 Ų72.717%0.16734%0.342CS..EExtended strand (participates in β ladder)trans-129.1154.2-172.6-56.7100.3000111.7V222 R235 T249V222-H237 PolarHBondContact N-O 3.28Å; V222-H237 PolarHBondContact O-N 2.91Å; R235-H237 WeakPolarHBondContact CB-CE1 3.39Å; H237-T249 CarbonylContact C-O 3.34Å; H237-T249 WeakPolarHBondContact CA-O 3.36Å
238T91.6Very high91.3Very high17 Ų1776.4 Ų76.410%0.10436%0.362CS..EExtended strand (participates in β ladder)trans-112.4140.3158.6-58.50000107.6K220 L248 T249 H251K220-T238 HydrophobicContact CB-CG2 4.09Å; K220-T238 WeakPolarHBondContact O-CA 3.47Å; T238-L248 WeakPolarHBondContact O-CA 3.29Å; T238-T249 PolarHBondContact N-O 3.02Å; T238-T249 PolarHBondContact O-N 3.21Å; T238-T249 PolarHBondContact O-OG1 3Å; T238-H251 WeakPolarHBondContact CB-NE2 3.5Å; T238-H251 PolarHBondContact OG1-CD2 3.27Å; T238-H251 PolarHBondContact OG1-NE2 3.1Å
239Y91.5Very high91.2Very high50 Ų5072.8 Ų72.820%0.19635%0.348CS..EExtended strand (participates in β ladder)trans-108.114817571.2-90.2000112S219 K220 V222 Y241 L246 E247S219-Y239 WeakPolarHBondContact O-CE1 3.4Å; S219-Y239 PolarHBondContact O-OH 2.75Å; S219-Y239 VanDerWaalsContact O-OH 3.08Å; K220-Y239 VanDerWaalsContact CA-CE1 3.48Å; K220-Y239 HydrophobicContact CB-CE1 4.46Å; K220-Y239 WeakPolarHBondContact O-CD1 3.33Å; K220-Y239 WeakPolarHBondContact O-CE1 3.5Å; K220-Y239 PolarHBondContact O-N 2.84Å; V222-Y239 HydrophobicContact CG2-CD1 3.51Å; V222-Y239 HydrophobicContact CG2-CE1 3.64Å; Y239-Y241 HydrophobicContact CD2-CD2 4.15Å; Y239-Y241 AromaticContact CD2-CE2 3.76Å; Y239-Y241 HydrophobicContact CD2-CE2 3.76Å; Y239-Y241 HydrophobicContact CE2-CD2 4.21Å; Y239-Y241 AromaticContact CE2-CE2 3.68Å; Y239-Y241 HydrophobicContact CE2-CE2 3.68Å; Y239-L246 HydrophobicContact CD2-CD1 3.89Å; Y239-L246 HydrophobicContact CG-CD1 4.1Å; Y239-E247 CarbonylContact C-O 3.58Å; Y239-E247 WeakPolarHBondContact CA-O 3.44Å
240K91.6Very high91.2Very high121 Ų12169.6 Ų69.653%0.52633%0.33SS..EExtended strand (participates in β ladder)trans-136.3144.5168.7-65.7-178.9-176.1174.60108.7E247K240-E247 PolarHBondContact N-O 3.32Å; K240-E247 PolarHBondContact O-N 2.86Å
241Y91.5Very high91Very high162 Ų16269.9 Ų69.964%0.63533%0.33SS*.EExtended strand (participates in β ladder)trans-96.8117.2170.6-71.2-82000108.5Y239 K245 L246Y239-Y241 HydrophobicContact CD2-CD2 4.15Å; Y239-Y241 AromaticContact CD2-CE2 3.76Å; Y239-Y241 HydrophobicContact CD2-CE2 3.76Å; Y239-Y241 HydrophobicContact CE2-CD2 4.21Å; Y239-Y241 AromaticContact CE2-CE2 3.68Å; Y239-Y241 HydrophobicContact CE2-CE2 3.68Å; Y241-K245 WeakPolarHBondContact CA-O 3.36Å; Y241-L246 HydrophobicContact CD1-CD1 4.2Å; Y241-L246 HydrophobicContact CE1-CB 4.21Å; Y241-L246 HydrophobicContact CE1-CD1 3.68Å; Y241-L246 HydrophobicContact CE2-CD1 4.08Å
242V90.4Very high90Very high60 Ų6068.1 Ų68.136%0.36432%0.32SS..EExtended strand (participates in β ladder)trans-120.5121.6172.5-176.90000106.4K244 K245V242-K244 VanDerWaalsContact C-N 3.28Å; V242-K244 PolarHBondContact O-N 2.95Å; V242-K245 PolarHBondContact N-O 2.84Å; V242-K245 WeakPolarHBondContact O-CA 3.34Å; V242-K245 WeakPolarHBondContact O-CB 3.44Å; V242-K245 PolarHBondContact O-N 3.28Å
243D89.1Confident89.7Confident150 Ų15068.2 Ų68.280%0.80232%0.32SS*.THydrogen-bonded Turntrans50.343.1-179-57.5-31.6000114.6K245D243-K245 PolarHBondContact O-N 2.92Å; D243-K245 VanDerWaalsContact O-N 3.1Å
244K87.1Confident89.5Confident206 Ų20668 Ų6890%0.89632%0.319SS*.THydrogen-bonded Turntrans62.27.3-175.3-55.4176.1178.4176.80114.9V242V242-K244 VanDerWaalsContact C-N 3.28Å; V242-K244 PolarHBondContact O-N 2.95Å
245K90.1Very high89.4Confident156 Ų15668.3 Ų68.368%0.67832%0.32SS*.EExtended strand (participates in β ladder)trans-95.7137.6170.6-64.2179.6-179.2175.50109.7Y241 V242 D243 E247Y241-K245 WeakPolarHBondContact CA-O 3.36Å; V242-K245 PolarHBondContact N-O 2.84Å; V242-K245 WeakPolarHBondContact O-CA 3.34Å; V242-K245 WeakPolarHBondContact O-CB 3.44Å; V242-K245 PolarHBondContact O-N 3.28Å; D243-K245 PolarHBondContact O-N 2.92Å; D243-K245 VanDerWaalsContact O-N 3.1Å; K245-E247 PolarHBondContact O-N 2.89Å
246L91.5Very high89.6Confident90 Ų9066.4 Ų66.447%0.47131%0.314SS..EExtended strand (participates in β ladder)trans-82.6112.9176-175.275.3000108.8Y239 Y241 L248Y239-L246 HydrophobicContact CD2-CD1 3.89Å; Y239-L246 HydrophobicContact CG-CD1 4.1Å; Y241-L246 HydrophobicContact CD1-CD1 4.2Å; Y241-L246 HydrophobicContact CE1-CB 4.21Å; Y241-L246 HydrophobicContact CE1-CD1 3.68Å; Y241-L246 HydrophobicContact CE2-CD1 4.08Å; L246-L248 HydrophobicContact CD2-CD2 4.16Å; L246-L248 HydrophobicContact CD2-CG 4.37Å; L246-L248 HydrophobicContact CG-CD2 4.22Å; L246-L248 HydrophobicContact CG-CG 4.41Å
247E91.2Very high89.7Confident105 Ų10566.4 Ų66.449%0.49131%0.314SS..EExtended strand (participates in β ladder)trans-99.8127.7170.9-66.5-174.7168.900109.4Y239 K240 K245Y239-E247 CarbonylContact C-O 3.58Å; Y239-E247 WeakPolarHBondContact CA-O 3.44Å; K240-E247 PolarHBondContact N-O 3.32Å; K240-E247 PolarHBondContact O-N 2.86Å; K245-E247 PolarHBondContact O-N 2.89Å
248L90.8Very high89.9Confident103 Ų10368.1 Ų68.154%0.53932%0.319SS..EExtended strand (participates in β ladder)trans-108.8131.8178.3-63.4175.3000109.6T238 L246T238-L248 WeakPolarHBondContact O-CA 3.29Å; L246-L248 HydrophobicContact CD2-CD2 4.16Å; L246-L248 HydrophobicContact CD2-CG 4.37Å; L246-L248 HydrophobicContact CG-CD2 4.22Å; L246-L248 HydrophobicContact CG-CG 4.41Å
249T88.9Confident90.1Very high46 Ų4667.5 Ų67.528%0.28232%0.315SS..EExtended strand (participates in β ladder)trans-114.7119.1171.958.40000109.6T180 H237 T238 H251T180-T249 HydrophobicContact CG2-CG2 4.37Å; H237-T249 CarbonylContact C-O 3.34Å; H237-T249 WeakPolarHBondContact CA-O 3.36Å; T238-T249 PolarHBondContact N-O 3.02Å; T238-T249 PolarHBondContact O-N 3.21Å; T238-T249 PolarHBondContact O-OG1 3Å; T249-H251 PolarHBondContact OG1-NE2 3.34Å
250E87.8Confident90.1Very high50 Ų5070.2 Ų70.223%0.23433%0.326CS..EExtended strand (participates in β ladder)trans-77.7133.1173.8-162.5177.9179.700109.8M173 S254M173-E250 HydrophobicContact CE-CB 4.35Å; M173-E250 HydrophobicContact CE-CG 3.79Å; M173-E250 WeakPolarHBondContact CE-OE1 3.4Å; M173-E250 VanDerWaalsContact CE-OE2 3.3Å; M173-E250 WeakPolarHBondContact CE-OE2 3.41Å; E250-S254 PolarHBondContact OE1-OG 3Å
251H83.5Confident90.2Very high19 Ų1965.7 Ų65.79%0.08831%0.306CS..  trans-109.5-8.6177.6-65.8-72000113T180 H236 T238 T249T180-H251 PolarHBondContact OG1-ND1 3.31Å; H236-H251 PolarHBondContact O-N 3.37Å; H236-H251 VanDerWaalsContact O-N 3.14Å; T238-H251 WeakPolarHBondContact CB-NE2 3.5Å; T238-H251 PolarHBondContact OG1-CD2 3.27Å; T238-H251 PolarHBondContact OG1-NE2 3.1Å; T249-H251 PolarHBondContact OG1-NE2 3.34Å
252G73.4Confident90.4Very high0 Ų058 Ų580%028%0.276CS..SBendtrans68.8-174.5-170.800000113.2M184 H236M184-G252 WeakPolarHBondContact CE-O 3.47Å; H236-G252 PolarHBondContact ND1-O 3.2Å
253P87.6Confident90.5Very high1 Ų155.1 Ų55.11%0.00626%0.259CS..  cis-65.1158.6-21.329.8-35.6000111.6F100 E103 L107 F234 F255F100-P253 HydrophobicContact CE2-CB 4.16Å; F100-P253 HydrophobicContact CE2-CG 4.49Å; E103-P253 HydrophobicContact CB-CG 4.28Å; L107-P253 HydrophobicContact CD1-CG 3.86Å; F234-P253 WeakPolarHBondContact CD1-O 3.26Å; F234-P253 VanDerWaalsContact CE1-O 3.32Å; F234-P253 WeakPolarHBondContact CE1-O 3.34Å; P253-F255 HydrophobicContact CB-CD1 4.39Å; P253-F255 HydrophobicContact CG-CD1 4.46Å; P253-F255 HydrophobicContact CG-CE1 4.21Å
254S90.6Very high90.4Very high3 Ų350.9 Ų50.92%0.02123%0.231CC..EExtended strand (participates in β ladder)trans-124.4128.2178.3-68.40000108.9R168 R235 E250R168-S254 PolarHBondContact N-O 3.23Å; R168-S254 PolarHBondContact O-N 3.31Å; R168-S254 VanDerWaalsContact O-N 3.12Å; R235-S254 WeakPolarHBondContact CD-OG 3.37Å; E250-S254 PolarHBondContact OE1-OG 3Å
255F94Very high90.3Very high6 Ų641.2 Ų41.23%0.02619%0.191CC..EExtended strand (participates in β ladder)trans-155.3159.9-177.354.1-94.3000109.8F100 L104 L107 L164 V167 W225 F234 R235 P253 L257F100-F255 HydrophobicContact CE2-CD1 4.3Å; F100-F255 HydrophobicContact CZ-CD1 4.26Å; L104-F255 HydrophobicContact CD2-CE1 4.17Å; L104-F255 HydrophobicContact CD2-CZ 4.43Å; L107-F255 HydrophobicContact CD1-CE1 4.5Å; L164-F255 HydrophobicContact CD2-CB 4.14Å; L164-F255 HydrophobicContact CD2-CD2 3.49Å; L164-F255 VanDerWaalsContact CD2-CD2 3.49Å; L164-F255 HydrophobicContact CD2-CE2 4.11Å; L164-F255 HydrophobicContact CD2-CG 3.94Å; V167-F255 HydrophobicContact CB-CB 4.36Å; V167-F255 HydrophobicContact CG1-CB 4.37Å; V167-F255 HydrophobicContact CG2-CB 3.96Å; W225-F255 HydrophobicContact CZ3-CE2 4.46Å; F234-F255 HydrophobicContact CB-CD2 4Å; F234-F255 HydrophobicContact CB-CE1 4.37Å; F234-F255 HydrophobicContact CB-CE2 3.69Å; F234-F255 HydrophobicContact CB-CG 4.46Å; F234-F255 HydrophobicContact CB-CZ 3.89Å; F234-F255 WeakPolarHBondContact CB-O 3.47Å; F234-F255 AromaticContact CD1-CD1 3.99Å; F234-F255 HydrophobicContact CD1-CD1 3.99Å; F234-F255 AromaticContact CD1-CE1 3.43Å; F234-F255 HydrophobicContact CD1-CE1 3.43Å; F234-F255 VanDerWaalsContact CD1-CE1 3.43Å; F234-F255 HydrophobicContact CD1-CE2 4.26Å; F234-F255 AromaticContact CD1-CZ 3.59Å; F234-F255 HydrophobicContact CD1-CZ 3.59Å; F234-F255 HydrophobicContact CD2-CZ 4.34Å; F234-F255 AromaticContact CE1-CE1 3.96Å; F234-F255 HydrophobicContact CE1-CE1 3.96Å; F234-F255 HydrophobicContact CE1-CZ 4.24Å; F234-F255 HydrophobicContact CG-CE1 4.01Å; F234-F255 HydrophobicContact CG-CE2 4Å; F234-F255 AromaticContact CG-CZ 3.67Å; F234-F255 HydrophobicContact CG-CZ 3.67Å; F234-F255 PolarHBondContact N-O 2.85Å; F234-F255 PolarHBondContact O-N 2.82Å; R235-F255 PolarHBondContact NH1-O 3.22Å; P253-F255 HydrophobicContact CB-CD1 4.39Å; P253-F255 HydrophobicContact CG-CD1 4.46Å; P253-F255 HydrophobicContact CG-CE1 4.21Å; F255-L257 HydrophobicContact CD2-CD1 4.49Å; F255-L257 HydrophobicContact CD2-CD2 3.94Å; F255-L257 HydrophobicContact CD2-CG 3.84Å; F255-L257 HydrophobicContact CE2-CD1 3.92Å; F255-L257 HydrophobicContact CE2-CD2 3.85Å; F255-L257 HydrophobicContact CE2-CG 3.74Å
256D95.3Very high89.9Confident13 Ų1334 Ų347%0.0716%0.16CC..EExtended strand (participates in β ladder)trans-115.6132179-51.2-23000107.8L164 Y165 N166 V231 C233 R235L164-D256 CarbonylContact C-O 3.6Å; L164-D256 WeakPolarHBondContact CA-O 3.24Å; Y165-D256 PolarHBondContact N-O 3.26Å; Y165-D256 PolarHBondContact O-N 3.12Å; N166-D256 WeakPolarHBondContact CB-OD2 3.28Å; N166-D256 PolarHBondContact ND2-OD2 3.4Å; V231-D256 HydrophobicContact CG1-CB 3.7Å; C233-D256 PolarHBondContact SG-OD1 2.76Å; R235-D256 IonicContact CZ-OD1 2.79Å; R235-D256 IonicContact NH1-OD1 2.75Å; R235-D256 PolarHBondContact NH1-OD1 3.47Å; R235-D256 IonicContact NH2-OD1 3.96Å; R235-D256 PolarHBondContact NH2-OD1 3.09Å; R235-D256 VanDerWaalsContact NH2-OD1 3.13Å
257L95.3Very high89.6Confident1 Ų130.5 Ų30.51%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-109.1136.2-176.6-65.6168.4000109.5F162 T163 L164 W225 V231 I232 F255F162-L257 HydrophobicContact CB-CB 4.37Å; F162-L257 HydrophobicContact CB-CD2 3.68Å; F162-L257 HydrophobicContact CD1-CB 4.17Å; F162-L257 HydrophobicContact CG-CD2 4.18Å; T163-L257 CarbonylContact O-C 3.56Å; T163-L257 WeakPolarHBondContact O-CA 3.31Å; L164-L257 HydrophobicContact CD2-CD2 3.3Å; L164-L257 HydrophobicContact CD2-CG 4.35Å; L164-L257 HydrophobicContact CG-CD2 4.18Å; W225-L257 HydrophobicContact CE3-CD1 4.38Å; W225-L257 HydrophobicContact CH2-CD1 4.41Å; W225-L257 HydrophobicContact CZ3-CD1 3.58Å; V231-L257 CarbonylContact C-O 3.55Å; I232-L257 HydrophobicContact CB-CB 4.23Å; I232-L257 PolarHBondContact N-O 3.37Å; I232-L257 PolarHBondContact O-N 2.84Å; F255-L257 HydrophobicContact CD2-CD1 4.49Å; F255-L257 HydrophobicContact CD2-CD2 3.94Å; F255-L257 HydrophobicContact CD2-CG 3.84Å; F255-L257 HydrophobicContact CE2-CD1 3.92Å; F255-L257 HydrophobicContact CE2-CD2 3.85Å; F255-L257 HydrophobicContact CE2-CG 3.74Å
258R94.7Very high89Confident71 Ų7129.3 Ų29.327%0.26814%0.136SC..EExtended strand (participates in β ladder)trans-117.7128.4163.9-170.6-176.8-171.1151.116.6109.4F162 T163 Y165 Y260 Y279F162-R258 CarbonylContact C-O 3.6Å; F162-R258 VanDerWaalsContact CA-O 3.26Å; F162-R258 WeakPolarHBondContact CA-O 3.47Å; T163-R258 PolarHBondContact N-O 3.02Å; T163-R258 PolarHBondContact O-N 3.16Å; T163-R258 PolarHBondContact OG1-O 3.4Å; Y165-R258 HydrophobicContact CD2-CB 4.32Å; Y165-R258 HydrophobicContact CE2-CB 3.7Å; R258-Y260 PolarHBondContact O-N 2.92Å; R258-Y279 PolarHBondContact NH2-OH 3.04Å
259L95.2Very high88.4Confident4 Ų426.3 Ų26.32%0.02112%0.119CC..EExtended strand (participates in β ladder)trans-69.7128175.4-175.973.3000109.8A160 F162 L200 V204 I262 W277A160-L259 HydrophobicContact CB-CD1 4.21Å; F162-L259 HydrophobicContact CD1-CB 4.18Å; F162-L259 HydrophobicContact CD1-CD1 3.88Å; F162-L259 HydrophobicContact CE1-CB 4.11Å; F162-L259 HydrophobicContact CE1-CD1 3.43Å; F162-L259 VanDerWaalsContact CE1-CD1 3.43Å; F162-L259 HydrophobicContact CE1-CG 4.38Å; F162-L259 HydrophobicContact CZ-CD1 3.81Å; L200-L259 HydrophobicContact CD1-CD2 4.17Å; L200-L259 HydrophobicContact CD2-CD2 4.14Å; L200-L259 HydrophobicContact CG-CD2 4.28Å; V204-L259 HydrophobicContact CG2-CD1 4.37Å; V204-L259 HydrophobicContact CG2-CD2 3.76Å; L259-I262 HydrophobicContact CD1-CD1 3.91Å; L259-I262 HydrophobicContact CD1-CG1 3.66Å; L259-I262 HydrophobicContact CD2-CD1 3.62Å; L259-I262 HydrophobicContact CD2-CG1 3.9Å; L259-I262 HydrophobicContact CG-CD1 4.34Å; L259-I262 HydrophobicContact CG-CG1 4.21Å; L259-W277 HydrophobicContact CB-CZ3 4.08Å; L259-W277 HydrophobicContact CD2-CD2 4.28Å; L259-W277 HydrophobicContact CD2-CE3 3.49Å; L259-W277 VanDerWaalsContact CD2-CE3 3.49Å; L259-W277 HydrophobicContact CD2-CH2 4.21Å; L259-W277 HydrophobicContact CD2-CZ3 3.46Å; L259-W277 VanDerWaalsContact CD2-CZ3 3.46Å; L259-W277 HydrophobicContact CG-CE3 3.95Å; L259-W277 HydrophobicContact CG-CH2 4.46Å; L259-W277 HydrophobicContact CG-CZ3 3.58Å; L259-W277 WeakPolarHBondContact O-CZ3 3.25Å
260Y93.2Very high87.9Confident107 Ų10728.1 Ų28.142%0.4212%0.124SC..EExtended strand (participates in β ladder)trans-104.9-44.8176.1179.1-107.9000112.4I161 R258 Y279I161-Y260 HydrophobicContact CG2-CD1 4.49Å; I161-Y260 PolarHBondContact O-N 3.09Å; R258-Y260 PolarHBondContact O-N 2.92Å; Y260-Y279 HydrophobicContact CD2-CD1 4.49Å; Y260-Y279 WeakPolarHBondContact O-CB 3.48Å; Y260-Y279 PolarHBondContact O-N 3.29Å
261K93.9Very high87.4Confident26 Ų2630.7 Ų30.711%0.11315%0.154CC..EExtended strand (participates in β ladder)trans-155.3138.8-173.4-176.8177.9174.5-171.90111.1A160 I161 W263 E270 W277 V278A160-K261 WeakPolarHBondContact CA-O 3.35Å; I161-K261 PolarHBondContact N-O 3.43Å; I161-K261 PolarHBondContact O-N 3.38Å; K261-W263 HydrophobicContact CD-CE3 3.87Å; K261-W263 HydrophobicContact CD-CZ3 3.97Å; K261-W263 HydrophobicContact CG-CE3 3.79Å; K261-W263 HydrophobicContact CG-CZ3 4.07Å; K261-E270 IonicContact NZ-OE1 3.89Å; K261-E270 PolarHBondContact NZ-OE1 2.89Å; K261-W277 CarbonylContact C-O 3.52Å; K261-W277 WeakPolarHBondContact CA-O 3.41Å; K261-V278 HydrophobicContact CB-CG2 4.32Å; K261-V278 HydrophobicContact CD-CG2 4.08Å; K261-V278 HydrophobicContact CG-CG2 3.67Å
262I93.9Very high87.3Confident0 Ų034.9 Ų34.90%018%0.181CC..EExtended strand (participates in β ladder)trans-124.8130.7168-56.8-177.3000108P158 T159 A160 L200 V204 I207 L259 E276 W277P158-I262 HydrophobicContact CB-CG2 4.28Å; T159-I262 WeakPolarHBondContact O-CA 3.47Å; A160-I262 HydrophobicContact CB-CG1 4.16Å; L200-I262 HydrophobicContact CD1-CD1 3.92Å; V204-I262 HydrophobicContact CG2-CD1 3.95Å; I207-I262 HydrophobicContact CD1-CD1 4.45Å; L259-I262 HydrophobicContact CD1-CD1 3.91Å; L259-I262 HydrophobicContact CD1-CG1 3.66Å; L259-I262 HydrophobicContact CD2-CD1 3.62Å; L259-I262 HydrophobicContact CD2-CG1 3.9Å; L259-I262 HydrophobicContact CG-CD1 4.34Å; L259-I262 HydrophobicContact CG-CG1 4.21Å; I262-E276 HydrophobicContact CB-CB 4.37Å; I262-E276 HydrophobicContact CG2-CB 4.07Å; I262-E276 HydrophobicContact CG2-CG 4.39Å; I262-E276 PolarHBondContact O-N 2.94Å; I262-W277 PolarHBondContact N-O 2.99Å; I262-W277 PolarHBondContact O-N 2.9Å
263W92.7Very high87.7Confident0 Ų035.4 Ų35.40%019%0.185CC..EExtended strand (participates in β ladder)trans-133.8158.8167.568.389000110.6P158 T159 I161 K261 G265 L267 E270 A273 D274 I275P158-W263 CarbonylContact C-O 3.6Å; P158-W263 WeakPolarHBondContact CA-O 3.48Å; T159-W263 VanDerWaalsContact CB-CE2 3.48Å; T159-W263 HydrophobicContact CG2-CH2 3.48Å; T159-W263 VanDerWaalsContact CG2-CH2 3.48Å; T159-W263 HydrophobicContact CG2-CZ2 3.3Å; T159-W263 HydrophobicContact CG2-CZ3 4.18Å; T159-W263 PolarHBondContact N-O 2.89Å; T159-W263 PolarHBondContact O-N 2.92Å; T159-W263 VanDerWaalsContact O-N 3.1Å; I161-W263 HydrophobicContact CD1-CH2 3.55Å; I161-W263 HydrophobicContact CD1-CZ3 3.41Å; I161-W263 VanDerWaalsContact CD1-CZ3 3.41Å; I161-W263 HydrophobicContact CG1-CH2 3.71Å; I161-W263 HydrophobicContact CG1-CZ3 3.55Å; K261-W263 HydrophobicContact CD-CE3 3.87Å; K261-W263 HydrophobicContact CD-CZ3 3.97Å; K261-W263 HydrophobicContact CG-CE3 3.79Å; K261-W263 HydrophobicContact CG-CZ3 4.07Å; W263-G265 PolarHBondContact NE1-O 3.2Å; W263-G265 PolarHBondContact O-N 3.22Å; W263-L267 HydrophobicContact CH2-CD1 4.21Å; W263-L267 HydrophobicContact CZ2-CD1 3.95Å; W263-E270 HydrophobicContact CH2-CG 4.37Å; W263-E270 HydrophobicContact CZ2-CB 4.22Å; W263-E270 HydrophobicContact CZ2-CG 4.12Å; W263-A273 HydrophobicContact CB-CB 4.41Å; W263-A273 VanDerWaalsContact CD1-CB 3.41Å; W263-A273 HydrophobicContact CG-CB 4.18Å; W263-D274 WeakPolarHBondContact CA-O 3.38Å; W263-D274 WeakPolarHBondContact CB-O 3.47Å; W263-I275 HydrophobicContact CB-CG1 4.46Å
264R87.1Confident87.6Confident61 Ų6140.4 Ų40.423%0.2321%0.212CC..EExtended strand (participates in β ladder)trans-96.994.1-175.2-61.4-176.6178.7179.9-13.5109.3R16 A273 D274 E276R16-R264 VanDerWaalsContact NH2-CD 3.32Å; R264-A273 WeakPolarHBondContact O-CB 3.34Å; R264-D274 PolarHBondContact N-O 2.86Å; R264-E276 HydrophobicContact CG-CB 4.17Å; R264-E276 WeakPolarHBondContact CG-OE2 3.35Å; R264-E276 IonicContact CZ-OE1 3.14Å; R264-E276 IonicContact CZ-OE2 3.94Å; R264-E276 IonicContact NE-OE1 3.11Å; R264-E276 IonicContact NE-OE2 2.81Å; R264-E276 PolarHBondContact NE-OE2 3.01Å; R264-E276 IonicContact NH2-OE1 2.83Å; R264-E276 PolarHBondContact NH2-OE1 2.67Å; R264-E276 IonicContact NH2-OE2 3.45Å
265G85.4Confident87.7Confident4 Ų444.8 Ų44.84%0.04123%0.234CC..SBendtrans153.6165178.900000112.9G157 T159 W263G157-G265 CarbonylContact O-C 3.59Å; G157-G265 WeakPolarHBondContact O-CA 3.44Å; G157-G265 PolarHBondContact O-N 3.04Å; G157-G265 VanDerWaalsContact O-N 3.17Å; T159-G265 PolarHBondContact OG1-O 2.67Å; W263-G265 PolarHBondContact NE1-O 3.2Å; W263-G265 PolarHBondContact O-N 3.22Å
266P82.7Confident87.5Confident5 Ų547.1 Ų47.13%0.03225%0.245CC..  trans-68.2158.7-179.429.9-35.3000111.7L154 H268 E269L154-P266 HydrophobicContact CD2-CB 4.23Å; P266-H268 PolarHBondContact O-N 3.36Å; P266-H268 VanDerWaalsContact O-N 3.07Å; P266-E269 HydrophobicContact CG-CB 4.35Å; P266-E269 PolarHBondContact O-N 3.09Å
267L83.5Confident87.4Confident16 Ų1648.6 Ų48.68%0.08425%0.25CC..G310 helixtrans-55.2-30.6-174.3177.567.6000115.1L125 I138 I150 S152 T159 W263 E269L125-L267 HydrophobicContact CD1-CB 4.1Å; I138-L267 HydrophobicContact CD1-CD2 3.25Å; I138-L267 HydrophobicContact CG1-CD2 4.16Å; I150-L267 HydrophobicContact CD1-CD1 4.46Å; I150-L267 HydrophobicContact CG2-CD1 4.02Å; S152-L267 PolarHBondContact OG-N 2.92Å; T159-L267 HydrophobicContact CG2-CD1 4.41Å; W263-L267 HydrophobicContact CH2-CD1 4.21Å; W263-L267 HydrophobicContact CZ2-CD1 3.95Å; L267-E269 PolarHBondContact O-N 3.49Å
268H80Confident87.3Confident80 Ų8050.5 Ų50.537%0.3726%0.261SS..G310 helixtrans-73.2-13.4-179.766.858000114.1L125 P266L125-H268 HydrophobicContact CD1-CB 3.77Å; L125-H268 VanDerWaalsContact CD1-CD2 3.49Å; L125-H268 WeakPolarHBondContact CD1-CD2 3.46Å; P266-H268 PolarHBondContact O-N 3.36Å; P266-H268 VanDerWaalsContact O-N 3.07Å
269E78.2Confident87.2Confident39 Ų3948.8 Ų48.818%0.18226%0.255CS..G310 helixtrans-105.916.4-172.2-103.4170.5-160.600112.7R9 P266 L267 A271 T272 A273R9-E269 IonicContact CZ-OE1 3.11Å; R9-E269 IonicContact CZ-OE2 2.9Å; R9-E269 IonicContact NE-OE1 2.62Å; R9-E269 IonicContact NE-OE2 3.51Å; R9-E269 PolarHBondContact NE-OE2 3.47Å; R9-E269 VanDerWaalsContact NE-OE2 3.14Å; R9-E269 IonicContact NH1-OE1 2.96Å; R9-E269 PolarHBondContact NH1-OE1 3.01Å; R9-E269 IonicContact NH1-OE2 3.09Å; R9-E269 PolarHBondContact NH1-OE2 2.89Å; R9-E269 VanDerWaalsContact NH1-OE2 3.08Å; R9-E269 IonicContact NH2-OE2 3.37Å; R9-E269 PolarHBondContact NH2-OE2 3.3Å; R9-E269 VanDerWaalsContact NH2-OE2 3.11Å; P266-E269 HydrophobicContact CG-CB 4.35Å; P266-E269 PolarHBondContact O-N 3.09Å; L267-E269 PolarHBondContact O-N 3.49Å; E269-A271 PolarHBondContact O-N 2.9Å; E269-T272 PolarHBondContact O-N 3.18Å; E269-A273 WeakPolarHBondContact O-CB 3.18Å; E269-A273 PolarHBondContact O-N 2.78Å
270E77.7Confident87.1Confident84 Ų8455.7 Ų55.739%0.39328%0.281SS..THydrogen-bonded Turntrans-49.9-36.8-174.4-173.5-178.6-177.800113.8K261 W263 T272K261-E270 IonicContact NZ-OE1 3.89Å; K261-E270 PolarHBondContact NZ-OE1 2.89Å; W263-E270 HydrophobicContact CH2-CG 4.37Å; W263-E270 HydrophobicContact CZ2-CB 4.22Å; W263-E270 HydrophobicContact CZ2-CG 4.12Å; E270-T272 VanDerWaalsContact C-N 3.34Å; E270-T272 PolarHBondContact O-N 3.32Å
271A77.6Confident86.9Confident105 Ų10553.6 Ų53.687%0.86828%0.28SS*.THydrogen-bonded Turntrans-74.1-21.3-178.500000114.4E269E269-A271 PolarHBondContact O-N 2.9Å
272T80.3Confident86.8Confident107 Ų10763 Ų6366%0.65632%0.316SS*.THydrogen-bonded Turntrans-112.7-18.3-174.7-47.40000112.2E269 E270E269-T272 PolarHBondContact O-N 3.18Å; E270-T272 VanDerWaalsContact C-N 3.34Å; E270-T272 PolarHBondContact O-N 3.32Å
273A82.8Confident86.7Confident10 Ų1067.2 Ų67.28%0.08334%0.337CS..SBendtrans-74.2143.1-178.100000112.2W263 R264 E269 I275W263-A273 HydrophobicContact CB-CB 4.41Å; W263-A273 VanDerWaalsContact CD1-CB 3.41Å; W263-A273 HydrophobicContact CG-CB 4.18Å; R264-A273 WeakPolarHBondContact O-CB 3.34Å; E269-A273 WeakPolarHBondContact O-CB 3.18Å; E269-A273 PolarHBondContact O-N 2.78Å; A273-I275 PolarHBondContact O-N 3.49Å
274D86.2Confident86.6Confident107 Ų10774.2 Ų74.257%0.57238%0.375SS*.EExtended strand (participates in β ladder)trans-67.2125175.3-63.2-32.3000110W263 R264 E276W263-D274 WeakPolarHBondContact CA-O 3.38Å; W263-D274 WeakPolarHBondContact CB-O 3.47Å; R264-D274 PolarHBondContact N-O 2.86Å; D274-E276 PolarHBondContact O-N 2.77Å
275I91.5Very high86.7Confident95 Ų9574.4 Ų74.449%0.48738%0.383SS..EExtended strand (participates in β ladder)trans-77.6120.2176.5-62.9175.7000108.2W263 A273 V278W263-I275 HydrophobicContact CB-CG1 4.46Å; A273-I275 PolarHBondContact O-N 3.49Å; I275-V278 HydrophobicContact CG2-CB 4.45Å; I275-V278 HydrophobicContact CG2-CG2 3.34Å
276E89.7Confident86.8Confident54 Ų5474.6 Ų74.625%0.25238%0.383SS..EExtended strand (participates in β ladder)trans-82.2-45.1176.9175.3164.5-16500110.9R203 I262 R264 D274R203-E276 IonicContact NE-OE1 3.08Å; R203-E276 IonicContact NE-OE2 3.99Å; R203-E276 IonicContact NH2-OE2 3.06Å; I262-E276 HydrophobicContact CB-CB 4.37Å; I262-E276 HydrophobicContact CG2-CB 4.07Å; I262-E276 HydrophobicContact CG2-CG 4.39Å; I262-E276 PolarHBondContact O-N 2.94Å; R264-E276 HydrophobicContact CG-CB 4.17Å; R264-E276 WeakPolarHBondContact CG-OE2 3.35Å; R264-E276 IonicContact CZ-OE1 3.14Å; R264-E276 IonicContact CZ-OE2 3.94Å; R264-E276 IonicContact NE-OE1 3.11Å; R264-E276 IonicContact NE-OE2 2.81Å; R264-E276 PolarHBondContact NE-OE2 3.01Å; R264-E276 IonicContact NH2-OE1 2.83Å; R264-E276 PolarHBondContact NH2-OE1 2.67Å; R264-E276 IonicContact NH2-OE2 3.45Å; D274-E276 PolarHBondContact O-N 2.77Å
277W93.2Very high86.8Confident45 Ų4582 Ų8217%0.1742%0.415CS..EExtended strand (participates in β ladder)trans-154.3143.9179.2-175.290.2000111.6L200 L259 K261 I262 Y279 F291L200-W277 HydrophobicContact CD1-CB 3.89Å; L200-W277 HydrophobicContact CD1-CD2 4.28Å; L200-W277 HydrophobicContact CD1-CG 3.88Å; L200-W277 HydrophobicContact CD2-CD2 3.69Å; L200-W277 VanDerWaalsContact CD2-CE2 3.48Å; L200-W277 HydrophobicContact CD2-CE3 4.34Å; L200-W277 HydrophobicContact CD2-CG 3.87Å; L200-W277 HydrophobicContact CD2-CZ2 3.95Å; L259-W277 HydrophobicContact CB-CZ3 4.08Å; L259-W277 HydrophobicContact CD2-CD2 4.28Å; L259-W277 HydrophobicContact CD2-CE3 3.49Å; L259-W277 VanDerWaalsContact CD2-CE3 3.49Å; L259-W277 HydrophobicContact CD2-CH2 4.21Å; L259-W277 HydrophobicContact CD2-CZ3 3.46Å; L259-W277 VanDerWaalsContact CD2-CZ3 3.46Å; L259-W277 HydrophobicContact CG-CE3 3.95Å; L259-W277 HydrophobicContact CG-CH2 4.46Å; L259-W277 HydrophobicContact CG-CZ3 3.58Å; L259-W277 WeakPolarHBondContact O-CZ3 3.25Å; K261-W277 CarbonylContact C-O 3.52Å; K261-W277 WeakPolarHBondContact CA-O 3.41Å; I262-W277 PolarHBondContact N-O 2.99Å; I262-W277 PolarHBondContact O-N 2.9Å; W277-Y279 AromaticContact CH2-CD2 3.98Å; W277-Y279 HydrophobicContact CH2-CD2 3.98Å; W277-Y279 HydrophobicContact CH2-CG 4.28Å; W277-Y279 HydrophobicContact CZ2-CD2 4.39Å; W277-F291 HydrophobicContact CZ2-CB 4.04Å; W277-F291 HydrophobicContact CZ2-CD1 4.03Å; W277-F291 AromaticContact CZ2-CD2 3.93Å; W277-F291 HydrophobicContact CZ2-CD2 3.93Å; W277-F291 HydrophobicContact CZ2-CE1 4.46Å; W277-F291 HydrophobicContact CZ2-CE2 4.39Å; W277-F291 AromaticContact CZ2-CG 3.74Å; W277-F291 HydrophobicContact CZ2-CG 3.74Å; W277-F291 AromaticContact NE1-CD1 3.85Å
278V93.6Very high87Confident40 Ų4088.7 Ų88.724%0.24244%0.444CS..EExtended strand (participates in β ladder)trans-138.3134.5174.8168.60000108.8K261 I275 R280K261-V278 HydrophobicContact CB-CG2 4.32Å; K261-V278 HydrophobicContact CD-CG2 4.08Å; K261-V278 HydrophobicContact CG-CG2 3.67Å; I275-V278 HydrophobicContact CG2-CB 4.45Å; I275-V278 HydrophobicContact CG2-CG2 3.34Å; V278-R280 HydrophobicContact CG1-CG 4.25Å; V278-R280 PolarHBondContact O-N 3.38Å
279Y92.7Very high87.2Confident35 Ų3591.8 Ų91.814%0.13745%0.452CS..  trans-70.3118.7168.7-174.4-108.5000110.3R258 Y260 W277 P281 T286 F291R258-Y279 PolarHBondContact NH2-OH 3.04Å; Y260-Y279 HydrophobicContact CD2-CD1 4.49Å; Y260-Y279 WeakPolarHBondContact O-CB 3.48Å; Y260-Y279 PolarHBondContact O-N 3.29Å; W277-Y279 AromaticContact CH2-CD2 3.98Å; W277-Y279 HydrophobicContact CH2-CD2 3.98Å; W277-Y279 HydrophobicContact CH2-CG 4.28Å; W277-Y279 HydrophobicContact CZ2-CD2 4.39Å; Y279-P281 HydrophobicContact CD1-CB 4.45Å; Y279-P281 HydrophobicContact CE1-CB 3.83Å; Y279-P281 HydrophobicContact CE1-CG 4.37Å; Y279-P281 VanDerWaalsContact O-CD 3.25Å; Y279-P281 WeakPolarHBondContact O-CD 3.44Å; Y279-T286 HydrophobicContact CD2-CG2 4.38Å; Y279-T286 HydrophobicContact CE2-CG2 3.52Å; Y279-F291 HydrophobicContact CD2-CE2 4.26Å; Y279-F291 HydrophobicContact CE2-CE2 4.14Å
280R92.3Very high87.6Confident150 Ų15094.6 Ų94.657%0.56647%0.465SS*.  trans-110.989-177.3-64.5-174-177.5-146.43.4110.5V278 Y282 M283 T286V278-R280 HydrophobicContact CG1-CG 4.25Å; V278-R280 PolarHBondContact O-N 3.38Å; R280-Y282 VanDerWaalsContact C-N 3.29Å; R280-Y282 PolarHBondContact O-N 3.08Å; R280-M283 HydrophobicContact CB-CE 4.42Å; R280-M283 HydrophobicContact CB-CG 4.13Å; R280-M283 HydrophobicContact CB-SD 3.87Å; R280-M283 HydrophobicContact CG-SD 4.47Å; R280-T286 WeakPolarHBondContact O-CB 3.36Å; R280-T286 WeakPolarHBondContact O-CG2 3.16Å; R280-T286 PolarHBondContact O-OG1 3.03Å
281P90.3Very high88.1Confident62 Ų6292.8 Ų92.840%0.40346%0.456SS..THydrogen-bonded Turntrans-65.4-29.6-174.123.2-32.7000113.8Y279 M283Y279-P281 HydrophobicContact CD1-CB 4.45Å; Y279-P281 HydrophobicContact CE1-CB 3.83Å; Y279-P281 HydrophobicContact CE1-CG 4.37Å; Y279-P281 VanDerWaalsContact O-CD 3.25Å; Y279-P281 WeakPolarHBondContact O-CD 3.44Å; P281-M283 VanDerWaalsContact C-N 3.3Å; P281-M283 PolarHBondContact O-N 3.23Å
282Y91.1Very high88.5Confident223 Ų22388 Ų8888%0.87542%0.416SS*.THydrogen-bonded Turntrans-84.89-172.4-53.6-67000114.8R280R280-Y282 VanDerWaalsContact C-N 3.29Å; R280-Y282 PolarHBondContact O-N 3.08Å
283M92.6Very high88.8Confident89 Ų8983.7 Ų83.744%0.43839%0.39SS..SBendtrans-89.7137.8172.2-60.5174.8156.500110.3R280 P281 T285 T286R280-M283 HydrophobicContact CB-CE 4.42Å; R280-M283 HydrophobicContact CB-CG 4.13Å; R280-M283 HydrophobicContact CB-SD 3.87Å; R280-M283 HydrophobicContact CG-SD 4.47Å; P281-M283 VanDerWaalsContact C-N 3.3Å; P281-M283 PolarHBondContact O-N 3.23Å; M283-T285 PolarHBondContact O-N 2.93Å; M283-T286 WeakPolarHBondContact CB-OG1 3.19Å; M283-T286 PolarHBondContact O-N 2.89Å; M283-T286 VanDerWaalsContact O-N 3.07Å; M283-T286 PolarHBondContact O-OG1 3.27Å
284N90.3Very high88.7Confident147 Ų14788.6 Ų88.679%0.78641%0.411SS*.THydrogen-bonded Turntrans-56.9-23.8-175.6-68.1-10.3000114.8F287N284-F287 WeakPolarHBondContact O-CD1 3.27Å; N284-F287 WeakPolarHBondContact O-CE1 3.48Å
285T90Very high88Confident66 Ų6688.9 Ų88.941%0.40542%0.419SS..THydrogen-bonded Turntrans-103.5-4.3-177.1530000113.5M283 F287 K288 R289M283-T285 PolarHBondContact O-N 2.93Å; T285-F287 VanDerWaalsContact C-N 3.33Å; T285-F287 PolarHBondContact O-N 3.19Å; T285-K288 PolarHBondContact O-N 3.45Å; T285-R289 PolarHBondContact O-N 3.49Å
286T85.7Confident86.6Confident7 Ų789.2 Ų89.24%0.04343%0.43CS..G310 helixtrans-59.8-42.6-173.7-63.90000112.2Y279 R280 M283 K288 R289 F291Y279-T286 HydrophobicContact CD2-CG2 4.38Å; Y279-T286 HydrophobicContact CE2-CG2 3.52Å; R280-T286 WeakPolarHBondContact O-CB 3.36Å; R280-T286 WeakPolarHBondContact O-CG2 3.16Å; R280-T286 PolarHBondContact O-OG1 3.03Å; M283-T286 WeakPolarHBondContact CB-OG1 3.19Å; M283-T286 PolarHBondContact O-N 2.89Å; M283-T286 VanDerWaalsContact O-N 3.07Å; M283-T286 PolarHBondContact O-OG1 3.27Å; T286-K288 PolarHBondContact O-N 3.12Å; T286-K288 VanDerWaalsContact O-N 3.14Å; T286-R289 PolarHBondContact O-N 3.44Å; T286-F291 HydrophobicContact CG2-CE2 4.21Å; T286-F291 HydrophobicContact CG2-CZ 4.39Å
287F83.8Confident84.9Confident160 Ų16091.7 Ų91.770%0.70245%0.453SS*.G310 helixtrans-66.6-15.1-179.371.6-94000114.1N284 T285N284-F287 WeakPolarHBondContact O-CD1 3.27Å; N284-F287 WeakPolarHBondContact O-CE1 3.48Å; T285-F287 VanDerWaalsContact C-N 3.33Å; T285-F287 PolarHBondContact O-N 3.19Å
288K86.5Confident82.3Confident157 Ų15799 Ų9968%0.68351%0.507SS*.G310 helixtrans-95.9-15.3178.8-59-172.3-179.6-175.90112.9T285 T286T285-K288 PolarHBondContact O-N 3.45Å; T286-K288 PolarHBondContact O-N 3.12Å; T286-K288 VanDerWaalsContact O-N 3.14Å
289R85.1Confident81.8Confident145 Ų145102 Ų10255%0.54752%0.52SS..  trans-93.1130.2-174.9-71.3-179.4176.7-167.9-2.1109T285 T286 F291T285-R289 PolarHBondContact O-N 3.49Å; T286-R289 PolarHBondContact O-N 3.44Å; R289-F291 HydrophobicContact CB-CE1 4.22Å; R289-F291 HydrophobicContact CB-CE2 4.16Å; R289-F291 HydrophobicContact CB-CZ 3.91Å
290Q86.3Confident81.2Confident99 Ų99105.5 Ų105.546%0.46354%0.54SS..  trans-92.9127.1161.5-71.8173.9-22.100107.5D230D230-Q290 WeakPolarHBondContact OD2-CA 3.39Å
291F88.3Confident80.6Confident46 Ų46103.1 Ų103.120%0.20254%0.539CS..SBendtrans-100.4-32.1-176.7-63.7-77.4000112.5S198 L200 D230 W277 Y279 T286 R289S198-F291 WeakPolarHBondContact CB-O 3.44Å; S198-F291 PolarHBondContact OG-O 3.34Å; L200-F291 HydrophobicContact CD2-CB 4.01Å; D230-F291 VanDerWaalsContact CG-N 3.28Å; D230-F291 PolarHBondContact OD1-N 3.46Å; D230-F291 VanDerWaalsContact OD2-CD2 3.29Å; D230-F291 WeakPolarHBondContact OD2-CD2 3.33Å; D230-F291 PolarHBondContact OD2-N 3.24Å; W277-F291 HydrophobicContact CZ2-CB 4.04Å; W277-F291 HydrophobicContact CZ2-CD1 4.03Å; W277-F291 AromaticContact CZ2-CD2 3.93Å; W277-F291 HydrophobicContact CZ2-CD2 3.93Å; W277-F291 HydrophobicContact CZ2-CE1 4.46Å; W277-F291 HydrophobicContact CZ2-CE2 4.39Å; W277-F291 AromaticContact CZ2-CG 3.74Å; W277-F291 HydrophobicContact CZ2-CG 3.74Å; W277-F291 AromaticContact NE1-CD1 3.85Å; Y279-F291 HydrophobicContact CD2-CE2 4.26Å; Y279-F291 HydrophobicContact CE2-CE2 4.14Å; T286-F291 HydrophobicContact CG2-CE2 4.21Å; T286-F291 HydrophobicContact CG2-CZ 4.39Å; R289-F291 HydrophobicContact CB-CE1 4.22Å; R289-F291 HydrophobicContact CB-CE2 4.16Å; R289-F291 HydrophobicContact CB-CZ 3.91Å
292L86.8Confident80Confident3 Ų3105.5 Ų105.52%0.01655%0.547CS..SBendtrans-92.7-33.8-172.5-65.9-179.5000113.1L196 N197 S198 L200 V204 E227 D230 I232L196-L292 CarbonylContact C-O 3.51Å; L196-L292 VanDerWaalsContact CA-O 3.28Å; L196-L292 WeakPolarHBondContact CA-O 3.27Å; L196-L292 HydrophobicContact CD2-CB 3.89Å; L196-L292 HydrophobicContact CD2-CD1 4.04Å; L196-L292 HydrophobicContact CD2-CD2 4.26Å; L196-L292 HydrophobicContact CD2-CG 4.3Å; N197-L292 PolarHBondContact N-O 2.54Å; S198-L292 WeakPolarHBondContact CB-O 3.42Å; S198-L292 PolarHBondContact N-O 2.97Å; S198-L292 PolarHBondContact OG-O 3.1Å; S198-L292 VanDerWaalsContact OG-O 3.1Å; L200-L292 HydrophobicContact CD2-CD2 4.23Å; L200-L292 HydrophobicContact CG-CD2 4.25Å; V204-L292 HydrophobicContact CG2-CD2 4.2Å; E227-L292 HydrophobicContact CG-CB 4.02Å; E227-L292 HydrophobicContact CG-CD1 4.14Å; D230-L292 WeakPolarHBondContact OD1-CB 3.46Å; D230-L292 PolarHBondContact OD1-N 3.31Å; I232-L292 HydrophobicContact CD1-CD1 3.85Å; I232-L292 HydrophobicContact CG1-CD1 3.66Å
293S85.4Confident79.3Confident17 Ų1798.1 Ų98.112%0.11953%0.526CS..  trans-109.6138.9174.943.70000111.2E227E227-S293 PolarHBondContact OE1-OG 3.09Å; E227-S293 VanDerWaalsContact OE1-OG 3.07Å; E227-S293 WeakPolarHBondContact OE2-CB 3.46Å; E227-S293 PolarHBondContact OE2-OG 2.69Å
294E80.3Confident78.4Confident113 Ų11398.7 Ų98.753%0.52853%0.532SS..PPolyproline II helixtrans-100.5136.5161.4-73.6173.8-162.700106.8S296E294-S296 PolarHBondContact O-N 3.43Å
295P71.7Confident77.6Confident113 Ų11395.3 Ų95.373%0.73451%0.514SS*.PPolyproline II helixtrans-57.6120.2172.124.5-31.5000107S297P295-S297 PolarHBondContact O-N 3.35Å
296S63Low76.6Confident103 Ų10397.5 Ų97.572%0.7252%0.522SS*.PPolyproline II helixtrans-53.8117.5172.6520000107.1E294E294-S296 PolarHBondContact O-N 3.43Å
297S53.6Low75.9Confident105 Ų105105.1 Ų105.173%0.73456%0.562SS**PPolyproline II helixtrans-50.2131.3170.4520000108.2P295P295-S297 PolarHBondContact O-N 3.35Å
298P39.6Very low75.1Confident200 Ų200100.1 Ų100.1100%1.29955%0.549SS*.  trans-59.40178.426.9-35000112.3

Retrieved 298 of 298 residues in 254.3 ms (Link to these results)

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