A0A096N045_PAPAN Loading...

Dual specificity protein phosphatase

AlphaFold DB (A0A2K5KMU3), UniProt , Accession A0A096N045, Species PAPAN (Papio anubis, Olive baboon), Gene DUSP9, Length 384 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
1M49.5Very low81.4Confident152 Ų15263.2 Ų63.275%0.74934%0.341SS*.  059.30-84.5-173.3-92.700109.7L4M1-L4 HydrophobicContact CB-CD1 3.89Å; M1-L4 HydrophobicContact CB-CG 4.37Å; M1-L4 HydrophobicContact CG-CD1 3.91Å; M1-L4 HydrophobicContact SD-CD1 3.38Å; M1-L4 WeakPolarHBondContact SD-CD1 3.43Å
2E44.8Very low82.1Confident201 Ų20168 Ų6894%0.93935%0.351SS*.THydrogen-bonded Turntrans-68.6134.5174.7-67.3-179.5152.300109.3
3G72.6Confident82.7Confident59 Ų5976.3 Ų76.361%0.60838%0.375SS*.THydrogen-bonded Turntrans96.14.4173.700000117.9R6G3-R6 PolarHBondContact O-NH1 3.4Å
4L86.5Confident83.1Confident15 Ų1574.9 Ų74.98%0.07937%0.367CS..  trans-84.5-20.9173.8-63.3-175.9000114.2M1 L110 Y121 Y122M1-L4 HydrophobicContact CB-CD1 3.89Å; M1-L4 HydrophobicContact CB-CG 4.37Å; M1-L4 HydrophobicContact CG-CD1 3.91Å; M1-L4 HydrophobicContact SD-CD1 3.38Å; M1-L4 WeakPolarHBondContact SD-CD1 3.43Å; L4-L110 HydrophobicContact CD1-CD2 4.12Å; L4-Y121 WeakPolarHBondContact O-CA 3.48Å; L4-Y122 VanDerWaalsContact C-CE1 3.44Å; L4-Y122 HydrophobicContact CB-CD1 3.95Å; L4-Y122 HydrophobicContact CB-CE1 3.83Å; L4-Y122 PolarHBondContact O-N 3.11Å
5G88.5Confident83.3Confident10 Ų1071.3 Ų71.310%0.10335%0.35CS..EExtended strand (participates in β ladder)trans-73.1140.5-179.500000111.6
6R92.1Very high83.3Confident52 Ų5270.4 Ų70.420%0.19635%0.353CS..EExtended strand (participates in β ladder)trans-120.2134172.9-64.2-63179-98.57.4110G3 W10 L79 Y121 Y122 Q124G3-R6 PolarHBondContact O-NH1 3.4Å; R6-W10 HydrophobicContact CB-CB 4.39Å; R6-W10 HydrophobicContact CB-CD2 3.81Å; R6-W10 HydrophobicContact CB-CE3 3.38Å; R6-W10 HydrophobicContact CB-CG 4.25Å; R6-W10 HydrophobicContact CB-CZ3 3.89Å; R6-W10 VanDerWaalsContact CD-CD2 3.44Å; R6-W10 HydrophobicContact CG-CD2 3.73Å; R6-W10 HydrophobicContact CG-CE3 3.51Å; R6-W10 HydrophobicContact CG-CG 4.39Å; R6-W10 HydrophobicContact CG-CH2 4.02Å; R6-W10 HydrophobicContact CG-CZ2 4.23Å; R6-W10 HydrophobicContact CG-CZ3 3.67Å; R6-L79 HydrophobicContact CB-CD1 4.03Å; R6-L79 HydrophobicContact CG-CD1 4.13Å; R6-Y121 HydrophobicContact CG-CD1 4.44Å; R6-Y121 HydrophobicContact CG-CG 4.1Å; R6-Y121 VanDerWaalsContact CZ-CD1 3.49Å; R6-Y122 PolarHBondContact N-O 2.85Å; R6-Q124 WeakPolarHBondContact O-CB 3.35Å; R6-Q124 PolarHBondContact O-N 3.35Å
7S92.6Very high83Confident48 Ų4873.1 Ų73.134%0.33638%0.376SS..  trans-73.3161.417863.70000111L9 W10 L11S7-L9 PolarHBondContact O-N 3.22Å; S7-W10 WeakPolarHBondContact O-CB 3.41Å; S7-W10 PolarHBondContact O-N 3.28Å; S7-W10 VanDerWaalsContact O-N 3.09Å; S7-W10 PolarHBondContact OG-N 3.1Å; S7-L11 PolarHBondContact O-N 3.06Å; S7-L11 VanDerWaalsContact O-N 3.09Å
8C91.7Very high82.1Confident2 Ų275.9 Ų75.91%0.01440%0.4CS..Hα-helixtrans-58.3-36.8173.4-61.40000111.6W10 L11 R12 F130 E133C8-W10 PolarHBondContact O-N 3.47Å; C8-L11 PolarHBondContact O-N 3.3Å; C8-R12 WeakPolarHBondContact O-CB 3.31Å; C8-R12 PolarHBondContact O-N 3.35Å; C8-F130 HydrophobicContact CB-CD2 3.77Å; C8-F130 HydrophobicContact CB-CE2 4.44Å; C8-F130 VanDerWaalsContact SG-CA 3.58Å; C8-E133 HydrophobicContact CB-CB 4.44Å; C8-E133 VanDerWaalsContact CB-OE2 3.26Å; C8-E133 WeakPolarHBondContact CB-OE2 3.42Å
9L91.8Very high81.1Confident94 Ų9481.5 Ų81.549%0.49242%0.415SS..Hα-helixtrans-64.2-37.8175.5-173.2144.3000112.7S7 R13S7-L9 PolarHBondContact O-N 3.22Å; L9-R13 WeakPolarHBondContact O-CG 3.5Å; L9-R13 PolarHBondContact O-N 2.94Å
10W92.6Very high80.1Confident62 Ų6280.4 Ų80.424%0.23541%0.413CS..Hα-helixtrans-63.4-51.2173.3179.389.3000110.8R6 S7 C8 R12 R13 E14 L22 L79 Y121R6-W10 HydrophobicContact CB-CB 4.39Å; R6-W10 HydrophobicContact CB-CD2 3.81Å; R6-W10 HydrophobicContact CB-CE3 3.38Å; R6-W10 HydrophobicContact CB-CG 4.25Å; R6-W10 HydrophobicContact CB-CZ3 3.89Å; R6-W10 VanDerWaalsContact CD-CD2 3.44Å; R6-W10 HydrophobicContact CG-CD2 3.73Å; R6-W10 HydrophobicContact CG-CE3 3.51Å; R6-W10 HydrophobicContact CG-CG 4.39Å; R6-W10 HydrophobicContact CG-CH2 4.02Å; R6-W10 HydrophobicContact CG-CZ2 4.23Å; R6-W10 HydrophobicContact CG-CZ3 3.67Å; S7-W10 WeakPolarHBondContact O-CB 3.41Å; S7-W10 PolarHBondContact O-N 3.28Å; S7-W10 VanDerWaalsContact O-N 3.09Å; S7-W10 PolarHBondContact OG-N 3.1Å; C8-W10 PolarHBondContact O-N 3.47Å; W10-R12 VanDerWaalsContact C-N 3.3Å; W10-R12 PolarHBondContact O-N 2.91Å; W10-R13 WeakPolarHBondContact O-CB 3.43Å; W10-R13 PolarHBondContact O-N 2.81Å; W10-E14 HydrophobicContact CD2-CG 3.85Å; W10-E14 HydrophobicContact CE3-CG 3.9Å; W10-E14 HydrophobicContact CH2-CG 3.67Å; W10-E14 HydrophobicContact CZ2-CG 3.58Å; W10-E14 HydrophobicContact CZ3-CG 3.81Å; W10-E14 PolarHBondContact O-N 2.83Å; W10-E14 VanDerWaalsContact O-N 3.1Å; W10-L22 HydrophobicContact CH2-CD1 4.47Å; W10-L22 HydrophobicContact CH2-CD2 4.42Å; W10-L22 HydrophobicContact CZ3-CD2 4.31Å; W10-L79 HydrophobicContact CZ3-CD1 4.2Å; W10-L79 HydrophobicContact CZ3-CD2 4.25Å; W10-Y121 HydrophobicContact CH2-CD2 4.21Å
11L92.6Very high79.9Confident0 Ų086.6 Ų86.60%043%0.432CS..Hα-helixtrans-61.8-39.7-178.9175.156.3000111.7S7 C8 R13 E14 L15 L22 L24 I38 L79 L123 F130S7-L11 PolarHBondContact O-N 3.06Å; S7-L11 VanDerWaalsContact O-N 3.09Å; C8-L11 PolarHBondContact O-N 3.3Å; L11-R13 VanDerWaalsContact C-N 3.25Å; L11-R13 PolarHBondContact O-N 3.36Å; L11-E14 PolarHBondContact O-N 3.01Å; L11-E14 VanDerWaalsContact O-N 3.16Å; L11-L15 HydrophobicContact CD1-CD1 3.86Å; L11-L15 HydrophobicContact CD1-CD2 4.33Å; L11-L15 HydrophobicContact CD1-CG 3.78Å; L11-L15 HydrophobicContact CD2-CD1 4.48Å; L11-L15 HydrophobicContact CG-CD1 3.89Å; L11-L15 HydrophobicContact CG-CG 4.26Å; L11-L15 WeakPolarHBondContact O-CG 3.1Å; L11-L15 PolarHBondContact O-N 3.16Å; L11-L22 HydrophobicContact CD1-CD2 3.82Å; L11-L24 HydrophobicContact CD1-CD2 3.92Å; L11-L24 HydrophobicContact CD2-CD2 4.41Å; L11-I38 HydrophobicContact CD2-CD1 3.78Å; L11-L79 HydrophobicContact CB-CD2 4.25Å; L11-L79 HydrophobicContact CD1-CD2 3.64Å; L11-L79 HydrophobicContact CD2-CD2 3.6Å; L11-L79 HydrophobicContact CG-CD2 4.02Å; L11-L123 HydrophobicContact CB-CD1 4.23Å; L11-L123 HydrophobicContact CD2-CD1 3.93Å; L11-L123 HydrophobicContact CD2-CD2 3.99Å; L11-F130 HydrophobicContact CB-CD2 4.49Å; L11-F130 HydrophobicContact CB-CE2 3.91Å; L11-F130 HydrophobicContact CD2-CD2 3.86Å; L11-F130 HydrophobicContact CD2-CE2 3.55Å; L11-F130 HydrophobicContact CD2-CZ 3.93Å; L11-F130 HydrophobicContact CG-CD2 4.42Å; L11-F130 HydrophobicContact CG-CE2 3.69Å; L11-F130 HydrophobicContact CG-CZ 4.08Å
12R90.5Very high81.7Confident121 Ų12180.6 Ų80.646%0.45740%0.403SS..Hα-helixtrans-55.7-41.1174.6179.1177.8-179.4-179.4-1.1112.2C8 W10 L15 S16 L137C8-R12 WeakPolarHBondContact O-CB 3.31Å; C8-R12 PolarHBondContact O-N 3.35Å; W10-R12 VanDerWaalsContact C-N 3.3Å; W10-R12 PolarHBondContact O-N 2.91Å; R12-L15 PolarHBondContact O-N 3.17Å; R12-S16 PolarHBondContact O-N 3.01Å; R12-S16 PolarHBondContact O-OG 2.86Å; R12-L137 HydrophobicContact CB-CD1 4.31Å; R12-L137 HydrophobicContact CG-CD1 3.98Å
13R89.4Confident83.7Confident176 Ų17672 Ų7266%0.66436%0.363SS*.Hα-helixtrans-67.1-43.4177.3-71.2175.4176.6-178.9-0.7111.1L9 W10 L11 L15 S16L9-R13 WeakPolarHBondContact O-CG 3.5Å; L9-R13 PolarHBondContact O-N 2.94Å; W10-R13 WeakPolarHBondContact O-CB 3.43Å; W10-R13 PolarHBondContact O-N 2.81Å; L11-R13 VanDerWaalsContact C-N 3.25Å; L11-R13 PolarHBondContact O-N 3.36Å; R13-L15 VanDerWaalsContact C-N 3.26Å; R13-L15 PolarHBondContact O-N 3.01Å; R13-S16 WeakPolarHBondContact O-CB 3.33Å; R13-S16 PolarHBondContact O-N 3.48Å; R13-S16 VanDerWaalsContact O-N 3.16Å
14E88.6Confident84.6Confident56 Ų5669.4 Ų69.426%0.26234%0.335SS..Hα-helixtrans-66.1-25.3176.8-63.2-63.8137.600113.5W10 L11 P20 L22W10-E14 HydrophobicContact CD2-CG 3.85Å; W10-E14 HydrophobicContact CE3-CG 3.9Å; W10-E14 HydrophobicContact CH2-CG 3.67Å; W10-E14 HydrophobicContact CZ2-CG 3.58Å; W10-E14 HydrophobicContact CZ3-CG 3.81Å; W10-E14 PolarHBondContact O-N 2.83Å; W10-E14 VanDerWaalsContact O-N 3.1Å; L11-E14 PolarHBondContact O-N 3.01Å; L11-E14 VanDerWaalsContact O-N 3.16Å; E14-P20 HydrophobicContact CB-CG 4.41Å; E14-P20 WeakPolarHBondContact O-CD 3.19Å; E14-P20 WeakPolarHBondContact O-CG 3.29Å; E14-P20 VanDerWaalsContact OE2-CG 3.26Å; E14-P20 WeakPolarHBondContact OE2-CG 3.26Å; E14-L22 HydrophobicContact CB-CD2 3.88Å; E14-L22 HydrophobicContact CG-CD2 4.47Å
15L86.6Confident84.8Confident22 Ų2268.8 Ų68.812%0.11533%0.332CS..Hα-helixtrans-86.1-10.8175.8-68177000113.7L11 R12 R13 L24 I38 F130 L137L11-L15 HydrophobicContact CD1-CD1 3.86Å; L11-L15 HydrophobicContact CD1-CD2 4.33Å; L11-L15 HydrophobicContact CD1-CG 3.78Å; L11-L15 HydrophobicContact CD2-CD1 4.48Å; L11-L15 HydrophobicContact CG-CD1 3.89Å; L11-L15 HydrophobicContact CG-CG 4.26Å; L11-L15 WeakPolarHBondContact O-CG 3.1Å; L11-L15 PolarHBondContact O-N 3.16Å; R12-L15 PolarHBondContact O-N 3.17Å; R13-L15 VanDerWaalsContact C-N 3.26Å; R13-L15 PolarHBondContact O-N 3.01Å; L15-L24 HydrophobicContact CD2-CD1 3.84Å; L15-I38 HydrophobicContact CD1-CG2 3.77Å; L15-F130 HydrophobicContact CD1-CZ 4.11Å; L15-L137 HydrophobicContact CB-CD1 4.45Å; L15-L137 HydrophobicContact CD1-CD1 4.27Å
16S83.3Confident85Confident57 Ų5768.3 Ų68.340%0.39933%0.327SS..SBendtrans-73.7139.8179.2-61.10000110.8R12 R13 P18R12-S16 PolarHBondContact O-N 3.01Å; R12-S16 PolarHBondContact O-OG 2.86Å; R13-S16 WeakPolarHBondContact O-CB 3.33Å; R13-S16 PolarHBondContact O-N 3.48Å; R13-S16 VanDerWaalsContact O-N 3.16Å; S16-P18 CarbonylContact O-C 3.55Å
17P77.1Confident84.9Confident116 Ų11666.6 Ų66.675%0.75332%0.323SS*.SBendtrans-62.3144.5177.2-20.131.2000112.3
18P66.6Low84.7Confident124 Ų12465 Ų6581%0.80531%0.309SS*.SBendcis-74130.6-4.830.1-32.7000111.2S16 P20S16-P18 CarbonylContact O-C 3.55Å; P18-P20 WeakPolarHBondContact O-CD 3.39Å
19R63.7Low84.4Confident182 Ų18267.4 Ų67.469%0.68733%0.326SS*.PPolyproline II helixtrans-68.2117.7-173.5-67.8-175.1-179.8179.62.6110.4
20P61.8Low84Confident58 Ų5868.3 Ų68.338%0.37732%0.323SS..PPolyproline II helixtrans-58.1158.7164.523.1-32.5000110.9E14 P18 L22E14-P20 HydrophobicContact CB-CG 4.41Å; E14-P20 WeakPolarHBondContact O-CD 3.19Å; E14-P20 WeakPolarHBondContact O-CG 3.29Å; E14-P20 VanDerWaalsContact OE2-CG 3.26Å; E14-P20 WeakPolarHBondContact OE2-CG 3.26Å; P18-P20 WeakPolarHBondContact O-CD 3.39Å; P20-L22 PolarHBondContact O-N 3.32Å
21R75.5Confident83.5Confident212 Ų21270.8 Ų70.880%0.834%0.337SS*.  trans-7253.6174.9-73-179143.7177.3-5.5111.8
22L87.1Confident83.3Confident26 Ų2673.8 Ų73.814%0.13635%0.353CS..PPolyproline II helixtrans-82.2123.2174.9178.264.9000109.9W10 L11 E14 P20 L24 P77 L79W10-L22 HydrophobicContact CH2-CD1 4.47Å; W10-L22 HydrophobicContact CH2-CD2 4.42Å; W10-L22 HydrophobicContact CZ3-CD2 4.31Å; L11-L22 HydrophobicContact CD1-CD2 3.82Å; E14-L22 HydrophobicContact CB-CD2 3.88Å; E14-L22 HydrophobicContact CG-CD2 4.47Å; P20-L22 PolarHBondContact O-N 3.32Å; L22-L24 HydrophobicContact CD2-CD2 4.36Å; L22-P77 HydrophobicContact CD1-CB 3.86Å; L22-P77 HydrophobicContact CD1-CG 4.37Å; L22-L79 HydrophobicContact CD1-CB 4.07Å
23L87.9Confident83.2Confident19 Ų1969.1 Ų69.110%0.09934%0.335CS..EExtended strand (participates in β ladder)trans-88.8122.4173.1-174.366.1000110.1L25 L42 L65 P77 V78 L79L23-L25 HydrophobicContact CD2-CD2 4.17Å; L23-L25 HydrophobicContact CG-CD2 4.04Å; L23-L25 HydrophobicContact CG-CG 4.45Å; L23-L42 HydrophobicContact CD1-CD1 3.62Å; L23-L65 HydrophobicContact CD2-CD1 4.03Å; L23-L65 HydrophobicContact CD2-CD2 3.8Å; L23-P77 PolarHBondContact N-O 3.39Å; L23-V78 HydrophobicContact CB-CG1 4.31Å; L23-V78 HydrophobicContact CB-CG2 4.19Å; L23-V78 HydrophobicContact CD2-CG1 4.26Å; L23-V78 HydrophobicContact CD2-CG2 4.19Å; L23-V78 HydrophobicContact CG-CG1 4.42Å; L23-V78 CarbonylContact O-C 3.57Å; L23-V78 WeakPolarHBondContact O-CA 3.48Å; L23-L79 PolarHBondContact O-N 2.97Å
24L90.8Very high83Confident6 Ų665.5 Ų65.53%0.03133%0.326CS..EExtended strand (participates in β ladder)trans-102.7124.5178.1-77174000111L11 L15 L22 I38 A41 L42 L79L11-L24 HydrophobicContact CD1-CD2 3.92Å; L11-L24 HydrophobicContact CD2-CD2 4.41Å; L15-L24 HydrophobicContact CD2-CD1 3.84Å; L22-L24 HydrophobicContact CD2-CD2 4.36Å; L24-I38 HydrophobicContact CD1-CG2 3.79Å; L24-A41 HydrophobicContact CB-CB 3.86Å; L24-L42 PolarHBondContact O-N 3.17Å; L24-L79 HydrophobicContact CD2-CB 3.93Å; L24-L79 HydrophobicContact CD2-CD2 3.76Å; L24-L79 HydrophobicContact CD2-CG 4.27Å
25L91.4Very high83Confident2 Ų265.6 Ų65.61%0.0133%0.333CS..EExtended strand (participates in β ladder)trans-117.8121178.6-57-177.2000110.6L23 L42 V44 L65 V78 L79 L80 Y81 L113L23-L25 HydrophobicContact CD2-CD2 4.17Å; L23-L25 HydrophobicContact CG-CD2 4.04Å; L23-L25 HydrophobicContact CG-CG 4.45Å; L25-L42 WeakPolarHBondContact CA-O 3.46Å; L25-L42 HydrophobicContact CD2-CB 4.12Å; L25-L42 HydrophobicContact CD2-CD1 4.35Å; L25-V44 HydrophobicContact CB-CG2 3.89Å; L25-V44 HydrophobicContact CD1-CG2 4.31Å; L25-V44 HydrophobicContact CD2-CG2 3.83Å; L25-V44 HydrophobicContact CG-CG2 4.21Å; L25-L65 HydrophobicContact CD1-CD2 4.28Å; L25-L65 HydrophobicContact CD2-CD2 4.18Å; L25-V78 HydrophobicContact CD1-CG1 3.68Å; L25-V78 HydrophobicContact CG-CG1 3.94Å; L25-L79 PolarHBondContact N-O 3.41Å; L25-L80 HydrophobicContact CB-CD2 4.44Å; L25-L80 HydrophobicContact CB-CG 4.25Å; L25-L80 HydrophobicContact CD1-CD2 4.16Å; L25-L80 HydrophobicContact CD1-CG 4.33Å; L25-L80 WeakPolarHBondContact O-CA 3.5Å; L25-Y81 PolarHBondContact O-N 2.81Å; L25-L113 HydrophobicContact CD1-CD1 4.26Å
26D91.6Very high83.1Confident0 Ų064.9 Ų64.90%033%0.33CS..EExtended strand (participates in β ladder)trans-91.8110.1174.5-163.6-33.4000109.7R28 Y33 L42 V44 Y81D26-R28 VanDerWaalsContact C-N 3.33Å; D26-R28 WeakPolarHBondContact OD1-CB 3.4Å; D26-R28 WeakPolarHBondContact OD1-CG 3.22Å; D26-R28 IonicContact OD1-CZ 3.58Å; D26-R28 PolarHBondContact OD1-N 3.29Å; D26-R28 IonicContact OD1-NE 2.78Å; D26-R28 PolarHBondContact OD1-NE 3.44Å; D26-R28 IonicContact OD1-NH2 3.47Å; D26-R28 IonicContact OD2-CZ 3.11Å; D26-R28 IonicContact OD2-NE 3.75Å; D26-R28 PolarHBondContact OD2-NE 3.04Å; D26-R28 IonicContact OD2-NH2 2.6Å; D26-R28 PolarHBondContact OD2-NH2 3.43Å; D26-Y33 HydrophobicContact CB-CD2 3.67Å; D26-Y33 HydrophobicContact CB-CE2 4.07Å; D26-Y33 WeakPolarHBondContact OD2-CD2 3.31Å; D26-L42 PolarHBondContact N-O 2.83Å; D26-V44 PolarHBondContact O-N 3.1Å; D26-Y81 HydrophobicContact CB-CE1 4.15Å; D26-Y81 HydrophobicContact CB-CE2 3.96Å; D26-Y81 WeakPolarHBondContact CB-OH 3.31Å; D26-Y81 VanDerWaalsContact CG-CZ 3.41Å; D26-Y81 VanDerWaalsContact CG-OH 3.24Å; D26-Y81 WeakPolarHBondContact OD2-CE2 3.44Å; D26-Y81 PolarHBondContact OD2-OH 3.24Å
27C90.4Very high83.6Confident15 Ų1564.6 Ų64.610%0.10132%0.32CS..  trans-91.79.5-178.5-61.20000113Y81 V105 L106C27-Y81 WeakPolarHBondContact CB-O 3.48Å; C27-Y81 PolarHBondContact N-O 2.83Å; C27-V105 HydrophobicContact CB-CG1 4.17Å; C27-L106 HydrophobicContact CB-CB 4.17Å
28R88.9Confident84.4Confident14 Ų1459 Ų595%0.05329%0.285CS..SBendtrans-81.2172179.4-58.7-179.9-66.2149.54.4111.6D26 L32 A36 D82 Q83 F127D26-R28 VanDerWaalsContact C-N 3.33Å; D26-R28 WeakPolarHBondContact OD1-CB 3.4Å; D26-R28 WeakPolarHBondContact OD1-CG 3.22Å; D26-R28 IonicContact OD1-CZ 3.58Å; D26-R28 PolarHBondContact OD1-N 3.29Å; D26-R28 IonicContact OD1-NE 2.78Å; D26-R28 PolarHBondContact OD1-NE 3.44Å; D26-R28 IonicContact OD1-NH2 3.47Å; D26-R28 IonicContact OD2-CZ 3.11Å; D26-R28 IonicContact OD2-NE 3.75Å; D26-R28 PolarHBondContact OD2-NE 3.04Å; D26-R28 IonicContact OD2-NH2 2.6Å; D26-R28 PolarHBondContact OD2-NH2 3.43Å; R28-L32 HydrophobicContact CB-CB 3.97Å; R28-L32 HydrophobicContact CB-CD1 4.21Å; R28-L32 PolarHBondContact NH1-O 3.11Å; R28-L32 PolarHBondContact NH2-O 3.38Å; R28-A36 PolarHBondContact NH2-O 2.73Å; R28-D82 VanDerWaalsContact CG-C 3.45Å; R28-Q83 HydrophobicContact CG-CB 4.32Å; R28-F127 VanDerWaalsContact CZ-CG 3.46Å
29S84.4Confident85.4Confident53 Ų5353.9 Ų53.937%0.37125%0.254SS..  trans-62.4158.7173.683.20000111E31 L32 Y33S29-E31 VanDerWaalsContact C-N 3.26Å; S29-E31 WeakPolarHBondContact CB-OE2 3.27Å; S29-E31 PolarHBondContact O-N 3.16Å; S29-E31 PolarHBondContact OG-OE2 3.39Å; S29-L32 PolarHBondContact O-N 2.88Å; S29-L32 PolarHBondContact OG-N 2.97Å; S29-Y33 PolarHBondContact O-N 3.3Å
30R83.2Confident86.4Confident114 Ų11447.7 Ų47.743%0.4325%0.247SC..Hα-helixtrans-60.9-38.9-177.1-177.1171.3-177.8163.22.6111.8L32 Y33 E34R30-L32 VanDerWaalsContact C-N 3.32Å; R30-L32 PolarHBondContact O-N 3.49Å; R30-Y33 WeakPolarHBondContact O-CB 3.33Å; R30-Y33 PolarHBondContact O-N 3.29Å; R30-E34 HydrophobicContact CG-CG 4.26Å; R30-E34 IonicContact CZ-OE1 3.16Å; R30-E34 IonicContact NE-OE1 3.84Å; R30-E34 PolarHBondContact NE-OE1 3.49Å; R30-E34 IonicContact NH2-OE1 2.71Å; R30-E34 PolarHBondContact NH2-OE1 3.36Å; R30-E34 VanDerWaalsContact NH2-OE1 3.15Å; R30-E34 WeakPolarHBondContact O-CB 3.31Å; R30-E34 WeakPolarHBondContact O-CG 3.49Å; R30-E34 PolarHBondContact O-N 3.23Å
31E83.4Confident87.7Confident114 Ų11445.1 Ų45.153%0.53323%0.23SC..Hα-helixtrans-63.2-40.7179.3-51.375.5-160.300110.9S29 S35S29-E31 VanDerWaalsContact C-N 3.26Å; S29-E31 WeakPolarHBondContact CB-OE2 3.27Å; S29-E31 PolarHBondContact O-N 3.16Å; S29-E31 PolarHBondContact OG-OE2 3.39Å; E31-S35 WeakPolarHBondContact O-CB 3.44Å; E31-S35 PolarHBondContact O-N 3.14Å; E31-S35 PolarHBondContact O-OG 2.92Å
32L87.8Confident88.3Confident63 Ų6336.7 Ų36.733%0.3320%0.201SC..Hα-helixtrans-70.6-33176.4-69.8177000112.5R28 S29 R30 S35 A36 Q83R28-L32 HydrophobicContact CB-CB 3.97Å; R28-L32 HydrophobicContact CB-CD1 4.21Å; R28-L32 PolarHBondContact NH1-O 3.11Å; R28-L32 PolarHBondContact NH2-O 3.38Å; S29-L32 PolarHBondContact O-N 2.88Å; S29-L32 PolarHBondContact OG-N 2.97Å; R30-L32 VanDerWaalsContact C-N 3.32Å; R30-L32 PolarHBondContact O-N 3.49Å; L32-S35 WeakPolarHBondContact CA-OG 3.41Å; L32-S35 PolarHBondContact O-OG 2.95Å; L32-S35 VanDerWaalsContact O-OG 3.04Å; L32-A36 PolarHBondContact O-N 3.24Å; L32-Q83 HydrophobicContact CD1-CB 4.46Å; L32-Q83 HydrophobicContact CD1-CG 4.45Å
33Y87.9Confident88.3Confident22 Ų2236.2 Ų36.29%0.08620%0.2CC..Hα-helixtrans-71.1-42.3175175.8-94000112.5D26 S29 R30 R37 A41D26-Y33 HydrophobicContact CB-CD2 3.67Å; D26-Y33 HydrophobicContact CB-CE2 4.07Å; D26-Y33 WeakPolarHBondContact OD2-CD2 3.31Å; S29-Y33 PolarHBondContact O-N 3.3Å; R30-Y33 WeakPolarHBondContact O-CB 3.33Å; R30-Y33 PolarHBondContact O-N 3.29Å; Y33-R37 HydrophobicContact CD2-CB 4.01Å; Y33-R37 HydrophobicContact CE2-CB 4.12Å; Y33-R37 HydrophobicContact CE2-CG 4.38Å; Y33-R37 VanDerWaalsContact CZ-NH1 3.33Å; Y33-R37 PolarHBondContact OH-NH1 3.45Å; Y33-A41 PolarHBondContact OH-O 2.86Å; Y33-A41 VanDerWaalsContact OH-O 3.06Å
34E85.9Confident88.1Confident101 Ų10135.5 Ų35.547%0.47220%0.196SC..Hα-helixtrans-73.1-31.5-178.5-73.2177.5171.500112.4R30R30-E34 HydrophobicContact CG-CG 4.26Å; R30-E34 IonicContact CZ-OE1 3.16Å; R30-E34 IonicContact NE-OE1 3.84Å; R30-E34 PolarHBondContact NE-OE1 3.49Å; R30-E34 IonicContact NH2-OE1 2.71Å; R30-E34 PolarHBondContact NH2-OE1 3.36Å; R30-E34 VanDerWaalsContact NH2-OE1 3.15Å; R30-E34 WeakPolarHBondContact O-CB 3.31Å; R30-E34 WeakPolarHBondContact O-CG 3.49Å; R30-E34 PolarHBondContact O-N 3.23Å
35S87.9Confident87.2Confident57 Ų5737.9 Ų37.940%0.39922%0.217SC..Hα-helixtrans-69.9-48175.352.70000112.8E31 L32 S141E31-S35 WeakPolarHBondContact O-CB 3.44Å; E31-S35 PolarHBondContact O-N 3.14Å; E31-S35 PolarHBondContact O-OG 2.92Å; L32-S35 WeakPolarHBondContact CA-OG 3.41Å; L32-S35 PolarHBondContact O-OG 2.95Å; L32-S35 VanDerWaalsContact O-OG 3.04Å; S35-S141 PolarHBondContact O-N 2.8Å
36A89.8Confident86.4Confident8 Ų839 Ų397%0.06622%0.223CC..EExtended strand (participates in β ladder)trans-158.7141.4176.900000111.4R28 L32 F127 E139 T140R28-A36 PolarHBondContact NH2-O 2.73Å; L32-A36 PolarHBondContact O-N 3.24Å; A36-F127 HydrophobicContact CB-CE1 3.91Å; A36-F127 HydrophobicContact CB-CZ 3.67Å; A36-F127 WeakPolarHBondContact O-CZ 3.38Å; A36-E139 CarbonylContact C-O 3.51Å; A36-E139 VanDerWaalsContact CA-O 3.22Å; A36-E139 WeakPolarHBondContact CA-O 3.31Å; A36-T140 HydrophobicContact CB-CG2 3.89Å
37R93.3Very high85.8Confident50 Ų5042.3 Ų42.319%0.18924%0.244CC..EExtended strand (participates in β ladder)trans-147.2164.4178.363.2-177.1179.7-142.10.2112Y33 C138 E139Y33-R37 HydrophobicContact CD2-CB 4.01Å; Y33-R37 HydrophobicContact CE2-CB 4.12Å; Y33-R37 HydrophobicContact CE2-CG 4.38Å; Y33-R37 VanDerWaalsContact CZ-NH1 3.33Å; Y33-R37 PolarHBondContact OH-NH1 3.45Å; R37-C138 CarbonylContact O-C 3.4Å; R37-C138 WeakPolarHBondContact O-CA 3.26Å; R37-C138 WeakPolarHBondContact O-CB 3.49Å; R37-E139 HydrophobicContact CG-CB 4.11Å; R37-E139 IonicContact CZ-OE2 3.86Å; R37-E139 VanDerWaalsContact CZ-OE2 3.29Å; R37-E139 PolarHBondContact N-O 2.87Å; R37-E139 IonicContact NE-OE2 2.97Å; R37-E139 PolarHBondContact NE-OE2 2.72Å; R37-E139 IonicContact NH2-OE2 3.84Å; R37-E139 PolarHBondContact NH2-OE2 2.96Å; R37-E139 PolarHBondContact O-N 2.86Å
38I93.4Very high85.1Confident0 Ų045.5 Ų45.50%027%0.271CS..EExtended strand (participates in β ladder)trans-72135.8171-61.3175000108L11 L15 L24 G40 A41 Y81 L123 F127 F130L11-I38 HydrophobicContact CD2-CD1 3.78Å; L15-I38 HydrophobicContact CD1-CG2 3.77Å; L24-I38 HydrophobicContact CD1-CG2 3.79Å; I38-G40 PolarHBondContact O-N 3.35Å; I38-A41 HydrophobicContact CB-CB 4.35Å; I38-A41 WeakPolarHBondContact O-CB 3.39Å; I38-A41 PolarHBondContact O-N 2.91Å; I38-Y81 HydrophobicContact CB-CE1 4.22Å; I38-Y81 HydrophobicContact CD1-CD1 4Å; I38-Y81 HydrophobicContact CD1-CE1 3.78Å; I38-Y81 HydrophobicContact CD1-CE2 4.34Å; I38-Y81 HydrophobicContact CD1-CG 4.35Å; I38-Y81 HydrophobicContact CG1-CE1 4.19Å; I38-Y81 HydrophobicContact CG1-CE2 4.5Å; I38-Y81 PolarHBondContact N-OH 3.19Å; I38-L123 HydrophobicContact CD1-CD2 3.72Å; I38-F127 HydrophobicContact CD1-CD2 4.37Å; I38-F127 HydrophobicContact CG1-CD2 3.87Å; I38-F127 HydrophobicContact CG1-CE2 3.93Å; I38-F130 HydrophobicContact CB-CE1 4.49Å; I38-F130 HydrophobicContact CD1-CB 4.4Å; I38-F130 HydrophobicContact CD1-CD1 3.53Å; I38-F130 HydrophobicContact CD1-CE1 3.87Å; I38-F130 HydrophobicContact CD1-CG 3.88Å; I38-F130 HydrophobicContact CD1-CZ 4.49Å; I38-F130 HydrophobicContact CG1-CD1 3.61Å; I38-F130 HydrophobicContact CG1-CE1 3.77Å; I38-F130 HydrophobicContact CG1-CG 4.44Å; I38-F130 HydrophobicContact CG2-CE1 4.04Å; I38-F130 HydrophobicContact CG2-CZ 4.47Å
39G88Confident84.5Confident16 Ų1650.1 Ų50.117%0.16530%0.296CS..THydrogen-bonded Turntrans-57.1129.2-176.500000112.5A41 L137 E139G39-A41 VanDerWaalsContact C-N 3.29Å; G39-A41 PolarHBondContact O-N 3.38Å; G39-L137 PolarHBondContact N-O 2.81Å; G39-E139 VanDerWaalsContact CA-OE1 3.3Å; G39-E139 WeakPolarHBondContact CA-OE1 3.37Å
40G84.6Confident84.3Confident52 Ų5248.8 Ų48.854%0.53629%0.285SS..THydrogen-bonded Turntrans75.16.3-175.800000116.1I38 E139I38-G40 PolarHBondContact O-N 3.35Å; G40-E139 PolarHBondContact N-OE1 2.84Å
41A89.4Confident84.2Confident3 Ų344.1 Ų44.13%0.02527%0.269CS..  trans-71.9148.2171.400000112.2L24 Y33 I38 G39 Y81L24-A41 HydrophobicContact CB-CB 3.86Å; Y33-A41 PolarHBondContact OH-O 2.86Å; Y33-A41 VanDerWaalsContact OH-O 3.06Å; I38-A41 HydrophobicContact CB-CB 4.35Å; I38-A41 WeakPolarHBondContact O-CB 3.39Å; I38-A41 PolarHBondContact O-N 2.91Å; G39-A41 VanDerWaalsContact C-N 3.29Å; G39-A41 PolarHBondContact O-N 3.38Å; A41-Y81 HydrophobicContact CB-CE1 3.9Å; A41-Y81 VanDerWaalsContact CB-OH 3.25Å; A41-Y81 WeakPolarHBondContact CB-OH 3.45Å
42L87.2Confident84Confident35 Ų3545.1 Ų45.118%0.18327%0.267CS..EExtended strand (participates in β ladder)trans-105.8132177.7-60.4178.3000110.5L23 L24 L25 D26 V44 P66 V159L23-L42 HydrophobicContact CD1-CD1 3.62Å; L24-L42 PolarHBondContact O-N 3.17Å; L25-L42 WeakPolarHBondContact CA-O 3.46Å; L25-L42 HydrophobicContact CD2-CB 4.12Å; L25-L42 HydrophobicContact CD2-CD1 4.35Å; D26-L42 PolarHBondContact N-O 2.83Å; L42-V44 PolarHBondContact O-N 2.82Å; L42-P66 HydrophobicContact CD1-CG 3.57Å; L42-V159 HydrophobicContact CB-CG2 3.67Å; L42-V159 HydrophobicContact CD1-CG2 3.93Å; L42-V159 HydrophobicContact CD2-CG2 4.32Å; L42-V159 HydrophobicContact CG-CG2 4.2Å
43S87Confident83.7Confident16 Ų1647.8 Ų47.811%0.11227%0.273CS..EExtended strand (participates in β ladder)trans-70.2130.6174.7-179.80000111.5
44V83.3Confident83.5Confident5 Ų546.7 Ų46.73%0.0327%0.269CS..  trans-120.687.4172.8-175.30000109.1L25 D26 L42 L46 L109L25-V44 HydrophobicContact CB-CG2 3.89Å; L25-V44 HydrophobicContact CD1-CG2 4.31Å; L25-V44 HydrophobicContact CD2-CG2 3.83Å; L25-V44 HydrophobicContact CG-CG2 4.21Å; D26-V44 PolarHBondContact O-N 3.1Å; L42-V44 PolarHBondContact O-N 2.82Å; V44-L46 HydrophobicContact CG1-CD1 4.14Å; V44-L46 HydrophobicContact CG1-CD2 4.32Å; V44-L46 HydrophobicContact CG1-CG 3.86Å; V44-L109 HydrophobicContact CB-CD1 4.44Å; V44-L109 HydrophobicContact CG1-CD1 3.58Å
45A73.5Confident83.2Confident56 Ų5645.9 Ų45.946%0.46326%0.262SS..  trans-94.1105.817100000109.5P47A45-P47 WeakPolarHBondContact O-CD 3.41Å
46L73.1Confident83Confident25 Ų2551.3 Ų51.313%0.13127%0.273CS..  trans-104.2110178.5-66.4177.6000111.1V44 L50 L51 L54 L64 V105 L109V44-L46 HydrophobicContact CG1-CD1 4.14Å; V44-L46 HydrophobicContact CG1-CD2 4.32Å; V44-L46 HydrophobicContact CG1-CG 3.86Å; L46-L50 HydrophobicContact CD2-CB 4.22Å; L46-L50 HydrophobicContact CD2-CD1 4.2Å; L46-L51 HydrophobicContact CD1-CD1 4.3Å; L46-L54 HydrophobicContact CD1-CD1 3.58Å; L46-L64 HydrophobicContact CD1-CD1 4.09Å; L46-L64 HydrophobicContact CD2-CD1 3.96Å; L46-L64 HydrophobicContact CD2-CD2 3.69Å; L46-L64 HydrophobicContact CD2-CG 4.39Å; L46-V105 HydrophobicContact CD1-CG1 4.23Å; L46-L109 HydrophobicContact CD1-CD1 3.88Å; L46-L109 HydrophobicContact CD1-CD2 3.88Å; L46-L109 HydrophobicContact CD1-CG 3.93Å
47P78.5Confident82.6Confident70 Ų7053.6 Ų53.646%0.45530%0.297SS..  trans-54.6149.6165.7-24.133.7000111.2A45 L49 L50 L51A45-P47 WeakPolarHBondContact O-CD 3.41Å; P47-L49 PolarHBondContact O-N 3.39Å; P47-L50 PolarHBondContact O-N 3.26Å; P47-L51 PolarHBondContact O-N 3.35Å; P47-L51 VanDerWaalsContact O-N 3.14Å
48A75.8Confident82Confident81 Ų8154.3 Ų54.367%0.66931%0.31SS*.Hα-helixtrans-52.3-31.7-177.200000113.7L51 R52A48-L51 PolarHBondContact O-N 3.31Å; A48-R52 WeakPolarHBondContact O-CB 3.28Å; A48-R52 PolarHBondContact O-N 3.42Å
49L77.4Confident81.3Confident111 Ų11155.8 Ų55.858%0.58132%0.318SS*.Hα-helixtrans-65.9-43.6175.9-66.8177.9000113.1P47 L51 R52 R53P47-L49 PolarHBondContact O-N 3.39Å; L49-L51 VanDerWaalsContact C-N 3.34Å; L49-R52 PolarHBondContact O-N 2.69Å; L49-R53 WeakPolarHBondContact O-CG 3.31Å; L49-R53 PolarHBondContact O-N 3.24Å
50L80.3Confident81.1Confident26 Ų2657.2 Ų57.214%0.13633%0.325CS..Hα-helixtrans-68.8-38.5177.2-63.6-171.2000110.6L46 P47 R52 R53 L54 L59L46-L50 HydrophobicContact CD2-CB 4.22Å; L46-L50 HydrophobicContact CD2-CD1 4.2Å; P47-L50 PolarHBondContact O-N 3.26Å; L50-R52 VanDerWaalsContact C-N 3.35Å; L50-R52 PolarHBondContact O-N 3.48Å; L50-R53 PolarHBondContact O-N 2.81Å; L50-L54 WeakPolarHBondContact O-CG 3.35Å; L50-L54 PolarHBondContact O-N 2.72Å; L50-L59 HydrophobicContact CB-CD2 4.16Å; L50-L59 HydrophobicContact CD2-CD2 3.95Å
51L80.1Confident80.9Confident16 Ų1654.8 Ų54.88%0.08430%0.3CS..Hα-helixtrans-59.7-45.3173.7-16366.6000111.5L46 P47 A48 L49 R53 L54 R55 V105 T108L46-L51 HydrophobicContact CD1-CD1 4.3Å; P47-L51 PolarHBondContact O-N 3.35Å; P47-L51 VanDerWaalsContact O-N 3.14Å; A48-L51 PolarHBondContact O-N 3.31Å; L49-L51 VanDerWaalsContact C-N 3.34Å; L51-R53 PolarHBondContact O-N 3.19Å; L51-L54 PolarHBondContact O-N 2.69Å; L51-R55 WeakPolarHBondContact O-CG 3.47Å; L51-R55 PolarHBondContact O-N 3.1Å; L51-V105 HydrophobicContact CD1-CG2 4.39Å; L51-V105 HydrophobicContact CD2-CG2 4.24Å; L51-T108 HydrophobicContact CD1-CG2 3.66Å; L51-T108 HydrophobicContact CG-CG2 4.41Å
52R80.2Confident80.2Confident134 Ų13460 Ų6051%0.50632%0.319SS..Hα-helixtrans-62.7-39.1174.9178.6173163.1169.2-5.9112.4A48 L49 L50 R56A48-R52 WeakPolarHBondContact O-CB 3.28Å; A48-R52 PolarHBondContact O-N 3.42Å; L49-R52 PolarHBondContact O-N 2.69Å; L50-R52 VanDerWaalsContact C-N 3.35Å; L50-R52 PolarHBondContact O-N 3.48Å; R52-R56 VanDerWaalsContact NE-CZ 3.29Å; R52-R56 WeakPolarHBondContact O-CB 3.31Å; R52-R56 VanDerWaalsContact O-CG 3.27Å; R52-R56 WeakPolarHBondContact O-CG 3.41Å; R52-R56 PolarHBondContact O-N 3.44Å; R52-R56 VanDerWaalsContact O-N 3.08Å
53R80.8Confident79.6Confident119 Ų11960.8 Ų60.845%0.44933%0.33SS..Hα-helixtrans-68.4-40.8177-73.8-177.764-177.2-2.3112.6L49 L50 L51 R56 G57 S58 L59L49-R53 WeakPolarHBondContact O-CG 3.31Å; L49-R53 PolarHBondContact O-N 3.24Å; L50-R53 PolarHBondContact O-N 2.81Å; L51-R53 PolarHBondContact O-N 3.19Å; R53-R56 PolarHBondContact O-N 3.3Å; R53-G57 PolarHBondContact O-N 3.15Å; R53-G57 VanDerWaalsContact O-N 3.1Å; R53-S58 WeakPolarHBondContact CB-OG 3.32Å; R53-S58 PolarHBondContact NH2-O 3.26Å; R53-S58 VanDerWaalsContact NH2-O 3.12Å; R53-S58 PolarHBondContact O-N 3.08Å; R53-S58 PolarHBondContact O-OG 3.08Å; R53-L59 HydrophobicContact CB-CB 3.87Å; R53-L59 HydrophobicContact CB-CD2 4.44Å; R53-L59 PolarHBondContact O-N 3.24Å
54L83.1Confident79Confident0 Ų060.4 Ų60.40%033%0.327CS..Hα-helixtrans-58.6-49.4172.9-74.5157.6000111.1L46 L50 L51 R56 G57 L59 V61 L64 T108 L109 K112L46-L54 HydrophobicContact CD1-CD1 3.58Å; L50-L54 WeakPolarHBondContact O-CG 3.35Å; L50-L54 PolarHBondContact O-N 2.72Å; L51-L54 PolarHBondContact O-N 2.69Å; L54-R56 VanDerWaalsContact C-N 3.29Å; L54-R56 PolarHBondContact O-N 3.26Å; L54-G57 PolarHBondContact O-N 3.31Å; L54-L59 HydrophobicContact CD2-CB 4.26Å; L54-L59 HydrophobicContact CD2-CD2 4.33Å; L54-L59 HydrophobicContact CD2-CG 4.11Å; L54-L59 WeakPolarHBondContact CD2-O 3.5Å; L54-L59 HydrophobicContact CG-CB 4.33Å; L54-L59 HydrophobicContact CG-CD2 4.06Å; L54-L59 HydrophobicContact CG-CG 4.31Å; L54-V61 HydrophobicContact CD2-CG2 4.22Å; L54-L64 HydrophobicContact CD1-CD1 3.42Å; L54-L64 VanDerWaalsContact CD1-CD1 3.42Å; L54-L64 HydrophobicContact CD2-CD1 3.58Å; L54-L64 HydrophobicContact CD2-CG 4.4Å; L54-L64 HydrophobicContact CG-CD1 4.01Å; L54-T108 HydrophobicContact CB-CG2 4.34Å; L54-L109 HydrophobicContact CD1-CD2 4.33Å; L54-K112 WeakPolarHBondContact O-CD 3.37Å; L54-K112 WeakPolarHBondContact O-CE 3.42Å
55R81.4Confident78.4Confident84 Ų8460.4 Ų60.432%0.31733%0.327SS..Hα-helixtrans-59-40.7178.6-70.3177.6-164.7164.9-2.9112.4L51 G57 E103 T108L51-R55 WeakPolarHBondContact O-CG 3.47Å; L51-R55 PolarHBondContact O-N 3.1Å; R55-G57 PolarHBondContact O-N 2.82Å; R55-E103 IonicContact CZ-OE2 3.29Å; R55-E103 IonicContact NH1-OE1 2.89Å; R55-E103 IonicContact NH1-OE2 2.81Å; R55-E103 PolarHBondContact NH1-OE2 2.88Å; R55-E103 PolarHBondContact NH2-O 2.85Å; R55-E103 IonicContact NH2-OE2 3.75Å; R55-E103 PolarHBondContact NH2-OE2 2.74Å; R55-E103 VanDerWaalsContact NH2-OE2 3.16Å; R55-T108 HydrophobicContact CG-CG2 3.66Å; R55-T108 PolarHBondContact NE-OG1 3.14Å
56R83.5Confident78Confident171 Ų17158.5 Ų58.565%0.64531%0.31SS*.THydrogen-bonded Turntrans-75-5.5176.6-70.5176.2177.8-143.4-11.2114.2R52 R53 L54 S58R52-R56 VanDerWaalsContact NE-CZ 3.29Å; R52-R56 WeakPolarHBondContact O-CB 3.31Å; R52-R56 VanDerWaalsContact O-CG 3.27Å; R52-R56 WeakPolarHBondContact O-CG 3.41Å; R52-R56 PolarHBondContact O-N 3.44Å; R52-R56 VanDerWaalsContact O-N 3.08Å; R53-R56 PolarHBondContact O-N 3.3Å; L54-R56 VanDerWaalsContact C-N 3.29Å; L54-R56 PolarHBondContact O-N 3.26Å; R56-S58 PolarHBondContact O-N 3.36Å
57G80.2Confident77.2Confident55 Ų5559.5 Ų59.557%0.56733%0.327SS*.THydrogen-bonded Turntrans73.39.9-177.600000114.7R53 L54 R55 L59R53-G57 PolarHBondContact O-N 3.15Å; R53-G57 VanDerWaalsContact O-N 3.1Å; L54-G57 PolarHBondContact O-N 3.31Å; R55-G57 PolarHBondContact O-N 2.82Å; G57-L59 VanDerWaalsContact C-N 3.28Å
58S81.1Confident76Confident66 Ų6661.6 Ų61.646%0.46234%0.34SS..SBendtrans-89.88.5177.968.30000113.8R53 R56R53-S58 WeakPolarHBondContact CB-OG 3.32Å; R53-S58 PolarHBondContact NH2-O 3.26Å; R53-S58 VanDerWaalsContact NH2-O 3.12Å; R53-S58 PolarHBondContact O-N 3.08Å; R53-S58 PolarHBondContact O-OG 3.08Å; R56-S58 PolarHBondContact O-N 3.36Å
59L79.8Confident74.9Confident30 Ų3063.8 Ų63.816%0.15735%0.347CS..SBendtrans-146131173.5-176.262000108.4L50 R53 L54 G57 A63 L64L50-L59 HydrophobicContact CB-CD2 4.16Å; L50-L59 HydrophobicContact CD2-CD2 3.95Å; R53-L59 HydrophobicContact CB-CB 3.87Å; R53-L59 HydrophobicContact CB-CD2 4.44Å; R53-L59 PolarHBondContact O-N 3.24Å; L54-L59 HydrophobicContact CD2-CB 4.26Å; L54-L59 HydrophobicContact CD2-CD2 4.33Å; L54-L59 HydrophobicContact CD2-CG 4.11Å; L54-L59 WeakPolarHBondContact CD2-O 3.5Å; L54-L59 HydrophobicContact CG-CB 4.33Å; L54-L59 HydrophobicContact CG-CD2 4.06Å; L54-L59 HydrophobicContact CG-CG 4.31Å; G57-L59 VanDerWaalsContact C-N 3.28Å; L59-A63 HydrophobicContact CD1-CB 3.84Å; L59-L64 HydrophobicContact CD2-CD2 3.89Å
60S83.1Confident74Confident46 Ų4663.7 Ų63.732%0.32235%0.347SS..  trans-89.6149.3175.2162.30000111.1R62 A63 E116S60-R62 PolarHBondContact O-N 3.42Å; S60-R62 PolarHBondContact OG-N 3.28Å; S60-A63 WeakPolarHBondContact O-CB 3.47Å; S60-A63 PolarHBondContact O-N 3.43Å; S60-A63 VanDerWaalsContact O-N 3.12Å; S60-E116 WeakPolarHBondContact CA-OE1 3.47Å; S60-E116 VanDerWaalsContact CB-OE1 3.28Å; S60-E116 WeakPolarHBondContact CB-OE1 3.44Å; S60-E116 PolarHBondContact OG-OE1 3.29Å; S60-E116 PolarHBondContact OG-OE2 2.84Å
61V79.4Confident73.4Confident1 Ų165.4 Ų65.41%0.00635%0.354CS..G310 helixtrans-64.2-30.1175.3-171.30000111.8L54 A63 L64 L65 L109 K112 L113 E116L54-V61 HydrophobicContact CD2-CG2 4.22Å; V61-A63 PolarHBondContact O-N 3.43Å; V61-L64 HydrophobicContact CG1-CD1 4.45Å; V61-L64 CarbonylContact O-C 3.26Å; V61-L64 WeakPolarHBondContact O-CA 3.13Å; V61-L64 VanDerWaalsContact O-CB 3.26Å; V61-L64 WeakPolarHBondContact O-CB 3.44Å; V61-L64 PolarHBondContact O-N 3.38Å; V61-L65 PolarHBondContact O-N 2.9Å; V61-L109 HydrophobicContact CG1-CD2 4.24Å; V61-K112 HydrophobicContact CG2-CB 3.43Å; V61-K112 VanDerWaalsContact CG2-CB 3.43Å; V61-L113 HydrophobicContact CB-CD2 3.98Å; V61-L113 HydrophobicContact CB-CG 4.34Å; V61-L113 HydrophobicContact CG1-CD1 4.49Å; V61-L113 HydrophobicContact CG1-CD2 3.34Å; V61-L113 HydrophobicContact CG1-CG 3.71Å; V61-L113 HydrophobicContact CG2-CD2 4.45Å; V61-L113 HydrophobicContact CG2-CG 4.3Å; V61-E116 PolarHBondContact N-OE1 3.3Å; V61-E116 PolarHBondContact N-OE2 3Å
62R76.1Confident72.8Confident113 Ų11365.8 Ų65.843%0.42636%0.358SS..G310 helixtrans-57.3-32.6172.5-79-179.3144.8-178.2-10.1113.6S60 L64 L65 Q71 E116 Y118S60-R62 PolarHBondContact O-N 3.42Å; S60-R62 PolarHBondContact OG-N 3.28Å; R62-L64 PolarHBondContact O-N 3.5Å; R62-L65 PolarHBondContact O-N 3.44Å; R62-Q71 PolarHBondContact O-NE2 3.17Å; R62-E116 PolarHBondContact N-OE2 3.41Å; R62-Y118 HydrophobicContact CG-CE2 4.38Å; R62-Y118 WeakPolarHBondContact CG-OH 3.44Å; R62-Y118 PolarHBondContact NE-OH 2.93Å
63A74.6Confident72.6Confident51 Ų5163.5 Ų63.542%0.42136%0.36SS..G310 helixtrans-71.1-14.7175.500000112.8L59 S60 V61L59-A63 HydrophobicContact CD1-CB 3.84Å; S60-A63 WeakPolarHBondContact O-CB 3.47Å; S60-A63 PolarHBondContact O-N 3.43Å; S60-A63 VanDerWaalsContact O-N 3.12Å; V61-A63 PolarHBondContact O-N 3.43Å
64L73.3Confident72.3Confident9 Ų960 Ų605%0.04735%0.353CS..G310 helixtrans-98.95.4176.2-52.5176.3000113L46 L54 L59 V61 R62 L109 V159L46-L64 HydrophobicContact CD1-CD1 4.09Å; L46-L64 HydrophobicContact CD2-CD1 3.96Å; L46-L64 HydrophobicContact CD2-CD2 3.69Å; L46-L64 HydrophobicContact CD2-CG 4.39Å; L54-L64 HydrophobicContact CD1-CD1 3.42Å; L54-L64 VanDerWaalsContact CD1-CD1 3.42Å; L54-L64 HydrophobicContact CD2-CD1 3.58Å; L54-L64 HydrophobicContact CD2-CG 4.4Å; L54-L64 HydrophobicContact CG-CD1 4.01Å; L59-L64 HydrophobicContact CD2-CD2 3.89Å; V61-L64 HydrophobicContact CG1-CD1 4.45Å; V61-L64 CarbonylContact O-C 3.26Å; V61-L64 WeakPolarHBondContact O-CA 3.13Å; V61-L64 VanDerWaalsContact O-CB 3.26Å; V61-L64 WeakPolarHBondContact O-CB 3.44Å; V61-L64 PolarHBondContact O-N 3.38Å; R62-L64 PolarHBondContact O-N 3.5Å; L64-L109 HydrophobicContact CD1-CD2 3.8Å; L64-V159 WeakPolarHBondContact O-CG1 3.31Å
65L72.2Confident72.1Confident4 Ų464.8 Ų64.82%0.02138%0.384CS..SBendtrans-104.3150.2176.8-63.7-176.4000109.7L23 L25 V61 R62 Q71 Y118 V159L23-L65 HydrophobicContact CD2-CD1 4.03Å; L23-L65 HydrophobicContact CD2-CD2 3.8Å; L25-L65 HydrophobicContact CD1-CD2 4.28Å; L25-L65 HydrophobicContact CD2-CD2 4.18Å; V61-L65 PolarHBondContact O-N 2.9Å; R62-L65 PolarHBondContact O-N 3.44Å; L65-Q71 HydrophobicContact CB-CG 4.3Å; L65-Q71 PolarHBondContact O-NE2 3.2Å; L65-Q71 VanDerWaalsContact O-NE2 3.1Å; L65-Y118 HydrophobicContact CD1-CE1 4.44Å; L65-V159 VanDerWaalsContact C-CG1 3.41Å
66P63.4Low72.2Confident16 Ų1661 Ų6110%0.10437%0.371CS..PPolyproline II helixtrans-60.1149-179.5-5.214.6000109.1L42 L70 Q71 V159L42-P66 HydrophobicContact CD1-CG 3.57Å; P66-L70 HydrophobicContact CB-CB 4.21Å; P66-L70 HydrophobicContact CB-CD1 4.13Å; P66-L70 HydrophobicContact CG-CB 4.3Å; P66-L70 HydrophobicContact CG-CD1 4.39Å; P66-Q71 VanDerWaalsContact O-CD 3.31Å; P66-Q71 WeakPolarHBondContact O-CG 3.39Å; P66-Q71 PolarHBondContact O-NE2 2.71Å; P66-V159 HydrophobicContact CB-CG1 4.44Å; P66-V159 HydrophobicContact CG-CB 4.46Å; P66-V159 HydrophobicContact CG-CG1 3.89Å; P66-V159 HydrophobicContact CG-CG2 3.73Å; P66-V159 VanDerWaalsContact N-CG1 3.25Å
67G58Low72.5Confident47 Ų4754.7 Ų54.749%0.48535%0.352SS..PPolyproline II helixtrans-59.4169.5-177.900000114.2L70G67-L70 PolarHBondContact O-N 3.15Å
68P52.1Low73Confident113 Ų11352 Ų5273%0.73433%0.325SS*.THydrogen-bonded Turntrans-51137.7173.4-23.833.2000111.3
69P53.1Low73.6Confident127 Ų12748.9 Ų48.983%0.82530%0.303SS*.THydrogen-bonded Turncis-94.64.617.236.6-35.9000115.8Q71P69-Q71 VanDerWaalsContact C-N 3.29Å; P69-Q71 PolarHBondContact O-N 3.48Å
70L59.1Low74.2Confident110 Ų11047.5 Ų47.558%0.57630%0.295SS*.SBendtrans-82.32.4-172.3-67.3170.3000114.5P66 G67 P72P66-L70 HydrophobicContact CB-CB 4.21Å; P66-L70 HydrophobicContact CB-CD1 4.13Å; P66-L70 HydrophobicContact CG-CB 4.3Å; P66-L70 HydrophobicContact CG-CD1 4.39Å; G67-L70 PolarHBondContact O-N 3.15Å; L70-P72 WeakPolarHBondContact O-CD 3.22Å
71Q66.1Low74.7Confident61 Ų6145.3 Ų45.329%0.28528%0.28SS..  trans-95.4100.8176.5-58.8-168.3-1400111R62 L65 P66 P69R62-Q71 PolarHBondContact O-NE2 3.17Å; L65-Q71 HydrophobicContact CB-CG 4.3Å; L65-Q71 PolarHBondContact O-NE2 3.2Å; L65-Q71 VanDerWaalsContact O-NE2 3.1Å; P66-Q71 VanDerWaalsContact O-CD 3.31Å; P66-Q71 WeakPolarHBondContact O-CG 3.39Å; P66-Q71 PolarHBondContact O-NE2 2.71Å; P69-Q71 VanDerWaalsContact C-N 3.29Å; P69-Q71 PolarHBondContact O-N 3.48Å
72P68.9Low75.2Confident24 Ų2446.9 Ų46.916%0.15629%0.288CS..PPolyproline II helixtrans-72.7136.9172.231.9-35.7000110.1L70 A76L70-P72 WeakPolarHBondContact O-CD 3.22Å; P72-A76 HydrophobicContact CB-CB 3.54Å; P72-A76 HydrophobicContact CG-CB 3.52Å
73P74.4Confident75.8Confident87 Ų8744.6 Ų44.657%0.56528%0.283SS*.PPolyproline II helixtrans-68.3143.3174.428.6-33.4000110.6P75P73-P75 CarbonylContact O-C 3.32Å
74P76.3Confident76.2Confident45 Ų4544.1 Ų44.129%0.29228%0.283SS..SBendtrans-55.5139.6168.1-23.933.2000111.1Y118P74-Y118 HydrophobicContact CG-CD1 4.46Å; P74-Y118 HydrophobicContact CG-CD2 4.25Å; P74-Y118 HydrophobicContact CG-CE1 4.11Å; P74-Y118 HydrophobicContact CG-CE2 3.91Å
75P77.6Confident75.8Confident101 Ų10144 Ų4466%0.65628%0.284SS*.SBendcis-84.4112.70.832.2-31.7000112P73 L119P73-P75 CarbonylContact O-C 3.32Å; P75-L119 HydrophobicContact CB-CD1 4.32Å; P75-L119 HydrophobicContact CB-CG 4.15Å
76A83.9Confident75Confident5 Ų545.7 Ų45.74%0.04130%0.302CS..  trans-116.2138.4174.100000110.6P72 Y118 L119P72-A76 HydrophobicContact CB-CB 3.54Å; P72-A76 HydrophobicContact CG-CB 3.52Å; A76-Y118 HydrophobicContact CB-CD1 4.15Å; A76-Y118 HydrophobicContact CB-CE1 4.37Å; A76-L119 PolarHBondContact O-N 3.32Å
77P89.7Confident74.8Confident37 Ų3753.6 Ų53.624%0.2433%0.33CS..EExtended strand (participates in β ladder)trans-72.8128.6176.129.7-31.6000111L22 L23 L119 Y121L22-P77 HydrophobicContact CD1-CB 3.86Å; L22-P77 HydrophobicContact CD1-CG 4.37Å; L23-P77 PolarHBondContact N-O 3.39Å; P77-L119 WeakPolarHBondContact CA-O 3.32Å; P77-Y121 HydrophobicContact CB-CE2 4.42Å
78V91.1Very high74.3Confident0 Ų062.3 Ų62.30%035%0.348CS..EExtended strand (participates in β ladder)trans-127.3129177-173.10000108.2L23 L25 L80 L113 Y118 L119 A120 Y121L23-V78 HydrophobicContact CB-CG1 4.31Å; L23-V78 HydrophobicContact CB-CG2 4.19Å; L23-V78 HydrophobicContact CD2-CG1 4.26Å; L23-V78 HydrophobicContact CD2-CG2 4.19Å; L23-V78 HydrophobicContact CG-CG1 4.42Å; L23-V78 CarbonylContact O-C 3.57Å; L23-V78 WeakPolarHBondContact O-CA 3.48Å; L25-V78 HydrophobicContact CD1-CG1 3.68Å; L25-V78 HydrophobicContact CG-CG1 3.94Å; V78-L80 HydrophobicContact CG1-CD1 4.32Å; V78-L113 HydrophobicContact CB-CD1 4.39Å; V78-L113 HydrophobicContact CG1-CD1 3.89Å; V78-Y118 HydrophobicContact CG2-CD1 3.72Å; V78-Y118 HydrophobicContact CG2-CE1 4.5Å; V78-Y118 HydrophobicContact CG2-CG 4.27Å; V78-L119 PolarHBondContact N-O 2.9Å; V78-A120 CarbonylContact O-C 3.52Å; V78-A120 WeakPolarHBondContact O-CA 3.43Å; V78-Y121 PolarHBondContact O-N 3.36Å
79L93Very high73.7Confident0 Ų068.1 Ų68.10%036%0.356CS..EExtended strand (participates in β ladder)trans-116.3126.3173.9-177.281.6000109.7R6 W10 L11 L22 L23 L24 L25 Y121 Y122 L123R6-L79 HydrophobicContact CB-CD1 4.03Å; R6-L79 HydrophobicContact CG-CD1 4.13Å; W10-L79 HydrophobicContact CZ3-CD1 4.2Å; W10-L79 HydrophobicContact CZ3-CD2 4.25Å; L11-L79 HydrophobicContact CB-CD2 4.25Å; L11-L79 HydrophobicContact CD1-CD2 3.64Å; L11-L79 HydrophobicContact CD2-CD2 3.6Å; L11-L79 HydrophobicContact CG-CD2 4.02Å; L22-L79 HydrophobicContact CD1-CB 4.07Å; L23-L79 PolarHBondContact O-N 2.97Å; L24-L79 HydrophobicContact CD2-CB 3.93Å; L24-L79 HydrophobicContact CD2-CD2 3.76Å; L24-L79 HydrophobicContact CD2-CG 4.27Å; L25-L79 PolarHBondContact N-O 3.41Å; L79-Y121 WeakPolarHBondContact CA-O 2.83Å; L79-Y122 VanDerWaalsContact CD1-C 3.47Å; L79-L123 HydrophobicContact CD2-CB 4.41Å
80L93.4Very high72.9Confident0 Ų073.6 Ų73.60%036%0.36CS..EExtended strand (participates in β ladder)trans-105.7146.2177.3-55.697.1000110.8L25 V78 L106 L109 L110 L113 A120 Y121 Y122 L123L25-L80 HydrophobicContact CB-CD2 4.44Å; L25-L80 HydrophobicContact CB-CG 4.25Å; L25-L80 HydrophobicContact CD1-CD2 4.16Å; L25-L80 HydrophobicContact CD1-CG 4.33Å; L25-L80 WeakPolarHBondContact O-CA 3.5Å; V78-L80 HydrophobicContact CG1-CD1 4.32Å; L80-L106 HydrophobicContact CB-CD1 4.33Å; L80-L106 HydrophobicContact CB-CG 4.13Å; L80-L109 HydrophobicContact CD2-CB 3.48Å; L80-L109 VanDerWaalsContact CD2-CB 3.48Å; L80-L109 HydrophobicContact CD2-CD1 4.11Å; L80-L109 HydrophobicContact CD2-CG 4.45Å; L80-L110 HydrophobicContact CD1-CB 4.48Å; L80-L110 HydrophobicContact CD1-CD1 3.91Å; L80-L113 HydrophobicContact CD1-CD1 3.8Å; L80-L113 HydrophobicContact CD2-CD1 4Å; L80-L113 HydrophobicContact CG-CD1 4.33Å; L80-A120 HydrophobicContact CD1-CB 4.31Å; L80-Y121 VanDerWaalsContact CD1-O 3.29Å; L80-Y121 WeakPolarHBondContact CD1-O 3.4Å; L80-Y121 PolarHBondContact N-O 3.1Å; L80-Y122 CarbonylContact O-C 3.54Å; L80-Y122 WeakPolarHBondContact O-CA 3.17Å; L80-L123 PolarHBondContact O-N 2.82Å
81Y92.6Very high71.8Confident0 Ų071.4 Ų71.40%036%0.364CS..EExtended strand (participates in β ladder)trans-146.4148.4172.668-92.4000112.4L25 D26 C27 I38 A41 L123 F127L25-Y81 PolarHBondContact O-N 2.81Å; D26-Y81 HydrophobicContact CB-CE1 4.15Å; D26-Y81 HydrophobicContact CB-CE2 3.96Å; D26-Y81 WeakPolarHBondContact CB-OH 3.31Å; D26-Y81 VanDerWaalsContact CG-CZ 3.41Å; D26-Y81 VanDerWaalsContact CG-OH 3.24Å; D26-Y81 WeakPolarHBondContact OD2-CE2 3.44Å; D26-Y81 PolarHBondContact OD2-OH 3.24Å; C27-Y81 WeakPolarHBondContact CB-O 3.48Å; C27-Y81 PolarHBondContact N-O 2.83Å; I38-Y81 HydrophobicContact CB-CE1 4.22Å; I38-Y81 HydrophobicContact CD1-CD1 4Å; I38-Y81 HydrophobicContact CD1-CE1 3.78Å; I38-Y81 HydrophobicContact CD1-CE2 4.34Å; I38-Y81 HydrophobicContact CD1-CG 4.35Å; I38-Y81 HydrophobicContact CG1-CE1 4.19Å; I38-Y81 HydrophobicContact CG1-CE2 4.5Å; I38-Y81 PolarHBondContact N-OH 3.19Å; A41-Y81 HydrophobicContact CB-CE1 3.9Å; A41-Y81 VanDerWaalsContact CB-OH 3.25Å; A41-Y81 WeakPolarHBondContact CB-OH 3.45Å; Y81-L123 HydrophobicContact CG-CD2 4.25Å; Y81-F127 HydrophobicContact CD2-CB 3.84Å; Y81-F127 HydrophobicContact CD2-CD2 4.36Å; Y81-F127 HydrophobicContact CE2-CB 3.96Å; Y81-F127 AromaticContact CE2-CD2 3.75Å; Y81-F127 HydrophobicContact CE2-CD2 3.75Å; Y81-F127 HydrophobicContact CE2-CG 4.22Å
82D90.8Very high70.7Confident34 Ų3477.4 Ų77.418%0.18239%0.392CS..  trans-114.3-166.1171.570.8-32000109R28 G85 G86 L106 G126 F127R28-D82 VanDerWaalsContact CG-C 3.45Å; D82-G85 WeakPolarHBondContact OD1-CA 3.14Å; D82-G85 PolarHBondContact OD1-N 3.19Å; D82-G85 PolarHBondContact OD2-N 3Å; D82-G86 PolarHBondContact OD1-N 3.06Å; D82-G86 PolarHBondContact OD2-N 3.32Å; D82-L106 HydrophobicContact CB-CD1 3.86Å; D82-G126 WeakPolarHBondContact O-CA 3.18Å; D82-F127 PolarHBondContact O-N 3.47Å
83Q89.1Confident69.1Low65 Ų6580.9 Ų80.930%0.30442%0.423SS..SBendtrans-71-36.9-178.4-171.363.121.600112.6R28 L32 F127 S128R28-Q83 HydrophobicContact CG-CB 4.32Å; L32-Q83 HydrophobicContact CD1-CB 4.46Å; L32-Q83 HydrophobicContact CD1-CG 4.45Å; Q83-F127 PolarHBondContact O-N 3.33Å; Q83-S128 PolarHBondContact NE2-OG 3.05Å; Q83-S128 WeakPolarHBondContact O-CB 3.22Å; Q83-S128 PolarHBondContact O-N 3.46Å; Q83-S128 VanDerWaalsContact O-N 3.09Å; Q83-S128 PolarHBondContact O-OG 3.28Å
84G81.6Confident67.5Low41 Ų4185.7 Ų85.742%0.42344%0.438SS..SBendtrans-131.98.8-16600000116.3
85G65.6Low66Low7 Ų787.8 Ų87.87%0.07246%0.459CS..THydrogen-bonded Turntrans76.423.4-178.100000114.1D82 R87D82-G85 WeakPolarHBondContact OD1-CA 3.14Å; D82-G85 PolarHBondContact OD1-N 3.19Å; D82-G85 PolarHBondContact OD2-N 3Å; G85-R87 VanDerWaalsContact C-N 3.34Å; G85-R87 PolarHBondContact O-N 2.89Å
86G56.4Low64.1Low40 Ų4092.5 Ų92.541%0.41247%0.472SS..THydrogen-bonded Turntrans68.816.9176.600000116.7D82D82-G86 PolarHBondContact OD1-N 3.06Å; D82-G86 PolarHBondContact OD2-N 3.32Å
87R57.8Low61.9Low181 Ų18196.6 Ų96.668%0.68351%0.506SS*.  trans-104.3120.6-177.3-72-178.1174.7-136.2-12.2112.2G85 E98G85-R87 VanDerWaalsContact C-N 3.34Å; G85-R87 PolarHBondContact O-N 2.89Å; R87-E98 IonicContact CZ-OE1 3.1Å; R87-E98 IonicContact NH2-OE1 2.83Å; R87-E98 PolarHBondContact NH2-OE1 3.43Å; R87-E98 IonicContact NH2-OE2 2.92Å; R87-E98 PolarHBondContact NH2-OE2 2.66Å
88R47Very low59.9Low230 Ų230101.8 Ų101.887%0.86853%0.527SS*.  trans-94.7126.5151.9-83.1-171.3177.4-154.40.7108.3R90R88-R90 PolarHBondContact O-N 2.78Å
89R39.9Very low57.8Low236 Ų236110.7 Ų110.789%0.89157%0.569SS**  trans-68.795.4171-162.6-178.9-164.6-168.51.6107.5
90R37.3Very low56Low242 Ų242114.4 Ų114.491%0.91358%0.583SS**  trans-74.9136.8159-156.9172.9-158.7-134.62.5106.8R88R88-R90 PolarHBondContact O-N 2.78Å
91G36.4Very low54.1Low64 Ų64120.8 Ų120.866%0.6661%0.613SS**  trans-51.9155.1-169.100000114.6A93G91-A93 PolarHBondContact O-N 2.74Å
92E42Very low52.2Low186 Ų186123.9 Ų123.987%0.86964%0.638SS**SBendtrans-29108.3171.5-63.5158.2-17100114.1
93A35.8Very low50.9Low98 Ų98128.1 Ų128.181%0.8166%0.657SS**  trans-174.9151.1145.200000108.3G91G91-A93 PolarHBondContact O-N 2.74Å
94E41.1Very low50.4Low188 Ų188126.6 Ų126.688%0.87965%0.653SS**  trans-68155.9-159.8-65.2161.1161.100114.6
95A45.1Very low50.5Low89 Ų89126.3 Ų126.374%0.73664%0.643SS**  trans28.3101.2158.600000117.3
96E36Very low51.6Low199 Ų199126.4 Ų126.493%0.9364%0.642SS**  trans-175.3135.5139.3-100.2158.3-152.200111.2
97A39.1Very low53Low91 Ų91125 Ų12575%0.75263%0.628SS**  trans16.1109.4175.700000119.6E99A97-E99 PolarHBondContact O-N 2.58Å
98E47.1Very low54.4Low147 Ų147116.6 Ų116.669%0.68760%0.596SS**  trans-64.391.1172.3-62.1-158.2146.400112.6R87R87-E98 IonicContact CZ-OE1 3.1Å; R87-E98 IonicContact NH2-OE1 2.83Å; R87-E98 PolarHBondContact NH2-OE1 3.43Å; R87-E98 IonicContact NH2-OE2 2.92Å; R87-E98 PolarHBondContact NH2-OE2 2.66Å
99E46.6Very low56.4Low187 Ų187105.7 Ų105.787%0.87456%0.556SS**  trans-93.5125.2174.4-104.4-179.9174.200112.4A97A97-E99 PolarHBondContact O-N 2.58Å
100W54.9Low58.7Low78 Ų7894.7 Ų94.730%0.29551%0.514SS..  trans-78.5152.2174.4-70.443.9000109.6A102 L106 L110 Y122W100-A102 VanDerWaalsContact C-N 3.28Å; W100-A102 PolarHBondContact O-N 2.93Å; W100-L106 HydrophobicContact CE3-CD2 4.42Å; W100-L106 HydrophobicContact CH2-CD2 4.15Å; W100-L106 HydrophobicContact CZ3-CD2 3.44Å; W100-L106 VanDerWaalsContact CZ3-CD2 3.44Å; W100-L110 HydrophobicContact CH2-CD2 4.09Å; W100-L110 HydrophobicContact CZ3-CD2 3.98Å; W100-Y122 AromaticContact CH2-CD1 3.33Å; W100-Y122 HydrophobicContact CH2-CD1 3.33Å; W100-Y122 AromaticContact CH2-CD2 3.63Å; W100-Y122 HydrophobicContact CH2-CD2 3.63Å; W100-Y122 AromaticContact CH2-CE1 3.41Å; W100-Y122 HydrophobicContact CH2-CE1 3.41Å; W100-Y122 VanDerWaalsContact CH2-CE1 3.41Å; W100-Y122 AromaticContact CH2-CE2 3.73Å; W100-Y122 HydrophobicContact CH2-CE2 3.73Å; W100-Y122 AromaticContact CH2-CG 3.45Å; W100-Y122 HydrophobicContact CH2-CG 3.45Å; W100-Y122 VanDerWaalsContact CH2-CG 3.45Å; W100-Y122 AromaticContact CH2-CZ 3.63Å; W100-Y122 AromaticContact CZ2-CD1 3.77Å; W100-Y122 HydrophobicContact CZ2-CD1 3.77Å; W100-Y122 HydrophobicContact CZ2-CD2 4.16Å; W100-Y122 AromaticContact CZ2-CE1 3.29Å; W100-Y122 HydrophobicContact CZ2-CE1 3.29Å; W100-Y122 AromaticContact CZ2-CE2 3.75Å; W100-Y122 HydrophobicContact CZ2-CE2 3.75Å; W100-Y122 HydrophobicContact CZ2-CG 4.17Å; W100-Y122 AromaticContact CZ2-CZ 3.31Å; W100-Y122 HydrophobicContact CZ3-CD1 4.45Å; W100-Y122 HydrophobicContact CZ3-CG 4.44Å
101E54.2Low61.1Low134 Ų13487.8 Ų87.863%0.62649%0.493SS*.  trans-65.995.5159.5-77.5-173.4-179.100108.1E103 S104E101-E103 PolarHBondContact O-N 3.25Å; E101-S104 PolarHBondContact O-N 3.04Å; E101-S104 PolarHBondContact O-OG 3.33Å; E101-S104 VanDerWaalsContact O-OG 3.05Å
102A52.6Low63.6Low65 Ų6586 Ų8654%0.53747%0.467SS..THydrogen-bonded Turntrans-52.5-15.3172.700000112.7W100W100-A102 VanDerWaalsContact C-N 3.28Å; W100-A102 PolarHBondContact O-N 2.93Å
103E62.6Low65.8Low122 Ų12277.2 Ų77.257%0.5743%0.425SS*.THydrogen-bonded Turntrans-89.6-5.2-179.2-65.2-60.9128.400114.8R55 E101R55-E103 IonicContact CZ-OE2 3.29Å; R55-E103 IonicContact NH1-OE1 2.89Å; R55-E103 IonicContact NH1-OE2 2.81Å; R55-E103 PolarHBondContact NH1-OE2 2.88Å; R55-E103 PolarHBondContact NH2-O 2.85Å; R55-E103 IonicContact NH2-OE2 3.75Å; R55-E103 PolarHBondContact NH2-OE2 2.74Å; R55-E103 VanDerWaalsContact NH2-OE2 3.16Å; E101-E103 PolarHBondContact O-N 3.25Å
104S79.4Confident68.3Low33 Ų3378.3 Ų78.323%0.23141%0.408CS..SBendtrans-74.8151.6176.866.20000112.8E101 L106 G107 T108E101-S104 PolarHBondContact O-N 3.04Å; E101-S104 PolarHBondContact O-OG 3.33Å; E101-S104 VanDerWaalsContact O-OG 3.05Å; S104-L106 VanDerWaalsContact C-N 3.28Å; S104-L106 PolarHBondContact O-N 3.08Å; S104-G107 PolarHBondContact O-N 3.44Å; S104-G107 PolarHBondContact OG-N 3.49Å; S104-G107 VanDerWaalsContact OG-N 3.07Å; S104-T108 PolarHBondContact O-N 3.44Å; S104-T108 PolarHBondContact O-OG1 2.86Å
105V84.5Confident70.6Confident36 Ų3674.5 Ų74.522%0.21839%0.391CS..Hα-helixtrans-55.7-46.1174.5172.40000110.7C27 L46 L51 L109C27-V105 HydrophobicContact CB-CG1 4.17Å; L46-V105 HydrophobicContact CD1-CG1 4.23Å; L51-V105 HydrophobicContact CD1-CG2 4.39Å; L51-V105 HydrophobicContact CD2-CG2 4.24Å; V105-L109 HydrophobicContact CG1-CD1 3.83Å; V105-L109 WeakPolarHBondContact O-CB 2.93Å; V105-L109 WeakPolarHBondContact O-CG 3.07Å; V105-L109 PolarHBondContact O-N 3.41Å
106L88.3Confident72.6Confident8 Ų873 Ų734%0.04237%0.369CS..Hα-helixtrans-62.2-46.8178.8-173.6152.5000111.5C27 L80 D82 W100 S104 L109 L110C27-L106 HydrophobicContact CB-CB 4.17Å; L80-L106 HydrophobicContact CB-CD1 4.33Å; L80-L106 HydrophobicContact CB-CG 4.13Å; D82-L106 HydrophobicContact CB-CD1 3.86Å; W100-L106 HydrophobicContact CE3-CD2 4.42Å; W100-L106 HydrophobicContact CH2-CD2 4.15Å; W100-L106 HydrophobicContact CZ3-CD2 3.44Å; W100-L106 VanDerWaalsContact CZ3-CD2 3.44Å; S104-L106 VanDerWaalsContact C-N 3.28Å; S104-L106 PolarHBondContact O-N 3.08Å; L106-L109 PolarHBondContact O-N 3.43Å; L106-L110 WeakPolarHBondContact O-CB 3.48Å; L106-L110 PolarHBondContact O-N 2.99Å
107G86.1Confident75Confident11 Ų1165.5 Ų65.511%0.11334%0.344CS..Hα-helixtrans-62.5-46.9178.700000112.7S104 L109 L110 Q111S104-G107 PolarHBondContact O-N 3.44Å; S104-G107 PolarHBondContact OG-N 3.49Å; S104-G107 VanDerWaalsContact OG-N 3.07Å; G107-L109 PolarHBondContact O-N 2.91Å; G107-L110 PolarHBondContact O-N 3.24Å; G107-Q111 PolarHBondContact O-N 3.43Å
108T86.5Confident77.4Confident4 Ų461.4 Ų61.43%0.02531%0.31CS..Hα-helixtrans-61.4-45.6178.7-61.90000111.4L51 L54 R55 S104 K112L51-T108 HydrophobicContact CD1-CG2 3.66Å; L51-T108 HydrophobicContact CG-CG2 4.41Å; L54-T108 HydrophobicContact CB-CG2 4.34Å; R55-T108 HydrophobicContact CG-CG2 3.66Å; R55-T108 PolarHBondContact NE-OG1 3.14Å; S104-T108 PolarHBondContact O-N 3.44Å; S104-T108 PolarHBondContact O-OG1 2.86Å; T108-K112 HydrophobicContact CG2-CG 4.47Å; T108-K112 WeakPolarHBondContact O-CB 3.36Å; T108-K112 VanDerWaalsContact O-CG 3.27Å; T108-K112 WeakPolarHBondContact O-CG 3.4Å; T108-K112 PolarHBondContact O-N 2.82Å
109L88.1Confident79.5Confident2 Ų258.3 Ų58.31%0.0130%0.297CS..Hα-helixtrans-67.7-42.9179.2-77.9172.2000112.5V44 L46 L54 V61 L64 L80 V105 L106 G107 Q111 K112 L113V44-L109 HydrophobicContact CB-CD1 4.44Å; V44-L109 HydrophobicContact CG1-CD1 3.58Å; L46-L109 HydrophobicContact CD1-CD1 3.88Å; L46-L109 HydrophobicContact CD1-CD2 3.88Å; L46-L109 HydrophobicContact CD1-CG 3.93Å; L54-L109 HydrophobicContact CD1-CD2 4.33Å; V61-L109 HydrophobicContact CG1-CD2 4.24Å; L64-L109 HydrophobicContact CD1-CD2 3.8Å; L80-L109 HydrophobicContact CD2-CB 3.48Å; L80-L109 VanDerWaalsContact CD2-CB 3.48Å; L80-L109 HydrophobicContact CD2-CD1 4.11Å; L80-L109 HydrophobicContact CD2-CG 4.45Å; V105-L109 HydrophobicContact CG1-CD1 3.83Å; V105-L109 WeakPolarHBondContact O-CB 2.93Å; V105-L109 WeakPolarHBondContact O-CG 3.07Å; V105-L109 PolarHBondContact O-N 3.41Å; L106-L109 PolarHBondContact O-N 3.43Å; G107-L109 PolarHBondContact O-N 2.91Å; L109-Q111 VanDerWaalsContact C-N 3.3Å; L109-Q111 PolarHBondContact O-N 2.94Å; L109-K112 PolarHBondContact O-N 2.86Å; L109-L113 VanDerWaalsContact O-CB 3.3Å; L109-L113 WeakPolarHBondContact O-CB 3.47Å; L109-L113 VanDerWaalsContact O-CG 3.31Å; L109-L113 WeakPolarHBondContact O-CG 3.26Å; L109-L113 PolarHBondContact O-N 3.26Å
110L89.1Confident81.7Confident4 Ų449.5 Ų49.52%0.02126%0.256CS..Hα-helixtrans-57.5-45.5177.2-177.669.2000110.7L4 L80 W100 L106 G107 R114 A120 Y122L4-L110 HydrophobicContact CD1-CD2 4.12Å; L80-L110 HydrophobicContact CD1-CB 4.48Å; L80-L110 HydrophobicContact CD1-CD1 3.91Å; W100-L110 HydrophobicContact CH2-CD2 4.09Å; W100-L110 HydrophobicContact CZ3-CD2 3.98Å; L106-L110 WeakPolarHBondContact O-CB 3.48Å; L106-L110 PolarHBondContact O-N 2.99Å; G107-L110 PolarHBondContact O-N 3.24Å; L110-R114 WeakPolarHBondContact O-CG 3.45Å; L110-R114 PolarHBondContact O-N 3.04Å; L110-A120 HydrophobicContact CD1-CB 3.8Å; L110-Y122 HydrophobicContact CD2-CD1 4.14Å
111Q87.7Confident83.5Confident98 Ų9847.9 Ų47.946%0.45825%0.251SS..Hα-helixtrans-62.5-52.4176.3-178.9-179.8-12.600111.5G107 L109 L113 R114 E115G107-Q111 PolarHBondContact O-N 3.43Å; L109-Q111 VanDerWaalsContact C-N 3.3Å; L109-Q111 PolarHBondContact O-N 2.94Å; Q111-L113 PolarHBondContact O-N 2.91Å; Q111-R114 PolarHBondContact O-N 3.29Å; Q111-R114 VanDerWaalsContact O-N 3.15Å; Q111-E115 WeakPolarHBondContact CG-OE1 3.48Å; Q111-E115 PolarHBondContact NE2-OE1 3.4Å; Q111-E115 PolarHBondContact O-N 3.12Å
112K88.3Confident85.3Confident27 Ų2742.6 Ų42.612%0.11723%0.225CC..Hα-helixtrans-65.8-37-174.8-70-75.3158.1-164.20113.2L54 V61 T108 L109 R114 E115 E116L54-K112 WeakPolarHBondContact O-CD 3.37Å; L54-K112 WeakPolarHBondContact O-CE 3.42Å; V61-K112 HydrophobicContact CG2-CB 3.43Å; V61-K112 VanDerWaalsContact CG2-CB 3.43Å; T108-K112 HydrophobicContact CG2-CG 4.47Å; T108-K112 WeakPolarHBondContact O-CB 3.36Å; T108-K112 VanDerWaalsContact O-CG 3.27Å; T108-K112 WeakPolarHBondContact O-CG 3.4Å; T108-K112 PolarHBondContact O-N 2.82Å; L109-K112 PolarHBondContact O-N 2.86Å; K112-R114 VanDerWaalsContact C-N 3.29Å; K112-R114 PolarHBondContact O-N 2.97Å; K112-E115 WeakPolarHBondContact CD-OE2 3.39Å; K112-E115 WeakPolarHBondContact CE-OE2 3.47Å; K112-E115 IonicContact NZ-OE1 3.85Å; K112-E115 IonicContact NZ-OE2 3.45Å; K112-E115 PolarHBondContact NZ-OE2 2.87Å; K112-E115 PolarHBondContact O-N 2.86Å; K112-E116 WeakPolarHBondContact O-CG 3.43Å; K112-E116 PolarHBondContact O-N 3.23Å
113L88.7Confident87.2Confident0 Ų039.5 Ų39.50%020%0.199CC..Hα-helixtrans-60.5-40.3173.9-80.2164.9000111.6L25 V61 V78 L80 L109 Q111 E116 G117 Y118 A120L25-L113 HydrophobicContact CD1-CD1 4.26Å; V61-L113 HydrophobicContact CB-CD2 3.98Å; V61-L113 HydrophobicContact CB-CG 4.34Å; V61-L113 HydrophobicContact CG1-CD1 4.49Å; V61-L113 HydrophobicContact CG1-CD2 3.34Å; V61-L113 HydrophobicContact CG1-CG 3.71Å; V61-L113 HydrophobicContact CG2-CD2 4.45Å; V61-L113 HydrophobicContact CG2-CG 4.3Å; V78-L113 HydrophobicContact CB-CD1 4.39Å; V78-L113 HydrophobicContact CG1-CD1 3.89Å; L80-L113 HydrophobicContact CD1-CD1 3.8Å; L80-L113 HydrophobicContact CD2-CD1 4Å; L80-L113 HydrophobicContact CG-CD1 4.33Å; L109-L113 VanDerWaalsContact O-CB 3.3Å; L109-L113 WeakPolarHBondContact O-CB 3.47Å; L109-L113 VanDerWaalsContact O-CG 3.31Å; L109-L113 WeakPolarHBondContact O-CG 3.26Å; L109-L113 PolarHBondContact O-N 3.26Å; Q111-L113 PolarHBondContact O-N 2.91Å; L113-E116 CarbonylContact O-C 3.51Å; L113-E116 PolarHBondContact O-N 2.94Å; L113-G117 PolarHBondContact O-N 2.93Å; L113-Y118 HydrophobicContact CB-CD2 4.46Å; L113-Y118 HydrophobicContact CD2-CD1 4.38Å; L113-Y118 HydrophobicContact CD2-CD2 3.64Å; L113-Y118 HydrophobicContact CD2-CE2 4.04Å; L113-Y118 HydrophobicContact CD2-CG 3.82Å; L113-Y118 WeakPolarHBondContact O-CB 3.5Å; L113-Y118 WeakPolarHBondContact O-CD2 3.39Å; L113-Y118 PolarHBondContact O-N 3.06Å; L113-A120 HydrophobicContact CB-CB 3.69Å; L113-A120 HydrophobicContact CD1-CB 4.22Å
114R88.8Confident88.6Confident121 Ų12137.4 Ų37.446%0.45719%0.19SC..Hα-helixtrans-71.4-39.1178.1-65.8-172.773.6-151.80.5112.3L110 Q111 K112 E116 G117 A120L110-R114 WeakPolarHBondContact O-CG 3.45Å; L110-R114 PolarHBondContact O-N 3.04Å; Q111-R114 PolarHBondContact O-N 3.29Å; Q111-R114 VanDerWaalsContact O-N 3.15Å; K112-R114 VanDerWaalsContact C-N 3.29Å; K112-R114 PolarHBondContact O-N 2.97Å; R114-E116 PolarHBondContact O-N 2.63Å; R114-G117 PolarHBondContact O-N 3.36Å; R114-A120 HydrophobicContact CG-CB 3.83Å
115E88.8Confident88.8Confident108 Ų10837.1 Ų37.151%0.50519%0.192SC..Hα-helixtrans-57.6-35.2171.9-71173.8-17000111.5Q111 K112 G117Q111-E115 WeakPolarHBondContact CG-OE1 3.48Å; Q111-E115 PolarHBondContact NE2-OE1 3.4Å; Q111-E115 PolarHBondContact O-N 3.12Å; K112-E115 WeakPolarHBondContact CD-OE2 3.39Å; K112-E115 WeakPolarHBondContact CE-OE2 3.47Å; K112-E115 IonicContact NZ-OE1 3.85Å; K112-E115 IonicContact NZ-OE2 3.45Å; K112-E115 PolarHBondContact NZ-OE2 2.87Å; K112-E115 PolarHBondContact O-N 2.86Å; E115-G117 VanDerWaalsContact C-N 3.32Å; E115-G117 PolarHBondContact O-N 3.38Å
116E86.8Confident89.1Confident58 Ų5835.4 Ų35.427%0.27118%0.182SC..THydrogen-bonded Turntrans-87.19.4176.1-67-173.3-162.600114.5S60 V61 R62 K112 L113 R114 Y118S60-E116 WeakPolarHBondContact CA-OE1 3.47Å; S60-E116 VanDerWaalsContact CB-OE1 3.28Å; S60-E116 WeakPolarHBondContact CB-OE1 3.44Å; S60-E116 PolarHBondContact OG-OE1 3.29Å; S60-E116 PolarHBondContact OG-OE2 2.84Å; V61-E116 PolarHBondContact N-OE1 3.3Å; V61-E116 PolarHBondContact N-OE2 3Å; R62-E116 PolarHBondContact N-OE2 3.41Å; K112-E116 WeakPolarHBondContact O-CG 3.43Å; K112-E116 PolarHBondContact O-N 3.23Å; L113-E116 CarbonylContact O-C 3.51Å; L113-E116 PolarHBondContact O-N 2.94Å; R114-E116 PolarHBondContact O-N 2.63Å; E116-Y118 HydrophobicContact CB-CD2 4.12Å; E116-Y118 HydrophobicContact CB-CE2 4.16Å
117G87.3Confident89.4Confident41 Ų4135.1 Ų35.142%0.42318%0.18SC..THydrogen-bonded Turntrans87.210.5171.400000116.4L113 R114 E115L113-G117 PolarHBondContact O-N 2.93Å; R114-G117 PolarHBondContact O-N 3.36Å; E115-G117 VanDerWaalsContact C-N 3.32Å; E115-G117 PolarHBondContact O-N 3.38Å
118Y89.5Confident89.6Confident6 Ų637 Ų372%0.02419%0.192CC..  trans-78.6151.9174.9-67.4-93.9000112.5R62 L65 P74 A76 V78 L113 E116 A120R62-Y118 HydrophobicContact CG-CE2 4.38Å; R62-Y118 WeakPolarHBondContact CG-OH 3.44Å; R62-Y118 PolarHBondContact NE-OH 2.93Å; L65-Y118 HydrophobicContact CD1-CE1 4.44Å; P74-Y118 HydrophobicContact CG-CD1 4.46Å; P74-Y118 HydrophobicContact CG-CD2 4.25Å; P74-Y118 HydrophobicContact CG-CE1 4.11Å; P74-Y118 HydrophobicContact CG-CE2 3.91Å; A76-Y118 HydrophobicContact CB-CD1 4.15Å; A76-Y118 HydrophobicContact CB-CE1 4.37Å; V78-Y118 HydrophobicContact CG2-CD1 3.72Å; V78-Y118 HydrophobicContact CG2-CE1 4.5Å; V78-Y118 HydrophobicContact CG2-CG 4.27Å; L113-Y118 HydrophobicContact CB-CD2 4.46Å; L113-Y118 HydrophobicContact CD2-CD1 4.38Å; L113-Y118 HydrophobicContact CD2-CD2 3.64Å; L113-Y118 HydrophobicContact CD2-CE2 4.04Å; L113-Y118 HydrophobicContact CD2-CG 3.82Å; L113-Y118 WeakPolarHBondContact O-CB 3.5Å; L113-Y118 WeakPolarHBondContact O-CD2 3.39Å; L113-Y118 PolarHBondContact O-N 3.06Å; E116-Y118 HydrophobicContact CB-CD2 4.12Å; E116-Y118 HydrophobicContact CB-CE2 4.16Å; Y118-A120 VanDerWaalsContact C-N 3.28Å; Y118-A120 PolarHBondContact O-N 3.44Å; Y118-A120 VanDerWaalsContact O-N 3.07Å
119L91.3Very high89.8Confident81 Ų8143.3 Ų43.342%0.42422%0.215SC..EExtended strand (participates in β ladder)trans-84.175.2169.5-59.5179000108.7P75 A76 P77 V78 Y121P75-L119 HydrophobicContact CB-CD1 4.32Å; P75-L119 HydrophobicContact CB-CG 4.15Å; A76-L119 PolarHBondContact O-N 3.32Å; P77-L119 WeakPolarHBondContact CA-O 3.32Å; V78-L119 PolarHBondContact N-O 2.9Å; L119-Y121 HydrophobicContact CB-CE2 4.19Å; L119-Y121 WeakPolarHBondContact O-CD2 3.5Å; L119-Y121 WeakPolarHBondContact O-CE2 3.27Å
120A91.4Very high90.1Very high2 Ų243.2 Ų43.22%0.01721%0.214CC..EExtended strand (participates in β ladder)trans-89.4131.9-174.300000112.8V78 L80 L110 L113 R114 Y118V78-A120 CarbonylContact O-C 3.52Å; V78-A120 WeakPolarHBondContact O-CA 3.43Å; L80-A120 HydrophobicContact CD1-CB 4.31Å; L110-A120 HydrophobicContact CD1-CB 3.8Å; L113-A120 HydrophobicContact CB-CB 3.69Å; L113-A120 HydrophobicContact CD1-CB 4.22Å; R114-A120 HydrophobicContact CG-CB 3.83Å; Y118-A120 VanDerWaalsContact C-N 3.28Å; Y118-A120 PolarHBondContact O-N 3.44Å; Y118-A120 VanDerWaalsContact O-N 3.07Å
121Y92.9Very high90.3Very high45 Ų4546.4 Ų46.418%0.17623%0.229CC..EExtended strand (participates in β ladder)trans-129.1166.8-178.5-55.8-62.1000110.5L4 R6 W10 P77 V78 L79 L80 L119L4-Y121 WeakPolarHBondContact O-CA 3.48Å; R6-Y121 HydrophobicContact CG-CD1 4.44Å; R6-Y121 HydrophobicContact CG-CG 4.1Å; R6-Y121 VanDerWaalsContact CZ-CD1 3.49Å; W10-Y121 HydrophobicContact CH2-CD2 4.21Å; P77-Y121 HydrophobicContact CB-CE2 4.42Å; V78-Y121 PolarHBondContact O-N 3.36Å; L79-Y121 WeakPolarHBondContact CA-O 2.83Å; L80-Y121 VanDerWaalsContact CD1-O 3.29Å; L80-Y121 WeakPolarHBondContact CD1-O 3.4Å; L80-Y121 PolarHBondContact N-O 3.1Å; L119-Y121 HydrophobicContact CB-CE2 4.19Å; L119-Y121 WeakPolarHBondContact O-CD2 3.5Å; L119-Y121 WeakPolarHBondContact O-CE2 3.27Å
122Y92.4Very high90.4Very high22 Ų2245.7 Ų45.79%0.08624%0.24CC..EExtended strand (participates in β ladder)trans-128.1154.7170.172.8-85.6000112.6L4 R6 L79 L80 W100 L110 Q124L4-Y122 VanDerWaalsContact C-CE1 3.44Å; L4-Y122 HydrophobicContact CB-CD1 3.95Å; L4-Y122 HydrophobicContact CB-CE1 3.83Å; L4-Y122 PolarHBondContact O-N 3.11Å; R6-Y122 PolarHBondContact N-O 2.85Å; L79-Y122 VanDerWaalsContact CD1-C 3.47Å; L80-Y122 CarbonylContact O-C 3.54Å; L80-Y122 WeakPolarHBondContact O-CA 3.17Å; W100-Y122 AromaticContact CH2-CD1 3.33Å; W100-Y122 HydrophobicContact CH2-CD1 3.33Å; W100-Y122 AromaticContact CH2-CD2 3.63Å; W100-Y122 HydrophobicContact CH2-CD2 3.63Å; W100-Y122 AromaticContact CH2-CE1 3.41Å; W100-Y122 HydrophobicContact CH2-CE1 3.41Å; W100-Y122 VanDerWaalsContact CH2-CE1 3.41Å; W100-Y122 AromaticContact CH2-CE2 3.73Å; W100-Y122 HydrophobicContact CH2-CE2 3.73Å; W100-Y122 AromaticContact CH2-CG 3.45Å; W100-Y122 HydrophobicContact CH2-CG 3.45Å; W100-Y122 VanDerWaalsContact CH2-CG 3.45Å; W100-Y122 AromaticContact CH2-CZ 3.63Å; W100-Y122 AromaticContact CZ2-CD1 3.77Å; W100-Y122 HydrophobicContact CZ2-CD1 3.77Å; W100-Y122 HydrophobicContact CZ2-CD2 4.16Å; W100-Y122 AromaticContact CZ2-CE1 3.29Å; W100-Y122 HydrophobicContact CZ2-CE1 3.29Å; W100-Y122 AromaticContact CZ2-CE2 3.75Å; W100-Y122 HydrophobicContact CZ2-CE2 3.75Å; W100-Y122 HydrophobicContact CZ2-CG 4.17Å; W100-Y122 AromaticContact CZ2-CZ 3.31Å; W100-Y122 HydrophobicContact CZ3-CD1 4.45Å; W100-Y122 HydrophobicContact CZ3-CG 4.44Å; L110-Y122 HydrophobicContact CD2-CD1 4.14Å; Y122-Q124 HydrophobicContact CE2-CG 3.93Å
123L93.6Very high90.6Very high0 Ų048.6 Ų48.60%025%0.254CS..EExtended strand (participates in β ladder)trans-82.9117.4177.7-172.857.7000111.6L11 I38 L79 L80 Y81 G125 G126 F130L11-L123 HydrophobicContact CB-CD1 4.23Å; L11-L123 HydrophobicContact CD2-CD1 3.93Å; L11-L123 HydrophobicContact CD2-CD2 3.99Å; I38-L123 HydrophobicContact CD1-CD2 3.72Å; L79-L123 HydrophobicContact CD2-CB 4.41Å; L80-L123 PolarHBondContact O-N 2.82Å; Y81-L123 HydrophobicContact CG-CD2 4.25Å; L123-G125 PolarHBondContact O-N 3.15Å; L123-G126 PolarHBondContact O-N 3.38Å; L123-G126 VanDerWaalsContact O-N 3.15Å; L123-F130 HydrophobicContact CD1-CD2 4.29Å; L123-F130 HydrophobicContact CD2-CB 3.8Å; L123-F130 HydrophobicContact CD2-CD2 4.24Å; L123-F130 HydrophobicContact CD2-CG 4.11Å
124Q90.4Very high90.6Very high79 Ų7948.7 Ų48.737%0.36926%0.255SS..THydrogen-bonded Turntrans-67.4124.7177.7-70.4175.4-11.900110.9R6 Y122R6-Q124 WeakPolarHBondContact O-CB 3.35Å; R6-Q124 PolarHBondContact O-N 3.35Å; Y122-Q124 HydrophobicContact CE2-CG 3.93Å
125G84.8Confident90.7Very high27 Ų2746.8 Ų46.828%0.27826%0.258SS..THydrogen-bonded Turntrans79.62.8-17600000114.6L123 R129L123-G125 PolarHBondContact O-N 3.15Å; G125-R129 VanDerWaalsContact O-CB 3.31Å; G125-R129 WeakPolarHBondContact O-CB 3.36Å; G125-R129 PolarHBondContact O-N 2.95Å
126G91.4Very high90.8Very high0 Ų047.6 Ų47.60%026%0.262CS..Hα-helixtrans62.9-165.4173.700000114.5D82 L123 S128 F130D82-G126 WeakPolarHBondContact O-CA 3.18Å; L123-G126 PolarHBondContact O-N 3.38Å; L123-G126 VanDerWaalsContact O-N 3.15Å; G126-S128 VanDerWaalsContact C-N 3.35Å; G126-S128 PolarHBondContact O-N 3.35Å; G126-F130 PolarHBondContact O-N 2.95Å
127F94.1Very high91Very high2 Ų246.9 Ų46.91%0.00926%0.259CS..Hα-helixtrans-61.2-41-179.8-177.7-101.3000112.6R28 A36 I38 Y81 D82 Q83 R129 F130 Q131 C138R28-F127 VanDerWaalsContact CZ-CG 3.46Å; A36-F127 HydrophobicContact CB-CE1 3.91Å; A36-F127 HydrophobicContact CB-CZ 3.67Å; A36-F127 WeakPolarHBondContact O-CZ 3.38Å; I38-F127 HydrophobicContact CD1-CD2 4.37Å; I38-F127 HydrophobicContact CG1-CD2 3.87Å; I38-F127 HydrophobicContact CG1-CE2 3.93Å; Y81-F127 HydrophobicContact CD2-CB 3.84Å; Y81-F127 HydrophobicContact CD2-CD2 4.36Å; Y81-F127 HydrophobicContact CE2-CB 3.96Å; Y81-F127 AromaticContact CE2-CD2 3.75Å; Y81-F127 HydrophobicContact CE2-CD2 3.75Å; Y81-F127 HydrophobicContact CE2-CG 4.22Å; D82-F127 PolarHBondContact O-N 3.47Å; Q83-F127 PolarHBondContact O-N 3.33Å; F127-R129 VanDerWaalsContact C-N 3.31Å; F127-R129 PolarHBondContact O-N 3.19Å; F127-F130 PolarHBondContact O-N 3.36Å; F127-F130 VanDerWaalsContact O-N 3.15Å; F127-Q131 HydrophobicContact CD1-CB 4.36Å; F127-Q131 HydrophobicContact CE1-CB 3.98Å; F127-Q131 HydrophobicContact CE1-CG 4.21Å; F127-Q131 HydrophobicContact CZ-CB 4.1Å; F127-Q131 HydrophobicContact CZ-CG 4.25Å; F127-Q131 WeakPolarHBondContact O-CB 3.44Å; F127-Q131 PolarHBondContact O-N 2.91Å; F127-C138 HydrophobicContact CZ-CB 4.46Å
128S90Very high91.2Very high51 Ų5145.7 Ų45.736%0.35725%0.245SC..Hα-helixtrans-58.6-43.9-174.9-52.60000111.7Q83 G126 A132Q83-S128 PolarHBondContact NE2-OG 3.05Å; Q83-S128 WeakPolarHBondContact O-CB 3.22Å; Q83-S128 PolarHBondContact O-N 3.46Å; Q83-S128 VanDerWaalsContact O-N 3.09Å; Q83-S128 PolarHBondContact O-OG 3.28Å; G126-S128 VanDerWaalsContact C-N 3.35Å; G126-S128 PolarHBondContact O-N 3.35Å; S128-A132 PolarHBondContact O-N 2.99Å
129R91Very high91.1Very high135 Ų13549.4 Ų49.451%0.50926%0.262SS..Hα-helixtrans-69.4-43.3177.6-173.7178.7178.2163.93.1111.7G125 F127 Q131 A132 E133G125-R129 VanDerWaalsContact O-CB 3.31Å; G125-R129 WeakPolarHBondContact O-CB 3.36Å; G125-R129 PolarHBondContact O-N 2.95Å; F127-R129 VanDerWaalsContact C-N 3.31Å; F127-R129 PolarHBondContact O-N 3.19Å; R129-Q131 PolarHBondContact O-N 3.35Å; R129-A132 PolarHBondContact O-N 3.37Å; R129-E133 WeakPolarHBondContact CG-OE1 3.27Å; R129-E133 IonicContact CZ-OE1 3.15Å; R129-E133 IonicContact NE-OE1 3.41Å; R129-E133 PolarHBondContact NE-OE1 3.38Å; R129-E133 IonicContact NH2-OE1 2.76Å; R129-E133 PolarHBondContact NH2-OE1 2.89Å; R129-E133 WeakPolarHBondContact O-CG 3.35Å; R129-E133 PolarHBondContact O-N 2.96Å
130F93.8Very high90.9Very high0 Ų048.2 Ų48.20%026%0.258CS..Hα-helixtrans-64.6-40.5179.5-172.7-90.4000112.4C8 L11 L15 I38 L123 G126 F127 A132 E133 C134 L137C8-F130 HydrophobicContact CB-CD2 3.77Å; C8-F130 HydrophobicContact CB-CE2 4.44Å; C8-F130 VanDerWaalsContact SG-CA 3.58Å; L11-F130 HydrophobicContact CB-CD2 4.49Å; L11-F130 HydrophobicContact CB-CE2 3.91Å; L11-F130 HydrophobicContact CD2-CD2 3.86Å; L11-F130 HydrophobicContact CD2-CE2 3.55Å; L11-F130 HydrophobicContact CD2-CZ 3.93Å; L11-F130 HydrophobicContact CG-CD2 4.42Å; L11-F130 HydrophobicContact CG-CE2 3.69Å; L11-F130 HydrophobicContact CG-CZ 4.08Å; L15-F130 HydrophobicContact CD1-CZ 4.11Å; I38-F130 HydrophobicContact CB-CE1 4.49Å; I38-F130 HydrophobicContact CD1-CB 4.4Å; I38-F130 HydrophobicContact CD1-CD1 3.53Å; I38-F130 HydrophobicContact CD1-CE1 3.87Å; I38-F130 HydrophobicContact CD1-CG 3.88Å; I38-F130 HydrophobicContact CD1-CZ 4.49Å; I38-F130 HydrophobicContact CG1-CD1 3.61Å; I38-F130 HydrophobicContact CG1-CE1 3.77Å; I38-F130 HydrophobicContact CG1-CG 4.44Å; I38-F130 HydrophobicContact CG2-CE1 4.04Å; I38-F130 HydrophobicContact CG2-CZ 4.47Å; L123-F130 HydrophobicContact CD1-CD2 4.29Å; L123-F130 HydrophobicContact CD2-CB 3.8Å; L123-F130 HydrophobicContact CD2-CD2 4.24Å; L123-F130 HydrophobicContact CD2-CG 4.11Å; G126-F130 PolarHBondContact O-N 2.95Å; F127-F130 PolarHBondContact O-N 3.36Å; F127-F130 VanDerWaalsContact O-N 3.15Å; F130-A132 VanDerWaalsContact C-N 3.32Å; F130-A132 PolarHBondContact O-N 3.28Å; F130-E133 PolarHBondContact O-N 2.89Å; F130-C134 HydrophobicContact CD1-CB 4.32Å; F130-C134 HydrophobicContact CE1-CB 3.93Å; F130-C134 HydrophobicContact CE2-CB 4.14Å; F130-C134 HydrophobicContact CZ-CB 3.84Å; F130-C134 WeakPolarHBondContact O-CA 3.23Å; F130-C134 WeakPolarHBondContact O-CB 3.46Å; F130-C134 PolarHBondContact O-N 3.26Å; F130-L137 HydrophobicContact CE1-CB 4.03Å; F130-L137 HydrophobicContact CZ-CB 4.16Å; F130-L137 HydrophobicContact CZ-CD1 4.05Å
131Q93.4Very high89.6Confident71 Ų7152.6 Ų52.633%0.33229%0.289SS..Hα-helixtrans-62.3-39.5175.7-174.5-179.432.500111.7F127 R129 P135F127-Q131 HydrophobicContact CD1-CB 4.36Å; F127-Q131 HydrophobicContact CE1-CB 3.98Å; F127-Q131 HydrophobicContact CE1-CG 4.21Å; F127-Q131 HydrophobicContact CZ-CB 4.1Å; F127-Q131 HydrophobicContact CZ-CG 4.25Å; F127-Q131 WeakPolarHBondContact O-CB 3.44Å; F127-Q131 PolarHBondContact O-N 2.91Å; R129-Q131 PolarHBondContact O-N 3.35Å; Q131-P135 WeakPolarHBondContact O-CA 3.5Å; Q131-P135 WeakPolarHBondContact O-CB 3.41Å; Q131-P135 WeakPolarHBondContact O-CD 3.11Å
132A89.4Confident87.8Confident83 Ų8358 Ų5869%0.68632%0.32SS*.Hα-helixtrans-67.9-40.7176.700000112.5S128 R129 F130S128-A132 PolarHBondContact O-N 2.99Å; R129-A132 PolarHBondContact O-N 3.37Å; F130-A132 VanDerWaalsContact C-N 3.32Å; F130-A132 PolarHBondContact O-N 3.28Å
133E92.1Very high85.7Confident88 Ų8861.1 Ų61.141%0.41135%0.345SS..Hα-helixtrans-82.2-31-178-67.9-176.6-152.800113.2C8 R129 F130C8-E133 HydrophobicContact CB-CB 4.44Å; C8-E133 VanDerWaalsContact CB-OE2 3.26Å; C8-E133 WeakPolarHBondContact CB-OE2 3.42Å; R129-E133 WeakPolarHBondContact CG-OE1 3.27Å; R129-E133 IonicContact CZ-OE1 3.15Å; R129-E133 IonicContact NE-OE1 3.41Å; R129-E133 PolarHBondContact NE-OE1 3.38Å; R129-E133 IonicContact NH2-OE1 2.76Å; R129-E133 PolarHBondContact NH2-OE1 2.89Å; R129-E133 WeakPolarHBondContact O-CG 3.35Å; R129-E133 PolarHBondContact O-N 2.96Å; F130-E133 PolarHBondContact O-N 2.89Å
134C90.5Very high83.2Confident3 Ų364.9 Ų64.92%0.0238%0.383CS..  trans-13855-170.8-62.80000113F130 H136 L137F130-C134 HydrophobicContact CD1-CB 4.32Å; F130-C134 HydrophobicContact CE1-CB 3.93Å; F130-C134 HydrophobicContact CE2-CB 4.14Å; F130-C134 HydrophobicContact CZ-CB 3.84Å; F130-C134 WeakPolarHBondContact O-CA 3.23Å; F130-C134 WeakPolarHBondContact O-CB 3.46Å; F130-C134 PolarHBondContact O-N 3.26Å; C134-H136 PolarHBondContact O-N 2.85Å; C134-H136 VanDerWaalsContact O-N 3.15Å; C134-L137 HydrophobicContact CB-CD1 4.28Å; C134-L137 PolarHBondContact O-N 2.86Å
135P90.7Very high80.7Confident81 Ų8173.2 Ų73.253%0.52641%0.411SS..G310 helixtrans-61.4-30.4-173.923.7-34000113.7Q131 L137 C138Q131-P135 WeakPolarHBondContact O-CA 3.5Å; Q131-P135 WeakPolarHBondContact O-CB 3.41Å; Q131-P135 WeakPolarHBondContact O-CD 3.11Å; P135-L137 PolarHBondContact O-N 2.66Å; P135-C138 PolarHBondContact O-N 3.29Å; P135-C138 VanDerWaalsContact O-N 3.12Å
136H90.4Very high78.3Confident124 Ų12476.3 Ų76.357%0.57444%0.435SS*.G310 helixtrans-68.5-14.9178.962.2-78.7000114.3C134C134-H136 PolarHBondContact O-N 2.85Å; C134-H136 VanDerWaalsContact O-N 3.15Å
137L89.9Confident75.6Confident43 Ų4380.2 Ų80.223%0.22547%0.474CS..G310 helixtrans-97.12174.9-63.2179.1000112.3R12 L15 G39 F130 C134 P135R12-L137 HydrophobicContact CB-CD1 4.31Å; R12-L137 HydrophobicContact CG-CD1 3.98Å; L15-L137 HydrophobicContact CB-CD1 4.45Å; L15-L137 HydrophobicContact CD1-CD1 4.27Å; G39-L137 PolarHBondContact N-O 2.81Å; F130-L137 HydrophobicContact CE1-CB 4.03Å; F130-L137 HydrophobicContact CZ-CB 4.16Å; F130-L137 HydrophobicContact CZ-CD1 4.05Å; C134-L137 HydrophobicContact CB-CD1 4.28Å; C134-L137 PolarHBondContact O-N 2.86Å; P135-L137 PolarHBondContact O-N 2.66Å
138C91.2Very high72.6Confident17 Ų1786 Ų8612%0.11552%0.515CS..EExtended strand (participates in β ladder)trans-100.8138.5175.9-620000110.6R37 F127 P135R37-C138 CarbonylContact O-C 3.4Å; R37-C138 WeakPolarHBondContact O-CA 3.26Å; R37-C138 WeakPolarHBondContact O-CB 3.49Å; F127-C138 HydrophobicContact CZ-CB 4.46Å; P135-C138 PolarHBondContact O-N 3.29Å; P135-C138 VanDerWaalsContact O-N 3.12Å
139E88.8Confident70.4Confident84 Ų8489.2 Ų89.239%0.39354%0.538SS..EExtended strand (participates in β ladder)trans-89.8131.3169.4-67.7169.8-162.600108.7A36 R37 G39 G40A36-E139 CarbonylContact C-O 3.51Å; A36-E139 VanDerWaalsContact CA-O 3.22Å; A36-E139 WeakPolarHBondContact CA-O 3.31Å; R37-E139 HydrophobicContact CG-CB 4.11Å; R37-E139 IonicContact CZ-OE2 3.86Å; R37-E139 VanDerWaalsContact CZ-OE2 3.29Å; R37-E139 PolarHBondContact N-O 2.87Å; R37-E139 IonicContact NE-OE2 2.97Å; R37-E139 PolarHBondContact NE-OE2 2.72Å; R37-E139 IonicContact NH2-OE2 3.84Å; R37-E139 PolarHBondContact NH2-OE2 2.96Å; R37-E139 PolarHBondContact O-N 2.86Å; G39-E139 VanDerWaalsContact CA-OE1 3.3Å; G39-E139 WeakPolarHBondContact CA-OE1 3.37Å; G40-E139 PolarHBondContact N-OE1 2.84Å
140T86Confident67.7Low56 Ų5691.5 Ų91.534%0.34456%0.556SS.*EExtended strand (participates in β ladder)trans-124.7146.8175.460.30000110.1A36 L142 S143A36-T140 HydrophobicContact CB-CG2 3.89Å; T140-L142 PolarHBondContact O-N 3.33Å; T140-S143 PolarHBondContact O-N 3.1Å; T140-S143 PolarHBondContact OG1-OG 2.97Å
141S64.7Low64.7Low93 Ų9395.1 Ų95.165%0.6559%0.586SS**THydrogen-bonded Turntrans-59.6-16.8-175.955.70000114.9S35S35-S141 PolarHBondContact O-N 2.8Å
142L55.9Low61.8Low160 Ų16098 Ų9884%0.83861%0.612SS**THydrogen-bonded Turntrans-87.4-6.9-178.2-67.7167.2000114.6T140 G144T140-L142 PolarHBondContact O-N 3.33Å; L142-G144 VanDerWaalsContact C-N 3.32Å; L142-G144 PolarHBondContact O-N 3.25Å
143S47.4Very low59.4Low87 Ų87100.2 Ų100.261%0.60862%0.616SS**  trans-85.97.9-172-60.60000115.2T140 R145T140-S143 PolarHBondContact O-N 3.1Å; T140-S143 PolarHBondContact OG1-OG 2.97Å; S143-R145 PolarHBondContact O-N 3.49Å
144G41.5Very low56.8Low78 Ų78101.4 Ų101.480%0.80463%0.631SS**THydrogen-bonded Turntrans-82.610-176.400000117.1L142L142-G144 VanDerWaalsContact C-N 3.32Å; L142-G144 PolarHBondContact O-N 3.25Å
145R37.6Very low54.1Low254 Ų254106 Ų10696%0.95866%0.663SS**THydrogen-bonded Turntrans-12610.4-175.6-87-172.4170.3-175.3-2117S143S143-R145 PolarHBondContact O-N 3.49Å
146A33.7Very low51.6Low93 Ų93106.1 Ų106.177%0.76966%0.664SS**SBendtrans-126.3124171.400000110.7
147G34.7Very low49.3Very low81 Ų81105.5 Ų105.584%0.83567%0.669SS**  trans-70.4152.6-160.200000116.8
148S31.9Very low47.2Very low123 Ų123107.5 Ų107.586%0.8668%0.684SS**  -167.3140.512550.90000109M150S148-M150 PolarHBondContact O-N 2.95Å
149S43.4Very low45.1Very low119 Ų119107.1 Ų107.183%0.83268%0.682SS**  trans-52.6114.2-179.3162.40000113.2
150M33.7Very low43.3Very low183 Ų183105.7 Ų105.790%0.90168%0.678SS**  trans-159.2154141.7-83.6-142.7104.500109.4S148S148-M150 PolarHBondContact O-N 2.95Å
151A32.6Very low41.1Very low76 Ų76105.9 Ų105.963%0.62869%0.691SS**  trans-37.1150.6-170.900000116.8V153A151-V153 PolarHBondContact O-N 3.43Å
152P31.7Very low40.1Very low133 Ų133105.9 Ų105.986%0.86468%0.684SS**  trans-60.3115179.125.3-32.6000110.3
153V39.3Very low39.1Very low129 Ų129102.4 Ų102.478%0.78269%0.686SS**PPolyproline II helixtrans-73.9134.3173.7-175.80000108.1A151A151-V153 PolarHBondContact O-N 3.43Å
154P36.3Very low38.5Very low113 Ų113102.2 Ų102.273%0.73469%0.685SS**PPolyproline II helixtrans-61.6141.1-178.123.8-32.8000111.5
155S34Very low38Very low99 Ų99103.4 Ų103.469%0.69267%0.672SS**PPolyproline II helixtrans-51.4137.3172.353.20000111.1V157S155-V157 PolarHBondContact O-N 3.37Å
156P39.8Very low37.6Very low84 Ų8496.8 Ų96.855%0.54566%0.664SS.*PPolyproline II helixtrans-64.4119.5-172.924.4-32.1000111.3P158P156-P158 WeakPolarHBondContact O-CD 3.41Å
157V41.5Very low37.5Very low111 Ų11199.7 Ų99.767%0.67367%0.666SS**PPolyproline II helixtrans-78.9118.2173.7-172.40000107.6S155 V159S155-V157 PolarHBondContact O-N 3.37Å; V157-V159 PolarHBondContact O-N 2.8Å
158P45.8Very low37.2Very low84 Ų8499.3 Ų99.355%0.54566%0.662SS.*PPolyproline II helixtrans-62135.9171.925.2-31000108.4P156 V160P156-P158 WeakPolarHBondContact O-CD 3.41Å; P158-V160 VanDerWaalsContact C-N 3.3Å; P158-V160 PolarHBondContact O-N 3.21Å
159V47Very low37.3Very low10 Ų1098 Ų986%0.06165%0.653CS.*SBendtrans-77.389.7178.7-165.70000109.4L42 L64 L65 P66 V157L42-V159 HydrophobicContact CB-CG2 3.67Å; L42-V159 HydrophobicContact CD1-CG2 3.93Å; L42-V159 HydrophobicContact CD2-CG2 4.32Å; L42-V159 HydrophobicContact CG-CG2 4.2Å; L64-V159 WeakPolarHBondContact O-CG1 3.31Å; L65-V159 VanDerWaalsContact C-CG1 3.41Å; P66-V159 HydrophobicContact CB-CG1 4.44Å; P66-V159 HydrophobicContact CG-CB 4.46Å; P66-V159 HydrophobicContact CG-CG1 3.89Å; P66-V159 HydrophobicContact CG-CG2 3.73Å; P66-V159 VanDerWaalsContact N-CG1 3.25Å; V157-V159 PolarHBondContact O-N 2.8Å
160V50.1Low36.6Very low53 Ų53100.1 Ų100.132%0.32166%0.655SS.*  trans-142.4117.3157.4-1580000106.4P158 L162P158-V160 VanDerWaalsContact C-N 3.3Å; P158-V160 PolarHBondContact O-N 3.21Å; V160-L162 HydrophobicContact CG1-CB 3.71Å; V160-L162 HydrophobicContact CG1-CD1 4.15Å; V160-L162 HydrophobicContact CG1-CG 4.15Å; V160-L162 PolarHBondContact O-N 3.21Å
161G40.9Very low36.3Very low60 Ų6097.7 Ų97.762%0.61965%0.654SS**SBendtrans-6638.8163.400000112.8
162L42.5Very low36.4Very low94 Ų9499.8 Ų99.849%0.49266%0.664SS.*  trans-144.377.8174.4-64.2169.2000106.1V160 S164V160-L162 HydrophobicContact CG1-CB 3.71Å; V160-L162 HydrophobicContact CG1-CD1 4.15Å; V160-L162 HydrophobicContact CG1-CG 4.15Å; V160-L162 PolarHBondContact O-N 3.21Å; L162-S164 PolarHBondContact O-N 3.35Å
163G35.5Very low36.4Very low86 Ų86101.3 Ų101.389%0.88767%0.665SS**THydrogen-bonded Turntrans-6845.7-174.400000116
164S35.7Very low36.2Very low84 Ų84100 Ų10059%0.58767%0.668SS**THydrogen-bonded Turntrans-152.314.3179.2180000115.9L162L162-S164 PolarHBondContact O-N 3.35Å
165L30.6Very low36.3Very low102 Ų102103.6 Ų103.653%0.53468%0.675SS.*  trans-116.785.7174.4-65.9176.7000111.2
166C29.2Very low36.3Very low116 Ų116105 Ų10578%0.78468%0.684SS**  trans-93.8101.2161.5-64.60000108.1G168C166-G168 PolarHBondContact O-N 3.46Å
167L31.7Very low36.1Very low154 Ų154110 Ų11081%0.80670%0.7SS**  trans-81.294.3156.8-77.2165.7000106.4S169L167-S169 PolarHBondContact O-N 2.96Å
168G29.2Very low35.7Very low73 Ų73108.5 Ų108.575%0.75370%0.7SS**  trans-80.7105.3164.300000107.9C166C166-G168 PolarHBondContact O-N 3.46Å
169S32.7Very low35Very low96 Ų96112.3 Ų112.367%0.67172%0.716SS**  trans-87.7120154.8175.20000105.4L167L167-S169 PolarHBondContact O-N 2.96Å
170D28.7Very low34.7Very low162 Ų162122.6 Ų122.687%0.86675%0.754SS**  trans-159.3113.1154.3-84.1-34.3000108.6
171C28.4Very low33.7Very low132 Ų132127.2 Ų127.289%0.89278%0.777SS**  trans-120.5116.8160.5-68.30000106.6
172S33.5Very low33.4Very low120 Ų120129 Ų12984%0.83978%0.779SS**  trans-166.8130.2139.156.80000110.3
173D33Very low33Very low165 Ų165133.5 Ų133.588%0.88280%0.8SS**  trans-61.3147.3174.9-57.5-60.6000113.5
174A34.7Very low32.8Very low101 Ų101135.1 Ų135.184%0.83580%0.798SS**  trans-163.9114.814200000109.4
175E37.8Very low32.7Very low189 Ų189137.1 Ų137.188%0.88381%0.811SS**  trans-64139.8169.5-56.8-122.1116.300110.9
176S34.6Very low32.6Very low128 Ų128136.1 Ų136.190%0.89582%0.824SS**  trans-174.8130.8136.1-77.90000111
177E34.2Very low33.1Very low189 Ų189138.2 Ų138.288%0.88383%0.827SS**  trans-75.7166.7-176.4-76.6-80.6132.700115.3
178A34.3Very low33.1Very low81 Ų81137.8 Ų137.867%0.66983%0.826SS**  trans68.9115.1152.700000120.2
179D30.4Very low33.5Very low163 Ų163139.6 Ų139.687%0.87283%0.827SS**  -172.3152.390-106.7-30.1000113.5
180R41Very low33.6Very low227 Ų227144 Ų14486%0.85784%0.837SS**  trans-87.1144.5-179.4-63171.6171.6164.9-1.8110.2
181D29.8Very low34Very low150 Ų150140 Ų14080%0.80283%0.834SS**  -178.3129.9120.8-103.9-39.1000116.1
182S33.5Very low34.2Very low97 Ų97138.3 Ų138.368%0.67883%0.829SS**  trans46.9114.7131.8-59.80000124.4
183M34.2Very low34.3Very low189 Ų189139.3 Ų139.393%0.93183%0.83SS**  44.4124.1128.3-55.6-63.1-178.800121.8
184S31.9Very low34.7Very low120 Ų120136.2 Ų136.284%0.83982%0.82SS**  -172.6133.9127.1-175.80000112.4
185C32.5Very low34.8Very low126 Ų126136.8 Ų136.885%0.85181%0.814SS**  trans-78.1163167.644.60000112.5
186G29.7Very low34.8Very low80 Ų80133.8 Ų133.883%0.82581%0.812SS**  trans159.1122.9167.100000113.7
187L39.8Very low35.1Very low160 Ų160134 Ų13484%0.83881%0.807SS**  trans-84.8155.4-172.5-63.7155000112.6
188D30.8Very low35.3Very low145 Ų145128.4 Ų128.478%0.77580%0.8SS**  161.9127.9115.9-79.5-25.5000113.5
189S38.6Very low35.6Very low111 Ų111132.1 Ų132.178%0.77681%0.808SS**  trans44.4135.9135.8-63.90000120.7
190E35Very low36.2Very low190 Ų190136 Ų13689%0.88881%0.81SS**  cis-165.1159.515-87.7-125.610200107.9
191G35.4Very low36.8Very low78 Ų78127.7 Ų127.780%0.80479%0.79SS**  trans106.957.6147.800000119.1
192A34Very low38.6Very low96 Ų96124.8 Ų124.879%0.79378%0.782SS**  trans-160.1112.2143.100000109.5P194A192-P194 WeakPolarHBondContact O-CD 3.44Å
193T35.1Very low41Very low140 Ų140124.7 Ų124.786%0.85977%0.769SS**PPolyproline II helixtrans-55.5120.8173.9-35.20000109.3
194P41.1Very low43.8Very low101 Ų101115.9 Ų115.966%0.65673%0.726SS**PPolyproline II helixtrans-69.6145.9173.327.9-30.7000109.1A192A192-P194 WeakPolarHBondContact O-CD 3.44Å
195P37.3Very low46.9Very low112 Ų112110.8 Ų110.873%0.72769%0.69SS**PPolyproline II helixtrans-61.1155.4171.728.3-32.7000109.6V197P195-V197 PolarHBondContact O-N 3.17Å
196P37.8Very low50Low127 Ų127109 Ų10983%0.82567%0.669SS**PPolyproline II helixtrans-58.7136.9-168.224.4-33000111.3G198P196-G198 VanDerWaalsContact C-N 3.27Å; P196-G198 PolarHBondContact O-N 3.44Å
197V41.7Very low53.2Low133 Ų133105.2 Ų105.281%0.80663%0.63SS**  trans-62.984.6176.5-177.30000109.3P195 L199P195-V197 PolarHBondContact O-N 3.17Å; V197-L199 PolarHBondContact O-N 3.29Å
198G37.8Very low55.9Low70 Ų7099.4 Ų99.472%0.72260%0.599SS**  trans-78.4100.7158.900000107.4P196 R200P196-G198 VanDerWaalsContact C-N 3.27Å; P196-G198 PolarHBondContact O-N 3.44Å; G198-R200 PolarHBondContact O-N 3.15Å
199L40.7Very low59.1Low160 Ų16097.4 Ų97.484%0.83859%0.594SS**  trans3.6104.3179.3-81.280.6000114.1V197 A201V197-L199 PolarHBondContact O-N 3.29Å; L199-A201 VanDerWaalsContact C-N 3.32Å; L199-A201 PolarHBondContact O-N 2.9Å
200R42.3Very low61.9Low243 Ų24394.1 Ų94.192%0.91757%0.568SS**  trans-54.2107.4156-81.8-173.3166.7-171.6-2.6106G198 S202G198-R200 PolarHBondContact O-N 3.15Å; R200-S202 PolarHBondContact O-N 3.36Å
201A54.2Low65Low53 Ų5385 Ų8544%0.43853%0.526SS..PPolyproline II helixtrans-54.8117.3173.400000106.7L199 F203L199-A201 VanDerWaalsContact C-N 3.32Å; L199-A201 PolarHBondContact O-N 2.9Å; A201-F203 WeakPolarHBondContact O-CD2 3.34Å; A201-F203 PolarHBondContact O-N 3.17Å; A201-F203 VanDerWaalsContact O-N 3.16Å
202S68.1Low68Low90 Ų9082.1 Ų82.163%0.62949%0.49SS*.PPolyproline II helixtrans-57.4120.7172.2-179.90000107R200 P204R200-S202 PolarHBondContact O-N 3.36Å; S202-P204 CarbonylContact O-C 3.52Å; S202-P204 VanDerWaalsContact O-O 3.1Å
203F83.1Confident71Confident95 Ų9577.5 Ų77.542%0.41745%0.452SS..SBendtrans-89.9144.7168.4-70.6-77000108.8A201 V205 D218A201-F203 WeakPolarHBondContact O-CD2 3.34Å; A201-F203 PolarHBondContact O-N 3.17Å; A201-F203 VanDerWaalsContact O-N 3.16Å; F203-V205 HydrophobicContact CD1-CG2 3.63Å; F203-V205 HydrophobicContact CE1-CG2 3.5Å; F203-V205 VanDerWaalsContact CE1-CG2 3.5Å; F203-V205 HydrophobicContact CZ-CG2 4.47Å; F203-D218 VanDerWaalsContact CB-OD1 3.31Å; F203-D218 WeakPolarHBondContact CB-OD1 3.49Å
204P93.4Very high74Confident4 Ų470.9 Ų70.93%0.02641%0.412CS..SBendcis-69.7154.2-3.830.6-35.8000113.2S202 D218 L228 I230 L287S202-P204 CarbonylContact O-C 3.52Å; S202-P204 VanDerWaalsContact O-O 3.1Å; P204-D218 HydrophobicContact CB-CB 4.06Å; P204-D218 HydrophobicContact CG-CB 4.4Å; P204-L228 HydrophobicContact CG-CD1 3.59Å; P204-I230 HydrophobicContact CG-CD1 4.23Å; P204-L287 HydrophobicContact CB-CD1 3.66Å; P204-L287 HydrophobicContact CG-CD1 4.11Å
205V95.8Very high76.6Confident12 Ų1267 Ų677%0.07339%0.387CS..EExtended strand (participates in β ladder)trans-83.5126.5-175.1178.70000110.4F203 I207 Y212 L213 K323 K324F203-V205 HydrophobicContact CD1-CG2 3.63Å; F203-V205 HydrophobicContact CE1-CG2 3.5Å; F203-V205 VanDerWaalsContact CE1-CG2 3.5Å; F203-V205 HydrophobicContact CZ-CG2 4.47Å; V205-I207 HydrophobicContact CG1-CD1 4.03Å; V205-I207 PolarHBondContact O-N 3.47Å; V205-Y212 CarbonylContact O-C 3.6Å; V205-Y212 WeakPolarHBondContact O-CA 3.47Å; V205-L213 PolarHBondContact N-O 2.77Å; V205-L213 PolarHBondContact O-N 3.5Å; V205-K323 HydrophobicContact CG1-CB 3.91Å; V205-K324 HydrophobicContact CG1-CB 4.47Å; V205-K324 HydrophobicContact CG2-CB 4.41Å; V205-K324 HydrophobicContact CG2-CD 4.31Å
206Q97.7Very high79.4Confident89 Ų8962.5 Ų62.542%0.41636%0.36SS..EExtended strand (participates in β ladder)trans-76.7111.6175.7-170.2179.232.600111.9L208 Y212 K323Q206-L208 WeakPolarHBondContact CG-O 3.37Å; Q206-Y212 HydrophobicContact CB-CD1 3.77Å; Q206-Y212 HydrophobicContact CB-CE1 3.62Å; Q206-Y212 HydrophobicContact CG-CD1 4.1Å; Q206-Y212 HydrophobicContact CG-CE1 3.7Å; Q206-K323 VanDerWaalsContact O-CD 3.31Å; Q206-K323 WeakPolarHBondContact O-CD 3.41Å; Q206-K323 PolarHBondContact O-NZ 2.99Å
207I97.8Very high82.1Confident0 Ų066.8 Ų66.80%036%0.359CS..EExtended strand (participates in β ladder)trans-86.6-46-179.2-57.7-57.1000111.4V205 L211 L213 T301 L305 L319 V320 K323V205-I207 HydrophobicContact CG1-CD1 4.03Å; V205-I207 PolarHBondContact O-N 3.47Å; I207-L211 HydrophobicContact CB-CG 4.43Å; I207-L211 PolarHBondContact N-O 2.91Å; I207-L213 HydrophobicContact CD1-CB 4.15Å; I207-L213 HydrophobicContact CD1-CD2 4.22Å; I207-L213 HydrophobicContact CG1-CB 3.69Å; I207-L213 HydrophobicContact CG1-CD2 4.43Å; I207-T301 HydrophobicContact CB-CG2 4.36Å; I207-T301 HydrophobicContact CG1-CG2 4.13Å; I207-T301 HydrophobicContact CG2-CG2 3.97Å; I207-L305 HydrophobicContact CG2-CD1 4Å; I207-L305 HydrophobicContact CG2-CD2 4.35Å; I207-L319 HydrophobicContact CG2-CD2 3.85Å; I207-V320 HydrophobicContact CD1-CG1 4.01Å; I207-V320 HydrophobicContact CG2-CG2 4.17Å; I207-K323 HydrophobicContact CD1-CB 4.14Å; I207-K323 HydrophobicContact CD1-CD 4.26Å; I207-K323 WeakPolarHBondContact O-CE 3.4Å; I207-K323 PolarHBondContact O-NZ 2.89Å
208L96.9Very high84.6Confident39 Ų3961.4 Ų61.420%0.20433%0.326CS..EExtended strand (participates in β ladder)trans-130.5167.7168.6-62.1177.4000108.7Q206 N210 L211 Y304 L305 L309Q206-L208 WeakPolarHBondContact CG-O 3.37Å; L208-N210 PolarHBondContact O-N 3.15Å; L208-L211 HydrophobicContact CB-CB 4.03Å; L208-L211 HydrophobicContact CB-CD2 4.44Å; L208-L211 HydrophobicContact CD1-CD2 4.15Å; L208-L211 HydrophobicContact CG-CD2 4.33Å; L208-L211 PolarHBondContact N-O 3Å; L208-L211 PolarHBondContact O-N 3.02Å; L208-Y304 HydrophobicContact CD1-CE1 4.24Å; L208-L305 HydrophobicContact CD1-CD2 3.57Å; L208-L305 HydrophobicContact CD2-CD2 4.2Å; L208-L305 HydrophobicContact CG-CD2 3.88Å; L208-L309 HydrophobicContact CD1-CD1 4.07Å; L208-L309 HydrophobicContact CD2-CD1 4.16Å
209P97.3Very high87.4Confident102 Ų10258.2 Ų58.266%0.66229%0.292SS*.THydrogen-bonded Turntrans-45.8127.4166.1-28.437.2000110.3L211P209-L211 PolarHBondContact O-N 3.38Å
210N97.9Very high90Very high42 Ų4252.5 Ų52.523%0.22527%0.269CS..THydrogen-bonded Turntrans60.8-1.4-176.7-59.6-22.5000118.1L208 Y212 L280 N283 G285 V286L208-N210 PolarHBondContact O-N 3.15Å; N210-Y212 WeakPolarHBondContact O-CD2 3.47Å; N210-L280 HydrophobicContact CB-CD2 3.56Å; N210-N283 PolarHBondContact ND2-OD1 2.84Å; N210-G285 CarbonylContact O-C 3.56Å; N210-G285 WeakPolarHBondContact O-CA 3.34Å; N210-V286 PolarHBondContact O-N 2.99Å
211L98.7Very high92.6Very high0 Ų044.4 Ų44.40%024%0.243CC..EExtended strand (participates in β ladder)trans-104.4116.3173.417558.9000111.2I207 L208 P209 I276 V286 V288 Y304I207-L211 HydrophobicContact CB-CG 4.43Å; I207-L211 PolarHBondContact N-O 2.91Å; L208-L211 HydrophobicContact CB-CB 4.03Å; L208-L211 HydrophobicContact CB-CD2 4.44Å; L208-L211 HydrophobicContact CD1-CD2 4.15Å; L208-L211 HydrophobicContact CG-CD2 4.33Å; L208-L211 PolarHBondContact N-O 3Å; L208-L211 PolarHBondContact O-N 3.02Å; P209-L211 PolarHBondContact O-N 3.38Å; L211-I276 HydrophobicContact CD1-CG2 3.96Å; L211-V286 HydrophobicContact CB-CG1 4.44Å; L211-V286 HydrophobicContact CD1-CG1 3.78Å; L211-V288 HydrophobicContact CD1-CG2 3.94Å; L211-Y304 HydrophobicContact CD2-CD1 3.74Å; L211-Y304 HydrophobicContact CD2-CE1 3.94Å
212Y98.8Very high94.5Very high16 Ų1645.9 Ų45.96%0.06324%0.243CC..EExtended strand (participates in β ladder)trans-117.1140.9-176.8-58-89.8000111.9V205 Q206 N210 L228 I230 V286 L287 V288V205-Y212 CarbonylContact O-C 3.6Å; V205-Y212 WeakPolarHBondContact O-CA 3.47Å; Q206-Y212 HydrophobicContact CB-CD1 3.77Å; Q206-Y212 HydrophobicContact CB-CE1 3.62Å; Q206-Y212 HydrophobicContact CG-CD1 4.1Å; Q206-Y212 HydrophobicContact CG-CE1 3.7Å; N210-Y212 WeakPolarHBondContact O-CD2 3.47Å; Y212-L228 HydrophobicContact CD1-CD1 4.09Å; Y212-L228 HydrophobicContact CE1-CB 4.3Å; Y212-L228 HydrophobicContact CE1-CD1 4Å; Y212-L228 HydrophobicContact CE1-CD2 3.88Å; Y212-L228 HydrophobicContact CE1-CG 4.29Å; Y212-L228 HydrophobicContact CE2-CB 4.28Å; Y212-L228 PolarHBondContact OH-O 2.76Å; Y212-I230 HydrophobicContact CD2-CD1 3.78Å; Y212-I230 HydrophobicContact CD2-CG1 3.72Å; Y212-I230 HydrophobicContact CE2-CD1 4.27Å; Y212-I230 HydrophobicContact CE2-CG1 3.95Å; Y212-I230 HydrophobicContact CG-CD1 4.01Å; Y212-I230 HydrophobicContact CG-CG1 4.46Å; Y212-V286 PolarHBondContact N-O 3.02Å; Y212-L287 WeakPolarHBondContact O-CA 3.2Å; Y212-V288 PolarHBondContact O-N 2.89Å
213L98.6Very high95.8Very high0 Ų049.1 Ų49.10%025%0.249CC..EExtended strand (participates in β ladder)trans-114126.7176.4171.765.2000109.8V205 I207 S297 V298 V320 K324 I327V205-L213 PolarHBondContact N-O 2.77Å; V205-L213 PolarHBondContact O-N 3.5Å; I207-L213 HydrophobicContact CD1-CB 4.15Å; I207-L213 HydrophobicContact CD1-CD2 4.22Å; I207-L213 HydrophobicContact CG1-CB 3.69Å; I207-L213 HydrophobicContact CG1-CD2 4.43Å; L213-S297 WeakPolarHBondContact CD1-OG 2.8Å; L213-V298 HydrophobicContact CD1-CG2 4.28Å; L213-V298 HydrophobicContact CD2-CG2 3.86Å; L213-V320 HydrophobicContact CD2-CG1 3.74Å; L213-K324 HydrophobicContact CD2-CD 3.87Å; L213-K324 HydrophobicContact CG-CD 4.38Å; L213-I327 HydrophobicContact CD2-CG2 4.46Å
214G96.7Very high96.4Very high1 Ų145.5 Ų45.51%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-149.2-170.8-176.100000115.8D218 V288 H289 G293G214-D218 WeakPolarHBondContact CA-OD2 3.31Å; G214-V288 PolarHBondContact N-O 2.81Å; G214-H289 WeakPolarHBondContact O-CA 3.38Å; G214-H289 WeakPolarHBondContact O-CB 3.43Å; G214-G293 WeakPolarHBondContact O-CA 3.4Å
215S96.5Very high96.5Very high19 Ų1945.3 Ų45.313%0.13323%0.234CC..  trans-113.5176.7-179.269.70000111R217 D218 S219 C290 L291S215-R217 PolarHBondContact O-N 3.19Å; S215-R217 PolarHBondContact OG-N 2.98Å; S215-D218 WeakPolarHBondContact CB-OD2 3.39Å; S215-D218 PolarHBondContact N-OD2 2.64Å; S215-D218 PolarHBondContact O-N 3.33Å; S215-D218 VanDerWaalsContact O-N 3.1Å; S215-D218 PolarHBondContact OG-OD2 2.82Å; S215-S219 PolarHBondContact O-N 2.97Å; S215-C290 CarbonylContact C-O 3.55Å; S215-L291 WeakPolarHBondContact CB-O 3.49Å
216A94.9Very high96.5Very high18 Ų1847.4 Ų47.415%0.14925%0.253CS..Hα-helixtrans-59.6-29.8175.500000113.2S219 A220 L240 C290 L291A216-S219 WeakPolarHBondContact CA-OG 3.39Å; A216-S219 PolarHBondContact O-OG 3.17Å; A216-A220 PolarHBondContact O-N 3.06Å; A216-L240 HydrophobicContact CB-CD1 3.54Å; A216-C290 PolarHBondContact N-O 3.19Å; A216-L291 HydrophobicContact CB-CD1 4.28Å; A216-L291 PolarHBondContact N-O 3.08Å
217R95Very high96.4Very high216 Ų21651.9 Ų51.982%0.81527%0.271SS*.Hα-helixtrans-69.6-38.4177.2-66.4-179.6174.8177.4-2.5111.1S215 A220 N221S215-R217 PolarHBondContact O-N 3.19Å; S215-R217 PolarHBondContact OG-N 2.98Å; R217-A220 PolarHBondContact O-N 2.92Å; R217-N221 PolarHBondContact O-N 3.49Å
218D95.4Very high96.3Very high20 Ų2053.8 Ų53.811%0.10728%0.281CS..Hα-helixtrans-69.4-38.7-179.8-53.6-54.1000110.8F203 P204 G214 S215 A220 N221 L287F203-D218 VanDerWaalsContact CB-OD1 3.31Å; F203-D218 WeakPolarHBondContact CB-OD1 3.49Å; P204-D218 HydrophobicContact CB-CB 4.06Å; P204-D218 HydrophobicContact CG-CB 4.4Å; G214-D218 WeakPolarHBondContact CA-OD2 3.31Å; S215-D218 WeakPolarHBondContact CB-OD2 3.39Å; S215-D218 PolarHBondContact N-OD2 2.64Å; S215-D218 PolarHBondContact O-N 3.33Å; S215-D218 VanDerWaalsContact O-N 3.1Å; S215-D218 PolarHBondContact OG-OD2 2.82Å; D218-A220 PolarHBondContact O-N 2.73Å; D218-N221 PolarHBondContact O-N 3.32Å; D218-L287 HydrophobicContact CB-CD2 4.47Å
219S96.6Very high96.3Very high3 Ų353.7 Ų53.72%0.02129%0.289CS..Hα-helixtrans-68.7-18.2176.361.10000114S215 A216 F244 H289S215-S219 PolarHBondContact O-N 2.97Å; A216-S219 WeakPolarHBondContact CA-OG 3.39Å; A216-S219 PolarHBondContact O-OG 3.17Å; S219-F244 WeakPolarHBondContact O-CE2 3.42Å; S219-H289 WeakPolarHBondContact CB-NE2 3.47Å; S219-H289 PolarHBondContact OG-CE1 3.37Å; S219-H289 VanDerWaalsContact OG-CE1 3.26Å; S219-H289 PolarHBondContact OG-ND1 3.28Å
220A95.4Very high96.4Very high41 Ų4148.9 Ų48.934%0.33926%0.258SS..THydrogen-bonded Turntrans-94.6-3.4177.700000113.2A216 R217 D218 L222 F243 F244A216-A220 PolarHBondContact O-N 3.06Å; R217-A220 PolarHBondContact O-N 2.92Å; D218-A220 PolarHBondContact O-N 2.73Å; A220-L222 PolarHBondContact O-N 2.84Å; A220-F243 HydrophobicContact CB-CD2 3.73Å; A220-F243 HydrophobicContact CB-CE2 3.71Å; A220-F243 HydrophobicContact CB-CG 4.23Å; A220-F243 HydrophobicContact CB-CZ 4.2Å; A220-F244 WeakPolarHBondContact O-CZ 3.34Å
221N95Very high96.4Very high72 Ų7250.5 Ų50.539%0.38526%0.261SS..  trans-97.190.3-176.1-172.8-26.1000111.4R217 D218 E223 S224 L225R217-N221 PolarHBondContact O-N 3.49Å; D218-N221 PolarHBondContact O-N 3.32Å; N221-E223 VanDerWaalsContact C-N 3.29Å; N221-E223 PolarHBondContact O-N 3.17Å; N221-E223 PolarHBondContact OD1-N 3.24Å; N221-S224 PolarHBondContact O-N 3.34Å; N221-S224 PolarHBondContact OD1-N 3.13Å; N221-L225 VanDerWaalsContact O-CG 3.26Å; N221-L225 WeakPolarHBondContact O-CG 3.5Å; N221-L225 PolarHBondContact O-N 3.36Å
222L95.2Very high96.4Very high84 Ų8451 Ų5144%0.4426%0.263SS..Hα-helixtrans-56.9-39.9-177.7-172.262.7000113.3A220 L225 A226 F244 F250A220-L222 PolarHBondContact O-N 2.84Å; L222-L225 PolarHBondContact O-N 3.29Å; L222-A226 WeakPolarHBondContact O-CB 3.49Å; L222-A226 PolarHBondContact O-N 3.27Å; L222-F244 HydrophobicContact CB-CE1 4.01Å; L222-F244 HydrophobicContact CB-CE2 4.25Å; L222-F244 HydrophobicContact CB-CZ 3.68Å; L222-F244 HydrophobicContact CD1-CD1 4.14Å; L222-F244 HydrophobicContact CD1-CD2 4.29Å; L222-F244 HydrophobicContact CD1-CE1 4.13Å; L222-F244 HydrophobicContact CD1-CE2 4.28Å; L222-F244 HydrophobicContact CD1-CG 4.23Å; L222-F244 HydrophobicContact CD1-CZ 4.21Å; L222-F244 HydrophobicContact CD2-CE1 4.4Å; L222-F244 HydrophobicContact CG-CE1 4.41Å; L222-F244 HydrophobicContact CG-CZ 4.45Å; L222-F250 HydrophobicContact CD1-CE2 3.64Å; L222-F250 HydrophobicContact CD1-CZ 3.66Å
223E95Very high96.4Very high158 Ų15850.3 Ų50.374%0.73826%0.26SS*.Hα-helixtrans-64.5-46.9179.9-173.6-173.9171.100111.1N221 L225 A226 K227N221-E223 VanDerWaalsContact C-N 3.29Å; N221-E223 PolarHBondContact O-N 3.17Å; N221-E223 PolarHBondContact OD1-N 3.24Å; E223-L225 VanDerWaalsContact C-N 3.35Å; E223-L225 PolarHBondContact O-N 3.23Å; E223-A226 PolarHBondContact O-N 3.35Å; E223-K227 WeakPolarHBondContact O-CB 3.36Å; E223-K227 PolarHBondContact O-N 3.05Å
224S95Very high96.4Very high19 Ų1950.3 Ų50.313%0.13326%0.26CS..Hα-helixtrans-64-40.6176.7-172.10000111.8N221 K227 L228N221-S224 PolarHBondContact O-N 3.34Å; N221-S224 PolarHBondContact OD1-N 3.13Å; S224-K227 PolarHBondContact O-N 2.79Å; S224-L228 WeakPolarHBondContact O-CB 3.46Å; S224-L228 VanDerWaalsContact O-CG 3.31Å; S224-L228 WeakPolarHBondContact O-CG 3.42Å; S224-L228 PolarHBondContact O-N 3.04Å; S224-L228 VanDerWaalsContact O-N 3.1Å
225L96.5Very high96.5Very high0 Ų050.2 Ų50.20%026%0.26CS..Hα-helixtrans-61.9-44.8176.9-67.9171000111.2N221 L222 E223 G229 I230 I233 F244 F250 L287N221-L225 VanDerWaalsContact O-CG 3.26Å; N221-L225 WeakPolarHBondContact O-CG 3.5Å; N221-L225 PolarHBondContact O-N 3.36Å; L222-L225 PolarHBondContact O-N 3.29Å; E223-L225 VanDerWaalsContact C-N 3.35Å; E223-L225 PolarHBondContact O-N 3.23Å; L225-G229 PolarHBondContact O-N 3.34Å; L225-I230 HydrophobicContact CB-CB 4.42Å; L225-I230 HydrophobicContact CD2-CB 3.94Å; L225-I230 HydrophobicContact CD2-CD1 3.9Å; L225-I230 HydrophobicContact CD2-CG2 3.7Å; L225-I230 PolarHBondContact O-N 3.12Å; L225-I233 HydrophobicContact CD1-CD1 3.87Å; L225-I233 HydrophobicContact CD2-CD1 4.15Å; L225-F244 HydrophobicContact CD1-CD2 3.87Å; L225-F244 HydrophobicContact CD1-CE2 3.7Å; L225-F250 HydrophobicContact CB-CE1 4.05Å; L225-F250 HydrophobicContact CB-CZ 4.19Å; L225-F250 HydrophobicContact CD1-CE1 4.03Å; L225-F250 HydrophobicContact CD1-CZ 4.11Å; L225-L287 HydrophobicContact CD2-CD2 3.81Å
226A95.1Very high96.6Very high57 Ų5749.3 Ų49.347%0.47125%0.253SS..Hα-helixtrans-64.4-46.717700000112L222 E223 L228 G229L222-A226 WeakPolarHBondContact O-CB 3.49Å; L222-A226 PolarHBondContact O-N 3.27Å; E223-A226 PolarHBondContact O-N 3.35Å; A226-L228 VanDerWaalsContact C-N 3.25Å; A226-L228 PolarHBondContact O-N 3.35Å; A226-G229 PolarHBondContact O-N 3.32Å
227K96.2Very high96.6Very high182 Ų18248.6 Ų48.679%0.79125%0.247SC*.Hα-helixtrans-60-34.5179.9-175.9177.2-179.8178.10113.1E223 S224 G229E223-K227 WeakPolarHBondContact O-CB 3.36Å; E223-K227 PolarHBondContact O-N 3.05Å; S224-K227 PolarHBondContact O-N 2.79Å; K227-G229 VanDerWaalsContact C-N 3.34Å
228L96.5Very high96.3Very high41 Ų4140.5 Ų40.522%0.21522%0.223CC..THydrogen-bonded Turntrans-903179.9-64.7175.4000113.4P204 Y212 S224 A226 I230P204-L228 HydrophobicContact CG-CD1 3.59Å; Y212-L228 HydrophobicContact CD1-CD1 4.09Å; Y212-L228 HydrophobicContact CE1-CB 4.3Å; Y212-L228 HydrophobicContact CE1-CD1 4Å; Y212-L228 HydrophobicContact CE1-CD2 3.88Å; Y212-L228 HydrophobicContact CE1-CG 4.29Å; Y212-L228 HydrophobicContact CE2-CB 4.28Å; Y212-L228 PolarHBondContact OH-O 2.76Å; S224-L228 WeakPolarHBondContact O-CB 3.46Å; S224-L228 VanDerWaalsContact O-CG 3.31Å; S224-L228 WeakPolarHBondContact O-CG 3.42Å; S224-L228 PolarHBondContact O-N 3.04Å; S224-L228 VanDerWaalsContact O-N 3.1Å; A226-L228 VanDerWaalsContact C-N 3.25Å; A226-L228 PolarHBondContact O-N 3.35Å; L228-I230 HydrophobicContact CB-CD1 3.71Å; L228-I230 HydrophobicContact CB-CG1 3.89Å; L228-I230 HydrophobicContact CD1-CD1 3.9Å; L228-I230 HydrophobicContact CG-CD1 4.47Å; L228-I230 PolarHBondContact O-N 3.19Å
229G96.9Very high96Very high37 Ų3746.5 Ų46.538%0.38125%0.254SS..THydrogen-bonded Turntrans64.724.1-177.700000113.5L225 A226 K227 R231 G285L225-G229 PolarHBondContact O-N 3.34Å; A226-G229 PolarHBondContact O-N 3.32Å; K227-G229 VanDerWaalsContact C-N 3.34Å; G229-R231 PolarHBondContact O-N 2.99Å; G229-G285 WeakPolarHBondContact O-CA 3.37Å; G229-G285 PolarHBondContact O-N 2.88Å
230I98.1Very high95.6Very high0 Ų048.4 Ų48.40%026%0.264CS..EExtended strand (participates in β ladder)trans-77.2118-176.8-65.6162.8000109.2P204 Y212 L225 L228 Y232 I233 F250 G285 L287P204-I230 HydrophobicContact CG-CD1 4.23Å; Y212-I230 HydrophobicContact CD2-CD1 3.78Å; Y212-I230 HydrophobicContact CD2-CG1 3.72Å; Y212-I230 HydrophobicContact CE2-CD1 4.27Å; Y212-I230 HydrophobicContact CE2-CG1 3.95Å; Y212-I230 HydrophobicContact CG-CD1 4.01Å; Y212-I230 HydrophobicContact CG-CG1 4.46Å; L225-I230 HydrophobicContact CB-CB 4.42Å; L225-I230 HydrophobicContact CD2-CB 3.94Å; L225-I230 HydrophobicContact CD2-CD1 3.9Å; L225-I230 HydrophobicContact CD2-CG2 3.7Å; L225-I230 PolarHBondContact O-N 3.12Å; L228-I230 HydrophobicContact CB-CD1 3.71Å; L228-I230 HydrophobicContact CB-CG1 3.89Å; L228-I230 HydrophobicContact CD1-CD1 3.9Å; L228-I230 HydrophobicContact CG-CD1 4.47Å; L228-I230 PolarHBondContact O-N 3.19Å; I230-Y232 WeakPolarHBondContact CG2-O 3.38Å; I230-I233 HydrophobicContact CG2-CG1 4.09Å; I230-F250 WeakPolarHBondContact O-CE1 3.38Å; I230-G285 CarbonylContact C-O 3.56Å; I230-G285 VanDerWaalsContact CA-O 3.29Å; I230-G285 WeakPolarHBondContact CA-O 3.49Å; I230-L287 HydrophobicContact CD1-CB 4.26Å; I230-L287 HydrophobicContact CG2-CB 3.88Å
231R97.9Very high95.5Very high76 Ų7650 Ų5029%0.28727%0.271SS..EExtended strand (participates in β ladder)trans-117.1-17.5174.4-59.6-65.1811542.5112.6G229 F250 H251 C284 G285G229-R231 PolarHBondContact O-N 2.99Å; R231-F250 CarbonylContact O-C 3.54Å; R231-F250 VanDerWaalsContact O-CA 3.28Å; R231-F250 WeakPolarHBondContact O-CA 3.45Å; R231-H251 PolarHBondContact O-N 3.22Å; R231-C284 HydrophobicContact CB-CB 4.18Å; R231-C284 HydrophobicContact CG-CB 4.43Å; R231-G285 PolarHBondContact N-O 3.44Å
232Y98.7Very high95.5Very high12 Ų1247.4 Ų47.45%0.04726%0.257CS..EExtended strand (participates in β ladder)trans-109.9133.8177.8-75.9-109.4000110.4I230 H251 F275 E278 A279 C284 G285 V286 L287I230-Y232 WeakPolarHBondContact CG2-O 3.38Å; Y232-H251 CarbonylContact C-O 3.59Å; Y232-H251 WeakPolarHBondContact CA-O 3.08Å; Y232-H251 HydrophobicContact CD1-CB 3.64Å; Y232-H251 HydrophobicContact CD2-CB 4.37Å; Y232-H251 HydrophobicContact CE1-CB 3.69Å; Y232-H251 AromaticContact CE1-CG 3.92Å; Y232-H251 HydrophobicContact CE2-CB 4.41Å; Y232-H251 AromaticContact CE2-CD2 3.96Å; Y232-H251 HydrophobicContact CG-CB 3.99Å; Y232-H251 AromaticContact CZ-CD2 3.98Å; Y232-H251 AromaticContact CZ-CG 3.86Å; Y232-F275 HydrophobicContact CD1-CD2 4.26Å; Y232-F275 HydrophobicContact CD1-CE1 4.13Å; Y232-F275 AromaticContact CD1-CE2 3.69Å; Y232-F275 HydrophobicContact CD1-CE2 3.69Å; Y232-F275 AromaticContact CD1-CZ 3.63Å; Y232-F275 HydrophobicContact CD1-CZ 3.63Å; Y232-F275 HydrophobicContact CE1-CE2 4.28Å; Y232-F275 HydrophobicContact CG-CZ 4.31Å; Y232-E278 HydrophobicContact CE1-CB 4.4Å; Y232-E278 HydrophobicContact CE1-CG 4.12Å; Y232-E278 WeakPolarHBondContact CE1-OE1 3.47Å; Y232-E278 PolarHBondContact OH-OE1 2.9Å; Y232-A279 HydrophobicContact CD1-CB 3.72Å; Y232-A279 HydrophobicContact CD2-CB 3.52Å; Y232-A279 HydrophobicContact CE1-CB 4.29Å; Y232-A279 HydrophobicContact CE2-CB 4.12Å; Y232-A279 HydrophobicContact CG-CB 3.31Å; Y232-C284 HydrophobicContact CD2-CB 3.95Å; Y232-C284 HydrophobicContact CE2-CB 4.12Å; Y232-G285 PolarHBondContact N-O 2.88Å; Y232-G285 VanDerWaalsContact N-O 3.11Å; Y232-V286 CarbonylContact O-C 3.36Å; Y232-V286 VanDerWaalsContact O-CA 3.27Å; Y232-V286 WeakPolarHBondContact O-CA 3.38Å; Y232-L287 PolarHBondContact O-N 2.81Å
233I98.8Very high95.4Very high0 Ų048.8 Ų48.80%026%0.26CS..EExtended strand (participates in β ladder)trans-133.8115.7-179-56.2176.7000109.7L225 I230 F250 H251 Y252 K253 L287L225-I233 HydrophobicContact CD1-CD1 3.87Å; L225-I233 HydrophobicContact CD2-CD1 4.15Å; I230-I233 HydrophobicContact CG2-CG1 4.09Å; I233-F250 HydrophobicContact CD1-CD1 3.67Å; I233-F250 HydrophobicContact CD1-CE1 4.08Å; I233-F250 HydrophobicContact CD1-CG 4.26Å; I233-F250 HydrophobicContact CG1-CD1 4.24Å; I233-H251 PolarHBondContact N-O 3.12Å; I233-Y252 HydrophobicContact CB-CD1 3.75Å; I233-Y252 HydrophobicContact CB-CE1 3.6Å; I233-Y252 HydrophobicContact CB-CG 4.48Å; I233-Y252 HydrophobicContact CD1-CE1 3.85Å; I233-Y252 HydrophobicContact CD1-CE2 4.37Å; I233-Y252 WeakPolarHBondContact CD1-OH 3.43Å; I233-Y252 HydrophobicContact CG1-CE1 4.27Å; I233-Y252 HydrophobicContact CG2-CD1 3.96Å; I233-Y252 HydrophobicContact CG2-CE1 3.59Å; I233-Y252 WeakPolarHBondContact O-CA 3.5Å; I233-K253 PolarHBondContact O-N 3.32Å; I233-L287 WeakPolarHBondContact CA-O 3.3Å; I233-L287 HydrophobicContact CG1-CB 4.46Å
234L98.9Very high95.4Very high0 Ų042.6 Ų42.60%023%0.23CC..EExtended strand (participates in β ladder)trans-99.2106.1175.5-177.459.1000109.8V236 K253 I255 A272 F275 I276 L287 V288 H289 V300L234-V236 HydrophobicContact CG-CG2 4.13Å; L234-K253 WeakPolarHBondContact CA-O 3.17Å; L234-K253 HydrophobicContact CD1-CB 3.85Å; L234-K253 HydrophobicContact CD1-CD 4.09Å; L234-K253 HydrophobicContact CD1-CG 3.81Å; L234-I255 HydrophobicContact CD1-CD1 3.88Å; L234-I255 HydrophobicContact CD1-CG1 4.16Å; L234-I255 HydrophobicContact CD2-CD1 4.49Å; L234-A272 HydrophobicContact CD2-CB 3.89Å; L234-F275 HydrophobicContact CB-CD1 3.93Å; L234-F275 HydrophobicContact CB-CE1 3.86Å; L234-F275 HydrophobicContact CD1-CD1 4.26Å; L234-F275 HydrophobicContact CG-CD1 4.47Å; L234-I276 HydrophobicContact CD2-CD1 4.37Å; L234-I276 HydrophobicContact CD2-CG1 4.42Å; L234-L287 PolarHBondContact N-O 3.48Å; L234-V288 HydrophobicContact CB-CG1 4.47Å; L234-V288 HydrophobicContact CB-CG2 4.36Å; L234-V288 HydrophobicContact CD2-CG1 4.09Å; L234-V288 HydrophobicContact CD2-CG2 4.29Å; L234-V288 HydrophobicContact CG-CG1 4.42Å; L234-H289 PolarHBondContact O-CD2 3.07Å; L234-H289 PolarHBondContact O-N 2.87Å; L234-V300 HydrophobicContact CD2-CG1 3.85Å
235N98.7Very high95.2Very high0 Ų046.8 Ų46.80%025%0.248CC..EExtended strand (participates in β ladder)trans-92.9106179.3178.31.1000110.5T237 L240 N242 K253 Q254 I255 H289N235-T237 VanDerWaalsContact C-N 3.32Å; N235-T237 PolarHBondContact O-N 3.41Å; N235-T237 WeakPolarHBondContact OD1-CB 3.45Å; N235-T237 PolarHBondContact OD1-N 3.16Å; N235-T237 PolarHBondContact OD1-OG1 3.03Å; N235-L240 PolarHBondContact ND2-O 2.96Å; N235-N242 WeakPolarHBondContact CB-OD1 3.17Å; N235-N242 PolarHBondContact ND2-OD1 3.45Å; N235-K253 PolarHBondContact N-O 3.1Å; N235-Q254 HydrophobicContact CB-CG 4.31Å; N235-Q254 CarbonylContact O-C 3.53Å; N235-Q254 WeakPolarHBondContact O-CA 3.3Å; N235-I255 PolarHBondContact O-N 3.42Å; N235-H289 WeakPolarHBondContact CA-NE2 3.3Å; N235-H289 WeakPolarHBondContact CB-NE2 3.15Å
236V98.6Very high94.7Very high0 Ų056.6 Ų56.60%029%0.291CS..  trans-95.655.6-179.1-1620000110.4L234 I255 I257 L265 V288 H289 C290 R296 V300L234-V236 HydrophobicContact CG-CG2 4.13Å; V236-I255 CarbonylContact C-O 3.16Å; V236-I255 WeakPolarHBondContact CA-O 3.13Å; V236-I255 HydrophobicContact CG1-CB 4.29Å; V236-I255 HydrophobicContact CG1-CG2 4.27Å; V236-I257 HydrophobicContact CG1-CG2 3.9Å; V236-L265 HydrophobicContact CG1-CD1 4.12Å; V236-V288 HydrophobicContact CG2-CG1 4.21Å; V236-H289 PolarHBondContact N-O 3.38Å; V236-C290 HydrophobicContact CB-CB 4.48Å; V236-R296 HydrophobicContact CB-CB 4.2Å; V236-R296 HydrophobicContact CG1-CB 3.8Å; V236-R296 VanDerWaalsContact O-CD 3.3Å; V236-R296 WeakPolarHBondContact O-CD 3.43Å; V236-R296 PolarHBondContact O-NH1 3.02Å; V236-V300 HydrophobicContact CG1-CG2 4.25Å; V236-V300 HydrophobicContact CG2-CG2 4.1Å
237T94.8Very high94.2Very high2 Ų258.1 Ų58.11%0.01229%0.291CS..  trans-146152.317776.10000112.3N235 L240 Q254 I255 C290N235-T237 VanDerWaalsContact C-N 3.32Å; N235-T237 PolarHBondContact O-N 3.41Å; N235-T237 WeakPolarHBondContact OD1-CB 3.45Å; N235-T237 PolarHBondContact OD1-N 3.16Å; N235-T237 PolarHBondContact OD1-OG1 3.03Å; T237-L240 HydrophobicContact CG2-CD1 3.69Å; T237-L240 HydrophobicContact CG2-CG 4.1Å; T237-L240 WeakPolarHBondContact OG1-CB 3.17Å; T237-L240 WeakPolarHBondContact OG1-CG 3.36Å; T237-L240 PolarHBondContact OG1-N 3.32Å; T237-Q254 PolarHBondContact O-NE2 3.06Å; T237-I255 PolarHBondContact N-O 3.24Å; T237-C290 HydrophobicContact CG2-CB 3.95Å
238P90.1Very high93.6Very high47 Ų4752.6 Ų52.631%0.30529%0.286SS..SBendtrans-81-30.5178.531.9-33.5000112.7P256 I257P238-P256 HydrophobicContact CB-CB 4.19Å; P238-I257 VanDerWaalsContact CD-O 3.3Å; P238-I257 WeakPolarHBondContact CD-O 3.39Å
239N87.1Confident93.3Very high145 Ų14555.4 Ų55.478%0.77530%0.301SS*.SBendtrans-119.8-2.9-162.1-57.5-16.7000114.1
240L90Very high93.2Very high44 Ų4454.3 Ų54.323%0.2329%0.286CS..  trans-89137.8176.8-59.4-179.2000110.9A216 N235 T237 L291A216-L240 HydrophobicContact CB-CD1 3.54Å; N235-L240 PolarHBondContact ND2-O 2.96Å; T237-L240 HydrophobicContact CG2-CD1 3.69Å; T237-L240 HydrophobicContact CG2-CG 4.1Å; T237-L240 WeakPolarHBondContact OG1-CB 3.17Å; T237-L240 WeakPolarHBondContact OG1-CG 3.36Å; T237-L240 PolarHBondContact OG1-N 3.32Å; L240-L291 HydrophobicContact CD1-CB 4.41Å; L240-L291 HydrophobicContact CD1-CD1 4.13Å; L240-L291 HydrophobicContact CD2-CD1 4.24Å
241P91.9Very high93.2Very high74 Ų7459 Ų5948%0.48131%0.307SS..  trans-74.2150.717931.5-35.7000112.2F243P241-F243 HydrophobicContact CG-CD1 4.47Å; P241-F243 HydrophobicContact CG-CD2 4.48Å; P241-F243 HydrophobicContact CG-CE1 4.04Å; P241-F243 HydrophobicContact CG-CE2 4.04Å; P241-F243 HydrophobicContact CG-CZ 3.8Å; P241-F243 PolarHBondContact O-N 3.37Å
242N95.9Very high93.2Very high18 Ų1856.9 Ų56.910%0.09630%0.3CS..  trans-83.490.5165.7-65.7-17.8000109N235 F244 E245 Y252N235-N242 WeakPolarHBondContact CB-OD1 3.17Å; N235-N242 PolarHBondContact ND2-OD1 3.45Å; N242-F244 VanDerWaalsContact C-N 3.26Å; N242-F244 PolarHBondContact O-N 2.95Å; N242-F244 VanDerWaalsContact O-N 3.08Å; N242-E245 HydrophobicContact CB-CB 3.78Å; N242-E245 HydrophobicContact CB-CG 4.38Å; N242-E245 PolarHBondContact ND2-OE1 3.41Å; N242-E245 WeakPolarHBondContact O-CB 3.38Å; N242-E245 PolarHBondContact O-N 3.31Å; N242-Y252 HydrophobicContact CB-CD1 3.49Å; N242-Y252 VanDerWaalsContact CB-CD1 3.49Å; N242-Y252 HydrophobicContact CB-CD2 4.3Å; N242-Y252 HydrophobicContact CB-CE1 3.57Å; N242-Y252 HydrophobicContact CB-CE2 4.36Å; N242-Y252 HydrophobicContact CB-CG 3.85Å
243F92.6Very high93.2Very high112 Ų11258.9 Ų58.949%0.49131%0.308SS..THydrogen-bonded Turntrans-53.9-33.6-167.8-75-81000115.8A220 P241A220-F243 HydrophobicContact CB-CD2 3.73Å; A220-F243 HydrophobicContact CB-CE2 3.71Å; A220-F243 HydrophobicContact CB-CG 4.23Å; A220-F243 HydrophobicContact CB-CZ 4.2Å; P241-F243 HydrophobicContact CG-CD1 4.47Å; P241-F243 HydrophobicContact CG-CD2 4.48Å; P241-F243 HydrophobicContact CG-CE1 4.04Å; P241-F243 HydrophobicContact CG-CE2 4.04Å; P241-F243 HydrophobicContact CG-CZ 3.8Å; P241-F243 PolarHBondContact O-N 3.37Å
244F94.3Very high93.2Very high28 Ų2862.5 Ų62.512%0.12333%0.326CS..THydrogen-bonded Turntrans-114.914-173.3-50.6-63.7000113.5S219 A220 L222 L225 N242 K246 N247 F250 Y252S219-F244 WeakPolarHBondContact O-CE2 3.42Å; A220-F244 WeakPolarHBondContact O-CZ 3.34Å; L222-F244 HydrophobicContact CB-CE1 4.01Å; L222-F244 HydrophobicContact CB-CE2 4.25Å; L222-F244 HydrophobicContact CB-CZ 3.68Å; L222-F244 HydrophobicContact CD1-CD1 4.14Å; L222-F244 HydrophobicContact CD1-CD2 4.29Å; L222-F244 HydrophobicContact CD1-CE1 4.13Å; L222-F244 HydrophobicContact CD1-CE2 4.28Å; L222-F244 HydrophobicContact CD1-CG 4.23Å; L222-F244 HydrophobicContact CD1-CZ 4.21Å; L222-F244 HydrophobicContact CD2-CE1 4.4Å; L222-F244 HydrophobicContact CG-CE1 4.41Å; L222-F244 HydrophobicContact CG-CZ 4.45Å; L225-F244 HydrophobicContact CD1-CD2 3.87Å; L225-F244 HydrophobicContact CD1-CE2 3.7Å; N242-F244 VanDerWaalsContact C-N 3.26Å; N242-F244 PolarHBondContact O-N 2.95Å; N242-F244 VanDerWaalsContact O-N 3.08Å; F244-K246 PolarHBondContact O-N 3.16Å; F244-N247 WeakPolarHBondContact O-CB 2.83Å; F244-N247 PolarHBondContact O-N 2.88Å; F244-N247 VanDerWaalsContact O-N 3.08Å; F244-F250 HydrophobicContact CB-CD2 3.47Å; F244-F250 VanDerWaalsContact CB-CD2 3.47Å; F244-F250 HydrophobicContact CB-CE2 3.69Å; F244-F250 HydrophobicContact CB-CG 4.34Å; F244-F250 HydrophobicContact CD2-CE2 4.22Å; F244-F250 HydrophobicContact CG-CD2 4.29Å; F244-F250 HydrophobicContact CG-CE2 4.05Å; F244-Y252 HydrophobicContact CB-CE2 4.26Å; F244-Y252 PolarHBondContact N-OH 3.43Å; F244-Y252 VanDerWaalsContact N-OH 3.15Å
245E90.8Very high93.1Very high108 Ų10862.6 Ų62.651%0.50533%0.326SS..G310 helixtrans-59.9-34.6-175.4-172.3167.5-123.200112.7N242 N247 Y252N242-E245 HydrophobicContact CB-CB 3.78Å; N242-E245 HydrophobicContact CB-CG 4.38Å; N242-E245 PolarHBondContact ND2-OE1 3.41Å; N242-E245 WeakPolarHBondContact O-CB 3.38Å; N242-E245 PolarHBondContact O-N 3.31Å; E245-N247 VanDerWaalsContact C-N 3.27Å; E245-N247 PolarHBondContact O-N 2.95Å; E245-Y252 HydrophobicContact CB-CD2 3.86Å; E245-Y252 HydrophobicContact CB-CE2 4.07Å; E245-Y252 HydrophobicContact CB-CG 4.46Å; E245-Y252 HydrophobicContact CG-CD2 4.19Å
246K87.7Confident93Very high205 Ų20566.3 Ų66.389%0.89135%0.35SS*.G310 helixtrans-75.9-12.9-179.9-62.5-175.8-178.4178.90114F244 G248F244-K246 PolarHBondContact O-N 3.16Å; K246-G248 VanDerWaalsContact C-N 3.32Å
247N84.5Confident92.8Very high89 Ų8966.4 Ų66.448%0.47635%0.351SS..G310 helixtrans-80.1-17.8-173.9-62.818.1000112.1F244 E245 D249F244-N247 WeakPolarHBondContact O-CB 2.83Å; F244-N247 PolarHBondContact O-N 2.88Å; F244-N247 VanDerWaalsContact O-N 3.08Å; E245-N247 VanDerWaalsContact C-N 3.27Å; E245-N247 PolarHBondContact O-N 2.95Å; N247-D249 PolarHBondContact O-N 3.08Å
248G82.7Confident92.5Very high66 Ų6668.3 Ų68.368%0.6836%0.364SS*.SBendtrans78.3-12.1-178.800000115.1K246 F250K246-G248 VanDerWaalsContact C-N 3.32Å; G248-F250 VanDerWaalsContact C-N 3.33Å; G248-F250 PolarHBondContact O-N 2.91Å
249D89.4Confident92.5Very high101 Ų10169.6 Ų69.654%0.5437%0.368SS..SBendtrans-81.4-8.7-178.8-64.2-39.2000114.4N247N247-D249 PolarHBondContact O-N 3.08Å
250F96.5Very high92.4Very high13 Ų1366.4 Ų66.46%0.05735%0.349CS..  trans-129.4134.4-174.2-65.1-85.2000111.8L222 L225 I230 R231 I233 F244 G248 Y252L222-F250 HydrophobicContact CD1-CE2 3.64Å; L222-F250 HydrophobicContact CD1-CZ 3.66Å; L225-F250 HydrophobicContact CB-CE1 4.05Å; L225-F250 HydrophobicContact CB-CZ 4.19Å; L225-F250 HydrophobicContact CD1-CE1 4.03Å; L225-F250 HydrophobicContact CD1-CZ 4.11Å; I230-F250 WeakPolarHBondContact O-CE1 3.38Å; R231-F250 CarbonylContact O-C 3.54Å; R231-F250 VanDerWaalsContact O-CA 3.28Å; R231-F250 WeakPolarHBondContact O-CA 3.45Å; I233-F250 HydrophobicContact CD1-CD1 3.67Å; I233-F250 HydrophobicContact CD1-CE1 4.08Å; I233-F250 HydrophobicContact CD1-CG 4.26Å; I233-F250 HydrophobicContact CG1-CD1 4.24Å; F244-F250 HydrophobicContact CB-CD2 3.47Å; F244-F250 VanDerWaalsContact CB-CD2 3.47Å; F244-F250 HydrophobicContact CB-CE2 3.69Å; F244-F250 HydrophobicContact CB-CG 4.34Å; F244-F250 HydrophobicContact CD2-CE2 4.22Å; F244-F250 HydrophobicContact CG-CD2 4.29Å; F244-F250 HydrophobicContact CG-CE2 4.05Å; G248-F250 VanDerWaalsContact C-N 3.33Å; G248-F250 PolarHBondContact O-N 2.91Å; F250-Y252 HydrophobicContact CB-CD2 3.86Å; F250-Y252 HydrophobicContact CB-CE2 3.49Å; F250-Y252 VanDerWaalsContact CB-CE2 3.49Å; F250-Y252 HydrophobicContact CG-CE2 4.23Å
251H97.4Very high91.5Very high98 Ų9873.2 Ų73.245%0.45437%0.371SS..EExtended strand (participates in β ladder)trans-87.5117167.9-64.9-98.5000108.3R231 Y232 I233 F275R231-H251 PolarHBondContact O-N 3.22Å; Y232-H251 CarbonylContact C-O 3.59Å; Y232-H251 WeakPolarHBondContact CA-O 3.08Å; Y232-H251 HydrophobicContact CD1-CB 3.64Å; Y232-H251 HydrophobicContact CD2-CB 4.37Å; Y232-H251 HydrophobicContact CE1-CB 3.69Å; Y232-H251 AromaticContact CE1-CG 3.92Å; Y232-H251 HydrophobicContact CE2-CB 4.41Å; Y232-H251 AromaticContact CE2-CD2 3.96Å; Y232-H251 HydrophobicContact CG-CB 3.99Å; Y232-H251 AromaticContact CZ-CD2 3.98Å; Y232-H251 AromaticContact CZ-CG 3.86Å; I233-H251 PolarHBondContact N-O 3.12Å; H251-F275 WeakPolarHBondContact O-CZ 3.26Å
252Y98.1Very high90.8Very high33 Ų3372.9 Ų72.913%0.12937%0.37CS..EExtended strand (participates in β ladder)trans-105.6144.1177.1-81.3-88.8000111.2I233 N242 F244 E245 F250I233-Y252 HydrophobicContact CB-CD1 3.75Å; I233-Y252 HydrophobicContact CB-CE1 3.6Å; I233-Y252 HydrophobicContact CB-CG 4.48Å; I233-Y252 HydrophobicContact CD1-CE1 3.85Å; I233-Y252 HydrophobicContact CD1-CE2 4.37Å; I233-Y252 WeakPolarHBondContact CD1-OH 3.43Å; I233-Y252 HydrophobicContact CG1-CE1 4.27Å; I233-Y252 HydrophobicContact CG2-CD1 3.96Å; I233-Y252 HydrophobicContact CG2-CE1 3.59Å; I233-Y252 WeakPolarHBondContact O-CA 3.5Å; N242-Y252 HydrophobicContact CB-CD1 3.49Å; N242-Y252 VanDerWaalsContact CB-CD1 3.49Å; N242-Y252 HydrophobicContact CB-CD2 4.3Å; N242-Y252 HydrophobicContact CB-CE1 3.57Å; N242-Y252 HydrophobicContact CB-CE2 4.36Å; N242-Y252 HydrophobicContact CB-CG 3.85Å; F244-Y252 HydrophobicContact CB-CE2 4.26Å; F244-Y252 PolarHBondContact N-OH 3.43Å; F244-Y252 VanDerWaalsContact N-OH 3.15Å; E245-Y252 HydrophobicContact CB-CD2 3.86Å; E245-Y252 HydrophobicContact CB-CE2 4.07Å; E245-Y252 HydrophobicContact CB-CG 4.46Å; E245-Y252 HydrophobicContact CG-CD2 4.19Å; F250-Y252 HydrophobicContact CB-CD2 3.86Å; F250-Y252 HydrophobicContact CB-CE2 3.49Å; F250-Y252 VanDerWaalsContact CB-CE2 3.49Å; F250-Y252 HydrophobicContact CG-CE2 4.23Å
253K98.3Very high90.6Very high53 Ų5374.9 Ų74.923%0.2338%0.379CS..EExtended strand (participates in β ladder)trans-134134161.7179.5172.9-73.7-104.20108.4I233 L234 N235 E271 F275I233-K253 PolarHBondContact O-N 3.32Å; L234-K253 WeakPolarHBondContact CA-O 3.17Å; L234-K253 HydrophobicContact CD1-CB 3.85Å; L234-K253 HydrophobicContact CD1-CD 4.09Å; L234-K253 HydrophobicContact CD1-CG 3.81Å; N235-K253 PolarHBondContact N-O 3.1Å; K253-E271 HydrophobicContact CD-CG 4.01Å; K253-E271 WeakPolarHBondContact CD-OE1 3.33Å; K253-E271 IonicContact NZ-OE1 3.27Å; K253-E271 PolarHBondContact NZ-OE1 3.31Å; K253-F275 HydrophobicContact CB-CD1 4.22Å; K253-F275 HydrophobicContact CB-CD2 3.66Å; K253-F275 HydrophobicContact CB-CE1 4.13Å; K253-F275 HydrophobicContact CB-CE2 3.55Å; K253-F275 HydrophobicContact CB-CG 3.98Å; K253-F275 HydrophobicContact CB-CZ 3.78Å; K253-F275 HydrophobicContact CD-CB 3.78Å; K253-F275 HydrophobicContact CD-CD2 3.89Å; K253-F275 HydrophobicContact CD-CG 3.84Å; K253-F275 HydrophobicContact CG-CD2 4.42Å
254Q98.3Very high90.7Very high77 Ų7772.8 Ų72.836%0.3637%0.373SS..EExtended strand (participates in β ladder)trans-114.4125.7178.3-170.8175.413.700110.2N235 T237 P256N235-Q254 HydrophobicContact CB-CG 4.31Å; N235-Q254 CarbonylContact O-C 3.53Å; N235-Q254 WeakPolarHBondContact O-CA 3.3Å; T237-Q254 PolarHBondContact O-NE2 3.06Å; Q254-P256 WeakPolarHBondContact O-CD 3.45Å
255I98.3Very high90.8Very high1 Ų171.4 Ų71.41%0.00537%0.367CS..  trans-106.7100.5169.8-65.5170000106.8L234 N235 V236 T237 I257 L265 F268 A272L234-I255 HydrophobicContact CD1-CD1 3.88Å; L234-I255 HydrophobicContact CD1-CG1 4.16Å; L234-I255 HydrophobicContact CD2-CD1 4.49Å; N235-I255 PolarHBondContact O-N 3.42Å; V236-I255 CarbonylContact C-O 3.16Å; V236-I255 WeakPolarHBondContact CA-O 3.13Å; V236-I255 HydrophobicContact CG1-CB 4.29Å; V236-I255 HydrophobicContact CG1-CG2 4.27Å; T237-I255 PolarHBondContact N-O 3.24Å; I255-I257 VanDerWaalsContact C-N 3.28Å; I255-I257 HydrophobicContact CG2-CB 4.44Å; I255-I257 PolarHBondContact O-N 2.99Å; I255-L265 HydrophobicContact CG2-CD1 4.14Å; I255-F268 HydrophobicContact CD1-CB 3.94Å; I255-F268 HydrophobicContact CG1-CB 4.35Å; I255-F268 HydrophobicContact CG2-CB 3.9Å; I255-F268 HydrophobicContact CG2-CD1 4.1Å; I255-F268 HydrophobicContact CG2-CD2 3.7Å; I255-F268 HydrophobicContact CG2-CE2 4.2Å; I255-F268 HydrophobicContact CG2-CG 3.63Å; I255-A272 HydrophobicContact CD1-CB 3.74Å
256P96.3Very high91.2Very high78 Ų7868 Ų6851%0.50636%0.356SS..  trans-80.170.4-168.132.9-36.6000112.2P238 Q254P238-P256 HydrophobicContact CB-CB 4.19Å; Q254-P256 WeakPolarHBondContact O-CD 3.45Å
257I93.2Very high91.6Very high3 Ų364 Ų642%0.01534%0.34CS..  trans-117.1133.7-177.5-143.1178.1000113.6V236 P238 I255 Q263 N264 L265 F268 R296 F333V236-I257 HydrophobicContact CG1-CG2 3.9Å; P238-I257 VanDerWaalsContact CD-O 3.3Å; P238-I257 WeakPolarHBondContact CD-O 3.39Å; I255-I257 VanDerWaalsContact C-N 3.28Å; I255-I257 HydrophobicContact CG2-CB 4.44Å; I255-I257 PolarHBondContact O-N 2.99Å; I257-Q263 HydrophobicContact CD1-CB 3.79Å; I257-Q263 HydrophobicContact CG1-CB 3.81Å; I257-Q263 HydrophobicContact CG1-CG 4.18Å; I257-N264 VanDerWaalsContact CD1-C 3.44Å; I257-N264 WeakPolarHBondContact CD1-O 3.46Å; I257-L265 VanDerWaalsContact CD1-CA 3.44Å; I257-L265 HydrophobicContact CD1-CB 3.66Å; I257-L265 HydrophobicContact CD1-CD1 4.15Å; I257-L265 HydrophobicContact CD1-CG 4.42Å; I257-L265 HydrophobicContact CG2-CD1 4.12Å; I257-F268 HydrophobicContact CD1-CD2 4.48Å; I257-F268 HydrophobicContact CD1-CE2 4.29Å; I257-R296 HydrophobicContact CG2-CG 4.04Å; I257-R296 WeakPolarHBondContact O-CD 3.12Å; I257-R296 PolarHBondContact O-NH1 3.19Å; I257-F333 HydrophobicContact CD1-CE1 4.41Å; I257-F333 HydrophobicContact CD1-CZ 4.43Å
258S88.7Confident92.3Very high42 Ų4262 Ų6229%0.29433%0.327SS..  trans-77.4155.817262.80000111.4H260 Q263S258-H260 PolarHBondContact O-N 2.89Å; S258-H260 VanDerWaalsContact O-N 3.08Å; S258-Q263 WeakPolarHBondContact OG-CG 3.42Å
259D90.6Very high93.1Very high73 Ų7358.9 Ų58.939%0.3930%0.295SS..SBendtrans-86.667.6177.6-164.29.3000110.1S295 R296 N330 F333D259-S295 WeakPolarHBondContact OD1-CB 3.25Å; D259-S295 PolarHBondContact OD1-OG 2.67Å; D259-S295 WeakPolarHBondContact OD2-CB 3.38Å; D259-S295 PolarHBondContact OD2-OG 2.88Å; D259-R296 HydrophobicContact CB-CG 4.13Å; D259-N330 PolarHBondContact OD1-ND2 3.25Å; D259-F333 WeakPolarHBondContact OD1-CE2 3.35Å
260H84.8Confident93.5Very high79 Ų7958 Ų5837%0.36630%0.295SS..SBendtrans-134.1153.5-168.7-169.1-99.9000112.1S258 S262 Q263S258-H260 PolarHBondContact O-N 2.89Å; S258-H260 VanDerWaalsContact O-N 3.08Å; H260-S262 PolarHBondContact ND1-N 3.12Å; H260-S262 PolarHBondContact ND1-OG 3.05Å; H260-S262 PolarHBondContact O-N 3.17Å; H260-Q263 HydrophobicContact CB-CG 3.98Å; H260-Q263 PolarHBondContact O-N 2.96Å
261W71.8Confident93.6Very high187 Ų18760.9 Ų60.971%0.70831%0.308SS*.THydrogen-bonded Turntrans-65-20.7-173.763.3-99.2000114N332W261-N332 HydrophobicContact CB-CB 4.47Å; W261-N332 WeakPolarHBondContact O-CB 3.35Å; W261-N332 PolarHBondContact O-ND2 3.03Å; W261-N332 VanDerWaalsContact O-ND2 3.16Å; W261-N332 PolarHBondContact O-OD1 3.04Å
262S78.1Confident93.6Very high66 Ų6656.2 Ų56.246%0.46229%0.287SS..THydrogen-bonded Turntrans-93.1-1.9-177.663.50000114.3H260H260-S262 PolarHBondContact ND1-N 3.12Å; H260-S262 PolarHBondContact ND1-OG 3.05Å; H260-S262 PolarHBondContact O-N 3.17Å
263Q91.6Very high93.6Very high61 Ų6154.9 Ų54.929%0.28528%0.281SS..  trans-90.4140.6-171.1-65.6-65.5-48.200111.9I257 S258 H260 N332 F333 Q336I257-Q263 HydrophobicContact CD1-CB 3.79Å; I257-Q263 HydrophobicContact CG1-CB 3.81Å; I257-Q263 HydrophobicContact CG1-CG 4.18Å; S258-Q263 WeakPolarHBondContact OG-CG 3.42Å; H260-Q263 HydrophobicContact CB-CG 3.98Å; H260-Q263 PolarHBondContact O-N 2.96Å; Q263-N332 PolarHBondContact O-ND2 3.3Å; Q263-F333 HydrophobicContact CB-CE1 4.1Å; Q263-F333 HydrophobicContact CB-CZ 4.27Å; Q263-Q336 PolarHBondContact O-NE2 3Å
264N93.3Very high93.7Very high67 Ų6758.9 Ų58.936%0.35830%0.301SS..  trans-10199.9174-175.4-1.1000110.3I257 S266 Q267 F268 Q336I257-N264 VanDerWaalsContact CD1-C 3.44Å; I257-N264 WeakPolarHBondContact CD1-O 3.46Å; N264-S266 PolarHBondContact OD1-N 3.49Å; N264-S266 PolarHBondContact OD1-OG 2.73Å; N264-Q267 WeakPolarHBondContact O-CG 3.46Å; N264-Q267 PolarHBondContact O-NE2 2.76Å; N264-Q267 PolarHBondContact OD1-N 3.31Å; N264-F268 WeakPolarHBondContact O-CE2 3.03Å; N264-Q336 PolarHBondContact OD1-OE1 3.15Å
265L97.8Very high93.7Very high0 Ų055.6 Ų55.60%029%0.286CS..  trans-85.2-30.7175.3-17746.5000111.8V236 I255 I257 Q267 F268 F269 T299 V300 F333V236-L265 HydrophobicContact CG1-CD1 4.12Å; I255-L265 HydrophobicContact CG2-CD1 4.14Å; I257-L265 VanDerWaalsContact CD1-CA 3.44Å; I257-L265 HydrophobicContact CD1-CB 3.66Å; I257-L265 HydrophobicContact CD1-CD1 4.15Å; I257-L265 HydrophobicContact CD1-CG 4.42Å; I257-L265 HydrophobicContact CG2-CD1 4.12Å; L265-Q267 PolarHBondContact O-N 2.94Å; L265-F268 HydrophobicContact CD1-CB 4.49Å; L265-F268 HydrophobicContact CD1-CD2 4.34Å; L265-F268 PolarHBondContact O-N 3.45Å; L265-F269 HydrophobicContact CG-CE1 3.92Å; L265-T299 HydrophobicContact CD2-CG2 3.83Å; L265-T299 HydrophobicContact CG-CG2 4.48Å; L265-V300 HydrophobicContact CD1-CG2 4.05Å; L265-V300 HydrophobicContact CD2-CG2 4.24Å; L265-V300 HydrophobicContact CG-CG2 4.41Å; L265-F333 HydrophobicContact CB-CD1 3.84Å; L265-F333 HydrophobicContact CB-CE1 3.62Å; L265-F333 HydrophobicContact CB-CZ 4.17Å; L265-F333 HydrophobicContact CD2-CD1 4.36Å; L265-F333 HydrophobicContact CD2-CD2 4.14Å; L265-F333 HydrophobicContact CD2-CE1 4.29Å; L265-F333 HydrophobicContact CD2-CE2 4.09Å; L265-F333 HydrophobicContact CD2-CG 4.3Å; L265-F333 HydrophobicContact CD2-CZ 4.17Å
266S97.7Very high93.7Very high37 Ų3755.6 Ų55.626%0.25929%0.285SS..G310 helixtrans-59.1-30.9-176.860.40000114.5N264 F268 F269N264-S266 PolarHBondContact OD1-N 3.49Å; N264-S266 PolarHBondContact OD1-OG 2.73Å; S266-F268 PolarHBondContact O-N 2.81Å; S266-F268 VanDerWaalsContact O-N 3.13Å; S266-F269 WeakPolarHBondContact O-CB 3.02Å; S266-F269 WeakPolarHBondContact O-CG 3.48Å; S266-F269 PolarHBondContact O-N 2.89Å
267Q97.8Very high93.8Very high119 Ų11954.1 Ų54.156%0.55627%0.274SS*.G310 helixtrans-60-23.5175.870.7-173.8-31.500113.1N264 L265N264-Q267 WeakPolarHBondContact O-CG 3.46Å; N264-Q267 PolarHBondContact O-NE2 2.76Å; N264-Q267 PolarHBondContact OD1-N 3.31Å; L265-Q267 PolarHBondContact O-N 2.94Å
268F98.6Very high94Very high47 Ų4757.9 Ų57.921%0.20629%0.291CS..G310 helixtrans-96.1-1.7179.5-56.2-76.6000113.3I255 I257 N264 L265 S266 E271 A272I255-F268 HydrophobicContact CD1-CB 3.94Å; I255-F268 HydrophobicContact CG1-CB 4.35Å; I255-F268 HydrophobicContact CG2-CB 3.9Å; I255-F268 HydrophobicContact CG2-CD1 4.1Å; I255-F268 HydrophobicContact CG2-CD2 3.7Å; I255-F268 HydrophobicContact CG2-CE2 4.2Å; I255-F268 HydrophobicContact CG2-CG 3.63Å; I257-F268 HydrophobicContact CD1-CD2 4.48Å; I257-F268 HydrophobicContact CD1-CE2 4.29Å; N264-F268 WeakPolarHBondContact O-CE2 3.03Å; L265-F268 HydrophobicContact CD1-CB 4.49Å; L265-F268 HydrophobicContact CD1-CD2 4.34Å; L265-F268 PolarHBondContact O-N 3.45Å; S266-F268 PolarHBondContact O-N 2.81Å; S266-F268 VanDerWaalsContact O-N 3.13Å; F268-E271 PolarHBondContact O-N 2.76Å; F268-A272 VanDerWaalsContact O-CB 3.31Å; F268-A272 WeakPolarHBondContact O-CB 3.44Å; F268-A272 PolarHBondContact O-N 3.48Å
269F98.6Very high94.5Very high1 Ų155.9 Ų55.90%0.00428%0.277CS..Hα-helixtrans-58.1-46.8180-68.1-17.8000112.9L265 S266 E271 A272 I273 T299 A303 L337 F340L265-F269 HydrophobicContact CG-CE1 3.92Å; S266-F269 WeakPolarHBondContact O-CB 3.02Å; S266-F269 WeakPolarHBondContact O-CG 3.48Å; S266-F269 PolarHBondContact O-N 2.89Å; F269-E271 VanDerWaalsContact C-N 3.33Å; F269-E271 PolarHBondContact O-N 3.15Å; F269-A272 PolarHBondContact O-N 3.08Å; F269-I273 HydrophobicContact CB-CD1 4.21Å; F269-I273 VanDerWaalsContact O-CB 3.26Å; F269-I273 WeakPolarHBondContact O-CB 3.21Å; F269-I273 WeakPolarHBondContact O-CD1 3.35Å; F269-I273 WeakPolarHBondContact O-CG1 3.39Å; F269-I273 PolarHBondContact O-N 3.19Å; F269-T299 HydrophobicContact CE1-CG2 4.02Å; F269-T299 HydrophobicContact CZ-CG2 3.86Å; F269-A303 HydrophobicContact CD1-CB 3.79Å; F269-A303 HydrophobicContact CD2-CB 3.81Å; F269-A303 HydrophobicContact CE1-CB 3.81Å; F269-A303 HydrophobicContact CE2-CB 3.84Å; F269-A303 HydrophobicContact CG-CB 3.79Å; F269-A303 HydrophobicContact CZ-CB 3.85Å; F269-L337 HydrophobicContact CE2-CD2 4.04Å; F269-L337 HydrophobicContact CZ-CD2 3.82Å; F269-L337 HydrophobicContact CZ-CG 4.42Å; F269-F340 HydrophobicContact CB-CE2 4.37Å; F269-F340 HydrophobicContact CB-CZ 4.38Å; F269-F340 HydrophobicContact CD2-CB 4.12Å; F269-F340 AromaticContact CD2-CD1 3.85Å; F269-F340 HydrophobicContact CD2-CD1 3.85Å; F269-F340 AromaticContact CD2-CD2 3.77Å; F269-F340 HydrophobicContact CD2-CD2 3.77Å; F269-F340 HydrophobicContact CD2-CE1 4.15Å; F269-F340 HydrophobicContact CD2-CE2 4.09Å; F269-F340 AromaticContact CD2-CG 3.64Å; F269-F340 HydrophobicContact CD2-CG 3.64Å; F269-F340 HydrophobicContact CD2-CZ 4.26Å; F269-F340 HydrophobicContact CE2-CB 3.91Å; F269-F340 HydrophobicContact CE2-CD1 4.09Å; F269-F340 HydrophobicContact CE2-CD2 4.43Å; F269-F340 AromaticContact CE2-CG 3.9Å; F269-F340 HydrophobicContact CE2-CG 3.9Å
270P97.9Very high94.8Very high83 Ų8354.5 Ų54.554%0.53927%0.269SS..Hα-helixtrans-57-47.2179.1-25.435.8000112.4I273 E274P270-I273 PolarHBondContact O-N 3.33Å; P270-E274 WeakPolarHBondContact O-CB 3.28Å; P270-E274 PolarHBondContact O-N 2.92Å
271E98.2Very high95.4Very high74 Ų7455 Ų5535%0.34628%0.281SS..Hα-helixtrans-65.2-41.9-179.8-171.4-166.9167.300112.4K253 F268 F269 F275K253-E271 HydrophobicContact CD-CG 4.01Å; K253-E271 WeakPolarHBondContact CD-OE1 3.33Å; K253-E271 IonicContact NZ-OE1 3.27Å; K253-E271 PolarHBondContact NZ-OE1 3.31Å; F268-E271 PolarHBondContact O-N 2.76Å; F269-E271 VanDerWaalsContact C-N 3.33Å; F269-E271 PolarHBondContact O-N 3.15Å; E271-F275 PolarHBondContact O-N 3.13Å; E271-F275 VanDerWaalsContact O-N 3.14Å
272A98.7Very high96.6Very high0 Ų052 Ų520%028%0.275CS..Hα-helixtrans-65.4-41177.500000111.9L234 I255 F268 F269 F275 I276 V300L234-A272 HydrophobicContact CD2-CB 3.89Å; I255-A272 HydrophobicContact CD1-CB 3.74Å; F268-A272 VanDerWaalsContact O-CB 3.31Å; F268-A272 WeakPolarHBondContact O-CB 3.44Å; F268-A272 PolarHBondContact O-N 3.48Å; F269-A272 PolarHBondContact O-N 3.08Å; A272-F275 PolarHBondContact O-N 3.41Å; A272-I276 WeakPolarHBondContact O-CD1 3.5Å; A272-I276 VanDerWaalsContact O-CG1 3.26Å; A272-I276 WeakPolarHBondContact O-CG1 3.41Å; A272-I276 PolarHBondContact O-N 3.2Å; A272-I276 VanDerWaalsContact O-N 3.08Å; A272-V300 HydrophobicContact CB-CG1 3.65Å
273I98.6Very high97.5Very high4 Ų455 Ų552%0.02129%0.286CS..Hα-helixtrans-70.1-41.9-177.6-70.1169.9000110.5F269 P270 F275 I276 D277 A303 Y304 Q307 K308 F340F269-I273 HydrophobicContact CB-CD1 4.21Å; F269-I273 VanDerWaalsContact O-CB 3.26Å; F269-I273 WeakPolarHBondContact O-CB 3.21Å; F269-I273 WeakPolarHBondContact O-CD1 3.35Å; F269-I273 WeakPolarHBondContact O-CG1 3.39Å; F269-I273 PolarHBondContact O-N 3.19Å; P270-I273 PolarHBondContact O-N 3.33Å; I273-F275 VanDerWaalsContact C-N 3.35Å; I273-F275 PolarHBondContact O-N 3.02Å; I273-I276 PolarHBondContact O-N 3.04Å; I273-D277 WeakPolarHBondContact O-CB 3.5Å; I273-D277 PolarHBondContact O-N 3.34Å; I273-A303 HydrophobicContact CD1-CB 4.49Å; I273-Y304 HydrophobicContact CB-CD2 4.21Å; I273-Y304 HydrophobicContact CG1-CD2 4.07Å; I273-Y304 HydrophobicContact CG2-CD2 3.91Å; I273-Y304 HydrophobicContact CG2-CE2 4.21Å; I273-Q307 HydrophobicContact CD1-CB 4.1Å; I273-K308 HydrophobicContact CG2-CD 4.42Å; I273-K308 HydrophobicContact CG2-CG 4.23Å; I273-F340 HydrophobicContact CD1-CE1 4.44Å; I273-F340 HydrophobicContact CD1-CZ 4.11Å
274E98.6Very high97.7Very high137 Ų13753.6 Ų53.664%0.6428%0.283SS*.Hα-helixtrans-58.9-45.1173.2-176.2176.2-155.100111.8P270 I276 D277 E278P270-E274 WeakPolarHBondContact O-CB 3.28Å; P270-E274 PolarHBondContact O-N 2.92Å; E274-I276 PolarHBondContact O-N 3.44Å; E274-D277 PolarHBondContact O-N 2.84Å; E274-E278 WeakPolarHBondContact O-CB 3.11Å; E274-E278 PolarHBondContact O-N 2.79Å
275F98.8Very high98Very high9 Ų950.4 Ų50.44%0.03927%0.266CS..Hα-helixtrans-63.4-39.6178-176.7-98.7000113.2Y232 L234 H251 K253 E271 A272 I273 A279 V286Y232-F275 HydrophobicContact CD1-CD2 4.26Å; Y232-F275 HydrophobicContact CD1-CE1 4.13Å; Y232-F275 AromaticContact CD1-CE2 3.69Å; Y232-F275 HydrophobicContact CD1-CE2 3.69Å; Y232-F275 AromaticContact CD1-CZ 3.63Å; Y232-F275 HydrophobicContact CD1-CZ 3.63Å; Y232-F275 HydrophobicContact CE1-CE2 4.28Å; Y232-F275 HydrophobicContact CG-CZ 4.31Å; L234-F275 HydrophobicContact CB-CD1 3.93Å; L234-F275 HydrophobicContact CB-CE1 3.86Å; L234-F275 HydrophobicContact CD1-CD1 4.26Å; L234-F275 HydrophobicContact CG-CD1 4.47Å; H251-F275 WeakPolarHBondContact O-CZ 3.26Å; K253-F275 HydrophobicContact CB-CD1 4.22Å; K253-F275 HydrophobicContact CB-CD2 3.66Å; K253-F275 HydrophobicContact CB-CE1 4.13Å; K253-F275 HydrophobicContact CB-CE2 3.55Å; K253-F275 HydrophobicContact CB-CG 3.98Å; K253-F275 HydrophobicContact CB-CZ 3.78Å; K253-F275 HydrophobicContact CD-CB 3.78Å; K253-F275 HydrophobicContact CD-CD2 3.89Å; K253-F275 HydrophobicContact CD-CG 3.84Å; K253-F275 HydrophobicContact CG-CD2 4.42Å; E271-F275 PolarHBondContact O-N 3.13Å; E271-F275 VanDerWaalsContact O-N 3.14Å; A272-F275 PolarHBondContact O-N 3.41Å; I273-F275 VanDerWaalsContact C-N 3.35Å; I273-F275 PolarHBondContact O-N 3.02Å; F275-A279 PolarHBondContact O-N 3.18Å; F275-V286 HydrophobicContact CE1-CG2 4.3Å
276I98.8Very high98Very high0 Ų050.4 Ų50.40%027%0.266CS..Hα-helixtrans-65.9-44.5175.5-66.8163.7000109.9L211 L234 A272 I273 E274 A279 L280 V286 V288 V300 Y304L211-I276 HydrophobicContact CD1-CG2 3.96Å; L234-I276 HydrophobicContact CD2-CD1 4.37Å; L234-I276 HydrophobicContact CD2-CG1 4.42Å; A272-I276 WeakPolarHBondContact O-CD1 3.5Å; A272-I276 VanDerWaalsContact O-CG1 3.26Å; A272-I276 WeakPolarHBondContact O-CG1 3.41Å; A272-I276 PolarHBondContact O-N 3.2Å; A272-I276 VanDerWaalsContact O-N 3.08Å; I273-I276 PolarHBondContact O-N 3.04Å; E274-I276 PolarHBondContact O-N 3.44Å; I276-A279 WeakPolarHBondContact O-CB 3.36Å; I276-A279 PolarHBondContact O-N 3.37Å; I276-L280 HydrophobicContact CG2-CD1 3.93Å; I276-L280 HydrophobicContact CG2-CG 4.42Å; I276-L280 VanDerWaalsContact O-CG 3.31Å; I276-L280 WeakPolarHBondContact O-CG 3.26Å; I276-L280 PolarHBondContact O-N 3.36Å; I276-L280 VanDerWaalsContact O-N 3.1Å; I276-V286 HydrophobicContact CG1-CG2 4.41Å; I276-V286 HydrophobicContact CG2-CG1 4.08Å; I276-V288 HydrophobicContact CD1-CG2 3.81Å; I276-V288 HydrophobicContact CG1-CG2 4.03Å; I276-V300 HydrophobicContact CD1-CG1 4.16Å; I276-Y304 HydrophobicContact CB-CD2 3.72Å; I276-Y304 HydrophobicContact CB-CE2 3.64Å; I276-Y304 HydrophobicContact CD1-CD2 3.81Å; I276-Y304 HydrophobicContact CD1-CG 4.02Å; I276-Y304 HydrophobicContact CG1-CD2 4.38Å; I276-Y304 HydrophobicContact CG2-CD1 4.23Å; I276-Y304 HydrophobicContact CG2-CD2 3.55Å; I276-Y304 HydrophobicContact CG2-CE1 3.98Å; I276-Y304 HydrophobicContact CG2-CE2 3.24Å; I276-Y304 HydrophobicContact CG2-CG 4.05Å
277D97.9Very high98.1Very high48 Ų4848.7 Ų48.726%0.25725%0.254SS..Hα-helixtrans-62.9-41.4178.3-97.117.4000112.8I273 E274 A279 L280 S281 Y304 K308I273-D277 WeakPolarHBondContact O-CB 3.5Å; I273-D277 PolarHBondContact O-N 3.34Å; E274-D277 PolarHBondContact O-N 2.84Å; D277-A279 VanDerWaalsContact C-N 3.31Å; D277-A279 PolarHBondContact O-N 3.42Å; D277-L280 PolarHBondContact O-N 3.12Å; D277-S281 WeakPolarHBondContact O-CB 3.35Å; D277-S281 PolarHBondContact O-N 2.84Å; D277-S281 PolarHBondContact O-OG 3.3Å; D277-Y304 WeakPolarHBondContact OD1-CE2 3.35Å; D277-Y304 PolarHBondContact OD1-OH 3.36Å; D277-K308 VanDerWaalsContact CG-CE 3.49Å; D277-K308 WeakPolarHBondContact OD2-CE 3.45Å; D277-K308 IonicContact OD2-NZ 2.58Å; D277-K308 PolarHBondContact OD2-NZ 2.87Å
278E98.3Very high98.1Very high82 Ų8243 Ų4338%0.38323%0.227SC..Hα-helixtrans-55.3-50.7176.2-170.3-164.4146.300110.1Y232 E274 L280 S281 Q282Y232-E278 HydrophobicContact CE1-CB 4.4Å; Y232-E278 HydrophobicContact CE1-CG 4.12Å; Y232-E278 WeakPolarHBondContact CE1-OE1 3.47Å; Y232-E278 PolarHBondContact OH-OE1 2.9Å; E274-E278 WeakPolarHBondContact O-CB 3.11Å; E274-E278 PolarHBondContact O-N 2.79Å; E278-L280 PolarHBondContact O-N 3.01Å; E278-S281 PolarHBondContact O-N 2.83Å; E278-S281 PolarHBondContact O-OG 3.16Å; E278-Q282 WeakPolarHBondContact O-CG 3.16Å; E278-Q282 PolarHBondContact O-N 2.92Å; E278-Q282 VanDerWaalsContact O-N 3.16Å
279A98.2Very high98.1Very high0 Ų040.8 Ų40.80%022%0.218CC..Hα-helixtrans-58.3-46.7178.600000112.6Y232 F275 I276 D277 S281 Q282 N283 C284 V286Y232-A279 HydrophobicContact CD1-CB 3.72Å; Y232-A279 HydrophobicContact CD2-CB 3.52Å; Y232-A279 HydrophobicContact CE1-CB 4.29Å; Y232-A279 HydrophobicContact CE2-CB 4.12Å; Y232-A279 HydrophobicContact CG-CB 3.31Å; F275-A279 PolarHBondContact O-N 3.18Å; I276-A279 WeakPolarHBondContact O-CB 3.36Å; I276-A279 PolarHBondContact O-N 3.37Å; D277-A279 VanDerWaalsContact C-N 3.31Å; D277-A279 PolarHBondContact O-N 3.42Å; A279-S281 VanDerWaalsContact C-N 3.34Å; A279-Q282 PolarHBondContact O-N 2.86Å; A279-N283 PolarHBondContact O-N 3.5Å; A279-C284 PolarHBondContact O-N 2.91Å; A279-V286 HydrophobicContact CB-CB 3.62Å; A279-V286 HydrophobicContact CB-CG1 4.07Å; A279-V286 HydrophobicContact CB-CG2 4.25Å
280L97.6Very high98.1Very high44 Ų4440.9 Ų40.923%0.2322%0.218CC..Hα-helixtrans-68.3-34.3-179-64.3177.1000111.9N210 I276 D277 E278 Q282 N283 V286 Y304N210-L280 HydrophobicContact CB-CD2 3.56Å; I276-L280 HydrophobicContact CG2-CD1 3.93Å; I276-L280 HydrophobicContact CG2-CG 4.42Å; I276-L280 VanDerWaalsContact O-CG 3.31Å; I276-L280 WeakPolarHBondContact O-CG 3.26Å; I276-L280 PolarHBondContact O-N 3.36Å; I276-L280 VanDerWaalsContact O-N 3.1Å; D277-L280 PolarHBondContact O-N 3.12Å; E278-L280 PolarHBondContact O-N 3.01Å; L280-Q282 VanDerWaalsContact C-N 3.28Å; L280-Q282 PolarHBondContact O-N 3.43Å; L280-N283 PolarHBondContact O-N 3.35Å; L280-V286 HydrophobicContact CD2-CG1 4.21Å; L280-V286 HydrophobicContact CG-CG1 4.39Å; L280-Y304 HydrophobicContact CD1-CE1 4.31Å; L280-Y304 VanDerWaalsContact CD1-OH 3.22Å; L280-Y304 WeakPolarHBondContact CD1-OH 3.34Å
281S97.5Very high97.8Very high88 Ų8841.8 Ų41.862%0.61522%0.218SC*.Hα-helixtrans-65.6-31175.777.90000112.8D277 E278 A279 N283D277-S281 WeakPolarHBondContact O-CB 3.35Å; D277-S281 PolarHBondContact O-N 2.84Å; D277-S281 PolarHBondContact O-OG 3.3Å; E278-S281 PolarHBondContact O-N 2.83Å; E278-S281 PolarHBondContact O-OG 3.16Å; A279-S281 VanDerWaalsContact C-N 3.34Å; S281-N283 PolarHBondContact O-N 2.92Å
282Q96.8Very high97.4Very high125 Ų12541.1 Ų41.158%0.58423%0.225SC*.THydrogen-bonded Turntrans-845.2174-61.7-61.2-29.300112.8E278 A279 L280 C284E278-Q282 WeakPolarHBondContact O-CG 3.16Å; E278-Q282 PolarHBondContact O-N 2.92Å; E278-Q282 VanDerWaalsContact O-N 3.16Å; A279-Q282 PolarHBondContact O-N 2.86Å; L280-Q282 VanDerWaalsContact C-N 3.28Å; L280-Q282 PolarHBondContact O-N 3.43Å; Q282-C284 HydrophobicContact CB-CB 4.48Å; Q282-C284 PolarHBondContact O-N 2.6Å
283N96.1Very high97.3Very high128 Ų12841.1 Ų41.168%0.68423%0.225SC*.THydrogen-bonded Turntrans54.430.2-173.8-164.748.9000113.2N210 A279 L280 S281N210-N283 PolarHBondContact ND2-OD1 2.84Å; A279-N283 PolarHBondContact O-N 3.5Å; L280-N283 PolarHBondContact O-N 3.35Å; S281-N283 PolarHBondContact O-N 2.92Å
284C96.9Very high97.1Very high32 Ų3242.6 Ų42.622%0.21623%0.234CC..  trans-97.5148.2176.8-77.10000110.4R231 Y232 A279 Q282R231-C284 HydrophobicContact CB-CB 4.18Å; R231-C284 HydrophobicContact CG-CB 4.43Å; Y232-C284 HydrophobicContact CD2-CB 3.95Å; Y232-C284 HydrophobicContact CE2-CB 4.12Å; A279-C284 PolarHBondContact O-N 2.91Å; Q282-C284 HydrophobicContact CB-CB 4.48Å; Q282-C284 PolarHBondContact O-N 2.6Å
285G98.2Very high97Very high1 Ų136.2 Ų36.21%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-68.6140.116900000111.4N210 G229 I230 R231 Y232N210-G285 CarbonylContact O-C 3.56Å; N210-G285 WeakPolarHBondContact O-CA 3.34Å; G229-G285 WeakPolarHBondContact O-CA 3.37Å; G229-G285 PolarHBondContact O-N 2.88Å; I230-G285 CarbonylContact C-O 3.56Å; I230-G285 VanDerWaalsContact CA-O 3.29Å; I230-G285 WeakPolarHBondContact CA-O 3.49Å; R231-G285 PolarHBondContact N-O 3.44Å; Y232-G285 PolarHBondContact N-O 2.88Å; Y232-G285 VanDerWaalsContact N-O 3.11Å
286V98.8Very high97Very high0 Ų036.8 Ų36.80%021%0.207CC..EExtended strand (participates in β ladder)trans-121.7131.6172.355.80000111.2N210 L211 Y212 Y232 F275 I276 A279 L280N210-V286 PolarHBondContact O-N 2.99Å; L211-V286 HydrophobicContact CB-CG1 4.44Å; L211-V286 HydrophobicContact CD1-CG1 3.78Å; Y212-V286 PolarHBondContact N-O 3.02Å; Y232-V286 CarbonylContact O-C 3.36Å; Y232-V286 VanDerWaalsContact O-CA 3.27Å; Y232-V286 WeakPolarHBondContact O-CA 3.38Å; F275-V286 HydrophobicContact CE1-CG2 4.3Å; I276-V286 HydrophobicContact CG1-CG2 4.41Å; I276-V286 HydrophobicContact CG2-CG1 4.08Å; A279-V286 HydrophobicContact CB-CB 3.62Å; A279-V286 HydrophobicContact CB-CG1 4.07Å; A279-V286 HydrophobicContact CB-CG2 4.25Å; L280-V286 HydrophobicContact CD2-CG1 4.21Å; L280-V286 HydrophobicContact CG-CG1 4.39Å
287L98.8Very high97Very high0 Ų036.8 Ų36.80%021%0.207CC..EExtended strand (participates in β ladder)trans-105.1117.2173.1176.162.7000110.4P204 Y212 D218 L225 I230 Y232 I233 L234 H289P204-L287 HydrophobicContact CB-CD1 3.66Å; P204-L287 HydrophobicContact CG-CD1 4.11Å; Y212-L287 WeakPolarHBondContact O-CA 3.2Å; D218-L287 HydrophobicContact CB-CD2 4.47Å; L225-L287 HydrophobicContact CD2-CD2 3.81Å; I230-L287 HydrophobicContact CD1-CB 4.26Å; I230-L287 HydrophobicContact CG2-CB 3.88Å; Y232-L287 PolarHBondContact O-N 2.81Å; I233-L287 WeakPolarHBondContact CA-O 3.3Å; I233-L287 HydrophobicContact CG1-CB 4.46Å; L234-L287 PolarHBondContact N-O 3.48Å; L287-H289 HydrophobicContact CD2-CB 4.47Å; L287-H289 HydrophobicContact CG-CB 4.23Å
288V98.9Very high97.1Very high0 Ų034.5 Ų34.50%019%0.194CC..EExtended strand (participates in β ladder)trans-96116.5167.5-171.50000108.4L211 Y212 G214 L234 V236 I276 V300L211-V288 HydrophobicContact CD1-CG2 3.94Å; Y212-V288 PolarHBondContact O-N 2.89Å; G214-V288 PolarHBondContact N-O 2.81Å; L234-V288 HydrophobicContact CB-CG1 4.47Å; L234-V288 HydrophobicContact CB-CG2 4.36Å; L234-V288 HydrophobicContact CD2-CG1 4.09Å; L234-V288 HydrophobicContact CD2-CG2 4.29Å; L234-V288 HydrophobicContact CG-CG1 4.42Å; V236-V288 HydrophobicContact CG2-CG1 4.21Å; I276-V288 HydrophobicContact CD1-CG2 3.81Å; I276-V288 HydrophobicContact CG1-CG2 4.03Å; V288-V300 HydrophobicContact CG1-CB 4.19Å; V288-V300 HydrophobicContact CG1-CG1 4.03Å
289H98.7Very high97.1Very high1 Ų130.6 Ų30.61%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-133.9159.8-177.782.896.5000113.5G214 S219 L234 N235 V236 L287 S297G214-H289 WeakPolarHBondContact O-CA 3.38Å; G214-H289 WeakPolarHBondContact O-CB 3.43Å; S219-H289 WeakPolarHBondContact CB-NE2 3.47Å; S219-H289 PolarHBondContact OG-CE1 3.37Å; S219-H289 VanDerWaalsContact OG-CE1 3.26Å; S219-H289 PolarHBondContact OG-ND1 3.28Å; L234-H289 PolarHBondContact O-CD2 3.07Å; L234-H289 PolarHBondContact O-N 2.87Å; N235-H289 WeakPolarHBondContact CA-NE2 3.3Å; N235-H289 WeakPolarHBondContact CB-NE2 3.15Å; V236-H289 PolarHBondContact N-O 3.38Å; L287-H289 HydrophobicContact CD2-CB 4.47Å; L287-H289 HydrophobicContact CG-CB 4.23Å; H289-S297 VanDerWaalsContact C-CB 3.46Å
290C97.5Very high97.1Very high2 Ų230.6 Ų30.61%0.01418%0.177CC..  trans-136.3-152.8164.965.20000108.1S215 A216 V236 T237 G293 R296 S297S215-C290 CarbonylContact C-O 3.55Å; A216-C290 PolarHBondContact N-O 3.19Å; V236-C290 HydrophobicContact CB-CB 4.48Å; T237-C290 HydrophobicContact CG2-CB 3.95Å; C290-G293 PolarHBondContact SG-N 2.77Å; C290-G293 VanDerWaalsContact SG-N 3.37Å; C290-R296 HydrophobicContact CB-CB 3.85Å; C290-S297 PolarHBondContact SG-OG 3.44Å
291L92.7Very high97.2Very high102 Ų10228.5 Ų28.553%0.53417%0.166SC..SBendtrans-64-63.8177.3-17863000112.3S215 A216 L240S215-L291 WeakPolarHBondContact CB-O 3.49Å; A216-L291 HydrophobicContact CB-CD1 4.28Å; A216-L291 PolarHBondContact N-O 3.08Å; L240-L291 HydrophobicContact CD1-CB 4.41Å; L240-L291 HydrophobicContact CD1-CD1 4.13Å; L240-L291 HydrophobicContact CD2-CD1 4.24Å
292A90.2Very high97.3Very high60 Ų6024.3 Ų24.350%0.49614%0.136SC..SBendtrans-99.1-10.7-17500000114.1V294A292-V294 HydrophobicContact CB-CB 4.36Å; A292-V294 HydrophobicContact CB-CG2 3.97Å
293G95.6Very high97.4Very high0 Ų018.4 Ų18.40%011%0.108CC..SBendtrans69.530.1-172.900000114G214 C290 S297 K324G214-G293 WeakPolarHBondContact O-CA 3.4Å; C290-G293 PolarHBondContact SG-N 2.77Å; C290-G293 VanDerWaalsContact SG-N 3.37Å; G293-S297 WeakPolarHBondContact CA-OG 3.48Å; G293-K324 WeakPolarHBondContact O-CE 3.12Å
294V94.4Very high97.5Very high35 Ų3513 Ų1321%0.2128%0.078CC..SBendtrans-114.5-36.1-170.9171.40000113.7A292 V298 S328A292-V294 HydrophobicContact CB-CB 4.36Å; A292-V294 HydrophobicContact CB-CG2 3.97Å; V294-V298 VanDerWaalsContact O-CG2 3.23Å; V294-V298 WeakPolarHBondContact O-CG2 3.46Å; V294-S328 CarbonylContact O-C 3.56Å; V294-S328 VanDerWaalsContact O-C 3.26Å; V294-S328 PolarHBondContact O-N 3.29Å
295S97.4Very high97.6Very high3 Ų311.4 Ų11.42%0.0217%0.068CC..SBendtrans-123.3-73.4-170.4173.30000113.4D259 V298 T299 N330D259-S295 WeakPolarHBondContact OD1-CB 3.25Å; D259-S295 PolarHBondContact OD1-OG 2.67Å; D259-S295 WeakPolarHBondContact OD2-CB 3.38Å; D259-S295 PolarHBondContact OD2-OG 2.88Å; S295-V298 WeakPolarHBondContact O-CB 3.5Å; S295-V298 PolarHBondContact O-N 3.12Å; S295-T299 WeakPolarHBondContact O-CB 3.35Å; S295-T299 PolarHBondContact O-N 2.78Å; S295-T299 PolarHBondContact O-OG1 2.91Å; S295-N330 PolarHBondContact OG-N 3.04Å; S295-N330 VanDerWaalsContact OG-N 3.08Å
296R98.6Very high97.6Very high21 Ų2111.5 Ų11.58%0.0797%0.068CC..Hα-helixtrans-57.8-56.5-176.6-72.5168.7-70.6-177.6-6.8113.9V236 I257 D259 C290 V298 T299 V300 F333V236-R296 HydrophobicContact CB-CB 4.2Å; V236-R296 HydrophobicContact CG1-CB 3.8Å; V236-R296 VanDerWaalsContact O-CD 3.3Å; V236-R296 WeakPolarHBondContact O-CD 3.43Å; V236-R296 PolarHBondContact O-NH1 3.02Å; I257-R296 HydrophobicContact CG2-CG 4.04Å; I257-R296 WeakPolarHBondContact O-CD 3.12Å; I257-R296 PolarHBondContact O-NH1 3.19Å; D259-R296 HydrophobicContact CB-CG 4.13Å; C290-R296 HydrophobicContact CB-CB 3.85Å; R296-V298 VanDerWaalsContact C-N 3.28Å; R296-V298 PolarHBondContact O-N 3.17Å; R296-T299 WeakPolarHBondContact O-CB 3.4Å; R296-T299 PolarHBondContact O-N 3.16Å; R296-T299 VanDerWaalsContact O-N 3.11Å; R296-V300 PolarHBondContact O-N 3.23Å; R296-V300 VanDerWaalsContact O-N 3.1Å; R296-F333 HydrophobicContact CB-CE2 4.5Å; R296-F333 HydrophobicContact CG-CD2 4.44Å; R296-F333 HydrophobicContact CG-CE2 3.53Å; R296-F333 HydrophobicContact CG-CZ 4.18Å
297S98.7Very high97.5Very high0 Ų014.3 Ų14.30%08%0.081CC..Hα-helixtrans-64.7-33.6179.753.50000112.8L213 H289 C290 G293 T301L213-S297 WeakPolarHBondContact CD1-OG 2.8Å; H289-S297 VanDerWaalsContact C-CB 3.46Å; C290-S297 PolarHBondContact SG-OG 3.44Å; G293-S297 WeakPolarHBondContact CA-OG 3.48Å; S297-T301 WeakPolarHBondContact O-CB 3.38Å; S297-T301 PolarHBondContact O-N 2.88Å; S297-T301 PolarHBondContact O-OG1 3.46Å
298V98.8Very high97.4Very high0 Ų018.1 Ų18.10%010%0.098CC..Hα-helixtrans-62.2-46.2171.71740000110.4L213 V294 S295 R296 V300 T301 V302 V320 I327 P329L213-V298 HydrophobicContact CD1-CG2 4.28Å; L213-V298 HydrophobicContact CD2-CG2 3.86Å; V294-V298 VanDerWaalsContact O-CG2 3.23Å; V294-V298 WeakPolarHBondContact O-CG2 3.46Å; S295-V298 WeakPolarHBondContact O-CB 3.5Å; S295-V298 PolarHBondContact O-N 3.12Å; R296-V298 VanDerWaalsContact C-N 3.28Å; R296-V298 PolarHBondContact O-N 3.17Å; V298-V300 VanDerWaalsContact C-N 3.35Å; V298-V300 PolarHBondContact O-N 3.06Å; V298-T301 WeakPolarHBondContact O-CB 3.36Å; V298-T301 PolarHBondContact O-N 3.41Å; V298-T301 VanDerWaalsContact O-N 3.15Å; V298-V302 HydrophobicContact CG1-CG2 4.14Å; V298-V302 WeakPolarHBondContact O-CG2 3.32Å; V298-V302 PolarHBondContact O-N 3.26Å; V298-V320 HydrophobicContact CG1-CG1 4.46Å; V298-I327 HydrophobicContact CB-CG2 4.44Å; V298-I327 HydrophobicContact CG1-CB 3.92Å; V298-I327 HydrophobicContact CG1-CD1 4.02Å; V298-I327 HydrophobicContact CG1-CG2 4.05Å; V298-I327 HydrophobicContact CG2-CB 3.9Å; V298-I327 HydrophobicContact CG2-CG2 3.47Å; V298-I327 VanDerWaalsContact CG2-CG2 3.47Å; V298-P329 HydrophobicContact CB-CG 4.23Å; V298-P329 HydrophobicContact CG1-CG 3.66Å
299T98.8Very high97.2Very high0 Ų022 Ų220%012%0.118CC..Hα-helixtrans-58.2-48.4-179.4-54.20000110.7L265 F269 S295 R296 T301 V302 A303 F333 L337L265-T299 HydrophobicContact CD2-CG2 3.83Å; L265-T299 HydrophobicContact CG-CG2 4.48Å; F269-T299 HydrophobicContact CE1-CG2 4.02Å; F269-T299 HydrophobicContact CZ-CG2 3.86Å; S295-T299 WeakPolarHBondContact O-CB 3.35Å; S295-T299 PolarHBondContact O-N 2.78Å; S295-T299 PolarHBondContact O-OG1 2.91Å; R296-T299 WeakPolarHBondContact O-CB 3.4Å; R296-T299 PolarHBondContact O-N 3.16Å; R296-T299 VanDerWaalsContact O-N 3.11Å; T299-T301 VanDerWaalsContact C-N 3.34Å; T299-T301 PolarHBondContact O-N 2.9Å; T299-V302 PolarHBondContact O-N 2.92Å; T299-A303 WeakPolarHBondContact O-CB 3.22Å; T299-A303 PolarHBondContact O-N 3.5Å; T299-F333 HydrophobicContact CG2-CB 3.8Å; T299-F333 HydrophobicContact CG2-CG 4.31Å; T299-L337 HydrophobicContact CG2-CD1 3.87Å; T299-L337 HydrophobicContact CG2-CD2 4.09Å; T299-L337 HydrophobicContact CG2-CG 3.83Å
300V98.9Very high97.1Very high1 Ų128.4 Ų28.41%0.00615%0.148CC..Hα-helixtrans-60.4-44175.6172.40000111.6L234 V236 L265 A272 I276 V288 R296 V298 V302 A303 Y304L234-V300 HydrophobicContact CD2-CG1 3.85Å; V236-V300 HydrophobicContact CG1-CG2 4.25Å; V236-V300 HydrophobicContact CG2-CG2 4.1Å; L265-V300 HydrophobicContact CD1-CG2 4.05Å; L265-V300 HydrophobicContact CD2-CG2 4.24Å; L265-V300 HydrophobicContact CG-CG2 4.41Å; A272-V300 HydrophobicContact CB-CG1 3.65Å; I276-V300 HydrophobicContact CD1-CG1 4.16Å; V288-V300 HydrophobicContact CG1-CB 4.19Å; V288-V300 HydrophobicContact CG1-CG1 4.03Å; R296-V300 PolarHBondContact O-N 3.23Å; R296-V300 VanDerWaalsContact O-N 3.1Å; V298-V300 VanDerWaalsContact C-N 3.35Å; V298-V300 PolarHBondContact O-N 3.06Å; V300-V302 PolarHBondContact O-N 3.03Å; V300-A303 PolarHBondContact O-N 3.03Å; V300-Y304 PolarHBondContact O-N 3.34Å
301T98.9Very high97Very high0 Ų030.6 Ų30.60%016%0.159CC..Hα-helixtrans-63.1-42.1179-56.20000111.7I207 S297 V298 T299 Y304 L305 V320I207-T301 HydrophobicContact CB-CG2 4.36Å; I207-T301 HydrophobicContact CG1-CG2 4.13Å; I207-T301 HydrophobicContact CG2-CG2 3.97Å; S297-T301 WeakPolarHBondContact O-CB 3.38Å; S297-T301 PolarHBondContact O-N 2.88Å; S297-T301 PolarHBondContact O-OG1 3.46Å; V298-T301 WeakPolarHBondContact O-CB 3.36Å; V298-T301 PolarHBondContact O-N 3.41Å; V298-T301 VanDerWaalsContact O-N 3.15Å; T299-T301 VanDerWaalsContact C-N 3.34Å; T299-T301 PolarHBondContact O-N 2.9Å; T301-Y304 WeakPolarHBondContact O-CB 3.43Å; T301-Y304 PolarHBondContact O-N 3.33Å; T301-L305 VanDerWaalsContact O-CG 3.31Å; T301-L305 WeakPolarHBondContact O-CG 3.31Å; T301-L305 PolarHBondContact O-N 3.07Å; T301-V320 HydrophobicContact CG2-CG2 4.15Å
302V98.9Very high97.2Very high0 Ų027.1 Ų27.10%014%0.144CC..Hα-helixtrans-65.8-44.3177.2170.90000110.6V298 T299 V300 Y304 L305 M306 L313 A316 V320 L337V298-V302 HydrophobicContact CG1-CG2 4.14Å; V298-V302 WeakPolarHBondContact O-CG2 3.32Å; V298-V302 PolarHBondContact O-N 3.26Å; T299-V302 PolarHBondContact O-N 2.92Å; V300-V302 PolarHBondContact O-N 3.03Å; V302-Y304 VanDerWaalsContact C-N 3.3Å; V302-Y304 PolarHBondContact O-N 3.25Å; V302-L305 PolarHBondContact O-N 2.94Å; V302-M306 HydrophobicContact CG1-CG 4.38Å; V302-M306 HydrophobicContact CG1-SD 3.87Å; V302-M306 VanDerWaalsContact O-CG 3.27Å; V302-M306 WeakPolarHBondContact O-CG 3.3Å; V302-M306 PolarHBondContact O-N 3.39Å; V302-L313 HydrophobicContact CG1-CD1 3.66Å; V302-A316 HydrophobicContact CG1-CB 3.95Å; V302-V320 HydrophobicContact CG2-CG2 3.97Å; V302-L337 HydrophobicContact CB-CD1 4.2Å; V302-L337 HydrophobicContact CB-CD2 4.44Å; V302-L337 HydrophobicContact CG1-CD1 3.9Å; V302-L337 HydrophobicContact CG1-CD2 4.14Å
303A98.8Very high97.6Very high0 Ų024.5 Ų24.50%012%0.121CC..Hα-helixtrans-57.8-42.8174.900000111.9F269 I273 T299 V300 M306 Q307 L337 F340F269-A303 HydrophobicContact CD1-CB 3.79Å; F269-A303 HydrophobicContact CD2-CB 3.81Å; F269-A303 HydrophobicContact CE1-CB 3.81Å; F269-A303 HydrophobicContact CE2-CB 3.84Å; F269-A303 HydrophobicContact CG-CB 3.79Å; F269-A303 HydrophobicContact CZ-CB 3.85Å; I273-A303 HydrophobicContact CD1-CB 4.49Å; T299-A303 WeakPolarHBondContact O-CB 3.22Å; T299-A303 PolarHBondContact O-N 3.5Å; V300-A303 PolarHBondContact O-N 3.03Å; A303-M306 PolarHBondContact O-N 3.15Å; A303-Q307 PolarHBondContact O-N 3.41Å; A303-L337 HydrophobicContact CB-CD2 3.83Å; A303-F340 HydrophobicContact CB-CD1 4.14Å; A303-F340 HydrophobicContact CB-CE1 3.96Å
304Y98.8Very high97.5Very high14 Ų1430 Ų306%0.05515%0.151CC..Hα-helixtrans-57.9-49.9174.5179.6-92000112.3L208 L211 I273 I276 D277 L280 V300 T301 V302 M306 Q307 K308L208-Y304 HydrophobicContact CD1-CE1 4.24Å; L211-Y304 HydrophobicContact CD2-CD1 3.74Å; L211-Y304 HydrophobicContact CD2-CE1 3.94Å; I273-Y304 HydrophobicContact CB-CD2 4.21Å; I273-Y304 HydrophobicContact CG1-CD2 4.07Å; I273-Y304 HydrophobicContact CG2-CD2 3.91Å; I273-Y304 HydrophobicContact CG2-CE2 4.21Å; I276-Y304 HydrophobicContact CB-CD2 3.72Å; I276-Y304 HydrophobicContact CB-CE2 3.64Å; I276-Y304 HydrophobicContact CD1-CD2 3.81Å; I276-Y304 HydrophobicContact CD1-CG 4.02Å; I276-Y304 HydrophobicContact CG1-CD2 4.38Å; I276-Y304 HydrophobicContact CG2-CD1 4.23Å; I276-Y304 HydrophobicContact CG2-CD2 3.55Å; I276-Y304 HydrophobicContact CG2-CE1 3.98Å; I276-Y304 HydrophobicContact CG2-CE2 3.24Å; I276-Y304 HydrophobicContact CG2-CG 4.05Å; D277-Y304 WeakPolarHBondContact OD1-CE2 3.35Å; D277-Y304 PolarHBondContact OD1-OH 3.36Å; L280-Y304 HydrophobicContact CD1-CE1 4.31Å; L280-Y304 VanDerWaalsContact CD1-OH 3.22Å; L280-Y304 WeakPolarHBondContact CD1-OH 3.34Å; V300-Y304 PolarHBondContact O-N 3.34Å; T301-Y304 WeakPolarHBondContact O-CB 3.43Å; T301-Y304 PolarHBondContact O-N 3.33Å; V302-Y304 VanDerWaalsContact C-N 3.3Å; V302-Y304 PolarHBondContact O-N 3.25Å; Y304-M306 VanDerWaalsContact C-N 3.33Å; Y304-M306 PolarHBondContact O-N 3.02Å; Y304-Q307 PolarHBondContact O-N 3.32Å; Y304-K308 HydrophobicContact CD2-CG 4.04Å; Y304-K308 HydrophobicContact CE1-CB 4.16Å; Y304-K308 HydrophobicContact CE1-CG 4.21Å; Y304-K308 HydrophobicContact CE2-CB 4.41Å; Y304-K308 HydrophobicContact CE2-CD 4.48Å; Y304-K308 HydrophobicContact CE2-CG 3.59Å; Y304-K308 WeakPolarHBondContact O-CB 3.27Å; Y304-K308 PolarHBondContact O-N 3.43Å
305L98.7Very high97.5Very high0 Ų032.5 Ų32.50%016%0.163CC..Hα-helixtrans-62-40.8179.2-66.2173.2000112.1I207 L208 T301 V302 L309 L311 A316 L319 V320I207-L305 HydrophobicContact CG2-CD1 4Å; I207-L305 HydrophobicContact CG2-CD2 4.35Å; L208-L305 HydrophobicContact CD1-CD2 3.57Å; L208-L305 HydrophobicContact CD2-CD2 4.2Å; L208-L305 HydrophobicContact CG-CD2 3.88Å; T301-L305 VanDerWaalsContact O-CG 3.31Å; T301-L305 WeakPolarHBondContact O-CG 3.31Å; T301-L305 PolarHBondContact O-N 3.07Å; V302-L305 PolarHBondContact O-N 2.94Å; L305-L309 HydrophobicContact CD2-CD1 3.71Å; L305-L309 WeakPolarHBondContact O-CA 3.41Å; L305-L309 VanDerWaalsContact O-CB 3.32Å; L305-L309 WeakPolarHBondContact O-CB 3.07Å; L305-L309 PolarHBondContact O-N 3.03Å; L305-L311 HydrophobicContact CB-CD1 4.44Å; L305-A316 HydrophobicContact CB-CB 3.9Å; L305-L319 HydrophobicContact CD1-CD2 4.03Å; L305-V320 HydrophobicContact CD1-CG2 3.52Å
306M98.5Very high97.6Very high2 Ų232.3 Ų32.31%0.0116%0.162CC..Hα-helixtrans-60-49176.7-68.6165.359.900111.3V302 A303 Y304 H310 L311 L313 A316 L337 F340 E341 L344V302-M306 HydrophobicContact CG1-CG 4.38Å; V302-M306 HydrophobicContact CG1-SD 3.87Å; V302-M306 VanDerWaalsContact O-CG 3.27Å; V302-M306 WeakPolarHBondContact O-CG 3.3Å; V302-M306 PolarHBondContact O-N 3.39Å; A303-M306 PolarHBondContact O-N 3.15Å; Y304-M306 VanDerWaalsContact C-N 3.33Å; Y304-M306 PolarHBondContact O-N 3.02Å; M306-H310 WeakPolarHBondContact O-CA 3.44Å; M306-H310 PolarHBondContact O-N 3.34Å; M306-H310 VanDerWaalsContact O-N 3.15Å; M306-L311 WeakPolarHBondContact CA-O 3.27Å; M306-L311 PolarHBondContact O-N 2.98Å; M306-L313 HydrophobicContact CE-CB 4.21Å; M306-L313 HydrophobicContact SD-CB 4.19Å; M306-L313 HydrophobicContact SD-CD1 3.88Å; M306-A316 HydrophobicContact CG-CB 3.66Å; M306-L337 HydrophobicContact SD-CD2 4.06Å; M306-F340 HydrophobicContact CE-CD1 4.02Å; M306-E341 HydrophobicContact CE-CB 3.48Å; M306-E341 VanDerWaalsContact CE-CB 3.48Å; M306-E341 HydrophobicContact CE-CG 4.02Å; M306-L344 HydrophobicContact CB-CD1 4.01Å; M306-L344 HydrophobicContact CE-CD1 4.47Å
307Q97.7Very high97.5Very high59 Ų5933.6 Ų33.628%0.27617%0.167SC..Hα-helixtrans-73.5-40.9-176.8-174.1166.511.100113.1I273 A303 Y304 F340 L344I273-Q307 HydrophobicContact CD1-CB 4.1Å; A303-Q307 PolarHBondContact O-N 3.41Å; Y304-Q307 PolarHBondContact O-N 3.32Å; Q307-F340 HydrophobicContact CB-CE1 4.33Å; Q307-F340 HydrophobicContact CB-CZ 4.23Å; Q307-L344 HydrophobicContact CB-CD1 4.2Å; Q307-L344 HydrophobicContact CB-CD2 4.17Å; Q307-L344 HydrophobicContact CG-CD2 3.91Å
308K96.3Very high97.4Very high81 Ų8137.2 Ų37.235%0.35219%0.186SC..Hα-helixtrans-90.8-24.4-171.2-65-69.5169.8179.20114.5I273 D277 Y304I273-K308 HydrophobicContact CG2-CD 4.42Å; I273-K308 HydrophobicContact CG2-CG 4.23Å; D277-K308 VanDerWaalsContact CG-CE 3.49Å; D277-K308 WeakPolarHBondContact OD2-CE 3.45Å; D277-K308 IonicContact OD2-NZ 2.58Å; D277-K308 PolarHBondContact OD2-NZ 2.87Å; Y304-K308 HydrophobicContact CD2-CG 4.04Å; Y304-K308 HydrophobicContact CE1-CB 4.16Å; Y304-K308 HydrophobicContact CE1-CG 4.21Å; Y304-K308 HydrophobicContact CE2-CB 4.41Å; Y304-K308 HydrophobicContact CE2-CD 4.48Å; Y304-K308 HydrophobicContact CE2-CG 3.59Å; Y304-K308 WeakPolarHBondContact O-CB 3.27Å; Y304-K308 PolarHBondContact O-N 3.43Å
309L95.4Very high97.3Very high82 Ų8238.6 Ų38.643%0.42919%0.193SC..Hα-helixtrans-110.67176.3-59.6176.2000112.6L208 L305 L311L208-L309 HydrophobicContact CD1-CD1 4.07Å; L208-L309 HydrophobicContact CD2-CD1 4.16Å; L305-L309 HydrophobicContact CD2-CD1 3.71Å; L305-L309 WeakPolarHBondContact O-CA 3.41Å; L305-L309 VanDerWaalsContact O-CB 3.32Å; L305-L309 WeakPolarHBondContact O-CB 3.07Å; L305-L309 PolarHBondContact O-N 3.03Å; L309-L311 HydrophobicContact CB-CD1 4.03Å; L309-L311 HydrophobicContact CB-CG 3.79Å; L309-L311 HydrophobicContact CD1-CD1 4.13Å; L309-L311 PolarHBondContact O-N 2.99Å
310H95.5Very high97.2Very high134 Ų13438.6 Ų38.662%0.6219%0.193SC*.  trans51.437.2-177.5-60.2-81.6000112.9M306 E348M306-H310 WeakPolarHBondContact O-CA 3.44Å; M306-H310 PolarHBondContact O-N 3.34Å; M306-H310 VanDerWaalsContact O-N 3.15Å; H310-E348 IonicContact CE1-OE1 2.6Å; H310-E348 IonicContact CG-OE1 2.71Å; H310-E348 IonicContact ND1-OE1 3.44Å; H310-E348 PolarHBondContact ND1-OE1 2.7Å
311L95.8Very high97Very high48 Ų4841.9 Ų41.925%0.25121%0.207SC..  trans-86.1145.8-179.4-66.4179.7000110.9L305 M306 L309 D315 A316 L319L305-L311 HydrophobicContact CB-CD1 4.44Å; M306-L311 WeakPolarHBondContact CA-O 3.27Å; M306-L311 PolarHBondContact O-N 2.98Å; L309-L311 HydrophobicContact CB-CD1 4.03Å; L309-L311 HydrophobicContact CB-CG 3.79Å; L309-L311 HydrophobicContact CD1-CD1 4.13Å; L309-L311 PolarHBondContact O-N 2.99Å; L311-D315 HydrophobicContact CB-CB 4.28Å; L311-D315 HydrophobicContact CD2-CB 4.28Å; L311-A316 HydrophobicContact CB-CB 4.03Å; L311-A316 HydrophobicContact CD1-CB 4.39Å; L311-L319 HydrophobicContact CD1-CD1 4.05Å
312S97.3Very high96.8Very high30 Ų3050.5 Ų50.521%0.2124%0.24CC..  trans-62159.1165.477.10000110.4N314 D315 A316 E341S312-N314 PolarHBondContact O-N 3.1Å; S312-D315 PolarHBondContact O-N 3.33Å; S312-D315 PolarHBondContact OG-N 3.36Å; S312-D315 VanDerWaalsContact OG-N 3.12Å; S312-D315 PolarHBondContact OG-OD2 3.38Å; S312-A316 WeakPolarHBondContact O-CB 3.41Å; S312-A316 PolarHBondContact O-N 2.88Å; S312-E341 WeakPolarHBondContact CA-OE1 3.46Å; S312-E341 VanDerWaalsContact CB-OE1 3.27Å; S312-E341 WeakPolarHBondContact CB-OE1 3.29Å
313L97.8Very high96.6Very high4 Ų455 Ų552%0.02126%0.26CS..Hα-helixtrans-54.3-44.6174.517156.3000111.3V302 M306 Y317 M334 L337 L338 E341V302-L313 HydrophobicContact CG1-CD1 3.66Å; M306-L313 HydrophobicContact CE-CB 4.21Å; M306-L313 HydrophobicContact SD-CB 4.19Å; M306-L313 HydrophobicContact SD-CD1 3.88Å; L313-Y317 WeakPolarHBondContact O-CB 3.38Å; L313-Y317 PolarHBondContact O-N 2.8Å; L313-M334 HydrophobicContact CD1-SD 4.31Å; L313-M334 HydrophobicContact CD2-SD 3.95Å; L313-M334 HydrophobicContact CG-SD 4.47Å; L313-L337 HydrophobicContact CD1-CB 3.68Å; L313-L337 HydrophobicContact CD1-CD1 3.89Å; L313-L337 HydrophobicContact CD1-CG 4.29Å; L313-L337 HydrophobicContact CD2-CB 4.04Å; L313-L337 HydrophobicContact CG-CB 4.5Å; L313-L338 HydrophobicContact CD2-CB 4.36Å; L313-L338 HydrophobicContact CD2-CD2 3.48Å; L313-L338 VanDerWaalsContact CD2-CD2 3.48Å; L313-L338 HydrophobicContact CD2-CG 3.53Å; L313-E341 PolarHBondContact N-OE1 3.07Å
314N94.3Very high96.3Very high117 Ų11755.6 Ų55.663%0.62626%0.262SS*.Hα-helixtrans-62.4-46.6-179.5-70.1-25.3000111.3S312 Y317 D318S312-N314 PolarHBondContact O-N 3.1Å; N314-Y317 PolarHBondContact O-N 3.46Å; N314-D318 VanDerWaalsContact O-CB 3.31Å; N314-D318 WeakPolarHBondContact O-CB 3.36Å; N314-D318 PolarHBondContact O-N 3.21Å
315D94.6Very high95.9Very high86 Ų8659.5 Ų59.546%0.4629%0.291SS..Hα-helixtrans-66.5-42.7-178.7-63.2-44.7000112.1L311 S312 D318 L319L311-D315 HydrophobicContact CB-CB 4.28Å; L311-D315 HydrophobicContact CD2-CB 4.28Å; S312-D315 PolarHBondContact O-N 3.33Å; S312-D315 PolarHBondContact OG-N 3.36Å; S312-D315 VanDerWaalsContact OG-N 3.12Å; S312-D315 PolarHBondContact OG-OD2 3.38Å; D315-D318 PolarHBondContact O-N 3.08Å; D315-L319 WeakPolarHBondContact O-CB 3.33Å; D315-L319 PolarHBondContact O-N 2.89Å
316A98.2Very high95.4Very high0 Ų063.5 Ų63.50%031%0.313CS..Hα-helixtrans-64-44.8176.400000111.4V302 L305 M306 L311 S312 L319 V320V302-A316 HydrophobicContact CG1-CB 3.95Å; L305-A316 HydrophobicContact CB-CB 3.9Å; M306-A316 HydrophobicContact CG-CB 3.66Å; L311-A316 HydrophobicContact CB-CB 4.03Å; L311-A316 HydrophobicContact CD1-CB 4.39Å; S312-A316 WeakPolarHBondContact O-CB 3.41Å; S312-A316 PolarHBondContact O-N 2.88Å; A316-L319 PolarHBondContact O-N 3.49Å; A316-V320 WeakPolarHBondContact O-CG2 3.33Å; A316-V320 PolarHBondContact O-N 3.16Å
317Y97.6Very high95.2Very high48 Ų4863.4 Ų63.419%0.18831%0.313CS..Hα-helixtrans-61.2-47.7176-175.7-87.6000111.6L313 N314 L319 V320 K321 I327 P329 M334L313-Y317 WeakPolarHBondContact O-CB 3.38Å; L313-Y317 PolarHBondContact O-N 2.8Å; N314-Y317 PolarHBondContact O-N 3.46Å; Y317-L319 VanDerWaalsContact C-N 3.32Å; Y317-L319 PolarHBondContact O-N 3.14Å; Y317-V320 PolarHBondContact O-N 3.1Å; Y317-K321 HydrophobicContact CD1-CB 4.46Å; Y317-K321 HydrophobicContact CE1-CB 4.32Å; Y317-K321 HydrophobicContact CE1-CD 4.3Å; Y317-K321 HydrophobicContact CE1-CG 4.44Å; Y317-K321 WeakPolarHBondContact O-CB 3.44Å; Y317-K321 PolarHBondContact O-N 3.3Å; Y317-I327 HydrophobicContact CD1-CD1 4.38Å; Y317-I327 HydrophobicContact CD2-CD1 4.08Å; Y317-I327 HydrophobicContact CE1-CD1 4.06Å; Y317-I327 HydrophobicContact CE1-CG1 4.5Å; Y317-I327 HydrophobicContact CE2-CD1 3.74Å; Y317-I327 HydrophobicContact CE2-CG1 4.31Å; Y317-I327 HydrophobicContact CG-CD1 4.39Å; Y317-I327 PolarHBondContact OH-O 3.15Å; Y317-P329 HydrophobicContact CE2-CG 4.05Å; Y317-M334 HydrophobicContact CD2-CE 3.82Å; Y317-M334 HydrophobicContact CE2-CE 3.64Å
318D95.9Very high94.8Very high75 Ų7562.3 Ų62.340%0.40131%0.311SS..Hα-helixtrans-66.1-34.7-179.1-77.5-15.8000112.1N314 D315 V320 K321 R322N314-D318 VanDerWaalsContact O-CB 3.31Å; N314-D318 WeakPolarHBondContact O-CB 3.36Å; N314-D318 PolarHBondContact O-N 3.21Å; D315-D318 PolarHBondContact O-N 3.08Å; D318-V320 VanDerWaalsContact C-N 3.35Å; D318-V320 PolarHBondContact O-N 2.97Å; D318-K321 PolarHBondContact O-N 3.48Å; D318-R322 WeakPolarHBondContact O-CB 3.42Å; D318-R322 VanDerWaalsContact O-CG 3.31Å; D318-R322 WeakPolarHBondContact O-CG 3.38Å; D318-R322 PolarHBondContact O-N 3.05Å; D318-R322 PolarHBondContact O-NH1 3.39Å
319L96.6Very high94.7Very high30 Ų3059 Ų5916%0.15730%0.298CS..Hα-helixtrans-57.4-49.2172.1-171.3163.1000110.9I207 L305 L311 D315 A316 Y317 K323I207-L319 HydrophobicContact CG2-CD2 3.85Å; L305-L319 HydrophobicContact CD1-CD2 4.03Å; L311-L319 HydrophobicContact CD1-CD1 4.05Å; D315-L319 WeakPolarHBondContact O-CB 3.33Å; D315-L319 PolarHBondContact O-N 2.89Å; A316-L319 PolarHBondContact O-N 3.49Å; Y317-L319 VanDerWaalsContact C-N 3.32Å; Y317-L319 PolarHBondContact O-N 3.14Å; L319-K323 HydrophobicContact CD2-CD 4.45Å
320V97.8Very high94.6Very high0 Ų056.6 Ų56.60%029%0.286CS..Hα-helixtrans-66.7-41.3177.1-175.30000110.6I207 L213 V298 T301 V302 L305 A316 Y317 D318 R322 K323 K324 I327I207-V320 HydrophobicContact CD1-CG1 4.01Å; I207-V320 HydrophobicContact CG2-CG2 4.17Å; L213-V320 HydrophobicContact CD2-CG1 3.74Å; V298-V320 HydrophobicContact CG1-CG1 4.46Å; T301-V320 HydrophobicContact CG2-CG2 4.15Å; V302-V320 HydrophobicContact CG2-CG2 3.97Å; L305-V320 HydrophobicContact CD1-CG2 3.52Å; A316-V320 WeakPolarHBondContact O-CG2 3.33Å; A316-V320 PolarHBondContact O-N 3.16Å; Y317-V320 PolarHBondContact O-N 3.1Å; D318-V320 VanDerWaalsContact C-N 3.35Å; D318-V320 PolarHBondContact O-N 2.97Å; V320-R322 PolarHBondContact O-N 3.29Å; V320-K323 PolarHBondContact O-N 3.33Å; V320-K323 VanDerWaalsContact O-N 3.14Å; V320-K324 PolarHBondContact O-N 3.28Å; V320-I327 HydrophobicContact CB-CD1 3.92Å; V320-I327 HydrophobicContact CG1-CD1 3.88Å; V320-I327 HydrophobicContact CG1-CG2 3.86Å
321K93.9Very high94Very high69 Ų6957.6 Ų57.630%0.329%0.289SS..Hα-helixtrans-61.3-41.2-179.1-169.266.2165.2-175.20112.8Y317 D318 K323 K324 S325 I327Y317-K321 HydrophobicContact CD1-CB 4.46Å; Y317-K321 HydrophobicContact CE1-CB 4.32Å; Y317-K321 HydrophobicContact CE1-CD 4.3Å; Y317-K321 HydrophobicContact CE1-CG 4.44Å; Y317-K321 WeakPolarHBondContact O-CB 3.44Å; Y317-K321 PolarHBondContact O-N 3.3Å; D318-K321 PolarHBondContact O-N 3.48Å; K321-K323 PolarHBondContact O-N 3.07Å; K321-K324 CarbonylContact O-C 3.49Å; K321-K324 PolarHBondContact O-N 2.65Å; K321-S325 WeakPolarHBondContact CE-O 3.21Å; K321-S325 PolarHBondContact NZ-O 3.27Å; K321-S325 WeakPolarHBondContact O-CA 3.44Å; K321-S325 PolarHBondContact O-N 2.71Å; K321-I327 HydrophobicContact CB-CD1 3.91Å; K321-I327 HydrophobicContact CB-CG1 4.23Å; K321-I327 HydrophobicContact CD-CD1 4.04Å; K321-I327 HydrophobicContact CD-CG1 3.43Å; K321-I327 VanDerWaalsContact CD-CG1 3.43Å; K321-I327 HydrophobicContact CG-CG1 4.45Å; K321-I327 PolarHBondContact NZ-O 3.29Å
322R94.9Very high93.9Very high181 Ų18157.6 Ų57.668%0.68329%0.289SS*.Hα-helixtrans-61.7-33.2176.9-75.5-171.9-59.3-89.85.8112.3D318 V320D318-R322 WeakPolarHBondContact O-CB 3.42Å; D318-R322 VanDerWaalsContact O-CG 3.31Å; D318-R322 WeakPolarHBondContact O-CG 3.38Å; D318-R322 PolarHBondContact O-N 3.05Å; D318-R322 PolarHBondContact O-NH1 3.39Å; V320-R322 PolarHBondContact O-N 3.29Å
323K94.5Very high93.9Very high95 Ų9556.1 Ų56.141%0.41328%0.279SS..Hα-helixtrans-87.3-31.1178.7-66.2-173.1159.3-153.70113V205 Q206 I207 L319 V320 K321V205-K323 HydrophobicContact CG1-CB 3.91Å; Q206-K323 VanDerWaalsContact O-CD 3.31Å; Q206-K323 WeakPolarHBondContact O-CD 3.41Å; Q206-K323 PolarHBondContact O-NZ 2.99Å; I207-K323 HydrophobicContact CD1-CB 4.14Å; I207-K323 HydrophobicContact CD1-CD 4.26Å; I207-K323 WeakPolarHBondContact O-CE 3.4Å; I207-K323 PolarHBondContact O-NZ 2.89Å; L319-K323 HydrophobicContact CD2-CD 4.45Å; V320-K323 PolarHBondContact O-N 3.33Å; V320-K323 VanDerWaalsContact O-N 3.14Å; K321-K323 PolarHBondContact O-N 3.07Å
324K92.1Very high93.8Very high12 Ų1258.1 Ų58.15%0.05229%0.288CS..  trans-138.497.2179.9-176.1170.7171.458.10110.2V205 L213 G293 V320 K321 N326 I327V205-K324 HydrophobicContact CG1-CB 4.47Å; V205-K324 HydrophobicContact CG2-CB 4.41Å; V205-K324 HydrophobicContact CG2-CD 4.31Å; L213-K324 HydrophobicContact CD2-CD 3.87Å; L213-K324 HydrophobicContact CG-CD 4.38Å; G293-K324 WeakPolarHBondContact O-CE 3.12Å; V320-K324 PolarHBondContact O-N 3.28Å; K321-K324 CarbonylContact O-C 3.49Å; K321-K324 PolarHBondContact O-N 2.65Å; K324-N326 VanDerWaalsContact C-N 3.25Å; K324-N326 VanDerWaalsContact CE-OD1 3.32Å; K324-N326 WeakPolarHBondContact CE-OD1 3.44Å; K324-N326 WeakPolarHBondContact CG-OD1 3.17Å; K324-N326 PolarHBondContact NZ-OD1 2.99Å; K324-N326 PolarHBondContact O-N 2.97Å; K324-I327 HydrophobicContact CB-CG2 3.99Å; K324-I327 HydrophobicContact CD-CG2 3.96Å; K324-I327 HydrophobicContact CG-CG2 3.83Å; K324-I327 WeakPolarHBondContact O-CG2 3.38Å; K324-I327 PolarHBondContact O-N 2.85Å
325S90.8Very high93.5Very high96 Ų9653.8 Ų53.867%0.67127%0.271SS*.THydrogen-bonded Turntrans-66.4-22-172.760.60000114.5K321K321-S325 WeakPolarHBondContact CE-O 3.21Å; K321-S325 PolarHBondContact NZ-O 3.27Å; K321-S325 WeakPolarHBondContact O-CA 3.44Å; K321-S325 PolarHBondContact O-N 2.71Å
326N87Confident93.7Very high84 Ų8450.4 Ų50.445%0.44925%0.253SS..THydrogen-bonded Turntrans-93.414.6-177.476.1-31.9000114.5K324K324-N326 VanDerWaalsContact C-N 3.25Å; K324-N326 VanDerWaalsContact CE-OD1 3.32Å; K324-N326 WeakPolarHBondContact CE-OD1 3.44Å; K324-N326 WeakPolarHBondContact CG-OD1 3.17Å; K324-N326 PolarHBondContact NZ-OD1 2.99Å; K324-N326 PolarHBondContact O-N 2.97Å
327I94.8Very high93.7Very high1 Ų150.4 Ų50.41%0.00525%0.253CS..  trans-64.9141.3172.866.5166.6000111.6L213 V298 Y317 V320 K321 K324L213-I327 HydrophobicContact CD2-CG2 4.46Å; V298-I327 HydrophobicContact CB-CG2 4.44Å; V298-I327 HydrophobicContact CG1-CB 3.92Å; V298-I327 HydrophobicContact CG1-CD1 4.02Å; V298-I327 HydrophobicContact CG1-CG2 4.05Å; V298-I327 HydrophobicContact CG2-CB 3.9Å; V298-I327 HydrophobicContact CG2-CG2 3.47Å; V298-I327 VanDerWaalsContact CG2-CG2 3.47Å; Y317-I327 HydrophobicContact CD1-CD1 4.38Å; Y317-I327 HydrophobicContact CD2-CD1 4.08Å; Y317-I327 HydrophobicContact CE1-CD1 4.06Å; Y317-I327 HydrophobicContact CE1-CG1 4.5Å; Y317-I327 HydrophobicContact CE2-CD1 3.74Å; Y317-I327 HydrophobicContact CE2-CG1 4.31Å; Y317-I327 HydrophobicContact CG-CD1 4.39Å; Y317-I327 PolarHBondContact OH-O 3.15Å; V320-I327 HydrophobicContact CB-CD1 3.92Å; V320-I327 HydrophobicContact CG1-CD1 3.88Å; V320-I327 HydrophobicContact CG1-CG2 3.86Å; K321-I327 HydrophobicContact CB-CD1 3.91Å; K321-I327 HydrophobicContact CB-CG1 4.23Å; K321-I327 HydrophobicContact CD-CD1 4.04Å; K321-I327 HydrophobicContact CD-CG1 3.43Å; K321-I327 VanDerWaalsContact CD-CG1 3.43Å; K321-I327 HydrophobicContact CG-CG1 4.45Å; K321-I327 PolarHBondContact NZ-O 3.29Å; K324-I327 HydrophobicContact CB-CG2 3.99Å; K324-I327 HydrophobicContact CD-CG2 3.96Å; K324-I327 HydrophobicContact CG-CG2 3.83Å; K324-I327 WeakPolarHBondContact O-CG2 3.38Å; K324-I327 PolarHBondContact O-N 2.85Å
328S90.5Very high93.6Very high36 Ų3651.7 Ų51.725%0.25226%0.262SS..  trans-163.677.1178.6-174.20000110.4V294V294-S328 CarbonylContact O-C 3.56Å; V294-S328 VanDerWaalsContact O-C 3.26Å; V294-S328 PolarHBondContact O-N 3.29Å
329P94.1Very high93.6Very high10 Ų1052.1 Ų52.17%0.06526%0.264CS..  trans-48.9141.9164.3-24.936.1000111.5V298 Y317 M334V298-P329 HydrophobicContact CB-CG 4.23Å; V298-P329 HydrophobicContact CG1-CG 3.66Å; Y317-P329 HydrophobicContact CE2-CG 4.05Å; P329-M334 HydrophobicContact CB-CE 4.21Å; P329-M334 HydrophobicContact CG-CE 4.18Å
330N92Very high93.7Very high33 Ų3351.9 Ų51.918%0.17626%0.262CS..  trans-64.2158.3172.278.153.9000110.7D259 S295 N332 F333 M334D259-N330 PolarHBondContact OD1-ND2 3.25Å; S295-N330 PolarHBondContact OG-N 3.04Å; S295-N330 VanDerWaalsContact OG-N 3.08Å; N330-N332 VanDerWaalsContact C-N 3.27Å; N330-N332 PolarHBondContact O-N 2.71Å; N330-N332 WeakPolarHBondContact OD1-CA 3.34Å; N330-N332 WeakPolarHBondContact OD1-CB 3.41Å; N330-N332 PolarHBondContact OD1-N 2.89Å; N330-F333 WeakPolarHBondContact ND2-CD2 3.39Å; N330-F333 WeakPolarHBondContact ND2-CE2 3.06Å; N330-F333 PolarHBondContact O-N 3.4Å; N330-F333 VanDerWaalsContact O-N 3.17Å; N330-F333 PolarHBondContact OD1-N 2.63Å; N330-M334 PolarHBondContact O-N 3.5Å
331F84.1Confident93.7Very high155 Ų15553 Ų5368%0.6827%0.268SS*.Hα-helixtrans-61.6-32.4-174.4-67.4-68.9000114.1M334 G335F331-M334 PolarHBondContact O-N 3.19Å; F331-G335 PolarHBondContact O-N 3.34Å
332N92.2Very high93.8Very high47 Ų4756.1 Ų56.125%0.25128%0.277SS..Hα-helixtrans-67.6-44.1176.8165.959.5000110.9W261 Q263 N330 M334 G335 Q336W261-N332 HydrophobicContact CB-CB 4.47Å; W261-N332 WeakPolarHBondContact O-CB 3.35Å; W261-N332 PolarHBondContact O-ND2 3.03Å; W261-N332 VanDerWaalsContact O-ND2 3.16Å; W261-N332 PolarHBondContact O-OD1 3.04Å; Q263-N332 PolarHBondContact O-ND2 3.3Å; N330-N332 VanDerWaalsContact C-N 3.27Å; N330-N332 PolarHBondContact O-N 2.71Å; N330-N332 WeakPolarHBondContact OD1-CA 3.34Å; N330-N332 WeakPolarHBondContact OD1-CB 3.41Å; N330-N332 PolarHBondContact OD1-N 2.89Å; N332-M334 VanDerWaalsContact C-N 3.32Å; N332-M334 PolarHBondContact O-N 3.41Å; N332-G335 PolarHBondContact O-N 3.42Å; N332-G335 VanDerWaalsContact O-N 3.16Å; N332-Q336 PolarHBondContact ND2-NE2 2.94Å; N332-Q336 WeakPolarHBondContact O-CG 3.42Å; N332-Q336 PolarHBondContact O-N 2.9Å; N332-Q336 PolarHBondContact OD1-NE2 3.17Å; N332-Q336 VanDerWaalsContact OD1-NE2 3.12Å
333F97.4Very high93.9Very high0 Ų050 Ų500%026%0.262CS..Hα-helixtrans-66.1-33.8174.2-67-16.7000112.8I257 D259 Q263 L265 R296 T299 N330 G335 Q336 L337I257-F333 HydrophobicContact CD1-CE1 4.41Å; I257-F333 HydrophobicContact CD1-CZ 4.43Å; D259-F333 WeakPolarHBondContact OD1-CE2 3.35Å; Q263-F333 HydrophobicContact CB-CE1 4.1Å; Q263-F333 HydrophobicContact CB-CZ 4.27Å; L265-F333 HydrophobicContact CB-CD1 3.84Å; L265-F333 HydrophobicContact CB-CE1 3.62Å; L265-F333 HydrophobicContact CB-CZ 4.17Å; L265-F333 HydrophobicContact CD2-CD1 4.36Å; L265-F333 HydrophobicContact CD2-CD2 4.14Å; L265-F333 HydrophobicContact CD2-CE1 4.29Å; L265-F333 HydrophobicContact CD2-CE2 4.09Å; L265-F333 HydrophobicContact CD2-CG 4.3Å; L265-F333 HydrophobicContact CD2-CZ 4.17Å; R296-F333 HydrophobicContact CB-CE2 4.5Å; R296-F333 HydrophobicContact CG-CD2 4.44Å; R296-F333 HydrophobicContact CG-CE2 3.53Å; R296-F333 HydrophobicContact CG-CZ 4.18Å; T299-F333 HydrophobicContact CG2-CB 3.8Å; T299-F333 HydrophobicContact CG2-CG 4.31Å; N330-F333 WeakPolarHBondContact ND2-CD2 3.39Å; N330-F333 WeakPolarHBondContact ND2-CE2 3.06Å; N330-F333 PolarHBondContact O-N 3.4Å; N330-F333 VanDerWaalsContact O-N 3.17Å; N330-F333 PolarHBondContact OD1-N 2.63Å; F333-G335 VanDerWaalsContact C-N 3.35Å; F333-Q336 PolarHBondContact O-N 3.47Å; F333-L337 WeakPolarHBondContact O-CG 3.33Å; F333-L337 PolarHBondContact O-N 2.81Å
334M96.9Very high93.9Very high46 Ų4646.2 Ų46.223%0.22725%0.247CC..Hα-helixtrans-62.8-41.9170.7-169.859.365.200111.9L313 Y317 P329 N330 F331 N332 L337 L338L313-M334 HydrophobicContact CD1-SD 4.31Å; L313-M334 HydrophobicContact CD2-SD 3.95Å; L313-M334 HydrophobicContact CG-SD 4.47Å; Y317-M334 HydrophobicContact CD2-CE 3.82Å; Y317-M334 HydrophobicContact CE2-CE 3.64Å; P329-M334 HydrophobicContact CB-CE 4.21Å; P329-M334 HydrophobicContact CG-CE 4.18Å; N330-M334 PolarHBondContact O-N 3.5Å; F331-M334 PolarHBondContact O-N 3.19Å; N332-M334 VanDerWaalsContact C-N 3.32Å; N332-M334 PolarHBondContact O-N 3.41Å; M334-L337 PolarHBondContact O-N 3.22Å; M334-L338 PolarHBondContact O-N 2.91Å
335G88.4Confident93.8Very high25 Ų2551.7 Ų51.726%0.25827%0.267SS..Hα-helixtrans-59.7-44.2172.600000112.4F331 N332 F333 L337 L338 D339F331-G335 PolarHBondContact O-N 3.34Å; N332-G335 PolarHBondContact O-N 3.42Å; N332-G335 VanDerWaalsContact O-N 3.16Å; F333-G335 VanDerWaalsContact C-N 3.35Å; G335-L337 VanDerWaalsContact C-N 3.33Å; G335-L337 PolarHBondContact O-N 3.16Å; G335-L338 WeakPolarHBondContact O-CB 3.35Å; G335-L338 PolarHBondContact O-N 3.34Å; G335-L338 VanDerWaalsContact O-N 3.16Å; G335-D339 VanDerWaalsContact O-CG 3.26Å; G335-D339 PolarHBondContact O-N 3.49Å
336Q97.4Very high93.7Very high16 Ų1651.6 Ų51.68%0.07526%0.258CS..Hα-helixtrans-63.8-35.8176.7-74.3174.83700113.3Q263 N264 N332 F333 D339 F340Q263-Q336 PolarHBondContact O-NE2 3Å; N264-Q336 PolarHBondContact OD1-OE1 3.15Å; N332-Q336 PolarHBondContact ND2-NE2 2.94Å; N332-Q336 WeakPolarHBondContact O-CG 3.42Å; N332-Q336 PolarHBondContact O-N 2.9Å; N332-Q336 PolarHBondContact OD1-NE2 3.17Å; N332-Q336 VanDerWaalsContact OD1-NE2 3.12Å; F333-Q336 PolarHBondContact O-N 3.47Å; Q336-D339 PolarHBondContact O-N 3.3Å; Q336-F340 WeakPolarHBondContact O-CB 3.36Å; Q336-F340 PolarHBondContact O-N 3.48Å
337L98.3Very high93.8Very high0 Ų053 Ų530%026%0.262CS..Hα-helixtrans-67-39.5172.4-74.5170.8000112.2F269 T299 V302 A303 M306 L313 F333 M334 G335 D339 F340 E341F269-L337 HydrophobicContact CE2-CD2 4.04Å; F269-L337 HydrophobicContact CZ-CD2 3.82Å; F269-L337 HydrophobicContact CZ-CG 4.42Å; T299-L337 HydrophobicContact CG2-CD1 3.87Å; T299-L337 HydrophobicContact CG2-CD2 4.09Å; T299-L337 HydrophobicContact CG2-CG 3.83Å; V302-L337 HydrophobicContact CB-CD1 4.2Å; V302-L337 HydrophobicContact CB-CD2 4.44Å; V302-L337 HydrophobicContact CG1-CD1 3.9Å; V302-L337 HydrophobicContact CG1-CD2 4.14Å; A303-L337 HydrophobicContact CB-CD2 3.83Å; M306-L337 HydrophobicContact SD-CD2 4.06Å; L313-L337 HydrophobicContact CD1-CB 3.68Å; L313-L337 HydrophobicContact CD1-CD1 3.89Å; L313-L337 HydrophobicContact CD1-CG 4.29Å; L313-L337 HydrophobicContact CD2-CB 4.04Å; L313-L337 HydrophobicContact CG-CB 4.5Å; F333-L337 WeakPolarHBondContact O-CG 3.33Å; F333-L337 PolarHBondContact O-N 2.81Å; M334-L337 PolarHBondContact O-N 3.22Å; G335-L337 VanDerWaalsContact C-N 3.33Å; G335-L337 PolarHBondContact O-N 3.16Å; L337-D339 VanDerWaalsContact C-N 3.28Å; L337-D339 PolarHBondContact O-N 2.83Å; L337-F340 PolarHBondContact O-N 2.6Å; L337-E341 PolarHBondContact O-N 3.09Å
338L95.9Very high93.4Very high75 Ų7556.4 Ų56.439%0.39328%0.278SS..Hα-helixtrans-61.7-38.7173.2-75.3165.8000111.6L313 M334 G335 R342L313-L338 HydrophobicContact CD2-CB 4.36Å; L313-L338 HydrophobicContact CD2-CD2 3.48Å; L313-L338 VanDerWaalsContact CD2-CD2 3.48Å; L313-L338 HydrophobicContact CD2-CG 3.53Å; M334-L338 PolarHBondContact O-N 2.91Å; G335-L338 WeakPolarHBondContact O-CB 3.35Å; G335-L338 PolarHBondContact O-N 3.34Å; G335-L338 VanDerWaalsContact O-N 3.16Å; L338-R342 VanDerWaalsContact C-NH1 3.31Å; L338-R342 WeakPolarHBondContact O-CG 3.39Å; L338-R342 PolarHBondContact O-N 3.09Å; L338-R342 PolarHBondContact O-NH1 3.19Å
339D96.5Very high93.3Very high83 Ų8361.1 Ų61.144%0.44429%0.29SS..Hα-helixtrans-68.5-41.6177.2-65-2.5000111G335 Q336 L337 R342 S343G335-D339 VanDerWaalsContact O-CG 3.26Å; G335-D339 PolarHBondContact O-N 3.49Å; Q336-D339 PolarHBondContact O-N 3.3Å; L337-D339 VanDerWaalsContact C-N 3.28Å; L337-D339 PolarHBondContact O-N 2.83Å; D339-R342 VanDerWaalsContact CG-NH2 3.33Å; D339-R342 WeakPolarHBondContact O-CB 3.46Å; D339-R342 PolarHBondContact O-N 3.4Å; D339-R342 IonicContact OD1-CZ 2.66Å; D339-R342 IonicContact OD1-NH1 3.51Å; D339-R342 PolarHBondContact OD1-NH1 2.83Å; D339-R342 IonicContact OD1-NH2 2.8Å; D339-R342 PolarHBondContact OD1-NH2 3.46Å; D339-S343 PolarHBondContact O-N 3.3Å; D339-S343 VanDerWaalsContact O-N 3.08Å
340F98.3Very high93Very high25 Ų2569 Ų6911%0.1132%0.319CS..Hα-helixtrans-63.6-39.4175.3-173.8-120.1000112.8F269 I273 A303 M306 Q307 Q336 L337 R342 S343 L344F269-F340 HydrophobicContact CB-CE2 4.37Å; F269-F340 HydrophobicContact CB-CZ 4.38Å; F269-F340 HydrophobicContact CD2-CB 4.12Å; F269-F340 AromaticContact CD2-CD1 3.85Å; F269-F340 HydrophobicContact CD2-CD1 3.85Å; F269-F340 AromaticContact CD2-CD2 3.77Å; F269-F340 HydrophobicContact CD2-CD2 3.77Å; F269-F340 HydrophobicContact CD2-CE1 4.15Å; F269-F340 HydrophobicContact CD2-CE2 4.09Å; F269-F340 AromaticContact CD2-CG 3.64Å; F269-F340 HydrophobicContact CD2-CG 3.64Å; F269-F340 HydrophobicContact CD2-CZ 4.26Å; F269-F340 HydrophobicContact CE2-CB 3.91Å; F269-F340 HydrophobicContact CE2-CD1 4.09Å; F269-F340 HydrophobicContact CE2-CD2 4.43Å; F269-F340 AromaticContact CE2-CG 3.9Å; F269-F340 HydrophobicContact CE2-CG 3.9Å; I273-F340 HydrophobicContact CD1-CE1 4.44Å; I273-F340 HydrophobicContact CD1-CZ 4.11Å; A303-F340 HydrophobicContact CB-CD1 4.14Å; A303-F340 HydrophobicContact CB-CE1 3.96Å; M306-F340 HydrophobicContact CE-CD1 4.02Å; Q307-F340 HydrophobicContact CB-CE1 4.33Å; Q307-F340 HydrophobicContact CB-CZ 4.23Å; Q336-F340 WeakPolarHBondContact O-CB 3.36Å; Q336-F340 PolarHBondContact O-N 3.48Å; L337-F340 PolarHBondContact O-N 2.6Å; F340-R342 VanDerWaalsContact C-N 3.26Å; F340-R342 PolarHBondContact O-N 3.48Å; F340-S343 WeakPolarHBondContact CA-OG 3.19Å; F340-S343 PolarHBondContact O-N 3.15Å; F340-S343 PolarHBondContact O-OG 3.37Å; F340-L344 HydrophobicContact CD1-CD1 3.97Å; F340-L344 HydrophobicContact CD1-CG 4.44Å; F340-L344 HydrophobicContact CE1-CD1 3.62Å; F340-L344 HydrophobicContact CE1-CD2 4.41Å; F340-L344 HydrophobicContact CE1-CG 4.14Å; F340-L344 HydrophobicContact CE2-CD2 4.19Å; F340-L344 HydrophobicContact CE2-CG 4.29Å; F340-L344 HydrophobicContact CZ-CD1 4Å; F340-L344 HydrophobicContact CZ-CD2 3.91Å; F340-L344 HydrophobicContact CZ-CG 4.07Å; F340-L344 WeakPolarHBondContact O-CG 3.43Å; F340-L344 PolarHBondContact O-N 2.96Å
341E97.9Very high92.7Very high25 Ų2571 Ų7112%0.11734%0.336CS..Hα-helixtrans-58-41.8173.2-168.4-179-150.200111.5M306 S312 L313 L337 L344 R345M306-E341 HydrophobicContact CE-CB 3.48Å; M306-E341 VanDerWaalsContact CE-CB 3.48Å; M306-E341 HydrophobicContact CE-CG 4.02Å; S312-E341 WeakPolarHBondContact CA-OE1 3.46Å; S312-E341 VanDerWaalsContact CB-OE1 3.27Å; S312-E341 WeakPolarHBondContact CB-OE1 3.29Å; L313-E341 PolarHBondContact N-OE1 3.07Å; L337-E341 PolarHBondContact O-N 3.09Å; E341-L344 PolarHBondContact O-N 2.82Å; E341-R345 WeakPolarHBondContact O-CG 3.44Å; E341-R345 PolarHBondContact O-N 3.28Å; E341-R345 VanDerWaalsContact O-N 3.17Å; E341-R345 IonicContact OE1-CZ 3.85Å; E341-R345 IonicContact OE1-NH2 2.84Å; E341-R345 PolarHBondContact OE1-NH2 3.02Å; E341-R345 IonicContact OE2-NH2 3.73Å
342R95.8Very high92.5Very high133 Ų13370.2 Ų70.250%0.50233%0.334SS..Hα-helixtrans-67.1-37.9178.3-65.2-168.6-52.4-85.713.3111.9L338 D339 F340 L346L338-R342 VanDerWaalsContact C-NH1 3.31Å; L338-R342 WeakPolarHBondContact O-CG 3.39Å; L338-R342 PolarHBondContact O-N 3.09Å; L338-R342 PolarHBondContact O-NH1 3.19Å; D339-R342 VanDerWaalsContact CG-NH2 3.33Å; D339-R342 WeakPolarHBondContact O-CB 3.46Å; D339-R342 PolarHBondContact O-N 3.4Å; D339-R342 IonicContact OD1-CZ 2.66Å; D339-R342 IonicContact OD1-NH1 3.51Å; D339-R342 PolarHBondContact OD1-NH1 2.83Å; D339-R342 IonicContact OD1-NH2 2.8Å; D339-R342 PolarHBondContact OD1-NH2 3.46Å; F340-R342 VanDerWaalsContact C-N 3.26Å; F340-R342 PolarHBondContact O-N 3.48Å; R342-L346 WeakPolarHBondContact O-CG 3.26Å; R342-L346 PolarHBondContact O-N 3.49Å
343S96.3Very high91.9Very high52 Ų5274.7 Ų74.736%0.36435%0.354SS..Hα-helixtrans-67-41.9176.4610000112.1D339 F340 R345 L346 E347D339-S343 PolarHBondContact O-N 3.3Å; D339-S343 VanDerWaalsContact O-N 3.08Å; F340-S343 WeakPolarHBondContact CA-OG 3.19Å; F340-S343 PolarHBondContact O-N 3.15Å; F340-S343 PolarHBondContact O-OG 3.37Å; S343-R345 PolarHBondContact O-N 3.34Å; S343-L346 WeakPolarHBondContact O-CB 3.21Å; S343-L346 PolarHBondContact O-N 2.8Å; S343-L346 VanDerWaalsContact O-N 3.12Å; S343-E347 PolarHBondContact O-N 3.45Å
344L94.9Very high90.4Very high17 Ų1782.5 Ų82.59%0.08939%0.39CS..Hα-helixtrans-59.8-44.9176.9-69.2176.1000111.7M306 Q307 F340 E341 L346 E347 E348M306-L344 HydrophobicContact CB-CD1 4.01Å; M306-L344 HydrophobicContact CE-CD1 4.47Å; Q307-L344 HydrophobicContact CB-CD1 4.2Å; Q307-L344 HydrophobicContact CB-CD2 4.17Å; Q307-L344 HydrophobicContact CG-CD2 3.91Å; F340-L344 HydrophobicContact CD1-CD1 3.97Å; F340-L344 HydrophobicContact CD1-CG 4.44Å; F340-L344 HydrophobicContact CE1-CD1 3.62Å; F340-L344 HydrophobicContact CE1-CD2 4.41Å; F340-L344 HydrophobicContact CE1-CG 4.14Å; F340-L344 HydrophobicContact CE2-CD2 4.19Å; F340-L344 HydrophobicContact CE2-CG 4.29Å; F340-L344 HydrophobicContact CZ-CD1 4Å; F340-L344 HydrophobicContact CZ-CD2 3.91Å; F340-L344 HydrophobicContact CZ-CG 4.07Å; F340-L344 WeakPolarHBondContact O-CG 3.43Å; F340-L344 PolarHBondContact O-N 2.96Å; E341-L344 PolarHBondContact O-N 2.82Å; L344-L346 VanDerWaalsContact C-N 3.26Å; L344-L346 PolarHBondContact O-N 3.42Å; L344-E347 PolarHBondContact O-N 2.68Å; L344-E347 VanDerWaalsContact O-N 3.15Å; L344-E348 WeakPolarHBondContact O-CG 3.03Å; L344-E348 PolarHBondContact O-N 2.76Å
345R91.4Very high88.6Confident126 Ų12683.8 Ų83.848%0.47542%0.415SS..Hα-helixtrans-64.9-26.3176.4-68.4-179.6-171.5171.57.4114E341 S343 R349E341-R345 WeakPolarHBondContact O-CG 3.44Å; E341-R345 PolarHBondContact O-N 3.28Å; E341-R345 VanDerWaalsContact O-N 3.17Å; E341-R345 IonicContact OE1-CZ 3.85Å; E341-R345 IonicContact OE1-NH2 2.84Å; E341-R345 PolarHBondContact OE1-NH2 3.02Å; E341-R345 IonicContact OE2-NH2 3.73Å; S343-R345 PolarHBondContact O-N 3.34Å; R345-R349 WeakPolarHBondContact O-CG 3.39Å; R345-R349 PolarHBondContact O-N 3.24Å; R345-R349 PolarHBondContact O-NE 3.05Å
346L88.6Confident87.1Confident94 Ų9486.9 Ų86.949%0.49243%0.433SS..Hα-helixtrans-75.8-40.1173.7-76.8165.3000110.8R342 S343 L344 R349 R350R342-L346 WeakPolarHBondContact O-CG 3.26Å; R342-L346 PolarHBondContact O-N 3.49Å; S343-L346 WeakPolarHBondContact O-CB 3.21Å; S343-L346 PolarHBondContact O-N 2.8Å; S343-L346 VanDerWaalsContact O-N 3.12Å; L344-L346 VanDerWaalsContact C-N 3.26Å; L344-L346 PolarHBondContact O-N 3.42Å; L346-R349 PolarHBondContact O-N 3.09Å; L346-R350 WeakPolarHBondContact O-CG 3.31Å; L346-R350 PolarHBondContact O-N 3Å; L346-R350 VanDerWaalsContact O-N 3.1Å
347E87.2Confident84.9Confident113 Ų11390 Ų9053%0.52847%0.468SS..Hα-helixtrans-65.5-45.3177.1-169.4158.4-146.600111.6S343 L344 R349 R350 S351S343-E347 PolarHBondContact O-N 3.45Å; L344-E347 PolarHBondContact O-N 2.68Å; L344-E347 VanDerWaalsContact O-N 3.15Å; E347-R349 VanDerWaalsContact C-N 3.34Å; E347-R349 PolarHBondContact O-N 2.74Å; E347-R350 WeakPolarHBondContact O-CB 3.43Å; E347-R350 PolarHBondContact O-N 3.15Å; E347-R350 VanDerWaalsContact O-N 3.15Å; E347-S351 PolarHBondContact O-N 3.28Å; E347-S351 PolarHBondContact O-OG 2.78Å
348E87.3Confident82.7Confident74 Ų7492.9 Ų92.935%0.34650%0.499SS..Hα-helixtrans-57.4-43.8175.3-73.2172.5167.400112.5H310 L344 S351 Q352H310-E348 IonicContact CE1-OE1 2.6Å; H310-E348 IonicContact CG-OE1 2.71Å; H310-E348 IonicContact ND1-OE1 3.44Å; H310-E348 PolarHBondContact ND1-OE1 2.7Å; L344-E348 WeakPolarHBondContact O-CG 3.03Å; L344-E348 PolarHBondContact O-N 2.76Å; E348-S351 PolarHBondContact O-N 3.31Å; E348-Q352 VanDerWaalsContact O-CG 3.31Å; E348-Q352 WeakPolarHBondContact O-CG 3.35Å; E348-Q352 PolarHBondContact O-N 2.85Å
349R87.4Confident80.1Confident135 Ų13598.2 Ų98.251%0.50952%0.521SS..Hα-helixtrans-63.2-43.3176.2-78.3-175.9-74.4174.1-4.3112R345 L346 E347 S351 Q352 E353R345-R349 WeakPolarHBondContact O-CG 3.39Å; R345-R349 PolarHBondContact O-N 3.24Å; R345-R349 PolarHBondContact O-NE 3.05Å; L346-R349 PolarHBondContact O-N 3.09Å; E347-R349 VanDerWaalsContact C-N 3.34Å; E347-R349 PolarHBondContact O-N 2.74Å; R349-S351 PolarHBondContact O-N 2.9Å; R349-Q352 PolarHBondContact O-N 2.83Å; R349-E353 WeakPolarHBondContact O-CG 3.49Å; R349-E353 PolarHBondContact O-N 3.34Å
350R88.8Confident77.9Confident174 Ų17499.5 Ų99.566%0.65754%0.544SS*.Hα-helixtrans-63-41176.6-76.9176.1140.9-168.2-5.9112.3L346 E347 Q352 E353 Q354L346-R350 WeakPolarHBondContact O-CG 3.31Å; L346-R350 PolarHBondContact O-N 3Å; L346-R350 VanDerWaalsContact O-N 3.1Å; E347-R350 WeakPolarHBondContact O-CB 3.43Å; E347-R350 PolarHBondContact O-N 3.15Å; E347-R350 VanDerWaalsContact O-N 3.15Å; R350-Q352 VanDerWaalsContact C-N 3.33Å; R350-E353 PolarHBondContact O-N 3.37Å; R350-Q354 WeakPolarHBondContact O-CB 3.35Å; R350-Q354 WeakPolarHBondContact O-CG 3.38Å; R350-Q354 PolarHBondContact O-N 3.45Å
351S85.9Confident75.1Confident76 Ų76103.3 Ų103.353%0.53157%0.574SS.*Hα-helixtrans-65.6-35.5176.2-60.30000112.2E347 E348 R349 G355E347-S351 PolarHBondContact O-N 3.28Å; E347-S351 PolarHBondContact O-OG 2.78Å; E348-S351 PolarHBondContact O-N 3.31Å; R349-S351 PolarHBondContact O-N 2.9Å; S351-G355 PolarHBondContact O-N 3.47Å
352Q79.9Confident72.8Confident139 Ų139111.8 Ų111.865%0.6562%0.616SS**Hα-helixtrans-69.8-41.5174.8-72.2172.9400112.5E348 R349 R350 G355 S356E348-Q352 VanDerWaalsContact O-CG 3.31Å; E348-Q352 WeakPolarHBondContact O-CG 3.35Å; E348-Q352 PolarHBondContact O-N 2.85Å; R349-Q352 PolarHBondContact O-N 2.83Å; R350-Q352 VanDerWaalsContact C-N 3.33Å; Q352-G355 PolarHBondContact O-N 3.5Å; Q352-S356 PolarHBondContact O-N 2.86Å
353E78.9Confident70.2Confident141 Ų141109.8 Ų109.866%0.65963%0.627SS**Hα-helixtrans-66-37.6176.8-72.9170.1-175.100112.2R349 R350R349-E353 WeakPolarHBondContact O-CG 3.49Å; R349-E353 PolarHBondContact O-N 3.34Å; R350-E353 PolarHBondContact O-N 3.37Å
354Q66.5Low67.4Low164 Ų164112.9 Ų112.977%0.76665%0.649SS**Hα-helixtrans-76.2-27.5176.1-70.4179.68.800113.3R350R350-Q354 WeakPolarHBondContact O-CB 3.35Å; R350-Q354 WeakPolarHBondContact O-CG 3.38Å; R350-Q354 PolarHBondContact O-N 3.45Å
355G59.6Low65Low72 Ų72119.5 Ų119.574%0.74269%0.685SS**Hα-helixtrans-76.6-16.9174.500000114.7S351 Q352S351-G355 PolarHBondContact O-N 3.47Å; Q352-G355 PolarHBondContact O-N 3.5Å
356S57.3Low62.6Low91 Ų91119 Ų11964%0.63670%0.698SS**THydrogen-bonded Turntrans-96.815.4-179.2-1720000114.1Q352 G358Q352-S356 PolarHBondContact O-N 2.86Å; S356-G358 PolarHBondContact O-N 2.92Å
357G51.1Low60.5Low80 Ų80119.6 Ų119.683%0.82571%0.707SS**  trans-71.244.5-178.700000115.8
358G50.7Low58.4Low62 Ų62120 Ų12064%0.63972%0.723SS**SBendtrans-153.243.7-177.400000114.5S356S356-G358 PolarHBondContact O-N 2.92Å
359Q42.6Very low56.1Low186 Ų186125.5 Ų125.587%0.86975%0.746SS**  trans177.3116.8140.5-100.616838.300110.3S361Q359-S361 PolarHBondContact O-N 2.95Å
360A49.1Very low53.5Low111 Ų111128.4 Ų128.492%0.91776%0.762SS**  trans-66120.616500000109.2
361S40.8Very low51.3Low105 Ų105125.9 Ų125.973%0.73477%0.766SS**  trans-134.7100.4163.2165.40000107.4Q359 A363Q359-S361 PolarHBondContact O-N 2.95Å; S361-A363 PolarHBondContact O-N 3.01Å; S361-A363 VanDerWaalsContact O-N 3.13Å
362M49.4Very low48.9Very low203 Ų203128.5 Ų128.5100%178%0.779SS**  trans-59.9109.7168.2-73.7-168163.700109.3
363A40Very low47Very low90 Ų90127.5 Ų127.574%0.74479%0.785SS**  trans-126.4119.1159.400000107.7S361S361-A363 PolarHBondContact O-N 3.01Å; S361-A363 VanDerWaalsContact O-N 3.13Å
364S38.3Very low45.1Very low118 Ų118126.8 Ų126.883%0.82579%0.79SS**PPolyproline II helixtrans-64131.9-173.949.10000113.8
365D43.6Very low43.8Very low156 Ų156124.7 Ų124.783%0.83479%0.794SS**PPolyproline II helixtrans-65.5143.2161.6-79.1-38.3000110.9
366P42.3Very low43Very low115 Ų115128.8 Ų128.875%0.74780%0.799SS**PPolyproline II helixtrans-81.1147.6171.632.5-30.9000111.4
367P43.7Very low42Very low106 Ų106127.9 Ų127.969%0.68880%0.803SS**PPolyproline II helixtrans-79.3139.6-172.531.2-33.4000112.9F369P367-F369 PolarHBondContact O-N 3.24Å
368S43.2Very low41.5Very low122 Ų122128.6 Ų128.685%0.85380%0.801SS**PPolyproline II helixtrans-66.5118.4168.951.50000111.6
369F38.5Very low41.1Very low190 Ų190135.3 Ų135.383%0.83381%0.814SS**  trans-89.2111.1167-77.3-93.2000109.8P367P367-F369 PolarHBondContact O-N 3.24Å
370F33.3Very low41.2Very low196 Ų196135.5 Ų135.586%0.8681%0.814SS**  179.2122.3113-139.4-100.6000110.2
371T43.1Very low41Very low120 Ų120138.5 Ų138.574%0.73681%0.814SS**  trans-87.4161.3-178.829.10000112.5
372T34.3Very low41.1Very low132 Ų132137.8 Ų137.881%0.8182%0.815SS**  trans-174.1156.9136.520.40000111
373P41.2Very low41.5Very low118 Ų118134 Ų13477%0.76681%0.805SS**  -114.7158.2-115.9149000115.2
374T38Very low42Very low126 Ų126140.1 Ų140.177%0.77383%0.834SS**  trans-58.1126.7168.8-40.10000112
375S39.1Very low42.1Very low119 Ų119141.3 Ų141.383%0.83283%0.834SS**  trans-101.892.7158.660.40000108.6
376D42.7Very low42.1Very low159 Ų159140.5 Ų140.585%0.8583%0.834SS**  trans-90.7114.2159.5-106.1-25.2000107.4
377G38Very low42Very low71 Ų71141.9 Ų141.973%0.73284%0.839SS**  trans-151.271.9179.600000109.2F379G377-F379 PolarHBondContact O-N 3.42Å
378A39.8Very low41.9Very low95 Ų95144 Ų14479%0.78585%0.848SS**  trans-66.6119.816700000109.4
379F42.6Very low41.9Very low204 Ų204145.4 Ų145.490%0.89585%0.848SS**  trans-133.4106.1154.3-99.4-84.2000107.9G377G377-F379 PolarHBondContact O-N 3.42Å
380E43.9Very low42.1Very low189 Ų189142.4 Ų142.488%0.88385%0.849SS**  trans-62.1136.2164.1-70.3173.813900109.7
381L45Very low42.7Very low174 Ų174138.6 Ų138.691%0.91185%0.848SS**  trans-122.9114.6159.3-82.5165.3000107.9
382A43.3Very low42.7Very low91 Ų91140 Ų14075%0.75286%0.856SS**  trans-73.1164.517000000110.8
383P57.6Low43.4Very low123 Ų123140.7 Ų140.780%0.79986%0.86SS**  trans-89.5151.8-157.136.2-33.2000113.4
384T49.6Very low43.6Very low219 Ų219142.7 Ų142.7100%1.34487%0.869SS**  trans-148.60151.846.50000108.9

Retrieved 384 of 384 residues in 456.4 ms (Link to these results)

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