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DNA-directed RNA polymerases I, II, and III subunit RPABC3

DNA-dependent RNA polymerase catalyzes the transcription of DNA into RNA using the four ribonucleoside triphosphates as substrates. Common component of RNA polymerases I, II and III which synthesize ribosomal RNA precursors, mRNA precursors and many functional non-coding RNAs, and small RNAs, such as 5S rRNA and tRNAs, respectively.

AlphaFold DB , UniProt , Accession A0A060XRX2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene polr2h, Length 150 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 low82.1Confident220 Ų22052.3 Ų52.3100%1.08429%0.286SS*.  070.30-69.4176.3-152.700108.8
2A60.9Low83Confident47 Ų4748.1 Ų48.139%0.38826%0.263SS..  trans-91.6133.3-179.300000110R84A2-R84 VanDerWaalsContact O-CZ 3.22Å; A2-R84 PolarHBondContact O-NH1 2.84Å; A2-R84 PolarHBondContact O-NH2 3.47Å
3G73Confident83.8Confident24 Ų2452.7 Ų52.725%0.24728%0.279CS..SBendtrans82.114.5170.800000117.1A61 S62G3-A61 CarbonylContact O-C 3.5Å; G3-A61 WeakPolarHBondContact O-CA 3.48Å; G3-A61 WeakPolarHBondContact O-CB 3.34Å; G3-S62 PolarHBondContact O-N 2.94Å; G3-S62 PolarHBondContact O-OG 2.81Å
4I86.4Confident84.4Confident60 Ų6054 Ų5431%0.30829%0.286SS..EExtended strand (participates in β ladder)trans-86.2124.5161-62.6173.4000106.9E7 V59I4-E7 HydrophobicContact CG2-CB 4.29Å; I4-V59 HydrophobicContact CG1-CG1 4.43Å; I4-V59 HydrophobicContact CG2-CG1 3.97Å
5L87.2Confident84.7Confident42 Ų4253.4 Ų53.422%0.2228%0.282CS..EExtended strand (participates in β ladder)trans-92.3-39.9178.5-61.4178.6000111.1I60 V141L5-I60 HydrophobicContact CB-CG2 4.42Å; L5-I60 HydrophobicContact CD1-CG2 4.35Å; L5-I60 PolarHBondContact N-O 3.01Å; L5-V141 HydrophobicContact CD1-CG1 3.75Å
6F88.1Confident84.8Confident11 Ų1151.6 Ų51.65%0.04827%0.273CS..EExtended strand (participates in β ladder)trans-151.8144.2-175.9179.7-102.2000110.4D8 F10 M37 L58 V59 I60 L125 F135F6-D8 HydrophobicContact CE1-CB 3.91Å; F6-D8 HydrophobicContact CE2-CB 4.42Å; F6-D8 HydrophobicContact CZ-CB 3.62Å; F6-F10 AromaticContact CE1-CE2 3.74Å; F6-F10 HydrophobicContact CE1-CE2 3.74Å; F6-F10 AromaticContact CE1-CZ 3.82Å; F6-F10 HydrophobicContact CE1-CZ 3.82Å; F6-F10 HydrophobicContact CZ-CE2 4.2Å; F6-F10 AromaticContact CZ-CZ 3.96Å; F6-F10 HydrophobicContact CZ-CZ 3.96Å; F6-M37 HydrophobicContact CE2-CE 3.96Å; F6-M37 HydrophobicContact CE2-SD 3.61Å; F6-M37 HydrophobicContact CZ-CE 4.46Å; F6-M37 HydrophobicContact CZ-SD 3.54Å; F6-M37 VanDerWaalsContact CZ-SD 3.54Å; F6-L58 HydrophobicContact CD1-CD2 4.07Å; F6-L58 HydrophobicContact CE1-CD2 4.2Å; F6-V59 CarbonylContact O-C 3.55Å; F6-V59 WeakPolarHBondContact O-CA 3.16Å; F6-I60 HydrophobicContact CB-CB 4.17Å; F6-I60 HydrophobicContact CD1-CD1 4.22Å; F6-I60 PolarHBondContact N-O 2.9Å; F6-I60 VanDerWaalsContact N-O 3.13Å; F6-I60 PolarHBondContact O-N 2.98Å; F6-L125 HydrophobicContact CD1-CD2 4.1Å; F6-L125 HydrophobicContact CE1-CD1 4.4Å; F6-L125 HydrophobicContact CE1-CD2 4.03Å; F6-L125 HydrophobicContact CG-CD2 4.36Å; F6-L125 HydrophobicContact CZ-CD1 4.49Å; F6-L125 HydrophobicContact CZ-CD2 4.27Å; F6-F135 HydrophobicContact CB-CE2 4.07Å; F6-F135 HydrophobicContact CB-CZ 4.1Å
7E89.3Confident84.4Confident80 Ų8052.3 Ų52.337%0.37428%0.281SS..EExtended strand (participates in β ladder)trans-150.7127.5176.8168.5171.6-17600109I4 R57 L58 V59I4-E7 HydrophobicContact CG2-CB 4.29Å; E7-R57 IonicContact OE1-CZ 2.91Å; E7-R57 IonicContact OE1-NE 2.69Å; E7-R57 PolarHBondContact OE1-NE 3.23Å; E7-R57 IonicContact OE1-NH2 2.58Å; E7-R57 PolarHBondContact OE1-NH2 2.9Å; E7-R57 IonicContact OE2-NH2 3.14Å; E7-L58 WeakPolarHBondContact CA-O 3.46Å; E7-V59 HydrophobicContact CB-CG2 4.13Å; E7-V59 HydrophobicContact CG-CG2 3.86Å
8D90.4Very high84.2Confident8 Ų855.9 Ų55.94%0.04330%0.301CS..EExtended strand (participates in β ladder)trans-159.8169.6173.8-157.24.6000112.1F6 F10 S32 S34 F35 L58F6-D8 HydrophobicContact CE1-CB 3.91Å; F6-D8 HydrophobicContact CE2-CB 4.42Å; F6-D8 HydrophobicContact CZ-CB 3.62Å; D8-F10 HydrophobicContact CB-CD2 4.44Å; D8-F10 HydrophobicContact CB-CE2 3.82Å; D8-F10 HydrophobicContact CB-CZ 4.33Å; D8-S32 WeakPolarHBondContact OD2-CB 3.39Å; D8-S32 PolarHBondContact OD2-OG 2.8Å; D8-S34 WeakPolarHBondContact OD1-CB 3.33Å; D8-S34 PolarHBondContact OD1-OG 2.69Å; D8-F35 WeakPolarHBondContact OD2-CD2 3.46Å; D8-L58 PolarHBondContact N-O 2.58Å; D8-L58 PolarHBondContact O-N 2.86Å; D8-L58 VanDerWaalsContact O-O 3.13Å
9I92.6Very high83.9Confident55 Ų5555 Ų5528%0.28231%0.305SS..EExtended strand (participates in β ladder)trans-102.8127.3172.4-59.2172.5000108.6E33 F56 R57 L148I9-E33 PolarHBondContact O-N 3.39Å; I9-F56 WeakPolarHBondContact CA-O 3.22Å; I9-R57 HydrophobicContact CG1-CB 4.48Å; I9-L148 HydrophobicContact CD1-CD1 3.85Å; I9-L148 HydrophobicContact CG1-CD1 4.04Å; I9-L148 HydrophobicContact CG2-CD1 3.7Å
10F93Very high83.7Confident0 Ų058.6 Ų58.60%032%0.321CS..EExtended strand (participates in β ladder)trans-114.1145.6177.7-71.4-90.5000111F6 D8 C30 E31 M37 L39 K55 F56 L58 L125F6-F10 AromaticContact CE1-CE2 3.74Å; F6-F10 HydrophobicContact CE1-CE2 3.74Å; F6-F10 AromaticContact CE1-CZ 3.82Å; F6-F10 HydrophobicContact CE1-CZ 3.82Å; F6-F10 HydrophobicContact CZ-CE2 4.2Å; F6-F10 AromaticContact CZ-CZ 3.96Å; F6-F10 HydrophobicContact CZ-CZ 3.96Å; D8-F10 HydrophobicContact CB-CD2 4.44Å; D8-F10 HydrophobicContact CB-CE2 3.82Å; D8-F10 HydrophobicContact CB-CZ 4.33Å; F10-C30 HydrophobicContact CB-CB 3.95Å; F10-C30 HydrophobicContact CD1-CB 4.2Å; F10-C30 HydrophobicContact CG-CB 4.43Å; F10-E31 WeakPolarHBondContact CA-O 3.3Å; F10-M37 HydrophobicContact CE1-CB 4.32Å; F10-L39 HydrophobicContact CB-CD2 4.44Å; F10-L39 HydrophobicContact CD1-CB 3.69Å; F10-L39 HydrophobicContact CD1-CD2 3.83Å; F10-L39 HydrophobicContact CD1-CG 4.43Å; F10-L39 HydrophobicContact CD2-CD2 4Å; F10-L39 HydrophobicContact CE1-CB 3.53Å; F10-L39 HydrophobicContact CE1-CD2 4.05Å; F10-L39 HydrophobicContact CE1-CG 4.4Å; F10-L39 HydrophobicContact CE2-CD2 4.2Å; F10-L39 HydrophobicContact CG-CD2 3.81Å; F10-L39 HydrophobicContact CZ-CB 4.23Å; F10-L39 HydrophobicContact CZ-CD2 4.23Å; F10-K55 WeakPolarHBondContact O-CA 3.37Å; F10-F56 HydrophobicContact CB-CD2 4.27Å; F10-F56 HydrophobicContact CB-CE1 3.92Å; F10-F56 HydrophobicContact CB-CE2 3.69Å; F10-F56 HydrophobicContact CB-CZ 3.5Å; F10-F56 HydrophobicContact CD2-CE2 4.26Å; F10-F56 HydrophobicContact CG-CE2 4.28Å; F10-F56 HydrophobicContact CG-CZ 4.31Å; F10-F56 PolarHBondContact N-O 2.8Å; F10-F56 PolarHBondContact O-N 3.15Å; F10-L58 HydrophobicContact CD2-CB 3.89Å; F10-L58 HydrophobicContact CE2-CB 4.14Å; F10-L58 HydrophobicContact CE2-CD2 4.32Å; F10-L125 HydrophobicContact CE1-CD1 4.31Å; F10-L125 HydrophobicContact CZ-CD1 3.88Å
11D93.1Very high83.7Confident28 Ų2862.5 Ų62.515%0.1534%0.335CS..EExtended strand (participates in β ladder)trans-109.2129.3173.8-176.324.5000109.3K13 C30 E31 K55D11-K13 PolarHBondContact O-N 3.19Å; D11-K13 WeakPolarHBondContact OD2-CE 3.4Å; D11-K13 IonicContact OD2-NZ 3.3Å; D11-K13 PolarHBondContact OD2-NZ 3.43Å; D11-C30 CarbonylContact O-C 3.55Å; D11-C30 WeakPolarHBondContact O-CA 3.45Å; D11-C30 WeakPolarHBondContact O-CB 2.98Å; D11-E31 PolarHBondContact N-O 3.3Å; D11-E31 PolarHBondContact O-N 3.38Å; D11-K55 HydrophobicContact CB-CG 4.34Å
12V92.9Very high85.5Confident2 Ų258.7 Ų58.71%0.01231%0.313CS..EExtended strand (participates in β ladder)trans-75.8108.2179.7-178.70000109.2I15 L28 V50 G53 D54 F56V12-I15 HydrophobicContact CG1-CD1 4.05Å; V12-I15 HydrophobicContact CG1-CG1 3.71Å; V12-L28 HydrophobicContact CG1-CD2 4.38Å; V12-V50 HydrophobicContact CG2-CG1 3.68Å; V12-G53 WeakPolarHBondContact O-CA 3.48Å; V12-G53 PolarHBondContact O-N 2.82Å; V12-D54 HydrophobicContact CG2-CB 4.27Å; V12-D54 WeakPolarHBondContact CG2-O 3.39Å; V12-D54 PolarHBondContact N-O 2.82Å; V12-F56 HydrophobicContact CG2-CD1 3.91Å; V12-F56 HydrophobicContact CG2-CE1 3.56Å
13K92.8Very high86.7Confident108 Ų10863.8 Ų63.847%0.4733%0.333SS..EExtended strand (participates in β ladder)trans-90-32.7-179.1-64.5-55.1-170.8-168.30113.6D11 H29 E31 L52D11-K13 PolarHBondContact O-N 3.19Å; D11-K13 WeakPolarHBondContact OD2-CE 3.4Å; D11-K13 IonicContact OD2-NZ 3.3Å; D11-K13 PolarHBondContact OD2-NZ 3.43Å; K13-H29 PolarHBondContact N-O 2.92Å; K13-E31 VanDerWaalsContact CE-OE2 3.29Å; K13-E31 WeakPolarHBondContact CE-OE2 3.38Å; K13-E31 HydrophobicContact CG-CB 3.82Å; K13-L52 VanDerWaalsContact O-CD1 3.3Å; K13-L52 WeakPolarHBondContact O-CD1 3.23Å
14D92.2Very high87.4Confident71 Ų7170.4 Ų70.438%0.3835%0.351SS..EExtended strand (participates in β ladder)trans-153.3154.2179.6-154.8-0.2000111.2H29D14-H29 HydrophobicContact CB-CB 4Å; D14-H29 PolarHBondContact N-O 2.74Å; D14-H29 VanDerWaalsContact N-O 3.09Å; D14-H29 PolarHBondContact O-N 2.97Å
15I89.3Confident87.6Confident45 Ų4569.3 Ų69.323%0.23135%0.347CS..EExtended strand (participates in β ladder)trans-131.9120.4178.3-55.1-176.9000107.6V12 L28 V50 L52V12-I15 HydrophobicContact CG1-CD1 4.05Å; V12-I15 HydrophobicContact CG1-CG1 3.71Å; I15-L28 HydrophobicContact CB-CD2 4.36Å; I15-L28 HydrophobicContact CD1-CD2 4.02Å; I15-L28 HydrophobicContact CG1-CD2 3.74Å; I15-L28 HydrophobicContact CG2-CD2 4.03Å; I15-V50 WeakPolarHBondContact CD1-O 3.28Å; I15-L52 HydrophobicContact CD1-CB 4.47Å; I15-L52 HydrophobicContact CG1-CD1 4.36Å
16D86.7Confident87.8Confident25 Ų2567.5 Ų67.513%0.13434%0.338CS..  trans53.865.3179.1-65.8-41.8000114.4D18 G19 M20 S26 R27D16-D18 PolarHBondContact O-N 2.96Å; D16-D18 VanDerWaalsContact O-N 3.15Å; D16-G19 WeakPolarHBondContact O-CA 3.31Å; D16-G19 PolarHBondContact O-N 2.85Å; D16-M20 HydrophobicContact CB-CG 4.45Å; D16-S26 WeakPolarHBondContact OD1-CA 3.29Å; D16-S26 WeakPolarHBondContact OD2-CB 3.16Å; D16-S26 PolarHBondContact OD2-OG 3.24Å; D16-R27 PolarHBondContact N-O 2.7Å; D16-R27 PolarHBondContact OD1-N 2.69Å
17P77.1Confident88Confident63 Ų6371.2 Ų71.241%0.40935%0.352SS..THydrogen-bonded Turntrans-62.2-25.4-179.223.3-33.4000113.9G19 H29P17-G19 VanDerWaalsContact C-N 3.27Å; P17-H29 WeakPolarHBondContact CG-NE2 3.45Å
18D81.4Confident88.2Confident118 Ų11867.4 Ų67.463%0.63133%0.334SS*.THydrogen-bonded Turntrans-87.67.7174.3-69.4-35.3000113.3D16 K21D16-D18 PolarHBondContact O-N 2.96Å; D16-D18 VanDerWaalsContact O-N 3.15Å; D18-K21 IonicContact OD2-NZ 2.83Å; D18-K21 PolarHBondContact OD2-NZ 3.09Å
19G79.3Confident88.4Confident38 Ų3869.8 Ų69.839%0.39235%0.345SS..  trans81.8160.5-17000000113.6D16 P17 K21D16-G19 WeakPolarHBondContact O-CA 3.31Å; D16-G19 PolarHBondContact O-N 2.85Å; P17-G19 VanDerWaalsContact C-N 3.27Å; G19-K21 PolarHBondContact O-N 2.86Å
20M79.6Confident88.4Confident127 Ų12767.4 Ų67.463%0.62633%0.333SS*.  trans-66.1101.4178.3-70.2-174.575.400110.8D16 I45D16-M20 HydrophobicContact CB-CG 4.45Å; M20-I45 HydrophobicContact CE-CD1 4.4Å
21K82.8Confident88.4Confident141 Ų14171.1 Ų71.161%0.61335%0.35SS*.  trans-88.1-20.3175-68.1175.9-175.7165.30112.6D18 G19D18-K21 IonicContact OD2-NZ 2.83Å; D18-K21 PolarHBondContact OD2-NZ 3.09Å; G19-K21 PolarHBondContact O-N 2.86Å
22F87.3Confident88.2Confident140 Ų14070.1 Ų70.161%0.61435%0.345SS*.  trans-133144.2-177-55.6-77.1000110.5V25F22-V25 HydrophobicContact CB-CB 4.31Å; F22-V25 WeakPolarHBondContact CB-O 3.47Å
23D85.9Confident87.7Confident153 Ų15375.8 Ų75.882%0.81837%0.372SS*.SBendtrans-75.8-29.7-178.5-82.5-15.8000113.7
24R89.1Confident86.9Confident163 Ų16374.2 Ų74.262%0.61537%0.374SS*.SBendtrans-114.1-12.4-170.1-61.9-178.4-175.1179.91.9113.9N44 I45 Q46R24-N44 CarbonylContact O-C 3.56Å; R24-N44 WeakPolarHBondContact O-CA 3.43Å; R24-N44 PolarHBondContact O-OD1 3.27Å; R24-N44 VanDerWaalsContact O-OD1 3.08Å; R24-I45 WeakPolarHBondContact O-CG1 3.33Å; R24-I45 PolarHBondContact O-N 3.08Å; R24-I45 VanDerWaalsContact O-N 3.1Å; R24-Q46 VanDerWaalsContact CD-OE1 3.31Å
25V90.4Very high85.8Confident38 Ų3875.5 Ų75.523%0.2338%0.377CS..EExtended strand (participates in β ladder)trans-126127.7-176.51800000107.7F22 D42 V43 L121F22-V25 HydrophobicContact CB-CB 4.31Å; F22-V25 WeakPolarHBondContact CB-O 3.47Å; V25-D42 HydrophobicContact CG1-CB 4.04Å; V25-V43 VanDerWaalsContact CA-O 3.3Å; V25-V43 WeakPolarHBondContact CA-O 3.21Å; V25-L121 HydrophobicContact CB-CD2 4.48Å; V25-L121 HydrophobicContact CG1-CD2 3.57Å; V25-L121 HydrophobicContact CG2-CD2 4.01Å
26S90.8Very high85.4Confident4 Ų481 Ų813%0.02840%0.399CS..EExtended strand (participates in β ladder)trans-119.6147.2172.7-72.30000109.9D16 D42 V43D16-S26 WeakPolarHBondContact OD1-CA 3.29Å; D16-S26 WeakPolarHBondContact OD2-CB 3.16Å; D16-S26 PolarHBondContact OD2-OG 3.24Å; S26-D42 WeakPolarHBondContact O-CA 3.42Å; S26-V43 PolarHBondContact N-O 2.83Å; S26-V43 VanDerWaalsContact N-O 3.08Å; S26-V43 PolarHBondContact O-N 2.93Å
27R93.3Very high85.4Confident89 Ų8979.9 Ų79.934%0.33639%0.393SS..EExtended strand (participates in β ladder)trans-92.9109.1174.3179.2160.3-70.4171.81.6109.2D16 I40 D42D16-R27 PolarHBondContact N-O 2.7Å; D16-R27 PolarHBondContact OD1-N 2.69Å; R27-I40 HydrophobicContact CG-CG2 3.61Å; R27-D42 WeakPolarHBondContact CB-OD1 3.47Å; R27-D42 IonicContact CZ-OD1 3.87Å; R27-D42 IonicContact CZ-OD2 2.69Å; R27-D42 IonicContact NE-OD1 3.95Å; R27-D42 PolarHBondContact NE-OD1 2.79Å; R27-D42 IonicContact NE-OD2 3.37Å; R27-D42 IonicContact NH2-OD1 3.74Å; R27-D42 PolarHBondContact NH2-OD1 3.1Å; R27-D42 VanDerWaalsContact NH2-OD1 3.14Å; R27-D42 IonicContact NH2-OD2 2.96Å; R27-D42 PolarHBondContact NH2-OD2 2.79Å
28L92.6Very high86.1Confident0 Ų079.8 Ų79.80%039%0.389CS..EExtended strand (participates in β ladder)trans-85.2135.3176.2-55.8178.9000110.1V12 I15 I40 L41 V43 V50V12-L28 HydrophobicContact CG1-CD2 4.38Å; I15-L28 HydrophobicContact CB-CD2 4.36Å; I15-L28 HydrophobicContact CD1-CD2 4.02Å; I15-L28 HydrophobicContact CG1-CD2 3.74Å; I15-L28 HydrophobicContact CG2-CD2 4.03Å; L28-I40 WeakPolarHBondContact O-CA 3.18Å; L28-L41 PolarHBondContact N-O 3.19Å; L28-L41 PolarHBondContact O-N 3.07Å; L28-V43 HydrophobicContact CD1-CB 4.34Å; L28-V43 HydrophobicContact CD1-CG1 3.83Å; L28-V43 HydrophobicContact CD1-CG2 3.54Å; L28-V43 HydrophobicContact CD2-CG2 4.37Å; L28-V43 HydrophobicContact CG-CG2 3.79Å; L28-V50 HydrophobicContact CD1-CB 4.22Å; L28-V50 HydrophobicContact CD1-CG1 3.96Å; L28-V50 HydrophobicContact CD1-CG2 4.19Å; L28-V50 HydrophobicContact CD2-CB 4.31Å; L28-V50 HydrophobicContact CD2-CG1 4.12Å
29H93.8Very high86.6Confident58 Ų5874.2 Ų74.227%0.26936%0.359SS..EExtended strand (participates in β ladder)trans-108.2113.6166.7-76.7-124.1000107.7K13 D14 P17K13-H29 PolarHBondContact N-O 2.92Å; D14-H29 HydrophobicContact CB-CB 4Å; D14-H29 PolarHBondContact N-O 2.74Å; D14-H29 VanDerWaalsContact N-O 3.09Å; D14-H29 PolarHBondContact O-N 2.97Å; P17-H29 WeakPolarHBondContact CG-NE2 3.45Å
30C93.4Very high87.3Confident5 Ų573.6 Ų73.63%0.03435%0.346CS..EExtended strand (participates in β ladder)trans-123.5149.3-175.1-43.10000109.9F10 D11 L39 F56F10-C30 HydrophobicContact CB-CB 3.95Å; F10-C30 HydrophobicContact CD1-CB 4.2Å; F10-C30 HydrophobicContact CG-CB 4.43Å; D11-C30 CarbonylContact O-C 3.55Å; D11-C30 WeakPolarHBondContact O-CA 3.45Å; D11-C30 WeakPolarHBondContact O-CB 2.98Å; C30-L39 HydrophobicContact CB-CB 4.16Å; C30-L39 HydrophobicContact CB-CD2 4.19Å; C30-L39 HydrophobicContact CB-CG 4.41Å; C30-L39 PolarHBondContact N-O 3.41Å; C30-L39 PolarHBondContact O-N 2.64Å; C30-F56 HydrophobicContact CB-CE1 4.17Å; C30-F56 HydrophobicContact CB-CZ 3.98Å; C30-F56 VanDerWaalsContact SG-CE1 3.58Å; C30-F56 VanDerWaalsContact SG-CZ 3.54Å
31E92.1Very high88Confident77 Ų7767.5 Ų67.536%0.3632%0.317SS..EExtended strand (participates in β ladder)trans-121.5137.5176.9-167-179.6-176.600109F10 D11 K13 M37F10-E31 WeakPolarHBondContact CA-O 3.3Å; D11-E31 PolarHBondContact N-O 3.3Å; D11-E31 PolarHBondContact O-N 3.38Å; K13-E31 VanDerWaalsContact CE-OE2 3.29Å; K13-E31 WeakPolarHBondContact CE-OE2 3.38Å; K13-E31 HydrophobicContact CG-CB 3.82Å; E31-M37 WeakPolarHBondContact CA-O 3.43Å
32S89.3Confident88.5Confident7 Ų761.4 Ų61.45%0.04929%0.291CS..EExtended strand (participates in β ladder)trans-71.6138.11761550000110.9D8 S34 F35 M37D8-S32 WeakPolarHBondContact OD2-CB 3.39Å; D8-S32 PolarHBondContact OD2-OG 2.8Å; S32-S34 PolarHBondContact OG-N 2.63Å; S32-F35 PolarHBondContact OG-N 3.02Å; S32-M37 PolarHBondContact N-O 3.45Å
33E83.7Confident88.8Confident121 Ų12154.8 Ų54.857%0.56526%0.262SS*.THydrogen-bonded Turntrans-75.4-31175.4-169163.9-168.300112I9 K55I9-E33 PolarHBondContact O-N 3.39Å; E33-K55 IonicContact OE1-NZ 2.8Å; E33-K55 PolarHBondContact OE1-NZ 3.1Å; E33-K55 IonicContact OE2-NZ 2.74Å; E33-K55 PolarHBondContact OE2-NZ 3.43Å
34S75.1Confident89.1Confident75 Ų7549.4 Ų49.452%0.52423%0.233SC..THydrogen-bonded Turntrans-93.8-39.3-168.8-50.70000113.5D8 S32D8-S34 WeakPolarHBondContact OD1-CB 3.33Å; D8-S34 PolarHBondContact OD1-OG 2.69Å; S32-S34 PolarHBondContact OG-N 2.63Å
35F69.7Low89.1Confident98 Ų9843.6 Ų43.643%0.4321%0.214SC..THydrogen-bonded Turntrans-126.69.9-161.4-62-67.4000114.8D8 S32 M37 N131D8-F35 WeakPolarHBondContact OD2-CD2 3.46Å; S32-F35 PolarHBondContact OG-N 3.02Å; F35-M37 HydrophobicContact CB-CE 3.79Å; F35-M37 HydrophobicContact CB-CG 3.93Å; F35-M37 HydrophobicContact CB-SD 4.24Å; F35-M37 HydrophobicContact CG-CE 4.35Å; F35-M37 PolarHBondContact O-N 2.96Å; F35-N131 WeakPolarHBondContact CD1-ND2 3.25Å; F35-N131 WeakPolarHBondContact CG-ND2 3.47Å
36K80.9Confident89.1Confident162 Ų16247.9 Ų47.970%0.70423%0.231SC*.  trans49.945-176.9-60.6-173.6177.5-176.40112.5
37M86.4Confident89.1Confident0 Ų053.1 Ų53.10%026%0.258CS..  trans-96.4143.1176-63.5-176176.300110.8F6 F10 E31 S32 F35 L125 Q126 N131 L132F6-M37 HydrophobicContact CE2-CE 3.96Å; F6-M37 HydrophobicContact CE2-SD 3.61Å; F6-M37 HydrophobicContact CZ-CE 4.46Å; F6-M37 HydrophobicContact CZ-SD 3.54Å; F6-M37 VanDerWaalsContact CZ-SD 3.54Å; F10-M37 HydrophobicContact CE1-CB 4.32Å; E31-M37 WeakPolarHBondContact CA-O 3.43Å; S32-M37 PolarHBondContact N-O 3.45Å; F35-M37 HydrophobicContact CB-CE 3.79Å; F35-M37 HydrophobicContact CB-CG 3.93Å; F35-M37 HydrophobicContact CB-SD 4.24Å; F35-M37 HydrophobicContact CG-CE 4.35Å; F35-M37 PolarHBondContact O-N 2.96Å; M37-L125 HydrophobicContact SD-CD1 4.39Å; M37-Q126 VanDerWaalsContact CA-O 3.28Å; M37-Q126 WeakPolarHBondContact CA-O 3.36Å; M37-Q126 WeakPolarHBondContact CB-O 3.32Å; M37-N131 HydrophobicContact CE-CB 3.17Å; M37-N131 WeakPolarHBondContact CE-ND2 3.49Å; M37-L132 HydrophobicContact CE-CD1 4.43Å
38D90.8Very high88.9Confident61 Ų6149.7 Ų49.733%0.32625%0.245SC..EExtended strand (participates in β ladder)trans-101.7127.4175-60.8-57.2000109Q126D38-Q126 HydrophobicContact CB-CB 4.4Å; D38-Q126 PolarHBondContact N-O 2.91Å; D38-Q126 PolarHBondContact O-N 2.88Å
39L92.6Very high88.8Confident2 Ų253.5 Ų53.51%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-119.3125.3177.9172.766.6000109.3F10 C30 L41 F56 L58 M123 R124 L125F10-L39 HydrophobicContact CB-CD2 4.44Å; F10-L39 HydrophobicContact CD1-CB 3.69Å; F10-L39 HydrophobicContact CD1-CD2 3.83Å; F10-L39 HydrophobicContact CD1-CG 4.43Å; F10-L39 HydrophobicContact CD2-CD2 4Å; F10-L39 HydrophobicContact CE1-CB 3.53Å; F10-L39 HydrophobicContact CE1-CD2 4.05Å; F10-L39 HydrophobicContact CE1-CG 4.4Å; F10-L39 HydrophobicContact CE2-CD2 4.2Å; F10-L39 HydrophobicContact CG-CD2 3.81Å; F10-L39 HydrophobicContact CZ-CB 4.23Å; F10-L39 HydrophobicContact CZ-CD2 4.23Å; C30-L39 HydrophobicContact CB-CB 4.16Å; C30-L39 HydrophobicContact CB-CD2 4.19Å; C30-L39 HydrophobicContact CB-CG 4.41Å; C30-L39 PolarHBondContact N-O 3.41Å; C30-L39 PolarHBondContact O-N 2.64Å; L39-L41 HydrophobicContact CD1-CB 4.38Å; L39-L41 HydrophobicContact CG-CB 4.35Å; L39-F56 HydrophobicContact CD2-CE2 4.18Å; L39-F56 HydrophobicContact CD2-CZ 4.02Å; L39-L58 HydrophobicContact CD2-CD1 3.71Å; L39-M123 HydrophobicContact CD1-CE 3.35Å; L39-M123 HydrophobicContact CD1-CG 3.88Å; L39-M123 HydrophobicContact CD1-SD 4.34Å; L39-R124 WeakPolarHBondContact CA-O 3.45Å; L39-L125 HydrophobicContact CB-CD1 4.4Å; L39-L125 HydrophobicContact CD1-CD1 4.25Å
40I94.6Very high88.6Confident24 Ų2451.2 Ų51.212%0.12326%0.26CS..EExtended strand (participates in β ladder)trans-112.2126.4164.6-59.4-179.5000107.2R27 L28 M123 R124R27-I40 HydrophobicContact CG-CG2 3.61Å; L28-I40 WeakPolarHBondContact O-CA 3.18Å; I40-M123 CarbonylContact O-C 3.58Å; I40-M123 VanDerWaalsContact O-CA 3.23Å; I40-M123 WeakPolarHBondContact O-CA 3.43Å; I40-R124 HydrophobicContact CB-CB 4.26Å; I40-R124 VanDerWaalsContact CD1-CZ 3.49Å; I40-R124 PolarHBondContact N-O 2.92Å; I40-R124 PolarHBondContact O-N 3.18Å
41L94.1Very high88.4Confident0 Ų056 Ų560%029%0.285CS..EExtended strand (participates in β ladder)trans-140.8127.2-176.9-176.666000111.1L28 L39 V43 L58 M92 Y118 M123 L143L28-L41 PolarHBondContact N-O 3.19Å; L28-L41 PolarHBondContact O-N 3.07Å; L39-L41 HydrophobicContact CD1-CB 4.38Å; L39-L41 HydrophobicContact CG-CB 4.35Å; L41-V43 HydrophobicContact CD2-CG1 3.66Å; L41-V43 HydrophobicContact CG-CG1 3.75Å; L41-L58 HydrophobicContact CD2-CD1 4.4Å; L41-M92 HydrophobicContact CD1-CE 3.91Å; L41-M92 HydrophobicContact CD2-CE 4.35Å; L41-M92 HydrophobicContact CG-CE 4.45Å; L41-Y118 HydrophobicContact CD1-CE2 4.33Å; L41-M123 HydrophobicContact CD1-CB 3.68Å; L41-M123 HydrophobicContact CD1-CG 3.8Å; L41-M123 HydrophobicContact CD1-SD 4.26Å; L41-L143 HydrophobicContact CD1-CD1 3.87Å; L41-L143 HydrophobicContact CD2-CD1 4.06Å
42D93.5Very high88.3Confident13 Ų1357.9 Ų57.97%0.0730%0.297CS..EExtended strand (participates in β ladder)trans-82.3123.6168.6-62.5-26.3000109.6V25 S26 R27 L121 L122V25-D42 HydrophobicContact CG1-CB 4.04Å; S26-D42 WeakPolarHBondContact O-CA 3.42Å; R27-D42 WeakPolarHBondContact CB-OD1 3.47Å; R27-D42 IonicContact CZ-OD1 3.87Å; R27-D42 IonicContact CZ-OD2 2.69Å; R27-D42 IonicContact NE-OD1 3.95Å; R27-D42 PolarHBondContact NE-OD1 2.79Å; R27-D42 IonicContact NE-OD2 3.37Å; R27-D42 IonicContact NH2-OD1 3.74Å; R27-D42 PolarHBondContact NH2-OD1 3.1Å; R27-D42 VanDerWaalsContact NH2-OD1 3.14Å; R27-D42 IonicContact NH2-OD2 2.96Å; R27-D42 PolarHBondContact NH2-OD2 2.79Å; D42-L121 HydrophobicContact CB-CB 4.03Å; D42-L121 HydrophobicContact CB-CD2 3.85Å; D42-L122 PolarHBondContact N-O 3.29Å; D42-L122 PolarHBondContact OD2-N 2.86Å
43V92Very high88.3Confident0 Ų059.7 Ų59.70%032%0.317CS..EExtended strand (participates in β ladder)trans-127.1152.5179.1-58.20000111.9V25 S26 L28 L41 I45 Y90V25-V43 VanDerWaalsContact CA-O 3.3Å; V25-V43 WeakPolarHBondContact CA-O 3.21Å; S26-V43 PolarHBondContact N-O 2.83Å; S26-V43 VanDerWaalsContact N-O 3.08Å; S26-V43 PolarHBondContact O-N 2.93Å; L28-V43 HydrophobicContact CD1-CB 4.34Å; L28-V43 HydrophobicContact CD1-CG1 3.83Å; L28-V43 HydrophobicContact CD1-CG2 3.54Å; L28-V43 HydrophobicContact CD2-CG2 4.37Å; L28-V43 HydrophobicContact CG-CG2 3.79Å; L41-V43 HydrophobicContact CD2-CG1 3.66Å; L41-V43 HydrophobicContact CG-CG1 3.75Å; V43-I45 HydrophobicContact CG2-CG2 4.07Å; V43-I45 PolarHBondContact O-N 2.99Å; V43-Y90 HydrophobicContact CG1-CE1 4.49Å
44N92.6Very high88.7Confident40 Ų4056 Ų5621%0.21430%0.301CS..EExtended strand (participates in β ladder)trans-84.897.3173.1-175-16.4000110.8R24 Q46 I47 Y48 Y90R24-N44 CarbonylContact O-C 3.56Å; R24-N44 WeakPolarHBondContact O-CA 3.43Å; R24-N44 PolarHBondContact O-OD1 3.27Å; R24-N44 VanDerWaalsContact O-OD1 3.08Å; N44-Q46 PolarHBondContact O-N 2.96Å; N44-Q46 VanDerWaalsContact OD1-CB 3.25Å; N44-Q46 WeakPolarHBondContact OD1-CB 3.3Å; N44-Q46 PolarHBondContact OD1-N 2.83Å; N44-I47 HydrophobicContact CB-CD1 4.09Å; N44-I47 HydrophobicContact CB-CG1 3.88Å; N44-I47 WeakPolarHBondContact O-CG1 3.49Å; N44-I47 PolarHBondContact O-N 2.98Å; N44-Y48 PolarHBondContact O-N 2.86Å; N44-Y48 VanDerWaalsContact O-N 3.07Å; N44-Y90 PolarHBondContact N-OH 2.79Å
45I89.4Confident89.5Confident42 Ų4254.9 Ų54.922%0.21529%0.287CS..THydrogen-bonded Turntrans-66.8-14.4-178.155.4160.5000113.9M20 R24 V43 Y48 P49M20-I45 HydrophobicContact CE-CD1 4.4Å; R24-I45 WeakPolarHBondContact O-CG1 3.33Å; R24-I45 PolarHBondContact O-N 3.08Å; R24-I45 VanDerWaalsContact O-N 3.1Å; V43-I45 HydrophobicContact CG2-CG2 4.07Å; V43-I45 PolarHBondContact O-N 2.99Å; I45-Y48 WeakPolarHBondContact CA-O 3.32Å; I45-P49 WeakPolarHBondContact O-CA 3.44Å
46Q89.8Confident90.6Very high128 Ų12850.3 Ų50.360%0.59827%0.267SS*.THydrogen-bonded Turntrans-72.8-37.6178.1-171-176.8-3.200112.1R24 N44R24-Q46 VanDerWaalsContact CD-OE1 3.31Å; N44-Q46 PolarHBondContact O-N 2.96Å; N44-Q46 VanDerWaalsContact OD1-CB 3.25Å; N44-Q46 WeakPolarHBondContact OD1-CB 3.3Å; N44-Q46 PolarHBondContact OD1-N 2.83Å
47I91.3Very high91.1Very high114 Ų11446.9 Ų46.959%0.58525%0.249SC*.THydrogen-bonded Turntrans-96.6-29.7-179.459.1176.9000111.9N44 Y90N44-I47 HydrophobicContact CB-CD1 4.09Å; N44-I47 HydrophobicContact CB-CG1 3.88Å; N44-I47 WeakPolarHBondContact O-CG1 3.49Å; N44-I47 PolarHBondContact O-N 2.98Å; I47-Y90 HydrophobicContact CD1-CD2 4.45Å; I47-Y90 HydrophobicContact CD1-CE2 3.74Å; I47-Y90 HydrophobicContact CG1-CE2 3.98Å
48Y90.1Very high91.4Very high16 Ų1646.9 Ų46.96%0.06325%0.249CC..SBendtrans-131.683.5179.7-164.6-106.4000109.2N44 I45 V50 D89 Y90 M145 K147N44-Y48 PolarHBondContact O-N 2.86Å; N44-Y48 VanDerWaalsContact O-N 3.07Å; I45-Y48 WeakPolarHBondContact CA-O 3.32Å; Y48-V50 HydrophobicContact CD1-CG2 3.54Å; Y48-V50 HydrophobicContact CE1-CG2 3.74Å; Y48-V50 PolarHBondContact O-N 3.01Å; Y48-D89 HydrophobicContact CD2-CB 4.47Å; Y48-D89 HydrophobicContact CE2-CB 3.72Å; Y48-Y90 HydrophobicContact CD1-CD2 4.47Å; Y48-Y90 HydrophobicContact CD1-CG 4.34Å; Y48-Y90 HydrophobicContact CD2-CD2 4.31Å; Y48-Y90 HydrophobicContact CD2-CG 4.44Å; Y48-Y90 AromaticContact CG-CD2 3.89Å; Y48-Y90 HydrophobicContact CG-CD2 3.89Å; Y48-Y90 HydrophobicContact CG-CG 4.1Å; Y48-M145 HydrophobicContact CD1-CE 4.46Å; Y48-M145 HydrophobicContact CD1-SD 4.46Å; Y48-M145 HydrophobicContact CE1-CE 3.66Å; Y48-M145 HydrophobicContact CE1-CG 4.34Å; Y48-M145 HydrophobicContact CE1-SD 3.85Å; Y48-K147 HydrophobicContact CE1-CD 4.16Å; Y48-K147 HydrophobicContact CE1-CG 4.32Å; Y48-K147 HydrophobicContact CE2-CD 4.13Å; Y48-K147 WeakPolarHBondContact OH-CB 3.4Å; Y48-K147 WeakPolarHBondContact OH-CG 3.37Å; Y48-K147 PolarHBondContact OH-N 2.96Å
49P89.6Confident91.5Very high80 Ų8044.2 Ų44.252%0.51924%0.235SC..  trans-65.6130.1-179.427.3-33.3000108.7I45 K147I45-P49 WeakPolarHBondContact O-CA 3.44Å; P49-K147 WeakPolarHBondContact O-CE 3.34Å; P49-K147 PolarHBondContact O-NZ 2.87Å
50V89.3Confident91.4Very high11 Ų1144.1 Ų44.17%0.06723%0.234CC..  trans-125.3129.9179179.60000108.5V12 I15 L28 Y48 D54 M145V12-V50 HydrophobicContact CG2-CG1 3.68Å; I15-V50 WeakPolarHBondContact CD1-O 3.28Å; L28-V50 HydrophobicContact CD1-CB 4.22Å; L28-V50 HydrophobicContact CD1-CG1 3.96Å; L28-V50 HydrophobicContact CD1-CG2 4.19Å; L28-V50 HydrophobicContact CD2-CB 4.31Å; L28-V50 HydrophobicContact CD2-CG1 4.12Å; Y48-V50 HydrophobicContact CD1-CG2 3.54Å; Y48-V50 HydrophobicContact CE1-CG2 3.74Å; Y48-V50 PolarHBondContact O-N 3.01Å; V50-D54 HydrophobicContact CG1-CB 4.31Å; V50-M145 HydrophobicContact CG2-CE 4.45Å
51D89.4Confident91.2Very high106 Ų10643 Ų4357%0.56723%0.229SC*.  trans-104.6159.3179.5-66.9-56.2000111.2G53 D54D51-G53 PolarHBondContact O-N 3.04Å; D51-D54 PolarHBondContact N-OD2 2.91Å; D51-D54 VanDerWaalsContact O-CB 3.31Å; D51-D54 WeakPolarHBondContact O-CB 3.42Å; D51-D54 PolarHBondContact O-N 3.14Å
52L90.5Very high90.9Very high115 Ų11545.3 Ų45.360%0.60225%0.245SC*.THydrogen-bonded Turntrans-64.6129.9177.4-171.272.3000110.3K13 I15 D54K13-L52 VanDerWaalsContact O-CD1 3.3Å; K13-L52 WeakPolarHBondContact O-CD1 3.23Å; I15-L52 HydrophobicContact CD1-CB 4.47Å; I15-L52 HydrophobicContact CG1-CD1 4.36Å; L52-D54 VanDerWaalsContact C-N 3.33Å
53G89.1Confident90.5Very high46 Ų4644.8 Ų44.847%0.47424%0.242SC..THydrogen-bonded Turntrans83.23.9-176.200000114.8V12 D51V12-G53 WeakPolarHBondContact O-CA 3.48Å; V12-G53 PolarHBondContact O-N 2.82Å; D51-G53 PolarHBondContact O-N 3.04Å
54D91.5Very high90.1Very high42 Ų4245.9 Ų45.923%0.22525%0.248CC..  trans-64.6139.1169.5-83.7-12.2000110.6V12 V50 D51 L52 K147V12-D54 HydrophobicContact CG2-CB 4.27Å; V12-D54 WeakPolarHBondContact CG2-O 3.39Å; V12-D54 PolarHBondContact N-O 2.82Å; V50-D54 HydrophobicContact CG1-CB 4.31Å; D51-D54 PolarHBondContact N-OD2 2.91Å; D51-D54 VanDerWaalsContact O-CB 3.31Å; D51-D54 WeakPolarHBondContact O-CB 3.42Å; D51-D54 PolarHBondContact O-N 3.14Å; L52-D54 VanDerWaalsContact C-N 3.33Å; D54-K147 IonicContact OD2-NZ 3.02Å; D54-K147 PolarHBondContact OD2-NZ 2.68Å
55K92.4Very high89.6Confident53 Ų5346.5 Ų46.523%0.2325%0.248CC..EExtended strand (participates in β ladder)trans-101.5137.8169.4-66.8-171.6173.1-159.90110.6F10 D11 E33 L148 F150F10-K55 WeakPolarHBondContact O-CA 3.37Å; D11-K55 HydrophobicContact CB-CG 4.34Å; E33-K55 IonicContact OE1-NZ 2.8Å; E33-K55 PolarHBondContact OE1-NZ 3.1Å; E33-K55 IonicContact OE2-NZ 2.74Å; E33-K55 PolarHBondContact OE2-NZ 3.43Å; K55-L148 HydrophobicContact CB-CB 4.46Å; K55-L148 PolarHBondContact O-N 2.86Å; K55-F150 HydrophobicContact CD-CD2 4.36Å; K55-F150 HydrophobicContact CD-CE2 4.03Å
56F92.3Very high89Confident1 Ų149.4 Ų49.40%0.00426%0.261CS..EExtended strand (participates in β ladder)trans-140.2146.7176.561.8-90.5000111.4I9 F10 V12 C30 L39 L58 M145 K146I9-F56 WeakPolarHBondContact CA-O 3.22Å; F10-F56 HydrophobicContact CB-CD2 4.27Å; F10-F56 HydrophobicContact CB-CE1 3.92Å; F10-F56 HydrophobicContact CB-CE2 3.69Å; F10-F56 HydrophobicContact CB-CZ 3.5Å; F10-F56 HydrophobicContact CD2-CE2 4.26Å; F10-F56 HydrophobicContact CG-CE2 4.28Å; F10-F56 HydrophobicContact CG-CZ 4.31Å; F10-F56 PolarHBondContact N-O 2.8Å; F10-F56 PolarHBondContact O-N 3.15Å; V12-F56 HydrophobicContact CG2-CD1 3.91Å; V12-F56 HydrophobicContact CG2-CE1 3.56Å; C30-F56 HydrophobicContact CB-CE1 4.17Å; C30-F56 HydrophobicContact CB-CZ 3.98Å; C30-F56 VanDerWaalsContact SG-CE1 3.58Å; C30-F56 VanDerWaalsContact SG-CZ 3.54Å; L39-F56 HydrophobicContact CD2-CE2 4.18Å; L39-F56 HydrophobicContact CD2-CZ 4.02Å; F56-L58 HydrophobicContact CD2-CB 4.07Å; F56-L58 HydrophobicContact CE2-CB 3.94Å; F56-L58 HydrophobicContact CE2-CD1 3.97Å; F56-M145 HydrophobicContact CB-CE 3.74Å; F56-M145 HydrophobicContact CB-CG 4.19Å; F56-M145 HydrophobicContact CD1-CE 3.4Å; F56-M145 VanDerWaalsContact CD1-CE 3.4Å; F56-M145 HydrophobicContact CD2-CE 3.3Å; F56-M145 HydrophobicContact CD2-CG 3.63Å; F56-M145 HydrophobicContact CD2-SD 3.95Å; F56-M145 HydrophobicContact CE1-CE 3.7Å; F56-M145 HydrophobicContact CE2-CE 3.59Å; F56-M145 HydrophobicContact CE2-CG 4.28Å; F56-M145 HydrophobicContact CE2-SD 4.14Å; F56-M145 HydrophobicContact CG-CE 3.17Å; F56-M145 HydrophobicContact CG-CG 4.13Å; F56-M145 HydrophobicContact CG-SD 4.35Å; F56-M145 HydrophobicContact CZ-CE 3.77Å; F56-K146 CarbonylContact C-O 3.55Å; F56-K146 WeakPolarHBondContact CA-O 3.29Å; F56-K146 WeakPolarHBondContact CB-O 3.23Å
57R92.8Very high88.1Confident91 Ų9148.5 Ų48.534%0.34326%0.26SS..EExtended strand (participates in β ladder)trans-86.7125.1169-176175.1173.6-159.4-2.5108.2E7 I9 V59 M145 K146 L148E7-R57 IonicContact OE1-CZ 2.91Å; E7-R57 IonicContact OE1-NE 2.69Å; E7-R57 PolarHBondContact OE1-NE 3.23Å; E7-R57 IonicContact OE1-NH2 2.58Å; E7-R57 PolarHBondContact OE1-NH2 2.9Å; E7-R57 IonicContact OE2-NH2 3.14Å; I9-R57 HydrophobicContact CG1-CB 4.48Å; R57-V59 HydrophobicContact CG-CG2 4.44Å; R57-M145 WeakPolarHBondContact O-CA 3.12Å; R57-K146 PolarHBondContact N-O 3.21Å; R57-K146 PolarHBondContact O-N 3.2Å; R57-L148 HydrophobicContact CB-CD1 4.49Å; R57-L148 HydrophobicContact CB-CD2 4.4Å; R57-L148 HydrophobicContact CB-CG 4.46Å
58L92Very high87.1Confident0 Ų044.4 Ų44.40%025%0.246CC..EExtended strand (participates in β ladder)trans-114132.2175.8-177.6149.2000109.4F6 E7 D8 F10 L39 L41 F56 I60 L143 L144F6-L58 HydrophobicContact CD1-CD2 4.07Å; F6-L58 HydrophobicContact CE1-CD2 4.2Å; E7-L58 WeakPolarHBondContact CA-O 3.46Å; D8-L58 PolarHBondContact N-O 2.58Å; D8-L58 PolarHBondContact O-N 2.86Å; D8-L58 VanDerWaalsContact O-O 3.13Å; F10-L58 HydrophobicContact CD2-CB 3.89Å; F10-L58 HydrophobicContact CE2-CB 4.14Å; F10-L58 HydrophobicContact CE2-CD2 4.32Å; L39-L58 HydrophobicContact CD2-CD1 3.71Å; L41-L58 HydrophobicContact CD2-CD1 4.4Å; F56-L58 HydrophobicContact CD2-CB 4.07Å; F56-L58 HydrophobicContact CE2-CB 3.94Å; F56-L58 HydrophobicContact CE2-CD1 3.97Å; L58-I60 HydrophobicContact CD2-CD1 3.95Å; L58-I60 HydrophobicContact CD2-CG1 3.71Å; L58-L143 HydrophobicContact CD1-CD1 3.99Å; L58-L143 HydrophobicContact CD1-CG 4.28Å; L58-L143 HydrophobicContact CG-CG 4.4Å; L58-L144 WeakPolarHBondContact CA-O 3.16Å
59V91.9Very high86.4Confident4 Ų446.2 Ų46.22%0.02426%0.259CS..EExtended strand (participates in β ladder)trans-127.7133.6176.5179.10000108.7I4 F6 E7 R57 F88 L144I4-V59 HydrophobicContact CG1-CG1 4.43Å; I4-V59 HydrophobicContact CG2-CG1 3.97Å; F6-V59 CarbonylContact O-C 3.55Å; F6-V59 WeakPolarHBondContact O-CA 3.16Å; E7-V59 HydrophobicContact CB-CG2 4.13Å; E7-V59 HydrophobicContact CG-CG2 3.86Å; R57-V59 HydrophobicContact CG-CG2 4.44Å; V59-F88 HydrophobicContact CB-CE1 4.1Å; V59-F88 HydrophobicContact CB-CZ 4.02Å; V59-F88 HydrophobicContact CG2-CE1 3.66Å; V59-F88 HydrophobicContact CG2-CZ 3.6Å; V59-L144 HydrophobicContact CB-CB 4.37Å; V59-L144 HydrophobicContact CG1-CD1 4.44Å; V59-L144 PolarHBondContact N-O 2.69Å; V59-L144 PolarHBondContact O-N 3.38Å
60I91.1Very high85.5Confident0 Ų047.5 Ų47.50%027%0.267CS..EExtended strand (participates in β ladder)trans-113125.4171.6-58.9174.8000107.7L5 F6 L58 M123 F135 V141 Y142L5-I60 HydrophobicContact CB-CG2 4.42Å; L5-I60 HydrophobicContact CD1-CG2 4.35Å; L5-I60 PolarHBondContact N-O 3.01Å; F6-I60 HydrophobicContact CB-CB 4.17Å; F6-I60 HydrophobicContact CD1-CD1 4.22Å; F6-I60 PolarHBondContact N-O 2.9Å; F6-I60 VanDerWaalsContact N-O 3.13Å; F6-I60 PolarHBondContact O-N 2.98Å; L58-I60 HydrophobicContact CD2-CD1 3.95Å; L58-I60 HydrophobicContact CD2-CG1 3.71Å; I60-M123 HydrophobicContact CD1-CE 3.6Å; I60-M123 HydrophobicContact CD1-SD 4.25Å; I60-F135 HydrophobicContact CB-CZ 4.35Å; I60-F135 HydrophobicContact CD1-CE1 3.99Å; I60-F135 HydrophobicContact CD1-CZ 3.64Å; I60-F135 HydrophobicContact CG2-CE1 3.99Å; I60-F135 HydrophobicContact CG2-CZ 4.08Å; I60-V141 HydrophobicContact CG2-CB 3.9Å; I60-V141 HydrophobicContact CG2-CG1 4.2Å; I60-V141 HydrophobicContact CG2-CG2 4.43Å; I60-Y142 CarbonylContact C-O 3.59Å; I60-Y142 VanDerWaalsContact CA-O 3.28Å; I60-Y142 WeakPolarHBondContact CA-O 3.1Å
61A90.1Very high84.6Confident0 Ų048.8 Ų48.80%027%0.273CS..EExtended strand (participates in β ladder)trans-128149.4-179.200000110.9G3 T63 Y142 L144G3-A61 CarbonylContact O-C 3.5Å; G3-A61 WeakPolarHBondContact O-CA 3.48Å; G3-A61 WeakPolarHBondContact O-CB 3.34Å; A61-T63 WeakPolarHBondContact CB-O 3.43Å; A61-Y142 PolarHBondContact N-O 3.25Å; A61-Y142 PolarHBondContact O-N 3.17Å; A61-L144 HydrophobicContact CB-CD1 4.06Å
62S88.1Confident83.7Confident49 Ų4951.6 Ų51.634%0.34329%0.288SS..SBendtrans-81.8-19.7171.656.60000112.6G3G3-S62 PolarHBondContact O-N 2.94Å; G3-S62 PolarHBondContact O-OG 2.81Å
63T86.1Confident82.7Confident3 Ų348 Ų482%0.01828%0.279CS..  trans-145.2147.1179.4-179.60000111.4A61 Y65 T69A61-T63 WeakPolarHBondContact CB-O 3.43Å; T63-Y65 PolarHBondContact OG1-N 2.87Å; T63-T69 VanDerWaalsContact CB-O 3.29Å; T63-T69 WeakPolarHBondContact CB-O 3.3Å; T63-T69 PolarHBondContact OG1-O 3.07Å
64L83.4Confident82.1Confident22 Ų2253.5 Ų53.512%0.11529%0.292CS..SBendtrans-81.8-21174.2-70.2176.1000112.8R84 A85 V91 Y142 L144L64-R84 WeakPolarHBondContact O-CG 3.42Å; L64-R84 PolarHBondContact O-N 3.41Å; L64-A85 HydrophobicContact CD2-CB 4.29Å; L64-V91 HydrophobicContact CD2-CG1 4.45Å; L64-Y142 HydrophobicContact CD1-CD1 3.69Å; L64-Y142 HydrophobicContact CD1-CE1 3.4Å; L64-Y142 HydrophobicContact CD1-CG 4.42Å; L64-Y142 HydrophobicContact CD2-CD1 3.73Å; L64-Y142 HydrophobicContact CD2-CE1 4.3Å; L64-Y142 HydrophobicContact CD2-CG 3.86Å; L64-Y142 HydrophobicContact CG-CD1 3.57Å; L64-Y142 HydrophobicContact CG-CD2 4.1Å; L64-Y142 HydrophobicContact CG-CE1 3.65Å; L64-Y142 HydrophobicContact CG-CE2 4.19Å; L64-Y142 HydrophobicContact CG-CG 3.79Å; L64-L144 HydrophobicContact CD2-CD2 4.18Å
65Y81.9Confident81.3Confident53 Ų5360.1 Ų60.121%0.20832%0.316CS..BIsolated β-bridgetrans-75.4132-179-57.4-69.1000110.7T63 D67 G68 T69T63-Y65 PolarHBondContact OG1-N 2.87Å; Y65-D67 WeakPolarHBondContact CB-OD1 3.39Å; Y65-D67 PolarHBondContact O-N 2.85Å; Y65-G68 PolarHBondContact O-N 3.34Å; Y65-T69 VanDerWaalsContact CB-OG1 3.26Å; Y65-T69 WeakPolarHBondContact CB-OG1 3.44Å; Y65-T69 WeakPolarHBondContact CD2-OG1 3.36Å; Y65-T69 VanDerWaalsContact CG-OG1 3.3Å
66E75.6Confident80.6Confident104 Ų10461.7 Ų61.749%0.48633%0.326SS..THydrogen-bonded Turntrans-66.4-27-178.8-66.6-164.8130.300112.9G68 R84E66-G68 PolarHBondContact O-N 3.08Å; E66-R84 HydrophobicContact CG-CG 3.85Å; E66-R84 PolarHBondContact O-NH2 3.07Å
67D71.8Confident79.8Confident109 Ų10966.4 Ų66.458%0.58336%0.357SS*.THydrogen-bonded Turntrans-73.2-11.9179.2665.2000113.8Y65 T69Y65-D67 WeakPolarHBondContact CB-OD1 3.39Å; Y65-D67 PolarHBondContact O-N 2.85Å; D67-T69 WeakPolarHBondContact OD1-CB 3.25Å; D67-T69 WeakPolarHBondContact OD1-CG2 3.24Å; D67-T69 PolarHBondContact OD1-N 2.98Å; D67-T69 PolarHBondContact OD1-OG1 3.21Å; D67-T69 WeakPolarHBondContact OD2-CG2 3.16Å
68G69.9Low79Confident28 Ų2870.3 Ų70.329%0.28938%0.38SS..  trans80.514.1-178.900000114.2Y65 E66Y65-G68 PolarHBondContact O-N 3.34Å; E66-G68 PolarHBondContact O-N 3.08Å
69T75.9Confident78.2Confident54 Ų5472.9 Ų72.933%0.33139%0.393SS..PPolyproline II helixtrans-59.7131.8172.446.50000110T63 Y65 D67T63-T69 VanDerWaalsContact CB-O 3.29Å; T63-T69 WeakPolarHBondContact CB-O 3.3Å; T63-T69 PolarHBondContact OG1-O 3.07Å; Y65-T69 VanDerWaalsContact CB-OG1 3.26Å; Y65-T69 WeakPolarHBondContact CB-OG1 3.44Å; Y65-T69 WeakPolarHBondContact CD2-OG1 3.36Å; Y65-T69 VanDerWaalsContact CG-OG1 3.3Å; D67-T69 WeakPolarHBondContact OD1-CB 3.25Å; D67-T69 WeakPolarHBondContact OD1-CG2 3.24Å; D67-T69 PolarHBondContact OD1-N 2.98Å; D67-T69 PolarHBondContact OD1-OG1 3.21Å; D67-T69 WeakPolarHBondContact OD2-CG2 3.16Å
70P71.3Confident77.2Confident107 Ų10780.5 Ų80.570%0.69543%0.434SS*.PPolyproline II helixtrans-63.9141.4176.125.1-31000109.5D72P70-D72 PolarHBondContact O-N 2.49Å
71D70.5Confident76.5Confident37 Ų3787 Ų8720%0.19846%0.458CS..PPolyproline II helixtrans-71123.7179.6178.329.7000110.6G73 Y142D71-G73 PolarHBondContact O-N 2.96Å; D71-G73 PolarHBondContact OD1-N 3.35Å; D71-G73 VanDerWaalsContact OD1-N 3.12Å; D71-Y142 HydrophobicContact CB-CE2 4.43Å; D71-Y142 VanDerWaalsContact CG-OH 3.31Å; D71-Y142 PolarHBondContact OD2-OH 3.4Å
72D70.1Confident75.7Confident166 Ų16691.6 Ų91.689%0.88849%0.488SS*.  trans-70.7-5.9175.6-81.4-48.7000112.3P70 E74P70-D72 PolarHBondContact O-N 2.49Å; D72-E74 VanDerWaalsContact C-N 3.28Å
73G69.1Low75.4Confident40 Ų4090.5 Ų90.541%0.41248%0.481SS..SBendtrans79.811.5177.400000113.6D71D71-G73 PolarHBondContact O-N 2.96Å; D71-G73 PolarHBondContact OD1-N 3.35Å; D71-G73 VanDerWaalsContact OD1-N 3.12Å
74E76.8Confident75.2Confident160 Ų16091.4 Ų91.475%0.74848%0.484SS*.  trans-112.6109.5173-168.4167.7-161.400109D72 N76D72-E74 VanDerWaalsContact C-N 3.28Å; E74-N76 PolarHBondContact O-N 3.4Å
75Y75.3Confident75.2Confident181 Ų18191.5 Ų91.571%0.7149%0.488SS*.  trans-82.1110175.2179.4-107000109.3P77Y75-P77 HydrophobicContact CE1-CB 4.07Å; Y75-P77 WeakPolarHBondContact O-CD 3.36Å
76N77.7Confident75.3Confident86 Ų8694.7 Ų94.746%0.4651%0.508SS..  trans-99105.6176.4-170.512.5000110.6E74 Q78 D79E74-N76 PolarHBondContact O-N 3.4Å; N76-Q78 PolarHBondContact O-N 3.38Å; N76-Q78 VanDerWaalsContact O-N 3.17Å; N76-Q78 PolarHBondContact OD1-N 3.34Å; N76-D79 HydrophobicContact CB-CB 4.28Å; N76-D79 WeakPolarHBondContact O-CB 3.44Å; N76-D79 PolarHBondContact O-N 2.95Å; N76-D79 VanDerWaalsContact O-N 3.14Å
77P74.8Confident75.8Confident101 Ų10195 Ų9566%0.65651%0.51SS*.THydrogen-bonded Turntrans-70.4-10.3-177.728.8-35.6000113.7Y75Y75-P77 HydrophobicContact CE1-CB 4.07Å; Y75-P77 WeakPolarHBondContact O-CD 3.36Å
78Q75.4Confident76.6Confident173 Ų17391 Ų9181%0.80849%0.487SS*.THydrogen-bonded Turntrans-91.7-1.6175.3-64.4-166.7-19.800113.2N76 D80N76-Q78 PolarHBondContact O-N 3.38Å; N76-Q78 VanDerWaalsContact O-N 3.17Å; N76-Q78 PolarHBondContact OD1-N 3.34Å; Q78-D80 PolarHBondContact O-N 2.84Å
79D74.9Confident77.6Confident53 Ų5394.6 Ų94.628%0.28350%0.5SS..  trans-75.8107.8179.1-151.4-22.4000109.6N76 R81N76-D79 HydrophobicContact CB-CB 4.28Å; N76-D79 WeakPolarHBondContact O-CB 3.44Å; N76-D79 PolarHBondContact O-N 2.95Å; N76-D79 VanDerWaalsContact O-N 3.14Å; D79-R81 VanDerWaalsContact CG-NE 3.26Å; D79-R81 PolarHBondContact O-N 2.84Å; D79-R81 VanDerWaalsContact OD1-CG 3.23Å; D79-R81 WeakPolarHBondContact OD1-CG 3.27Å; D79-R81 IonicContact OD1-CZ 3.12Å; D79-R81 IonicContact OD1-NE 3.02Å; D79-R81 PolarHBondContact OD1-NE 2.87Å; D79-R81 IonicContact OD1-NH2 2.68Å; D79-R81 IonicContact OD2-CZ 2.59Å; D79-R81 IonicContact OD2-NE 3.77Å; D79-R81 PolarHBondContact OD2-NE 2.97Å; D79-R81 IonicContact OD2-NH2 2.66Å; D79-R81 PolarHBondContact OD2-NH2 2.75Å
80D70.6Confident78.4Confident165 Ų16592.9 Ų92.988%0.88249%0.487SS*.  trans-84.524.8179.3-162.128.8000111.8Q78Q78-D80 PolarHBondContact O-N 2.84Å
81R76.6Confident79.4Confident136 Ų13690.5 Ų90.551%0.51347%0.471SS..  trans-73.5134.4176.3-84.9-176.1-98.5-177.9-1.9109.3D79 S83D79-R81 VanDerWaalsContact CG-NE 3.26Å; D79-R81 PolarHBondContact O-N 2.84Å; D79-R81 VanDerWaalsContact OD1-CG 3.23Å; D79-R81 WeakPolarHBondContact OD1-CG 3.27Å; D79-R81 IonicContact OD1-CZ 3.12Å; D79-R81 IonicContact OD1-NE 3.02Å; D79-R81 PolarHBondContact OD1-NE 2.87Å; D79-R81 IonicContact OD1-NH2 2.68Å; D79-R81 IonicContact OD2-CZ 2.59Å; D79-R81 IonicContact OD2-NE 3.77Å; D79-R81 PolarHBondContact OD2-NE 2.97Å; D79-R81 IonicContact OD2-NH2 2.66Å; D79-R81 PolarHBondContact OD2-NH2 2.75Å; R81-S83 PolarHBondContact O-N 2.82Å; R81-S83 VanDerWaalsContact O-N 3.14Å
82P74.8Confident80.4Confident97 Ų9789.5 Ų89.563%0.6347%0.465SS*.  trans-59.6122.8175.425-32.6000108.9
83S80.8Confident81.5Confident26 Ų2685.8 Ų85.818%0.18244%0.439CS..BIsolated β-bridgetrans-118157.8-174.578.50000110.3R81 A85 D86R81-S83 PolarHBondContact O-N 2.82Å; R81-S83 VanDerWaalsContact O-N 3.14Å; S83-A85 PolarHBondContact O-N 3.13Å; S83-A85 WeakPolarHBondContact OG-CB 3.45Å; S83-A85 PolarHBondContact OG-N 2.8Å; S83-D86 PolarHBondContact N-OD2 3.03Å; S83-D86 PolarHBondContact O-N 2.84Å; S83-D86 VanDerWaalsContact OG-CG 3.32Å; S83-D86 PolarHBondContact OG-OD1 2.93Å; S83-D86 PolarHBondContact OG-OD2 3.09Å; S83-D86 VanDerWaalsContact OG-OD2 3.06Å
84R81.3Confident82.6Confident22 Ų2284.1 Ų84.18%0.08342%0.423CS..G310 helixtrans-62.8-29.3172-69.8-179.7178.5155.87.7112A2 L64 E66 D86 Q87 F88 L144A2-R84 VanDerWaalsContact O-CZ 3.22Å; A2-R84 PolarHBondContact O-NH1 2.84Å; A2-R84 PolarHBondContact O-NH2 3.47Å; L64-R84 WeakPolarHBondContact O-CG 3.42Å; L64-R84 PolarHBondContact O-N 3.41Å; E66-R84 HydrophobicContact CG-CG 3.85Å; E66-R84 PolarHBondContact O-NH2 3.07Å; R84-D86 PolarHBondContact O-N 2.78Å; R84-Q87 PolarHBondContact O-N 2.76Å; R84-F88 WeakPolarHBondContact O-CD2 3.49Å; R84-L144 HydrophobicContact CB-CD2 4.03Å
85A83.7Confident83.3Confident24 Ų2480.8 Ų80.820%0.19841%0.405CS..G310 helixtrans-58.8-32.4-178.900000112.4L64 S83 Q87 F88 V91L64-A85 HydrophobicContact CD2-CB 4.29Å; S83-A85 PolarHBondContact O-N 3.13Å; S83-A85 WeakPolarHBondContact OG-CB 3.45Å; S83-A85 PolarHBondContact OG-N 2.8Å; A85-Q87 PolarHBondContact O-N 2.79Å; A85-F88 PolarHBondContact O-N 2.8Å; A85-V91 HydrophobicContact CB-CG2 3.94Å
86D84.8Confident84.2Confident120 Ų12072.1 Ų72.164%0.64237%0.372SS*.G310 helixtrans-62.5-20.3-175.6-57.3-39.6000113.6S83 R84S83-D86 PolarHBondContact N-OD2 3.03Å; S83-D86 PolarHBondContact O-N 2.84Å; S83-D86 VanDerWaalsContact OG-CG 3.32Å; S83-D86 PolarHBondContact OG-OD1 2.93Å; S83-D86 PolarHBondContact OG-OD2 3.09Å; S83-D86 VanDerWaalsContact OG-OD2 3.06Å; R84-D86 PolarHBondContact O-N 2.78Å
87Q85.3Confident84.9Confident110 Ų11072.6 Ų72.651%0.51437%0.367SS..G310 helixtrans-92.2-11.2-179.8-61.6177.728.300113.4R84 A85 K146R84-Q87 PolarHBondContact O-N 2.76Å; A85-Q87 PolarHBondContact O-N 2.79Å; Q87-K146 WeakPolarHBondContact O-CD 3.35Å; Q87-K146 PolarHBondContact O-NZ 2.83Å
88F89.9Confident85.6Confident26 Ų2672.1 Ų72.111%0.11436%0.355CS..  trans-115.4149.8-175.3-65.5-96.8000111.1V59 R84 A85 V91 L144 K146V59-F88 HydrophobicContact CB-CE1 4.1Å; V59-F88 HydrophobicContact CB-CZ 4.02Å; V59-F88 HydrophobicContact CG2-CE1 3.66Å; V59-F88 HydrophobicContact CG2-CZ 3.6Å; R84-F88 WeakPolarHBondContact O-CD2 3.49Å; A85-F88 PolarHBondContact O-N 2.8Å; F88-V91 HydrophobicContact CB-CG2 4.46Å; F88-L144 HydrophobicContact CB-CB 4.01Å; F88-L144 HydrophobicContact CB-CD2 4.47Å; F88-L144 HydrophobicContact CD1-CB 3.7Å; F88-L144 HydrophobicContact CD2-CB 3.81Å; F88-L144 HydrophobicContact CD2-CD2 3.57Å; F88-L144 HydrophobicContact CD2-CG 4.35Å; F88-L144 HydrophobicContact CE1-CB 4.08Å; F88-L144 HydrophobicContact CE2-CB 4.18Å; F88-L144 HydrophobicContact CE2-CD2 3.98Å; F88-L144 HydrophobicContact CG-CB 3.57Å; F88-L144 HydrophobicContact CG-CD2 4.12Å; F88-L144 HydrophobicContact CZ-CB 4.31Å; F88-K146 HydrophobicContact CD1-CB 3.75Å; F88-K146 HydrophobicContact CE1-CB 4.39Å; F88-K146 HydrophobicContact CG-CB 4.49Å
89D90.8Very high86.2Confident103 Ų10366.5 Ų66.555%0.55133%0.33SS*.SBendtrans-88.2-24.6-174.1-56.9-42.5000112.1Y48 M145Y48-D89 HydrophobicContact CD2-CB 4.47Å; Y48-D89 HydrophobicContact CE2-CB 3.72Å; D89-M145 PolarHBondContact N-O 3.22Å; D89-M145 VanDerWaalsContact N-O 3.09Å
90Y91.5Very high86.7Confident17 Ų1767.4 Ų67.47%0.06733%0.333CS..EExtended strand (participates in β ladder)trans-136.8124.8-175.4-170.2-102.7000110.6V43 N44 I47 Y48 M92 L144 M145V43-Y90 HydrophobicContact CG1-CE1 4.49Å; N44-Y90 PolarHBondContact N-OH 2.79Å; I47-Y90 HydrophobicContact CD1-CD2 4.45Å; I47-Y90 HydrophobicContact CD1-CE2 3.74Å; I47-Y90 HydrophobicContact CG1-CE2 3.98Å; Y48-Y90 HydrophobicContact CD1-CD2 4.47Å; Y48-Y90 HydrophobicContact CD1-CG 4.34Å; Y48-Y90 HydrophobicContact CD2-CD2 4.31Å; Y48-Y90 HydrophobicContact CD2-CG 4.44Å; Y48-Y90 AromaticContact CG-CD2 3.89Å; Y48-Y90 HydrophobicContact CG-CD2 3.89Å; Y48-Y90 HydrophobicContact CG-CG 4.1Å; Y90-M92 HydrophobicContact CD1-CE 4.46Å; Y90-M92 HydrophobicContact CD1-CG 4.19Å; Y90-M92 HydrophobicContact CE1-CE 3.66Å; Y90-M92 HydrophobicContact CE1-CG 3.5Å; Y90-M92 HydrophobicContact CE1-SD 3.44Å; Y90-M92 WeakPolarHBondContact CE1-SD 3.45Å; Y90-M92 PolarHBondContact OH-SD 2.98Å; Y90-M92 VanDerWaalsContact OH-SD 3.4Å; Y90-L144 CarbonylContact O-C 3.54Å; Y90-L144 WeakPolarHBondContact O-CA 3.34Å; Y90-M145 HydrophobicContact CD1-CB 4.39Å; Y90-M145 HydrophobicContact CD1-SD 4.45Å; Y90-M145 PolarHBondContact N-O 3.43Å; Y90-M145 PolarHBondContact O-N 3.12Å
91V92.2Very high87Confident58 Ų5861.6 Ų61.635%0.35231%0.311SS..EExtended strand (participates in β ladder)trans-130.7134.6-177.3-178.20000110.1L64 A85 F88 L143 L144L64-V91 HydrophobicContact CD2-CG1 4.45Å; A85-V91 HydrophobicContact CB-CG2 3.94Å; F88-V91 HydrophobicContact CB-CG2 4.46Å; V91-L143 CarbonylContact C-O 3.57Å; V91-L143 VanDerWaalsContact CA-O 3.25Å; V91-L143 WeakPolarHBondContact CA-O 3.38Å; V91-L144 HydrophobicContact CG1-CG 4.46Å; V91-L144 HydrophobicContact CG2-CD2 4.29Å; V91-L144 HydrophobicContact CG2-CG 4.29Å
92M93Very high86.4Confident15 Ų1558 Ų587%0.07430%0.303CS..EExtended strand (participates in β ladder)trans-130.9146.2176-62.9-168.8-69.100110.9L41 Y90 Y118 L121 Y142 L143L41-M92 HydrophobicContact CD1-CE 3.91Å; L41-M92 HydrophobicContact CD2-CE 4.35Å; L41-M92 HydrophobicContact CG-CE 4.45Å; Y90-M92 HydrophobicContact CD1-CE 4.46Å; Y90-M92 HydrophobicContact CD1-CG 4.19Å; Y90-M92 HydrophobicContact CE1-CE 3.66Å; Y90-M92 HydrophobicContact CE1-CG 3.5Å; Y90-M92 HydrophobicContact CE1-SD 3.44Å; Y90-M92 WeakPolarHBondContact CE1-SD 3.45Å; Y90-M92 PolarHBondContact OH-SD 2.98Å; Y90-M92 VanDerWaalsContact OH-SD 3.4Å; M92-Y118 HydrophobicContact CB-CD1 3.56Å; M92-Y118 HydrophobicContact CB-CE1 4.23Å; M92-Y118 HydrophobicContact CB-CG 3.9Å; M92-Y118 HydrophobicContact CE-CD2 4.03Å; M92-Y118 HydrophobicContact CE-CE2 4.39Å; M92-Y118 HydrophobicContact CE-CG 4.2Å; M92-Y118 HydrophobicContact SD-CG 4.3Å; M92-L121 HydrophobicContact SD-CD1 3.82Å; M92-Y142 CarbonylContact O-C 3.45Å; M92-Y142 WeakPolarHBondContact O-CA 3.35Å; M92-L143 HydrophobicContact CB-CB 4.36Å; M92-L143 HydrophobicContact CE-CD1 3.78Å; M92-L143 HydrophobicContact CE-CD2 3.7Å; M92-L143 HydrophobicContact CE-CG 4.21Å; M92-L143 PolarHBondContact N-O 3.23Å; M92-L143 PolarHBondContact O-N 3.31Å
93Y92.3Very high85.4Confident88 Ų8862.3 Ų62.335%0.34531%0.314SS..EExtended strand (participates in β ladder)trans-112.8132.3173.1179.6-109.2000110.4Y118 R140 Y142Y93-Y118 WeakPolarHBondContact O-CA 3.5Å; Y93-R140 HydrophobicContact CE2-CB 3.96Å; Y93-R140 HydrophobicContact CE2-CG 4.5Å; Y93-R140 WeakPolarHBondContact OH-CD 3.25Å; Y93-R140 WeakPolarHBondContact OH-CG 3.45Å; Y93-R140 PolarHBondContact OH-NH1 2.77Å; Y93-Y142 AromaticContact CD2-CD1 3.7Å; Y93-Y142 HydrophobicContact CD2-CD1 3.7Å; Y93-Y142 HydrophobicContact CD2-CD2 4.13Å; Y93-Y142 AromaticContact CD2-CE1 3.27Å; Y93-Y142 HydrophobicContact CD2-CE1 3.27Å; Y93-Y142 AromaticContact CD2-CE2 3.75Å; Y93-Y142 HydrophobicContact CD2-CE2 3.75Å; Y93-Y142 HydrophobicContact CD2-CG 4.11Å; Y93-Y142 AromaticContact CD2-CZ 3.3Å; Y93-Y142 HydrophobicContact CE2-CD2 4.34Å; Y93-Y142 AromaticContact CE2-CE1 3.94Å; Y93-Y142 HydrophobicContact CE2-CE1 3.94Å; Y93-Y142 AromaticContact CE2-CE2 3.66Å; Y93-Y142 HydrophobicContact CE2-CE2 3.66Å; Y93-Y142 AromaticContact CE2-CZ 3.44Å; Y93-Y142 VanDerWaalsContact CE2-CZ 3.44Å; Y93-Y142 WeakPolarHBondContact CE2-OH 3.37Å; Y93-Y142 HydrophobicContact CG-CD1 4.44Å; Y93-Y142 HydrophobicContact CG-CE1 4.01Å
94G92.3Very high84.2Confident6 Ų666.6 Ų66.66%0.06234%0.34CS..EExtended strand (participates in β ladder)trans-155.1-179.3-172.700000113.5S117 R140 V141G94-S117 CarbonylContact C-O 3.5Å; G94-S117 WeakPolarHBondContact CA-O 3.47Å; G94-R140 WeakPolarHBondContact O-CA 3.4Å; G94-V141 PolarHBondContact N-O 3.44Å; G94-V141 PolarHBondContact O-N 2.83Å
95K92.3Very high82.5Confident89 Ų8968.5 Ų68.539%0.38736%0.356SS..EExtended strand (participates in β ladder)trans-129.3136.3178.6-164-175.671.3160.40110.4Y97 V116 S117 D138 S139K95-Y97 PolarHBondContact O-N 3.47Å; K95-V116 WeakPolarHBondContact O-CG1 3.28Å; K95-S117 PolarHBondContact N-O 3.13Å; K95-S117 PolarHBondContact O-N 2.77Å; K95-D138 WeakPolarHBondContact CE-OD1 3.47Å; K95-D138 IonicContact NZ-OD1 2.76Å; K95-D138 PolarHBondContact NZ-OD1 3.3Å; K95-S139 WeakPolarHBondContact CA-O 3.41Å; K95-S139 VanDerWaalsContact CG-O 3.32Å; K95-S139 WeakPolarHBondContact CG-O 3.35Å
96V92.6Very high80.9Confident0 Ų074.4 Ų74.40%039%0.39CS..EExtended strand (participates in β ladder)trans-71.7117.7168.7-174.10000107.6I99 V116 F135 E136 D138 S139 V141V96-I99 HydrophobicContact CG1-CD1 4.1Å; V96-I99 HydrophobicContact CG1-CG1 3.85Å; V96-V116 HydrophobicContact CG2-CG1 4.46Å; V96-V116 HydrophobicContact CG2-CG2 4.1Å; V96-F135 HydrophobicContact CG2-CD1 3.9Å; V96-E136 WeakPolarHBondContact CB-O 3.43Å; V96-D138 WeakPolarHBondContact O-CA 3.5Å; V96-D138 PolarHBondContact O-N 3.3Å; V96-S139 WeakPolarHBondContact CG2-OG 3.08Å; V96-S139 PolarHBondContact N-O 2.99Å; V96-V141 HydrophobicContact CG2-CG1 4.02Å; V96-V141 HydrophobicContact CG2-CG2 4.17Å
97Y92.8Very high79.1Confident95 Ų9578.2 Ų78.237%0.37340%0.404SS..EExtended strand (participates in β ladder)trans-108.5-22.2-175.675.7-89.8000113K95 Y115 L122K95-Y97 PolarHBondContact O-N 3.47Å; Y97-Y115 WeakPolarHBondContact CD1-O 3.21Å; Y97-Y115 VanDerWaalsContact CE1-CB 3.4Å; Y97-Y115 VanDerWaalsContact CZ-CB 3.45Å; Y97-Y115 PolarHBondContact N-O 2.83Å; Y97-Y115 VanDerWaalsContact N-O 3.07Å; Y97-Y115 WeakPolarHBondContact OH-CB 3.16Å; Y97-L122 HydrophobicContact CE1-CD2 4.35Å
98K89.6Confident77.3Confident91 Ų9175.6 Ų75.640%0.39640%0.401SS..EExtended strand (participates in β ladder)trans-150.6139.2-178.8-167.7-176.8-164.7-168.60109.9E100 Y115K98-E100 HydrophobicContact CD-CG 4.14Å; K98-E100 WeakPolarHBondContact CE-OE1 3.38Å; K98-E100 HydrophobicContact CG-CG 4.25Å; K98-E100 IonicContact NZ-OE1 3.79Å; K98-E100 PolarHBondContact NZ-OE1 3.28Å; K98-Y115 HydrophobicContact CB-CD2 4.02Å; K98-Y115 HydrophobicContact CB-CG 4.39Å; K98-Y115 HydrophobicContact CD-CD2 4.2Å; K98-Y115 HydrophobicContact CD-CE2 4.36Å; K98-Y115 HydrophobicContact CG-CD2 4.19Å; K98-Y115 PolarHBondContact O-N 2.59Å
99I88.3Confident75.5Confident55 Ų5578.3 Ų78.328%0.28243%0.428SS..EExtended strand (participates in β ladder)trans-128126.8168.8-57.1174.3000105.7V96 L112 S113 F135 V137V96-I99 HydrophobicContact CG1-CD1 4.1Å; V96-I99 HydrophobicContact CG1-CG1 3.85Å; I99-L112 HydrophobicContact CG2-CD2 3.82Å; I99-S113 WeakPolarHBondContact CA-O 3.35Å; I99-F135 HydrophobicContact CD1-CB 4.04Å; I99-F135 WeakPolarHBondContact CD1-O 3.47Å; I99-V137 HydrophobicContact CB-CG2 4.37Å; I99-V137 HydrophobicContact CD1-CG2 3.95Å; I99-V137 HydrophobicContact CG1-CG2 3.99Å
100E85.8Confident74.4Confident73 Ų7377 Ų7734%0.34142%0.424SS..EExtended strand (participates in β ladder)trans-116127.7176.1-73.5-177147.400109.3K98 S113 Y115K98-E100 HydrophobicContact CD-CG 4.14Å; K98-E100 WeakPolarHBondContact CE-OE1 3.38Å; K98-E100 HydrophobicContact CG-CG 4.25Å; K98-E100 IonicContact NZ-OE1 3.79Å; K98-E100 PolarHBondContact NZ-OE1 3.28Å; E100-S113 PolarHBondContact N-O 3.33Å; E100-S113 PolarHBondContact O-N 3.05Å; E100-Y115 HydrophobicContact CB-CE2 4.24Å; E100-Y115 HydrophobicContact CG-CE2 4.03Å; E100-Y115 VanDerWaalsContact OE2-CE2 3.22Å; E100-Y115 WeakPolarHBondContact OE2-CE2 3.34Å; E100-Y115 PolarHBondContact OE2-OH 2.89Å
101G76.6Confident73.6Confident42 Ų4281 Ų8143%0.43344%0.439SS..EExtended strand (participates in β ladder)trans-86.3142.5163.100000109.4E103G101-E103 PolarHBondContact O-N 2.97Å
102D64.5Low73.3Confident62 Ų6280.5 Ų80.533%0.33243%0.434SS..  trans-74.293.7172.7-164.73.8000109.8T104 R111D102-T104 PolarHBondContact O-N 3.33Å; D102-T104 PolarHBondContact OD1-N 2.9Å; D102-T104 PolarHBondContact OD1-OG1 2.91Å; D102-R111 PolarHBondContact N-O 3.02Å; D102-R111 VanDerWaalsContact N-O 3.1Å
103E54Low73.1Confident186 Ų18680.4 Ų80.487%0.86944%0.435SS*.THydrogen-bonded Turntrans-78.7-2.2178.8-68.3-172.712100113.1G101 S105G101-E103 PolarHBondContact O-N 2.97Å; E103-S105 VanDerWaalsContact C-N 3.34Å; E103-S105 PolarHBondContact O-N 3.36Å
104T54.1Low73Confident117 Ų11776.2 Ų76.272%0.71842%0.419SS*.THydrogen-bonded Turntrans-78.9-9.5-171.955.60000115.3D102D102-T104 PolarHBondContact O-N 3.33Å; D102-T104 PolarHBondContact OD1-N 2.9Å; D102-T104 PolarHBondContact OD1-OG1 2.91Å
105S46.8Very low73.1Confident61 Ų6178 Ų7843%0.42742%0.424SS..  trans-125.2106.6-179.2-67.40000112.2E103 E107 A108E103-S105 VanDerWaalsContact C-N 3.34Å; E103-S105 PolarHBondContact O-N 3.36Å; S105-E107 PolarHBondContact O-N 2.88Å; S105-A108 PolarHBondContact O-N 2.95Å
106T50.4Low73.2Confident148 Ų14873.8 Ų73.891%0.90841%0.406SS*.THydrogen-bonded Turntrans-61.90-177-37.90000114.7
107E46Very low73.3Confident200 Ų20075.5 Ų75.594%0.93542%0.418SS*.THydrogen-bonded Turntrans-132.61.8179-65.6-165.9101.400114.8S105S105-E107 PolarHBondContact O-N 2.88Å
108A47.8Very low73.3Confident56 Ų5671.5 Ų71.546%0.46340%0.402SS..  trans-149.952.5-177.300000113.1S105 T110S105-A108 PolarHBondContact O-N 2.95Å; A108-T110 PolarHBondContact O-N 2.85Å
109A52.9Low73.3Confident82 Ų8271.2 Ų71.268%0.67843%0.425SS*.THydrogen-bonded Turntrans-70.444.7171.400000112.5
110T66.6Low73.4Confident77 Ų7771.2 Ų71.247%0.47244%0.439SS..THydrogen-bonded Turntrans-97.5-16.617953.90000112.7A108 D128 A129A108-T110 PolarHBondContact O-N 2.85Å; T110-D128 CarbonylContact O-C 3.51Å; T110-D128 VanDerWaalsContact O-CA 3.27Å; T110-D128 WeakPolarHBondContact O-CA 3.33Å; T110-A129 PolarHBondContact O-N 3.36Å
111R74.8Confident73.7Confident99 Ų9969.4 Ų69.437%0.37443%0.431SS..EExtended strand (participates in β ladder)trans-91.8125.8178.5-76-174.7164.9-157.8-12.1112.2D102 G127D102-R111 PolarHBondContact N-O 3.02Å; D102-R111 VanDerWaalsContact N-O 3.1Å; R111-G127 CarbonylContact C-O 3.55Å; R111-G127 WeakPolarHBondContact CA-O 3.48Å
112L86.3Confident74.5Confident49 Ų4970.8 Ų70.826%0.25743%0.428SS..EExtended strand (participates in β ladder)trans-117.5144.4175.9-87.7156000109.5I99 Q126 G127 A129 L132I99-L112 HydrophobicContact CG2-CD2 3.82Å; L112-Q126 WeakPolarHBondContact O-CA 3.49Å; L112-G127 PolarHBondContact N-O 3.25Å; L112-G127 PolarHBondContact O-N 3.06Å; L112-A129 HydrophobicContact CD1-CB 3.55Å; L112-L132 HydrophobicContact CB-CD2 3.98Å
113S88.6Confident75.9Confident13 Ų1368 Ų689%0.09141%0.413CS..EExtended strand (participates in β ladder)trans-117.3111.3173.8-60.30000109.4I99 E100 L125 Q126I99-S113 WeakPolarHBondContact CA-O 3.35Å; E100-S113 PolarHBondContact N-O 3.33Å; E100-S113 PolarHBondContact O-N 3.05Å; S113-L125 CarbonylContact C-O 3.5Å; S113-L125 WeakPolarHBondContact CA-O 3.41Å; S113-Q126 WeakPolarHBondContact OG-CG 3.24Å
114A90.9Very high77.7Confident0 Ų063.1 Ų63.10%039%0.386CS..EExtended strand (participates in β ladder)trans-94.4133.3172.400000110.3R124 L125 L132 F135A114-R124 WeakPolarHBondContact O-CA 3.19Å; A114-L125 PolarHBondContact N-O 3.38Å; A114-L125 PolarHBondContact O-N 2.66Å; A114-L132 HydrophobicContact CB-CD2 3.71Å; A114-F135 HydrophobicContact CB-CD1 4.36Å; A114-F135 HydrophobicContact CB-CG 4.32Å
115Y92.9Very high79.5Confident42 Ų4257.5 Ų57.517%0.16535%0.352CS..EExtended strand (participates in β ladder)trans-114.5127.3175.3-57.3-98.4000110.7Y97 K98 E100 M123 R124Y97-Y115 WeakPolarHBondContact CD1-O 3.21Å; Y97-Y115 VanDerWaalsContact CE1-CB 3.4Å; Y97-Y115 VanDerWaalsContact CZ-CB 3.45Å; Y97-Y115 PolarHBondContact N-O 2.83Å; Y97-Y115 VanDerWaalsContact N-O 3.07Å; Y97-Y115 WeakPolarHBondContact OH-CB 3.16Å; K98-Y115 HydrophobicContact CB-CD2 4.02Å; K98-Y115 HydrophobicContact CB-CG 4.39Å; K98-Y115 HydrophobicContact CD-CD2 4.2Å; K98-Y115 HydrophobicContact CD-CE2 4.36Å; K98-Y115 HydrophobicContact CG-CD2 4.19Å; K98-Y115 PolarHBondContact O-N 2.59Å; E100-Y115 HydrophobicContact CB-CE2 4.24Å; E100-Y115 HydrophobicContact CG-CE2 4.03Å; E100-Y115 VanDerWaalsContact OE2-CE2 3.22Å; E100-Y115 WeakPolarHBondContact OE2-CE2 3.34Å; E100-Y115 PolarHBondContact OE2-OH 2.89Å; Y115-M123 VanDerWaalsContact CA-O 3.3Å; Y115-M123 WeakPolarHBondContact CA-O 3.33Å; Y115-R124 HydrophobicContact CD1-CB 3.98Å; Y115-R124 HydrophobicContact CD1-CG 3.81Å; Y115-R124 HydrophobicContact CE1-CB 4.06Å; Y115-R124 VanDerWaalsContact CE1-CD 3.41Å; Y115-R124 HydrophobicContact CE1-CG 3.51Å
116V94.3Very high81.5Confident1 Ų156.5 Ų56.51%0.00634%0.341CS..EExtended strand (participates in β ladder)trans-123.8142.7-177.6-164.50000109.1K95 V96 Y118 M123 V141K95-V116 WeakPolarHBondContact O-CG1 3.28Å; V96-V116 HydrophobicContact CG2-CG1 4.46Å; V96-V116 HydrophobicContact CG2-CG2 4.1Å; V116-Y118 HydrophobicContact CB-CE2 3.97Å; V116-Y118 HydrophobicContact CG1-CD2 4.46Å; V116-Y118 HydrophobicContact CG1-CE1 4.03Å; V116-Y118 HydrophobicContact CG1-CE2 3.81Å; V116-M123 HydrophobicContact CB-CB 4.15Å; V116-M123 HydrophobicContact CB-SD 4.33Å; V116-M123 HydrophobicContact CG2-SD 4.24Å; V116-M123 PolarHBondContact N-O 3.15Å; V116-M123 PolarHBondContact O-N 3.19Å; V116-V141 HydrophobicContact CG1-CG2 3.52Å
117S94.5Very high83.2Confident36 Ų3649.6 Ų49.625%0.25230%0.299SS..EExtended strand (participates in β ladder)trans-119.7120174.7-178.70000110.3G94 K95 G120G94-S117 CarbonylContact C-O 3.5Å; G94-S117 WeakPolarHBondContact CA-O 3.47Å; K95-S117 PolarHBondContact N-O 3.13Å; K95-S117 PolarHBondContact O-N 2.77Å; S117-G120 PolarHBondContact OG-N 2.91Å
118Y93.7Very high85Confident12 Ų1243.1 Ų43.15%0.04727%0.27CS..EExtended strand (participates in β ladder)trans-100.969.7177.1-58.3-82.1000109.5L41 M92 Y93 V116 G120 L121 M123 V141 L143L41-Y118 HydrophobicContact CD1-CE2 4.33Å; M92-Y118 HydrophobicContact CB-CD1 3.56Å; M92-Y118 HydrophobicContact CB-CE1 4.23Å; M92-Y118 HydrophobicContact CB-CG 3.9Å; M92-Y118 HydrophobicContact CE-CD2 4.03Å; M92-Y118 HydrophobicContact CE-CE2 4.39Å; M92-Y118 HydrophobicContact CE-CG 4.2Å; M92-Y118 HydrophobicContact SD-CG 4.3Å; Y93-Y118 WeakPolarHBondContact O-CA 3.5Å; V116-Y118 HydrophobicContact CB-CE2 3.97Å; V116-Y118 HydrophobicContact CG1-CD2 4.46Å; V116-Y118 HydrophobicContact CG1-CE1 4.03Å; V116-Y118 HydrophobicContact CG1-CE2 3.81Å; Y118-G120 VanDerWaalsContact C-N 3.28Å; Y118-G120 PolarHBondContact O-N 2.8Å; Y118-L121 PolarHBondContact N-O 3.44Å; Y118-L121 PolarHBondContact O-N 2.88Å; Y118-M123 HydrophobicContact CD2-CB 4.3Å; Y118-M123 HydrophobicContact CE2-CB 3.71Å; Y118-M123 HydrophobicContact CE2-CG 4.34Å; Y118-M123 HydrophobicContact CE2-SD 3.74Å; Y118-M123 PolarHBondContact OH-SD 2.61Å; Y118-M123 VanDerWaalsContact OH-SD 3.38Å; Y118-V141 HydrophobicContact CE1-CG2 4.34Å; Y118-L143 HydrophobicContact CD1-CB 4.43Å; Y118-L143 HydrophobicContact CE1-CB 3.57Å; Y118-L143 HydrophobicContact CE1-CD1 4.47Å; Y118-L143 HydrophobicContact CE2-CB 4.42Å; Y118-L143 HydrophobicContact CE2-CD1 3.83Å; Y118-L143 WeakPolarHBondContact OH-CB 3.26Å
119G89.3Confident86.3Confident85 Ų8542 Ų4288%0.87626%0.262SS*.THydrogen-bonded Turntrans65.727.118000000114.6
120G89.9Confident87.4Confident55 Ų5544.8 Ų44.857%0.56727%0.265SS*.THydrogen-bonded Turntrans113.1-18.2-178.100000114.1S117 Y118S117-G120 PolarHBondContact OG-N 2.91Å; Y118-G120 VanDerWaalsContact C-N 3.28Å; Y118-G120 PolarHBondContact O-N 2.8Å
121L91.9Very high87.6Confident35 Ų3543.2 Ų43.218%0.18325%0.254CS..EExtended strand (participates in β ladder)trans-78.3120.9167.7-62.5174000109V25 D42 M92 Y118V25-L121 HydrophobicContact CB-CD2 4.48Å; V25-L121 HydrophobicContact CG1-CD2 3.57Å; V25-L121 HydrophobicContact CG2-CD2 4.01Å; D42-L121 HydrophobicContact CB-CB 4.03Å; D42-L121 HydrophobicContact CB-CD2 3.85Å; M92-L121 HydrophobicContact SD-CD1 3.82Å; Y118-L121 PolarHBondContact N-O 3.44Å; Y118-L121 PolarHBondContact O-N 2.88Å
122L93.5Very high87.6Confident70 Ų7039 Ų3937%0.36624%0.239SC..EExtended strand (participates in β ladder)trans-92.3145.3-175-60.3177.8000111D42 Y97D42-L122 PolarHBondContact N-O 3.29Å; D42-L122 PolarHBondContact OD2-N 2.86Å; Y97-L122 HydrophobicContact CE1-CD2 4.35Å
123M94.6Very high86.8Confident3 Ų344.4 Ų44.42%0.01526%0.262CS..EExtended strand (participates in β ladder)trans-129.9140171.6178.4-171.3172.800109.4L39 I40 L41 I60 Y115 V116 Y118 L125 L143L39-M123 HydrophobicContact CD1-CE 3.35Å; L39-M123 HydrophobicContact CD1-CG 3.88Å; L39-M123 HydrophobicContact CD1-SD 4.34Å; I40-M123 CarbonylContact O-C 3.58Å; I40-M123 VanDerWaalsContact O-CA 3.23Å; I40-M123 WeakPolarHBondContact O-CA 3.43Å; L41-M123 HydrophobicContact CD1-CB 3.68Å; L41-M123 HydrophobicContact CD1-CG 3.8Å; L41-M123 HydrophobicContact CD1-SD 4.26Å; I60-M123 HydrophobicContact CD1-CE 3.6Å; I60-M123 HydrophobicContact CD1-SD 4.25Å; Y115-M123 VanDerWaalsContact CA-O 3.3Å; Y115-M123 WeakPolarHBondContact CA-O 3.33Å; V116-M123 HydrophobicContact CB-CB 4.15Å; V116-M123 HydrophobicContact CB-SD 4.33Å; V116-M123 HydrophobicContact CG2-SD 4.24Å; V116-M123 PolarHBondContact N-O 3.15Å; V116-M123 PolarHBondContact O-N 3.19Å; Y118-M123 HydrophobicContact CD2-CB 4.3Å; Y118-M123 HydrophobicContact CE2-CB 3.71Å; Y118-M123 HydrophobicContact CE2-CG 4.34Å; Y118-M123 HydrophobicContact CE2-SD 3.74Å; Y118-M123 PolarHBondContact OH-SD 2.61Å; Y118-M123 VanDerWaalsContact OH-SD 3.38Å; M123-L125 HydrophobicContact CE-CB 3.82Å; M123-L125 HydrophobicContact CE-CD2 4.35Å; M123-L125 HydrophobicContact CE-CG 4.47Å; M123-L143 HydrophobicContact SD-CD1 3.9Å
124R92.9Very high85.9Confident84 Ų8445.3 Ų45.332%0.31727%0.274SS..EExtended strand (participates in β ladder)trans-127.5119.6167.6-173.5-177.478.2-179.16.9108.8L39 I40 A114 Y115L39-R124 WeakPolarHBondContact CA-O 3.45Å; I40-R124 HydrophobicContact CB-CB 4.26Å; I40-R124 VanDerWaalsContact CD1-CZ 3.49Å; I40-R124 PolarHBondContact N-O 2.92Å; I40-R124 PolarHBondContact O-N 3.18Å; A114-R124 WeakPolarHBondContact O-CA 3.19Å; Y115-R124 HydrophobicContact CD1-CB 3.98Å; Y115-R124 HydrophobicContact CD1-CG 3.81Å; Y115-R124 HydrophobicContact CE1-CB 4.06Å; Y115-R124 VanDerWaalsContact CE1-CD 3.41Å; Y115-R124 HydrophobicContact CE1-CG 3.51Å
125L91.2Very high85.4Confident0 Ų046.1 Ų46.10%028%0.277CS..EExtended strand (participates in β ladder)trans-111.3118.2172.4-176.765.3000108.8F6 F10 M37 L39 S113 A114 M123 F135F6-L125 HydrophobicContact CD1-CD2 4.1Å; F6-L125 HydrophobicContact CE1-CD1 4.4Å; F6-L125 HydrophobicContact CE1-CD2 4.03Å; F6-L125 HydrophobicContact CG-CD2 4.36Å; F6-L125 HydrophobicContact CZ-CD1 4.49Å; F6-L125 HydrophobicContact CZ-CD2 4.27Å; F10-L125 HydrophobicContact CE1-CD1 4.31Å; F10-L125 HydrophobicContact CZ-CD1 3.88Å; M37-L125 HydrophobicContact SD-CD1 4.39Å; L39-L125 HydrophobicContact CB-CD1 4.4Å; L39-L125 HydrophobicContact CD1-CD1 4.25Å; S113-L125 CarbonylContact C-O 3.5Å; S113-L125 WeakPolarHBondContact CA-O 3.41Å; A114-L125 PolarHBondContact N-O 3.38Å; A114-L125 PolarHBondContact O-N 2.66Å; M123-L125 HydrophobicContact CE-CB 3.82Å; M123-L125 HydrophobicContact CE-CD2 4.35Å; M123-L125 HydrophobicContact CE-CG 4.47Å; L125-F135 HydrophobicContact CD2-CE2 4.37Å; L125-F135 HydrophobicContact CD2-CZ 4.25Å
126Q89.6Confident85Confident40 Ų4050.9 Ų50.919%0.18730%0.301CS..EExtended strand (participates in β ladder)trans-114.5125.7177.5-176.4173.32.600109.6M37 D38 L112 S113M37-Q126 VanDerWaalsContact CA-O 3.28Å; M37-Q126 WeakPolarHBondContact CA-O 3.36Å; M37-Q126 WeakPolarHBondContact CB-O 3.32Å; D38-Q126 HydrophobicContact CB-CB 4.4Å; D38-Q126 PolarHBondContact N-O 2.91Å; D38-Q126 PolarHBondContact O-N 2.88Å; L112-Q126 WeakPolarHBondContact O-CA 3.49Å; S113-Q126 WeakPolarHBondContact OG-CG 3.24Å
127G86.1Confident84.6Confident2 Ų254.6 Ų54.62%0.02132%0.324CS..EExtended strand (participates in β ladder)trans-168.3-175.4-175.900000112.8R111 L112R111-G127 CarbonylContact C-O 3.55Å; R111-G127 WeakPolarHBondContact CA-O 3.48Å; L112-G127 PolarHBondContact N-O 3.25Å; L112-G127 PolarHBondContact O-N 3.06Å
128D82.6Confident84.2Confident64 Ų6457.9 Ų57.934%0.34234%0.338SS..EExtended strand (participates in β ladder)trans-72.5145.8176.8-75-48.2000112.2T110 N130 N131 L132T110-D128 CarbonylContact O-C 3.51Å; T110-D128 VanDerWaalsContact O-CA 3.27Å; T110-D128 WeakPolarHBondContact O-CA 3.33Å; D128-N130 PolarHBondContact O-N 3.36Å; D128-N130 VanDerWaalsContact O-N 3.13Å; D128-N131 PolarHBondContact O-N 3.04Å; D128-L132 WeakPolarHBondContact O-CD1 3.49Å; D128-L132 PolarHBondContact O-N 3.29Å
129A75.4Confident83.9Confident34 Ų3458.5 Ų58.528%0.28135%0.345SS..THydrogen-bonded Turntrans-53.4-36.7-17600000114.1T110 L112 N131 L132 H133T110-A129 PolarHBondContact O-N 3.36Å; L112-A129 HydrophobicContact CD1-CB 3.55Å; A129-N131 PolarHBondContact O-N 2.68Å; A129-L132 PolarHBondContact O-N 3.3Å; A129-H133 PolarHBondContact O-N 3.37Å
130N75.8Confident83.9Confident139 Ų13961.3 Ų61.374%0.74333%0.329SS*.THydrogen-bonded Turntrans-63.9-30.2-179-65.6-33.2000112.4D128 H133D128-N130 PolarHBondContact O-N 3.36Å; D128-N130 VanDerWaalsContact O-N 3.13Å; N130-H133 WeakPolarHBondContact O-CB 3.5Å
131N71.7Confident84Confident44 Ų4458.7 Ų58.724%0.23530%0.302CS..THydrogen-bonded Turntrans-92.6-16.9-176.3-6330.2000112.2F35 M37 D128 A129 H133F35-N131 WeakPolarHBondContact CD1-ND2 3.25Å; F35-N131 WeakPolarHBondContact CG-ND2 3.47Å; M37-N131 HydrophobicContact CE-CB 3.17Å; M37-N131 WeakPolarHBondContact CE-ND2 3.49Å; D128-N131 PolarHBondContact O-N 3.04Å; A129-N131 PolarHBondContact O-N 2.68Å; N131-H133 VanDerWaalsContact C-N 3.27Å
132L74.4Confident84Confident12 Ų1257.9 Ų57.96%0.06330%0.296CS..THydrogen-bonded Turntrans-92.314.9172.1-80.178.1000111.9M37 L112 A114 D128 A129 G134 F135M37-L132 HydrophobicContact CE-CD1 4.43Å; L112-L132 HydrophobicContact CB-CD2 3.98Å; A114-L132 HydrophobicContact CB-CD2 3.71Å; D128-L132 WeakPolarHBondContact O-CD1 3.49Å; D128-L132 PolarHBondContact O-N 3.29Å; A129-L132 PolarHBondContact O-N 3.3Å; L132-G134 PolarHBondContact O-N 2.9Å; L132-F135 HydrophobicContact CB-CD2 4.04Å; L132-F135 HydrophobicContact CG-CD2 4.16Å; L132-F135 HydrophobicContact CG-CE2 4.36Å; L132-F135 PolarHBondContact O-N 2.89Å
133H68.2Low84Confident161 Ų16154.5 Ų54.575%0.74528%0.279SS*.THydrogen-bonded Turntrans-69.298.2179.5-170.2-74.1000110.7A129 N130 N131A129-H133 PolarHBondContact O-N 3.37Å; N130-H133 WeakPolarHBondContact O-CB 3.5Å; N131-H133 VanDerWaalsContact C-N 3.27Å
134G70.4Confident83.9Confident33 Ų3354.4 Ų54.434%0.3428%0.278SS..THydrogen-bonded Turntrans134.9-8.3-179.200000114.5L132 E136L132-G134 PolarHBondContact O-N 2.9Å; G134-E136 PolarHBondContact O-N 2.59Å
135F80.3Confident83.9Confident17 Ų1750.4 Ų50.48%0.07526%0.263CS..  trans-78.7116168.3-69.9-87.1000109.8F6 I60 V96 I99 A114 L125 L132F6-F135 HydrophobicContact CB-CE2 4.07Å; F6-F135 HydrophobicContact CB-CZ 4.1Å; I60-F135 HydrophobicContact CB-CZ 4.35Å; I60-F135 HydrophobicContact CD1-CE1 3.99Å; I60-F135 HydrophobicContact CD1-CZ 3.64Å; I60-F135 HydrophobicContact CG2-CE1 3.99Å; I60-F135 HydrophobicContact CG2-CZ 4.08Å; V96-F135 HydrophobicContact CG2-CD1 3.9Å; I99-F135 HydrophobicContact CD1-CB 4.04Å; I99-F135 WeakPolarHBondContact CD1-O 3.47Å; A114-F135 HydrophobicContact CB-CD1 4.36Å; A114-F135 HydrophobicContact CB-CG 4.32Å; L125-F135 HydrophobicContact CD2-CE2 4.37Å; L125-F135 HydrophobicContact CD2-CZ 4.25Å; L132-F135 HydrophobicContact CB-CD2 4.04Å; L132-F135 HydrophobicContact CG-CD2 4.16Å; L132-F135 HydrophobicContact CG-CE2 4.36Å; L132-F135 PolarHBondContact O-N 2.89Å
136E84Confident83.9Confident141 Ų14154.2 Ų54.266%0.65928%0.28SS*.  trans-114144.5172.1-67.3-176.8169.600109.9V96 G134 S139V96-E136 WeakPolarHBondContact CB-O 3.43Å; G134-E136 PolarHBondContact O-N 2.59Å; E136-S139 VanDerWaalsContact O-CB 3.24Å; E136-S139 WeakPolarHBondContact O-CB 3.11Å; E136-S139 PolarHBondContact O-N 3.44Å; E136-S139 VanDerWaalsContact O-N 3.15Å; E136-S139 PolarHBondContact O-OG 3.14Å
137V86.6Confident84Confident80 Ų8055.1 Ų55.149%0.48528%0.283SS..THydrogen-bonded Turntrans-62.3141.8173.3-177.80000109I99 S139I99-V137 HydrophobicContact CB-CG2 4.37Å; I99-V137 HydrophobicContact CD1-CG2 3.95Å; I99-V137 HydrophobicContact CG1-CG2 3.99Å; V137-S139 PolarHBondContact O-N 3.14Å
138D87.1Confident84.1Confident104 Ų10457.6 Ų57.656%0.55630%0.296SS*.THydrogen-bonded Turntrans66.43.8-174.1-71-37.8000115.8K95 V96K95-D138 WeakPolarHBondContact CE-OD1 3.47Å; K95-D138 IonicContact NZ-OD1 2.76Å; K95-D138 PolarHBondContact NZ-OD1 3.3Å; V96-D138 WeakPolarHBondContact O-CA 3.5Å; V96-D138 PolarHBondContact O-N 3.3Å
139S86.9Confident83.5Confident26 Ų2659.7 Ų59.718%0.18232%0.321CS..  trans-71.2141.1171.168.70000111.9K95 V96 E136 V137K95-S139 WeakPolarHBondContact CA-O 3.41Å; K95-S139 VanDerWaalsContact CG-O 3.32Å; K95-S139 WeakPolarHBondContact CG-O 3.35Å; V96-S139 WeakPolarHBondContact CG2-OG 3.08Å; V96-S139 PolarHBondContact N-O 2.99Å; E136-S139 VanDerWaalsContact O-CB 3.24Å; E136-S139 WeakPolarHBondContact O-CB 3.11Å; E136-S139 PolarHBondContact O-N 3.44Å; E136-S139 VanDerWaalsContact O-N 3.15Å; E136-S139 PolarHBondContact O-OG 3.14Å; V137-S139 PolarHBondContact O-N 3.14Å
140R89.8Confident82.4Confident143 Ų14369.1 Ų69.154%0.5436%0.357SS..EExtended strand (participates in β ladder)trans-88.8132.2174.4-70.9154.9170.1-149.27.9108.8Y93 G94Y93-R140 HydrophobicContact CE2-CB 3.96Å; Y93-R140 HydrophobicContact CE2-CG 4.5Å; Y93-R140 WeakPolarHBondContact OH-CD 3.25Å; Y93-R140 WeakPolarHBondContact OH-CG 3.45Å; Y93-R140 PolarHBondContact OH-NH1 2.77Å; G94-R140 WeakPolarHBondContact O-CA 3.4Å
141V91.7Very high82.7Confident0 Ų065.7 Ų65.70%034%0.337CS..EExtended strand (participates in β ladder)trans-136.1145.2-176-63.90000111.1L5 I60 G94 V96 V116 Y118L5-V141 HydrophobicContact CD1-CG1 3.75Å; I60-V141 HydrophobicContact CG2-CB 3.9Å; I60-V141 HydrophobicContact CG2-CG1 4.2Å; I60-V141 HydrophobicContact CG2-CG2 4.43Å; G94-V141 PolarHBondContact N-O 3.44Å; G94-V141 PolarHBondContact O-N 2.83Å; V96-V141 HydrophobicContact CG2-CG1 4.02Å; V96-V141 HydrophobicContact CG2-CG2 4.17Å; V116-V141 HydrophobicContact CG1-CG2 3.52Å; Y118-V141 HydrophobicContact CE1-CG2 4.34Å
142Y91.4Very high83.3Confident18 Ų1866.8 Ų66.87%0.07134%0.343CS..EExtended strand (participates in β ladder)trans-101.2127.3171.2-68.3-86.7000108.5I60 A61 L64 D71 M92 Y93I60-Y142 CarbonylContact C-O 3.59Å; I60-Y142 VanDerWaalsContact CA-O 3.28Å; I60-Y142 WeakPolarHBondContact CA-O 3.1Å; A61-Y142 PolarHBondContact N-O 3.25Å; A61-Y142 PolarHBondContact O-N 3.17Å; L64-Y142 HydrophobicContact CD1-CD1 3.69Å; L64-Y142 HydrophobicContact CD1-CE1 3.4Å; L64-Y142 HydrophobicContact CD1-CG 4.42Å; L64-Y142 HydrophobicContact CD2-CD1 3.73Å; L64-Y142 HydrophobicContact CD2-CE1 4.3Å; L64-Y142 HydrophobicContact CD2-CG 3.86Å; L64-Y142 HydrophobicContact CG-CD1 3.57Å; L64-Y142 HydrophobicContact CG-CD2 4.1Å; L64-Y142 HydrophobicContact CG-CE1 3.65Å; L64-Y142 HydrophobicContact CG-CE2 4.19Å; L64-Y142 HydrophobicContact CG-CG 3.79Å; D71-Y142 HydrophobicContact CB-CE2 4.43Å; D71-Y142 VanDerWaalsContact CG-OH 3.31Å; D71-Y142 PolarHBondContact OD2-OH 3.4Å; M92-Y142 CarbonylContact O-C 3.45Å; M92-Y142 WeakPolarHBondContact O-CA 3.35Å; Y93-Y142 AromaticContact CD2-CD1 3.7Å; Y93-Y142 HydrophobicContact CD2-CD1 3.7Å; Y93-Y142 HydrophobicContact CD2-CD2 4.13Å; Y93-Y142 AromaticContact CD2-CE1 3.27Å; Y93-Y142 HydrophobicContact CD2-CE1 3.27Å; Y93-Y142 AromaticContact CD2-CE2 3.75Å; Y93-Y142 HydrophobicContact CD2-CE2 3.75Å; Y93-Y142 HydrophobicContact CD2-CG 4.11Å; Y93-Y142 AromaticContact CD2-CZ 3.3Å; Y93-Y142 HydrophobicContact CE2-CD2 4.34Å; Y93-Y142 AromaticContact CE2-CE1 3.94Å; Y93-Y142 HydrophobicContact CE2-CE1 3.94Å; Y93-Y142 AromaticContact CE2-CE2 3.66Å; Y93-Y142 HydrophobicContact CE2-CE2 3.66Å; Y93-Y142 AromaticContact CE2-CZ 3.44Å; Y93-Y142 VanDerWaalsContact CE2-CZ 3.44Å; Y93-Y142 WeakPolarHBondContact CE2-OH 3.37Å; Y93-Y142 HydrophobicContact CG-CD1 4.44Å; Y93-Y142 HydrophobicContact CG-CE1 4.01Å
143L92.6Very high83.8Confident0 Ų069.8 Ų69.80%036%0.358CS..EExtended strand (participates in β ladder)trans-99.1127.5167.6178.7157.5000107.9L41 L58 V91 M92 Y118 M123 M145L41-L143 HydrophobicContact CD1-CD1 3.87Å; L41-L143 HydrophobicContact CD2-CD1 4.06Å; L58-L143 HydrophobicContact CD1-CD1 3.99Å; L58-L143 HydrophobicContact CD1-CG 4.28Å; L58-L143 HydrophobicContact CG-CG 4.4Å; V91-L143 CarbonylContact C-O 3.57Å; V91-L143 VanDerWaalsContact CA-O 3.25Å; V91-L143 WeakPolarHBondContact CA-O 3.38Å; M92-L143 HydrophobicContact CB-CB 4.36Å; M92-L143 HydrophobicContact CE-CD1 3.78Å; M92-L143 HydrophobicContact CE-CD2 3.7Å; M92-L143 HydrophobicContact CE-CG 4.21Å; M92-L143 PolarHBondContact N-O 3.23Å; M92-L143 PolarHBondContact O-N 3.31Å; Y118-L143 HydrophobicContact CD1-CB 4.43Å; Y118-L143 HydrophobicContact CE1-CB 3.57Å; Y118-L143 HydrophobicContact CE1-CD1 4.47Å; Y118-L143 HydrophobicContact CE2-CB 4.42Å; Y118-L143 HydrophobicContact CE2-CD1 3.83Å; Y118-L143 WeakPolarHBondContact OH-CB 3.26Å; M123-L143 HydrophobicContact SD-CD1 3.9Å; L143-M145 HydrophobicContact CD2-CB 4.04Å
144L92.5Very high84.7Confident0 Ų064.5 Ų64.50%034%0.336CS..EExtended strand (participates in β ladder)trans-121132175.6-53.594000108.2L58 V59 A61 L64 R84 F88 Y90 V91L58-L144 WeakPolarHBondContact CA-O 3.16Å; V59-L144 HydrophobicContact CB-CB 4.37Å; V59-L144 HydrophobicContact CG1-CD1 4.44Å; V59-L144 PolarHBondContact N-O 2.69Å; V59-L144 PolarHBondContact O-N 3.38Å; A61-L144 HydrophobicContact CB-CD1 4.06Å; L64-L144 HydrophobicContact CD2-CD2 4.18Å; R84-L144 HydrophobicContact CB-CD2 4.03Å; F88-L144 HydrophobicContact CB-CB 4.01Å; F88-L144 HydrophobicContact CB-CD2 4.47Å; F88-L144 HydrophobicContact CD1-CB 3.7Å; F88-L144 HydrophobicContact CD2-CB 3.81Å; F88-L144 HydrophobicContact CD2-CD2 3.57Å; F88-L144 HydrophobicContact CD2-CG 4.35Å; F88-L144 HydrophobicContact CE1-CB 4.08Å; F88-L144 HydrophobicContact CE2-CB 4.18Å; F88-L144 HydrophobicContact CE2-CD2 3.98Å; F88-L144 HydrophobicContact CG-CB 3.57Å; F88-L144 HydrophobicContact CG-CD2 4.12Å; F88-L144 HydrophobicContact CZ-CB 4.31Å; Y90-L144 CarbonylContact O-C 3.54Å; Y90-L144 WeakPolarHBondContact O-CA 3.34Å; V91-L144 HydrophobicContact CG1-CG 4.46Å; V91-L144 HydrophobicContact CG2-CD2 4.29Å; V91-L144 HydrophobicContact CG2-CG 4.29Å
145M93Very high85.6Confident1 Ų166.4 Ų66.41%0.00534%0.335CS..EExtended strand (participates in β ladder)trans-135.4137-175-176.1-176.8176.700109.9Y48 V50 F56 R57 D89 Y90 L143Y48-M145 HydrophobicContact CD1-CE 4.46Å; Y48-M145 HydrophobicContact CD1-SD 4.46Å; Y48-M145 HydrophobicContact CE1-CE 3.66Å; Y48-M145 HydrophobicContact CE1-CG 4.34Å; Y48-M145 HydrophobicContact CE1-SD 3.85Å; V50-M145 HydrophobicContact CG2-CE 4.45Å; F56-M145 HydrophobicContact CB-CE 3.74Å; F56-M145 HydrophobicContact CB-CG 4.19Å; F56-M145 HydrophobicContact CD1-CE 3.4Å; F56-M145 VanDerWaalsContact CD1-CE 3.4Å; F56-M145 HydrophobicContact CD2-CE 3.3Å; F56-M145 HydrophobicContact CD2-CG 3.63Å; F56-M145 HydrophobicContact CD2-SD 3.95Å; F56-M145 HydrophobicContact CE1-CE 3.7Å; F56-M145 HydrophobicContact CE2-CE 3.59Å; F56-M145 HydrophobicContact CE2-CG 4.28Å; F56-M145 HydrophobicContact CE2-SD 4.14Å; F56-M145 HydrophobicContact CG-CE 3.17Å; F56-M145 HydrophobicContact CG-CG 4.13Å; F56-M145 HydrophobicContact CG-SD 4.35Å; F56-M145 HydrophobicContact CZ-CE 3.77Å; R57-M145 WeakPolarHBondContact O-CA 3.12Å; D89-M145 PolarHBondContact N-O 3.22Å; D89-M145 VanDerWaalsContact N-O 3.09Å; Y90-M145 HydrophobicContact CD1-CB 4.39Å; Y90-M145 HydrophobicContact CD1-SD 4.45Å; Y90-M145 PolarHBondContact N-O 3.43Å; Y90-M145 PolarHBondContact O-N 3.12Å; L143-M145 HydrophobicContact CD2-CB 4.04Å
146K92.8Very high86Confident80 Ų8069.7 Ų69.735%0.34835%0.353SS..EExtended strand (participates in β ladder)trans-138.1126.3178.5-173.8179-165.1149.20109.7F56 R57 Q87 F88F56-K146 CarbonylContact C-O 3.55Å; F56-K146 WeakPolarHBondContact CA-O 3.29Å; F56-K146 WeakPolarHBondContact CB-O 3.23Å; R57-K146 PolarHBondContact N-O 3.21Å; R57-K146 PolarHBondContact O-N 3.2Å; Q87-K146 WeakPolarHBondContact O-CD 3.35Å; Q87-K146 PolarHBondContact O-NZ 2.83Å; F88-K146 HydrophobicContact CD1-CB 3.75Å; F88-K146 HydrophobicContact CE1-CB 4.39Å; F88-K146 HydrophobicContact CG-CB 4.49Å
147K90.3Very high86.1Confident59 Ų5964.6 Ų64.626%0.25733%0.331SS..EExtended strand (participates in β ladder)trans-67.8137.9175.2-97.9160.4-178.8-117.80109.8Y48 P49 D54Y48-K147 HydrophobicContact CE1-CD 4.16Å; Y48-K147 HydrophobicContact CE1-CG 4.32Å; Y48-K147 HydrophobicContact CE2-CD 4.13Å; Y48-K147 WeakPolarHBondContact OH-CB 3.4Å; Y48-K147 WeakPolarHBondContact OH-CG 3.37Å; Y48-K147 PolarHBondContact OH-N 2.96Å; P49-K147 WeakPolarHBondContact O-CE 3.34Å; P49-K147 PolarHBondContact O-NZ 2.87Å; D54-K147 IonicContact OD2-NZ 3.02Å; D54-K147 PolarHBondContact OD2-NZ 2.68Å
148L87.9Confident86.1Confident54 Ų5463.5 Ų63.528%0.28332%0.319SS..EExtended strand (participates in β ladder)trans-97.2109.8171.4-63176000107.2I9 K55 R57 F150I9-L148 HydrophobicContact CD1-CD1 3.85Å; I9-L148 HydrophobicContact CG1-CD1 4.04Å; I9-L148 HydrophobicContact CG2-CD1 3.7Å; K55-L148 HydrophobicContact CB-CB 4.46Å; K55-L148 PolarHBondContact O-N 2.86Å; R57-L148 HydrophobicContact CB-CD1 4.49Å; R57-L148 HydrophobicContact CB-CD2 4.4Å; R57-L148 HydrophobicContact CB-CG 4.46Å; L148-F150 HydrophobicContact CB-CD2 4.45Å; L148-F150 HydrophobicContact CB-CE2 4.2Å; L148-F150 PolarHBondContact O-N 2.68Å
149A70.1Confident86Confident107 Ų10760.1 Ų60.188%0.88430%0.299SS*.  trans-73.8122.1170.500000108.8
150F52.8Low85.9Confident233 Ų23363.2 Ų63.2100%1.02231%0.31SS*.  trans-110.70166-82-79.6000110K55 L148K55-F150 HydrophobicContact CD-CD2 4.36Å; K55-F150 HydrophobicContact CD-CE2 4.03Å; L148-F150 HydrophobicContact CB-CD2 4.45Å; L148-F150 HydrophobicContact CB-CE2 4.2Å; L148-F150 PolarHBondContact O-N 2.68Å

Retrieved 150 of 150 residues in 48.3 ms (Link to these results)

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