A0A077ZGE9_TRITR Loading...

Aldehyde dehydrogenase

AlphaFold DB , UniProt , Accession A0A077ZGE9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 486 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
1M43.2Very low78.1Confident245 Ų24597.3 Ų97.3100%1.20754%0.537SS*.  091.70-81.2-176.4177.700106.6K3M1-K3 PolarHBondContact O-N 3.19Å
2A49.9Very low79.8Confident57 Ų5791.9 Ų91.947%0.47151%0.509SS..  trans-51133.2169.500000108.1E4 E322A2-E4 PolarHBondContact O-N 3.02Å; A2-E322 WeakPolarHBondContact CB-OE1 3.47Å
3K49Very low81.2Confident202 Ų20290.8 Ų90.888%0.87849%0.493SS*.  trans-62.2111.8165.5-80179.5177.5176.10105.2M1 Q5M1-K3 PolarHBondContact O-N 3.19Å; K3-Q5 VanDerWaalsContact C-N 3.32Å; K3-Q5 PolarHBondContact O-N 3.05Å
4E61.2Low82.5Confident172 Ų17284.3 Ų84.380%0.80446%0.457SS*.  trans-52.198.4176.7-154.8176-174.100107.9A2 A6A2-E4 PolarHBondContact O-N 3.02Å; E4-A6 PolarHBondContact O-N 3.26Å
5Q75.6Confident83.6Confident92 Ų9279.2 Ų79.243%0.4343%0.429SS..  trans-83.8114.1-179.5-175.3170.2-9.800106K3 M96 L321K3-Q5 VanDerWaalsContact C-N 3.32Å; K3-Q5 PolarHBondContact O-N 3.05Å; Q5-M96 VanDerWaalsContact O-CE 3.23Å; Q5-M96 WeakPolarHBondContact O-CE 3.11Å; Q5-L321 HydrophobicContact CB-CD1 4.28Å
6A90.6Very high84.5Confident82 Ų8275.1 Ų75.168%0.67841%0.406SS*.PPolyproline II helixtrans-59141176.300000110.1E4 P8E4-A6 PolarHBondContact O-N 3.26Å; A6-P8 WeakPolarHBondContact O-CD 3.38Å
7L97Very high85.4Confident42 Ų4274.6 Ų74.622%0.2240%0.403CS..PPolyproline II helixtrans-52125172.8-179.672.1000108.9V10 L39 V40 M96 L186L7-V10 HydrophobicContact CD2-CG1 4.3Å; L7-L39 HydrophobicContact CD2-CB 4.28Å; L7-V40 HydrophobicContact CD2-CB 3.99Å; L7-V40 HydrophobicContact CD2-CG1 3.98Å; L7-M96 HydrophobicContact CB-CE 4.16Å; L7-M96 HydrophobicContact CB-SD 4.39Å; L7-M96 HydrophobicContact CD1-CB 4.35Å; L7-M96 HydrophobicContact CD1-CE 4.42Å; L7-M96 HydrophobicContact CD1-SD 3.95Å; L7-L186 HydrophobicContact CD1-CD1 4.07Å; L7-L186 HydrophobicContact CD2-CD1 4.02Å
8P97.9Very high86.1Confident26 Ų2671.4 Ų71.417%0.16939%0.391CS..PPolyproline II helixtrans-56.9147.6173.2-23.733.5000111.1A6 V10 R89 T92 I93A6-P8 WeakPolarHBondContact O-CD 3.38Å; P8-V10 PolarHBondContact O-N 3.47Å; P8-R89 HydrophobicContact CB-CG 3.66Å; P8-R89 HydrophobicContact CG-CG 4.34Å; P8-T92 HydrophobicContact CG-CG2 3.67Å; P8-I93 HydrophobicContact CB-CD1 4.27Å; P8-I93 HydrophobicContact CB-CG1 4.04Å; P8-I93 HydrophobicContact CG-CG1 4.04Å
9A97.4Very high86.7Confident87 Ų8774.3 Ų74.372%0.71940%0.399SS*.PPolyproline II helixtrans-56.1131.3178.300000110.5R89A9-R89 PolarHBondContact O-NH1 2.94Å
10V98.5Very high87.3Confident22 Ų2273.1 Ų73.113%0.13339%0.389CS..  trans-151.7141.2178.863.80000108.8L7 P8 I93 L186 L189 A190 E193L7-V10 HydrophobicContact CD2-CG1 4.3Å; P8-V10 PolarHBondContact O-N 3.47Å; V10-I93 HydrophobicContact CB-CD1 4.03Å; V10-I93 HydrophobicContact CG2-CD1 4.25Å; V10-L186 HydrophobicContact CG1-CB 4.47Å; V10-L186 HydrophobicContact CG1-CD2 4.12Å; V10-L189 HydrophobicContact CG2-CB 4.2Å; V10-A190 HydrophobicContact CG2-CB 3.92Å; V10-E193 WeakPolarHBondContact CA-OE1 3.2Å
11E98.5Very high87.9Confident43 Ų4371.9 Ų71.920%0.20138%0.384CS..  trans-57.3146.9169.8-88.6-74.9-173.400111.3R13 W20 L189 E193E11-R13 IonicContact OE1-CZ 2.68Å; E11-R13 IonicContact OE1-NE 2.72Å; E11-R13 IonicContact OE1-NH2 3.85Å; E11-R13 PolarHBondContact OE1-NH2 3.38Å; E11-R13 IonicContact OE2-CZ 3.4Å; E11-R13 IonicContact OE2-NE 3.67Å; E11-R13 PolarHBondContact OE2-NE 3.47Å; E11-R13 VanDerWaalsContact OE2-NE 3.1Å; E11-R13 IonicContact OE2-NH2 3.1Å; E11-R13 PolarHBondContact OE2-NH2 3.03Å; E11-W20 HydrophobicContact CB-CD2 4.23Å; E11-W20 HydrophobicContact CB-CE3 3.88Å; E11-W20 HydrophobicContact CB-CH2 3.74Å; E11-W20 HydrophobicContact CB-CZ2 4.15Å; E11-W20 HydrophobicContact CB-CZ3 3.62Å; E11-W20 HydrophobicContact CG-CD2 3.76Å; E11-W20 HydrophobicContact CG-CE3 3.94Å; E11-W20 HydrophobicContact CG-CG 4.33Å; E11-W20 HydrophobicContact CG-CH2 4.01Å; E11-W20 HydrophobicContact CG-CZ2 3.89Å; E11-W20 HydrophobicContact CG-CZ3 4.05Å; E11-L189 WeakPolarHBondContact O-CD1 3.39Å; E11-E193 HydrophobicContact CB-CG 4.3Å; E11-E193 HydrophobicContact CG-CG 4.33Å; E11-E193 PolarHBondContact N-OE1 3.18Å
12T98.6Very high90.5Very high33 Ų3366.5 Ų66.520%0.20236%0.356CS..  trans-120.51.8-178.861.20000112.2V40 E41 V42 H43T12-V40 HydrophobicContact CG2-CG1 4.41Å; T12-V40 HydrophobicContact CG2-CG2 3.62Å; T12-E41 WeakPolarHBondContact CB-O 3.39Å; T12-V42 CarbonylContact O-C 3.53Å; T12-V42 WeakPolarHBondContact O-CA 3.29Å; T12-H43 PolarHBondContact O-N 3Å
13R98.7Very high92.8Very high77 Ų7764.3 Ų64.329%0.29134%0.339SS..SBendtrans-99.9164.5-177.7-70.8176.3-62.4169.72.7111.5E11 W20 V21 E22 L189E11-R13 IonicContact OE1-CZ 2.68Å; E11-R13 IonicContact OE1-NE 2.72Å; E11-R13 IonicContact OE1-NH2 3.85Å; E11-R13 PolarHBondContact OE1-NH2 3.38Å; E11-R13 IonicContact OE2-CZ 3.4Å; E11-R13 IonicContact OE2-NE 3.67Å; E11-R13 PolarHBondContact OE2-NE 3.47Å; E11-R13 VanDerWaalsContact OE2-NE 3.1Å; E11-R13 IonicContact OE2-NH2 3.1Å; E11-R13 PolarHBondContact OE2-NH2 3.03Å; R13-W20 HydrophobicContact CB-CB 4.31Å; R13-W20 HydrophobicContact CB-CE3 4.4Å; R13-W20 WeakPolarHBondContact O-CZ3 3.33Å; R13-V21 WeakPolarHBondContact CB-O 3.43Å; R13-E22 HydrophobicContact CG-CG 4.37Å; R13-L189 WeakPolarHBondContact O-CD2 3.34Å
14L98.7Very high95.1Very high0 Ų057.4 Ų57.40%032%0.316CS..EExtended strand (participates in β ladder)trans-71.5155.1173.2-46.2-179.4000109.7I16 W20 V21 H43 E49 L209L14-I16 HydrophobicContact CB-CD1 4.42Å; L14-I16 HydrophobicContact CB-CG1 4.47Å; L14-I16 HydrophobicContact CD1-CD1 4.39Å; L14-W20 CarbonylContact O-C 3.57Å; L14-W20 VanDerWaalsContact O-CA 3.24Å; L14-W20 WeakPolarHBondContact O-CA 3.28Å; L14-V21 HydrophobicContact CB-CG2 3.79Å; L14-V21 HydrophobicContact CD1-CG2 4.47Å; L14-V21 PolarHBondContact N-O 3.07Å; L14-V21 PolarHBondContact O-N 3.27Å; L14-H43 WeakPolarHBondContact CD2-O 3.37Å; L14-E49 HydrophobicContact CD1-CB 3.83Å; L14-E49 HydrophobicContact CD1-CG 3.67Å; L14-L209 HydrophobicContact CD2-CB 3.65Å; L14-L209 HydrophobicContact CD2-CD1 4.24Å; L14-L209 HydrophobicContact CD2-CG 3.73Å
15Y98.8Very high96.8Very high8 Ų855 Ų553%0.03131%0.305CS..EExtended strand (participates in β ladder)trans-117.5104.5175.7-174.6-103.1000109.5K19 W20 M192 D196 V205 N206 I207Y15-K19 WeakPolarHBondContact CA-O 3.49Å; Y15-W20 AromaticContact CD2-CD2 3.82Å; Y15-W20 HydrophobicContact CD2-CD2 3.82Å; Y15-W20 AromaticContact CD2-CE2 3.65Å; Y15-W20 HydrophobicContact CD2-CE3 4.08Å; Y15-W20 HydrophobicContact CD2-CG 4.4Å; Y15-W20 HydrophobicContact CD2-CH2 4.13Å; Y15-W20 AromaticContact CD2-CZ2 3.81Å; Y15-W20 HydrophobicContact CD2-CZ2 3.81Å; Y15-W20 HydrophobicContact CD2-CZ3 4.24Å; Y15-W20 HydrophobicContact CE2-CZ2 4.36Å; Y15-W20 HydrophobicContact CG-CH2 4.4Å; Y15-W20 HydrophobicContact CG-CZ2 4.49Å; Y15-W20 HydrophobicContact CG-CZ3 4.38Å; Y15-M192 HydrophobicContact CD1-CB 4.35Å; Y15-M192 HydrophobicContact CD1-SD 4.33Å; Y15-M192 HydrophobicContact CG-CB 4.25Å; Y15-D196 HydrophobicContact CE2-CB 3.93Å; Y15-D196 WeakPolarHBondContact OH-CB 3.34Å; Y15-D196 PolarHBondContact OH-OD1 2.89Å; Y15-D196 VanDerWaalsContact OH-OD1 3.14Å; Y15-V205 WeakPolarHBondContact CE1-O 3.44Å; Y15-N206 CarbonylContact O-C 3.46Å; Y15-N206 VanDerWaalsContact O-CA 3.27Å; Y15-N206 WeakPolarHBondContact O-CA 3.38Å; Y15-I207 PolarHBondContact O-N 2.95Å
16I98.9Very high97.8Very high13 Ų1352.4 Ų52.47%0.06730%0.303CS..EExtended strand (participates in β ladder)trans-132.6127.2-175.7-60.1176.4000108.5L14 G18 K19 V21 E49 A52 A53 A56 V208L14-I16 HydrophobicContact CB-CD1 4.42Å; L14-I16 HydrophobicContact CB-CG1 4.47Å; L14-I16 HydrophobicContact CD1-CD1 4.39Å; I16-G18 PolarHBondContact O-N 2.96Å; I16-K19 PolarHBondContact N-O 3.07Å; I16-K19 PolarHBondContact O-N 3.34Å; I16-K19 VanDerWaalsContact O-N 3.11Å; I16-V21 HydrophobicContact CB-CG2 4.24Å; I16-V21 HydrophobicContact CD1-CG2 3.95Å; I16-V21 HydrophobicContact CG1-CG2 4.17Å; I16-E49 HydrophobicContact CD1-CB 3.83Å; I16-E49 HydrophobicContact CD1-CG 4.25Å; I16-E49 WeakPolarHBondContact CD1-O 3.41Å; I16-A52 HydrophobicContact CG2-CB 4.35Å; I16-A53 HydrophobicContact CD1-CB 4.32Å; I16-A53 HydrophobicContact CG1-CB 4.32Å; I16-A53 HydrophobicContact CG2-CB 4.31Å; I16-A56 HydrophobicContact CG2-CB 4.37Å; I16-V208 HydrophobicContact CD1-CG2 4.21Å
17N98.7Very high98.2Very high67 Ų6751.2 Ų51.236%0.35829%0.287SS..THydrogen-bonded Turntrans53.447.2176.7-159.935.3000113.8K19 A56 N206N17-K19 VanDerWaalsContact C-N 3.26Å; N17-K19 PolarHBondContact O-N 3.39Å; N17-A56 HydrophobicContact CB-CB 3.65Å; N17-N206 PolarHBondContact N-OD1 2.74Å
18G98.4Very high98.2Very high17 Ų1752.9 Ų52.918%0.17529%0.292CS..THydrogen-bonded Turntrans72.315.3179.500000114.6I16I16-G18 PolarHBondContact O-N 2.96Å
19K98.6Very high98.3Very high127 Ų12755 Ų5555%0.55231%0.306SS*.EExtended strand (participates in β ladder)trans-135.6140.3-174.3-63.1178.2-173.2174.70112.3Y15 I16 N17 V21Y15-K19 WeakPolarHBondContact CA-O 3.49Å; I16-K19 PolarHBondContact N-O 3.07Å; I16-K19 PolarHBondContact O-N 3.34Å; I16-K19 VanDerWaalsContact O-N 3.11Å; N17-K19 VanDerWaalsContact C-N 3.26Å; N17-K19 PolarHBondContact O-N 3.39Å; K19-V21 HydrophobicContact CB-CG1 4.2Å
20W98.7Very high98.3Very high50 Ų5051 Ų5119%0.18927%0.273CS..EExtended strand (participates in β ladder)trans-78.2117.5167.8-60.8104.7000110.4E11 R13 L14 Y15 L189 M192 E193E11-W20 HydrophobicContact CB-CD2 4.23Å; E11-W20 HydrophobicContact CB-CE3 3.88Å; E11-W20 HydrophobicContact CB-CH2 3.74Å; E11-W20 HydrophobicContact CB-CZ2 4.15Å; E11-W20 HydrophobicContact CB-CZ3 3.62Å; E11-W20 HydrophobicContact CG-CD2 3.76Å; E11-W20 HydrophobicContact CG-CE3 3.94Å; E11-W20 HydrophobicContact CG-CG 4.33Å; E11-W20 HydrophobicContact CG-CH2 4.01Å; E11-W20 HydrophobicContact CG-CZ2 3.89Å; E11-W20 HydrophobicContact CG-CZ3 4.05Å; R13-W20 HydrophobicContact CB-CB 4.31Å; R13-W20 HydrophobicContact CB-CE3 4.4Å; R13-W20 WeakPolarHBondContact O-CZ3 3.33Å; L14-W20 CarbonylContact O-C 3.57Å; L14-W20 VanDerWaalsContact O-CA 3.24Å; L14-W20 WeakPolarHBondContact O-CA 3.28Å; Y15-W20 AromaticContact CD2-CD2 3.82Å; Y15-W20 HydrophobicContact CD2-CD2 3.82Å; Y15-W20 AromaticContact CD2-CE2 3.65Å; Y15-W20 HydrophobicContact CD2-CE3 4.08Å; Y15-W20 HydrophobicContact CD2-CG 4.4Å; Y15-W20 HydrophobicContact CD2-CH2 4.13Å; Y15-W20 AromaticContact CD2-CZ2 3.81Å; Y15-W20 HydrophobicContact CD2-CZ2 3.81Å; Y15-W20 HydrophobicContact CD2-CZ3 4.24Å; Y15-W20 HydrophobicContact CE2-CZ2 4.36Å; Y15-W20 HydrophobicContact CG-CH2 4.4Å; Y15-W20 HydrophobicContact CG-CZ2 4.49Å; Y15-W20 HydrophobicContact CG-CZ3 4.38Å; W20-L189 HydrophobicContact CZ3-CD2 4.13Å; W20-M192 HydrophobicContact CH2-CB 3.67Å; W20-M192 HydrophobicContact CZ2-CB 4.41Å; W20-M192 HydrophobicContact CZ3-CB 4.37Å; W20-E193 HydrophobicContact CH2-CG 4Å; W20-E193 HydrophobicContact CZ2-CB 4.45Å; W20-E193 HydrophobicContact CZ2-CG 3.83Å
21V98.5Very high98.3Very high48 Ų4853 Ų5329%0.29129%0.285SS..EExtended strand (participates in β ladder)trans-126.6138.8-174.7-57.60000111.6R13 L14 I16 K19R13-V21 WeakPolarHBondContact CB-O 3.43Å; L14-V21 HydrophobicContact CB-CG2 3.79Å; L14-V21 HydrophobicContact CD1-CG2 4.47Å; L14-V21 PolarHBondContact N-O 3.07Å; L14-V21 PolarHBondContact O-N 3.27Å; I16-V21 HydrophobicContact CB-CG2 4.24Å; I16-V21 HydrophobicContact CD1-CG2 3.95Å; I16-V21 HydrophobicContact CG1-CG2 4.17Å; K19-V21 HydrophobicContact CB-CG1 4.2Å
22E98.4Very high98.2Very high132 Ų13251.1 Ų51.162%0.61728%0.276SS*.  trans-71.1135.4172-62.5179.7-174.500109.7R13R13-E22 HydrophobicContact CG-CG 4.37Å
23G97.7Very high98.2Very high10 Ų1049.7 Ų49.710%0.10327%0.268CS..  trans-79.4150.2178.100000112.8E25 V44G23-E25 VanDerWaalsContact C-N 3.31Å; G23-E25 PolarHBondContact O-N 3.27Å; G23-V44 CarbonylContact C-O 3.58Å; G23-V44 WeakPolarHBondContact CA-O 3.37Å
24S98Very high98.2Very high58 Ų5846.2 Ų46.241%0.40626%0.255SS..THydrogen-bonded Turntrans-72.2-20.2-175.764.80000114.7G26 V44 G46 E49S24-G26 VanDerWaalsContact C-N 3.31Å; S24-G26 PolarHBondContact O-N 3.06Å; S24-V44 PolarHBondContact N-O 3.32Å; S24-G46 PolarHBondContact OG-N 3.45Å; S24-E49 WeakPolarHBondContact CB-OE2 3.43Å; S24-E49 PolarHBondContact OG-OE2 3.48Å
25E97.4Very high98.1Very high122 Ų12247.9 Ų47.957%0.5727%0.265SS*.THydrogen-bonded Turntrans-95.618.2-172.2-54-54123.700112.7G23 V44G23-E25 VanDerWaalsContact C-N 3.31Å; G23-E25 PolarHBondContact O-N 3.27Å; E25-V44 HydrophobicContact CB-CB 4.19Å; E25-V44 HydrophobicContact CB-CG1 3.99Å; E25-V44 WeakPolarHBondContact CB-O 3.28Å; E25-V44 PolarHBondContact N-O 3.05Å
26G96.3Very high97.9Very high37 Ų3749.5 Ų49.538%0.38128%0.284SS..  trans76.8-145.4-178.800000112.5S24 H43 V44S24-G26 VanDerWaalsContact C-N 3.31Å; S24-G26 PolarHBondContact O-N 3.06Å; G26-H43 WeakPolarHBondContact O-CA 3.31Å; G26-V44 PolarHBondContact O-N 2.92Å
27T98.3Very high97.8Very high57 Ų5753.6 Ų53.635%0.3530%0.303SS..EExtended strand (participates in β ladder)trans-120.6152.9-177.858.70000111.4E41 V42T27-E41 PolarHBondContact OG1-OE2 2.97Å; T27-V42 CarbonylContact C-O 3.54Å; T27-V42 WeakPolarHBondContact CA-O 3.43Å
28K98Very high97.7Very high77 Ų7754.5 Ų54.534%0.33531%0.311SS..EExtended strand (participates in β ladder)trans-129143.6171.2-72-173-171.7-1740110.1E41 V42 V44 D211K28-E41 CarbonylContact O-C 3.57Å; K28-E41 WeakPolarHBondContact O-CA 3.35Å; K28-V42 PolarHBondContact N-O 3.47Å; K28-V42 PolarHBondContact O-N 3.02Å; K28-V44 HydrophobicContact CB-CG2 3.93Å; K28-V44 HydrophobicContact CD-CG2 3.99Å; K28-V44 HydrophobicContact CG-CG2 3.74Å; K28-D211 VanDerWaalsContact NZ-CG 3.3Å; K28-D211 IonicContact NZ-OD1 3.11Å; K28-D211 PolarHBondContact NZ-OD1 3.19Å; K28-D211 IonicContact NZ-OD2 3.58Å; K28-D211 PolarHBondContact NZ-OD2 3.32Å; K28-D211 VanDerWaalsContact NZ-OD2 3.11Å
29P98.2Very high97.7Very high70 Ų7055.2 Ų55.246%0.45531%0.311SS..EExtended strand (participates in β ladder)trans-71.5146.3179.330.3-35.4000111.4T38P29-T38 HydrophobicContact CB-CG2 3.65Å
30V98.4Very high97.6Very high3 Ų351 Ų512%0.01830%0.296CS..EExtended strand (participates in β ladder)trans-105125.9164.2-174.10000107.3T38 L39 V40 V42 E97 P185 L186V30-T38 CarbonylContact O-C 3.56Å; V30-L39 HydrophobicContact CG1-CD1 4.32Å; V30-L39 PolarHBondContact O-N 2.96Å; V30-V40 HydrophobicContact CB-CG1 4.42Å; V30-V40 HydrophobicContact CG2-CG1 4.34Å; V30-V40 PolarHBondContact N-O 3.28Å; V30-V42 HydrophobicContact CG2-CG1 3.83Å; V30-V42 HydrophobicContact CG2-CG2 4.08Å; V30-E97 HydrophobicContact CG1-CB 3.88Å; V30-P185 HydrophobicContact CG1-CG 4.45Å; V30-P185 HydrophobicContact CG2-CG 3.43Å; V30-P185 VanDerWaalsContact CG2-CG 3.43Å; V30-L186 HydrophobicContact CB-CD1 4.37Å; V30-L186 HydrophobicContact CG1-CD1 4.01Å; V30-L186 HydrophobicContact CG1-CG 4.17Å; V30-L186 HydrophobicContact CG2-CD2 4.18Å; V30-L186 HydrophobicContact CG2-CG 4.23Å
31T97.7Very high97.6Very high63 Ų6353.4 Ų53.439%0.38731%0.309SS..EExtended strand (participates in β ladder)trans-110.7138.4-173.3-60.20000110.5P33 G36 E37T31-P33 WeakPolarHBondContact O-CD 3.32Å; T31-G36 WeakPolarHBondContact CG2-O 3.46Å; T31-E37 CarbonylContact C-O 3.54Å; T31-E37 WeakPolarHBondContact CA-O 3.33Å
32N98.1Very high97.6Very high4 Ų451.4 Ų51.42%0.02130%0.297CS..  trans-75.4117.2170.5-175.2-26.5000109.8A34 T35 G36 E37 L39 M96N32-A34 PolarHBondContact O-N 3.15Å; N32-A34 VanDerWaalsContact OD1-CB 3.29Å; N32-A34 WeakPolarHBondContact OD1-CB 3.36Å; N32-A34 PolarHBondContact OD1-N 2.71Å; N32-T35 WeakPolarHBondContact CB-OG1 3.46Å; N32-T35 PolarHBondContact O-N 3.4Å; N32-G36 WeakPolarHBondContact O-CA 3.36Å; N32-G36 PolarHBondContact O-N 3.43Å; N32-E37 PolarHBondContact N-O 3.34Å; N32-L39 HydrophobicContact CB-CD1 4.25Å; N32-L39 HydrophobicContact CB-CD2 3.92Å; N32-L39 HydrophobicContact CB-CG 4.04Å; N32-M96 WeakPolarHBondContact CA-O 3.49Å; N32-M96 WeakPolarHBondContact CB-O 3.35Å; N32-M96 PolarHBondContact ND2-O 2.89Å; N32-M96 PolarHBondContact OD1-O 3.07Å
33P98.1Very high97.7Very high4 Ų446.8 Ų46.83%0.02628%0.275CS..THydrogen-bonded Turntrans-69.9-13.9-177.527.8-34.5000114.1T31 E97 Q98 P328 L329 I330 G367 N368T31-P33 WeakPolarHBondContact O-CD 3.32Å; P33-E97 WeakPolarHBondContact CD-O 3.3Å; P33-Q98 VanDerWaalsContact CG-C 3.46Å; P33-Q98 WeakPolarHBondContact CG-O 3.17Å; P33-P328 HydrophobicContact CB-CB 4.43Å; P33-P328 HydrophobicContact CB-CG 4.02Å; P33-P328 HydrophobicContact CG-CG 3.98Å; P33-L329 WeakPolarHBondContact CB-O 3.28Å; P33-I330 WeakPolarHBondContact CB-O 3.48Å; P33-I330 HydrophobicContact CG-CD1 4.3Å; P33-G367 WeakPolarHBondContact O-CA 3.48Å; P33-N368 PolarHBondContact O-N 2.72Å; P33-N368 PolarHBondContact O-ND2 3.24Å
34A97.8Very high97.7Very high3 Ų346.5 Ų46.53%0.02527%0.272CS..THydrogen-bonded Turntrans-85.5-25.1176.500000113.1N32 N319 P328 G367 F369N32-A34 PolarHBondContact O-N 3.15Å; N32-A34 VanDerWaalsContact OD1-CB 3.29Å; N32-A34 WeakPolarHBondContact OD1-CB 3.36Å; N32-A34 PolarHBondContact OD1-N 2.71Å; A34-N319 HydrophobicContact CB-CB 4.21Å; A34-P328 HydrophobicContact CB-CG 3.97Å; A34-G367 WeakPolarHBondContact O-CA 3.35Å; A34-F369 HydrophobicContact CB-CE2 4.37Å; A34-F369 HydrophobicContact CB-CZ 3.77Å; A34-F369 VanDerWaalsContact O-CE2 3.24Å; A34-F369 WeakPolarHBondContact O-CE2 3.38Å
35T96.1Very high97.7Very high35 Ų3543.9 Ų43.922%0.21525%0.254CS..THydrogen-bonded Turntrans-126.7-12.3-172.665.80000114.1N32 E37 D366N32-T35 WeakPolarHBondContact CB-OG1 3.46Å; N32-T35 PolarHBondContact O-N 3.4Å; T35-E37 PolarHBondContact O-N 2.93Å; T35-E37 WeakPolarHBondContact OG1-CB 3.12Å; T35-E37 WeakPolarHBondContact OG1-CG 3.36Å; T35-E37 PolarHBondContact OG1-N 3.26Å; T35-E37 PolarHBondContact OG1-OE2 3.44Å; T35-E37 VanDerWaalsContact OG1-OE2 3.06Å; T35-D366 CarbonylContact C-O 3.49Å; T35-D366 VanDerWaalsContact O-CB 3.23Å; T35-D366 WeakPolarHBondContact O-CB 3.21Å
36G95.5Very high97.7Very high42 Ų4238.3 Ų38.343%0.43323%0.229SC..  trans72.9-1.1-174.300000114T31 N32 D366T31-G36 WeakPolarHBondContact CG2-O 3.46Å; N32-G36 WeakPolarHBondContact O-CA 3.36Å; N32-G36 PolarHBondContact O-N 3.43Å; G36-D366 WeakPolarHBondContact CA-O 3.35Å; G36-D366 PolarHBondContact N-O 2.67Å
37E95.9Very high97.8Very high99 Ų9942.5 Ų42.546%0.46324%0.239SC..  trans-74.3140.7-177.3-66.7170.3156.200111.7T31 N32 T35 L39T31-E37 CarbonylContact C-O 3.54Å; T31-E37 WeakPolarHBondContact CA-O 3.33Å; N32-E37 PolarHBondContact N-O 3.34Å; T35-E37 PolarHBondContact O-N 2.93Å; T35-E37 WeakPolarHBondContact OG1-CB 3.12Å; T35-E37 WeakPolarHBondContact OG1-CG 3.36Å; T35-E37 PolarHBondContact OG1-N 3.26Å; T35-E37 PolarHBondContact OG1-OE2 3.44Å; T35-E37 VanDerWaalsContact OG1-OE2 3.06Å; E37-L39 PolarHBondContact O-N 3.48Å
38T97.4Very high97.8Very high86 Ų8646.6 Ų46.653%0.52825%0.252SS..EExtended strand (participates in β ladder)trans-74.4116167.8-60.50000109.3P29 V30P29-T38 HydrophobicContact CB-CG2 3.65Å; V30-T38 CarbonylContact O-C 3.56Å
39L97.8Very high97.8Very high32 Ų3243.3 Ų43.317%0.16824%0.238CC..EExtended strand (participates in β ladder)trans-73.2-49179.3-65.6175.7000111.5L7 V30 N32 E37 M96 E97 L186L7-L39 HydrophobicContact CD2-CB 4.28Å; V30-L39 HydrophobicContact CG1-CD1 4.32Å; V30-L39 PolarHBondContact O-N 2.96Å; N32-L39 HydrophobicContact CB-CD1 4.25Å; N32-L39 HydrophobicContact CB-CD2 3.92Å; N32-L39 HydrophobicContact CB-CG 4.04Å; E37-L39 PolarHBondContact O-N 3.48Å; L39-M96 HydrophobicContact CD1-CB 4.01Å; L39-M96 WeakPolarHBondContact CD1-O 3.31Å; L39-M96 HydrophobicContact CD2-CB 4.33Å; L39-M96 HydrophobicContact CD2-CE 3.79Å; L39-E97 HydrophobicContact CD1-CB 4.06Å; L39-L186 HydrophobicContact CD1-CD1 4.47Å
40V98.3Very high97.9Very high38 Ų3840 Ų4023%0.2322%0.216CC..EExtended strand (participates in β ladder)trans-166.4166.9-176.9710000109L7 T12 V30 V42 L186L7-V40 HydrophobicContact CD2-CB 3.99Å; L7-V40 HydrophobicContact CD2-CG1 3.98Å; T12-V40 HydrophobicContact CG2-CG1 4.41Å; T12-V40 HydrophobicContact CG2-CG2 3.62Å; V30-V40 HydrophobicContact CB-CG1 4.42Å; V30-V40 HydrophobicContact CG2-CG1 4.34Å; V30-V40 PolarHBondContact N-O 3.28Å; V40-V42 HydrophobicContact CG1-CG1 4.4Å; V40-L186 HydrophobicContact CG1-CD1 3.87Å; V40-L186 HydrophobicContact CG1-CD2 3.62Å; V40-L186 HydrophobicContact CG1-CG 4.35Å
41E98.5Very high97.9Very high101 Ų10144.7 Ų44.747%0.47224%0.238SC..EExtended strand (participates in β ladder)trans-104.7137.8165.4-53.7-165.1126.900111.2T12 T27 K28T12-E41 WeakPolarHBondContact CB-O 3.39Å; T27-E41 PolarHBondContact OG1-OE2 2.97Å; K28-E41 CarbonylContact O-C 3.57Å; K28-E41 WeakPolarHBondContact O-CA 3.35Å
42V98.7Very high97.9Very high7 Ų743.5 Ų43.54%0.04224%0.235CC..EExtended strand (participates in β ladder)trans-109.2143.7175.9-63.20000111T12 T27 K28 V30 V40 P185 L186 L189 L209T12-V42 CarbonylContact O-C 3.53Å; T12-V42 WeakPolarHBondContact O-CA 3.29Å; T27-V42 CarbonylContact C-O 3.54Å; T27-V42 WeakPolarHBondContact CA-O 3.43Å; K28-V42 PolarHBondContact N-O 3.47Å; K28-V42 PolarHBondContact O-N 3.02Å; V30-V42 HydrophobicContact CG2-CG1 3.83Å; V30-V42 HydrophobicContact CG2-CG2 4.08Å; V40-V42 HydrophobicContact CG1-CG1 4.4Å; V42-P185 HydrophobicContact CG1-CG 4.13Å; V42-P185 HydrophobicContact CG2-CB 4.37Å; V42-P185 HydrophobicContact CG2-CG 3.93Å; V42-L186 HydrophobicContact CG1-CD2 3.55Å; V42-L189 HydrophobicContact CG1-CD1 3.99Å; V42-L209 HydrophobicContact CB-CD1 4.05Å; V42-L209 HydrophobicContact CG2-CD1 4.09Å
43H98.7Very high98Very high34 Ų3443.3 Ų43.316%0.15723%0.234CC..EExtended strand (participates in β ladder)trans-68.4142.1173.9-75.9-93.3000111.5T12 L14 G26T12-H43 PolarHBondContact O-N 3Å; L14-H43 WeakPolarHBondContact CD2-O 3.37Å; G26-H43 WeakPolarHBondContact O-CA 3.31Å
44V98.5Very high98Very high5 Ų543.3 Ų43.33%0.0323%0.233CC..  trans-119.8127.4-176.6179.80000110.4G23 S24 E25 G26 K28 G210G23-V44 CarbonylContact C-O 3.58Å; G23-V44 WeakPolarHBondContact CA-O 3.37Å; S24-V44 PolarHBondContact N-O 3.32Å; E25-V44 HydrophobicContact CB-CB 4.19Å; E25-V44 HydrophobicContact CB-CG1 3.99Å; E25-V44 WeakPolarHBondContact CB-O 3.28Å; E25-V44 PolarHBondContact N-O 3.05Å; G26-V44 PolarHBondContact O-N 2.92Å; K28-V44 HydrophobicContact CB-CG2 3.93Å; K28-V44 HydrophobicContact CD-CG2 3.99Å; K28-V44 HydrophobicContact CG-CG2 3.74Å; V44-G210 VanDerWaalsContact CG1-CA 3.44Å
45G98.1Very high98.1Very high3 Ų349.1 Ų49.13%0.03126%0.26CS..  trans-89.4154.3176.600000112.9L209G45-L209 PolarHBondContact N-O 3.01Å
46G97Very high98.2Very high5 Ų547.8 Ų47.85%0.05225%0.252CS..  trans-111-15817200000111.7S24 K48 E49 V50S24-G46 PolarHBondContact OG-N 3.45Å; G46-K48 PolarHBondContact O-N 2.96Å; G46-E49 PolarHBondContact N-OE2 2.91Å; G46-E49 PolarHBondContact O-N 3.48Å; G46-V50 WeakPolarHBondContact O-CG2 3.42Å; G46-V50 PolarHBondContact O-N 3.44Å
47E98.5Very high98.4Very high124 Ų12445.8 Ų45.858%0.57923%0.232SC*.Hα-helixtrans-54.6-38.5179.1-51.1-171169.100112.1E49 V50 H51 T214 I218E47-E49 PolarHBondContact O-N 3.27Å; E47-V50 PolarHBondContact O-N 3.13Å; E47-H51 PolarHBondContact O-CD2 2.64Å; E47-H51 PolarHBondContact O-N 2.94Å; E47-T214 HydrophobicContact CG-CG2 3.83Å; E47-I218 HydrophobicContact CB-CD1 3.83Å; E47-I218 HydrophobicContact CG-CD1 3.77Å
48K98.5Very high98.5Very high144 Ų14443.7 Ų43.763%0.62622%0.224SC*.Hα-helixtrans-56.6-48.6179.8174.1171.1157.4-900112G46 A52G46-K48 PolarHBondContact O-N 2.96Å; K48-A52 WeakPolarHBondContact O-CB 3.31Å; K48-A52 PolarHBondContact O-N 3.02Å
49E98.8Very high98.6Very high7 Ų744.7 Ų44.73%0.03323%0.226CC..Hα-helixtrans-74.3-31.7-178.6-71.269.6-135.500111.8L14 I16 S24 G46 E47 A52 A53 V208L14-E49 HydrophobicContact CD1-CB 3.83Å; L14-E49 HydrophobicContact CD1-CG 3.67Å; I16-E49 HydrophobicContact CD1-CB 3.83Å; I16-E49 HydrophobicContact CD1-CG 4.25Å; I16-E49 WeakPolarHBondContact CD1-O 3.41Å; S24-E49 WeakPolarHBondContact CB-OE2 3.43Å; S24-E49 PolarHBondContact OG-OE2 3.48Å; G46-E49 PolarHBondContact N-OE2 2.91Å; G46-E49 PolarHBondContact O-N 3.48Å; E47-E49 PolarHBondContact O-N 3.27Å; E49-A52 PolarHBondContact O-N 3.36Å; E49-A53 WeakPolarHBondContact O-CB 3.35Å; E49-A53 PolarHBondContact O-N 2.96Å; E49-V208 HydrophobicContact CB-CG1 4.3Å
50V98.8Very high98.6Very high0 Ų043.9 Ų43.90%022%0.223CC..Hα-helixtrans-63-47.8172.5-1760000110.8G46 E47 A52 A53 I54 V208 I215 I218 L219G46-V50 WeakPolarHBondContact O-CG2 3.42Å; G46-V50 PolarHBondContact O-N 3.44Å; E47-V50 PolarHBondContact O-N 3.13Å; V50-A52 PolarHBondContact O-N 3.17Å; V50-A53 PolarHBondContact O-N 3.05Å; V50-I54 HydrophobicContact CG1-CD1 4.08Å; V50-I54 WeakPolarHBondContact O-CG1 3.39Å; V50-I54 PolarHBondContact O-N 2.85Å; V50-V208 HydrophobicContact CG2-CG1 3.96Å; V50-I215 HydrophobicContact CG1-CG2 4.33Å; V50-I215 HydrophobicContact CG2-CB 4.09Å; V50-I215 HydrophobicContact CG2-CD1 4.46Å; V50-I215 HydrophobicContact CG2-CG1 3.66Å; V50-I215 HydrophobicContact CG2-CG2 3.89Å; V50-I218 HydrophobicContact CB-CD1 4.43Å; V50-I218 HydrophobicContact CB-CG2 4.22Å; V50-I218 HydrophobicContact CG1-CB 3.93Å; V50-I218 HydrophobicContact CG1-CG2 3.48Å; V50-I218 VanDerWaalsContact CG1-CG2 3.48Å; V50-L219 HydrophobicContact CG1-CD2 4.01Å; V50-L219 HydrophobicContact CG1-CG 4.3Å
51H98.8Very high98.7Very high102 Ų10244.1 Ų44.147%0.47222%0.222SC..Hα-helixtrans-64.7-39.5177.2-73.9-59.9000112.5E47 A53 I54 E55E47-H51 PolarHBondContact O-CD2 2.64Å; E47-H51 PolarHBondContact O-N 2.94Å; H51-A53 VanDerWaalsContact C-N 3.31Å; H51-A53 PolarHBondContact O-N 3.16Å; H51-I54 PolarHBondContact O-N 3.05Å; H51-E55 WeakPolarHBondContact O-CB 3.26Å; H51-E55 PolarHBondContact O-N 3.2Å
52A98.9Very high98.7Very high39 Ų3942.2 Ų42.232%0.32222%0.218SC..Hα-helixtrans-62.2-38.7174.500000112.2I16 K48 E49 V50 A56I16-A52 HydrophobicContact CG2-CB 4.35Å; K48-A52 WeakPolarHBondContact O-CB 3.31Å; K48-A52 PolarHBondContact O-N 3.02Å; E49-A52 PolarHBondContact O-N 3.36Å; V50-A52 PolarHBondContact O-N 3.17Å; A52-A56 VanDerWaalsContact O-CB 3.31Å; A52-A56 WeakPolarHBondContact O-CB 3.42Å; A52-A56 PolarHBondContact O-N 2.87Å
53A98.9Very high98.7Very high0 Ų049.1 Ų49.10%025%0.25CC..Hα-helixtrans-68.7-39.2175.300000112.4I16 E49 V50 H51 A56 A57 I177 N206 V208I16-A53 HydrophobicContact CD1-CB 4.32Å; I16-A53 HydrophobicContact CG1-CB 4.32Å; I16-A53 HydrophobicContact CG2-CB 4.31Å; E49-A53 WeakPolarHBondContact O-CB 3.35Å; E49-A53 PolarHBondContact O-N 2.96Å; V50-A53 PolarHBondContact O-N 3.05Å; H51-A53 VanDerWaalsContact C-N 3.31Å; H51-A53 PolarHBondContact O-N 3.16Å; A53-A56 PolarHBondContact O-N 2.85Å; A53-A57 VanDerWaalsContact O-CB 3.31Å; A53-A57 WeakPolarHBondContact O-CB 3.31Å; A53-A57 PolarHBondContact O-N 3.12Å; A53-I177 HydrophobicContact CB-CG1 4.23Å; A53-I177 HydrophobicContact CB-CG2 3.88Å; A53-N206 HydrophobicContact CB-CB 4.07Å; A53-V208 HydrophobicContact CB-CG2 3.66Å
54I98.9Very high98.7Very high4 Ų447.6 Ų47.62%0.02124%0.243CC..Hα-helixtrans-60.7-49.2172.5-67.6165.8000110.7V50 H51 A56 A57 N58 I177 I218 L219 D224 V225V50-I54 HydrophobicContact CG1-CD1 4.08Å; V50-I54 WeakPolarHBondContact O-CG1 3.39Å; V50-I54 PolarHBondContact O-N 2.85Å; H51-I54 PolarHBondContact O-N 3.05Å; I54-A56 PolarHBondContact O-N 2.95Å; I54-A57 PolarHBondContact O-N 3.49Å; I54-N58 VanDerWaalsContact O-CB 3.28Å; I54-N58 WeakPolarHBondContact O-CB 3.3Å; I54-N58 PolarHBondContact O-N 2.89Å; I54-I177 HydrophobicContact CB-CD1 4.21Å; I54-I177 HydrophobicContact CG1-CD1 3.55Å; I54-I218 HydrophobicContact CD1-CG2 3.92Å; I54-L219 HydrophobicContact CD1-CD2 4.2Å; I54-L219 HydrophobicContact CG1-CD2 4.13Å; I54-D224 HydrophobicContact CG2-CB 3.71Å; I54-V225 HydrophobicContact CD1-CG2 4.4Å; I54-V225 HydrophobicContact CG1-CG2 4.17Å
55E98.9Very high98.7Very high124 Ų12449.3 Ų49.358%0.57926%0.255SS*.Hα-helixtrans-60.1-45.8179.1-178179.2-176.200111.4H51 N58 N59H51-E55 WeakPolarHBondContact O-CB 3.26Å; H51-E55 PolarHBondContact O-N 3.2Å; E55-N58 PolarHBondContact O-N 3.17Å; E55-N59 WeakPolarHBondContact CG-ND2 3.25Å; E55-N59 VanDerWaalsContact O-CB 3.3Å; E55-N59 WeakPolarHBondContact O-CB 3.3Å; E55-N59 PolarHBondContact O-N 3.3Å; E55-N59 PolarHBondContact O-ND2 2.91Å
56A98.9Very high98.7Very high7 Ų759 Ų596%0.05829%0.29CS..Hα-helixtrans-60.1-47.8176.900000112.2I16 N17 A52 A53 I54 N58 N59 A60I16-A56 HydrophobicContact CG2-CB 4.37Å; N17-A56 HydrophobicContact CB-CB 3.65Å; A52-A56 VanDerWaalsContact O-CB 3.31Å; A52-A56 WeakPolarHBondContact O-CB 3.42Å; A52-A56 PolarHBondContact O-N 2.87Å; A53-A56 PolarHBondContact O-N 2.85Å; I54-A56 PolarHBondContact O-N 2.95Å; A56-N58 PolarHBondContact O-N 3.1Å; A56-N59 PolarHBondContact O-N 2.78Å; A56-A60 WeakPolarHBondContact O-CB 3.27Å; A56-A60 PolarHBondContact O-N 2.88Å
57A99Very high98.8Very high0 Ų060.2 Ų60.20%030%0.297CS..Hα-helixtrans-64-39.9178.700000112.5A53 I54 F61 V148 T175 I177 G203A53-A57 VanDerWaalsContact O-CB 3.31Å; A53-A57 WeakPolarHBondContact O-CB 3.31Å; A53-A57 PolarHBondContact O-N 3.12Å; I54-A57 PolarHBondContact O-N 3.49Å; A57-F61 WeakPolarHBondContact O-CB 3.49Å; A57-F61 PolarHBondContact O-N 3.28Å; A57-F61 VanDerWaalsContact O-N 3.1Å; A57-V148 HydrophobicContact CB-CG1 3.65Å; A57-V148 HydrophobicContact CB-CG2 4.1Å; A57-T175 WeakPolarHBondContact O-CB 3.43Å; A57-T175 WeakPolarHBondContact O-CG2 3.21Å; A57-T175 PolarHBondContact O-OG1 3.16Å; A57-I177 HydrophobicContact CB-CD1 4.25Å; A57-I177 HydrophobicContact CB-CG1 4Å; A57-G203 VanDerWaalsContact CA-O 3.3Å; A57-G203 WeakPolarHBondContact CA-O 3.39Å
58N98.9Very high98.7Very high55 Ų5556.8 Ų56.829%0.29429%0.287SS..Hα-helixtrans-68.2-41.3177.7-165.228.1000111.7I54 E55 A56 F61 P62 V148 D224I54-N58 VanDerWaalsContact O-CB 3.28Å; I54-N58 WeakPolarHBondContact O-CB 3.3Å; I54-N58 PolarHBondContact O-N 2.89Å; E55-N58 PolarHBondContact O-N 3.17Å; A56-N58 PolarHBondContact O-N 3.1Å; N58-F61 PolarHBondContact O-N 3.41Å; N58-P62 WeakPolarHBondContact O-CD 3.24Å; N58-V148 HydrophobicContact CB-CG2 4.11Å; N58-D224 PolarHBondContact ND2-OD1 3.18Å
59N98.9Very high98.7Very high108 Ų10851.4 Ų51.458%0.57827%0.269SS*.Hα-helixtrans-66.9-36.2177.4-74.5-26.5000112.6E55 A56E55-N59 WeakPolarHBondContact CG-ND2 3.25Å; E55-N59 VanDerWaalsContact O-CB 3.3Å; E55-N59 WeakPolarHBondContact O-CB 3.3Å; E55-N59 PolarHBondContact O-N 3.3Å; E55-N59 PolarHBondContact O-ND2 2.91Å; A56-N59 PolarHBondContact O-N 2.78Å
60A98.9Very high98.7Very high14 Ų1453.8 Ų53.812%0.11629%0.29CS..Hα-helixtrans-75.6-26.9177.800000113.3A56 E63 W64 T175 D202 V204A56-A60 WeakPolarHBondContact O-CB 3.27Å; A56-A60 PolarHBondContact O-N 2.88Å; A60-E63 PolarHBondContact O-N 2.88Å; A60-W64 WeakPolarHBondContact O-CB 3.46Å; A60-W64 PolarHBondContact O-N 3.43Å; A60-T175 HydrophobicContact CB-CG2 4.09Å; A60-D202 VanDerWaalsContact CB-O 3.31Å; A60-D202 WeakPolarHBondContact CB-O 3.03Å; A60-V204 HydrophobicContact CB-CG2 4.3Å
61F98.9Very high98.7Very high44 Ų4459 Ų5919%0.19331%0.314CS..Hα-helixtrans-58.7-45.4-172.2173.4-108.6000115A57 N58 E63 W64 S65 A145 G147 G173 T175A57-F61 WeakPolarHBondContact O-CB 3.49Å; A57-F61 PolarHBondContact O-N 3.28Å; A57-F61 VanDerWaalsContact O-N 3.1Å; N58-F61 PolarHBondContact O-N 3.41Å; F61-E63 VanDerWaalsContact C-N 3.27Å; F61-E63 PolarHBondContact O-N 2.87Å; F61-W64 PolarHBondContact O-N 3.45Å; F61-S65 VanDerWaalsContact O-CB 3.22Å; F61-S65 WeakPolarHBondContact O-CB 3.3Å; F61-S65 PolarHBondContact O-N 2.93Å; F61-S65 PolarHBondContact O-OG 3.19Å; F61-A145 HydrophobicContact CE2-CB 3.78Å; F61-A145 HydrophobicContact CZ-CB 4.22Å; F61-G147 VanDerWaalsContact CE2-CA 3.48Å; F61-G173 WeakPolarHBondContact CE2-O 3.45Å; F61-T175 HydrophobicContact CB-CG2 4.03Å
62P98.7Very high98.7Very high60 Ų6055 Ų5539%0.3930%0.295SS..Hα-helixtrans-59.2-33.5-179.4-27.835000114.7N58 S65 R66N58-P62 WeakPolarHBondContact O-CD 3.24Å; P62-S65 PolarHBondContact O-OG 2.99Å; P62-R66 WeakPolarHBondContact O-CD 2.89Å; P62-R66 WeakPolarHBondContact O-CG 3.03Å
63E98.8Very high98.7Very high152 Ų15253.4 Ų53.471%0.7128%0.281SS*.Hα-helixtrans-81.3-50.5176.6-175.5168.4176.300110.5A60 F61 S65 R66 T67A60-E63 PolarHBondContact O-N 2.88Å; F61-E63 VanDerWaalsContact C-N 3.27Å; F61-E63 PolarHBondContact O-N 2.87Å; E63-S65 VanDerWaalsContact C-N 3.35Å; E63-S65 PolarHBondContact O-N 3.49Å; E63-R66 CarbonylContact O-C 3.54Å; E63-R66 WeakPolarHBondContact O-CA 3.5Å; E63-R66 PolarHBondContact O-N 3.35Å; E63-T67 PolarHBondContact O-N 2.94Å; E63-T67 PolarHBondContact O-OG1 3.35Å
64W98.8Very high98.7Very high3 Ų361.1 Ų61.11%0.01132%0.315CS..Hα-helixtrans-61.2-40.1-177.1-177-117.9000113.7A60 F61 R66 T67 R72 L75 I170 C174 T175 F200 P201 V204A60-W64 WeakPolarHBondContact O-CB 3.46Å; A60-W64 PolarHBondContact O-N 3.43Å; F61-W64 PolarHBondContact O-N 3.45Å; W64-R66 PolarHBondContact O-N 3.02Å; W64-T67 HydrophobicContact CE3-CG2 4.3Å; W64-T67 HydrophobicContact CZ3-CG2 4.11Å; W64-T67 WeakPolarHBondContact O-CB 3.42Å; W64-T67 PolarHBondContact O-N 3.23Å; W64-T67 PolarHBondContact O-OG1 2.95Å; W64-R72 HydrophobicContact CD2-CG 4.5Å; W64-R72 HydrophobicContact CE3-CG 4.42Å; W64-R72 HydrophobicContact CH2-CB 3.95Å; W64-R72 HydrophobicContact CH2-CG 3.6Å; W64-R72 HydrophobicContact CZ2-CB 4.03Å; W64-R72 HydrophobicContact CZ2-CG 3.65Å; W64-R72 HydrophobicContact CZ3-CG 4Å; W64-L75 HydrophobicContact CH2-CD1 3.79Å; W64-L75 HydrophobicContact CZ3-CD1 3.76Å; W64-I170 HydrophobicContact CZ2-CB 4.16Å; W64-C174 PolarHBondContact NE1-O 2.81Å; W64-C174 VanDerWaalsContact NE1-O 3.1Å; W64-T175 HydrophobicContact CB-CG2 4.28Å; W64-T175 HydrophobicContact CG-CG2 4.44Å; W64-F200 AromaticContact CH2-CD1 3.81Å; W64-F200 HydrophobicContact CH2-CD1 3.81Å; W64-F200 AromaticContact CH2-CE1 3.86Å; W64-F200 HydrophobicContact CH2-CE1 3.86Å; W64-F200 HydrophobicContact CZ2-CD1 4.11Å; W64-F200 HydrophobicContact CZ2-CE1 4.04Å; W64-P201 HydrophobicContact CE3-CG 3.99Å; W64-P201 HydrophobicContact CZ3-CG 4.11Å; W64-V204 HydrophobicContact CB-CG2 3.91Å; W64-V204 HydrophobicContact CD2-CG1 3.91Å; W64-V204 HydrophobicContact CD2-CG2 3.8Å; W64-V204 HydrophobicContact CE3-CG2 4.08Å; W64-V204 HydrophobicContact CG-CG1 4.08Å; W64-V204 HydrophobicContact CG-CG2 3.72Å; W64-V204 HydrophobicContact CZ2-CG1 4.09Å
65S98.5Very high98.7Very high41 Ų4162.7 Ų62.729%0.28732%0.323SS..THydrogen-bonded Turntrans-64.8-18.5176.362.10000113.4F61 P62 E63 G173F61-S65 VanDerWaalsContact O-CB 3.22Å; F61-S65 WeakPolarHBondContact O-CB 3.3Å; F61-S65 PolarHBondContact O-N 2.93Å; F61-S65 PolarHBondContact O-OG 3.19Å; P62-S65 PolarHBondContact O-OG 2.99Å; E63-S65 VanDerWaalsContact C-N 3.35Å; E63-S65 PolarHBondContact O-N 3.49Å; S65-G173 WeakPolarHBondContact CA-O 3.23Å
66R97.9Very high98.7Very high206 Ų20656.8 Ų56.878%0.77730%0.296SS*.THydrogen-bonded Turntrans-101.1-17.1177.2-66.6179-176.8144.11.1113.6P62 E63 W64 S68P62-R66 WeakPolarHBondContact O-CD 2.89Å; P62-R66 WeakPolarHBondContact O-CG 3.03Å; E63-R66 CarbonylContact O-C 3.54Å; E63-R66 WeakPolarHBondContact O-CA 3.5Å; E63-R66 PolarHBondContact O-N 3.35Å; W64-R66 PolarHBondContact O-N 3.02Å; R66-S68 PolarHBondContact O-N 3.5Å
67T98.7Very high98.7Very high31 Ų3158.8 Ų58.819%0.1931%0.305CS..SBendtrans-51.5134.1167.6-55.60000108.9E63 W64 E71 R72E63-T67 PolarHBondContact O-N 2.94Å; E63-T67 PolarHBondContact O-OG1 3.35Å; W64-T67 HydrophobicContact CE3-CG2 4.3Å; W64-T67 HydrophobicContact CZ3-CG2 4.11Å; W64-T67 WeakPolarHBondContact O-CB 3.42Å; W64-T67 PolarHBondContact O-N 3.23Å; W64-T67 PolarHBondContact O-OG1 2.95Å; T67-E71 HydrophobicContact CG2-CB 3.6Å; T67-R72 HydrophobicContact CG2-CG 3.81Å; T67-R72 PolarHBondContact O-NH1 3.01Å
68S98.2Very high98.7Very high52 Ų5263.1 Ų63.136%0.36432%0.324SS..  trans-65151.7-174.869.90000111.2R66 A70 E71 R72R66-S68 PolarHBondContact O-N 3.5Å; S68-A70 PolarHBondContact O-N 2.85Å; S68-E71 VanDerWaalsContact CB-OE2 3.29Å; S68-E71 WeakPolarHBondContact CB-OE2 3.43Å; S68-E71 PolarHBondContact N-OE2 2.83Å; S68-E71 PolarHBondContact O-N 2.93Å; S68-E71 WeakPolarHBondContact OG-CB 3.16Å; S68-E71 VanDerWaalsContact OG-CD 3.24Å; S68-E71 VanDerWaalsContact OG-CG 3.24Å; S68-E71 WeakPolarHBondContact OG-CG 3.28Å; S68-E71 PolarHBondContact OG-N 2.93Å; S68-E71 PolarHBondContact OG-OE2 2.68Å; S68-R72 PolarHBondContact O-N 2.62Å
69A98.2Very high98.7Very high31 Ų3160.5 Ų60.526%0.25631%0.31SS..Hα-helixtrans-57.4-33.3178.100000112.3A73 Q124A69-A73 WeakPolarHBondContact O-CB 3.22Å; A69-A73 PolarHBondContact O-N 3.48Å; A69-Q124 HydrophobicContact CB-CB 4.42Å; A69-Q124 HydrophobicContact CB-CG 3.87Å
70A98.7Very high98.7Very high57 Ų5755.3 Ų55.347%0.47128%0.283SS..Hα-helixtrans-67-40.417600000112.6S68 A73 K74S68-A70 PolarHBondContact O-N 2.85Å; A70-A73 PolarHBondContact O-N 2.79Å; A70-K74 WeakPolarHBondContact O-CB 3.23Å; A70-K74 PolarHBondContact O-N 3Å
71E98.8Very high98.7Very high109 Ų10957.8 Ų57.851%0.50929%0.294SS..Hα-helixtrans-68.7-43.1176.3-73163.2137.800111.7T67 S68 A73 K74 L75T67-E71 HydrophobicContact CG2-CB 3.6Å; S68-E71 VanDerWaalsContact CB-OE2 3.29Å; S68-E71 WeakPolarHBondContact CB-OE2 3.43Å; S68-E71 PolarHBondContact N-OE2 2.83Å; S68-E71 PolarHBondContact O-N 2.93Å; S68-E71 WeakPolarHBondContact OG-CB 3.16Å; S68-E71 VanDerWaalsContact OG-CD 3.24Å; S68-E71 VanDerWaalsContact OG-CG 3.24Å; S68-E71 WeakPolarHBondContact OG-CG 3.28Å; S68-E71 PolarHBondContact OG-N 2.93Å; S68-E71 PolarHBondContact OG-OE2 2.68Å; E71-A73 VanDerWaalsContact C-N 3.34Å; E71-A73 PolarHBondContact O-N 3.26Å; E71-K74 WeakPolarHBondContact O-CB 3.17Å; E71-K74 PolarHBondContact O-N 3.36Å; E71-L75 PolarHBondContact O-N 2.83Å
72R98.8Very high98.7Very high19 Ų1957 Ų577%0.07229%0.291CS..Hα-helixtrans-59.7-46.8173.6-61-161.1-57.9-94.42.2110.8W64 T67 S68 K74 L75 M76 I170 A171W64-R72 HydrophobicContact CD2-CG 4.5Å; W64-R72 HydrophobicContact CE3-CG 4.42Å; W64-R72 HydrophobicContact CH2-CB 3.95Å; W64-R72 HydrophobicContact CH2-CG 3.6Å; W64-R72 HydrophobicContact CZ2-CB 4.03Å; W64-R72 HydrophobicContact CZ2-CG 3.65Å; W64-R72 HydrophobicContact CZ3-CG 4Å; T67-R72 HydrophobicContact CG2-CG 3.81Å; T67-R72 PolarHBondContact O-NH1 3.01Å; S68-R72 PolarHBondContact O-N 2.62Å; R72-K74 VanDerWaalsContact C-N 3.29Å; R72-K74 PolarHBondContact O-N 2.76Å; R72-L75 PolarHBondContact O-N 3.07Å; R72-M76 WeakPolarHBondContact O-CG 3.45Å; R72-M76 PolarHBondContact O-N 2.85Å; R72-I170 WeakPolarHBondContact CD-O 3.48Å; R72-I170 PolarHBondContact NE-O 3.03Å; R72-A171 PolarHBondContact NE-O 2.93Å; R72-A171 PolarHBondContact NH2-O 3.49Å
73A98.8Very high98.7Very high4 Ų454.1 Ų54.13%0.03327%0.273CS..Hα-helixtrans-60.6-36.4176.900000112.6A69 A70 E71 M76 N77 A120 Q124A69-A73 WeakPolarHBondContact O-CB 3.22Å; A69-A73 PolarHBondContact O-N 3.48Å; A70-A73 PolarHBondContact O-N 2.79Å; E71-A73 VanDerWaalsContact C-N 3.34Å; E71-A73 PolarHBondContact O-N 3.26Å; A73-M76 PolarHBondContact O-N 2.82Å; A73-N77 WeakPolarHBondContact O-CB 3.48Å; A73-N77 PolarHBondContact O-N 3.42Å; A73-N77 PolarHBondContact O-ND2 2.97Å; A73-A120 HydrophobicContact CB-CB 4.02Å; A73-A120 WeakPolarHBondContact CB-O 3.41Å; A73-Q124 HydrophobicContact CB-CG 4.12Å
74K98.8Very high98.7Very high162 Ų16251.6 Ų51.670%0.70426%0.261SS*.Hα-helixtrans-60.9-45.3175.3-176.3-176.3176.3-174.30111.8A70 E71 R72 N77 K78A70-K74 WeakPolarHBondContact O-CB 3.23Å; A70-K74 PolarHBondContact O-N 3Å; E71-K74 WeakPolarHBondContact O-CB 3.17Å; E71-K74 PolarHBondContact O-N 3.36Å; R72-K74 VanDerWaalsContact C-N 3.29Å; R72-K74 PolarHBondContact O-N 2.76Å; K74-N77 PolarHBondContact O-N 2.79Å; K74-K78 PolarHBondContact O-N 3.37Å
75L98.9Very high98.7Very high37 Ų3758.9 Ų58.919%0.19430%0.295CS..Hα-helixtrans-65.8-42177.2-71169.4000112W64 E71 R72 N77 K78 M79 F200W64-L75 HydrophobicContact CH2-CD1 3.79Å; W64-L75 HydrophobicContact CZ3-CD1 3.76Å; E71-L75 PolarHBondContact O-N 2.83Å; R72-L75 PolarHBondContact O-N 3.07Å; L75-N77 VanDerWaalsContact C-N 3.35Å; L75-N77 PolarHBondContact O-N 3.49Å; L75-K78 PolarHBondContact O-N 3.47Å; L75-M79 PolarHBondContact O-N 3.09Å; L75-F200 HydrophobicContact CB-CD1 4.34Å; L75-F200 HydrophobicContact CB-CE1 3.83Å; L75-F200 HydrophobicContact CB-CE2 4.07Å; L75-F200 HydrophobicContact CB-CZ 3.69Å; L75-F200 HydrophobicContact CD1-CD1 4.31Å; L75-F200 HydrophobicContact CD1-CE1 4.48Å
76M98.9Very high98.7Very high0 Ų058.8 Ų58.80%029%0.292CS..Hα-helixtrans-64.3-38.2176.6-67.3178.171.800112.9R72 A73 M79 A80 N119 A120 S167 I170 A171 F200R72-M76 WeakPolarHBondContact O-CG 3.45Å; R72-M76 PolarHBondContact O-N 2.85Å; A73-M76 PolarHBondContact O-N 2.82Å; M76-M79 WeakPolarHBondContact O-CB 3.43Å; M76-M79 PolarHBondContact O-N 2.85Å; M76-A80 PolarHBondContact O-N 3.12Å; M76-N119 HydrophobicContact CE-CB 3.83Å; M76-A120 HydrophobicContact CB-CB 3.8Å; M76-A120 HydrophobicContact CE-CB 4.23Å; M76-A120 HydrophobicContact SD-CB 4.09Å; M76-S167 WeakPolarHBondContact CE-O 3.26Å; M76-I170 HydrophobicContact CE-CD1 4.31Å; M76-I170 HydrophobicContact CE-CG1 4.06Å; M76-I170 HydrophobicContact CG-CD1 3.85Å; M76-I170 HydrophobicContact CG-CG1 4.1Å; M76-I170 HydrophobicContact SD-CD1 4.31Å; M76-I170 HydrophobicContact SD-CG1 3.92Å; M76-A171 HydrophobicContact CE-CB 3.95Å; M76-A171 HydrophobicContact SD-CB 3.79Å; M76-F200 HydrophobicContact CG-CE1 4.43Å; M76-F200 HydrophobicContact CG-CZ 4.11Å
77N98.9Very high98.7Very high49 Ų4949.5 Ų49.526%0.26226%0.259SS..Hα-helixtrans-65.4-42.3174.2-83.2-62.1000111.6A73 K74 L75 M79 A80 D81 R117A73-N77 WeakPolarHBondContact O-CB 3.48Å; A73-N77 PolarHBondContact O-N 3.42Å; A73-N77 PolarHBondContact O-ND2 2.97Å; K74-N77 PolarHBondContact O-N 2.79Å; L75-N77 VanDerWaalsContact C-N 3.35Å; L75-N77 PolarHBondContact O-N 3.49Å; N77-M79 VanDerWaalsContact C-N 3.32Å; N77-M79 PolarHBondContact O-N 2.98Å; N77-A80 WeakPolarHBondContact O-CB 3.48Å; N77-A80 PolarHBondContact O-N 2.9Å; N77-A80 VanDerWaalsContact O-N 3.16Å; N77-D81 PolarHBondContact O-N 3.47Å; N77-D81 VanDerWaalsContact O-OD2 3.12Å; N77-R117 PolarHBondContact O-NH1 3.44Å; N77-R117 VanDerWaalsContact O-NH1 3.08Å; N77-R117 WeakPolarHBondContact OD1-CD 3.13Å; N77-R117 PolarHBondContact OD1-NH1 3.21Å
78K98.9Very high98.7Very high91 Ų9152.9 Ų52.940%0.39628%0.276SS..Hα-helixtrans-61.5-40.7173.3-178.6-178.1168.8-157.10111.8K74 L75 A80 D81 L82 Q197 A198K74-K78 PolarHBondContact O-N 3.37Å; L75-K78 PolarHBondContact O-N 3.47Å; K78-A80 VanDerWaalsContact C-N 3.3Å; K78-A80 PolarHBondContact O-N 2.86Å; K78-D81 WeakPolarHBondContact O-CB 3.45Å; K78-D81 PolarHBondContact O-N 3.46Å; K78-L82 HydrophobicContact CG-CD1 4.43Å; K78-L82 WeakPolarHBondContact O-CG 3.33Å; K78-L82 PolarHBondContact O-N 2.99Å; K78-Q197 PolarHBondContact NZ-O 3.17Å; K78-A198 WeakPolarHBondContact CD-O 3.42Å; K78-A198 WeakPolarHBondContact CE-O 3.24Å; K78-A198 VanDerWaalsContact NZ-C 3.3Å; K78-A198 PolarHBondContact NZ-O 2.7Å
79M98.8Very high98.8Very high0 Ų052.7 Ų52.70%027%0.267CS..Hα-helixtrans-59.8-42.2173.5-179.364.6-173.700111.5L75 M76 N77 L82 V83 L116 L191 L194 F195 A198 F200L75-M79 PolarHBondContact O-N 3.09Å; M76-M79 WeakPolarHBondContact O-CB 3.43Å; M76-M79 PolarHBondContact O-N 2.85Å; N77-M79 VanDerWaalsContact C-N 3.32Å; N77-M79 PolarHBondContact O-N 2.98Å; M79-L82 PolarHBondContact O-N 2.99Å; M79-V83 HydrophobicContact CE-CG2 3.7Å; M79-V83 HydrophobicContact CG-CG2 4.45Å; M79-V83 VanDerWaalsContact O-CG2 3.29Å; M79-V83 WeakPolarHBondContact O-CG2 3.34Å; M79-V83 PolarHBondContact O-N 2.87Å; M79-V83 HydrophobicContact SD-CG2 4.41Å; M79-L116 HydrophobicContact CB-CD1 4.34Å; M79-L116 HydrophobicContact CB-CD2 4.41Å; M79-L116 HydrophobicContact CG-CD1 3.74Å; M79-L116 HydrophobicContact CG-CD2 4.03Å; M79-L191 HydrophobicContact CE-CD2 4.26Å; M79-L194 HydrophobicContact CE-CB 3.61Å; M79-L194 HydrophobicContact SD-CB 3.74Å; M79-F195 HydrophobicContact CE-CD1 4.35Å; M79-F195 HydrophobicContact CE-CD2 3.55Å; M79-F195 HydrophobicContact CE-CE1 4.37Å; M79-F195 HydrophobicContact CE-CE2 3.58Å; M79-F195 HydrophobicContact CE-CG 3.95Å; M79-F195 HydrophobicContact CE-CZ 3.99Å; M79-F195 HydrophobicContact CG-CD1 4.45Å; M79-F195 HydrophobicContact CG-CE1 4.18Å; M79-F195 HydrophobicContact CG-CZ 4.37Å; M79-F195 HydrophobicContact SD-CD1 4.09Å; M79-F195 HydrophobicContact SD-CD2 4.27Å; M79-F195 HydrophobicContact SD-CE1 4.33Å; M79-F195 HydrophobicContact SD-CG 4.04Å; M79-A198 HydrophobicContact CB-CB 4.19Å; M79-A198 HydrophobicContact SD-CB 4.25Å; M79-F200 HydrophobicContact CB-CE2 4.09Å
80A98.9Very high98.8Very high0 Ų051.4 Ų51.40%026%0.256CS..Hα-helixtrans-63.9-40.1177.200000112.2M76 N77 K78 V83 E84 V113 L116 R117M76-A80 PolarHBondContact O-N 3.12Å; N77-A80 WeakPolarHBondContact O-CB 3.48Å; N77-A80 PolarHBondContact O-N 2.9Å; N77-A80 VanDerWaalsContact O-N 3.16Å; K78-A80 VanDerWaalsContact C-N 3.3Å; K78-A80 PolarHBondContact O-N 2.86Å; A80-V83 PolarHBondContact O-N 2.71Å; A80-E84 WeakPolarHBondContact O-CB 3.39Å; A80-E84 PolarHBondContact O-N 3.22Å; A80-V113 HydrophobicContact CB-CG1 4.21Å; A80-L116 HydrophobicContact CB-CB 3.79Å; A80-L116 HydrophobicContact CB-CD1 4.08Å; A80-R117 HydrophobicContact CB-CG 4.14Å; A80-R117 VanDerWaalsContact CB-NE 3.31Å
81D98.9Very high98.8Very high65 Ų6548.7 Ų48.735%0.34823%0.233SC..Hα-helixtrans-57.8-49.5172.4-61.9-46.8000110.5N77 K78 V83 E84 E85 R117N77-D81 PolarHBondContact O-N 3.47Å; N77-D81 VanDerWaalsContact O-OD2 3.12Å; K78-D81 WeakPolarHBondContact O-CB 3.45Å; K78-D81 PolarHBondContact O-N 3.46Å; D81-V83 PolarHBondContact O-N 2.79Å; D81-E84 PolarHBondContact O-N 3.14Å; D81-E85 WeakPolarHBondContact O-CB 3.5Å; D81-E85 VanDerWaalsContact O-CG 3.3Å; D81-E85 WeakPolarHBondContact O-CG 3.4Å; D81-E85 PolarHBondContact O-N 2.93Å; D81-R117 IonicContact OD1-CZ 2.71Å; D81-R117 IonicContact OD1-NH1 2.69Å; D81-R117 IonicContact OD1-NH2 3.46Å; D81-R117 PolarHBondContact OD1-NH2 2.98Å; D81-R117 IonicContact OD2-NH2 3.78Å
82L98.9Very high98.8Very high27 Ų2744.2 Ų44.214%0.14121%0.213CC..Hα-helixtrans-62.8-39.6-179.4-70.1170.7000113K78 M79 D86 L194 Q197 A198K78-L82 HydrophobicContact CG-CD1 4.43Å; K78-L82 WeakPolarHBondContact O-CG 3.33Å; K78-L82 PolarHBondContact O-N 2.99Å; M79-L82 PolarHBondContact O-N 2.99Å; L82-D86 WeakPolarHBondContact O-CB 3.44Å; L82-D86 PolarHBondContact O-N 3.2Å; L82-L194 HydrophobicContact CB-CB 4.47Å; L82-L194 HydrophobicContact CB-CD2 4.34Å; L82-Q197 HydrophobicContact CD1-CB 3.97Å; L82-A198 HydrophobicContact CD1-CB 3.95Å
83V98.9Very high98.8Very high0 Ų043.3 Ų43.30%021%0.21CC..Hα-helixtrans-65.8-39.7176.6170.50000111.3M79 A80 D81 A87 L90 I109 N112 V113 L116 L191 L194M79-V83 HydrophobicContact CE-CG2 3.7Å; M79-V83 HydrophobicContact CG-CG2 4.45Å; M79-V83 VanDerWaalsContact O-CG2 3.29Å; M79-V83 WeakPolarHBondContact O-CG2 3.34Å; M79-V83 PolarHBondContact O-N 2.87Å; M79-V83 HydrophobicContact SD-CG2 4.41Å; A80-V83 PolarHBondContact O-N 2.71Å; D81-V83 PolarHBondContact O-N 2.79Å; V83-A87 PolarHBondContact O-N 2.71Å; V83-L90 HydrophobicContact CB-CD1 4.47Å; V83-L90 HydrophobicContact CG1-CD1 4Å; V83-I109 HydrophobicContact CG1-CG2 3.65Å; V83-N112 HydrophobicContact CG1-CB 3.97Å; V83-V113 HydrophobicContact CB-CG2 4.32Å; V83-V113 HydrophobicContact CG1-CG2 3.88Å; V83-L116 HydrophobicContact CG2-CD1 4.2Å; V83-L191 HydrophobicContact CG2-CD2 4.18Å; V83-L194 HydrophobicContact CB-CD1 4.43Å; V83-L194 HydrophobicContact CG2-CD1 3.79Å
84E98.7Very high98.8Very high100 Ų10043.1 Ų43.147%0.46721%0.208SC..Hα-helixtrans-68-43.2177.1-171.4171.2-15300111.5A80 D81 D86 A87 V113A80-E84 WeakPolarHBondContact O-CB 3.39Å; A80-E84 PolarHBondContact O-N 3.22Å; D81-E84 PolarHBondContact O-N 3.14Å; E84-D86 VanDerWaalsContact C-N 3.33Å; E84-D86 PolarHBondContact O-N 3.46Å; E84-A87 WeakPolarHBondContact O-CB 3.46Å; E84-A87 PolarHBondContact O-N 2.88Å; E84-V113 HydrophobicContact CB-CG2 3.92Å
85E98.8Very high98.8Very high156 Ų15635.4 Ų35.473%0.72918%0.175SC*.Hα-helixtrans-64.1-34.4178.2-73.8174-177.100112.9D81D81-E85 WeakPolarHBondContact O-CB 3.5Å; D81-E85 VanDerWaalsContact O-CG 3.3Å; D81-E85 WeakPolarHBondContact O-CG 3.4Å; D81-E85 PolarHBondContact O-N 2.93Å
86D98.7Very high98.8Very high39 Ų3934.1 Ų34.121%0.20917%0.168CC..THydrogen-bonded Turntrans-98.814.4-177.5-159.827.9000113.2L82 E84 D88 R89 L90 L194L82-D86 WeakPolarHBondContact O-CB 3.44Å; L82-D86 PolarHBondContact O-N 3.2Å; E84-D86 VanDerWaalsContact C-N 3.33Å; E84-D86 PolarHBondContact O-N 3.46Å; D86-D88 VanDerWaalsContact C-N 3.31Å; D86-D88 PolarHBondContact O-N 3.11Å; D86-R89 VanDerWaalsContact CG-NE 3.34Å; D86-R89 PolarHBondContact O-N 3.29Å; D86-R89 VanDerWaalsContact O-N 3.08Å; D86-R89 WeakPolarHBondContact OD1-CB 3.46Å; D86-R89 IonicContact OD1-NE 2.87Å; D86-R89 PolarHBondContact OD1-NE 2.89Å; D86-R89 VanDerWaalsContact OD1-NE 3.16Å; D86-R89 IonicContact OD2-CZ 2.8Å; D86-R89 IonicContact OD2-NE 2.63Å; D86-R89 PolarHBondContact OD2-NE 3.07Å; D86-R89 IonicContact OD2-NH2 3.69Å; D86-R89 PolarHBondContact OD2-NH2 2.86Å; D86-L90 HydrophobicContact CB-CD1 4.48Å; D86-L90 HydrophobicContact CB-CG 4.41Å; D86-L90 WeakPolarHBondContact O-CG 3.2Å; D86-L90 PolarHBondContact O-N 3.12Å; D86-L194 HydrophobicContact CB-CD1 4.34Å; D86-L194 HydrophobicContact CB-CD2 4.44Å
87A98.8Very high98.8Very high11 Ų1134.1 Ų34.19%0.09117%0.168CC..Hα-helixtrans-58.9-36.8-167.900000114.4V83 E84 A91 I109V83-A87 PolarHBondContact O-N 2.71Å; E84-A87 WeakPolarHBondContact O-CB 3.46Å; E84-A87 PolarHBondContact O-N 2.88Å; A87-A91 VanDerWaalsContact O-CB 3.22Å; A87-A91 WeakPolarHBondContact O-CB 3.18Å; A87-A91 PolarHBondContact O-N 2.92Å; A87-I109 HydrophobicContact CB-CG2 3.83Å
88D98.5Very high98.7Very high102 Ų10231.8 Ų31.855%0.54516%0.155SC..Hα-helixtrans-67.4-38.7178.6-77-22.6000112.2D86 T92 K106D86-D88 VanDerWaalsContact C-N 3.31Å; D86-D88 PolarHBondContact O-N 3.11Å; D88-T92 WeakPolarHBondContact O-CB 3.21Å; D88-T92 PolarHBondContact O-N 3.02Å; D88-T92 PolarHBondContact O-OG1 3.45Å; D88-K106 WeakPolarHBondContact OD1-CE 3.31Å; D88-K106 IonicContact OD1-NZ 3.15Å; D88-K106 PolarHBondContact OD1-NZ 3.36Å
89R98.6Very high98.7Very high47 Ų4727.5 Ų27.518%0.17714%0.137CC..Hα-helixtrans-67.9-48.4176.9-169.6-175.368.6106.9-2.1110.2P8 A9 D86 A91 T92 I93 E193P8-R89 HydrophobicContact CB-CG 3.66Å; P8-R89 HydrophobicContact CG-CG 4.34Å; A9-R89 PolarHBondContact O-NH1 2.94Å; D86-R89 VanDerWaalsContact CG-NE 3.34Å; D86-R89 PolarHBondContact O-N 3.29Å; D86-R89 VanDerWaalsContact O-N 3.08Å; D86-R89 WeakPolarHBondContact OD1-CB 3.46Å; D86-R89 IonicContact OD1-NE 2.87Å; D86-R89 PolarHBondContact OD1-NE 2.89Å; D86-R89 VanDerWaalsContact OD1-NE 3.16Å; D86-R89 IonicContact OD2-CZ 2.8Å; D86-R89 IonicContact OD2-NE 2.63Å; D86-R89 PolarHBondContact OD2-NE 3.07Å; D86-R89 IonicContact OD2-NH2 3.69Å; D86-R89 PolarHBondContact OD2-NH2 2.86Å; R89-A91 VanDerWaalsContact C-N 3.35Å; R89-A91 PolarHBondContact O-N 2.86Å; R89-T92 PolarHBondContact O-N 3.24Å; R89-I93 HydrophobicContact CG-CD1 4.05Å; R89-I93 WeakPolarHBondContact O-CG1 3.3Å; R89-I93 PolarHBondContact O-N 2.79Å; R89-E193 IonicContact CZ-OE2 2.69Å; R89-E193 VanDerWaalsContact CZ-OE2 3.23Å; R89-E193 IonicContact NH1-OE2 2.65Å; R89-E193 PolarHBondContact NH1-OE2 3.34Å; R89-E193 IonicContact NH2-OE2 2.64Å; R89-E193 PolarHBondContact NH2-OE2 3.42Å
90L98.9Very high98.7Very high4 Ų427.6 Ų27.62%0.02114%0.138CC..Hα-helixtrans-59.6-44.9179.5-64.4176.2000111.6V83 D86 I93 M94 I109 A190 L194V83-L90 HydrophobicContact CB-CD1 4.47Å; V83-L90 HydrophobicContact CG1-CD1 4Å; D86-L90 HydrophobicContact CB-CD1 4.48Å; D86-L90 HydrophobicContact CB-CG 4.41Å; D86-L90 WeakPolarHBondContact O-CG 3.2Å; D86-L90 PolarHBondContact O-N 3.12Å; L90-I93 PolarHBondContact O-N 2.85Å; L90-M94 WeakPolarHBondContact O-CB 3.34Å; L90-M94 PolarHBondContact O-N 3.22Å; L90-I109 HydrophobicContact CB-CD1 3.61Å; L90-I109 HydrophobicContact CB-CG1 3.89Å; L90-I109 HydrophobicContact CD1-CD1 4.23Å; L90-I109 HydrophobicContact CD1-CG2 4.06Å; L90-A190 HydrophobicContact CD2-CB 3.63Å; L90-L194 HydrophobicContact CD1-CD1 3.85Å; L90-L194 HydrophobicContact CD2-CD1 4.24Å; L90-L194 HydrophobicContact CG-CD1 4.47Å
91A98.8Very high98.7Very high0 Ų027.6 Ų27.60%014%0.138CC..Hα-helixtrans-64.7-41.3177.400000112.2A87 R89 M94 T95 A105 K106 I109A87-A91 VanDerWaalsContact O-CB 3.22Å; A87-A91 WeakPolarHBondContact O-CB 3.18Å; A87-A91 PolarHBondContact O-N 2.92Å; R89-A91 VanDerWaalsContact C-N 3.35Å; R89-A91 PolarHBondContact O-N 2.86Å; A91-M94 PolarHBondContact O-N 3.31Å; A91-T95 WeakPolarHBondContact O-CB 3.3Å; A91-T95 PolarHBondContact O-N 2.66Å; A91-T95 PolarHBondContact O-OG1 2.96Å; A91-A105 HydrophobicContact CB-CB 3.91Å; A91-K106 HydrophobicContact CB-CB 4.36Å; A91-K106 HydrophobicContact CB-CG 3.49Å; A91-K106 VanDerWaalsContact CB-CG 3.49Å; A91-I109 HydrophobicContact CB-CG1 4.4Å
92T98.7Very high98.7Very high15 Ų1526 Ų269%0.09213%0.129CC..Hα-helixtrans-62.3-47.8177.1-57.80000111.3P8 D88 R89 M94 T95 M96 L321P8-T92 HydrophobicContact CG-CG2 3.67Å; D88-T92 WeakPolarHBondContact O-CB 3.21Å; D88-T92 PolarHBondContact O-N 3.02Å; D88-T92 PolarHBondContact O-OG1 3.45Å; R89-T92 PolarHBondContact O-N 3.24Å; T92-M94 VanDerWaalsContact C-N 3.34Å; T92-M94 PolarHBondContact O-N 2.93Å; T92-T95 PolarHBondContact O-N 3.26Å; T92-M96 HydrophobicContact CG2-CG 4.49Å; T92-M96 HydrophobicContact CG2-SD 4.07Å; T92-M96 VanDerWaalsContact O-CG 3.29Å; T92-M96 WeakPolarHBondContact O-CG 3.48Å; T92-M96 PolarHBondContact O-N 3.33Å; T92-L321 HydrophobicContact CG2-CD2 4.22Å
93I98.8Very high98.6Very high0 Ų029 Ų290%015%0.148CC..Hα-helixtrans-57-49.4177.2-70.7167.8000110.3P8 V10 R89 L90 T95 M96 E97 L186 A190P8-I93 HydrophobicContact CB-CD1 4.27Å; P8-I93 HydrophobicContact CB-CG1 4.04Å; P8-I93 HydrophobicContact CG-CG1 4.04Å; V10-I93 HydrophobicContact CB-CD1 4.03Å; V10-I93 HydrophobicContact CG2-CD1 4.25Å; R89-I93 HydrophobicContact CG-CD1 4.05Å; R89-I93 WeakPolarHBondContact O-CG1 3.3Å; R89-I93 PolarHBondContact O-N 2.79Å; L90-I93 PolarHBondContact O-N 2.85Å; I93-T95 PolarHBondContact O-N 2.71Å; I93-M96 PolarHBondContact O-N 3.13Å; I93-E97 WeakPolarHBondContact O-CG 3.48Å; I93-E97 PolarHBondContact O-N 3.19Å; I93-E97 VanDerWaalsContact O-N 3.07Å; I93-L186 HydrophobicContact CG2-CB 3.53Å; I93-A190 HydrophobicContact CD1-CB 3.99Å
94M98.8Very high98.6Very high0 Ų031.3 Ų31.30%016%0.159CC..Hα-helixtrans-58.7-49.5179179.5-170.9-58.100112L90 A91 T92 M96 E97 Q98 K100 A105 E108 I109 P158L90-M94 WeakPolarHBondContact O-CB 3.34Å; L90-M94 PolarHBondContact O-N 3.22Å; A91-M94 PolarHBondContact O-N 3.31Å; T92-M94 VanDerWaalsContact C-N 3.34Å; T92-M94 PolarHBondContact O-N 2.93Å; M94-M96 VanDerWaalsContact C-N 3.27Å; M94-M96 PolarHBondContact O-N 3.12Å; M94-E97 PolarHBondContact O-N 3.32Å; M94-Q98 WeakPolarHBondContact O-CB 3.27Å; M94-Q98 PolarHBondContact O-N 2.99Å; M94-K100 HydrophobicContact CG-CD 4.45Å; M94-K100 HydrophobicContact SD-CD 3.73Å; M94-K100 HydrophobicContact SD-CG 4.38Å; M94-A105 HydrophobicContact CB-CB 4.35Å; M94-A105 HydrophobicContact CG-CB 4.29Å; M94-A105 HydrophobicContact SD-CB 3.68Å; M94-E108 HydrophobicContact CE-CB 4.07Å; M94-E108 HydrophobicContact CE-CG 3.91Å; M94-E108 WeakPolarHBondContact CE-OE1 3.32Å; M94-E108 HydrophobicContact SD-CB 4.16Å; M94-E108 HydrophobicContact SD-CG 4.35Å; M94-I109 HydrophobicContact CE-CD1 3.74Å; M94-P158 HydrophobicContact CE-CG 4.49Å; M94-P158 HydrophobicContact CG-CG 3.79Å; M94-P158 HydrophobicContact SD-CG 4.43Å
95T98.8Very high98.6Very high0 Ų026.5 Ų26.50%014%0.137CC..Hα-helixtrans-59.1-40178.2-74.30000111.5A91 T92 I93 G99 K100 L102 A105 L321A91-T95 WeakPolarHBondContact O-CB 3.3Å; A91-T95 PolarHBondContact O-N 2.66Å; A91-T95 PolarHBondContact O-OG1 2.96Å; T92-T95 PolarHBondContact O-N 3.26Å; I93-T95 PolarHBondContact O-N 2.71Å; T95-G99 WeakPolarHBondContact O-CA 3Å; T95-G99 PolarHBondContact O-N 2.66Å; T95-K100 WeakPolarHBondContact CB-O 3.2Å; T95-K100 WeakPolarHBondContact CG2-O 3.35Å; T95-K100 PolarHBondContact OG1-O 3.3Å; T95-L102 HydrophobicContact CG2-CD2 4.23Å; T95-L102 HydrophobicContact CG2-CG 4.23Å; T95-A105 WeakPolarHBondContact OG1-CB 3.31Å; T95-L321 HydrophobicContact CG2-CD2 3.72Å; T95-L321 HydrophobicContact CG2-CG 3.96Å
96M98.6Very high98.6Very high10 Ų1023 Ų235%0.04912%0.119CC..Hα-helixtrans-68-44.7-179.9-70.2-178.381.900112.7Q5 L7 N32 L39 T92 I93 M94 L321Q5-M96 VanDerWaalsContact O-CE 3.23Å; Q5-M96 WeakPolarHBondContact O-CE 3.11Å; L7-M96 HydrophobicContact CB-CE 4.16Å; L7-M96 HydrophobicContact CB-SD 4.39Å; L7-M96 HydrophobicContact CD1-CB 4.35Å; L7-M96 HydrophobicContact CD1-CE 4.42Å; L7-M96 HydrophobicContact CD1-SD 3.95Å; N32-M96 WeakPolarHBondContact CA-O 3.49Å; N32-M96 WeakPolarHBondContact CB-O 3.35Å; N32-M96 PolarHBondContact ND2-O 2.89Å; N32-M96 PolarHBondContact OD1-O 3.07Å; L39-M96 HydrophobicContact CD1-CB 4.01Å; L39-M96 WeakPolarHBondContact CD1-O 3.31Å; L39-M96 HydrophobicContact CD2-CB 4.33Å; L39-M96 HydrophobicContact CD2-CE 3.79Å; T92-M96 HydrophobicContact CG2-CG 4.49Å; T92-M96 HydrophobicContact CG2-SD 4.07Å; T92-M96 VanDerWaalsContact O-CG 3.29Å; T92-M96 WeakPolarHBondContact O-CG 3.48Å; T92-M96 PolarHBondContact O-N 3.33Å; I93-M96 PolarHBondContact O-N 3.13Å; M94-M96 VanDerWaalsContact C-N 3.27Å; M94-M96 PolarHBondContact O-N 3.12Å; M96-L321 HydrophobicContact CG-CD1 4.01Å; M96-L321 HydrophobicContact CG-CD2 4.08Å; M96-L321 HydrophobicContact CG-CG 4.31Å
97E98.3Very high98.6Very high0 Ų022.9 Ų22.90%013%0.127CC..Hα-helixtrans-83.2-26.7-177.471.3174.8175.200114.1V30 P33 L39 I93 M94 T184 P185 L186 S187V30-E97 HydrophobicContact CG1-CB 3.88Å; P33-E97 WeakPolarHBondContact CD-O 3.3Å; L39-E97 HydrophobicContact CD1-CB 4.06Å; I93-E97 WeakPolarHBondContact O-CG 3.48Å; I93-E97 PolarHBondContact O-N 3.19Å; I93-E97 VanDerWaalsContact O-N 3.07Å; M94-E97 PolarHBondContact O-N 3.32Å; E97-T184 VanDerWaalsContact CD-CA 3.42Å; E97-T184 HydrophobicContact CG-CG2 4.15Å; E97-T184 WeakPolarHBondContact OE2-CA 3.5Å; E97-P185 WeakPolarHBondContact OE2-CD 3.27Å; E97-L186 HydrophobicContact CB-CD1 4.37Å; E97-L186 WeakPolarHBondContact OE2-CA 3.44Å; E97-L186 WeakPolarHBondContact OE2-CB 3.22Å; E97-L186 WeakPolarHBondContact OE2-CG 3.43Å; E97-L186 PolarHBondContact OE2-N 3.06Å; E97-S187 WeakPolarHBondContact OE1-CA 3.43Å; E97-S187 WeakPolarHBondContact OE1-CB 3.49Å; E97-S187 PolarHBondContact OE1-N 3.43Å; E97-S187 PolarHBondContact OE1-OG 3.39Å
98Q98.7Very high98.6Very high0 Ų022.7 Ų22.70%012%0.124CC..Hα-helixtrans-110.6-28.4-172.6-168.6-79.1-36.100112.7P33 M94 K100 W155 P158 T184 N283 I330P33-Q98 VanDerWaalsContact CG-C 3.46Å; P33-Q98 WeakPolarHBondContact CG-O 3.17Å; M94-Q98 WeakPolarHBondContact O-CB 3.27Å; M94-Q98 PolarHBondContact O-N 2.99Å; Q98-K100 VanDerWaalsContact OE1-CG 3.28Å; Q98-W155 VanDerWaalsContact CG-O 3.27Å; Q98-W155 WeakPolarHBondContact CG-O 3.43Å; Q98-P158 HydrophobicContact CB-CG 4.35Å; Q98-P158 HydrophobicContact CG-CG 4.33Å; Q98-T184 HydrophobicContact CB-CG2 3.68Å; Q98-T184 HydrophobicContact CG-CG2 3.79Å; Q98-N283 PolarHBondContact NE2-ND2 2.9Å; Q98-N283 PolarHBondContact NE2-OD1 2.9Å; Q98-N283 PolarHBondContact OE1-OD1 2.81Å; Q98-I330 HydrophobicContact CG-CD1 4.21Å
99G98.5Very high98.6Very high1 Ų117.8 Ų17.81%0.0110%0.098CC..  trans98.2-15.1173.800000116.1T95 G320 P328T95-G99 WeakPolarHBondContact O-CA 3Å; T95-G99 PolarHBondContact O-N 2.66Å; G99-G320 WeakPolarHBondContact O-CA 3.21Å; G99-P328 VanDerWaalsContact O-CD 3.29Å; G99-P328 WeakPolarHBondContact O-CD 3.37Å
100K98.5Very high98.6Very high2 Ų219.1 Ų19.11%0.00911%0.106CC..  trans-61.6149.6-178.171-176.868.8-173.90112.7M94 T95 Q98 Q104 A105 E108 N156 N283M94-K100 HydrophobicContact CG-CD 4.45Å; M94-K100 HydrophobicContact SD-CD 3.73Å; M94-K100 HydrophobicContact SD-CG 4.38Å; T95-K100 WeakPolarHBondContact CB-O 3.2Å; T95-K100 WeakPolarHBondContact CG2-O 3.35Å; T95-K100 PolarHBondContact OG1-O 3.3Å; Q98-K100 VanDerWaalsContact OE1-CG 3.28Å; K100-Q104 HydrophobicContact CD-CB 4.37Å; K100-A105 HydrophobicContact CD-CB 4.19Å; K100-A105 HydrophobicContact CG-CB 4.02Å; K100-E108 IonicContact NZ-OE2 2.93Å; K100-E108 PolarHBondContact NZ-OE2 2.78Å; K100-N156 WeakPolarHBondContact CE-O 3.45Å; K100-N156 PolarHBondContact NZ-O 3.5Å; K100-N283 WeakPolarHBondContact CB-OD1 3.37Å
101P98.6Very high98.6Very high1 Ų120.8 Ų20.81%0.00612%0.117CC..  trans-53.2143.2175.6-27.335.6000113.5T103 Q104 A105 D323 P324P101-T103 VanDerWaalsContact C-N 3.27Å; P101-T103 PolarHBondContact O-N 3.25Å; P101-Q104 HydrophobicContact CB-CG 4.25Å; P101-Q104 HydrophobicContact CG-CG 4.48Å; P101-Q104 WeakPolarHBondContact O-CA 3.37Å; P101-Q104 WeakPolarHBondContact O-CB 3.34Å; P101-Q104 PolarHBondContact O-N 3.49Å; P101-A105 PolarHBondContact O-N 3.48Å; P101-D323 WeakPolarHBondContact CB-OD1 3.27Å; P101-P324 WeakPolarHBondContact CB-O 3.41Å; P101-P324 HydrophobicContact CG-CG 4.34Å; P101-P324 WeakPolarHBondContact CG-O 3.17Å
102L98.5Very high98.6Very high31 Ų3120.8 Ų20.816%0.16212%0.117CC..Hα-helixtrans-52.7-42.1-177.6-82.6172.2000113T95 Q104 A105 K106 G320 L321 D323T95-L102 HydrophobicContact CG2-CD2 4.23Å; T95-L102 HydrophobicContact CG2-CG 4.23Å; L102-Q104 VanDerWaalsContact C-N 3.3Å; L102-Q104 PolarHBondContact O-N 2.69Å; L102-A105 PolarHBondContact O-N 2.86Å; L102-K106 WeakPolarHBondContact O-CG 3.09Å; L102-K106 PolarHBondContact O-N 2.9Å; L102-G320 PolarHBondContact N-O 3.01Å; L102-G320 VanDerWaalsContact N-O 3.09Å; L102-L321 HydrophobicContact CD1-CD2 4.27Å; L102-L321 HydrophobicContact CD2-CD2 4.15Å; L102-L321 HydrophobicContact CG-CD2 4.3Å; L102-D323 PolarHBondContact N-OD1 3.33Å; L102-D323 VanDerWaalsContact N-OD1 3.14Å
103T98.4Very high98.6Very high89 Ų8920.6 Ų20.655%0.54612%0.116SC..Hα-helixtrans-62.2-39.2178.3-71.20000111.4P101 G107 D323P101-T103 VanDerWaalsContact C-N 3.27Å; P101-T103 PolarHBondContact O-N 3.25Å; T103-G107 PolarHBondContact O-N 3.47Å; T103-D323 WeakPolarHBondContact CB-OD1 3.36Å; T103-D323 WeakPolarHBondContact CB-OD2 3.39Å; T103-D323 PolarHBondContact N-OD1 3.22Å; T103-D323 PolarHBondContact OG1-OD1 3.25Å; T103-D323 PolarHBondContact OG1-OD2 3.5Å
104Q98.5Very high98.6Very high49 Ų4925 Ų2523%0.22914%0.136CC..Hα-helixtrans-70.7-39.3176.6-59.9-178.218.100111.7K100 P101 L102 G107 E108 T325K100-Q104 HydrophobicContact CD-CB 4.37Å; P101-Q104 HydrophobicContact CB-CG 4.25Å; P101-Q104 HydrophobicContact CG-CG 4.48Å; P101-Q104 WeakPolarHBondContact O-CA 3.37Å; P101-Q104 WeakPolarHBondContact O-CB 3.34Å; P101-Q104 PolarHBondContact O-N 3.49Å; L102-Q104 VanDerWaalsContact C-N 3.3Å; L102-Q104 PolarHBondContact O-N 2.69Å; Q104-G107 PolarHBondContact O-N 2.98Å; Q104-E108 PolarHBondContact O-N 3.23Å; Q104-T325 PolarHBondContact NE2-O 3.39Å
105A98.8Very high98.5Very high0 Ų025.2 Ų25.20%014%0.137CC..Hα-helixtrans-61.8-44.3174.100000111.6A91 M94 T95 K100 P101 L102 G107 E108 I109A91-A105 HydrophobicContact CB-CB 3.91Å; M94-A105 HydrophobicContact CB-CB 4.35Å; M94-A105 HydrophobicContact CG-CB 4.29Å; M94-A105 HydrophobicContact SD-CB 3.68Å; T95-A105 WeakPolarHBondContact OG1-CB 3.31Å; K100-A105 HydrophobicContact CD-CB 4.19Å; K100-A105 HydrophobicContact CG-CB 4.02Å; P101-A105 PolarHBondContact O-N 3.48Å; L102-A105 PolarHBondContact O-N 2.86Å; A105-G107 VanDerWaalsContact C-N 3.33Å; A105-G107 PolarHBondContact O-N 3Å; A105-E108 WeakPolarHBondContact O-CB 3.28Å; A105-E108 PolarHBondContact O-N 3.02Å; A105-E108 VanDerWaalsContact O-N 3.13Å; A105-I109 WeakPolarHBondContact O-CG1 3.36Å; A105-I109 PolarHBondContact O-N 3.27Å
106K98.7Very high98.5Very high82 Ų8225.2 Ų25.236%0.35714%0.137SC..Hα-helixtrans-60.6-42.4173.7-71.4-175-169.3-158.60112D88 A91 L102 E108 I109 Q110D88-K106 WeakPolarHBondContact OD1-CE 3.31Å; D88-K106 IonicContact OD1-NZ 3.15Å; D88-K106 PolarHBondContact OD1-NZ 3.36Å; A91-K106 HydrophobicContact CB-CB 4.36Å; A91-K106 HydrophobicContact CB-CG 3.49Å; A91-K106 VanDerWaalsContact CB-CG 3.49Å; L102-K106 WeakPolarHBondContact O-CG 3.09Å; L102-K106 PolarHBondContact O-N 2.9Å; K106-E108 VanDerWaalsContact C-N 3.29Å; K106-E108 PolarHBondContact O-N 2.88Å; K106-I109 PolarHBondContact O-N 3.32Å; K106-I109 VanDerWaalsContact O-N 3.15Å; K106-Q110 WeakPolarHBondContact O-CG 3.48Å; K106-Q110 PolarHBondContact O-N 3Å
107G98.4Very high98.5Very high36 Ų3628.3 Ų28.337%0.37115%0.148SC..Hα-helixtrans-55.6-44.9172.500000112T103 Q104 A105 I109 Q110 T111T103-G107 PolarHBondContact O-N 3.47Å; Q104-G107 PolarHBondContact O-N 2.98Å; A105-G107 VanDerWaalsContact C-N 3.33Å; A105-G107 PolarHBondContact O-N 3Å; G107-I109 PolarHBondContact O-N 3.44Å; G107-Q110 PolarHBondContact O-N 2.98Å; G107-T111 WeakPolarHBondContact O-CG2 3.31Å; G107-T111 PolarHBondContact O-N 3.32Å; G107-T111 VanDerWaalsContact O-N 3.12Å
108E98.4Very high98.6Very high7 Ų731.7 Ų31.73%0.03316%0.161CC..Hα-helixtrans-60.5-43174.8-172.6177.3152.900112.4M94 K100 Q104 A105 K106 Q110 T111 N112 F157 S159 N160M94-E108 HydrophobicContact CE-CB 4.07Å; M94-E108 HydrophobicContact CE-CG 3.91Å; M94-E108 WeakPolarHBondContact CE-OE1 3.32Å; M94-E108 HydrophobicContact SD-CB 4.16Å; M94-E108 HydrophobicContact SD-CG 4.35Å; K100-E108 IonicContact NZ-OE2 2.93Å; K100-E108 PolarHBondContact NZ-OE2 2.78Å; Q104-E108 PolarHBondContact O-N 3.23Å; A105-E108 WeakPolarHBondContact O-CB 3.28Å; A105-E108 PolarHBondContact O-N 3.02Å; A105-E108 VanDerWaalsContact O-N 3.13Å; K106-E108 VanDerWaalsContact C-N 3.29Å; K106-E108 PolarHBondContact O-N 2.88Å; E108-Q110 VanDerWaalsContact C-N 3.3Å; E108-Q110 PolarHBondContact O-N 2.72Å; E108-T111 PolarHBondContact O-N 3.38Å; E108-T111 VanDerWaalsContact O-N 3.14Å; E108-T111 PolarHBondContact O-OG1 3.37Å; E108-N112 PolarHBondContact O-N 3.08Å; E108-F157 HydrophobicContact CG-CD1 4.17Å; E108-F157 VanDerWaalsContact OE1-CA 3.26Å; E108-F157 WeakPolarHBondContact OE1-CA 3.13Å; E108-F157 WeakPolarHBondContact OE2-CA 3.23Å; E108-F157 WeakPolarHBondContact OE2-CD1 3.47Å; E108-S159 WeakPolarHBondContact OE1-CA 3.47Å; E108-S159 WeakPolarHBondContact OE1-CB 3.45Å; E108-S159 PolarHBondContact OE1-N 2.8Å; E108-N160 HydrophobicContact CG-CB 3.43Å; E108-N160 VanDerWaalsContact CG-CB 3.43Å; E108-N160 PolarHBondContact OE1-N 3.21Å
109I98.8Very high98.6Very high0 Ų031.8 Ų31.80%016%0.162CC..Hα-helixtrans-61.3-39.6176.2-59.7-50.2000111.8V83 A87 L90 A91 M94 A105 K106 G107 T111 N112 V113V83-I109 HydrophobicContact CG1-CG2 3.65Å; A87-I109 HydrophobicContact CB-CG2 3.83Å; L90-I109 HydrophobicContact CB-CD1 3.61Å; L90-I109 HydrophobicContact CB-CG1 3.89Å; L90-I109 HydrophobicContact CD1-CD1 4.23Å; L90-I109 HydrophobicContact CD1-CG2 4.06Å; A91-I109 HydrophobicContact CB-CG1 4.4Å; M94-I109 HydrophobicContact CE-CD1 3.74Å; A105-I109 WeakPolarHBondContact O-CG1 3.36Å; A105-I109 PolarHBondContact O-N 3.27Å; K106-I109 PolarHBondContact O-N 3.32Å; K106-I109 VanDerWaalsContact O-N 3.15Å; G107-I109 PolarHBondContact O-N 3.44Å; I109-T111 VanDerWaalsContact C-N 3.3Å; I109-T111 PolarHBondContact O-N 3.28Å; I109-N112 WeakPolarHBondContact O-CB 3.25Å; I109-N112 PolarHBondContact O-N 3.09Å; I109-V113 PolarHBondContact O-N 3.02Å
110Q98.5Very high98.6Very high74 Ų7431.8 Ų31.835%0.34616%0.162SC..Hα-helixtrans-62.7-38.2175.8-65.5-56.4-46.500112K106 G107 E108 N112 V113 E114K106-Q110 WeakPolarHBondContact O-CG 3.48Å; K106-Q110 PolarHBondContact O-N 3Å; G107-Q110 PolarHBondContact O-N 2.98Å; E108-Q110 VanDerWaalsContact C-N 3.3Å; E108-Q110 PolarHBondContact O-N 2.72Å; Q110-N112 PolarHBondContact O-N 3.41Å; Q110-V113 WeakPolarHBondContact O-CB 3.42Å; Q110-V113 PolarHBondContact O-N 2.99Å; Q110-V113 VanDerWaalsContact O-N 3.08Å; Q110-E114 PolarHBondContact O-N 3.37Å; Q110-E114 VanDerWaalsContact O-N 3.08Å
111T97.9Very high98.6Very high39 Ų3933 Ų3324%0.23917%0.172CC..Hα-helixtrans-62.9-26.8174.467.70000113G107 E108 I109 N115 N160G107-T111 WeakPolarHBondContact O-CG2 3.31Å; G107-T111 PolarHBondContact O-N 3.32Å; G107-T111 VanDerWaalsContact O-N 3.12Å; E108-T111 PolarHBondContact O-N 3.38Å; E108-T111 VanDerWaalsContact O-N 3.14Å; E108-T111 PolarHBondContact O-OG1 3.37Å; I109-T111 VanDerWaalsContact C-N 3.3Å; I109-T111 PolarHBondContact O-N 3.28Å; T111-N115 WeakPolarHBondContact O-CB 3.46Å; T111-N115 PolarHBondContact O-N 2.92Å; T111-N115 PolarHBondContact O-ND2 2.93Å; T111-N160 PolarHBondContact OG1-ND2 3.03Å; T111-N160 VanDerWaalsContact OG1-ND2 3.09Å; T111-N160 PolarHBondContact OG1-OD1 2.82Å
112N98.7Very high98.6Very high0 Ų033.2 Ų33.20%017%0.173CC..Hα-helixtrans-65.6-45.9172.4-64-23.5000111.6V83 E108 I109 Q110 E114 N115 L116 S159 N160 I163V83-N112 HydrophobicContact CG1-CB 3.97Å; E108-N112 PolarHBondContact O-N 3.08Å; I109-N112 WeakPolarHBondContact O-CB 3.25Å; I109-N112 PolarHBondContact O-N 3.09Å; Q110-N112 PolarHBondContact O-N 3.41Å; N112-E114 VanDerWaalsContact C-N 3.32Å; N112-E114 PolarHBondContact O-N 2.89Å; N112-N115 PolarHBondContact O-N 3.09Å; N112-L116 WeakPolarHBondContact O-CB 3.07Å; N112-L116 WeakPolarHBondContact O-CG 3.44Å; N112-L116 PolarHBondContact O-N 3.04Å; N112-S159 PolarHBondContact ND2-OG 3.38Å; N112-N160 WeakPolarHBondContact OD1-CA 3.37Å; N112-N160 PolarHBondContact OD1-N 3.03Å; N112-I163 HydrophobicContact CB-CB 4.22Å; N112-I163 HydrophobicContact CB-CG1 3.91Å; N112-I163 HydrophobicContact CB-CG2 4.14Å
113V98.8Very high98.6Very high12 Ų1232 Ų327%0.07317%0.168CC..Hα-helixtrans-57.4-50.9178.4-1790000108.6A80 V83 E84 I109 Q110 N115 L116 R117A80-V113 HydrophobicContact CB-CG1 4.21Å; V83-V113 HydrophobicContact CB-CG2 4.32Å; V83-V113 HydrophobicContact CG1-CG2 3.88Å; E84-V113 HydrophobicContact CB-CG2 3.92Å; I109-V113 PolarHBondContact O-N 3.02Å; Q110-V113 WeakPolarHBondContact O-CB 3.42Å; Q110-V113 PolarHBondContact O-N 2.99Å; Q110-V113 VanDerWaalsContact O-N 3.08Å; V113-N115 PolarHBondContact O-N 2.62Å; V113-L116 PolarHBondContact O-N 3.38Å; V113-R117 HydrophobicContact CG1-CG 4.47Å; V113-R117 VanDerWaalsContact O-CG 3.24Å; V113-R117 WeakPolarHBondContact O-CG 3.37Å; V113-R117 PolarHBondContact O-N 2.83Å
114E98.5Very high98.5Very high92 Ų9232.4 Ų32.443%0.4316%0.164SC..Hα-helixtrans-57.1-47.6177.6-67175.9175.300112.5Q110 N112 L116 R117 W118Q110-E114 PolarHBondContact O-N 3.37Å; Q110-E114 VanDerWaalsContact O-N 3.08Å; N112-E114 VanDerWaalsContact C-N 3.32Å; N112-E114 PolarHBondContact O-N 2.89Å; E114-L116 PolarHBondContact O-N 3.14Å; E114-R117 PolarHBondContact O-N 3.23Å; E114-W118 WeakPolarHBondContact O-CB 3.43Å; E114-W118 PolarHBondContact O-N 3.25Å
115N98.7Very high98.5Very high4 Ų436.6 Ų36.62%0.02118%0.177CC..Hα-helixtrans-65.3-39.1179.9-85.3-72.7000112.9T111 N112 V113 N119 I163 N466T111-N115 WeakPolarHBondContact O-CB 3.46Å; T111-N115 PolarHBondContact O-N 2.92Å; T111-N115 PolarHBondContact O-ND2 2.93Å; N112-N115 PolarHBondContact O-N 3.09Å; V113-N115 PolarHBondContact O-N 2.62Å; N115-N119 VanDerWaalsContact O-CB 3.31Å; N115-N119 WeakPolarHBondContact O-CB 3.43Å; N115-N119 PolarHBondContact O-N 3.33Å; N115-N119 PolarHBondContact O-ND2 3.45Å; N115-I163 HydrophobicContact CB-CG2 3.98Å; N115-N466 PolarHBondContact OD1-OD1 3.44Å
116L98.8Very high98.4Very high0 Ų038.2 Ų38.20%019%0.186CC..Hα-helixtrans-63.2-48.1175.3-77162.9000111M79 A80 V83 N112 V113 E114 A120 I163M79-L116 HydrophobicContact CB-CD1 4.34Å; M79-L116 HydrophobicContact CB-CD2 4.41Å; M79-L116 HydrophobicContact CG-CD1 3.74Å; M79-L116 HydrophobicContact CG-CD2 4.03Å; A80-L116 HydrophobicContact CB-CB 3.79Å; A80-L116 HydrophobicContact CB-CD1 4.08Å; V83-L116 HydrophobicContact CG2-CD1 4.2Å; N112-L116 WeakPolarHBondContact O-CB 3.07Å; N112-L116 WeakPolarHBondContact O-CG 3.44Å; N112-L116 PolarHBondContact O-N 3.04Å; V113-L116 PolarHBondContact O-N 3.38Å; E114-L116 PolarHBondContact O-N 3.14Å; L116-A120 WeakPolarHBondContact O-CB 3.46Å; L116-A120 PolarHBondContact O-N 3Å; L116-I163 HydrophobicContact CD1-CD1 4.44Å; L116-I163 HydrophobicContact CD1-CG2 4.43Å; L116-I163 HydrophobicContact CD2-CG2 4.35Å; L116-I163 HydrophobicContact CG-CG2 3.84Å
117R98.7Very high98.2Very high75 Ų7540.1 Ų40.128%0.28320%0.199SC..Hα-helixtrans-62.6-46.3178.1-63.2-61.4-176.2-178.8-3.4111.6N77 A80 D81 V113 E114 A120 A121N77-R117 PolarHBondContact O-NH1 3.44Å; N77-R117 VanDerWaalsContact O-NH1 3.08Å; N77-R117 WeakPolarHBondContact OD1-CD 3.13Å; N77-R117 PolarHBondContact OD1-NH1 3.21Å; A80-R117 HydrophobicContact CB-CG 4.14Å; A80-R117 VanDerWaalsContact CB-NE 3.31Å; D81-R117 IonicContact OD1-CZ 2.71Å; D81-R117 IonicContact OD1-NH1 2.69Å; D81-R117 IonicContact OD1-NH2 3.46Å; D81-R117 PolarHBondContact OD1-NH2 2.98Å; D81-R117 IonicContact OD2-NH2 3.78Å; V113-R117 HydrophobicContact CG1-CG 4.47Å; V113-R117 VanDerWaalsContact O-CG 3.24Å; V113-R117 WeakPolarHBondContact O-CG 3.37Å; V113-R117 PolarHBondContact O-N 2.83Å; E114-R117 PolarHBondContact O-N 3.23Å; R117-A120 PolarHBondContact O-N 3.1Å; R117-A121 PolarHBondContact O-N 2.91Å; R117-A121 VanDerWaalsContact O-N 3.15Å
118W98.7Very high98.1Very high72 Ų7240.6 Ų40.627%0.27320%0.204SC..Hα-helixtrans-61.6-52.1-178.9-175.1-91000111.2E114 A120 A121 E122 S450 A451E114-W118 WeakPolarHBondContact O-CB 3.43Å; E114-W118 PolarHBondContact O-N 3.25Å; W118-A120 VanDerWaalsContact C-N 3.32Å; W118-A120 PolarHBondContact O-N 2.88Å; W118-A121 WeakPolarHBondContact O-CA 3.46Å; W118-A121 WeakPolarHBondContact O-CB 3.4Å; W118-A121 PolarHBondContact O-N 3.3Å; W118-E122 VanDerWaalsContact NE1-CG 3.32Å; W118-E122 PolarHBondContact O-N 3.2Å; W118-S450 PolarHBondContact NE1-O 3.19Å; W118-S450 VanDerWaalsContact NE1-O 3.13Å; W118-A451 HydrophobicContact CD2-CB 4.34Å; W118-A451 HydrophobicContact CE3-CB 4.01Å; W118-A451 HydrophobicContact CH2-CB 3.36Å; W118-A451 VanDerWaalsContact CZ2-CA 3.49Å; W118-A451 HydrophobicContact CZ2-CB 3.74Å; W118-A451 HydrophobicContact CZ3-CB 3.51Å
119N98.8Very high98Very high2 Ų246 Ų461%0.01123%0.229CC..Hα-helixtrans-68.5-30.1-179.4-73.7-72.6000112.6M76 N115 A121 E122 G123 S167 P168 A171M76-N119 HydrophobicContact CE-CB 3.83Å; N115-N119 VanDerWaalsContact O-CB 3.31Å; N115-N119 WeakPolarHBondContact O-CB 3.43Å; N115-N119 PolarHBondContact O-N 3.33Å; N115-N119 PolarHBondContact O-ND2 3.45Å; N119-A121 VanDerWaalsContact C-N 3.26Å; N119-A121 PolarHBondContact O-N 2.99Å; N119-E122 PolarHBondContact O-N 3.14Å; N119-G123 PolarHBondContact O-N 3.11Å; N119-S167 PolarHBondContact ND2-OG 3.24Å; N119-P168 WeakPolarHBondContact OD1-CB 3.26Å; N119-A171 HydrophobicContact CB-CB 4.18Å; N119-A171 WeakPolarHBondContact O-CB 3.4Å
120A98.8Very high98Very high1 Ų151.3 Ų51.31%0.00826%0.256CS..Hα-helixtrans-61.2-36170.600000112.1A73 M76 L116 R117 W118 Q124A73-A120 HydrophobicContact CB-CB 4.02Å; A73-A120 WeakPolarHBondContact CB-O 3.41Å; M76-A120 HydrophobicContact CB-CB 3.8Å; M76-A120 HydrophobicContact CE-CB 4.23Å; M76-A120 HydrophobicContact SD-CB 4.09Å; L116-A120 WeakPolarHBondContact O-CB 3.46Å; L116-A120 PolarHBondContact O-N 3Å; R117-A120 PolarHBondContact O-N 3.1Å; W118-A120 VanDerWaalsContact C-N 3.32Å; W118-A120 PolarHBondContact O-N 2.88Å; A120-Q124 PolarHBondContact O-NE2 3.03Å
121A98.6Very high98Very high27 Ų2750 Ų5022%0.22325%0.253CS..Hα-helixtrans-73.8-46173.300000111.7R117 W118 N119 G123 Q124 R125R117-A121 PolarHBondContact O-N 2.91Å; R117-A121 VanDerWaalsContact O-N 3.15Å; W118-A121 WeakPolarHBondContact O-CA 3.46Å; W118-A121 WeakPolarHBondContact O-CB 3.4Å; W118-A121 PolarHBondContact O-N 3.3Å; N119-A121 VanDerWaalsContact C-N 3.26Å; N119-A121 PolarHBondContact O-N 2.99Å; A121-G123 VanDerWaalsContact C-N 3.34Å; A121-G123 PolarHBondContact O-N 3.35Å; A121-Q124 WeakPolarHBondContact O-CB 3.4Å; A121-Q124 PolarHBondContact O-N 3.45Å; A121-Q124 VanDerWaalsContact O-N 3.07Å; A121-R125 PolarHBondContact O-N 3.49Å
122E98.2Very high98Very high6 Ų653.9 Ų53.93%0.02828%0.279CS..Hα-helixtrans-64.5-35.4-179.6-70.7-56.5104.200112.9W118 N119 Q124 R125 L126 T468 V471W118-E122 VanDerWaalsContact NE1-CG 3.32Å; W118-E122 PolarHBondContact O-N 3.2Å; N119-E122 PolarHBondContact O-N 3.14Å; E122-Q124 PolarHBondContact O-N 3.36Å; E122-R125 CarbonylContact O-C 3.57Å; E122-R125 WeakPolarHBondContact O-CA 2.98Å; E122-R125 PolarHBondContact O-N 2.63Å; E122-R125 WeakPolarHBondContact OE1-CD 3.37Å; E122-R125 IonicContact OE1-CZ 3.21Å; E122-R125 IonicContact OE1-NH1 2.72Å; E122-R125 PolarHBondContact OE1-NH1 3.31Å; E122-L126 PolarHBondContact O-N 2.89Å; E122-L126 VanDerWaalsContact O-N 3.15Å; E122-T468 VanDerWaalsContact OE2-CA 3.24Å; E122-T468 WeakPolarHBondContact OE2-CA 3.21Å; E122-T468 WeakPolarHBondContact OE2-CB 3.03Å; E122-T468 WeakPolarHBondContact OE2-CG2 3.11Å; E122-T468 PolarHBondContact OE2-OG1 3.37Å; E122-V471 HydrophobicContact CB-CB 4.3Å; E122-V471 HydrophobicContact CB-CG1 3.78Å
123G98.2Very high97.8Very high6 Ų655.9 Ų55.96%0.06229%0.293CS..Hα-helixtrans-59.4-28.5172.800000113.6N119 A121N119-G123 PolarHBondContact O-N 3.11Å; A121-G123 VanDerWaalsContact C-N 3.34Å; A121-G123 PolarHBondContact O-N 3.35Å
124Q98.1Very high97.8Very high96 Ų9658.4 Ų58.445%0.44931%0.31SS..Hα-helixtrans-83.5-13.4173.5-65.4174.28500113A69 A73 A120 A121 E122A69-Q124 HydrophobicContact CB-CB 4.42Å; A69-Q124 HydrophobicContact CB-CG 3.87Å; A73-Q124 HydrophobicContact CB-CG 4.12Å; A120-Q124 PolarHBondContact O-NE2 3.03Å; A121-Q124 WeakPolarHBondContact O-CB 3.4Å; A121-Q124 PolarHBondContact O-N 3.45Å; A121-Q124 VanDerWaalsContact O-N 3.07Å; E122-Q124 PolarHBondContact O-N 3.36Å
125R97.1Very high97.6Very high138 Ų13860.9 Ų60.952%0.52133%0.331SS..THydrogen-bonded Turntrans-105.614.4177.6-61.5-179.6-169.1131.60.1113.1A121 E122 L127A121-R125 PolarHBondContact O-N 3.49Å; E122-R125 CarbonylContact O-C 3.57Å; E122-R125 WeakPolarHBondContact O-CA 2.98Å; E122-R125 PolarHBondContact O-N 2.63Å; E122-R125 WeakPolarHBondContact OE1-CD 3.37Å; E122-R125 IonicContact OE1-CZ 3.21Å; E122-R125 IonicContact OE1-NH1 2.72Å; E122-R125 PolarHBondContact OE1-NH1 3.31Å; R125-L127 PolarHBondContact O-N 2.91Å
126L96.6Very high97.6Very high33 Ų3363.4 Ų63.417%0.17335%0.346CS..  trans-69.964.2166.6-72172.8000110.9E122 K143 A172 V471 V475E122-L126 PolarHBondContact O-N 2.89Å; E122-L126 VanDerWaalsContact O-N 3.15Å; L126-K143 HydrophobicContact CD2-CD 4.16Å; L126-A172 HydrophobicContact CD1-CB 4.11Å; L126-V471 HydrophobicContact CD1-CG2 3.96Å; L126-V471 HydrophobicContact CD2-CG1 3.78Å; L126-V471 HydrophobicContact CD2-CG2 4.11Å; L126-V471 HydrophobicContact CG-CG1 4.41Å; L126-V471 HydrophobicContact CG-CG2 4.23Å; L126-V475 HydrophobicContact CD1-CG1 3.83Å; L126-V475 HydrophobicContact CD2-CG1 3.95Å; L126-V475 HydrophobicContact CD2-CG2 4.45Å
127L96Very high97.6Very high123 Ų12365 Ų6564%0.64436%0.355SS*.  trans-73.6137.3-177.1-57.1-179000110R125 K143R125-L127 PolarHBondContact O-N 2.91Å; L127-K143 WeakPolarHBondContact O-CD 3.34Å
128G95.4Very high97.5Very high45 Ų4564.6 Ų64.646%0.46436%0.356SS..  trans-86-179.2163.200000111.4V141G128-V141 CarbonylContact C-O 3.43Å; G128-V141 WeakPolarHBondContact CA-O 3.07Å
129E97.2Very high97.5Very high121 Ų12165 Ų6557%0.56536%0.358SS*.EExtended strand (participates in β ladder)trans-127.4143.6-179.7-60.6172.5-12200110.5Q140 V141E129-Q140 CarbonylContact O-C 3.58Å; E129-Q140 WeakPolarHBondContact O-CA 3.44Å; E129-V141 HydrophobicContact CB-CB 4.13Å; E129-V141 HydrophobicContact CB-CG2 4.49Å; E129-V141 PolarHBondContact N-O 2.78Å; E129-V141 PolarHBondContact O-N 3.32Å
130I97.7Very high97.4Very high111 Ų11166.4 Ų66.457%0.56936%0.364SS*.EExtended strand (participates in β ladder)trans-100114.1163.4-56.2-60.3000106.8Q140I130-Q140 HydrophobicContact CD1-CB 4.17Å; I130-Q140 HydrophobicContact CD1-CG 3.63Å
131V97.8Very high97.4Very high47 Ų4767.6 Ų67.629%0.28537%0.371SS..EExtended strand (participates in β ladder)trans-92136.9-177.7-176.40000108.7S133 W139 V141V131-S133 PolarHBondContact O-N 3.25Å; V131-W139 HydrophobicContact CB-CB 3.95Å; V131-W139 HydrophobicContact CG1-CE3 4.09Å; V131-W139 PolarHBondContact N-O 3.28Å; V131-V141 HydrophobicContact CG2-CG2 3.99Å
132P97.9Very high97.4Very high120 Ų12071.1 Ų71.178%0.77938%0.379SS*.  trans-52.6126.4171.3-27.235.5000111.4
133S96.2Very high97.3Very high42 Ų4273.5 Ų73.529%0.29439%0.389SS..  trans-125.2164.6-175.952.50000111V131 N137 Q138V131-S133 PolarHBondContact O-N 3.25Å; S133-N137 VanDerWaalsContact OG-C 3.3Å; S133-N137 PolarHBondContact OG-O 3.48Å; S133-Q138 WeakPolarHBondContact OG-CA 3.48Å
134P97.3Very high97.3Very high66 Ų6677.1 Ų77.143%0.42940%0.404SS..  trans-51.8147.6164.1-25.334.8000110.9T136 N137 W139P134-T136 PolarHBondContact O-N 2.82Å; P134-N137 CarbonylContact O-C 3.1Å; P134-N137 PolarHBondContact O-N 2.69Å; P134-W139 HydrophobicContact CG-CZ2 4.31Å
135V96Very high97.3Very high143 Ų14373.3 Ų73.387%0.86739%0.389SS*.THydrogen-bonded Turntrans-55.5-24-175.770.70000114N137V135-N137 VanDerWaalsContact C-N 3.27Å; V135-N137 PolarHBondContact O-N 2.87Å
136T97.7Very high97.4Very high57 Ų5767.1 Ų67.135%0.3537%0.367SS..THydrogen-bonded Turntrans-81.4-3.7178.853.20000113.9P134 R483 T484 A485P134-T136 PolarHBondContact O-N 2.82Å; T136-R483 CarbonylContact O-C 3.37Å; T136-R483 WeakPolarHBondContact O-CA 3.43Å; T136-T484 VanDerWaalsContact C-OG1 3.29Å; T136-T484 PolarHBondContact O-N 2.99Å; T136-T484 PolarHBondContact O-OG1 3.21Å; T136-A485 HydrophobicContact CG2-CB 3.76Å; T136-A485 PolarHBondContact O-N 2.99Å; T136-A485 VanDerWaalsContact O-N 3.13Å
137N98Very high97.5Very high33 Ų3365.7 Ų65.718%0.17636%0.36CS..EExtended strand (participates in β ladder)trans-137.7164.4-171-67.274000111.3S133 P134 V135 N481 I482 T484S133-N137 VanDerWaalsContact OG-C 3.3Å; S133-N137 PolarHBondContact OG-O 3.48Å; P134-N137 CarbonylContact O-C 3.1Å; P134-N137 PolarHBondContact O-N 2.69Å; V135-N137 VanDerWaalsContact C-N 3.27Å; V135-N137 PolarHBondContact O-N 2.87Å; N137-N481 PolarHBondContact ND2-OD1 3.28Å; N137-I482 CarbonylContact C-O 3.59Å; N137-I482 WeakPolarHBondContact CA-O 3.49Å; N137-T484 PolarHBondContact N-OG1 2.74Å
138Q97.5Very high97.6Very high67 Ų6759.9 Ų59.931%0.31333%0.33SS..EExtended strand (participates in β ladder)trans-129.6127164.7-176.7-179.4-5.200108S133 Q140 I482 T484S133-Q138 WeakPolarHBondContact OG-CA 3.48Å; Q138-Q140 HydrophobicContact CG-CG 4.18Å; Q138-I482 HydrophobicContact CB-CB 4.39Å; Q138-I482 PolarHBondContact N-O 2.82Å; Q138-I482 PolarHBondContact O-N 2.7Å; Q138-T484 HydrophobicContact CB-CG2 3.9Å
139W98.4Very high97.8Very high82 Ų8257.8 Ų57.831%0.31131%0.308SS..EExtended strand (participates in β ladder)trans-103.3127.8177.3-72.4-2.7000110V131 P134 F479 N481V131-W139 HydrophobicContact CB-CB 3.95Å; V131-W139 HydrophobicContact CG1-CE3 4.09Å; V131-W139 PolarHBondContact N-O 3.28Å; P134-W139 HydrophobicContact CG-CZ2 4.31Å; W139-F479 HydrophobicContact CB-CE2 3.79Å; W139-F479 HydrophobicContact CB-CZ 4.42Å; W139-F479 AromaticContact CD1-CZ 3.88Å; W139-F479 HydrophobicContact CD2-CE2 4.25Å; W139-F479 HydrophobicContact CD2-CZ 4.18Å; W139-F479 AromaticContact CG-CE2 3.76Å; W139-F479 HydrophobicContact CG-CE2 3.76Å; W139-F479 AromaticContact CG-CZ 3.9Å; W139-F479 HydrophobicContact CG-CZ 3.9Å; W139-N481 PolarHBondContact NE1-OD1 2.98Å; W139-N481 VanDerWaalsContact NE1-OD1 3.14Å
140Q98Very high97.8Very high30 Ų3052 Ų5214%0.1428%0.281CS..EExtended strand (participates in β ladder)trans-129.2138-179.8-48.7-174.8-7.700110.1E129 I130 Q138 F479 V480 I482E129-Q140 CarbonylContact O-C 3.58Å; E129-Q140 WeakPolarHBondContact O-CA 3.44Å; I130-Q140 HydrophobicContact CD1-CB 4.17Å; I130-Q140 HydrophobicContact CD1-CG 3.63Å; Q138-Q140 HydrophobicContact CG-CG 4.18Å; Q140-F479 CarbonylContact O-C 3.59Å; Q140-F479 WeakPolarHBondContact O-CA 3.38Å; Q140-V480 HydrophobicContact CB-CB 4.46Å; Q140-V480 PolarHBondContact N-O 3.13Å; Q140-V480 PolarHBondContact O-N 2.77Å; Q140-I482 HydrophobicContact CG-CD1 4.49Å
141V98.2Very high97.9Very high26 Ų2646.7 Ų46.716%0.15825%0.254CS..EExtended strand (participates in β ladder)trans-106129.5165.5-179.50000107.5G128 E129 V131 V477 K478G128-V141 CarbonylContact C-O 3.43Å; G128-V141 WeakPolarHBondContact CA-O 3.07Å; E129-V141 HydrophobicContact CB-CB 4.13Å; E129-V141 HydrophobicContact CB-CG2 4.49Å; E129-V141 PolarHBondContact N-O 2.78Å; E129-V141 PolarHBondContact O-N 3.32Å; V131-V141 HydrophobicContact CG2-CG2 3.99Å; V141-V477 HydrophobicContact CG1-CG1 3.4Å; V141-K478 CarbonylContact C-O 3.53Å; V141-K478 WeakPolarHBondContact CA-O 3.15Å
142R97.2Very high97.9Very high102 Ų10245 Ų4539%0.38524%0.243SC..EExtended strand (participates in β ladder)trans-121.9140.1-179.3-58.3-179.2-178.7179.80.2109.5K478 V480R142-K478 HydrophobicContact CB-CB 4.47Å; R142-K478 PolarHBondContact N-O 3.12Å; R142-K478 PolarHBondContact O-N 3.35Å; R142-V480 HydrophobicContact CG-CG2 4.48Å
143K97.6Very high98Very high56 Ų5639.6 Ų39.624%0.24321%0.208CC..EExtended strand (participates in β ladder)trans-100.2127.9169.2-67.3-178.6179.5-179.30108.5L126 L127 E472 V475 N476L126-K143 HydrophobicContact CD2-CD 4.16Å; L127-K143 WeakPolarHBondContact O-CD 3.34Å; K143-E472 IonicContact NZ-OE1 3.11Å; K143-E472 PolarHBondContact NZ-OE1 3.38Å; K143-V475 HydrophobicContact CB-CB 4.15Å; K143-V475 HydrophobicContact CB-CG1 4.41Å; K143-V475 HydrophobicContact CB-CG2 4.03Å; K143-V475 HydrophobicContact CD-CG2 4.18Å; K143-V475 HydrophobicContact CG-CG2 4.12Å; K143-N476 WeakPolarHBondContact CA-O 3.49Å
144Q97.4Very high98.1Very high81 Ų8138.3 Ų38.338%0.37920%0.199SC..EExtended strand (participates in β ladder)trans-135.9142-178.4-56.1-169.2-70.800109.9V146 V475 N476Q144-V146 PolarHBondContact O-N 3.14Å; Q144-V475 CarbonylContact O-C 3.49Å; Q144-V475 WeakPolarHBondContact O-CA 3.36Å; Q144-V475 WeakPolarHBondContact O-CB 3.22Å; Q144-N476 PolarHBondContact N-O 3.46Å; Q144-N476 PolarHBondContact O-N 3.02Å
145A98.6Very high98.1Very high16 Ų1637.5 Ų37.513%0.13219%0.187CC..EExtended strand (participates in β ladder)trans-45.9140175.400000112.6F61 A172 G173 Y474F61-A145 HydrophobicContact CE2-CB 3.78Å; F61-A145 HydrophobicContact CZ-CB 4.22Å; A145-A172 WeakPolarHBondContact CB-O 3.46Å; A145-G173 WeakPolarHBondContact CB-O 3.32Å; A145-Y474 WeakPolarHBondContact CA-O 3.28Å
146V98.3Very high98.2Very high9 Ų931.1 Ų31.16%0.05515%0.148CC..  trans-68.5-33.3179.6-70.70000113.1Q144 V149 Q226 K227 Y474Q144-V146 PolarHBondContact O-N 3.14Å; V146-V149 HydrophobicContact CG2-CG2 4.28Å; V146-Q226 VanDerWaalsContact O-CB 3.28Å; V146-Q226 WeakPolarHBondContact O-CB 3.01Å; V146-K227 HydrophobicContact CG2-CB 4Å; V146-K227 HydrophobicContact CG2-CD 4.31Å; V146-Y474 PolarHBondContact N-O 2.72Å
147G98.6Very high98.3Very high3 Ų330.1 Ų30.13%0.03114%0.139CC..SBendtrans138.3-143.3-175.400000112.2F61 C174 T175F61-G147 VanDerWaalsContact CE2-CA 3.48Å; G147-C174 WeakPolarHBondContact O-CA 3.23Å; G147-C174 WeakPolarHBondContact O-CB 3.24Å; G147-T175 PolarHBondContact O-N 2.74Å
148V98.9Very high98.3Very high1 Ų128.6 Ų28.61%0.00613%0.131CC..EExtended strand (participates in β ladder)trans-75.9135.5171.4-179.50000109.8A57 N58 I177 D224 V225 Q226 K227A57-V148 HydrophobicContact CB-CG1 3.65Å; A57-V148 HydrophobicContact CB-CG2 4.1Å; N58-V148 HydrophobicContact CB-CG2 4.11Å; V148-I177 HydrophobicContact CG1-CD1 3.52Å; V148-I177 HydrophobicContact CG1-CG1 4.3Å; V148-D224 WeakPolarHBondContact CB-O 3.35Å; V148-V225 HydrophobicContact CG1-CG2 4.19Å; V148-Q226 PolarHBondContact O-N 3.04Å; V148-K227 PolarHBondContact O-N 2.97Å
149V98.9Very high98.4Very high0 Ų025.5 Ų25.50%012%0.116CC..EExtended strand (participates in β ladder)trans-114.4125.6-1791780000109.6V146 A169 C174 T175 V176 I177 K227 T229 Y474V146-V149 HydrophobicContact CG2-CG2 4.28Å; V149-A169 HydrophobicContact CG2-CB 4.28Å; V149-C174 HydrophobicContact CG2-CB 3.7Å; V149-T175 PolarHBondContact N-O 3.26Å; V149-V176 HydrophobicContact CB-CG2 4.39Å; V149-V176 CarbonylContact O-C 3.59Å; V149-V176 WeakPolarHBondContact O-CA 3.42Å; V149-I177 PolarHBondContact O-N 3.2Å; V149-K227 CarbonylContact C-O 3.5Å; V149-K227 WeakPolarHBondContact CA-O 3.04Å; V149-K227 HydrophobicContact CG2-CB 4.25Å; V149-T229 HydrophobicContact CG1-CG2 3.75Å; V149-Y474 HydrophobicContact CG1-CD1 4.45Å; V149-Y474 HydrophobicContact CG1-CE1 3.94Å; V149-Y474 HydrophobicContact CG2-CD1 3.9Å; V149-Y474 HydrophobicContact CG2-CE1 4.23Å
150G98.8Very high98.3Very high0 Ų022.2 Ų22.20%011%0.105CC..EExtended strand (participates in β ladder)trans-86.911616300000110.2K227 I228 T229G150-K227 PolarHBondContact N-O 3.23Å; G150-I228 WeakPolarHBondContact O-CA 3.31Å; G150-T229 PolarHBondContact O-N 2.93Å
151A98.7Very high98.3Very high0 Ų021.3 Ų21.30%010%0.101CC..EExtended strand (participates in β ladder)trans-109.7119.4178.900000110.6K165 V176 I177 L178 K179 T229A151-K165 HydrophobicContact CB-CB 4.08Å; A151-K165 HydrophobicContact CB-CD 4.2Å; A151-V176 HydrophobicContact CB-CG1 3.82Å; A151-I177 PolarHBondContact N-O 3.37Å; A151-L178 HydrophobicContact CB-CD1 4.21Å; A151-L178 CarbonylContact O-C 3.53Å; A151-L178 WeakPolarHBondContact O-CA 3.34Å; A151-K179 PolarHBondContact O-N 3.2Å; A151-T229 WeakPolarHBondContact CA-O 3.44Å; A151-T229 HydrophobicContact CB-CG2 3.86Å
152I98.6Very high98.4Very high11 Ų1120.1 Ų20.16%0.0569%0.093CC..EExtended strand (participates in β ladder)trans-118.4124.4-178.8-55.4173.9000108.9K165 K179 L219 T229 F230 T231 L240I152-K165 WeakPolarHBondContact O-CE 3.39Å; I152-K179 WeakPolarHBondContact CA-O 3.49Å; I152-K179 HydrophobicContact CG1-CB 4.24Å; I152-K179 HydrophobicContact CG2-CD 4.26Å; I152-L219 HydrophobicContact CG1-CD1 4.45Å; I152-T229 PolarHBondContact N-O 3.5Å; I152-F230 HydrophobicContact CB-CD2 3.77Å; I152-F230 HydrophobicContact CG2-CD2 3.61Å; I152-F230 HydrophobicContact CG2-CE2 3.91Å; I152-F230 WeakPolarHBondContact O-CA 3.43Å; I152-T231 PolarHBondContact O-N 3.48Å; I152-L240 HydrophobicContact CD1-CD1 3.93Å; I152-L240 HydrophobicContact CD1-CD2 3.94Å
153T98.6Very high98.4Very high6 Ų615.2 Ų15.24%0.0378%0.075CC..  trans-124.3152.7-170.150.30000113.6M161 I162 K165 L178 K179 P180 S181T153-M161 HydrophobicContact CG2-CB 4.02Å; T153-M161 WeakPolarHBondContact CG2-O 3.48Å; T153-I162 HydrophobicContact CG2-CG1 4.18Å; T153-K165 HydrophobicContact CG2-CD 3.64Å; T153-L178 HydrophobicContact CG2-CD1 4.11Å; T153-K179 PolarHBondContact N-O 3.44Å; T153-K179 VanDerWaalsContact N-O 3.11Å; T153-P180 WeakPolarHBondContact OG1-CA 3.29Å; T153-S181 PolarHBondContact O-N 3.05Å
154P98.1Very high98.4Very high16 Ų1612.9 Ų12.910%0.1047%0.065CC..  trans-86.8177.718039.4-38000110.9N156 M161 T231P154-N156 WeakPolarHBondContact CB-OD1 3.41Å; P154-N156 WeakPolarHBondContact CG-OD1 3.45Å; P154-M161 HydrophobicContact CG-CB 4.3Å; P154-M161 HydrophobicContact CG-CG 3.82Å; P154-T231 VanDerWaalsContact CD-O 3.26Å; P154-T231 WeakPolarHBondContact CD-O 3.49Å; P154-T231 HydrophobicContact CG-CG2 3.86Å
155W98.4Very high98.5Very high49 Ų499 Ų919%0.1865%0.047CC..SBendtrans-89.3-16.5-178.848.9-98.9000114.7Q98 P158 E183 T184 Q286 I330 F390Q98-W155 VanDerWaalsContact CG-O 3.27Å; Q98-W155 WeakPolarHBondContact CG-O 3.43Å; W155-P158 WeakPolarHBondContact O-CD 3.31Å; W155-E183 HydrophobicContact CB-CB 3.92Å; W155-E183 HydrophobicContact CB-CG 4.46Å; W155-E183 HydrophobicContact CG-CB 4.35Å; W155-E183 HydrophobicContact CG-CG 4.43Å; W155-T184 VanDerWaalsContact CA-OG1 3.3Å; W155-T184 WeakPolarHBondContact CA-OG1 3.29Å; W155-T184 HydrophobicContact CB-CG2 3.79Å; W155-Q286 HydrophobicContact CH2-CB 3.82Å; W155-Q286 HydrophobicContact CH2-CG 3.87Å; W155-Q286 HydrophobicContact CZ3-CB 3.85Å; W155-Q286 HydrophobicContact CZ3-CG 4.13Å; W155-Q286 VanDerWaalsContact CZ3-OE1 3.27Å; W155-I330 HydrophobicContact CD2-CB 4.03Å; W155-I330 HydrophobicContact CD2-CG1 3.82Å; W155-I330 HydrophobicContact CD2-CG2 3.84Å; W155-I330 HydrophobicContact CE3-CB 3.57Å; W155-I330 HydrophobicContact CE3-CD1 4.17Å; W155-I330 HydrophobicContact CE3-CG1 3.62Å; W155-I330 HydrophobicContact CE3-CG2 3.76Å; W155-I330 HydrophobicContact CG-CG1 4.22Å; W155-I330 HydrophobicContact CH2-CB 3.79Å; W155-I330 HydrophobicContact CH2-CG2 3.25Å; W155-I330 HydrophobicContact CZ2-CB 4.26Å; W155-I330 HydrophobicContact CZ2-CG2 3.36Å; W155-I330 HydrophobicContact CZ3-CB 3.46Å; W155-I330 VanDerWaalsContact CZ3-CB 3.46Å; W155-I330 HydrophobicContact CZ3-CG1 4.08Å; W155-I330 HydrophobicContact CZ3-CG2 3.5Å; W155-F390 AromaticContact CH2-CD1 3.55Å; W155-F390 HydrophobicContact CH2-CD1 3.55Å; W155-F390 AromaticContact CH2-CE1 3.25Å; W155-F390 HydrophobicContact CH2-CE1 3.25Å; W155-F390 AromaticContact CZ2-CD1 3.76Å; W155-F390 HydrophobicContact CZ2-CD1 3.76Å; W155-F390 AromaticContact CZ2-CE1 3.44Å; W155-F390 HydrophobicContact CZ2-CE1 3.44Å; W155-F390 VanDerWaalsContact CZ2-CE1 3.44Å; W155-F390 HydrophobicContact CZ3-CE1 4.05Å
156N98.6Very high98.5Very high8 Ų88.2 Ų8.24%0.0434%0.04CC..SBendtrans-78.3-29.3-165.966.4-43000113.9K100 P154 N283 Q286 F390K100-N156 WeakPolarHBondContact CE-O 3.45Å; K100-N156 PolarHBondContact NZ-O 3.5Å; P154-N156 WeakPolarHBondContact CB-OD1 3.41Å; P154-N156 WeakPolarHBondContact CG-OD1 3.45Å; N156-N283 PolarHBondContact O-ND2 2.78Å; N156-Q286 VanDerWaalsContact CB-O 3.3Å; N156-Q286 WeakPolarHBondContact CB-O 3.34Å; N156-Q286 PolarHBondContact ND2-O 3.46Å; N156-F390 HydrophobicContact CB-CE1 4.04Å; N156-F390 HydrophobicContact CB-CZ 4Å; N156-F390 WeakPolarHBondContact ND2-CZ 3.36Å
157F98.5Very high98.5Very high36 Ų367.8 Ų7.816%0.1584%0.038CC..SBendtrans-129.673.1168.1-69.9-94.4000107.7E108 S159 N160 M161 I282 V287E108-F157 HydrophobicContact CG-CD1 4.17Å; E108-F157 VanDerWaalsContact OE1-CA 3.26Å; E108-F157 WeakPolarHBondContact OE1-CA 3.13Å; E108-F157 WeakPolarHBondContact OE2-CA 3.23Å; E108-F157 WeakPolarHBondContact OE2-CD1 3.47Å; F157-S159 PolarHBondContact O-N 3.29Å; F157-S159 VanDerWaalsContact O-N 3.16Å; F157-N160 HydrophobicContact CB-CB 4.47Å; F157-M161 HydrophobicContact CB-CE 3.99Å; F157-M161 HydrophobicContact CB-CG 3.86Å; F157-M161 HydrophobicContact CG-CE 4.5Å; F157-M161 WeakPolarHBondContact O-CB 3.31Å; F157-M161 VanDerWaalsContact O-CG 3.28Å; F157-M161 WeakPolarHBondContact O-CG 3.3Å; F157-M161 PolarHBondContact O-N 2.92Å; F157-I282 HydrophobicContact CZ-CG2 4.23Å; F157-V287 HydrophobicContact CE2-CB 4.13Å; F157-V287 HydrophobicContact CE2-CG1 3.8Å; F157-V287 HydrophobicContact CE2-CG2 3.78Å; F157-V287 HydrophobicContact CZ-CB 4.41Å; F157-V287 HydrophobicContact CZ-CG1 4Å; F157-V287 HydrophobicContact CZ-CG2 3.72Å
158P98.6Very high98.5Very high2 Ų27.7 Ų7.71%0.0134%0.037CC..THydrogen-bonded Turntrans-74-7.2-161.834.1-38.5000113.2M94 Q98 W155 I162 T184M94-P158 HydrophobicContact CE-CG 4.49Å; M94-P158 HydrophobicContact CG-CG 3.79Å; M94-P158 HydrophobicContact SD-CG 4.43Å; Q98-P158 HydrophobicContact CB-CG 4.35Å; Q98-P158 HydrophobicContact CG-CG 4.33Å; W155-P158 WeakPolarHBondContact O-CD 3.31Å; P158-I162 WeakPolarHBondContact O-CD1 3.45Å; P158-I162 WeakPolarHBondContact O-CG1 3.11Å; P158-T184 HydrophobicContact CB-CG2 4.16Å; P158-T184 VanDerWaalsContact CB-OG1 3.24Å; P158-T184 WeakPolarHBondContact CB-OG1 3.1Å; P158-T184 HydrophobicContact CG-CG2 4.35Å
159S98.7Very high98.5Very high1 Ų17.7 Ų7.71%0.0074%0.036CC..THydrogen-bonded Turntrans-105.9-48.2173.1-165.40000111E108 N112 F157 I162 I163 L191E108-S159 WeakPolarHBondContact OE1-CA 3.47Å; E108-S159 WeakPolarHBondContact OE1-CB 3.45Å; E108-S159 PolarHBondContact OE1-N 2.8Å; N112-S159 PolarHBondContact ND2-OG 3.38Å; F157-S159 PolarHBondContact O-N 3.29Å; F157-S159 VanDerWaalsContact O-N 3.16Å; S159-I162 WeakPolarHBondContact O-CB 3.09Å; S159-I162 PolarHBondContact O-N 2.77Å; S159-I163 PolarHBondContact O-N 2.98Å; S159-I163 VanDerWaalsContact O-N 3.09Å; S159-L191 WeakPolarHBondContact OG-CD1 3.44Å
160N97.9Very high98.5Very high13 Ų137.7 Ų7.77%0.074%0.036CC..Hα-helixtrans-70.1-37-176.4-177.425.4000113.7E108 T111 N112 F157 I162 I163 R164E108-N160 HydrophobicContact CG-CB 3.43Å; E108-N160 VanDerWaalsContact CG-CB 3.43Å; E108-N160 PolarHBondContact OE1-N 3.21Å; T111-N160 PolarHBondContact OG1-ND2 3.03Å; T111-N160 VanDerWaalsContact OG1-ND2 3.09Å; T111-N160 PolarHBondContact OG1-OD1 2.82Å; N112-N160 WeakPolarHBondContact OD1-CA 3.37Å; N112-N160 PolarHBondContact OD1-N 3.03Å; F157-N160 HydrophobicContact CB-CB 4.47Å; N160-I162 PolarHBondContact O-N 3.01Å; N160-I163 PolarHBondContact O-N 2.57Å; N160-R164 VanDerWaalsContact O-CB 3.28Å; N160-R164 WeakPolarHBondContact O-CB 3.33Å; N160-R164 WeakPolarHBondContact O-CG 3.29Å; N160-R164 PolarHBondContact O-N 3.06Å; N160-R164 WeakPolarHBondContact OD1-CD 3.4Å; N160-R164 VanDerWaalsContact OD1-CG 3.24Å; N160-R164 WeakPolarHBondContact OD1-CG 3.42Å
161M98.3Very high98.5Very high12 Ų127.8 Ų7.86%0.0594%0.037CC..Hα-helixtrans-65.3-27.7175.3-63.6-60106.200112.2T153 P154 F157 K165 T231T153-M161 HydrophobicContact CG2-CB 4.02Å; T153-M161 WeakPolarHBondContact CG2-O 3.48Å; P154-M161 HydrophobicContact CG-CB 4.3Å; P154-M161 HydrophobicContact CG-CG 3.82Å; F157-M161 HydrophobicContact CB-CE 3.99Å; F157-M161 HydrophobicContact CB-CG 3.86Å; F157-M161 HydrophobicContact CG-CE 4.5Å; F157-M161 WeakPolarHBondContact O-CB 3.31Å; F157-M161 VanDerWaalsContact O-CG 3.28Å; F157-M161 WeakPolarHBondContact O-CG 3.3Å; F157-M161 PolarHBondContact O-N 2.92Å; M161-K165 WeakPolarHBondContact O-CG 3.43Å; M161-K165 PolarHBondContact O-N 2.85Å; M161-T231 HydrophobicContact SD-CG2 3.93Å
162I98.7Very high98.5Very high0 Ų08 Ų80%04%0.039CC..Hα-helixtrans-69.9-53.8174.5-63.2176000109.6T153 P158 S159 N160 R164 K165 I166 L178 P180 A188 L191T153-I162 HydrophobicContact CG2-CG1 4.18Å; P158-I162 WeakPolarHBondContact O-CD1 3.45Å; P158-I162 WeakPolarHBondContact O-CG1 3.11Å; S159-I162 WeakPolarHBondContact O-CB 3.09Å; S159-I162 PolarHBondContact O-N 2.77Å; N160-I162 PolarHBondContact O-N 3.01Å; I162-R164 PolarHBondContact O-N 2.98Å; I162-K165 PolarHBondContact O-N 3.15Å; I162-K165 VanDerWaalsContact O-N 3.16Å; I162-I166 HydrophobicContact CG2-CD1 3.5Å; I162-I166 VanDerWaalsContact CG2-CD1 3.5Å; I162-I166 HydrophobicContact CG2-CG1 4.23Å; I162-I166 WeakPolarHBondContact O-CG1 3.28Å; I162-I166 PolarHBondContact O-N 3.01Å; I162-L178 HydrophobicContact CB-CD2 4.43Å; I162-L178 HydrophobicContact CD1-CD2 3.96Å; I162-L178 HydrophobicContact CG1-CD1 4.15Å; I162-L178 HydrophobicContact CG1-CD2 4.1Å; I162-L178 HydrophobicContact CG2-CD1 4.12Å; I162-L178 HydrophobicContact CG2-CD2 3.55Å; I162-L178 HydrophobicContact CG2-CG 4.48Å; I162-P180 HydrophobicContact CD1-CB 4.46Å; I162-A188 VanDerWaalsContact CD1-CA 3.46Å; I162-A188 HydrophobicContact CD1-CB 3.27Å; I162-L191 HydrophobicContact CB-CD1 4.04Å; I162-L191 HydrophobicContact CD1-CD1 4.28Å; I162-L191 HydrophobicContact CG2-CD1 3.92Å
163I98.6Very high98.5Very high0 Ų07.5 Ų7.50%04%0.037CC..Hα-helixtrans-63.6-43-177.6-66.2-61.1000111.1N112 N115 L116 S159 N160 K165 I166 S167 L191 F195N112-I163 HydrophobicContact CB-CB 4.22Å; N112-I163 HydrophobicContact CB-CG1 3.91Å; N112-I163 HydrophobicContact CB-CG2 4.14Å; N115-I163 HydrophobicContact CB-CG2 3.98Å; L116-I163 HydrophobicContact CD1-CD1 4.44Å; L116-I163 HydrophobicContact CD1-CG2 4.43Å; L116-I163 HydrophobicContact CD2-CG2 4.35Å; L116-I163 HydrophobicContact CG-CG2 3.84Å; S159-I163 PolarHBondContact O-N 2.98Å; S159-I163 VanDerWaalsContact O-N 3.09Å; N160-I163 PolarHBondContact O-N 2.57Å; I163-K165 PolarHBondContact O-N 2.9Å; I163-K165 VanDerWaalsContact O-N 3.09Å; I163-I166 PolarHBondContact O-N 2.95Å; I163-S167 VanDerWaalsContact O-CB 3.3Å; I163-S167 WeakPolarHBondContact O-CB 3.48Å; I163-S167 PolarHBondContact O-N 3.16Å; I163-S167 PolarHBondContact O-OG 2.99Å; I163-L191 HydrophobicContact CD1-CD1 4.01Å; I163-L191 HydrophobicContact CD1-CD2 4.22Å; I163-L191 HydrophobicContact CG1-CD1 3.88Å; I163-L191 HydrophobicContact CG1-CD2 4.37Å; I163-F195 HydrophobicContact CD1-CE2 3.99Å; I163-F195 HydrophobicContact CD1-CZ 4.07Å
164R97.2Very high98.5Very high6 Ų67.2 Ų7.22%0.0234%0.035CC..Hα-helixtrans-57.8-24.7176.3-78.5171.257157.81.8114.4N160 I162 P168 S448 E465 N466N160-R164 VanDerWaalsContact O-CB 3.28Å; N160-R164 WeakPolarHBondContact O-CB 3.33Å; N160-R164 WeakPolarHBondContact O-CG 3.29Å; N160-R164 PolarHBondContact O-N 3.06Å; N160-R164 WeakPolarHBondContact OD1-CD 3.4Å; N160-R164 VanDerWaalsContact OD1-CG 3.24Å; N160-R164 WeakPolarHBondContact OD1-CG 3.42Å; I162-R164 PolarHBondContact O-N 2.98Å; R164-P168 WeakPolarHBondContact O-CD 3.24Å; R164-P168 WeakPolarHBondContact O-CG 3.47Å; R164-S448 PolarHBondContact NH1-OG 3.37Å; R164-E465 IonicContact CZ-OE2 2.86Å; R164-E465 IonicContact NE-OE2 2.69Å; R164-E465 PolarHBondContact NE-OE2 3.5Å; R164-E465 IonicContact NH2-OE2 2.8Å; R164-E465 PolarHBondContact NH2-OE2 3.43Å; R164-N466 PolarHBondContact NE-OD1 2.8Å
165K98.4Very high98.6Very high0 Ų06.5 Ų6.50%03%0.03CC..Hα-helixtrans-92.5-44.1174.6-67.3-175.7-172.8-550112.4A151 I152 T153 M161 I162 I163 A169 T229 T231 E465 Y474A151-K165 HydrophobicContact CB-CB 4.08Å; A151-K165 HydrophobicContact CB-CD 4.2Å; I152-K165 WeakPolarHBondContact O-CE 3.39Å; T153-K165 HydrophobicContact CG2-CD 3.64Å; M161-K165 WeakPolarHBondContact O-CG 3.43Å; M161-K165 PolarHBondContact O-N 2.85Å; I162-K165 PolarHBondContact O-N 3.15Å; I162-K165 VanDerWaalsContact O-N 3.16Å; I163-K165 PolarHBondContact O-N 2.9Å; I163-K165 VanDerWaalsContact O-N 3.09Å; K165-A169 WeakPolarHBondContact O-CB 3.31Å; K165-T229 HydrophobicContact CB-CG2 4.15Å; K165-T229 HydrophobicContact CD-CG2 3.92Å; K165-T229 HydrophobicContact CG-CG2 4.14Å; K165-T229 PolarHBondContact NZ-OG1 2.84Å; K165-T231 WeakPolarHBondContact CE-OG1 3.39Å; K165-T231 PolarHBondContact NZ-OG1 3.35Å; K165-E465 IonicContact NZ-OE1 2.64Å; K165-E465 PolarHBondContact NZ-OE1 3.34Å; K165-Y474 PolarHBondContact O-OH 3.34Å
166I98.8Very high98.6Very high0 Ų04.1 Ų4.10%02%0.021CC..Hα-helixtrans-70.3-45.8-177.2-67.9179.7000111.1I162 I163 A169 I170 V176 L178 M192 F195 V205I162-I166 HydrophobicContact CG2-CD1 3.5Å; I162-I166 VanDerWaalsContact CG2-CD1 3.5Å; I162-I166 HydrophobicContact CG2-CG1 4.23Å; I162-I166 WeakPolarHBondContact O-CG1 3.28Å; I162-I166 PolarHBondContact O-N 3.01Å; I163-I166 PolarHBondContact O-N 2.95Å; I166-A169 WeakPolarHBondContact O-CB 3.17Å; I166-A169 PolarHBondContact O-N 2.9Å; I166-I170 HydrophobicContact CG2-CD1 4Å; I166-I170 HydrophobicContact CG2-CG2 3.97Å; I166-I170 WeakPolarHBondContact O-CG1 3.38Å; I166-I170 PolarHBondContact O-N 3.14Å; I166-V176 HydrophobicContact CG1-CG1 4.08Å; I166-L178 HydrophobicContact CD1-CB 4.47Å; I166-L178 HydrophobicContact CD1-CD2 4.19Å; I166-M192 HydrophobicContact CD1-CE 3.98Å; I166-F195 HydrophobicContact CB-CZ 4.44Å; I166-F195 HydrophobicContact CD1-CE2 4.27Å; I166-F195 HydrophobicContact CG2-CE1 4.03Å; I166-F195 HydrophobicContact CG2-CE2 4.3Å; I166-F195 HydrophobicContact CG2-CZ 3.55Å; I166-V205 HydrophobicContact CD1-CG1 3.87Å; I166-V205 HydrophobicContact CG2-CG2 4.14Å
167S98.8Very high98.6Very high0 Ų03.8 Ų3.80%02%0.019CC..Hα-helixtrans-61.1-49.1-172.266.50000114.1M76 N119 I163 A169 I170 A171M76-S167 WeakPolarHBondContact CE-O 3.26Å; N119-S167 PolarHBondContact ND2-OG 3.24Å; I163-S167 VanDerWaalsContact O-CB 3.3Å; I163-S167 WeakPolarHBondContact O-CB 3.48Å; I163-S167 PolarHBondContact O-N 3.16Å; I163-S167 PolarHBondContact O-OG 2.99Å; S167-A169 VanDerWaalsContact C-N 3.34Å; S167-A169 PolarHBondContact O-N 2.78Å; S167-I170 WeakPolarHBondContact O-CG1 3.23Å; S167-A171 WeakPolarHBondContact O-CB 3.3Å; S167-A171 PolarHBondContact O-N 3.04Å
168P98.7Very high98.6Very high1 Ų12.1 Ų2.11%0.0061%0.012CC..Hα-helixtrans-65.2-35.917425.7-34.7000112.7N119 R164 A171 A172 V471 Y474N119-P168 WeakPolarHBondContact OD1-CB 3.26Å; R164-P168 WeakPolarHBondContact O-CD 3.24Å; R164-P168 WeakPolarHBondContact O-CG 3.47Å; P168-A171 PolarHBondContact O-N 3.15Å; P168-A172 WeakPolarHBondContact O-CB 3.16Å; P168-A172 PolarHBondContact O-N 3.27Å; P168-V471 HydrophobicContact CB-CB 4.3Å; P168-Y474 HydrophobicContact CB-CD2 3.7Å; P168-Y474 HydrophobicContact CB-CE2 3.58Å; P168-Y474 HydrophobicContact CG-CD2 4.08Å; P168-Y474 HydrophobicContact CG-CE2 3.43Å; P168-Y474 VanDerWaalsContact CG-CE2 3.43Å
169A98.9Very high98.6Very high0 Ų02.3 Ų2.30%01%0.013CC..Hα-helixtrans-62.1-53179.300000111.8V149 K165 I166 S167 A171 A172 G173 C174 V176 Y474V149-A169 HydrophobicContact CG2-CB 4.28Å; K165-A169 WeakPolarHBondContact O-CB 3.31Å; I166-A169 WeakPolarHBondContact O-CB 3.17Å; I166-A169 PolarHBondContact O-N 2.9Å; S167-A169 VanDerWaalsContact C-N 3.34Å; S167-A169 PolarHBondContact O-N 2.78Å; A169-A171 VanDerWaalsContact C-N 3.33Å; A169-A171 PolarHBondContact O-N 2.8Å; A169-A172 PolarHBondContact O-N 3.41Å; A169-G173 PolarHBondContact O-N 2.96Å; A169-C174 HydrophobicContact CB-CB 4.17Å; A169-C174 VanDerWaalsContact O-CB 3.24Å; A169-C174 WeakPolarHBondContact O-CB 3.4Å; A169-C174 PolarHBondContact O-N 2.97Å; A169-V176 HydrophobicContact CB-CG2 3.63Å; A169-Y474 HydrophobicContact CB-CD1 3.59Å; A169-Y474 HydrophobicContact CB-CE1 3.65Å; A169-Y474 HydrophobicContact CB-CG 4.23Å
170I98.8Very high98.6Very high0 Ų02.4 Ų2.40%01%0.013CC..Hα-helixtrans-69.4-32.2179.668.3-176.2000111.6W64 R72 M76 I166 S167 A172 G173 V176 F195 F200 V204 V205W64-I170 HydrophobicContact CZ2-CB 4.16Å; R72-I170 WeakPolarHBondContact CD-O 3.48Å; R72-I170 PolarHBondContact NE-O 3.03Å; M76-I170 HydrophobicContact CE-CD1 4.31Å; M76-I170 HydrophobicContact CE-CG1 4.06Å; M76-I170 HydrophobicContact CG-CD1 3.85Å; M76-I170 HydrophobicContact CG-CG1 4.1Å; M76-I170 HydrophobicContact SD-CD1 4.31Å; M76-I170 HydrophobicContact SD-CG1 3.92Å; I166-I170 HydrophobicContact CG2-CD1 4Å; I166-I170 HydrophobicContact CG2-CG2 3.97Å; I166-I170 WeakPolarHBondContact O-CG1 3.38Å; I166-I170 PolarHBondContact O-N 3.14Å; S167-I170 WeakPolarHBondContact O-CG1 3.23Å; I170-A172 VanDerWaalsContact C-N 3.33Å; I170-A172 PolarHBondContact O-N 2.87Å; I170-G173 PolarHBondContact O-N 3.24Å; I170-G173 VanDerWaalsContact O-N 3.1Å; I170-V176 HydrophobicContact CG2-CG2 4.17Å; I170-F195 HydrophobicContact CD1-CE1 4Å; I170-F200 HydrophobicContact CD1-CE1 3.72Å; I170-F200 HydrophobicContact CD1-CZ 3.86Å; I170-V204 HydrophobicContact CG2-CG1 4.11Å; I170-V205 HydrophobicContact CG2-CG2 4.09Å
171A98.8Very high98.6Very high2 Ų22.6 Ų2.62%0.0172%0.015CC..Hα-helixtrans-60.6-42.7172.700000111.9R72 M76 N119 S167 P168 A169 G173 V471R72-A171 PolarHBondContact NE-O 2.93Å; R72-A171 PolarHBondContact NH2-O 3.49Å; M76-A171 HydrophobicContact CE-CB 3.95Å; M76-A171 HydrophobicContact SD-CB 3.79Å; N119-A171 HydrophobicContact CB-CB 4.18Å; N119-A171 WeakPolarHBondContact O-CB 3.4Å; S167-A171 WeakPolarHBondContact O-CB 3.3Å; S167-A171 PolarHBondContact O-N 3.04Å; P168-A171 PolarHBondContact O-N 3.15Å; A169-A171 VanDerWaalsContact C-N 3.33Å; A169-A171 PolarHBondContact O-N 2.8Å; A171-G173 PolarHBondContact O-N 2.65Å; A171-V471 HydrophobicContact CB-CG2 4.25Å
172A98.7Very high98.5Very high6 Ų68.4 Ų8.45%0.054%0.04CC..Hα-helixtrans-67.9-19.5175.700000113.5L126 A145 P168 A169 I170 V471 V475L126-A172 HydrophobicContact CD1-CB 4.11Å; A145-A172 WeakPolarHBondContact CB-O 3.46Å; P168-A172 WeakPolarHBondContact O-CB 3.16Å; P168-A172 PolarHBondContact O-N 3.27Å; A169-A172 PolarHBondContact O-N 3.41Å; I170-A172 VanDerWaalsContact C-N 3.33Å; I170-A172 PolarHBondContact O-N 2.87Å; A172-V471 HydrophobicContact CB-CG2 4.15Å; A172-V475 HydrophobicContact CB-CG1 3.91Å
173G98.8Very high98.5Very high0 Ų011.2 Ų11.20%05%0.053CC..THydrogen-bonded Turntrans96.818.9-175.800000113.7F61 S65 A145 A169 I170 A171F61-G173 WeakPolarHBondContact CE2-O 3.45Å; S65-G173 WeakPolarHBondContact CA-O 3.23Å; A145-G173 WeakPolarHBondContact CB-O 3.32Å; A169-G173 PolarHBondContact O-N 2.96Å; I170-G173 PolarHBondContact O-N 3.24Å; I170-G173 VanDerWaalsContact O-N 3.1Å; A171-G173 PolarHBondContact O-N 2.65Å
174C98.9Very high98.5Very high0 Ų011.2 Ų11.20%05%0.054CC..  trans-82159.7171.8-56.60000111.1W64 G147 V149 A169 Y474W64-C174 PolarHBondContact NE1-O 2.81Å; W64-C174 VanDerWaalsContact NE1-O 3.1Å; G147-C174 WeakPolarHBondContact O-CA 3.23Å; G147-C174 WeakPolarHBondContact O-CB 3.24Å; V149-C174 HydrophobicContact CG2-CB 3.7Å; A169-C174 HydrophobicContact CB-CB 4.17Å; A169-C174 VanDerWaalsContact O-CB 3.24Å; A169-C174 WeakPolarHBondContact O-CB 3.4Å; A169-C174 PolarHBondContact O-N 2.97Å; C174-Y474 PolarHBondContact SG-O 3.26Å
175T98.9Very high98.6Very high0 Ų011 Ų110%05%0.053CC..EExtended strand (participates in β ladder)trans-105.4154.4166.355.10000109.4A57 A60 F61 W64 G147 V149 V204A57-T175 WeakPolarHBondContact O-CB 3.43Å; A57-T175 WeakPolarHBondContact O-CG2 3.21Å; A57-T175 PolarHBondContact O-OG1 3.16Å; A60-T175 HydrophobicContact CB-CG2 4.09Å; F61-T175 HydrophobicContact CB-CG2 4.03Å; W64-T175 HydrophobicContact CB-CG2 4.28Å; W64-T175 HydrophobicContact CG-CG2 4.44Å; G147-T175 PolarHBondContact O-N 2.74Å; V149-T175 PolarHBondContact N-O 3.26Å; T175-V204 CarbonylContact C-O 3.56Å; T175-V204 WeakPolarHBondContact CA-O 3.4Å; T175-V204 HydrophobicContact CG2-CB 4.49Å; T175-V204 HydrophobicContact CG2-CG2 4.29Å
176V99Very high98.6Very high0 Ų011 Ų110%05%0.053CC..EExtended strand (participates in β ladder)trans-130.6138.7-167.5-171.20000111.9V149 A151 I166 A169 I170 V204 N206V149-V176 HydrophobicContact CB-CG2 4.39Å; V149-V176 CarbonylContact O-C 3.59Å; V149-V176 WeakPolarHBondContact O-CA 3.42Å; A151-V176 HydrophobicContact CB-CG1 3.82Å; I166-V176 HydrophobicContact CG1-CG1 4.08Å; A169-V176 HydrophobicContact CB-CG2 3.63Å; I170-V176 HydrophobicContact CG2-CG2 4.17Å; V176-V204 PolarHBondContact N-O 2.85Å; V176-N206 PolarHBondContact O-N 3.21Å; V176-N206 PolarHBondContact O-ND2 3.44Å; V176-N206 VanDerWaalsContact O-ND2 3.16Å
177I98.9Very high98.6Very high1 Ų111.1 Ų11.11%0.0055%0.054CC..EExtended strand (participates in β ladder)trans-114.1111164.5-53.1142.2000106.9A53 I54 A57 V148 V149 A151 V208 L219 V225A53-I177 HydrophobicContact CB-CG1 4.23Å; A53-I177 HydrophobicContact CB-CG2 3.88Å; I54-I177 HydrophobicContact CB-CD1 4.21Å; I54-I177 HydrophobicContact CG1-CD1 3.55Å; A57-I177 HydrophobicContact CB-CD1 4.25Å; A57-I177 HydrophobicContact CB-CG1 4Å; V148-I177 HydrophobicContact CG1-CD1 3.52Å; V148-I177 HydrophobicContact CG1-CG1 4.3Å; V149-I177 PolarHBondContact O-N 3.2Å; A151-I177 PolarHBondContact N-O 3.37Å; I177-V208 HydrophobicContact CG2-CG2 4.26Å; I177-L219 HydrophobicContact CB-CD2 4.21Å; I177-L219 HydrophobicContact CD1-CD2 3.88Å; I177-L219 HydrophobicContact CG2-CD2 3.98Å; I177-V225 HydrophobicContact CD1-CG2 4.21Å
178L98.9Very high98.6Very high0 Ų011.1 Ų11.10%05%0.054CC..EExtended strand (participates in β ladder)trans-91.7131.7179.7177.770.5000110.4A151 T153 I162 I166 A188 M192 N206 I207 V208A151-L178 HydrophobicContact CB-CD1 4.21Å; A151-L178 CarbonylContact O-C 3.53Å; A151-L178 WeakPolarHBondContact O-CA 3.34Å; T153-L178 HydrophobicContact CG2-CD1 4.11Å; I162-L178 HydrophobicContact CB-CD2 4.43Å; I162-L178 HydrophobicContact CD1-CD2 3.96Å; I162-L178 HydrophobicContact CG1-CD1 4.15Å; I162-L178 HydrophobicContact CG1-CD2 4.1Å; I162-L178 HydrophobicContact CG2-CD1 4.12Å; I162-L178 HydrophobicContact CG2-CD2 3.55Å; I162-L178 HydrophobicContact CG2-CG 4.48Å; I166-L178 HydrophobicContact CD1-CB 4.47Å; I166-L178 HydrophobicContact CD1-CD2 4.19Å; L178-A188 HydrophobicContact CD2-CB 4.34Å; L178-M192 HydrophobicContact CD2-CE 4.08Å; L178-N206 WeakPolarHBondContact CB-O 3.31Å; L178-N206 PolarHBondContact N-O 3.36Å; L178-I207 HydrophobicContact CB-CG1 4.3Å; L178-I207 HydrophobicContact CD2-CD1 3.95Å; L178-I207 HydrophobicContact CD2-CG1 4Å; L178-I207 HydrophobicContact CG-CG1 4.26Å; L178-I207 WeakPolarHBondContact O-CA 3.37Å; L178-V208 PolarHBondContact O-N 3.3Å
179K98.6Very high98.6Very high7 Ų711.1 Ų11.13%0.035%0.054CC..EExtended strand (participates in β ladder)trans-120.1102164.8-167.9-84.6162.3-165.10108.5A151 I152 T153 G210 S212 I215A151-K179 PolarHBondContact O-N 3.2Å; I152-K179 WeakPolarHBondContact CA-O 3.49Å; I152-K179 HydrophobicContact CG1-CB 4.24Å; I152-K179 HydrophobicContact CG2-CD 4.26Å; T153-K179 PolarHBondContact N-O 3.44Å; T153-K179 VanDerWaalsContact N-O 3.11Å; K179-G210 WeakPolarHBondContact CE-O 3.4Å; K179-G210 PolarHBondContact NZ-O 3.23Å; K179-S212 PolarHBondContact NZ-OG 3.18Å; K179-I215 HydrophobicContact CB-CG2 4.12Å; K179-I215 HydrophobicContact CG-CB 4.12Å; K179-I215 HydrophobicContact CG-CD1 3.69Å; K179-I215 HydrophobicContact CG-CG1 4.5Å; K179-I215 HydrophobicContact CG-CG2 3.79Å
180P98.5Very high98.6Very high3 Ų311.1 Ų11.12%0.0195%0.054CC..  trans-78.8174.317537.7-40000112.2T153 I162 A188 I207 L209T153-P180 WeakPolarHBondContact OG1-CA 3.29Å; I162-P180 HydrophobicContact CD1-CB 4.46Å; P180-A188 HydrophobicContact CB-CB 3.76Å; P180-A188 HydrophobicContact CG-CB 3.8Å; P180-I207 HydrophobicContact CG-CD1 4Å; P180-I207 HydrophobicContact CG-CG1 4.32Å; P180-L209 HydrophobicContact CG-CD2 3.27Å
181S97.8Very high98.6Very high16 Ų1611.1 Ų11.111%0.1125%0.054CC..  trans-63147.6168.7-173.90000111.2T153 E183T153-S181 PolarHBondContact O-N 3.05Å; S181-E183 PolarHBondContact O-N 2.86Å; S181-E183 PolarHBondContact OG-N 3.37Å
182K96.8Very high98.6Very high135 Ų13511 Ų1159%0.5875%0.053SC*.SBendtrans-71.5-21173.763.5172.7-175.5169.90113.1T184K182-T184 VanDerWaalsContact C-N 3.35Å
183E97.6Very high98.6Very high58 Ų5812 Ų1227%0.2716%0.057SC..SBendtrans-74.9-29-179.6-56.2-61.5155.300111.5W155 S181 I330W155-E183 HydrophobicContact CB-CB 3.92Å; W155-E183 HydrophobicContact CB-CG 4.46Å; W155-E183 HydrophobicContact CG-CB 4.35Å; W155-E183 HydrophobicContact CG-CG 4.43Å; S181-E183 PolarHBondContact O-N 2.86Å; S181-E183 PolarHBondContact OG-N 3.37Å; E183-I330 HydrophobicContact CB-CD1 4.24Å; E183-I330 HydrophobicContact CB-CG1 4.03Å; E183-I330 HydrophobicContact CG-CG1 4.29Å
184T98.6Very high98.6Very high1 Ų112.2 Ų12.21%0.0066%0.057CC..SBendtrans-137.158.1-172.4590000112.1E97 Q98 W155 P158 K182 I330E97-T184 VanDerWaalsContact CD-CA 3.42Å; E97-T184 HydrophobicContact CG-CG2 4.15Å; E97-T184 WeakPolarHBondContact OE2-CA 3.5Å; Q98-T184 HydrophobicContact CB-CG2 3.68Å; Q98-T184 HydrophobicContact CG-CG2 3.79Å; W155-T184 VanDerWaalsContact CA-OG1 3.3Å; W155-T184 WeakPolarHBondContact CA-OG1 3.29Å; W155-T184 HydrophobicContact CB-CG2 3.79Å; P158-T184 HydrophobicContact CB-CG2 4.16Å; P158-T184 VanDerWaalsContact CB-OG1 3.24Å; P158-T184 WeakPolarHBondContact CB-OG1 3.1Å; P158-T184 HydrophobicContact CG-CG2 4.35Å; K182-T184 VanDerWaalsContact C-N 3.35Å; T184-I330 HydrophobicContact CG2-CD1 4.17Å
185P98.6Very high98.6Very high1 Ų112.2 Ų12.21%0.0066%0.058CC..Hα-helixtrans-77.3-24.4-17732.8-34.8000113V30 V42 E97 A188 L189 L209V30-P185 HydrophobicContact CG1-CG 4.45Å; V30-P185 HydrophobicContact CG2-CG 3.43Å; V30-P185 VanDerWaalsContact CG2-CG 3.43Å; V42-P185 HydrophobicContact CG1-CG 4.13Å; V42-P185 HydrophobicContact CG2-CB 4.37Å; V42-P185 HydrophobicContact CG2-CG 3.93Å; E97-P185 WeakPolarHBondContact OE2-CD 3.27Å; P185-A188 VanDerWaalsContact O-CB 3.3Å; P185-A188 WeakPolarHBondContact O-CB 3.13Å; P185-A188 PolarHBondContact O-N 2.92Å; P185-A188 VanDerWaalsContact O-N 3.17Å; P185-L189 WeakPolarHBondContact O-CG 3.36Å; P185-L189 PolarHBondContact O-N 3.22Å; P185-L209 HydrophobicContact CB-CD1 3.92Å; P185-L209 HydrophobicContact CB-CD2 3.99Å
186L98.9Very high98.6Very high0 Ų015.5 Ų15.50%08%0.075CC..Hα-helixtrans-70.6-38-171.3-51.6178.4000112L7 V10 V30 L39 V40 V42 I93 E97 A188 L189 A190L7-L186 HydrophobicContact CD1-CD1 4.07Å; L7-L186 HydrophobicContact CD2-CD1 4.02Å; V10-L186 HydrophobicContact CG1-CB 4.47Å; V10-L186 HydrophobicContact CG1-CD2 4.12Å; V30-L186 HydrophobicContact CB-CD1 4.37Å; V30-L186 HydrophobicContact CG1-CD1 4.01Å; V30-L186 HydrophobicContact CG1-CG 4.17Å; V30-L186 HydrophobicContact CG2-CD2 4.18Å; V30-L186 HydrophobicContact CG2-CG 4.23Å; L39-L186 HydrophobicContact CD1-CD1 4.47Å; V40-L186 HydrophobicContact CG1-CD1 3.87Å; V40-L186 HydrophobicContact CG1-CD2 3.62Å; V40-L186 HydrophobicContact CG1-CG 4.35Å; V42-L186 HydrophobicContact CG1-CD2 3.55Å; I93-L186 HydrophobicContact CG2-CB 3.53Å; E97-L186 HydrophobicContact CB-CD1 4.37Å; E97-L186 WeakPolarHBondContact OE2-CA 3.44Å; E97-L186 WeakPolarHBondContact OE2-CB 3.22Å; E97-L186 WeakPolarHBondContact OE2-CG 3.43Å; E97-L186 PolarHBondContact OE2-N 3.06Å; L186-A188 PolarHBondContact O-N 3.22Å; L186-L189 HydrophobicContact CD2-CD1 4.39Å; L186-L189 PolarHBondContact O-N 3.45Å; L186-A190 WeakPolarHBondContact O-CB 3.48Å; L186-A190 PolarHBondContact O-N 3.42Å
187S98.9Very high98.5Very high3 Ų320.7 Ų20.72%0.02110%0.099CC..Hα-helixtrans-58.4-37172.6-65.60000111.3E97 L191E97-S187 WeakPolarHBondContact OE1-CA 3.43Å; E97-S187 WeakPolarHBondContact OE1-CB 3.49Å; E97-S187 PolarHBondContact OE1-N 3.43Å; E97-S187 PolarHBondContact OE1-OG 3.39Å; S187-L191 WeakPolarHBondContact O-CG 3.37Å; S187-L191 PolarHBondContact O-N 3Å
188A98.9Very high98.5Very high0 Ų020.7 Ų20.70%010%0.099CC..Hα-helixtrans-69.6-45.2177.200000111.8I162 L178 P180 P185 L186 L191 M192 I207I162-A188 VanDerWaalsContact CD1-CA 3.46Å; I162-A188 HydrophobicContact CD1-CB 3.27Å; L178-A188 HydrophobicContact CD2-CB 4.34Å; P180-A188 HydrophobicContact CB-CB 3.76Å; P180-A188 HydrophobicContact CG-CB 3.8Å; P185-A188 VanDerWaalsContact O-CB 3.3Å; P185-A188 WeakPolarHBondContact O-CB 3.13Å; P185-A188 PolarHBondContact O-N 2.92Å; P185-A188 VanDerWaalsContact O-N 3.17Å; L186-A188 PolarHBondContact O-N 3.22Å; A188-L191 PolarHBondContact O-N 2.96Å; A188-M192 WeakPolarHBondContact O-CG 3.48Å; A188-M192 PolarHBondContact O-N 2.99Å; A188-I207 HydrophobicContact CB-CD1 3.54Å
189L98.9Very high98.5Very high0 Ų022.7 Ų22.70%012%0.12CC..Hα-helixtrans-64.7-42.4178.6-66175.2000111.8V10 E11 R13 W20 V42 P185 L186 L191 M192 E193 I207 L209V10-L189 HydrophobicContact CG2-CB 4.2Å; E11-L189 WeakPolarHBondContact O-CD1 3.39Å; R13-L189 WeakPolarHBondContact O-CD2 3.34Å; W20-L189 HydrophobicContact CZ3-CD2 4.13Å; V42-L189 HydrophobicContact CG1-CD1 3.99Å; P185-L189 WeakPolarHBondContact O-CG 3.36Å; P185-L189 PolarHBondContact O-N 3.22Å; L186-L189 HydrophobicContact CD2-CD1 4.39Å; L186-L189 PolarHBondContact O-N 3.45Å; L189-L191 VanDerWaalsContact C-N 3.29Å; L189-L191 PolarHBondContact O-N 3.28Å; L189-M192 WeakPolarHBondContact O-CA 3.41Å; L189-M192 WeakPolarHBondContact O-CB 3.45Å; L189-M192 PolarHBondContact O-N 3.15Å; L189-E193 PolarHBondContact O-N 2.78Å; L189-I207 HydrophobicContact CD2-CD1 4.09Å; L189-I207 HydrophobicContact CD2-CG2 4.2Å; L189-L209 HydrophobicContact CD1-CD1 3.89Å; L189-L209 HydrophobicContact CD2-CD1 4.09Å; L189-L209 HydrophobicContact CG-CD1 4.21Å
190A98.9Very high98.5Very high0 Ų023 Ų230%012%0.122CC..Hα-helixtrans-60.8-38.2175.400000111.9V10 L90 I93 L186 M192 E193 L194V10-A190 HydrophobicContact CG2-CB 3.92Å; L90-A190 HydrophobicContact CD2-CB 3.63Å; I93-A190 HydrophobicContact CD1-CB 3.99Å; L186-A190 WeakPolarHBondContact O-CB 3.48Å; L186-A190 PolarHBondContact O-N 3.42Å; A190-M192 VanDerWaalsContact C-N 3.35Å; A190-E193 WeakPolarHBondContact O-CB 3.49Å; A190-E193 PolarHBondContact O-N 2.64Å; A190-L194 PolarHBondContact O-N 3.13Å
191L98.9Very high98.5Very high0 Ų025.5 Ų25.50%014%0.138CC..Hα-helixtrans-64.8-37.5170.9-72.6176.5000112.2M79 V83 S159 I162 I163 S187 A188 L189 E193 L194 F195M79-L191 HydrophobicContact CE-CD2 4.26Å; V83-L191 HydrophobicContact CG2-CD2 4.18Å; S159-L191 WeakPolarHBondContact OG-CD1 3.44Å; I162-L191 HydrophobicContact CB-CD1 4.04Å; I162-L191 HydrophobicContact CD1-CD1 4.28Å; I162-L191 HydrophobicContact CG2-CD1 3.92Å; I163-L191 HydrophobicContact CD1-CD1 4.01Å; I163-L191 HydrophobicContact CD1-CD2 4.22Å; I163-L191 HydrophobicContact CG1-CD1 3.88Å; I163-L191 HydrophobicContact CG1-CD2 4.37Å; S187-L191 WeakPolarHBondContact O-CG 3.37Å; S187-L191 PolarHBondContact O-N 3Å; A188-L191 PolarHBondContact O-N 2.96Å; L189-L191 VanDerWaalsContact C-N 3.29Å; L189-L191 PolarHBondContact O-N 3.28Å; L191-E193 VanDerWaalsContact C-N 3.33Å; L191-E193 PolarHBondContact O-N 3.1Å; L191-L194 PolarHBondContact O-N 2.95Å; L191-L194 VanDerWaalsContact O-N 3.12Å; L191-F195 VanDerWaalsContact O-CD2 3.26Å; L191-F195 WeakPolarHBondContact O-CD2 3.44Å; L191-F195 PolarHBondContact O-N 3.12Å
192M98.8Very high98.5Very high0 Ų029.1 Ų29.10%016%0.156CC..Hα-helixtrans-65.9-34.7178-66.8-53.1107.500112.5Y15 W20 I166 L178 A188 L189 A190 L194 F195 D196 V205 I207Y15-M192 HydrophobicContact CD1-CB 4.35Å; Y15-M192 HydrophobicContact CD1-SD 4.33Å; Y15-M192 HydrophobicContact CG-CB 4.25Å; W20-M192 HydrophobicContact CH2-CB 3.67Å; W20-M192 HydrophobicContact CZ2-CB 4.41Å; W20-M192 HydrophobicContact CZ3-CB 4.37Å; I166-M192 HydrophobicContact CD1-CE 3.98Å; L178-M192 HydrophobicContact CD2-CE 4.08Å; A188-M192 WeakPolarHBondContact O-CG 3.48Å; A188-M192 PolarHBondContact O-N 2.99Å; L189-M192 WeakPolarHBondContact O-CA 3.41Å; L189-M192 WeakPolarHBondContact O-CB 3.45Å; L189-M192 PolarHBondContact O-N 3.15Å; A190-M192 VanDerWaalsContact C-N 3.35Å; M192-L194 PolarHBondContact O-N 3.47Å; M192-F195 HydrophobicContact CE-CD2 3.53Å; M192-F195 HydrophobicContact CE-CE2 3.83Å; M192-F195 PolarHBondContact O-N 3.4Å; M192-F195 HydrophobicContact SD-CD2 4.18Å; M192-D196 WeakPolarHBondContact O-CB 3.42Å; M192-D196 PolarHBondContact O-N 3.14Å; M192-V205 HydrophobicContact CE-CG1 3.93Å; M192-V205 HydrophobicContact SD-CG1 3.57Å; M192-V205 VanDerWaalsContact SD-CG1 3.57Å; M192-I207 HydrophobicContact CG-CB 4.02Å; M192-I207 HydrophobicContact CG-CD1 4.16Å; M192-I207 HydrophobicContact CG-CG2 3.9Å; M192-I207 HydrophobicContact SD-CB 4.36Å
193E98.8Very high98.6Very high28 Ų2822.8 Ų22.813%0.13113%0.129CC..Hα-helixtrans-56.9-39.5170.2-63.3172155.100111.6V10 E11 W20 R89 L189 A190 L191 Q197V10-E193 WeakPolarHBondContact CA-OE1 3.2Å; E11-E193 HydrophobicContact CB-CG 4.3Å; E11-E193 HydrophobicContact CG-CG 4.33Å; E11-E193 PolarHBondContact N-OE1 3.18Å; W20-E193 HydrophobicContact CH2-CG 4Å; W20-E193 HydrophobicContact CZ2-CB 4.45Å; W20-E193 HydrophobicContact CZ2-CG 3.83Å; R89-E193 IonicContact CZ-OE2 2.69Å; R89-E193 VanDerWaalsContact CZ-OE2 3.23Å; R89-E193 IonicContact NH1-OE2 2.65Å; R89-E193 PolarHBondContact NH1-OE2 3.34Å; R89-E193 IonicContact NH2-OE2 2.64Å; R89-E193 PolarHBondContact NH2-OE2 3.42Å; L189-E193 PolarHBondContact O-N 2.78Å; A190-E193 WeakPolarHBondContact O-CB 3.49Å; A190-E193 PolarHBondContact O-N 2.64Å; L191-E193 VanDerWaalsContact C-N 3.33Å; L191-E193 PolarHBondContact O-N 3.1Å; E193-Q197 WeakPolarHBondContact O-CB 3.48Å; E193-Q197 VanDerWaalsContact O-CG 3.23Å; E193-Q197 WeakPolarHBondContact O-CG 3.42Å; E193-Q197 PolarHBondContact O-N 2.98Å; E193-Q197 PolarHBondContact O-NE2 2.96Å
194L98.9Very high98.7Very high3 Ų320 Ų202%0.01612%0.116CC..Hα-helixtrans-75.8-34.4178.4-57.7-175.7000112.1M79 L82 V83 D86 L90 A190 L191 M192 D196 Q197 A198M79-L194 HydrophobicContact CE-CB 3.61Å; M79-L194 HydrophobicContact SD-CB 3.74Å; L82-L194 HydrophobicContact CB-CB 4.47Å; L82-L194 HydrophobicContact CB-CD2 4.34Å; V83-L194 HydrophobicContact CB-CD1 4.43Å; V83-L194 HydrophobicContact CG2-CD1 3.79Å; D86-L194 HydrophobicContact CB-CD1 4.34Å; D86-L194 HydrophobicContact CB-CD2 4.44Å; L90-L194 HydrophobicContact CD1-CD1 3.85Å; L90-L194 HydrophobicContact CD2-CD1 4.24Å; L90-L194 HydrophobicContact CG-CD1 4.47Å; A190-L194 PolarHBondContact O-N 3.13Å; L191-L194 PolarHBondContact O-N 2.95Å; L191-L194 VanDerWaalsContact O-N 3.12Å; M192-L194 PolarHBondContact O-N 3.47Å; L194-D196 VanDerWaalsContact C-N 3.35Å; L194-Q197 PolarHBondContact O-N 3Å; L194-A198 VanDerWaalsContact O-CB 3.24Å; L194-A198 WeakPolarHBondContact O-CB 3.44Å; L194-A198 PolarHBondContact O-N 3.43Å
195F98.7Very high98.7Very high1 Ų120.1 Ų20.10%0.00412%0.117CC..Hα-helixtrans-62.8-41.4171.8-85.7-73.2000112M79 I163 I166 I170 L191 M192 A198 G199 F200 V205M79-F195 HydrophobicContact CE-CD1 4.35Å; M79-F195 HydrophobicContact CE-CD2 3.55Å; M79-F195 HydrophobicContact CE-CE1 4.37Å; M79-F195 HydrophobicContact CE-CE2 3.58Å; M79-F195 HydrophobicContact CE-CG 3.95Å; M79-F195 HydrophobicContact CE-CZ 3.99Å; M79-F195 HydrophobicContact CG-CD1 4.45Å; M79-F195 HydrophobicContact CG-CE1 4.18Å; M79-F195 HydrophobicContact CG-CZ 4.37Å; M79-F195 HydrophobicContact SD-CD1 4.09Å; M79-F195 HydrophobicContact SD-CD2 4.27Å; M79-F195 HydrophobicContact SD-CE1 4.33Å; M79-F195 HydrophobicContact SD-CG 4.04Å; I163-F195 HydrophobicContact CD1-CE2 3.99Å; I163-F195 HydrophobicContact CD1-CZ 4.07Å; I166-F195 HydrophobicContact CB-CZ 4.44Å; I166-F195 HydrophobicContact CD1-CE2 4.27Å; I166-F195 HydrophobicContact CG2-CE1 4.03Å; I166-F195 HydrophobicContact CG2-CE2 4.3Å; I166-F195 HydrophobicContact CG2-CZ 3.55Å; I170-F195 HydrophobicContact CD1-CE1 4Å; L191-F195 VanDerWaalsContact O-CD2 3.26Å; L191-F195 WeakPolarHBondContact O-CD2 3.44Å; L191-F195 PolarHBondContact O-N 3.12Å; M192-F195 HydrophobicContact CE-CD2 3.53Å; M192-F195 HydrophobicContact CE-CE2 3.83Å; M192-F195 PolarHBondContact O-N 3.4Å; M192-F195 HydrophobicContact SD-CD2 4.18Å; F195-A198 PolarHBondContact O-N 3.06Å; F195-G199 PolarHBondContact O-N 2.62Å; F195-F200 AromaticContact CD1-CD2 3.61Å; F195-F200 HydrophobicContact CD1-CD2 3.61Å; F195-F200 AromaticContact CD1-CE2 3.64Å; F195-F200 HydrophobicContact CD1-CE2 3.64Å; F195-F200 HydrophobicContact CD1-CG 4.21Å; F195-F200 HydrophobicContact CD1-CZ 4.27Å; F195-F200 HydrophobicContact CE1-CD2 4.31Å; F195-F200 AromaticContact CE1-CE2 3.94Å; F195-F200 HydrophobicContact CE1-CE2 3.94Å; F195-F200 HydrophobicContact CE1-CZ 4.16Å; F195-V205 HydrophobicContact CD1-CG2 4.03Å; F195-V205 HydrophobicContact CD2-CG1 4.48Å; F195-V205 HydrophobicContact CE1-CG2 4.12Å
196D98.1Very high98.7Very high69 Ų6920.1 Ų20.137%0.36912%0.116SC..Hα-helixtrans-60.8-50.7173.5-175.652.8000110.7Y15 M192 L194 A198 G199Y15-D196 HydrophobicContact CE2-CB 3.93Å; Y15-D196 WeakPolarHBondContact OH-CB 3.34Å; Y15-D196 PolarHBondContact OH-OD1 2.89Å; Y15-D196 VanDerWaalsContact OH-OD1 3.14Å; M192-D196 WeakPolarHBondContact O-CB 3.42Å; M192-D196 PolarHBondContact O-N 3.14Å; L194-D196 VanDerWaalsContact C-N 3.35Å; D196-A198 VanDerWaalsContact C-N 3.32Å; D196-A198 PolarHBondContact O-N 3.17Å; D196-G199 PolarHBondContact O-N 3.46Å
197Q98.5Very high98.7Very high108 Ų10820.1 Ų20.151%0.50512%0.116SC..Hα-helixtrans-62.8-33.7176.8-72.3176.251.700113.8K78 L82 E193 L194 G199K78-Q197 PolarHBondContact NZ-O 3.17Å; L82-Q197 HydrophobicContact CD1-CB 3.97Å; E193-Q197 WeakPolarHBondContact O-CB 3.48Å; E193-Q197 VanDerWaalsContact O-CG 3.23Å; E193-Q197 WeakPolarHBondContact O-CG 3.42Å; E193-Q197 PolarHBondContact O-N 2.98Å; E193-Q197 PolarHBondContact O-NE2 2.96Å; L194-Q197 PolarHBondContact O-N 3Å; Q197-G199 PolarHBondContact O-N 3.2Å
198A98.5Very high98.7Very high1 Ų120 Ų201%0.00812%0.115CC..Hα-helixtrans-63.7-25.9175.400000111.5K78 M79 L82 L194 F195 D196 F200K78-A198 WeakPolarHBondContact CD-O 3.42Å; K78-A198 WeakPolarHBondContact CE-O 3.24Å; K78-A198 VanDerWaalsContact NZ-C 3.3Å; K78-A198 PolarHBondContact NZ-O 2.7Å; M79-A198 HydrophobicContact CB-CB 4.19Å; M79-A198 HydrophobicContact SD-CB 4.25Å; L82-A198 HydrophobicContact CD1-CB 3.95Å; L194-A198 VanDerWaalsContact O-CB 3.24Å; L194-A198 WeakPolarHBondContact O-CB 3.44Å; L194-A198 PolarHBondContact O-N 3.43Å; F195-A198 PolarHBondContact O-N 3.06Å; D196-A198 VanDerWaalsContact C-N 3.32Å; D196-A198 PolarHBondContact O-N 3.17Å; A198-F200 HydrophobicContact CB-CD2 3.77Å; A198-F200 HydrophobicContact CB-CE2 3.77Å
199G98.2Very high98.7Very high43 Ų4320.3 Ų20.344%0.44312%0.117SC..THydrogen-bonded Turntrans81.137.2177.900000112.4F195 D196 Q197F195-G199 PolarHBondContact O-N 2.62Å; D196-G199 PolarHBondContact O-N 3.46Å; Q197-G199 PolarHBondContact O-N 3.2Å
200F98.7Very high98.6Very high12 Ų1220.7 Ų20.75%0.05312%0.121CC..PPolyproline II helixtrans-63.5142.9165.8-77.7-94.4000109.6W64 L75 M76 M79 I170 F195 A198 V204W64-F200 AromaticContact CH2-CD1 3.81Å; W64-F200 HydrophobicContact CH2-CD1 3.81Å; W64-F200 AromaticContact CH2-CE1 3.86Å; W64-F200 HydrophobicContact CH2-CE1 3.86Å; W64-F200 HydrophobicContact CZ2-CD1 4.11Å; W64-F200 HydrophobicContact CZ2-CE1 4.04Å; L75-F200 HydrophobicContact CB-CD1 4.34Å; L75-F200 HydrophobicContact CB-CE1 3.83Å; L75-F200 HydrophobicContact CB-CE2 4.07Å; L75-F200 HydrophobicContact CB-CZ 3.69Å; L75-F200 HydrophobicContact CD1-CD1 4.31Å; L75-F200 HydrophobicContact CD1-CE1 4.48Å; M76-F200 HydrophobicContact CG-CE1 4.43Å; M76-F200 HydrophobicContact CG-CZ 4.11Å; M79-F200 HydrophobicContact CB-CE2 4.09Å; I170-F200 HydrophobicContact CD1-CE1 3.72Å; I170-F200 HydrophobicContact CD1-CZ 3.86Å; F195-F200 AromaticContact CD1-CD2 3.61Å; F195-F200 HydrophobicContact CD1-CD2 3.61Å; F195-F200 AromaticContact CD1-CE2 3.64Å; F195-F200 HydrophobicContact CD1-CE2 3.64Å; F195-F200 HydrophobicContact CD1-CG 4.21Å; F195-F200 HydrophobicContact CD1-CZ 4.27Å; F195-F200 HydrophobicContact CE1-CD2 4.31Å; F195-F200 AromaticContact CE1-CE2 3.94Å; F195-F200 HydrophobicContact CE1-CE2 3.94Å; F195-F200 HydrophobicContact CE1-CZ 4.16Å; A198-F200 HydrophobicContact CB-CD2 3.77Å; A198-F200 HydrophobicContact CB-CE2 3.77Å; F200-V204 HydrophobicContact CD1-CG1 4.27Å
201P98.7Very high98.4Very high56 Ų5623.8 Ų23.836%0.36414%0.138SC..PPolyproline II helixtrans-58.7146.6177.7-22.431.9000112.5W64 G203 V204W64-P201 HydrophobicContact CE3-CG 3.99Å; W64-P201 HydrophobicContact CZ3-CG 4.11Å; P201-G203 PolarHBondContact O-N 3.39Å; P201-V204 HydrophobicContact CB-CG2 3.88Å; P201-V204 HydrophobicContact CG-CG2 4.16Å; P201-V204 WeakPolarHBondContact O-CB 3.47Å; P201-V204 WeakPolarHBondContact O-CG2 3.13Å; P201-V204 PolarHBondContact O-N 3.12Å; P201-V204 VanDerWaalsContact O-N 3.09Å
202D98.8Very high98Very high93 Ų9327 Ų2750%0.49716%0.16SC..THydrogen-bonded Turntrans-49.7132.3175.9-62.1-4.3000110.8A60 V204A60-D202 VanDerWaalsContact CB-O 3.31Å; A60-D202 WeakPolarHBondContact CB-O 3.03Å; D202-V204 VanDerWaalsContact C-N 3.3Å; D202-V204 PolarHBondContact O-N 2.85Å
203G98.8Very high97.7Very high1 Ų131.3 Ų31.31%0.0119%0.19CC..THydrogen-bonded Turntrans83.9-8.8177.900000115.1A57 P201 N206A57-G203 VanDerWaalsContact CA-O 3.3Å; A57-G203 WeakPolarHBondContact CA-O 3.39Å; P201-G203 PolarHBondContact O-N 3.39Å; G203-N206 PolarHBondContact O-ND2 3.38Å
204V98.9Very high97.5Very high0 Ų032.2 Ų32.20%020%0.198CC..SBendtrans-68-39.6177.7173.10000112.2A60 W64 I170 T175 V176 F200 P201 D202A60-V204 HydrophobicContact CB-CG2 4.3Å; W64-V204 HydrophobicContact CB-CG2 3.91Å; W64-V204 HydrophobicContact CD2-CG1 3.91Å; W64-V204 HydrophobicContact CD2-CG2 3.8Å; W64-V204 HydrophobicContact CE3-CG2 4.08Å; W64-V204 HydrophobicContact CG-CG1 4.08Å; W64-V204 HydrophobicContact CG-CG2 3.72Å; W64-V204 HydrophobicContact CZ2-CG1 4.09Å; I170-V204 HydrophobicContact CG2-CG1 4.11Å; T175-V204 CarbonylContact C-O 3.56Å; T175-V204 WeakPolarHBondContact CA-O 3.4Å; T175-V204 HydrophobicContact CG2-CB 4.49Å; T175-V204 HydrophobicContact CG2-CG2 4.29Å; V176-V204 PolarHBondContact N-O 2.85Å; F200-V204 HydrophobicContact CD1-CG1 4.27Å; P201-V204 HydrophobicContact CB-CG2 3.88Å; P201-V204 HydrophobicContact CG-CG2 4.16Å; P201-V204 WeakPolarHBondContact O-CB 3.47Å; P201-V204 WeakPolarHBondContact O-CG2 3.13Å; P201-V204 PolarHBondContact O-N 3.12Å; P201-V204 VanDerWaalsContact O-N 3.09Å; D202-V204 VanDerWaalsContact C-N 3.3Å; D202-V204 PolarHBondContact O-N 2.85Å
205V98.9Very high97.5Very high4 Ų432 Ų322%0.02420%0.197CC..EExtended strand (participates in β ladder)trans-127.8125.9173.5-174.30000108.1Y15 I166 I170 M192 F195Y15-V205 WeakPolarHBondContact CE1-O 3.44Å; I166-V205 HydrophobicContact CD1-CG1 3.87Å; I166-V205 HydrophobicContact CG2-CG2 4.14Å; I170-V205 HydrophobicContact CG2-CG2 4.09Å; M192-V205 HydrophobicContact CE-CG1 3.93Å; M192-V205 HydrophobicContact SD-CG1 3.57Å; M192-V205 VanDerWaalsContact SD-CG1 3.57Å; F195-V205 HydrophobicContact CD1-CG2 4.03Å; F195-V205 HydrophobicContact CD2-CG1 4.48Å; F195-V205 HydrophobicContact CE1-CG2 4.12Å
206N98.9Very high97.4Very high0 Ų032.2 Ų32.20%020%0.199CC..EExtended strand (participates in β ladder)trans-129.8150.5178.1-50.1-92.2000108.8Y15 N17 A53 V176 L178 G203Y15-N206 CarbonylContact O-C 3.46Å; Y15-N206 VanDerWaalsContact O-CA 3.27Å; Y15-N206 WeakPolarHBondContact O-CA 3.38Å; N17-N206 PolarHBondContact N-OD1 2.74Å; A53-N206 HydrophobicContact CB-CB 4.07Å; V176-N206 PolarHBondContact O-N 3.21Å; V176-N206 PolarHBondContact O-ND2 3.44Å; V176-N206 VanDerWaalsContact O-ND2 3.16Å; L178-N206 WeakPolarHBondContact CB-O 3.31Å; L178-N206 PolarHBondContact N-O 3.36Å; G203-N206 PolarHBondContact O-ND2 3.38Å
207I98.8Very high97.4Very high0 Ų030.1 Ų30.10%019%0.189CC..EExtended strand (participates in β ladder)trans-125.9135.6173.3-164.6176.6000110.2Y15 L178 P180 A188 L189 M192 L209Y15-I207 PolarHBondContact O-N 2.95Å; L178-I207 HydrophobicContact CB-CG1 4.3Å; L178-I207 HydrophobicContact CD2-CD1 3.95Å; L178-I207 HydrophobicContact CD2-CG1 4Å; L178-I207 HydrophobicContact CG-CG1 4.26Å; L178-I207 WeakPolarHBondContact O-CA 3.37Å; P180-I207 HydrophobicContact CG-CD1 4Å; P180-I207 HydrophobicContact CG-CG1 4.32Å; A188-I207 HydrophobicContact CB-CD1 3.54Å; L189-I207 HydrophobicContact CD2-CD1 4.09Å; L189-I207 HydrophobicContact CD2-CG2 4.2Å; M192-I207 HydrophobicContact CG-CB 4.02Å; M192-I207 HydrophobicContact CG-CD1 4.16Å; M192-I207 HydrophobicContact CG-CG2 3.9Å; M192-I207 HydrophobicContact SD-CB 4.36Å; I207-L209 HydrophobicContact CD1-CD2 3.87Å; I207-L209 HydrophobicContact CG1-CD2 4.07Å
208V98.7Very high97.4Very high0 Ų026.1 Ų26.10%017%0.171CC..  trans-125.6119.9169.8-1720000108.4I16 E49 V50 A53 I177 L178 I215I16-V208 HydrophobicContact CD1-CG2 4.21Å; E49-V208 HydrophobicContact CB-CG1 4.3Å; V50-V208 HydrophobicContact CG2-CG1 3.96Å; A53-V208 HydrophobicContact CB-CG2 3.66Å; I177-V208 HydrophobicContact CG2-CG2 4.26Å; L178-V208 PolarHBondContact O-N 3.3Å; V208-I215 HydrophobicContact CB-CD1 4.38Å; V208-I215 HydrophobicContact CG1-CD1 3.85Å
209L98.6Very high97.4Very high7 Ų726 Ų264%0.03717%0.17CC..  trans-92.8134.6173.3-53.6-176.4000108.4L14 V42 G45 P180 P185 L189 I207L14-L209 HydrophobicContact CD2-CB 3.65Å; L14-L209 HydrophobicContact CD2-CD1 4.24Å; L14-L209 HydrophobicContact CD2-CG 3.73Å; V42-L209 HydrophobicContact CB-CD1 4.05Å; V42-L209 HydrophobicContact CG2-CD1 4.09Å; G45-L209 PolarHBondContact N-O 3.01Å; P180-L209 HydrophobicContact CG-CD2 3.27Å; P185-L209 HydrophobicContact CB-CD1 3.92Å; P185-L209 HydrophobicContact CB-CD2 3.99Å; L189-L209 HydrophobicContact CD1-CD1 3.89Å; L189-L209 HydrophobicContact CD2-CD1 4.09Å; L189-L209 HydrophobicContact CG-CD1 4.21Å; I207-L209 HydrophobicContact CD1-CD2 3.87Å; I207-L209 HydrophobicContact CG1-CD2 4.07Å
210G96.8Very high97.3Very high8 Ų824 Ų248%0.08215%0.149CC..SBendtrans159-165.9174.100000114.8V44 K179 S212V44-G210 VanDerWaalsContact CG1-CA 3.44Å; K179-G210 WeakPolarHBondContact CE-O 3.4Å; K179-G210 PolarHBondContact NZ-O 3.23Å; G210-S212 PolarHBondContact O-N 3.13Å
211D94Very high97.2Very high66 Ų6629.1 Ų29.135%0.35317%0.173SC..  trans-73.1123.1-169.1-69.2-27.4000110.5K28 S213 T214 I215K28-D211 VanDerWaalsContact NZ-CG 3.3Å; K28-D211 IonicContact NZ-OD1 3.11Å; K28-D211 PolarHBondContact NZ-OD1 3.19Å; K28-D211 IonicContact NZ-OD2 3.58Å; K28-D211 PolarHBondContact NZ-OD2 3.32Å; K28-D211 VanDerWaalsContact NZ-OD2 3.11Å; D211-S213 PolarHBondContact O-N 2.89Å; D211-S213 VanDerWaalsContact O-N 3.14Å; D211-T214 PolarHBondContact O-N 3.11Å; D211-I215 PolarHBondContact O-N 2.85Å
212S91.1Very high97.2Very high67 Ų6727.5 Ų27.547%0.46916%0.163SC..Hα-helixtrans-59.1-28.8-178.1-570000112.3K179 G210 T214 G216K179-S212 PolarHBondContact NZ-OG 3.18Å; G210-S212 PolarHBondContact O-N 3.13Å; S212-T214 PolarHBondContact O-N 2.95Å; S212-G216 WeakPolarHBondContact O-CA 3.47Å; S212-G216 PolarHBondContact O-N 3.49Å
213S92Very high97.2Very high90 Ų9029.1 Ų29.163%0.62917%0.168SC*.Hα-helixtrans-68.4-19.417650.70000113.9D211 P217D211-S213 PolarHBondContact O-N 2.89Å; D211-S213 VanDerWaalsContact O-N 3.14Å; S213-P217 WeakPolarHBondContact O-CD 3.49Å; S213-P217 WeakPolarHBondContact O-CG 3.37Å
214T95.8Very high97.2Very high47 Ų4732.6 Ų32.629%0.28819%0.186SC..Hα-helixtrans-97.7-50.9175.9-54.20000110.1E47 D211 S212 I218E47-T214 HydrophobicContact CG-CG2 3.83Å; D211-T214 PolarHBondContact O-N 3.11Å; S212-T214 PolarHBondContact O-N 2.95Å; T214-I218 HydrophobicContact CG2-CD1 4.25Å; T214-I218 WeakPolarHBondContact O-CD1 3.41Å; T214-I218 WeakPolarHBondContact O-CG1 3.24Å
215I97.8Very high97.1Very high0 Ų032.6 Ų32.60%019%0.186CC..Hα-helixtrans-71.5-42.5-173.5-55.4175000111.8V50 K179 V208 D211 I218 L219V50-I215 HydrophobicContact CG1-CG2 4.33Å; V50-I215 HydrophobicContact CG2-CB 4.09Å; V50-I215 HydrophobicContact CG2-CD1 4.46Å; V50-I215 HydrophobicContact CG2-CG1 3.66Å; V50-I215 HydrophobicContact CG2-CG2 3.89Å; K179-I215 HydrophobicContact CB-CG2 4.12Å; K179-I215 HydrophobicContact CG-CB 4.12Å; K179-I215 HydrophobicContact CG-CD1 3.69Å; K179-I215 HydrophobicContact CG-CG1 4.5Å; K179-I215 HydrophobicContact CG-CG2 3.79Å; V208-I215 HydrophobicContact CB-CD1 4.38Å; V208-I215 HydrophobicContact CG1-CD1 3.85Å; D211-I215 PolarHBondContact O-N 2.85Å; I215-I218 PolarHBondContact O-N 3.35Å; I215-L219 HydrophobicContact CG2-CD1 3.71Å; I215-L219 HydrophobicContact CG2-CG 4.02Å; I215-L219 WeakPolarHBondContact O-CG 3.23Å; I215-L219 PolarHBondContact O-N 2.93Å
216G96.8Very high97.1Very high4 Ų436.1 Ų36.14%0.04120%0.202CC..Hα-helixtrans-57.8-52.5-175.400000113.7S212 L219 S220S212-G216 WeakPolarHBondContact O-CA 3.47Å; S212-G216 PolarHBondContact O-N 3.49Å; G216-L219 PolarHBondContact O-N 3.42Å; G216-S220 VanDerWaalsContact O-CB 3.3Å; G216-S220 WeakPolarHBondContact O-CB 3.3Å; G216-S220 PolarHBondContact O-N 3.49Å; G216-S220 PolarHBondContact O-OG 3.19Å
217P97.4Very high97.1Very high25 Ų2536.1 Ų36.116%0.16220%0.202CC..Hα-helixtrans-58.4-47.5175.5-24.533.2000113S213 L219 S220 E221S213-P217 WeakPolarHBondContact O-CD 3.49Å; S213-P217 WeakPolarHBondContact O-CG 3.37Å; P217-L219 VanDerWaalsContact C-N 3.34Å; P217-L219 PolarHBondContact O-N 3.06Å; P217-S220 CarbonylContact O-C 3.56Å; P217-S220 PolarHBondContact O-N 3.39Å; P217-E221 VanDerWaalsContact O-CB 3.29Å; P217-E221 WeakPolarHBondContact O-CB 3.45Å; P217-E221 VanDerWaalsContact O-CG 3.28Å; P217-E221 WeakPolarHBondContact O-CG 3.33Å; P217-E221 PolarHBondContact O-N 2.83Å
218I98.5Very high97.1Very high24 Ų2436.1 Ų36.112%0.12320%0.202CC..Hα-helixtrans-60.2-44.1-177.8-64170.7000111.3E47 V50 I54 T214 I215 S222E47-I218 HydrophobicContact CB-CD1 3.83Å; E47-I218 HydrophobicContact CG-CD1 3.77Å; V50-I218 HydrophobicContact CB-CD1 4.43Å; V50-I218 HydrophobicContact CB-CG2 4.22Å; V50-I218 HydrophobicContact CG1-CB 3.93Å; V50-I218 HydrophobicContact CG1-CG2 3.48Å; V50-I218 VanDerWaalsContact CG1-CG2 3.48Å; I54-I218 HydrophobicContact CD1-CG2 3.92Å; T214-I218 HydrophobicContact CG2-CD1 4.25Å; T214-I218 WeakPolarHBondContact O-CD1 3.41Å; T214-I218 WeakPolarHBondContact O-CG1 3.24Å; I215-I218 PolarHBondContact O-N 3.35Å; I218-S222 VanDerWaalsContact O-CB 3.28Å; I218-S222 WeakPolarHBondContact O-CB 3.47Å; I218-S222 PolarHBondContact O-N 2.83Å; I218-S222 VanDerWaalsContact O-N 3.1Å
219L98.5Very high97.1Very high0 Ų036.1 Ų36.10%020%0.202CC..Hα-helixtrans-64.3-41.3175.1-66.7179.3000111.7V50 I54 I152 I177 I215 G216 P217 V225 I228V50-L219 HydrophobicContact CG1-CD2 4.01Å; V50-L219 HydrophobicContact CG1-CG 4.3Å; I54-L219 HydrophobicContact CD1-CD2 4.2Å; I54-L219 HydrophobicContact CG1-CD2 4.13Å; I152-L219 HydrophobicContact CG1-CD1 4.45Å; I177-L219 HydrophobicContact CB-CD2 4.21Å; I177-L219 HydrophobicContact CD1-CD2 3.88Å; I177-L219 HydrophobicContact CG2-CD2 3.98Å; I215-L219 HydrophobicContact CG2-CD1 3.71Å; I215-L219 HydrophobicContact CG2-CG 4.02Å; I215-L219 WeakPolarHBondContact O-CG 3.23Å; I215-L219 PolarHBondContact O-N 2.93Å; G216-L219 PolarHBondContact O-N 3.42Å; P217-L219 VanDerWaalsContact C-N 3.34Å; P217-L219 PolarHBondContact O-N 3.06Å; L219-V225 HydrophobicContact CD2-CG2 4.32Å; L219-V225 WeakPolarHBondContact O-CB 3.28Å; L219-I228 HydrophobicContact CB-CD1 3.84Å
220S97.2Very high97.1Very high0 Ų036.2 Ų36.20%020%0.203CC..Hα-helixtrans-72.9-32.1-176.2-560000113G216 P217 K249G216-S220 VanDerWaalsContact O-CB 3.3Å; G216-S220 WeakPolarHBondContact O-CB 3.3Å; G216-S220 PolarHBondContact O-N 3.49Å; G216-S220 PolarHBondContact O-OG 3.19Å; P217-S220 CarbonylContact O-C 3.56Å; P217-S220 PolarHBondContact O-N 3.39Å; S220-K249 PolarHBondContact O-NZ 3.04Å
221E97.1Very high97.2Very high120 Ų12036.3 Ų36.356%0.56120%0.202SC*.Hα-helixtrans-91.8-18.4-176.9-67.6169.5-164.300112.8P217 E223P217-E221 VanDerWaalsContact O-CB 3.29Å; P217-E221 WeakPolarHBondContact O-CB 3.45Å; P217-E221 VanDerWaalsContact O-CG 3.28Å; P217-E221 WeakPolarHBondContact O-CG 3.33Å; P217-E221 PolarHBondContact O-N 2.83Å; E221-E223 PolarHBondContact O-N 3.2Å
222S98.3Very high97.3Very high22 Ų2234.1 Ų34.115%0.15420%0.195CC..  trans-63.8132.2177.7176.90000112I218 D224 V225 K249I218-S222 VanDerWaalsContact O-CB 3.28Å; I218-S222 WeakPolarHBondContact O-CB 3.47Å; I218-S222 PolarHBondContact O-N 2.83Å; I218-S222 VanDerWaalsContact O-N 3.1Å; S222-D224 VanDerWaalsContact C-N 3.32Å; S222-D224 PolarHBondContact OG-N 3.21Å; S222-D224 VanDerWaalsContact OG-N 3.16Å; S222-V225 PolarHBondContact OG-N 3.26Å; S222-K249 PolarHBondContact O-NZ 3.22Å
223E97.8Very high97.6Very high127 Ų12734 Ų3459%0.59319%0.194SC*.SBendtrans-75.1-20.8170.7-68.2-69.9177.700112.5E221 Q226E221-E223 PolarHBondContact O-N 3.2Å; E223-Q226 PolarHBondContact O-NE2 2.74Å
224D98.5Very high97.9Very high74 Ų7430.5 Ų30.540%0.39617%0.169SC..SBendtrans-75.7-33.3176.5-68.3-47.8000111.2I54 N58 V148 S222 Q226I54-D224 HydrophobicContact CG2-CB 3.71Å; N58-D224 PolarHBondContact ND2-OD1 3.18Å; V148-D224 WeakPolarHBondContact CB-O 3.35Å; S222-D224 VanDerWaalsContact C-N 3.32Å; S222-D224 PolarHBondContact OG-N 3.21Å; S222-D224 VanDerWaalsContact OG-N 3.16Å; D224-Q226 PolarHBondContact O-N 3.45Å
225V98.7Very high97.9Very high0 Ų030.5 Ų30.50%018%0.178CC..EExtended strand (participates in β ladder)trans-73123.5171.2-179.10000108.5I54 V148 I177 L219 S222 K227 I228 K249I54-V225 HydrophobicContact CD1-CG2 4.4Å; I54-V225 HydrophobicContact CG1-CG2 4.17Å; V148-V225 HydrophobicContact CG1-CG2 4.19Å; I177-V225 HydrophobicContact CD1-CG2 4.21Å; L219-V225 HydrophobicContact CD2-CG2 4.32Å; L219-V225 WeakPolarHBondContact O-CB 3.28Å; S222-V225 PolarHBondContact OG-N 3.26Å; V225-K227 WeakPolarHBondContact CG1-O 3.43Å; V225-I228 HydrophobicContact CG1-CD1 3.85Å; V225-K249 WeakPolarHBondContact O-CE 3.38Å; V225-K249 PolarHBondContact O-NZ 3.25Å
226Q98.4Very high97.9Very high77 Ų7733.6 Ų33.636%0.3620%0.197SC..EExtended strand (participates in β ladder)trans-108.9-9.7-176.2-67.4-66.4-5800113V146 V148 E223 D224 K249 N250V146-Q226 VanDerWaalsContact O-CB 3.28Å; V146-Q226 WeakPolarHBondContact O-CB 3.01Å; V148-Q226 PolarHBondContact O-N 3.04Å; E223-Q226 PolarHBondContact O-NE2 2.74Å; D224-Q226 PolarHBondContact O-N 3.45Å; Q226-K249 WeakPolarHBondContact O-CB 3.43Å; Q226-N250 PolarHBondContact O-N 3.46Å
227K98.7Very high97.9Very high0 Ų033.4 Ų33.40%020%0.195CC..EExtended strand (participates in β ladder)trans-147.1140.8171.1178.5176.7176.277.20112.5V146 V148 V149 G150 V225 N250 S252 E473 Y474V146-K227 HydrophobicContact CG2-CB 4Å; V146-K227 HydrophobicContact CG2-CD 4.31Å; V148-K227 PolarHBondContact O-N 2.97Å; V149-K227 CarbonylContact C-O 3.5Å; V149-K227 WeakPolarHBondContact CA-O 3.04Å; V149-K227 HydrophobicContact CG2-CB 4.25Å; G150-K227 PolarHBondContact N-O 3.23Å; V225-K227 WeakPolarHBondContact CG1-O 3.43Å; K227-N250 CarbonylContact C-O 3.49Å; K227-N250 WeakPolarHBondContact CA-O 3.42Å; K227-N250 HydrophobicContact CB-CB 4.36Å; K227-N250 HydrophobicContact CG-CB 4.28Å; K227-N250 WeakPolarHBondContact CG-O 3.41Å; K227-S252 WeakPolarHBondContact CE-OG 3.27Å; K227-S252 PolarHBondContact NZ-OG 2.82Å; K227-S252 VanDerWaalsContact NZ-OG 3.11Å; K227-E473 VanDerWaalsContact CD-O 3.31Å; K227-E473 WeakPolarHBondContact CD-O 3.41Å; K227-E473 WeakPolarHBondContact CE-O 3.23Å; K227-E473 PolarHBondContact NZ-O 3.25Å; K227-E473 IonicContact NZ-OE2 3.69Å; K227-E473 PolarHBondContact NZ-OE2 3.47Å; K227-E473 VanDerWaalsContact NZ-OE2 3.11Å; K227-Y474 HydrophobicContact CD-CD1 3.64Å; K227-Y474 HydrophobicContact CD-CE1 3.75Å; K227-Y474 HydrophobicContact CD-CG 4.36Å; K227-Y474 VanDerWaalsContact CE-CE1 3.48Å
228I98.6Very high97.9Very high0 Ų036.7 Ų36.70%021%0.208CC..EExtended strand (participates in β ladder)trans-108.6128.7162.4-63.2-61.1000109.4G150 L219 V225 K249 N250 V251 S252G150-I228 WeakPolarHBondContact O-CA 3.31Å; L219-I228 HydrophobicContact CB-CD1 3.84Å; V225-I228 HydrophobicContact CG1-CD1 3.85Å; I228-K249 HydrophobicContact CG1-CD 3.74Å; I228-N250 PolarHBondContact N-O 3.08Å; I228-V251 HydrophobicContact CB-CG1 4.13Å; I228-V251 CarbonylContact O-C 3.37Å; I228-V251 WeakPolarHBondContact O-CA 3.47Å; I228-S252 PolarHBondContact O-N 2.85Å
229T98.7Very high97.8Very high0 Ų041 Ų410%023%0.226CC..EExtended strand (participates in β ladder)trans-120.4123.9169.3174.60000109.1V149 G150 A151 I152 K165 S252 Y474V149-T229 HydrophobicContact CG1-CG2 3.75Å; G150-T229 PolarHBondContact O-N 2.93Å; A151-T229 WeakPolarHBondContact CA-O 3.44Å; A151-T229 HydrophobicContact CB-CG2 3.86Å; I152-T229 PolarHBondContact N-O 3.5Å; K165-T229 HydrophobicContact CB-CG2 4.15Å; K165-T229 HydrophobicContact CD-CG2 3.92Å; K165-T229 HydrophobicContact CG-CG2 4.14Å; K165-T229 PolarHBondContact NZ-OG1 2.84Å; T229-S252 WeakPolarHBondContact CA-O 3.46Å; T229-S252 VanDerWaalsContact CB-OG 3.3Å; T229-S252 WeakPolarHBondContact CB-OG 3.19Å; T229-S252 PolarHBondContact OG1-OG 2.62Å; T229-Y474 HydrophobicContact CG2-CE1 4.27Å
230F98.4Very high97.7Very high10 Ų1041.4 Ų41.44%0.04423%0.228CC..EExtended strand (participates in β ladder)trans-129136.1-174.5171.2-111.6000110.9I152 G232 V236 G237 L240 S252 M253 E254 L255I152-F230 HydrophobicContact CB-CD2 3.77Å; I152-F230 HydrophobicContact CG2-CD2 3.61Å; I152-F230 HydrophobicContact CG2-CE2 3.91Å; I152-F230 WeakPolarHBondContact O-CA 3.43Å; F230-G232 VanDerWaalsContact CZ-CA 3.43Å; F230-V236 HydrophobicContact CE1-CB 4.11Å; F230-V236 HydrophobicContact CE1-CG1 4.02Å; F230-V236 HydrophobicContact CE2-CG1 3.88Å; F230-V236 HydrophobicContact CZ-CB 3.73Å; F230-V236 HydrophobicContact CZ-CG1 3.42Å; F230-V236 VanDerWaalsContact CZ-CG1 3.42Å; F230-G237 VanDerWaalsContact CE1-N 3.33Å; F230-L240 HydrophobicContact CB-CD1 3.84Å; F230-L240 HydrophobicContact CD1-CD1 3.92Å; F230-L240 HydrophobicContact CD2-CD1 3.56Å; F230-L240 HydrophobicContact CE1-CD1 4.37Å; F230-L240 HydrophobicContact CE2-CD1 4.02Å; F230-L240 HydrophobicContact CG-CD1 3.48Å; F230-L240 VanDerWaalsContact CG-CD1 3.48Å; F230-L240 HydrophobicContact CZ-CD1 4.39Å; F230-S252 PolarHBondContact N-O 3.07Å; F230-M253 HydrophobicContact CB-SD 3.78Å; F230-M253 HydrophobicContact CD1-SD 4.09Å; F230-M253 HydrophobicContact CG-SD 4.43Å; F230-E254 PolarHBondContact O-N 3.23Å; F230-L255 HydrophobicContact CD1-CD2 3.56Å; F230-L255 HydrophobicContact CE1-CD2 3.58Å
231T98.6Very high97.7Very high10 Ų1044.5 Ų44.56%0.06125%0.245CC..EExtended strand (participates in β ladder)trans-121.1130163.3-55.70000108.9I152 P154 M161 K165 E254 E465I152-T231 PolarHBondContact O-N 3.48Å; P154-T231 VanDerWaalsContact CD-O 3.26Å; P154-T231 WeakPolarHBondContact CD-O 3.49Å; P154-T231 HydrophobicContact CG-CG2 3.86Å; M161-T231 HydrophobicContact SD-CG2 3.93Å; K165-T231 WeakPolarHBondContact CE-OG1 3.39Å; K165-T231 PolarHBondContact NZ-OG1 3.35Å; T231-E254 WeakPolarHBondContact CA-O 3.36Å; T231-E254 HydrophobicContact CG2-CB 3.98Å; T231-E254 WeakPolarHBondContact CG2-O 3.3Å; T231-E254 WeakPolarHBondContact OG1-CB 3.41Å; T231-E465 PolarHBondContact OG1-OE1 3.4Å
232G97.3Very high97.7Very high20 Ų2045.7 Ų45.721%0.20625%0.25CS..SBendtrans161-151.6179.600000113F230 E254 L255 G256F230-G232 VanDerWaalsContact CZ-CA 3.43Å; G232-E254 PolarHBondContact N-O 3.4Å; G232-E254 VanDerWaalsContact N-O 3.12Å; G232-L255 CarbonylContact O-C 3.55Å; G232-L255 VanDerWaalsContact O-CA 3.27Å; G232-L255 WeakPolarHBondContact O-CA 3.43Å; G232-G256 PolarHBondContact O-N 3.3Å
233S96.7Very high97.7Very high65 Ų6546.3 Ų46.346%0.45525%0.251SS..  trans-72.5148-174.967.40000112.8G235 V236 G237S233-G235 VanDerWaalsContact C-N 3.34Å; S233-G235 PolarHBondContact O-N 3.44Å; S233-V236 PolarHBondContact O-N 2.98Å; S233-V236 VanDerWaalsContact O-N 3.16Å; S233-V236 VanDerWaalsContact OG-CG2 3.3Å; S233-V236 WeakPolarHBondContact OG-CG2 3.29Å; S233-G237 PolarHBondContact O-N 3.41Å
234T97.5Very high97.6Very high16 Ų1640.3 Ų40.310%0.09822%0.223CC..Hα-helixtrans-54.4-46.8179.6-66.60000112.8V236 G237 Q238 H459T234-V236 VanDerWaalsContact C-N 3.33Å; T234-V236 PolarHBondContact O-N 3.31Å; T234-G237 PolarHBondContact O-N 3.36Å; T234-Q238 HydrophobicContact CG2-CG 4.39Å; T234-Q238 WeakPolarHBondContact O-CG 3.49Å; T234-Q238 PolarHBondContact O-N 2.86Å; T234-H459 HydrophobicContact CG2-CB 3.92Å; T234-H459 WeakPolarHBondContact CG2-O 3.49Å; T234-H459 PolarHBondContact OG1-O 2.88Å; T234-H459 VanDerWaalsContact OG1-O 3.04Å
235G96.8Very high97.6Very high47 Ų4739.3 Ų39.349%0.48523%0.225SC..Hα-helixtrans-62.4-36.7-179.900000113.7S233 K239S233-G235 VanDerWaalsContact C-N 3.34Å; S233-G235 PolarHBondContact O-N 3.44Å; G235-K239 PolarHBondContact O-N 3.28Å
236V96.7Very high97.5Very high64 Ų6444.5 Ų44.539%0.38826%0.259SS..Hα-helixtrans-72-40175.51750000110.8F230 S233 T234 Q238 K239 L240F230-V236 HydrophobicContact CE1-CB 4.11Å; F230-V236 HydrophobicContact CE1-CG1 4.02Å; F230-V236 HydrophobicContact CE2-CG1 3.88Å; F230-V236 HydrophobicContact CZ-CB 3.73Å; F230-V236 HydrophobicContact CZ-CG1 3.42Å; F230-V236 VanDerWaalsContact CZ-CG1 3.42Å; S233-V236 PolarHBondContact O-N 2.98Å; S233-V236 VanDerWaalsContact O-N 3.16Å; S233-V236 VanDerWaalsContact OG-CG2 3.3Å; S233-V236 WeakPolarHBondContact OG-CG2 3.29Å; T234-V236 VanDerWaalsContact C-N 3.33Å; T234-V236 PolarHBondContact O-N 3.31Å; V236-Q238 PolarHBondContact O-N 3.16Å; V236-K239 PolarHBondContact O-N 3.19Å; V236-L240 HydrophobicContact CG1-CD1 3.98Å; V236-L240 HydrophobicContact CG1-CG 4.33Å; V236-L240 WeakPolarHBondContact O-CG 3.5Å; V236-L240 PolarHBondContact O-N 3.39Å
237G97.6Very high97.4Very high1 Ų142.1 Ų42.11%0.0125%0.249CC..Hα-helixtrans-61.5-43.2176.500000112.8F230 S233 T234 K239 L240 N241F230-G237 VanDerWaalsContact CE1-N 3.33Å; S233-G237 PolarHBondContact O-N 3.41Å; T234-G237 PolarHBondContact O-N 3.36Å; G237-K239 VanDerWaalsContact C-N 3.34Å; G237-K239 PolarHBondContact O-N 3.28Å; G237-L240 PolarHBondContact O-N 3.44Å; G237-N241 WeakPolarHBondContact O-CB 3.37Å; G237-N241 PolarHBondContact O-N 3.05Å
238Q97.3Very high97.2Very high94 Ų9449.6 Ų49.644%0.43929%0.288SS..Hα-helixtrans-59.2-45.1173.9-73.3171.9-20.100111.5T234 V236 N241 E242T234-Q238 HydrophobicContact CG2-CG 4.39Å; T234-Q238 WeakPolarHBondContact O-CG 3.49Å; T234-Q238 PolarHBondContact O-N 2.86Å; V236-Q238 PolarHBondContact O-N 3.16Å; Q238-N241 WeakPolarHBondContact O-CB 3.35Å; Q238-N241 PolarHBondContact O-N 3.4Å; Q238-E242 PolarHBondContact O-N 3.28Å
239K97.2Very high97.1Very high115 Ų11550.4 Ų50.450%0.529%0.292SS..Hα-helixtrans-63.3-44.4176.9-176176.4-179.8178.60112.6G235 V236 G237 N241 E242 Q243G235-K239 PolarHBondContact O-N 3.28Å; V236-K239 PolarHBondContact O-N 3.19Å; G237-K239 VanDerWaalsContact C-N 3.34Å; G237-K239 PolarHBondContact O-N 3.28Å; K239-N241 VanDerWaalsContact C-N 3.3Å; K239-N241 PolarHBondContact O-N 3.04Å; K239-E242 WeakPolarHBondContact O-CB 3.33Å; K239-E242 PolarHBondContact O-N 3.23Å; K239-Q243 WeakPolarHBondContact O-CB 3.12Å; K239-Q243 VanDerWaalsContact O-CG 3.25Å; K239-Q243 WeakPolarHBondContact O-CG 3.37Å; K239-Q243 PolarHBondContact O-N 3.06Å
240L96.6Very high96.9Very high8 Ų853.7 Ų53.74%0.04231%0.31CS..Hα-helixtrans-64.4-37.4176.8-73.7170.3000111.6I152 F230 V236 G237 Q243 A244 M253I152-L240 HydrophobicContact CD1-CD1 3.93Å; I152-L240 HydrophobicContact CD1-CD2 3.94Å; F230-L240 HydrophobicContact CB-CD1 3.84Å; F230-L240 HydrophobicContact CD1-CD1 3.92Å; F230-L240 HydrophobicContact CD2-CD1 3.56Å; F230-L240 HydrophobicContact CE1-CD1 4.37Å; F230-L240 HydrophobicContact CE2-CD1 4.02Å; F230-L240 HydrophobicContact CG-CD1 3.48Å; F230-L240 VanDerWaalsContact CG-CD1 3.48Å; F230-L240 HydrophobicContact CZ-CD1 4.39Å; V236-L240 HydrophobicContact CG1-CD1 3.98Å; V236-L240 HydrophobicContact CG1-CG 4.33Å; V236-L240 WeakPolarHBondContact O-CG 3.5Å; V236-L240 PolarHBondContact O-N 3.39Å; G237-L240 PolarHBondContact O-N 3.44Å; L240-Q243 PolarHBondContact O-N 2.92Å; L240-A244 WeakPolarHBondContact O-CB 3.37Å; L240-A244 PolarHBondContact O-N 2.9Å; L240-M253 HydrophobicContact CB-CE 4.02Å
241N96.6Very high96.9Very high65 Ų6554.1 Ų54.135%0.34831%0.313SS..Hα-helixtrans-63.2-44.7174.9-175.451.8000111.4G237 Q238 K239 Q243 A244 A245 V251 M253G237-N241 WeakPolarHBondContact O-CB 3.37Å; G237-N241 PolarHBondContact O-N 3.05Å; Q238-N241 WeakPolarHBondContact O-CB 3.35Å; Q238-N241 PolarHBondContact O-N 3.4Å; K239-N241 VanDerWaalsContact C-N 3.3Å; K239-N241 PolarHBondContact O-N 3.04Å; N241-Q243 PolarHBondContact O-N 3.23Å; N241-A244 PolarHBondContact O-N 2.88Å; N241-A245 PolarHBondContact O-N 2.79Å; N241-A245 VanDerWaalsContact O-N 3.13Å; N241-V251 WeakPolarHBondContact OD1-CG2 3.39Å; N241-M253 HydrophobicContact CB-CE 3.85Å
242E97.5Very high96.9Very high144 Ų14453.9 Ų53.967%0.67331%0.312SS*.Hα-helixtrans-58.9-45.9173.7-177.3-174.8178.800111.5Q238 K239 A244 A245 P246Q238-E242 PolarHBondContact O-N 3.28Å; K239-E242 WeakPolarHBondContact O-CB 3.33Å; K239-E242 PolarHBondContact O-N 3.23Å; E242-A244 VanDerWaalsContact C-N 3.31Å; E242-A244 PolarHBondContact O-N 2.94Å; E242-A245 WeakPolarHBondContact O-CB 3.47Å; E242-A245 PolarHBondContact O-N 3.41Å; E242-P246 WeakPolarHBondContact O-CD 3.5Å
243Q97Very high96.9Very high35 Ų3553 Ų5316%0.16430%0.302CS..Hα-helixtrans-67.3-29.9-179.5-71.3174-25.600113.3K239 L240 N241 P246K239-Q243 WeakPolarHBondContact O-CB 3.12Å; K239-Q243 VanDerWaalsContact O-CG 3.25Å; K239-Q243 WeakPolarHBondContact O-CG 3.37Å; K239-Q243 PolarHBondContact O-N 3.06Å; L240-Q243 PolarHBondContact O-N 2.92Å; N241-Q243 PolarHBondContact O-N 3.23Å; Q243-P246 WeakPolarHBondContact O-CD 3.43Å
244A96.7Very high97Very high1 Ų150.2 Ų50.21%0.00828%0.282CS..Hα-helixtrans-79.4-25.117700000113L240 N241 E242 P246 T247 K249 V251L240-A244 WeakPolarHBondContact O-CB 3.37Å; L240-A244 PolarHBondContact O-N 2.9Å; N241-A244 PolarHBondContact O-N 2.88Å; E242-A244 VanDerWaalsContact C-N 3.31Å; E242-A244 PolarHBondContact O-N 2.94Å; A244-P246 VanDerWaalsContact C-CD 3.45Å; A244-T247 PolarHBondContact O-N 3.09Å; A244-T247 PolarHBondContact O-OG1 3.31Å; A244-K249 HydrophobicContact CB-CD 3.96Å; A244-K249 HydrophobicContact CB-CG 3.84Å; A244-V251 HydrophobicContact CB-CG1 3.59Å
245A97.3Very high97Very high54 Ų5449.9 Ų49.945%0.44628%0.279SS..G310 helixtrans-55.1-40.4-173.200000115.2N241 E242 T247 L248N241-A245 PolarHBondContact O-N 2.79Å; N241-A245 VanDerWaalsContact O-N 3.13Å; E242-A245 WeakPolarHBondContact O-CB 3.47Å; E242-A245 PolarHBondContact O-N 3.41Å; A245-T247 PolarHBondContact O-N 3.04Å; A245-T247 VanDerWaalsContact O-N 3.16Å; A245-L248 WeakPolarHBondContact O-CD2 3.45Å; A245-L248 PolarHBondContact O-N 3.33Å
246P97.2Very high97Very high109 Ų10947.8 Ų47.871%0.70826%0.258SS*.G310 helixtrans-58-30-179.6-27.936.9000114.7E242 Q243 A244E242-P246 WeakPolarHBondContact O-CD 3.5Å; Q243-P246 WeakPolarHBondContact O-CD 3.43Å; A244-P246 VanDerWaalsContact C-CD 3.45Å
247T96.7Very high97Very high26 Ų2644.8 Ų44.816%0.1624%0.24CC..G310 helixtrans-94.2-6.2-179.462.80000113.5A244 A245 K249A244-T247 PolarHBondContact O-N 3.09Å; A244-T247 PolarHBondContact O-OG1 3.31Å; A245-T247 PolarHBondContact O-N 3.04Å; A245-T247 VanDerWaalsContact O-N 3.16Å; T247-K249 PolarHBondContact O-N 2.9Å; T247-K249 WeakPolarHBondContact OG1-CG 3.32Å; T247-K249 PolarHBondContact OG1-NZ 2.78Å
248L95.2Very high97Very high157 Ų15744.8 Ų44.882%0.82224%0.24SC*.THydrogen-bonded Turntrans5127.8-175.9-59.8175.9000114.3A245A245-L248 WeakPolarHBondContact O-CD2 3.45Å; A245-L248 PolarHBondContact O-N 3.33Å
249K96Very high97.1Very high18 Ų1840.4 Ų40.48%0.07822%0.22CC..  trans-66.2154.5174.162.517346.171.20111S220 S222 V225 Q226 I228 A244 T247 V251S220-K249 PolarHBondContact O-NZ 3.04Å; S222-K249 PolarHBondContact O-NZ 3.22Å; V225-K249 WeakPolarHBondContact O-CE 3.38Å; V225-K249 PolarHBondContact O-NZ 3.25Å; Q226-K249 WeakPolarHBondContact O-CB 3.43Å; I228-K249 HydrophobicContact CG1-CD 3.74Å; A244-K249 HydrophobicContact CB-CD 3.96Å; A244-K249 HydrophobicContact CB-CG 3.84Å; T247-K249 PolarHBondContact O-N 2.9Å; T247-K249 WeakPolarHBondContact OG1-CG 3.32Å; T247-K249 PolarHBondContact OG1-NZ 2.78Å; K249-V251 HydrophobicContact CG-CG1 4.38Å
250N94.5Very high97.2Very high69 Ų6934.9 Ų34.937%0.36920%0.196SC..EExtended strand (participates in β ladder)trans-66.8141.8175-73-23000109.9Q226 K227 I228Q226-N250 PolarHBondContact O-N 3.46Å; K227-N250 CarbonylContact C-O 3.49Å; K227-N250 WeakPolarHBondContact CA-O 3.42Å; K227-N250 HydrophobicContact CB-CB 4.36Å; K227-N250 HydrophobicContact CG-CB 4.28Å; K227-N250 WeakPolarHBondContact CG-O 3.41Å; I228-N250 PolarHBondContact N-O 3.08Å
251V97.7Very high97.3Very high19 Ų1934.5 Ų34.512%0.11519%0.194CC..EExtended strand (participates in β ladder)trans-134.6145.9173.1-52.60000111.7I228 N241 A244 K249 M253 F462I228-V251 HydrophobicContact CB-CG1 4.13Å; I228-V251 CarbonylContact O-C 3.37Å; I228-V251 WeakPolarHBondContact O-CA 3.47Å; N241-V251 WeakPolarHBondContact OD1-CG2 3.39Å; A244-V251 HydrophobicContact CB-CG1 3.59Å; K249-V251 HydrophobicContact CG-CG1 4.38Å; V251-M253 HydrophobicContact CB-CE 3.89Å; V251-M253 HydrophobicContact CG1-CE 4.41Å; V251-M253 HydrophobicContact CG2-CE 4.02Å; V251-F462 HydrophobicContact CG2-CE2 3.52Å; V251-F462 HydrophobicContact CG2-CZ 3.48Å; V251-F462 VanDerWaalsContact CG2-CZ 3.48Å; V251-F462 VanDerWaalsContact O-CE2 3.3Å; V251-F462 WeakPolarHBondContact O-CE2 3.37Å
252S98.2Very high97.4Very high5 Ų531.4 Ų31.44%0.03518%0.177CC..EExtended strand (participates in β ladder)trans-131.3129.3171.7520000109.2K227 I228 T229 F230 F462K227-S252 WeakPolarHBondContact CE-OG 3.27Å; K227-S252 PolarHBondContact NZ-OG 2.82Å; K227-S252 VanDerWaalsContact NZ-OG 3.11Å; I228-S252 PolarHBondContact O-N 2.85Å; T229-S252 WeakPolarHBondContact CA-O 3.46Å; T229-S252 VanDerWaalsContact CB-OG 3.3Å; T229-S252 WeakPolarHBondContact CB-OG 3.19Å; T229-S252 PolarHBondContact OG1-OG 2.62Å; F230-S252 PolarHBondContact N-O 3.07Å; S252-F462 CarbonylContact C-O 3.59Å; S252-F462 WeakPolarHBondContact CA-O 3.43Å
253M98.2Very high97.5Very high1 Ų124.6 Ų24.61%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-125.1110.3-168.8-62-57.9179.800109.5F230 L240 N241 V251 L255 G461 F462F230-M253 HydrophobicContact CB-SD 3.78Å; F230-M253 HydrophobicContact CD1-SD 4.09Å; F230-M253 HydrophobicContact CG-SD 4.43Å; L240-M253 HydrophobicContact CB-CE 4.02Å; N241-M253 HydrophobicContact CB-CE 3.85Å; V251-M253 HydrophobicContact CB-CE 3.89Å; V251-M253 HydrophobicContact CG1-CE 4.41Å; V251-M253 HydrophobicContact CG2-CE 4.02Å; M253-L255 HydrophobicContact CB-CD1 4.02Å; M253-L255 HydrophobicContact CB-CD2 4.04Å; M253-L255 HydrophobicContact CB-CG 3.92Å; M253-G461 CarbonylContact O-C 3.32Å; M253-G461 VanDerWaalsContact O-CA 3.27Å; M253-G461 WeakPolarHBondContact O-CA 3.44Å; M253-F462 HydrophobicContact CB-CE1 4.45Å; M253-F462 HydrophobicContact CG-CE1 4.09Å; M253-F462 HydrophobicContact CG-CZ 4.08Å; M253-F462 PolarHBondContact N-O 3.08Å; M253-F462 PolarHBondContact O-N 3.34Å
254E98.3Very high97.6Very high6 Ų623.3 Ų23.33%0.02814%0.139CC..EExtended strand (participates in β ladder)trans-104.494.5173.9-74.4-62124.200108.9F230 T231 G232 F454 G455 E465F230-E254 PolarHBondContact O-N 3.23Å; T231-E254 WeakPolarHBondContact CA-O 3.36Å; T231-E254 HydrophobicContact CG2-CB 3.98Å; T231-E254 WeakPolarHBondContact CG2-O 3.3Å; T231-E254 WeakPolarHBondContact OG1-CB 3.41Å; G232-E254 PolarHBondContact N-O 3.4Å; G232-E254 VanDerWaalsContact N-O 3.12Å; E254-F454 WeakPolarHBondContact OE2-CD1 3.39Å; E254-F454 WeakPolarHBondContact OE2-CE1 3.47Å; E254-G455 WeakPolarHBondContact OE1-CA 3.48Å; E254-G455 WeakPolarHBondContact OE2-CA 3.46Å; E254-E465 HydrophobicContact CG-CG 3.9Å
255L98.3Very high97.6Very high9 Ų926 Ų265%0.04716%0.157CC..  trans-105-168.6-165.1-50.3178.4000112.4F230 G232 M253 S460F230-L255 HydrophobicContact CD1-CD2 3.56Å; F230-L255 HydrophobicContact CE1-CD2 3.58Å; G232-L255 CarbonylContact O-C 3.55Å; G232-L255 VanDerWaalsContact O-CA 3.27Å; G232-L255 WeakPolarHBondContact O-CA 3.43Å; M253-L255 HydrophobicContact CB-CD1 4.02Å; M253-L255 HydrophobicContact CB-CD2 4.04Å; M253-L255 HydrophobicContact CB-CG 3.92Å; L255-S460 PolarHBondContact N-O 2.88Å
256G95.7Very high97.7Very high4 Ų425.9 Ų25.94%0.04115%0.149CC..  trans-60.9165.1-177.600000113.3G232 F414 S460G232-G256 PolarHBondContact O-N 3.3Å; G256-F414 WeakPolarHBondContact O-CD1 3.22Å; G256-S460 WeakPolarHBondContact O-CB 3.4Å; G256-S460 PolarHBondContact O-OG 3.44Å
257G97.3Very high97.8Very high1 Ų121.3 Ų21.31%0.0112%0.12CC..  trans-138.5162.317800000112.8C288 E388G257-C288 WeakPolarHBondContact CA-O 3.35Å; G257-E388 PolarHBondContact N-OE1 3.06Å; G257-E388 VanDerWaalsContact N-OE1 3.12Å; G257-E388 VanDerWaalsContact O-CB 3.31Å; G257-E388 WeakPolarHBondContact O-CB 3.42Å; G257-E388 WeakPolarHBondContact O-CG 3.46Å
258H98.2Very high97.9Very high1 Ų124.1 Ų24.11%0.00513%0.134CC..  trans-146.261.6174.8-16051.1000109.5N292 R293 I384 F385 E387 F414H258-N292 VanDerWaalsContact ND1-CB 3.3Å; H258-N292 WeakPolarHBondContact ND1-CB 3.21Å; H258-R293 WeakPolarHBondContact CD2-CD 3.45Å; H258-R293 PolarHBondContact CD2-NE 2.89Å; H258-R293 WeakPolarHBondContact NE2-CD 3.48Å; H258-R293 WeakPolarHBondContact NE2-CG 3.36Å; H258-R293 PolarHBondContact O-NE 3.01Å; H258-R293 PolarHBondContact O-NH2 2.87Å; H258-I384 PolarHBondContact CE1-O 3.48Å; H258-I384 VanDerWaalsContact CE1-O 3.23Å; H258-I384 PolarHBondContact NE2-O 3.06Å; H258-I384 VanDerWaalsContact NE2-O 3.14Å; H258-F385 PolarHBondContact CD2-O 3.35Å; H258-F385 VanDerWaalsContact CD2-O 3.29Å; H258-F385 PolarHBondContact NE2-O 3.25Å; H258-E387 PolarHBondContact CE1-O 3.22Å; H258-F414 HydrophobicContact CB-CB 4.07Å; H258-F414 HydrophobicContact CB-CD2 3.36Å; H258-F414 HydrophobicContact CB-CE2 4.07Å; H258-F414 HydrophobicContact CB-CG 3.92Å
259A98.7Very high98Very high1 Ų117.8 Ų17.81%0.00810%0.101CC..EExtended strand (participates in β ladder)trans-62.1125.5-16200000111.9S290 N292 R293 A417 Y419A259-S290 WeakPolarHBondContact CB-O 3.46Å; A259-N292 PolarHBondContact O-N 3.09Å; A259-R293 PolarHBondContact O-N 3.08Å; A259-R293 VanDerWaalsContact O-N 3.12Å; A259-A417 VanDerWaalsContact CA-O 3.28Å; A259-A417 WeakPolarHBondContact CA-O 3.5Å; A259-A417 HydrophobicContact CB-CB 4.34Å; A259-A417 WeakPolarHBondContact CB-O 3.47Å; A259-Y419 HydrophobicContact CB-CD2 4.24Å; A259-Y419 HydrophobicContact CB-CE2 3.85Å
260P98.9Very high98.1Very high0 Ų022.4 Ų22.40%012%0.123CC..EExtended strand (participates in β ladder)trans-72.2144166.933.3-33.5000109.4I262 R293 F295 A409 Y419 Y437P260-I262 HydrophobicContact CB-CG1 4.46Å; P260-R293 CarbonylContact C-O 3.59Å; P260-R293 WeakPolarHBondContact CA-O 3.47Å; P260-F295 HydrophobicContact CB-CD2 4.07Å; P260-F295 HydrophobicContact CB-CE2 3.78Å; P260-A409 HydrophobicContact CB-CB 3.83Å; P260-A409 HydrophobicContact CG-CB 4.03Å; P260-Y419 PolarHBondContact O-N 2.91Å; P260-Y437 WeakPolarHBondContact CD-OH 3.45Å; P260-Y437 HydrophobicContact CG-CE1 4.2Å; P260-Y437 HydrophobicContact CG-CE2 3.94Å
261Y98.9Very high98.3Very high0 Ų022.8 Ų22.80%012%0.119CC..EExtended strand (participates in β ladder)trans-130.5104.6175.3-168.6-75000108I263 A272 L276 P291 R293 I294 F295 Y419 F421 T445Y261-I263 HydrophobicContact CD1-CD1 4.18Å; Y261-I263 HydrophobicContact CD1-CG1 3.91Å; Y261-I263 HydrophobicContact CE1-CD1 3.87Å; Y261-I263 HydrophobicContact CE1-CG1 3.76Å; Y261-A272 PolarHBondContact OH-O 2.79Å; Y261-L276 HydrophobicContact CD1-CD1 4.33Å; Y261-L276 HydrophobicContact CD2-CD1 4.15Å; Y261-L276 HydrophobicContact CE1-CB 4.04Å; Y261-L276 HydrophobicContact CE2-CB 4.23Å; Y261-L276 HydrophobicContact CE2-CD1 4.32Å; Y261-L276 HydrophobicContact CG-CD1 4.15Å; Y261-L276 PolarHBondContact OH-N 2.93Å; Y261-P291 HydrophobicContact CD2-CB 3.96Å; Y261-P291 HydrophobicContact CD2-CG 3.78Å; Y261-P291 HydrophobicContact CE2-CG 4.36Å; Y261-P291 HydrophobicContact CG-CB 4.33Å; Y261-R293 PolarHBondContact N-O 2.63Å; Y261-I294 HydrophobicContact CD1-CG2 4.43Å; Y261-I294 CarbonylContact O-C 3.49Å; Y261-I294 WeakPolarHBondContact O-CA 3.29Å; Y261-F295 PolarHBondContact O-N 2.9Å; Y261-Y419 CarbonylContact C-O 3.39Å; Y261-Y419 VanDerWaalsContact CA-O 3.31Å; Y261-Y419 WeakPolarHBondContact CA-O 3.42Å; Y261-Y419 AromaticContact CD2-CD2 3.88Å; Y261-Y419 HydrophobicContact CD2-CD2 3.88Å; Y261-Y419 HydrophobicContact CD2-CG 4.04Å; Y261-Y419 HydrophobicContact CE2-CG 4.46Å; Y261-F421 AromaticContact CE1-CD2 3.78Å; Y261-F421 HydrophobicContact CE1-CD2 3.78Å; Y261-F421 AromaticContact CE1-CE2 3.78Å; Y261-F421 HydrophobicContact CE1-CE2 3.78Å; Y261-F421 HydrophobicContact CE2-CD2 4.42Å; Y261-F421 AromaticContact CE2-CE2 3.64Å; Y261-F421 HydrophobicContact CE2-CE2 3.64Å; Y261-F421 HydrophobicContact CE2-CZ 4.32Å; Y261-F421 AromaticContact CZ-CD2 3.68Å; Y261-F421 AromaticContact CZ-CE2 3.16Å; Y261-F421 AromaticContact CZ-CZ 3.8Å; Y261-F421 WeakPolarHBondContact OH-CE2 3.26Å; Y261-F421 WeakPolarHBondContact OH-CZ 3.39Å; Y261-T445 HydrophobicContact CD2-CG2 4.35Å; Y261-T445 HydrophobicContact CE2-CG2 3.63Å
262I99Very high98.4Very high0 Ų021.9 Ų21.90%011%0.113CC..EExtended strand (participates in β ladder)trans-108.4124.6-167.2-49.9168.8000110.1P260 F264 F295 F399 V405 A409 Y419 F420 F421 L435P260-I262 HydrophobicContact CB-CG1 4.46Å; I262-F264 HydrophobicContact CB-CE2 4.33Å; I262-F264 HydrophobicContact CG2-CD2 4.05Å; I262-F264 HydrophobicContact CG2-CE2 3.6Å; I262-F264 HydrophobicContact CG2-CZ 3.91Å; I262-F295 CarbonylContact C-O 3.52Å; I262-F295 WeakPolarHBondContact CA-O 3.48Å; I262-F295 HydrophobicContact CB-CB 4.37Å; I262-F295 HydrophobicContact CG1-CB 4.12Å; I262-F295 HydrophobicContact CG1-CD2 4.09Å; I262-F295 HydrophobicContact CG1-CG 4.42Å; I262-F295 HydrophobicContact CG2-CB 4.23Å; I262-F399 HydrophobicContact CG2-CE1 3.72Å; I262-F399 HydrophobicContact CG2-CZ 3.66Å; I262-V405 HydrophobicContact CD1-CG2 4.22Å; I262-V405 HydrophobicContact CG1-CG2 4.28Å; I262-V405 HydrophobicContact CG2-CG1 4.18Å; I262-V405 HydrophobicContact CG2-CG2 3.91Å; I262-A409 HydrophobicContact CD1-CB 3.99Å; I262-Y419 PolarHBondContact N-O 3.05Å; I262-F420 HydrophobicContact CB-CB 3.82Å; I262-F420 CarbonylContact O-C 3.5Å; I262-F420 WeakPolarHBondContact O-CA 3.3Å; I262-F421 PolarHBondContact O-N 3.46Å; I262-L435 HydrophobicContact CD1-CD2 4.34Å
263I98.9Very high98.4Very high0 Ų022.1 Ų22.10%012%0.115CC..EExtended strand (participates in β ladder)trans-113106.9178.8-49.3176.3000108.5Y261 A267 A272 F295 I296 H297 I300 V304Y261-I263 HydrophobicContact CD1-CD1 4.18Å; Y261-I263 HydrophobicContact CD1-CG1 3.91Å; Y261-I263 HydrophobicContact CE1-CD1 3.87Å; Y261-I263 HydrophobicContact CE1-CG1 3.76Å; I263-A267 HydrophobicContact CG2-CB 3.78Å; I263-A272 HydrophobicContact CD1-CB 4.05Å; I263-A272 HydrophobicContact CG1-CB 4.24Å; I263-A272 HydrophobicContact CG2-CB 4.06Å; I263-F295 PolarHBondContact N-O 2.93Å; I263-I296 HydrophobicContact CD1-CG1 4.41Å; I263-H297 PolarHBondContact O-N 3.09Å; I263-H297 VanDerWaalsContact O-N 3.16Å; I263-I300 HydrophobicContact CB-CD1 4.35Å; I263-I300 HydrophobicContact CG2-CD1 3.61Å; I263-V304 HydrophobicContact CD1-CG1 3.82Å
264F98.9Very high98.4Very high8 Ų826.5 Ų26.54%0.03514%0.135CC..  trans-78.1158.2176.4-74.2-83.3000111.4I262 D266 A267 I300 F399 E402 V405 F420 F421 T427 V431I262-F264 HydrophobicContact CB-CE2 4.33Å; I262-F264 HydrophobicContact CG2-CD2 4.05Å; I262-F264 HydrophobicContact CG2-CE2 3.6Å; I262-F264 HydrophobicContact CG2-CZ 3.91Å; F264-D266 VanDerWaalsContact CB-OD1 3.31Å; F264-D266 WeakPolarHBondContact CB-OD1 3.36Å; F264-D266 PolarHBondContact O-N 3.49Å; F264-D266 VanDerWaalsContact O-N 3.17Å; F264-A267 WeakPolarHBondContact O-CB 3.44Å; F264-A267 PolarHBondContact O-N 2.83Å; F264-I300 WeakPolarHBondContact O-CD1 3.28Å; F264-F399 HydrophobicContact CD1-CE2 4.12Å; F264-F399 HydrophobicContact CD1-CZ 4.04Å; F264-F399 AromaticContact CE1-CE2 3.95Å; F264-F399 HydrophobicContact CE1-CE2 3.95Å; F264-F399 HydrophobicContact CE1-CZ 4.13Å; F264-F399 HydrophobicContact CG-CZ 4.46Å; F264-E402 HydrophobicContact CE1-CB 4.11Å; F264-E402 HydrophobicContact CE1-CG 3.8Å; F264-E402 HydrophobicContact CZ-CG 4.06Å; F264-V405 HydrophobicContact CE1-CG1 4.28Å; F264-V405 HydrophobicContact CZ-CG1 4.08Å; F264-F420 HydrophobicContact CD2-CD2 4.32Å; F264-F420 HydrophobicContact CE2-CB 4.27Å; F264-F420 HydrophobicContact CE2-CD2 4.09Å; F264-F421 WeakPolarHBondContact CB-O 3.41Å; F264-F421 WeakPolarHBondContact CD2-O 3.27Å; F264-F421 PolarHBondContact N-O 3.37Å; F264-F421 VanDerWaalsContact N-O 3.1Å; F264-T427 HydrophobicContact CD1-CG2 3.98Å; F264-T427 HydrophobicContact CD2-CG2 3.92Å; F264-T427 HydrophobicContact CE1-CG2 3.9Å; F264-T427 HydrophobicContact CE2-CG2 3.83Å; F264-T427 HydrophobicContact CG-CG2 4Å; F264-T427 HydrophobicContact CZ-CG2 3.82Å; F264-V431 HydrophobicContact CE2-CG1 4.42Å; F264-V431 HydrophobicContact CE2-CG2 3.86Å; F264-V431 HydrophobicContact CZ-CG2 3.58Å
265P98.4Very high98.4Very high58 Ų5826.3 Ų26.338%0.37713%0.134SC..THydrogen-bonded Turntrans-66.1-18.9-174.626.8-34.8000114H297 I300P265-H297 HydrophobicContact CB-CB 4.49Å; P265-I300 HydrophobicContact CB-CG2 4.43Å
266D98.5Very high98.4Very high52 Ų5225.9 Ų25.928%0.27813%0.132SC..THydrogen-bonded Turntrans-95.86.2177.173.4-48.8000113.2F264 S422 T423 N424F264-D266 VanDerWaalsContact CB-OD1 3.31Å; F264-D266 WeakPolarHBondContact CB-OD1 3.36Å; F264-D266 PolarHBondContact O-N 3.49Å; F264-D266 VanDerWaalsContact O-N 3.17Å; D266-S422 PolarHBondContact OD1-OG 3Å; D266-S422 PolarHBondContact OD2-OG 3.04Å; D266-T423 WeakPolarHBondContact O-CG2 3.08Å; D266-T423 PolarHBondContact O-OG1 3.34Å; D266-T423 PolarHBondContact OD2-N 2.98Å; D266-T423 PolarHBondContact OD2-OG1 3.48Å; D266-N424 VanDerWaalsContact OD2-CB 3.28Å; D266-N424 WeakPolarHBondContact OD2-CB 3.41Å; D266-N424 PolarHBondContact OD2-N 2.71Å
267A98.6Very high98.6Very high12 Ų1226.5 Ų26.510%0.09913%0.134CC..SBendtrans-65.8152.7177.200000112I263 F264 I269 F421I263-A267 HydrophobicContact CG2-CB 3.78Å; F264-A267 WeakPolarHBondContact O-CB 3.44Å; F264-A267 PolarHBondContact O-N 2.83Å; A267-I269 PolarHBondContact O-N 3.3Å; A267-F421 HydrophobicContact CB-CB 3.8Å; A267-F421 WeakPolarHBondContact CB-O 3.2Å
268D98.5Very high98.5Very high86 Ų8632.1 Ų32.146%0.4616%0.16SC..  trans-69.2100.7158.6-175.9-26.3000108.6E270 R271 A272D268-E270 VanDerWaalsContact C-N 3.31Å; D268-E270 PolarHBondContact O-N 3.41Å; D268-E270 PolarHBondContact OD1-N 3.28Å; D268-E270 VanDerWaalsContact OD1-N 3.13Å; D268-R271 HydrophobicContact CB-CB 3.92Å; D268-R271 VanDerWaalsContact CG-CB 3.49Å; D268-R271 PolarHBondContact O-N 3.48Å; D268-R271 PolarHBondContact OD1-N 2.88Å; D268-A272 VanDerWaalsContact O-CB 3.3Å; D268-A272 WeakPolarHBondContact O-CB 3.24Å; D268-A272 PolarHBondContact O-N 2.81Å
269I98.6Very high98.5Very high24 Ų2432.8 Ų32.812%0.12316%0.164CC..Hα-helixtrans-62.3-38.7-176.4-69175.7000111.4A267 A272 V273 I300 V304A267-I269 PolarHBondContact O-N 3.3Å; I269-A272 PolarHBondContact O-N 3.38Å; I269-V273 HydrophobicContact CG2-CG2 4.36Å; I269-V273 VanDerWaalsContact O-CG2 3.32Å; I269-V273 WeakPolarHBondContact O-CG2 3.15Å; I269-V273 PolarHBondContact O-N 2.68Å; I269-I300 HydrophobicContact CD1-CB 4.17Å; I269-I300 HydrophobicContact CD1-CG2 3.99Å; I269-V304 HydrophobicContact CD1-CG2 4.45Å; I269-V304 HydrophobicContact CG1-CG2 4.32Å; I269-V304 HydrophobicContact CG2-CG2 4Å
270E98.3Very high98.5Very high115 Ų11532.7 Ų32.754%0.53716%0.164SC..Hα-helixtrans-64.3-53.1-179.2-177.7171.3-175.500109.6D268 A272 V273 E274D268-E270 VanDerWaalsContact C-N 3.31Å; D268-E270 PolarHBondContact O-N 3.41Å; D268-E270 PolarHBondContact OD1-N 3.28Å; D268-E270 VanDerWaalsContact OD1-N 3.13Å; E270-A272 VanDerWaalsContact C-N 3.33Å; E270-A272 PolarHBondContact O-N 2.82Å; E270-V273 PolarHBondContact O-N 2.99Å; E270-E274 WeakPolarHBondContact O-CB 3.14Å; E270-E274 WeakPolarHBondContact O-CG 3.45Å; E270-E274 PolarHBondContact O-N 3.14Å
271R98.5Very high98.5Very high77 Ų7732.9 Ų32.929%0.29116%0.164SC..Hα-helixtrans-59.1-42.6176.8178.662.9178.8134.88.9112.2D268 T275 F421 N443 D444D268-R271 HydrophobicContact CB-CB 3.92Å; D268-R271 VanDerWaalsContact CG-CB 3.49Å; D268-R271 PolarHBondContact O-N 3.48Å; D268-R271 PolarHBondContact OD1-N 2.88Å; R271-T275 VanDerWaalsContact CZ-OG1 3.23Å; R271-T275 PolarHBondContact NH1-OG1 3.43Å; R271-T275 VanDerWaalsContact O-CB 3.27Å; R271-T275 WeakPolarHBondContact O-CB 2.98Å; R271-T275 PolarHBondContact O-N 3.18Å; R271-T275 PolarHBondContact O-OG1 2.8Å; R271-F421 HydrophobicContact CG-CE1 4.13Å; R271-N443 PolarHBondContact NE-O 2.69Å; R271-N443 PolarHBondContact NH2-O 3.13Å; R271-D444 VanDerWaalsContact NH2-CG 3.25Å; R271-D444 IonicContact NH2-OD1 3.99Å; R271-D444 PolarHBondContact NH2-OD1 2.78Å; R271-D444 IonicContact NH2-OD2 2.71Å
272A98.8Very high98.4Very high0 Ų036.1 Ų36.10%018%0.181CC..Hα-helixtrans-62.9-46.4178.600000111.8Y261 I263 D268 I269 E270 L276 F421Y261-A272 PolarHBondContact OH-O 2.79Å; I263-A272 HydrophobicContact CD1-CB 4.05Å; I263-A272 HydrophobicContact CG1-CB 4.24Å; I263-A272 HydrophobicContact CG2-CB 4.06Å; D268-A272 VanDerWaalsContact O-CB 3.3Å; D268-A272 WeakPolarHBondContact O-CB 3.24Å; D268-A272 PolarHBondContact O-N 2.81Å; I269-A272 PolarHBondContact O-N 3.38Å; E270-A272 VanDerWaalsContact C-N 3.33Å; E270-A272 PolarHBondContact O-N 2.82Å; A272-L276 VanDerWaalsContact O-CB 3.3Å; A272-L276 WeakPolarHBondContact O-CB 3.2Å; A272-L276 PolarHBondContact O-N 3.28Å; A272-F421 HydrophobicContact CB-CB 4.12Å; A272-F421 HydrophobicContact CB-CD1 3.66Å; A272-F421 HydrophobicContact CB-CD2 4.38Å; A272-F421 HydrophobicContact CB-CE1 4.24Å; A272-F421 HydrophobicContact CB-CG 3.77Å
273V98.8Very high98.4Very high10 Ų1036.2 Ų36.26%0.06118%0.182CC..Hα-helixtrans-65.9-48.9178.7173.50000110.9I269 E270 T275 L276 I277 V304 R307 I308 A311I269-V273 HydrophobicContact CG2-CG2 4.36Å; I269-V273 VanDerWaalsContact O-CG2 3.32Å; I269-V273 WeakPolarHBondContact O-CG2 3.15Å; I269-V273 PolarHBondContact O-N 2.68Å; E270-V273 PolarHBondContact O-N 2.99Å; V273-T275 VanDerWaalsContact C-N 3.32Å; V273-T275 PolarHBondContact O-N 3.03Å; V273-L276 PolarHBondContact O-N 3.44Å; V273-I277 HydrophobicContact CG1-CG1 4.3Å; V273-I277 VanDerWaalsContact O-CG1 3.3Å; V273-I277 WeakPolarHBondContact O-CG1 3.39Å; V273-I277 PolarHBondContact O-N 3.35Å; V273-V304 HydrophobicContact CG2-CG1 4.1Å; V273-R307 HydrophobicContact CG1-CB 4.14Å; V273-R307 HydrophobicContact CG2-CB 4.02Å; V273-I308 HydrophobicContact CG1-CG1 4.12Å; V273-I308 HydrophobicContact CG2-CG1 4.18Å; V273-A311 HydrophobicContact CG1-CB 4.47Å
274E98.2Very high98.3Very high93 Ų9336.3 Ų36.344%0.43518%0.182SC..Hα-helixtrans-57-46.8180-73.3-178.1165.900112.1E270 L276 I277 Q278E270-E274 WeakPolarHBondContact O-CB 3.14Å; E270-E274 WeakPolarHBondContact O-CG 3.45Å; E270-E274 PolarHBondContact O-N 3.14Å; E274-L276 PolarHBondContact O-N 2.75Å; E274-I277 PolarHBondContact O-N 2.71Å; E274-Q278 WeakPolarHBondContact O-CB 3.44Å; E274-Q278 VanDerWaalsContact O-CG 3.26Å; E274-Q278 WeakPolarHBondContact O-CG 2.98Å; E274-Q278 PolarHBondContact O-N 2.81Å
275T98.5Very high98.3Very high1 Ų135.9 Ų35.91%0.00618%0.18CC..Hα-helixtrans-66.9-39.1-178.8-48.50000111.3R271 V273 T279 F421 T445R271-T275 VanDerWaalsContact CZ-OG1 3.23Å; R271-T275 PolarHBondContact NH1-OG1 3.43Å; R271-T275 VanDerWaalsContact O-CB 3.27Å; R271-T275 WeakPolarHBondContact O-CB 2.98Å; R271-T275 PolarHBondContact O-N 3.18Å; R271-T275 PolarHBondContact O-OG1 2.8Å; V273-T275 VanDerWaalsContact C-N 3.32Å; V273-T275 PolarHBondContact O-N 3.03Å; T275-T279 VanDerWaalsContact O-CB 3.27Å; T275-T279 WeakPolarHBondContact O-CB 3.24Å; T275-T279 PolarHBondContact O-N 2.79Å; T275-T279 PolarHBondContact O-OG1 3.16Å; T275-F421 HydrophobicContact CG2-CZ 4.08Å; T275-T445 HydrophobicContact CG2-CG2 3.49Å; T275-T445 VanDerWaalsContact CG2-CG2 3.49Å; T275-T445 WeakPolarHBondContact CG2-OG1 3.47Å
276L98.8Very high98.3Very high0 Ų033.2 Ų33.20%016%0.162CC..Hα-helixtrans-58.9-50.5175173.461000111.1Y261 A272 V273 E274 T279 K280 P291 I294 I308 I394Y261-L276 HydrophobicContact CD1-CD1 4.33Å; Y261-L276 HydrophobicContact CD2-CD1 4.15Å; Y261-L276 HydrophobicContact CE1-CB 4.04Å; Y261-L276 HydrophobicContact CE2-CB 4.23Å; Y261-L276 HydrophobicContact CE2-CD1 4.32Å; Y261-L276 HydrophobicContact CG-CD1 4.15Å; Y261-L276 PolarHBondContact OH-N 2.93Å; A272-L276 VanDerWaalsContact O-CB 3.3Å; A272-L276 WeakPolarHBondContact O-CB 3.2Å; A272-L276 PolarHBondContact O-N 3.28Å; V273-L276 PolarHBondContact O-N 3.44Å; E274-L276 PolarHBondContact O-N 2.75Å; L276-T279 PolarHBondContact O-N 2.85Å; L276-K280 WeakPolarHBondContact O-CB 3.33Å; L276-K280 PolarHBondContact O-N 2.8Å; L276-P291 HydrophobicContact CD1-CB 3.68Å; L276-P291 HydrophobicContact CD1-CG 4.03Å; L276-I294 HydrophobicContact CD1-CD1 4.35Å; L276-I294 HydrophobicContact CD1-CG1 3.69Å; L276-I294 HydrophobicContact CD2-CG1 4.01Å; L276-I294 HydrophobicContact CD2-CG2 3.92Å; L276-I308 HydrophobicContact CD2-CD1 3.62Å; L276-I308 HydrophobicContact CD2-CG1 4.13Å; L276-I394 HydrophobicContact CD2-CG2 4.32Å
277I98.5Very high98.3Very high17 Ų1731.3 Ų31.39%0.08715%0.153CC..Hα-helixtrans-62.1-50.9-179.2-61.1-61.4000110.1V273 E274 T279 K280 F281 I308 A311 I312 L315 I394V273-I277 HydrophobicContact CG1-CG1 4.3Å; V273-I277 VanDerWaalsContact O-CG1 3.3Å; V273-I277 WeakPolarHBondContact O-CG1 3.39Å; V273-I277 PolarHBondContact O-N 3.35Å; E274-I277 PolarHBondContact O-N 2.71Å; I277-T279 VanDerWaalsContact C-N 3.27Å; I277-T279 PolarHBondContact O-N 2.75Å; I277-K280 PolarHBondContact O-N 2.77Å; I277-F281 HydrophobicContact CD1-CE2 4.06Å; I277-F281 HydrophobicContact CG2-CD2 3.97Å; I277-F281 HydrophobicContact CG2-CE2 4.27Å; I277-F281 WeakPolarHBondContact O-CD2 3.38Å; I277-F281 PolarHBondContact O-N 2.73Å; I277-I308 HydrophobicContact CD1-CG2 4.2Å; I277-A311 HydrophobicContact CD1-CB 4.1Å; I277-A311 HydrophobicContact CG1-CB 3.82Å; I277-I312 HydrophobicContact CD1-CG2 3.6Å; I277-L315 HydrophobicContact CG2-CD1 4.48Å; I277-L315 HydrophobicContact CG2-CD2 3.93Å; I277-I394 HydrophobicContact CD1-CD1 3.85Å
278Q96.8Very high98.3Very high120 Ų12031.8 Ų31.856%0.56116%0.155SC*.Hα-helixtrans-55.7-43.2178-72.6171.23.300111.8E274 I282E274-Q278 WeakPolarHBondContact O-CB 3.44Å; E274-Q278 VanDerWaalsContact O-CG 3.26Å; E274-Q278 WeakPolarHBondContact O-CG 2.98Å; E274-Q278 PolarHBondContact O-N 2.81Å; Q278-I282 VanDerWaalsContact O-CG1 3.3Å; Q278-I282 WeakPolarHBondContact O-CG1 3.4Å
279T98.1Very high98.3Very high14 Ų1428.5 Ų28.59%0.08614%0.138CC..Hα-helixtrans-77.5-42-175.3-490000112.6T275 L276 I277 F281 P291 T445T275-T279 VanDerWaalsContact O-CB 3.27Å; T275-T279 WeakPolarHBondContact O-CB 3.24Å; T275-T279 PolarHBondContact O-N 2.79Å; T275-T279 PolarHBondContact O-OG1 3.16Å; L276-T279 PolarHBondContact O-N 2.85Å; I277-T279 VanDerWaalsContact C-N 3.27Å; I277-T279 PolarHBondContact O-N 2.75Å; T279-F281 VanDerWaalsContact C-N 3.27Å; T279-F281 PolarHBondContact O-N 2.8Å; T279-P291 HydrophobicContact CG2-CG 3.98Å; T279-T445 HydrophobicContact CG2-CG2 4.16Å; T279-T445 VanDerWaalsContact OG1-CB 3.27Å; T279-T445 WeakPolarHBondContact OG1-CB 3.49Å; T279-T445 WeakPolarHBondContact OG1-CG2 3.01Å; T279-T445 PolarHBondContact OG1-OG1 2.95Å
280K98.4Very high98.2Very high0 Ų027.4 Ų27.40%013%0.133CC..Hα-helixtrans-63.5-34.5-176.6177.770.4-141.8-169.60112.2L276 I277 G285 P291 N292 G391 V393 I394L276-K280 WeakPolarHBondContact O-CB 3.33Å; L276-K280 PolarHBondContact O-N 2.8Å; I277-K280 PolarHBondContact O-N 2.77Å; K280-G285 WeakPolarHBondContact O-CA 3.08Å; K280-G285 PolarHBondContact O-N 3.21Å; K280-G285 VanDerWaalsContact O-N 3.14Å; K280-P291 WeakPolarHBondContact CD-O 3.14Å; K280-P291 PolarHBondContact NZ-O 3.29Å; K280-N292 PolarHBondContact NZ-OD1 3.19Å; K280-G391 WeakPolarHBondContact CE-O 3.07Å; K280-G391 PolarHBondContact NZ-O 3.1Å; K280-V393 WeakPolarHBondContact CD-O 3.12Å; K280-V393 WeakPolarHBondContact CE-O 3.13Å; K280-V393 PolarHBondContact NZ-O 2.89Å; K280-I394 HydrophobicContact CB-CG1 4.44Å; K280-I394 HydrophobicContact CD-CG1 4.14Å; K280-I394 HydrophobicContact CG-CD1 4.2Å; K280-I394 HydrophobicContact CG-CG1 3.68Å
281F98.1Very high98.3Very high3 Ų321.9 Ų21.91%0.01311%0.107CC..Hα-helixtrans-100.60.2-172.2-64.2-66.8000114.2I277 T279 N283 N284 I312 L315 V326 P372 P392 I394I277-F281 HydrophobicContact CD1-CE2 4.06Å; I277-F281 HydrophobicContact CG2-CD2 3.97Å; I277-F281 HydrophobicContact CG2-CE2 4.27Å; I277-F281 WeakPolarHBondContact O-CD2 3.38Å; I277-F281 PolarHBondContact O-N 2.73Å; T279-F281 VanDerWaalsContact C-N 3.27Å; T279-F281 PolarHBondContact O-N 2.8Å; F281-N283 PolarHBondContact O-N 2.53Å; F281-N284 PolarHBondContact O-N 3.04Å; F281-N284 VanDerWaalsContact O-N 3.1Å; F281-I312 HydrophobicContact CE2-CG2 3.75Å; F281-I312 HydrophobicContact CZ-CG2 3.85Å; F281-L315 HydrophobicContact CD1-CD1 4.13Å; F281-L315 HydrophobicContact CD2-CD1 3.41Å; F281-L315 VanDerWaalsContact CD2-CD1 3.41Å; F281-L315 HydrophobicContact CD2-CD2 4.47Å; F281-L315 HydrophobicContact CE1-CD1 4.09Å; F281-L315 HydrophobicContact CE2-CD1 3.39Å; F281-L315 HydrophobicContact CG-CD1 3.82Å; F281-L315 HydrophobicContact CZ-CD1 3.74Å; F281-V326 HydrophobicContact CB-CG2 4.04Å; F281-V326 HydrophobicContact CD1-CG2 4.02Å; F281-V326 HydrophobicContact CG-CG2 4.22Å; F281-P372 HydrophobicContact CD1-CB 4.44Å; F281-P372 HydrophobicContact CE1-CB 3.62Å; F281-P372 HydrophobicContact CE1-CG 4.16Å; F281-P372 HydrophobicContact CZ-CB 3.84Å; F281-P392 HydrophobicContact CD1-CB 4.09Å; F281-P392 HydrophobicContact CE1-CB 3.79Å; F281-I394 HydrophobicContact CE2-CD1 3.82Å; F281-I394 HydrophobicContact CZ-CD1 3.91Å; F281-I394 HydrophobicContact CZ-CG1 4.25Å
282I97.6Very high98.3Very high69 Ų6918.2 Ų18.235%0.3549%0.093SC..G310 helixtrans-55.6127.4162.7-72.2160.6000108.2F157 Q278 N284 G285 V287F157-I282 HydrophobicContact CZ-CG2 4.23Å; Q278-I282 VanDerWaalsContact O-CG1 3.3Å; Q278-I282 WeakPolarHBondContact O-CG1 3.4Å; I282-N284 PolarHBondContact O-N 3.29Å; I282-N284 VanDerWaalsContact O-N 3.11Å; I282-G285 PolarHBondContact O-N 3.16Å; I282-V287 HydrophobicContact CB-CG2 4.34Å; I282-V287 HydrophobicContact CG2-CG2 3.92Å; I282-V287 WeakPolarHBondContact O-CG2 3.37Å
283N98.1Very high98.3Very high2 Ų218.3 Ų18.31%0.0119%0.093CC..G310 helixtrans4937.5-178.1-16628.4000113.3Q98 K100 N156 F281 G285 Q286 V287Q98-N283 PolarHBondContact NE2-ND2 2.9Å; Q98-N283 PolarHBondContact NE2-OD1 2.9Å; Q98-N283 PolarHBondContact OE1-OD1 2.81Å; K100-N283 WeakPolarHBondContact CB-OD1 3.37Å; N156-N283 PolarHBondContact O-ND2 2.78Å; F281-N283 PolarHBondContact O-N 2.53Å; N283-G285 PolarHBondContact O-N 3.3Å; N283-Q286 PolarHBondContact ND2-O 2.73Å; N283-Q286 WeakPolarHBondContact O-CB 3.33Å; N283-Q286 WeakPolarHBondContact O-CG 3.38Å; N283-Q286 PolarHBondContact O-N 2.99Å; N283-Q286 PolarHBondContact O-NE2 3.47Å; N283-Q286 VanDerWaalsContact O-NE2 3.1Å; N283-V287 HydrophobicContact CB-CG2 4.1Å
284N98Very high98.3Very high1 Ų117.8 Ų17.81%0.0059%0.09CC..G310 helixtrans57.632.6-179.1-16316.3000113.5F281 I282 Q286 V326 G327 P328 L329 G391 P392F281-N284 PolarHBondContact O-N 3.04Å; F281-N284 VanDerWaalsContact O-N 3.1Å; I282-N284 PolarHBondContact O-N 3.29Å; I282-N284 VanDerWaalsContact O-N 3.11Å; N284-Q286 PolarHBondContact O-N 3.41Å; N284-V326 HydrophobicContact CB-CG1 3.97Å; N284-V326 VanDerWaalsContact CG-CG1 3.49Å; N284-V326 WeakPolarHBondContact OD1-CG1 3.33Å; N284-G327 VanDerWaalsContact CG-O 3.26Å; N284-G327 PolarHBondContact ND2-O 3.34Å; N284-P328 VanDerWaalsContact ND2-C 3.31Å; N284-P328 PolarHBondContact ND2-O 3.44Å; N284-L329 WeakPolarHBondContact ND2-CD2 3.32Å; N284-L329 PolarHBondContact ND2-N 2.94Å; N284-G391 CarbonylContact O-C 3.35Å; N284-G391 VanDerWaalsContact O-CA 3.31Å; N284-G391 WeakPolarHBondContact O-CA 3.44Å; N284-P392 WeakPolarHBondContact OD1-CB 3.35Å; N284-P392 WeakPolarHBondContact OD1-CD 3.31Å; N284-P392 WeakPolarHBondContact OD1-CG 3.17Å
285G98.2Very high98.3Very high0 Ų013.4 Ų13.40%07%0.07CC..G310 helixtrans74.96.2-17700000115K280 I282 N283 V287K280-G285 WeakPolarHBondContact O-CA 3.08Å; K280-G285 PolarHBondContact O-N 3.21Å; K280-G285 VanDerWaalsContact O-N 3.14Å; I282-G285 PolarHBondContact O-N 3.16Å; N283-G285 PolarHBondContact O-N 3.3Å; G285-V287 PolarHBondContact O-N 3.08Å
286Q98.6Very high98.3Very high1 Ų113.4 Ų13.41%0.0057%0.07CC..  trans-82.756.9177.3-59.6170111.300110.5W155 N156 N283 N284 P328 L329 F390W155-Q286 HydrophobicContact CH2-CB 3.82Å; W155-Q286 HydrophobicContact CH2-CG 3.87Å; W155-Q286 HydrophobicContact CZ3-CB 3.85Å; W155-Q286 HydrophobicContact CZ3-CG 4.13Å; W155-Q286 VanDerWaalsContact CZ3-OE1 3.27Å; N156-Q286 VanDerWaalsContact CB-O 3.3Å; N156-Q286 WeakPolarHBondContact CB-O 3.34Å; N156-Q286 PolarHBondContact ND2-O 3.46Å; N283-Q286 PolarHBondContact ND2-O 2.73Å; N283-Q286 WeakPolarHBondContact O-CB 3.33Å; N283-Q286 WeakPolarHBondContact O-CG 3.38Å; N283-Q286 PolarHBondContact O-N 2.99Å; N283-Q286 PolarHBondContact O-NE2 3.47Å; N283-Q286 VanDerWaalsContact O-NE2 3.1Å; N284-Q286 PolarHBondContact O-N 3.41Å; Q286-P328 PolarHBondContact NE2-O 3.12Å; Q286-L329 HydrophobicContact CG-CD2 3.78Å; Q286-F390 HydrophobicContact CB-CD1 3.68Å; Q286-F390 HydrophobicContact CB-CE1 3.56Å; Q286-F390 HydrophobicContact CB-CG 4.45Å; Q286-F390 HydrophobicContact CB-CZ 4.25Å; Q286-F390 HydrophobicContact CG-CD1 3.9Å; Q286-F390 HydrophobicContact CG-CE1 4.25Å; Q286-F390 WeakPolarHBondContact CG-O 3.33Å; Q286-F390 WeakPolarHBondContact O-CZ 3.43Å
287V98.4Very high98.3Very high13 Ų1314.2 Ų14.28%0.0797%0.074CC..  trans-133.8129.1-177.5-170.90000108.1F157 I282 N283 G285 T289 S290F157-V287 HydrophobicContact CE2-CB 4.13Å; F157-V287 HydrophobicContact CE2-CG1 3.8Å; F157-V287 HydrophobicContact CE2-CG2 3.78Å; F157-V287 HydrophobicContact CZ-CB 4.41Å; F157-V287 HydrophobicContact CZ-CG1 4Å; F157-V287 HydrophobicContact CZ-CG2 3.72Å; I282-V287 HydrophobicContact CB-CG2 4.34Å; I282-V287 HydrophobicContact CG2-CG2 3.92Å; I282-V287 WeakPolarHBondContact O-CG2 3.37Å; N283-V287 HydrophobicContact CB-CG2 4.1Å; G285-V287 PolarHBondContact O-N 3.08Å; V287-T289 WeakPolarHBondContact CG1-OG1 3.13Å; V287-T289 PolarHBondContact O-N 3.16Å; V287-S290 WeakPolarHBondContact O-CB 3.07Å; V287-S290 PolarHBondContact O-N 2.98Å
288C97.9Very high98.3Very high22 Ų2217.8 Ų17.815%0.1499%0.088CC..THydrogen-bonded Turntrans-61.8-25.9-179.353.30000112.9G257 L416G257-C288 WeakPolarHBondContact CA-O 3.35Å; C288-L416 HydrophobicContact CB-CD2 3.64Å
289T98.2Very high98.4Very high17 Ų1717.6 Ų17.610%0.1049%0.091CC..THydrogen-bonded Turntrans-94.47.9174.861.70000113.2V287 L416 A417 Y419 M439 I447 F454V287-T289 WeakPolarHBondContact CG1-OG1 3.13Å; V287-T289 PolarHBondContact O-N 3.16Å; T289-L416 HydrophobicContact CG2-CD2 3.85Å; T289-L416 HydrophobicContact CG2-CG 4.18Å; T289-A417 HydrophobicContact CG2-CB 3.89Å; T289-Y419 WeakPolarHBondContact CB-OH 3.43Å; T289-Y419 VanDerWaalsContact O-CE2 3.31Å; T289-Y419 WeakPolarHBondContact O-CE2 3.34Å; T289-Y419 PolarHBondContact O-OH 3.36Å; T289-M439 HydrophobicContact CG2-CE 4.07Å; T289-I447 HydrophobicContact CG2-CD1 4.16Å; T289-F454 HydrophobicContact CG2-CE2 3.85Å; T289-F454 HydrophobicContact CG2-CZ 3.66Å
290S98.4Very high98.5Very high0 Ų017.6 Ų17.60%09%0.091CC..  trans-59.5135.2177.6178.60000110.6A259 V287 N292A259-S290 WeakPolarHBondContact CB-O 3.46Å; V287-S290 WeakPolarHBondContact O-CB 3.07Å; V287-S290 PolarHBondContact O-N 2.98Å; S290-N292 PolarHBondContact O-N 3.26Å; S290-N292 PolarHBondContact O-ND2 3.35Å
291P98.6Very high98.5Very high0 Ų018.3 Ų18.30%09%0.094CC..EExtended strand (participates in β ladder)trans-53.7126.1165.1-25.435.2000110.4Y261 L276 T279 K280 I294 Y419Y261-P291 HydrophobicContact CD2-CB 3.96Å; Y261-P291 HydrophobicContact CD2-CG 3.78Å; Y261-P291 HydrophobicContact CE2-CG 4.36Å; Y261-P291 HydrophobicContact CG-CB 4.33Å; L276-P291 HydrophobicContact CD1-CB 3.68Å; L276-P291 HydrophobicContact CD1-CG 4.03Å; T279-P291 HydrophobicContact CG2-CG 3.98Å; K280-P291 WeakPolarHBondContact CD-O 3.14Å; K280-P291 PolarHBondContact NZ-O 3.29Å; P291-I294 HydrophobicContact CB-CD1 4.33Å; P291-Y419 HydrophobicContact CG-CD2 4.27Å; P291-Y419 HydrophobicContact CG-CE2 4.14Å
292N98.6Very high98.5Very high0 Ų024.1 Ų24.10%013%0.125CC..EExtended strand (participates in β ladder)trans-132.3-13.8-179.5-74.8-39.2000113.4H258 A259 K280 S290 P395H258-N292 VanDerWaalsContact ND1-CB 3.3Å; H258-N292 WeakPolarHBondContact ND1-CB 3.21Å; A259-N292 PolarHBondContact O-N 3.09Å; K280-N292 PolarHBondContact NZ-OD1 3.19Å; S290-N292 PolarHBondContact O-N 3.26Å; S290-N292 PolarHBondContact O-ND2 3.35Å; N292-P395 VanDerWaalsContact O-CD 3.3Å; N292-P395 WeakPolarHBondContact O-CD 3.49Å; N292-P395 WeakPolarHBondContact O-CG 3.49Å
293R98.8Very high98.6Very high1 Ų124.9 Ų24.90%0.00413%0.127CC..EExtended strand (participates in β ladder)trans-131.398.8173.5-65.7178.7-68.1151.12.4109.8H258 A259 P260 Y261 F295 F385 I397 D408 A409 T412 Y437H258-R293 WeakPolarHBondContact CD2-CD 3.45Å; H258-R293 PolarHBondContact CD2-NE 2.89Å; H258-R293 WeakPolarHBondContact NE2-CD 3.48Å; H258-R293 WeakPolarHBondContact NE2-CG 3.36Å; H258-R293 PolarHBondContact O-NE 3.01Å; H258-R293 PolarHBondContact O-NH2 2.87Å; A259-R293 PolarHBondContact O-N 3.08Å; A259-R293 VanDerWaalsContact O-N 3.12Å; P260-R293 CarbonylContact C-O 3.59Å; P260-R293 WeakPolarHBondContact CA-O 3.47Å; Y261-R293 PolarHBondContact N-O 2.63Å; R293-F295 HydrophobicContact CB-CD2 4.27Å; R293-F295 HydrophobicContact CB-CE2 3.58Å; R293-F295 HydrophobicContact CB-CZ 4.19Å; R293-F295 VanDerWaalsContact O-CD2 3.28Å; R293-F295 WeakPolarHBondContact O-CD2 2.91Å; R293-F295 PolarHBondContact O-N 2.95Å; R293-F385 VanDerWaalsContact CD-O 3.24Å; R293-F385 WeakPolarHBondContact CD-O 3.38Å; R293-I397 HydrophobicContact CB-CD1 3.75Å; R293-I397 HydrophobicContact CG-CD1 4.18Å; R293-D408 PolarHBondContact NH1-O 2.83Å; R293-D408 VanDerWaalsContact NH1-O 3.15Å; R293-A409 PolarHBondContact NH1-O 3.5Å; R293-A409 PolarHBondContact NH2-O 2.8Å; R293-T412 VanDerWaalsContact NH2-CG2 3.34Å; R293-Y437 PolarHBondContact NH2-OH 3.46Å
294I98.9Very high98.6Very high0 Ų024.8 Ų24.80%013%0.126CC..EExtended strand (participates in β ladder)trans-95.9100.2-171.6-63.365.5000107.7Y261 L276 P291 I296 I394 P395 L396 I397Y261-I294 HydrophobicContact CD1-CG2 4.43Å; Y261-I294 CarbonylContact O-C 3.49Å; Y261-I294 WeakPolarHBondContact O-CA 3.29Å; L276-I294 HydrophobicContact CD1-CD1 4.35Å; L276-I294 HydrophobicContact CD1-CG1 3.69Å; L276-I294 HydrophobicContact CD2-CG1 4.01Å; L276-I294 HydrophobicContact CD2-CG2 3.92Å; P291-I294 HydrophobicContact CB-CD1 4.33Å; I294-I296 HydrophobicContact CG2-CD1 4.22Å; I294-I296 HydrophobicContact CG2-CG1 3.99Å; I294-I394 HydrophobicContact CB-CG2 4.46Å; I294-I394 HydrophobicContact CD1-CG2 4.05Å; I294-I394 HydrophobicContact CG1-CG2 3.94Å; I294-P395 WeakPolarHBondContact CB-O 3.37Å; I294-P395 PolarHBondContact N-O 3.23Å; I294-L396 HydrophobicContact CB-CD2 3.98Å; I294-L396 HydrophobicContact CG2-CD2 3.89Å; I294-L396 WeakPolarHBondContact O-CA 2.99Å; I294-I397 PolarHBondContact O-N 3.36Å
295F99Very high98.6Very high1 Ų125.2 Ų25.20%0.00413%0.129CC..EExtended strand (participates in β ladder)trans-86.7122.2178.1-64.1-89.9000109.5P260 Y261 I262 I263 R293 F385 I397 F399 V405 D408 A409P260-F295 HydrophobicContact CB-CD2 4.07Å; P260-F295 HydrophobicContact CB-CE2 3.78Å; Y261-F295 PolarHBondContact O-N 2.9Å; I262-F295 CarbonylContact C-O 3.52Å; I262-F295 WeakPolarHBondContact CA-O 3.48Å; I262-F295 HydrophobicContact CB-CB 4.37Å; I262-F295 HydrophobicContact CG1-CB 4.12Å; I262-F295 HydrophobicContact CG1-CD2 4.09Å; I262-F295 HydrophobicContact CG1-CG 4.42Å; I262-F295 HydrophobicContact CG2-CB 4.23Å; I263-F295 PolarHBondContact N-O 2.93Å; R293-F295 HydrophobicContact CB-CD2 4.27Å; R293-F295 HydrophobicContact CB-CE2 3.58Å; R293-F295 HydrophobicContact CB-CZ 4.19Å; R293-F295 VanDerWaalsContact O-CD2 3.28Å; R293-F295 WeakPolarHBondContact O-CD2 2.91Å; R293-F295 PolarHBondContact O-N 2.95Å; F295-F385 HydrophobicContact CE1-CE2 4.22Å; F295-F385 HydrophobicContact CZ-CE2 4.09Å; F295-F385 HydrophobicContact CZ-CZ 4.21Å; F295-I397 CarbonylContact C-O 3.58Å; F295-I397 VanDerWaalsContact CA-O 3.28Å; F295-I397 WeakPolarHBondContact CA-O 3.39Å; F295-I397 HydrophobicContact CD1-CB 3.82Å; F295-I397 HydrophobicContact CD1-CD1 4.26Å; F295-I397 HydrophobicContact CD1-CG2 3.6Å; F295-I397 HydrophobicContact CE1-CB 4.05Å; F295-I397 HydrophobicContact CE1-CD1 3.85Å; F295-I397 HydrophobicContact CE1-CG2 3.6Å; F295-I397 HydrophobicContact CE2-CD1 4.17Å; F295-I397 HydrophobicContact CG-CB 4.42Å; F295-I397 HydrophobicContact CZ-CD1 3.8Å; F295-F399 HydrophobicContact CB-CD1 3.75Å; F295-F399 HydrophobicContact CB-CE1 4.03Å; F295-V405 HydrophobicContact CB-CG2 3.72Å; F295-V405 HydrophobicContact CD1-CG2 3.74Å; F295-V405 HydrophobicContact CE1-CG2 4.47Å; F295-V405 HydrophobicContact CG-CG2 3.75Å; F295-D408 HydrophobicContact CE1-CB 4.06Å; F295-D408 HydrophobicContact CZ-CB 4.43Å; F295-A409 HydrophobicContact CE2-CB 4.42Å
296I98.9Very high98.7Very high0 Ų030.1 Ų30.10%016%0.155CC..EExtended strand (participates in β ladder)trans-122130.3179.6-52.6169.9000108.9I263 I294 I300 K301 V304 I308 L396 I397 T398 F399I263-I296 HydrophobicContact CD1-CG1 4.41Å; I294-I296 HydrophobicContact CG2-CD1 4.22Å; I294-I296 HydrophobicContact CG2-CG1 3.99Å; I296-I300 HydrophobicContact CG2-CD1 4.31Å; I296-I300 HydrophobicContact CG2-CG1 3.91Å; I296-K301 HydrophobicContact CB-CD 4.13Å; I296-K301 HydrophobicContact CD1-CD 4.37Å; I296-K301 HydrophobicContact CG2-CB 4.47Å; I296-K301 HydrophobicContact CG2-CD 4.35Å; I296-V304 HydrophobicContact CD1-CB 4.17Å; I296-V304 HydrophobicContact CD1-CG1 3.55Å; I296-V304 HydrophobicContact CG1-CG1 4.08Å; I296-V304 HydrophobicContact CG2-CB 3.93Å; I296-V304 HydrophobicContact CG2-CG1 4.13Å; I296-V304 HydrophobicContact CG2-CG2 4.08Å; I296-I308 HydrophobicContact CD1-CD1 4.27Å; I296-L396 HydrophobicContact CD1-CD1 4.47Å; I296-L396 HydrophobicContact CD1-CD2 3.87Å; I296-I397 PolarHBondContact N-O 3.5Å; I296-T398 WeakPolarHBondContact O-CA 3.43Å; I296-F399 WeakPolarHBondContact O-CD1 3.24Å; I296-F399 PolarHBondContact O-N 2.88Å
297H98.9Very high98.7Very high18 Ų1835 Ų358%0.08317%0.174CC..EExtended strand (participates in β ladder)trans-65.3139177.5-170.6-93.4000110.7I263 P265 D299 I300 K301 F399 E400I263-H297 PolarHBondContact O-N 3.09Å; I263-H297 VanDerWaalsContact O-N 3.16Å; P265-H297 HydrophobicContact CB-CB 4.49Å; H297-D299 IonicContact CE1-OD2 3.98Å; H297-D299 PolarHBondContact CE1-OD2 3.47Å; H297-D299 VanDerWaalsContact CE1-OD2 3.24Å; H297-D299 PolarHBondContact ND1-N 2.8Å; H297-D299 IonicContact ND1-OD2 2.88Å; H297-D299 PolarHBondContact O-N 3.23Å; H297-I300 HydrophobicContact CB-CG1 4.19Å; H297-I300 WeakPolarHBondContact O-CG1 3.32Å; H297-I300 PolarHBondContact O-N 2.69Å; H297-K301 PolarHBondContact O-N 2.97Å; H297-F399 CarbonylContact C-O 3.56Å; H297-F399 WeakPolarHBondContact CA-O 3.3Å; H297-F399 HydrophobicContact CB-CE1 3.96Å; H297-F399 HydrophobicContact CB-CE2 4.12Å; H297-F399 HydrophobicContact CB-CZ 3.72Å; H297-F399 AromaticContact CD2-CD2 3.99Å; H297-F399 AromaticContact CD2-CE2 3.65Å; H297-E400 PolarHBondContact NE2-O 2.81Å; H297-E400 VanDerWaalsContact NE2-O 3.12Å
298K98.7Very high98.7Very high92 Ų9234.4 Ų34.440%0.417%0.17SC..G310 helixtrans-49.8-38-176.257.4157.4175.1-157.80114.4I300 K301 T398 F399 E400K298-I300 PolarHBondContact O-N 2.74Å; K298-K301 WeakPolarHBondContact O-CB 3.34Å; K298-K301 PolarHBondContact O-N 3.12Å; K298-T398 HydrophobicContact CB-CG2 4.01Å; K298-F399 PolarHBondContact N-O 2.94Å; K298-E400 HydrophobicContact CB-CG 4.14Å; K298-E400 HydrophobicContact CD-CB 4.17Å; K298-E400 VanDerWaalsContact CD-CD 3.48Å; K298-E400 HydrophobicContact CD-CG 3.67Å; K298-E400 WeakPolarHBondContact CE-OE2 3.48Å; K298-E400 HydrophobicContact CG-CB 4.17Å; K298-E400 HydrophobicContact CG-CG 3.77Å; K298-E400 IonicContact NZ-OE1 3.24Å; K298-E400 IonicContact NZ-OE2 2.74Å; K298-E400 PolarHBondContact NZ-OE2 3.09Å
299D98.7Very high98.7Very high116 Ų11634 Ų3462%0.6217%0.167SC*.G310 helixtrans-69.9-21-173.8-64.7-14.1000113H297H297-D299 IonicContact CE1-OD2 3.98Å; H297-D299 PolarHBondContact CE1-OD2 3.47Å; H297-D299 VanDerWaalsContact CE1-OD2 3.24Å; H297-D299 PolarHBondContact ND1-N 2.8Å; H297-D299 IonicContact ND1-OD2 2.88Å; H297-D299 PolarHBondContact O-N 3.23Å
300I98.7Very high98.8Very high14 Ų1438.2 Ų38.27%0.07219%0.185CC..G310 helixtrans-117.35.3178.460.8168.1000112.1I263 F264 P265 I269 I296 H297 K298 D302 E303 V304I263-I300 HydrophobicContact CB-CD1 4.35Å; I263-I300 HydrophobicContact CG2-CD1 3.61Å; F264-I300 WeakPolarHBondContact O-CD1 3.28Å; P265-I300 HydrophobicContact CB-CG2 4.43Å; I269-I300 HydrophobicContact CD1-CB 4.17Å; I269-I300 HydrophobicContact CD1-CG2 3.99Å; I296-I300 HydrophobicContact CG2-CD1 4.31Å; I296-I300 HydrophobicContact CG2-CG1 3.91Å; H297-I300 HydrophobicContact CB-CG1 4.19Å; H297-I300 WeakPolarHBondContact O-CG1 3.32Å; H297-I300 PolarHBondContact O-N 2.69Å; K298-I300 PolarHBondContact O-N 2.74Å; I300-D302 PolarHBondContact O-N 2.97Å; I300-E303 PolarHBondContact O-N 3.33Å; I300-V304 HydrophobicContact CB-CG2 4.13Å; I300-V304 HydrophobicContact CD1-CG2 3.91Å; I300-V304 HydrophobicContact CG1-CG2 4.1Å; I300-V304 WeakPolarHBondContact O-CB 3.41Å; I300-V304 VanDerWaalsContact O-CG2 3.29Å; I300-V304 WeakPolarHBondContact O-CG2 3.44Å; I300-V304 PolarHBondContact O-N 2.9Å
301K98.8Very high98.8Very high15 Ų1539.7 Ų39.77%0.06520%0.197CC..Hα-helixtrans-56-51-172.1174.458-179150.80112.4I296 H297 K298 T305 D376 T398I296-K301 HydrophobicContact CB-CD 4.13Å; I296-K301 HydrophobicContact CD1-CD 4.37Å; I296-K301 HydrophobicContact CG2-CB 4.47Å; I296-K301 HydrophobicContact CG2-CD 4.35Å; H297-K301 PolarHBondContact O-N 2.97Å; K298-K301 WeakPolarHBondContact O-CB 3.34Å; K298-K301 PolarHBondContact O-N 3.12Å; K301-T305 WeakPolarHBondContact CE-OG1 3.38Å; K301-T305 PolarHBondContact NZ-OG1 3.05Å; K301-T305 WeakPolarHBondContact O-CB 3.32Å; K301-T305 PolarHBondContact O-N 2.98Å; K301-T305 PolarHBondContact O-OG1 3.4Å; K301-D376 VanDerWaalsContact CE-OD1 3.24Å; K301-D376 WeakPolarHBondContact CE-OD1 3.46Å; K301-D376 IonicContact NZ-OD1 3.17Å; K301-D376 PolarHBondContact NZ-OD1 2.77Å; K301-T398 WeakPolarHBondContact CE-OG1 3.46Å
302D98.6Very high98.7Very high125 Ų12540 Ų4067%0.66820%0.199SC*.Hα-helixtrans-66.7-44.6-177-69.3-11.8000111.4I300 N306I300-D302 PolarHBondContact O-N 2.97Å; D302-N306 WeakPolarHBondContact O-CB 3.35Å; D302-N306 PolarHBondContact O-N 3.16Å; D302-N306 PolarHBondContact O-ND2 3.39Å
303E98.8Very high98.6Very high85 Ų8545.5 Ų45.540%0.39722%0.223SC..Hα-helixtrans-61.9-52.7179.7-179.2177.1173.900111.5I300 T305 N306 R307I300-E303 PolarHBondContact O-N 3.33Å; E303-T305 PolarHBondContact O-N 3.04Å; E303-N306 PolarHBondContact O-N 3.36Å; E303-R307 WeakPolarHBondContact O-CG 3.26Å; E303-R307 PolarHBondContact O-N 3.4Å; E303-R307 IonicContact OE1-CZ 3.05Å; E303-R307 VanDerWaalsContact OE1-CZ 3.3Å; E303-R307 IonicContact OE1-NE 3.19Å; E303-R307 PolarHBondContact OE1-NE 2.89Å; E303-R307 IonicContact OE1-NH2 3.3Å; E303-R307 PolarHBondContact OE1-NH2 2.99Å
304V98.9Very high98.5Very high0 Ų053 Ų530%026%0.258CS..Hα-helixtrans-62.8-43.9-179174.40000110.5I263 I269 V273 I296 I300 N306 R307 I308I263-V304 HydrophobicContact CD1-CG1 3.82Å; I269-V304 HydrophobicContact CD1-CG2 4.45Å; I269-V304 HydrophobicContact CG1-CG2 4.32Å; I269-V304 HydrophobicContact CG2-CG2 4Å; V273-V304 HydrophobicContact CG2-CG1 4.1Å; I296-V304 HydrophobicContact CD1-CB 4.17Å; I296-V304 HydrophobicContact CD1-CG1 3.55Å; I296-V304 HydrophobicContact CG1-CG1 4.08Å; I296-V304 HydrophobicContact CG2-CB 3.93Å; I296-V304 HydrophobicContact CG2-CG1 4.13Å; I296-V304 HydrophobicContact CG2-CG2 4.08Å; I300-V304 HydrophobicContact CB-CG2 4.13Å; I300-V304 HydrophobicContact CD1-CG2 3.91Å; I300-V304 HydrophobicContact CG1-CG2 4.1Å; I300-V304 WeakPolarHBondContact O-CB 3.41Å; I300-V304 VanDerWaalsContact O-CG2 3.29Å; I300-V304 WeakPolarHBondContact O-CG2 3.44Å; I300-V304 PolarHBondContact O-N 2.9Å; V304-N306 PolarHBondContact O-N 3.19Å; V304-R307 PolarHBondContact O-N 2.83Å; V304-I308 HydrophobicContact CG1-CD1 3.72Å; V304-I308 HydrophobicContact CG1-CG1 4.31Å; V304-I308 VanDerWaalsContact O-CG1 3.28Å; V304-I308 WeakPolarHBondContact O-CG1 3.28Å; V304-I308 PolarHBondContact O-N 3.43Å
305T98.9Very high98.4Very high10 Ų1054.3 Ų54.36%0.06127%0.265CS..Hα-helixtrans-60.1-46.7179.3-59.80000111.1K301 E303 R307 I308 V309 L353 L396K301-T305 WeakPolarHBondContact CE-OG1 3.38Å; K301-T305 PolarHBondContact NZ-OG1 3.05Å; K301-T305 WeakPolarHBondContact O-CB 3.32Å; K301-T305 PolarHBondContact O-N 2.98Å; K301-T305 PolarHBondContact O-OG1 3.4Å; E303-T305 PolarHBondContact O-N 3.04Å; T305-R307 PolarHBondContact O-N 3.34Å; T305-I308 PolarHBondContact O-N 3.45Å; T305-V309 WeakPolarHBondContact O-CG2 3.21Å; T305-V309 PolarHBondContact O-N 3.31Å; T305-L353 HydrophobicContact CG2-CD1 3.34Å; T305-L396 HydrophobicContact CG2-CD1 3.66Å
306N98.7Very high98.4Very high102 Ų10257.8 Ų57.855%0.54529%0.287SS..Hα-helixtrans-61.8-43.9177.7-71.9-31.9000111.7D302 E303 V304 I308 V309 E310D302-N306 WeakPolarHBondContact O-CB 3.35Å; D302-N306 PolarHBondContact O-N 3.16Å; D302-N306 PolarHBondContact O-ND2 3.39Å; E303-N306 PolarHBondContact O-N 3.36Å; V304-N306 PolarHBondContact O-N 3.19Å; N306-I308 PolarHBondContact O-N 3.15Å; N306-V309 PolarHBondContact O-N 3.07Å; N306-E310 WeakPolarHBondContact O-CG 3.3Å; N306-E310 PolarHBondContact O-N 3.41Å
307R98.8Very high98.4Very high104 Ų10459 Ų5939%0.39229%0.294SS..Hα-helixtrans-62.5-40.8177.5-71.8176.8-178.8-113.39.4112.5V273 E303 V304 T305 E310 A311V273-R307 HydrophobicContact CG1-CB 4.14Å; V273-R307 HydrophobicContact CG2-CB 4.02Å; E303-R307 WeakPolarHBondContact O-CG 3.26Å; E303-R307 PolarHBondContact O-N 3.4Å; E303-R307 IonicContact OE1-CZ 3.05Å; E303-R307 VanDerWaalsContact OE1-CZ 3.3Å; E303-R307 IonicContact OE1-NE 3.19Å; E303-R307 PolarHBondContact OE1-NE 2.89Å; E303-R307 IonicContact OE1-NH2 3.3Å; E303-R307 PolarHBondContact OE1-NH2 2.99Å; V304-R307 PolarHBondContact O-N 2.83Å; T305-R307 PolarHBondContact O-N 3.34Å; R307-E310 PolarHBondContact O-N 3.39Å; R307-A311 VanDerWaalsContact O-CB 3.28Å; R307-A311 WeakPolarHBondContact O-CB 3.31Å; R307-A311 PolarHBondContact O-N 3.25Å
308I98.9Very high98.3Very high0 Ų058.3 Ų58.30%029%0.292CS..Hα-helixtrans-62.5-47.1175.1-68168.5000110.1V273 L276 I277 I296 V304 T305 N306 E310 A311 I312 V374 I394 L396V273-I308 HydrophobicContact CG1-CG1 4.12Å; V273-I308 HydrophobicContact CG2-CG1 4.18Å; L276-I308 HydrophobicContact CD2-CD1 3.62Å; L276-I308 HydrophobicContact CD2-CG1 4.13Å; I277-I308 HydrophobicContact CD1-CG2 4.2Å; I296-I308 HydrophobicContact CD1-CD1 4.27Å; V304-I308 HydrophobicContact CG1-CD1 3.72Å; V304-I308 HydrophobicContact CG1-CG1 4.31Å; V304-I308 VanDerWaalsContact O-CG1 3.28Å; V304-I308 WeakPolarHBondContact O-CG1 3.28Å; V304-I308 PolarHBondContact O-N 3.43Å; T305-I308 PolarHBondContact O-N 3.45Å; N306-I308 PolarHBondContact O-N 3.15Å; I308-E310 VanDerWaalsContact C-N 3.34Å; I308-E310 PolarHBondContact O-N 3.49Å; I308-A311 PolarHBondContact O-N 3.2Å; I308-I312 WeakPolarHBondContact O-CG2 3.3Å; I308-I312 PolarHBondContact O-N 2.62Å; I308-V374 HydrophobicContact CG2-CG1 4.48Å; I308-V374 HydrophobicContact CG2-CG2 3.64Å; I308-I394 HydrophobicContact CG2-CD1 3.86Å; I308-I394 HydrophobicContact CG2-CG2 4.27Å; I308-L396 HydrophobicContact CD1-CD2 3.98Å
309V98.8Very high98.3Very high15 Ų1555.1 Ų55.19%0.09128%0.279CS..Hα-helixtrans-60.5-42.5179.6168.90000111.7T305 N306 I312 K313 L353 A354 V374T305-V309 WeakPolarHBondContact O-CG2 3.21Å; T305-V309 PolarHBondContact O-N 3.31Å; N306-V309 PolarHBondContact O-N 3.07Å; V309-I312 WeakPolarHBondContact O-CG1 3.35Å; V309-K313 WeakPolarHBondContact O-CG 3.16Å; V309-L353 HydrophobicContact CG2-CB 3.82Å; V309-L353 HydrophobicContact CG2-CD1 4.05Å; V309-A354 HydrophobicContact CG1-CB 4.27Å; V309-V374 HydrophobicContact CG2-CB 4.31Å; V309-V374 HydrophobicContact CG2-CG1 4.07Å; V309-V374 HydrophobicContact CG2-CG2 4.44Å
310E98.5Very high98.2Very high104 Ų10449.6 Ų49.649%0.48625%0.249SC..Hα-helixtrans-68.1-43175.7-65.4-47.5125.900111.8N306 R307 I308 I312 K313N306-E310 WeakPolarHBondContact O-CG 3.3Å; N306-E310 PolarHBondContact O-N 3.41Å; R307-E310 PolarHBondContact O-N 3.39Å; I308-E310 VanDerWaalsContact C-N 3.34Å; I308-E310 PolarHBondContact O-N 3.49Å; E310-I312 VanDerWaalsContact C-N 3.32Å; E310-I312 PolarHBondContact O-N 3.29Å; E310-K313 VanDerWaalsContact CD-NZ 3.28Å; E310-K313 WeakPolarHBondContact O-CB 3.14Å; E310-K313 PolarHBondContact O-N 2.73Å; E310-K313 IonicContact OE1-NZ 3.63Å; E310-K313 PolarHBondContact OE1-NZ 2.83Å; E310-K313 IonicContact OE2-NZ 2.62Å; E310-K313 PolarHBondContact OE2-NZ 3.32Å
311A98.4Very high98.2Very high31 Ų3150.7 Ų50.726%0.25626%0.255SS..Hα-helixtrans-63-36-178.700000113V273 I277 R307 I308 K313 E314V273-A311 HydrophobicContact CG1-CB 4.47Å; I277-A311 HydrophobicContact CD1-CB 4.1Å; I277-A311 HydrophobicContact CG1-CB 3.82Å; R307-A311 VanDerWaalsContact O-CB 3.28Å; R307-A311 WeakPolarHBondContact O-CB 3.31Å; R307-A311 PolarHBondContact O-N 3.25Å; I308-A311 PolarHBondContact O-N 3.2Å; A311-K313 VanDerWaalsContact C-N 3.29Å; A311-K313 PolarHBondContact O-N 2.64Å; A311-E314 PolarHBondContact O-N 2.75Å
312I97.8Very high98.1Very high8 Ų854.9 Ų54.94%0.04128%0.275CS..Hα-helixtrans-72.1-21.4179.464.6150000113.8I277 F281 I308 V309 E310 E314 L315 A354 P372 V374 I394I277-I312 HydrophobicContact CD1-CG2 3.6Å; F281-I312 HydrophobicContact CE2-CG2 3.75Å; F281-I312 HydrophobicContact CZ-CG2 3.85Å; I308-I312 WeakPolarHBondContact O-CG2 3.3Å; I308-I312 PolarHBondContact O-N 2.62Å; V309-I312 WeakPolarHBondContact O-CG1 3.35Å; E310-I312 VanDerWaalsContact C-N 3.32Å; E310-I312 PolarHBondContact O-N 3.29Å; I312-E314 PolarHBondContact O-N 3.43Å; I312-L315 HydrophobicContact CB-CD1 3.94Å; I312-L315 HydrophobicContact CG2-CD1 4.04Å; I312-L315 WeakPolarHBondContact O-CB 3.03Å; I312-L315 WeakPolarHBondContact O-CG 3.41Å; I312-L315 PolarHBondContact O-N 3.43Å; I312-A354 HydrophobicContact CD1-CB 3.53Å; I312-A354 HydrophobicContact CG1-CB 4.3Å; I312-P372 HydrophobicContact CB-CB 4.34Å; I312-P372 WeakPolarHBondContact CD1-O 3.39Å; I312-V374 HydrophobicContact CD1-CB 4.33Å; I312-V374 HydrophobicContact CD1-CG2 3.5Å; I312-V374 HydrophobicContact CG1-CG2 4Å; I312-V374 HydrophobicContact CG2-CG2 4.22Å; I312-I394 HydrophobicContact CG2-CD1 4.14Å
313K95.8Very high98Very high115 Ų11552.2 Ų52.250%0.526%0.261SS..Hα-helixtrans-70.3-23.8177.3-68.3169.5-172.2170.80112.6V309 E310 A311 L315V309-K313 WeakPolarHBondContact O-CG 3.16Å; E310-K313 VanDerWaalsContact CD-NZ 3.28Å; E310-K313 WeakPolarHBondContact O-CB 3.14Å; E310-K313 PolarHBondContact O-N 2.73Å; E310-K313 IonicContact OE1-NZ 3.63Å; E310-K313 PolarHBondContact OE1-NZ 2.83Å; E310-K313 IonicContact OE2-NZ 2.62Å; E310-K313 PolarHBondContact OE2-NZ 3.32Å; A311-K313 VanDerWaalsContact C-N 3.29Å; A311-K313 PolarHBondContact O-N 2.64Å; K313-L315 VanDerWaalsContact C-N 3.28Å
314E96.2Very high98Very high157 Ų15748.8 Ų48.873%0.73425%0.246SC*.THydrogen-bonded Turntrans-82.8-6.7177.9-58.5-59.8134.400112.5A311 I312A311-E314 PolarHBondContact O-N 2.75Å; I312-E314 PolarHBondContact O-N 3.43Å
315L98.1Very high97.9Very high28 Ų2851.5 Ų51.515%0.14726%0.263CS..  trans-74.8133.2179.8-58173.8000110.4I277 F281 I312 K313 T325 V326 P372I277-L315 HydrophobicContact CG2-CD1 4.48Å; I277-L315 HydrophobicContact CG2-CD2 3.93Å; F281-L315 HydrophobicContact CD1-CD1 4.13Å; F281-L315 HydrophobicContact CD2-CD1 3.41Å; F281-L315 VanDerWaalsContact CD2-CD1 3.41Å; F281-L315 HydrophobicContact CD2-CD2 4.47Å; F281-L315 HydrophobicContact CE1-CD1 4.09Å; F281-L315 HydrophobicContact CE2-CD1 3.39Å; F281-L315 HydrophobicContact CG-CD1 3.82Å; F281-L315 HydrophobicContact CZ-CD1 3.74Å; I312-L315 HydrophobicContact CB-CD1 3.94Å; I312-L315 HydrophobicContact CG2-CD1 4.04Å; I312-L315 WeakPolarHBondContact O-CB 3.03Å; I312-L315 WeakPolarHBondContact O-CG 3.41Å; I312-L315 PolarHBondContact O-N 3.43Å; K313-L315 VanDerWaalsContact C-N 3.28Å; L315-T325 HydrophobicContact CD2-CG2 3.54Å; L315-V326 HydrophobicContact CB-CG2 4.39Å; L315-P372 HydrophobicContact CB-CG 4.26Å; L315-P372 HydrophobicContact CD1-CB 3.85Å; L315-P372 HydrophobicContact CD1-CG 4.01Å
316T97.9Very high97.9Very high75 Ų7551 Ų5146%0.4626%0.26SS..  trans-92.5137.3171.852.10000109.9P324 T325 V326T316-P324 WeakPolarHBondContact OG1-CA 3.49Å; T316-T325 PolarHBondContact N-OG1 3.02Å; T316-T325 PolarHBondContact O-N 2.93Å; T316-T325 VanDerWaalsContact O-N 3.12Å; T316-T325 PolarHBondContact OG1-N 3.49Å; T316-T325 PolarHBondContact OG1-OG1 3.44Å; T316-T325 VanDerWaalsContact OG1-OG1 3.14Å; T316-V326 PolarHBondContact O-N 2.79Å
317V98.5Very high97.9Very high24 Ų2446.2 Ų46.215%0.14523%0.234CC..BIsolated β-bridgetrans-113.6138.5175.1-174.30000108V326 L359 Y364 F369 P372V317-V326 WeakPolarHBondContact CA-O 3.42Å; V317-V326 HydrophobicContact CG2-CB 4.18Å; V317-L359 HydrophobicContact CB-CD1 4.25Å; V317-L359 HydrophobicContact CG1-CD1 3.89Å; V317-Y364 HydrophobicContact CG1-CE1 4.38Å; V317-Y364 PolarHBondContact O-OH 2.8Å; V317-F369 HydrophobicContact CG1-CD1 3.85Å; V317-P372 HydrophobicContact CG2-CG 3.96Å
318G98.1Very high97.9Very high4 Ų441.3 Ų41.34%0.04122%0.216CC..SBendtrans171.8-171.917700000115G320 P324 V326 F369G318-G320 PolarHBondContact O-N 2.97Å; G318-P324 WeakPolarHBondContact O-CG 3.39Å; G318-V326 PolarHBondContact N-O 2.83Å; G318-F369 VanDerWaalsContact C-CE1 3.44Å; G318-F369 VanDerWaalsContact O-CE1 3.26Å; G318-F369 WeakPolarHBondContact O-CE1 3.45Å
319N97.6Very high97.9Very high25 Ų2541.3 Ų41.313%0.13422%0.216CC..  trans-62.1129.5175.2-173.8-35.6000110.1A34 L321 E322 P324A34-N319 HydrophobicContact CB-CB 4.21Å; N319-L321 PolarHBondContact O-N 3.37Å; N319-L321 PolarHBondContact OD1-N 3.21Å; N319-E322 HydrophobicContact CB-CG 4.49Å; N319-E322 PolarHBondContact O-N 3.3Å; N319-P324 WeakPolarHBondContact O-CD 3.27Å
320G98.2Very high97.9Very high0 Ų041.1 Ų41.10%021%0.214CC..G310 helixtrans-56.9-24.7-177.700000114.7G99 L102 G318 E322 D323G99-G320 WeakPolarHBondContact O-CA 3.21Å; L102-G320 PolarHBondContact N-O 3.01Å; L102-G320 VanDerWaalsContact N-O 3.09Å; G318-G320 PolarHBondContact O-N 2.97Å; G320-E322 PolarHBondContact O-N 3.17Å; G320-D323 PolarHBondContact O-N 3.48Å; G320-D323 VanDerWaalsContact O-N 3.09Å
321L97.5Very high97.8Very high38 Ų3838.3 Ų38.320%0.19920%0.202CC..G310 helixtrans-69.3-20.5174.9-69179.5000113.6Q5 T92 T95 M96 L102 N319 D323Q5-L321 HydrophobicContact CB-CD1 4.28Å; T92-L321 HydrophobicContact CG2-CD2 4.22Å; T95-L321 HydrophobicContact CG2-CD2 3.72Å; T95-L321 HydrophobicContact CG2-CG 3.96Å; M96-L321 HydrophobicContact CG-CD1 4.01Å; M96-L321 HydrophobicContact CG-CD2 4.08Å; M96-L321 HydrophobicContact CG-CG 4.31Å; L102-L321 HydrophobicContact CD1-CD2 4.27Å; L102-L321 HydrophobicContact CD2-CD2 4.15Å; L102-L321 HydrophobicContact CG-CD2 4.3Å; N319-L321 PolarHBondContact O-N 3.37Å; N319-L321 PolarHBondContact OD1-N 3.21Å; L321-D323 VanDerWaalsContact C-N 3.26Å
322E97Very high97.7Very high103 Ų10340.1 Ų40.148%0.48121%0.206SC..G310 helixtrans-894.1172.9-57.2-170.115800112.3A2 N319 G320 P324A2-E322 WeakPolarHBondContact CB-OE1 3.47Å; N319-E322 HydrophobicContact CB-CG 4.49Å; N319-E322 PolarHBondContact O-N 3.3Å; G320-E322 PolarHBondContact O-N 3.17Å; E322-P324 VanDerWaalsContact C-CD 3.49Å
323D97.6Very high97.7Very high68 Ų6842.6 Ų42.636%0.36423%0.227SC..  trans50.749.4179.1-154.336.3000115.3P101 L102 T103 G320 L321P101-D323 WeakPolarHBondContact CB-OD1 3.27Å; L102-D323 PolarHBondContact N-OD1 3.33Å; L102-D323 VanDerWaalsContact N-OD1 3.14Å; T103-D323 WeakPolarHBondContact CB-OD1 3.36Å; T103-D323 WeakPolarHBondContact CB-OD2 3.39Å; T103-D323 PolarHBondContact N-OD1 3.22Å; T103-D323 PolarHBondContact OG1-OD1 3.25Å; T103-D323 PolarHBondContact OG1-OD2 3.5Å; G320-D323 PolarHBondContact O-N 3.48Å; G320-D323 VanDerWaalsContact O-N 3.09Å; L321-D323 VanDerWaalsContact C-N 3.26Å
324P97.9Very high97.8Very high14 Ų1438 Ų389%0.09121%0.213CC..  trans-69.5174.6174.334.4-37.9000110.7P101 T316 G318 N319 E322 V326P101-P324 WeakPolarHBondContact CB-O 3.41Å; P101-P324 HydrophobicContact CG-CG 4.34Å; P101-P324 WeakPolarHBondContact CG-O 3.17Å; T316-P324 WeakPolarHBondContact OG1-CA 3.49Å; G318-P324 WeakPolarHBondContact O-CG 3.39Å; N319-P324 WeakPolarHBondContact O-CD 3.27Å; E322-P324 VanDerWaalsContact C-CD 3.49Å; P324-V326 VanDerWaalsContact C-N 3.33Å
325T97.4Very high97.9Very high57 Ų5730.6 Ų30.635%0.3518%0.178SC..SBendtrans-69.4-35.7172.3-430000111.8Q104 L315 T316Q104-T325 PolarHBondContact NE2-O 3.39Å; L315-T325 HydrophobicContact CD2-CG2 3.54Å; T316-T325 PolarHBondContact N-OG1 3.02Å; T316-T325 PolarHBondContact O-N 2.93Å; T316-T325 VanDerWaalsContact O-N 3.12Å; T316-T325 PolarHBondContact OG1-N 3.49Å; T316-T325 PolarHBondContact OG1-OG1 3.44Å; T316-T325 VanDerWaalsContact OG1-OG1 3.14Å
326V98.4Very high98Very high0 Ų033.8 Ų33.80%019%0.192CC..BIsolated β-bridgetrans-129120.2-172-174.50000110.5F281 N284 L315 T316 V317 G318 P324 P372F281-V326 HydrophobicContact CB-CG2 4.04Å; F281-V326 HydrophobicContact CD1-CG2 4.02Å; F281-V326 HydrophobicContact CG-CG2 4.22Å; N284-V326 HydrophobicContact CB-CG1 3.97Å; N284-V326 VanDerWaalsContact CG-CG1 3.49Å; N284-V326 WeakPolarHBondContact OD1-CG1 3.33Å; L315-V326 HydrophobicContact CB-CG2 4.39Å; T316-V326 PolarHBondContact O-N 2.79Å; V317-V326 WeakPolarHBondContact CA-O 3.42Å; V317-V326 HydrophobicContact CG2-CB 4.18Å; G318-V326 PolarHBondContact N-O 2.83Å; P324-V326 VanDerWaalsContact C-N 3.33Å; V326-P372 HydrophobicContact CG2-CG 4.16Å
327G98.3Very high98Very high1 Ų133.8 Ų33.81%0.0119%0.186CC..  trans-85-174.3172.600000113.1N284N284-G327 VanDerWaalsContact CG-O 3.26Å; N284-G327 PolarHBondContact ND2-O 3.34Å
328P98.6Very high98Very high1 Ų132.7 Ų32.71%0.00618%0.179CC..  trans-71.5166.3174.335.3-38.5000111.8P33 A34 G99 N284 Q286 N368 F369P33-P328 HydrophobicContact CB-CB 4.43Å; P33-P328 HydrophobicContact CB-CG 4.02Å; P33-P328 HydrophobicContact CG-CG 3.98Å; A34-P328 HydrophobicContact CB-CG 3.97Å; G99-P328 VanDerWaalsContact O-CD 3.29Å; G99-P328 WeakPolarHBondContact O-CD 3.37Å; N284-P328 VanDerWaalsContact ND2-C 3.31Å; N284-P328 PolarHBondContact ND2-O 3.44Å; Q286-P328 PolarHBondContact NE2-O 3.12Å; P328-N368 WeakPolarHBondContact CA-O 3.49Å; P328-N368 HydrophobicContact CB-CB 4.32Å; P328-F369 HydrophobicContact CB-CD1 3.91Å; P328-F369 HydrophobicContact CB-CE1 3.72Å; P328-F369 HydrophobicContact CB-CG 4.45Å; P328-F369 HydrophobicContact CB-CZ 4.15Å; P328-F369 HydrophobicContact CG-CE1 4.24Å
329L98.7Very high98Very high0 Ų035.8 Ų35.80%020%0.197CC..  trans-72.8152.9159.1-67.2173.7000109.4P33 N284 Q286 N331 V335 V338 N368 F370P33-L329 WeakPolarHBondContact CB-O 3.28Å; N284-L329 WeakPolarHBondContact ND2-CD2 3.32Å; N284-L329 PolarHBondContact ND2-N 2.94Å; Q286-L329 HydrophobicContact CG-CD2 3.78Å; L329-N331 PolarHBondContact O-N 3.06Å; L329-V335 HydrophobicContact CB-CG2 4.23Å; L329-V335 HydrophobicContact CD1-CB 4.38Å; L329-V335 HydrophobicContact CD1-CG2 3.87Å; L329-V338 HydrophobicContact CD1-CG2 4.13Å; L329-N368 HydrophobicContact CB-CB 4.32Å; L329-N368 PolarHBondContact N-O 3.11Å; L329-N368 WeakPolarHBondContact O-CB 3.47Å; L329-F370 HydrophobicContact CD1-CB 4.34Å
330I98.4Very high98.1Very high10 Ų1040.9 Ų40.95%0.05122%0.22CC..SBendtrans-63.6-30.8-174-170.558.9000113P33 Q98 W155 E183 T184P33-I330 WeakPolarHBondContact CB-O 3.48Å; P33-I330 HydrophobicContact CG-CD1 4.3Å; Q98-I330 HydrophobicContact CG-CD1 4.21Å; W155-I330 HydrophobicContact CD2-CB 4.03Å; W155-I330 HydrophobicContact CD2-CG1 3.82Å; W155-I330 HydrophobicContact CD2-CG2 3.84Å; W155-I330 HydrophobicContact CE3-CB 3.57Å; W155-I330 HydrophobicContact CE3-CD1 4.17Å; W155-I330 HydrophobicContact CE3-CG1 3.62Å; W155-I330 HydrophobicContact CE3-CG2 3.76Å; W155-I330 HydrophobicContact CG-CG1 4.22Å; W155-I330 HydrophobicContact CH2-CB 3.79Å; W155-I330 HydrophobicContact CH2-CG2 3.25Å; W155-I330 HydrophobicContact CZ2-CB 4.26Å; W155-I330 HydrophobicContact CZ2-CG2 3.36Å; W155-I330 HydrophobicContact CZ3-CB 3.46Å; W155-I330 VanDerWaalsContact CZ3-CB 3.46Å; W155-I330 HydrophobicContact CZ3-CG1 4.08Å; W155-I330 HydrophobicContact CZ3-CG2 3.5Å; E183-I330 HydrophobicContact CB-CD1 4.24Å; E183-I330 HydrophobicContact CB-CG1 4.03Å; E183-I330 HydrophobicContact CG-CG1 4.29Å; T184-I330 HydrophobicContact CG2-CD1 4.17Å
331N97.4Very high98.1Very high45 Ų4541.1 Ų41.124%0.24122%0.221CC..SBendtrans-157.5167.1-17762.636.5000112.3L329 A333 G334 V335 N368L329-N331 PolarHBondContact O-N 3.06Å; N331-A333 VanDerWaalsContact C-N 3.28Å; N331-A333 PolarHBondContact O-N 3.31Å; N331-A333 PolarHBondContact OD1-N 3.17Å; N331-G334 PolarHBondContact O-N 3.27Å; N331-G334 VanDerWaalsContact O-N 3.09Å; N331-G334 PolarHBondContact OD1-N 3.05Å; N331-V335 PolarHBondContact O-N 3.46Å; N331-N368 WeakPolarHBondContact CA-ND2 3.41Å
332Q96.9Very high98.2Very high70 Ų7039.6 Ų39.633%0.32721%0.213SC..Hα-helixtrans-62.8-30.9-179179.856.237.700113G334 V335 E336 N368Q332-G334 VanDerWaalsContact C-N 3.29Å; Q332-G334 PolarHBondContact O-N 3.48Å; Q332-V335 WeakPolarHBondContact O-CB 3.35Å; Q332-V335 PolarHBondContact O-N 3.11Å; Q332-V335 VanDerWaalsContact O-N 3.16Å; Q332-E336 WeakPolarHBondContact CG-OE1 3.24Å; Q332-E336 PolarHBondContact NE2-OE1 3.21Å; Q332-E336 VanDerWaalsContact NE2-OE1 3.16Å; Q332-E336 WeakPolarHBondContact O-CG 3.21Å; Q332-E336 PolarHBondContact O-N 3.2Å; Q332-N368 PolarHBondContact N-OD1 3.3Å
333A97.8Very high98.2Very high60 Ų6040.4 Ų40.450%0.49622%0.215SC..Hα-helixtrans-65.1-33.4174.800000112.3N331 K337N331-A333 VanDerWaalsContact C-N 3.28Å; N331-A333 PolarHBondContact O-N 3.31Å; N331-A333 PolarHBondContact OD1-N 3.17Å; A333-K337 WeakPolarHBondContact O-CB 3.44Å; A333-K337 PolarHBondContact O-N 2.9Å
334G97.8Very high98.3Very high18 Ų1838.7 Ų38.719%0.18621%0.206CC..Hα-helixtrans-63.9-43.4171.200000112.1N331 Q332 K337 V338N331-G334 PolarHBondContact O-N 3.27Å; N331-G334 VanDerWaalsContact O-N 3.09Å; N331-G334 PolarHBondContact OD1-N 3.05Å; Q332-G334 VanDerWaalsContact C-N 3.29Å; Q332-G334 PolarHBondContact O-N 3.48Å; G334-K337 PolarHBondContact O-N 2.89Å; G334-V338 WeakPolarHBondContact O-CG2 3.28Å; G334-V338 PolarHBondContact O-N 3.16Å
335V98.5Very high98.3Very high2 Ų238 Ų381%0.01220%0.202CC..Hα-helixtrans-61.1-48.1175.71790000110.8L329 N331 Q332 K337 V338 V339 K358 N368 F370L329-V335 HydrophobicContact CB-CG2 4.23Å; L329-V335 HydrophobicContact CD1-CB 4.38Å; L329-V335 HydrophobicContact CD1-CG2 3.87Å; N331-V335 PolarHBondContact O-N 3.46Å; Q332-V335 WeakPolarHBondContact O-CB 3.35Å; Q332-V335 PolarHBondContact O-N 3.11Å; Q332-V335 VanDerWaalsContact O-N 3.16Å; V335-K337 VanDerWaalsContact C-N 3.34Å; V335-K337 PolarHBondContact O-N 3.42Å; V335-V338 PolarHBondContact O-N 3.02Å; V335-V339 WeakPolarHBondContact O-CG2 3.11Å; V335-V339 PolarHBondContact O-N 3.19Å; V335-K358 HydrophobicContact CG1-CB 4.35Å; V335-K358 HydrophobicContact CG1-CD 3.83Å; V335-K358 HydrophobicContact CG1-CG 3.93Å; V335-N368 HydrophobicContact CG2-CB 3.93Å; V335-F370 HydrophobicContact CG1-CD2 4.18Å
336E98.5Very high98.4Very high94 Ų9437.8 Ų37.844%0.43920%0.2SC..Hα-helixtrans-58.6-45.3179.3-74.5163.2-173.300111.7Q332 V338 V339 E340Q332-E336 WeakPolarHBondContact CG-OE1 3.24Å; Q332-E336 PolarHBondContact NE2-OE1 3.21Å; Q332-E336 VanDerWaalsContact NE2-OE1 3.16Å; Q332-E336 WeakPolarHBondContact O-CG 3.21Å; Q332-E336 PolarHBondContact O-N 3.2Å; E336-V338 VanDerWaalsContact C-N 3.33Å; E336-V338 PolarHBondContact O-N 3.21Å; E336-V339 PolarHBondContact O-N 3.43Å; E336-E340 WeakPolarHBondContact O-CB 3.39Å; E336-E340 WeakPolarHBondContact O-CG 3.22Å; E336-E340 PolarHBondContact O-N 3.34Å
337K98.5Very high98.4Very high76 Ų7643.2 Ų43.233%0.3323%0.229SC..Hα-helixtrans-59.1-42.6177.2-176.8176.7178.4-178.90112.5A333 G334 V335 E340 Q341 E388A333-K337 WeakPolarHBondContact O-CB 3.44Å; A333-K337 PolarHBondContact O-N 2.9Å; G334-K337 PolarHBondContact O-N 2.89Å; V335-K337 VanDerWaalsContact C-N 3.34Å; V335-K337 PolarHBondContact O-N 3.42Å; K337-E340 PolarHBondContact O-N 2.9Å; K337-Q341 WeakPolarHBondContact O-CG 3.42Å; K337-Q341 PolarHBondContact O-N 2.99Å; K337-E388 WeakPolarHBondContact CE-O 3.07Å; K337-E388 PolarHBondContact NZ-O 3.17Å
338V98.7Very high98.5Very high1 Ų147.1 Ų47.11%0.00625%0.246CC..Hα-helixtrans-62.1-47.3176.5172.80000110.5L329 G334 V335 E336 E340 Q341 L342 F370 T389 V393L329-V338 HydrophobicContact CD1-CG2 4.13Å; G334-V338 WeakPolarHBondContact O-CG2 3.28Å; G334-V338 PolarHBondContact O-N 3.16Å; V335-V338 PolarHBondContact O-N 3.02Å; E336-V338 VanDerWaalsContact C-N 3.33Å; E336-V338 PolarHBondContact O-N 3.21Å; V338-E340 VanDerWaalsContact C-N 3.35Å; V338-E340 PolarHBondContact O-N 2.94Å; V338-Q341 PolarHBondContact O-N 2.93Å; V338-L342 HydrophobicContact CG1-CD1 4.02Å; V338-L342 HydrophobicContact CG1-CG 4.43Å; V338-L342 WeakPolarHBondContact O-CG 3.47Å; V338-L342 PolarHBondContact O-N 3.49Å; V338-F370 HydrophobicContact CG1-CD1 3.82Å; V338-F370 HydrophobicContact CG1-CD2 4.28Å; V338-F370 HydrophobicContact CG1-CE1 3.51Å; V338-F370 HydrophobicContact CG1-CE2 4Å; V338-F370 HydrophobicContact CG1-CG 4.21Å; V338-F370 HydrophobicContact CG1-CZ 3.62Å; V338-T389 HydrophobicContact CG2-CG2 3.92Å; V338-V393 HydrophobicContact CG1-CG2 3.69Å
339V98.6Very high98.5Very high69 Ų6949.6 Ų49.642%0.41827%0.272SS..Hα-helixtrans-59.4-45.3177.9172.20000111.4V335 E336 L342 K343 F370V335-V339 WeakPolarHBondContact O-CG2 3.11Å; V335-V339 PolarHBondContact O-N 3.19Å; E336-V339 PolarHBondContact O-N 3.43Å; V339-L342 PolarHBondContact O-N 2.89Å; V339-K343 WeakPolarHBondContact O-CB 3.37Å; V339-K343 PolarHBondContact O-N 3.04Å; V339-F370 HydrophobicContact CG2-CE2 3.66Å; V339-F370 HydrophobicContact CG2-CZ 4.39Å
340E98.7Very high98.5Very high132 Ų13250 Ų5062%0.61728%0.275SS*.Hα-helixtrans-62.1-45178.9-74.4177.6177.300112E336 K337 V338 K343 D344E336-E340 WeakPolarHBondContact O-CB 3.39Å; E336-E340 WeakPolarHBondContact O-CG 3.22Å; E336-E340 PolarHBondContact O-N 3.34Å; K337-E340 PolarHBondContact O-N 2.9Å; V338-E340 VanDerWaalsContact C-N 3.35Å; V338-E340 PolarHBondContact O-N 2.94Å; E340-K343 PolarHBondContact O-N 3.5Å; E340-D344 WeakPolarHBondContact O-CB 3.32Å; E340-D344 PolarHBondContact O-N 2.95Å
341Q98.7Very high98.5Very high4 Ų456.3 Ų56.32%0.01930%0.302CS..Hα-helixtrans-66.4-40178.5-75.2-168.9-21.200112.7K337 V338 D344 A345 I384 E387 T389K337-Q341 WeakPolarHBondContact O-CG 3.42Å; K337-Q341 PolarHBondContact O-N 2.99Å; V338-Q341 PolarHBondContact O-N 2.93Å; Q341-D344 PolarHBondContact O-N 3.26Å; Q341-A345 WeakPolarHBondContact O-CB 3.23Å; Q341-A345 PolarHBondContact O-N 2.88Å; Q341-I384 HydrophobicContact CB-CB 4.3Å; Q341-I384 HydrophobicContact CB-CD1 4.32Å; Q341-I384 HydrophobicContact CB-CG1 4.44Å; Q341-E387 VanDerWaalsContact NE2-CB 3.29Å; Q341-E387 PolarHBondContact NE2-O 3.23Å; Q341-E387 PolarHBondContact NE2-OE2 2.99Å; Q341-T389 VanDerWaalsContact OE1-CA 3.3Å; Q341-T389 VanDerWaalsContact OE1-CB 3.29Å; Q341-T389 PolarHBondContact OE1-OG1 3.34Å
342L98.9Very high98.5Very high6 Ų657.3 Ų57.33%0.03131%0.307CS..Hα-helixtrans-65-42.3175-70.8176.3000111.3V338 V339 A345 T346 F370 T373 L375 V393V338-L342 HydrophobicContact CG1-CD1 4.02Å; V338-L342 HydrophobicContact CG1-CG 4.43Å; V338-L342 WeakPolarHBondContact O-CG 3.47Å; V338-L342 PolarHBondContact O-N 3.49Å; V339-L342 PolarHBondContact O-N 2.89Å; L342-A345 PolarHBondContact O-N 3.19Å; L342-T346 WeakPolarHBondContact O-CB 3.37Å; L342-T346 VanDerWaalsContact O-CG2 3.31Å; L342-T346 WeakPolarHBondContact O-CG2 3.3Å; L342-T346 PolarHBondContact O-N 3.21Å; L342-T346 PolarHBondContact O-OG1 2.9Å; L342-F370 HydrophobicContact CD1-CE1 3.79Å; L342-F370 HydrophobicContact CD1-CZ 3.6Å; L342-T373 HydrophobicContact CD1-CG2 4.18Å; L342-T373 HydrophobicContact CD2-CG2 3.9Å; L342-L375 HydrophobicContact CD2-CB 4.39Å; L342-L375 HydrophobicContact CD2-CD1 4.2Å; L342-L375 HydrophobicContact CD2-CD2 4.18Å; L342-V393 HydrophobicContact CD2-CG1 3.9Å; L342-V393 HydrophobicContact CD2-CG2 4.26Å; L342-V393 HydrophobicContact CG-CG2 4.5Å
343K98.8Very high98.6Very high121 Ų12157.3 Ų57.353%0.52631%0.308SS..Hα-helixtrans-61.1-49.5175.6-174.1-176178.9-59.20111.3V339 E340 A345 T346 D347V339-K343 WeakPolarHBondContact O-CB 3.37Å; V339-K343 PolarHBondContact O-N 3.04Å; E340-K343 PolarHBondContact O-N 3.5Å; K343-A345 VanDerWaalsContact C-N 3.31Å; K343-A345 PolarHBondContact O-N 2.91Å; K343-T346 PolarHBondContact O-N 3.11Å; K343-T346 PolarHBondContact O-OG1 3.47Å; K343-T346 VanDerWaalsContact O-OG1 3.07Å; K343-D347 IonicContact NZ-OD2 2.75Å; K343-D347 PolarHBondContact NZ-OD2 3.2Å; K343-D347 WeakPolarHBondContact O-CB 3.48Å; K343-D347 VanDerWaalsContact O-CG 3.3Å; K343-D347 PolarHBondContact O-N 2.86Å
344D98.9Very high98.7Very high32 Ų3255.3 Ų55.317%0.17129%0.292CS..Hα-helixtrans-55.4-46.7177.4179.772.3000112E340 Q341 K348 N383E340-D344 WeakPolarHBondContact O-CB 3.32Å; E340-D344 PolarHBondContact O-N 2.95Å; Q341-D344 PolarHBondContact O-N 3.26Å; D344-K348 WeakPolarHBondContact O-CB 3.4Å; D344-K348 WeakPolarHBondContact O-CD 3.45Å; D344-K348 VanDerWaalsContact O-CG 3.31Å; D344-K348 WeakPolarHBondContact O-CG 3.42Å; D344-K348 PolarHBondContact O-N 3.15Å; D344-K348 WeakPolarHBondContact OD1-CE 3.24Å; D344-K348 IonicContact OD1-NZ 3.9Å; D344-K348 PolarHBondContact OD1-NZ 3.13Å; D344-K348 IonicContact OD2-NZ 3.16Å; D344-K348 PolarHBondContact OD2-NZ 3.47Å; D344-N383 PolarHBondContact OD2-N 3.43Å; D344-N383 PolarHBondContact OD2-OD1 3.01Å
345A98.9Very high98.7Very high0 Ų055.6 Ų55.60%030%0.295CS..Hα-helixtrans-66.9-44-179.100000112.6Q341 L342 K343 K348 G349 A350 L375 M382 I384Q341-A345 WeakPolarHBondContact O-CB 3.23Å; Q341-A345 PolarHBondContact O-N 2.88Å; L342-A345 PolarHBondContact O-N 3.19Å; K343-A345 VanDerWaalsContact C-N 3.31Å; K343-A345 PolarHBondContact O-N 2.91Å; A345-K348 CarbonylContact O-C 3.54Å; A345-K348 PolarHBondContact O-N 3.47Å; A345-G349 PolarHBondContact O-N 3.49Å; A345-G349 VanDerWaalsContact O-N 3.13Å; A345-A350 HydrophobicContact CB-CB 3.89Å; A345-A350 VanDerWaalsContact O-CB 3.31Å; A345-A350 WeakPolarHBondContact O-CB 3.43Å; A345-A350 PolarHBondContact O-N 3.09Å; A345-L375 HydrophobicContact CB-CD1 4.37Å; A345-L375 HydrophobicContact CB-CD2 3.6Å; A345-L375 HydrophobicContact CB-CG 4.5Å; A345-M382 HydrophobicContact CB-CB 4.34Å; A345-M382 HydrophobicContact CB-CG 4.29Å; A345-M382 HydrophobicContact CB-SD 3.71Å; A345-I384 HydrophobicContact CB-CG2 4.23Å
346T98.8Very high98.6Very high52 Ų5256.1 Ų56.132%0.31930%0.301SS..Hα-helixtrans-68.5-38.3179.653.60000112.6L342 K343 K348 G349 I352 L375L342-T346 WeakPolarHBondContact O-CB 3.37Å; L342-T346 VanDerWaalsContact O-CG2 3.31Å; L342-T346 WeakPolarHBondContact O-CG2 3.3Å; L342-T346 PolarHBondContact O-N 3.21Å; L342-T346 PolarHBondContact O-OG1 2.9Å; K343-T346 PolarHBondContact O-N 3.11Å; K343-T346 PolarHBondContact O-OG1 3.47Å; K343-T346 VanDerWaalsContact O-OG1 3.07Å; T346-K348 PolarHBondContact O-N 2.8Å; T346-G349 PolarHBondContact O-N 3.03Å; T346-I352 HydrophobicContact CG2-CD1 4.01Å; T346-I352 HydrophobicContact CG2-CG1 3.93Å; T346-L375 HydrophobicContact CG2-CD1 4.29Å
347D98.8Very high98.6Very high114 Ų11457.5 Ų57.561%0.6131%0.307SS*.Hα-helixtrans-60.7-28.5172.5-75.6-18.3000111.8K343K343-D347 IonicContact NZ-OD2 2.75Å; K343-D347 PolarHBondContact NZ-OD2 3.2Å; K343-D347 WeakPolarHBondContact O-CB 3.48Å; K343-D347 VanDerWaalsContact O-CG 3.3Å; K343-D347 PolarHBondContact O-N 2.86Å
348K98.8Very high98.6Very high82 Ų8257 Ų5736%0.35731%0.305SS..THydrogen-bonded Turntrans-94.58.1176.4-66.2169.8-177.7167.80113.8D344 A345 T346 E381 M382D344-K348 WeakPolarHBondContact O-CB 3.4Å; D344-K348 WeakPolarHBondContact O-CD 3.45Å; D344-K348 VanDerWaalsContact O-CG 3.31Å; D344-K348 WeakPolarHBondContact O-CG 3.42Å; D344-K348 PolarHBondContact O-N 3.15Å; D344-K348 WeakPolarHBondContact OD1-CE 3.24Å; D344-K348 IonicContact OD1-NZ 3.9Å; D344-K348 PolarHBondContact OD1-NZ 3.13Å; D344-K348 IonicContact OD2-NZ 3.16Å; D344-K348 PolarHBondContact OD2-NZ 3.47Å; A345-K348 CarbonylContact O-C 3.54Å; A345-K348 PolarHBondContact O-N 3.47Å; T346-K348 PolarHBondContact O-N 2.8Å; K348-E381 VanDerWaalsContact CD-O 3.29Å; K348-E381 WeakPolarHBondContact CD-O 3.5Å; K348-E381 WeakPolarHBondContact CE-O 3.26Å; K348-E381 PolarHBondContact NZ-O 3.37Å; K348-M382 HydrophobicContact CB-CE 3.99Å; K348-M382 HydrophobicContact CB-CG 4.02Å; K348-M382 HydrophobicContact CD-CG 4.04Å; K348-M382 WeakPolarHBondContact O-CE 3.21Å
349G98.6Very high98.5Very high54 Ų5458.6 Ų58.656%0.55731%0.313SS*.THydrogen-bonded Turntrans102.71.5168.800000116.7A345 T346A345-G349 PolarHBondContact O-N 3.49Å; A345-G349 VanDerWaalsContact O-N 3.13Å; T346-G349 PolarHBondContact O-N 3.03Å
350A98.7Very high98.3Very high7 Ų759.8 Ų59.86%0.05832%0.317CS..  trans-66159.1168.900000111.3A345 L375 D376 M382A345-A350 HydrophobicContact CB-CB 3.89Å; A345-A350 VanDerWaalsContact O-CB 3.31Å; A345-A350 WeakPolarHBondContact O-CB 3.43Å; A345-A350 PolarHBondContact O-N 3.09Å; A350-L375 HydrophobicContact CB-CD1 3.74Å; A350-L375 HydrophobicContact CB-CD2 4.42Å; A350-L375 HydrophobicContact CB-CG 4.04Å; A350-D376 CarbonylContact C-O 3.53Å; A350-D376 VanDerWaalsContact CA-O 3.25Å; A350-D376 WeakPolarHBondContact CA-O 3.12Å; A350-D376 VanDerWaalsContact CB-O 3.3Å; A350-D376 WeakPolarHBondContact CB-O 3.3Å; A350-M382 HydrophobicContact CB-CE 3.72Å; A350-M382 HydrophobicContact CB-SD 3.78Å
351K98.8Very high98.1Very high144 Ų14460.9 Ų60.963%0.62632%0.322SS*.EExtended strand (participates in β ladder)trans-124.5130.4-179.2-64.4179.5-175.9173.10110.8L353 D376K351-L353 HydrophobicContact CB-CD2 4.38Å; K351-L353 PolarHBondContact O-N 3.27Å; K351-D376 PolarHBondContact N-O 3.14Å; K351-D376 PolarHBondContact O-N 3.06Å
352I98.8Very high97.9Very high65 Ų6564 Ų6433%0.33336%0.356SS..EExtended strand (participates in β ladder)trans-77.4119168.7-61.4170.9000107.4T346 G355 T373 L375T346-I352 HydrophobicContact CG2-CD1 4.01Å; T346-I352 HydrophobicContact CG2-CG1 3.93Å; I352-G355 VanDerWaalsContact CG2-O 3.31Å; I352-G355 WeakPolarHBondContact CG2-O 3.44Å; I352-T373 HydrophobicContact CG2-CG2 4.23Å; I352-L375 HydrophobicContact CG1-CD1 3.92Å
353L98.7Very high97.6Very high70 Ų7070.3 Ų70.337%0.36639%0.385SS..EExtended strand (participates in β ladder)trans-92.2-28179.4-59.7-172.9000112.4T305 V309 K351 V374 D376T305-L353 HydrophobicContact CG2-CD1 3.34Å; V309-L353 HydrophobicContact CG2-CB 3.82Å; V309-L353 HydrophobicContact CG2-CD1 4.05Å; K351-L353 HydrophobicContact CB-CD2 4.38Å; K351-L353 PolarHBondContact O-N 3.27Å; L353-V374 HydrophobicContact CB-CB 4.38Å; L353-V374 HydrophobicContact CB-CG1 4.19Å; L353-V374 HydrophobicContact CD1-CG1 4.15Å; L353-V374 HydrophobicContact CG-CG1 4.45Å; L353-V374 PolarHBondContact N-O 3.31Å; L353-D376 HydrophobicContact CD1-CB 3.62Å; L353-D376 HydrophobicContact CD2-CB 4.25Å; L353-D376 HydrophobicContact CG-CB 3.81Å
354A98.5Very high97.6Very high19 Ų1967 Ų6716%0.15737%0.37CS..EExtended strand (participates in β ladder)trans-161.1152.6175.600000109.8V309 I312 T373 V374V309-A354 HydrophobicContact CG1-CB 4.27Å; I312-A354 HydrophobicContact CD1-CB 3.53Å; I312-A354 HydrophobicContact CG1-CB 4.3Å; A354-T373 VanDerWaalsContact O-CA 3.31Å; A354-T373 WeakPolarHBondContact O-CA 3.36Å; A354-V374 PolarHBondContact O-N 3.11Å
355G98.1Very high97.4Very high24 Ų2467.8 Ų67.825%0.24738%0.38CS..  trans68.9-143.1-173.700000112.8I352 E371 P372I352-G355 VanDerWaalsContact CG2-O 3.31Å; I352-G355 WeakPolarHBondContact CG2-O 3.44Å; G355-E371 VanDerWaalsContact C-OE2 3.26Å; G355-E371 WeakPolarHBondContact CA-OE2 3.21Å; G355-P372 WeakPolarHBondContact CA-O 3.39Å
356G97.8Very high97.2Very high12 Ų1273.9 Ų73.912%0.12441%0.413CS..  trans101.71.5173.800000115.1T373G356-T373 WeakPolarHBondContact CA-OG1 3.18Å; G356-T373 PolarHBondContact N-OG1 2.85Å
357H97.8Very high97.1Very high124 Ų12471.5 Ų71.557%0.57440%0.399SS*.  trans-120.4147.7-177.1-55.5-62.8000113.2E371H357-E371 WeakPolarHBondContact CB-OE2 3.15Å; H357-E371 IonicContact CD2-OE2 3.61Å; H357-E371 PolarHBondContact CD2-OE2 3.41Å; H357-E371 IonicContact CG-OE2 2.75Å; H357-E371 PolarHBondContact N-OE2 3.32Å; H357-E371 WeakPolarHBondContact O-CG 3.44Å; H357-E371 PolarHBondContact O-N 2.93Å
358K97.6Very high97.1Very high66 Ų6667.3 Ų67.329%0.28738%0.376SS..EExtended strand (participates in β ladder)trans-66.1137.8162.4-175.8-176.1177.1173.30107.6V335 D360 F369 F370V335-K358 HydrophobicContact CG1-CB 4.35Å; V335-K358 HydrophobicContact CG1-CD 3.83Å; V335-K358 HydrophobicContact CG1-CG 3.93Å; K358-D360 HydrophobicContact CD-CB 4.37Å; K358-D360 HydrophobicContact CG-CB 4.47Å; K358-F369 WeakPolarHBondContact CG-O 3.46Å; K358-F370 HydrophobicContact CB-CD2 4.15Å; K358-F370 HydrophobicContact CB-CE2 4.29Å
359L97.5Very high97.1Very high33 Ų3363.5 Ų63.517%0.17336%0.36CS..EExtended strand (participates in β ladder)trans-93.1115.3169.4-60.9173.1000107.8V317 Y364 F369 E371V317-L359 HydrophobicContact CB-CD1 4.25Å; V317-L359 HydrophobicContact CG1-CD1 3.89Å; L359-Y364 HydrophobicContact CB-CD1 4.33Å; L359-Y364 HydrophobicContact CB-CD2 3.96Å; L359-Y364 HydrophobicContact CB-CG 3.76Å; L359-Y364 HydrophobicContact CD1-CD1 4.27Å; L359-Y364 HydrophobicContact CD1-CD2 4.36Å; L359-Y364 HydrophobicContact CD1-CE1 4.18Å; L359-Y364 HydrophobicContact CD1-CE2 4.29Å; L359-Y364 HydrophobicContact CD1-CG 4.35Å; L359-F369 HydrophobicContact CB-CB 3.77Å; L359-F369 HydrophobicContact CD1-CB 4.23Å; L359-F369 HydrophobicContact CG-CB 4.49Å; L359-F369 PolarHBondContact N-O 3Å; L359-E371 HydrophobicContact CD1-CG 4.28Å; L359-E371 HydrophobicContact CD2-CG 3.63Å; L359-E371 HydrophobicContact CG-CG 3.89Å
360D94.5Very high97.1Very high94 Ų9461 Ų6150%0.50333%0.333SS..  trans-137.413.7-173.760.5-1.9000113.4K358 A365K358-D360 HydrophobicContact CD-CB 4.37Å; K358-D360 HydrophobicContact CG-CB 4.47Å; D360-A365 WeakPolarHBondContact O-CA 3.35Å
361E94.8Very high97.1Very high156 Ų15663.4 Ų63.473%0.72934%0.344SS*.SBendtrans-112.7156.5175.7-64.2-170.5-179.700112.1E363 Y364E361-E363 PolarHBondContact O-N 2.68Å; E361-Y364 WeakPolarHBondContact O-CB 3.48Å; E361-Y364 WeakPolarHBondContact O-CD2 3.42Å; E361-Y364 PolarHBondContact O-N 2.92Å; E361-Y364 VanDerWaalsContact O-N 3.08Å
362G94.7Very high97.1Very high70 Ų7057.2 Ų57.272%0.72232%0.318SS*.G310 helixtrans60.9-126.1172.600000113Y364 A365G362-Y364 PolarHBondContact O-N 3.4Å; G362-A365 WeakPolarHBondContact O-CB 3.36Å; G362-A365 PolarHBondContact O-N 3.1Å
363E92.8Very high97.1Very high137 Ų13754.1 Ų54.164%0.6430%0.302SS*.G310 helixtrans-69.3-12.2179.166.7-165.5120.900114E361E361-E363 PolarHBondContact O-N 2.68Å
364Y97Very high97.1Very high53 Ų5350.8 Ų50.821%0.20829%0.285CS..G310 helixtrans-94.3-8.4179.4-50.7-67.1000113.5V317 L359 E361 G362 D366 G367 F369V317-Y364 HydrophobicContact CG1-CE1 4.38Å; V317-Y364 PolarHBondContact O-OH 2.8Å; L359-Y364 HydrophobicContact CB-CD1 4.33Å; L359-Y364 HydrophobicContact CB-CD2 3.96Å; L359-Y364 HydrophobicContact CB-CG 3.76Å; L359-Y364 HydrophobicContact CD1-CD1 4.27Å; L359-Y364 HydrophobicContact CD1-CD2 4.36Å; L359-Y364 HydrophobicContact CD1-CE1 4.18Å; L359-Y364 HydrophobicContact CD1-CE2 4.29Å; L359-Y364 HydrophobicContact CD1-CG 4.35Å; E361-Y364 WeakPolarHBondContact O-CB 3.48Å; E361-Y364 WeakPolarHBondContact O-CD2 3.42Å; E361-Y364 PolarHBondContact O-N 2.92Å; E361-Y364 VanDerWaalsContact O-N 3.08Å; G362-Y364 PolarHBondContact O-N 3.4Å; Y364-D366 VanDerWaalsContact C-N 3.29Å; Y364-D366 PolarHBondContact O-N 2.88Å; Y364-D366 VanDerWaalsContact O-N 3.15Å; Y364-G367 PolarHBondContact O-N 2.89Å; Y364-F369 HydrophobicContact CD1-CB 3.97Å; Y364-F369 HydrophobicContact CD1-CD1 4.11Å; Y364-F369 AromaticContact CD1-CD2 3.56Å; Y364-F369 HydrophobicContact CD1-CD2 3.56Å; Y364-F369 HydrophobicContact CD1-CE1 4.5Å; Y364-F369 AromaticContact CD1-CE2 3.94Å; Y364-F369 HydrophobicContact CD1-CE2 3.94Å; Y364-F369 AromaticContact CD1-CG 3.61Å; Y364-F369 HydrophobicContact CD1-CG 3.61Å; Y364-F369 HydrophobicContact CD1-CZ 4.4Å; Y364-F369 HydrophobicContact CE1-CG 4.43Å; Y364-F369 HydrophobicContact CG-CB 4.4Å; Y364-F369 HydrophobicContact CG-CD2 4.16Å; Y364-F369 HydrophobicContact CG-CG 4.37Å
365A94.8Very high97.1Very high48 Ų4849.9 Ų49.940%0.39728%0.277SS..THydrogen-bonded Turntrans-55.5-38.2-165.700000114.9D360 G362D360-A365 WeakPolarHBondContact O-CA 3.35Å; G362-A365 WeakPolarHBondContact O-CB 3.36Å; G362-A365 PolarHBondContact O-N 3.1Å
366D95.1Very high97.1Very high127 Ų12750.6 Ų50.668%0.67928%0.276SS*.THydrogen-bonded Turntrans-103.54.9-177.2-60.7-53.8000113.1T35 G36 Y364T35-D366 CarbonylContact C-O 3.49Å; T35-D366 VanDerWaalsContact O-CB 3.23Å; T35-D366 WeakPolarHBondContact O-CB 3.21Å; G36-D366 WeakPolarHBondContact CA-O 3.35Å; G36-D366 PolarHBondContact N-O 2.67Å; Y364-D366 VanDerWaalsContact C-N 3.29Å; Y364-D366 PolarHBondContact O-N 2.88Å; Y364-D366 VanDerWaalsContact O-N 3.15Å
367G97Very high97.2Very high3 Ų351.8 Ų51.83%0.03129%0.287CS..SBendtrans-105.7166.1-178.400000114.1P33 A34 Y364 F369P33-G367 WeakPolarHBondContact O-CA 3.48Å; A34-G367 WeakPolarHBondContact O-CA 3.35Å; Y364-G367 PolarHBondContact O-N 2.89Å; G367-F369 VanDerWaalsContact C-N 3.3Å; G367-F369 PolarHBondContact O-N 3.03Å
368N98.4Very high97.2Very high25 Ų2546.1 Ų46.113%0.13426%0.262CS..  trans-92.355.6177-63.9-54.3000111.3P33 P328 L329 N331 Q332 V335P33-N368 PolarHBondContact O-N 2.72Å; P33-N368 PolarHBondContact O-ND2 3.24Å; P328-N368 WeakPolarHBondContact CA-O 3.49Å; P328-N368 HydrophobicContact CB-CB 4.32Å; L329-N368 HydrophobicContact CB-CB 4.32Å; L329-N368 PolarHBondContact N-O 3.11Å; L329-N368 WeakPolarHBondContact O-CB 3.47Å; N331-N368 WeakPolarHBondContact CA-ND2 3.41Å; Q332-N368 PolarHBondContact N-OD1 3.3Å; V335-N368 HydrophobicContact CG2-CB 3.93Å
369F98.7Very high97.3Very high2 Ų245.9 Ų45.91%0.00927%0.266CS..EExtended strand (participates in β ladder)trans-91.7143.9-174.6-65.9-74.5000113.1A34 V317 G318 P328 K358 L359 Y364 G367A34-F369 HydrophobicContact CB-CE2 4.37Å; A34-F369 HydrophobicContact CB-CZ 3.77Å; A34-F369 VanDerWaalsContact O-CE2 3.24Å; A34-F369 WeakPolarHBondContact O-CE2 3.38Å; V317-F369 HydrophobicContact CG1-CD1 3.85Å; G318-F369 VanDerWaalsContact C-CE1 3.44Å; G318-F369 VanDerWaalsContact O-CE1 3.26Å; G318-F369 WeakPolarHBondContact O-CE1 3.45Å; P328-F369 HydrophobicContact CB-CD1 3.91Å; P328-F369 HydrophobicContact CB-CE1 3.72Å; P328-F369 HydrophobicContact CB-CG 4.45Å; P328-F369 HydrophobicContact CB-CZ 4.15Å; P328-F369 HydrophobicContact CG-CE1 4.24Å; K358-F369 WeakPolarHBondContact CG-O 3.46Å; L359-F369 HydrophobicContact CB-CB 3.77Å; L359-F369 HydrophobicContact CD1-CB 4.23Å; L359-F369 HydrophobicContact CG-CB 4.49Å; L359-F369 PolarHBondContact N-O 3Å; Y364-F369 HydrophobicContact CD1-CB 3.97Å; Y364-F369 HydrophobicContact CD1-CD1 4.11Å; Y364-F369 AromaticContact CD1-CD2 3.56Å; Y364-F369 HydrophobicContact CD1-CD2 3.56Å; Y364-F369 HydrophobicContact CD1-CE1 4.5Å; Y364-F369 AromaticContact CD1-CE2 3.94Å; Y364-F369 HydrophobicContact CD1-CE2 3.94Å; Y364-F369 AromaticContact CD1-CG 3.61Å; Y364-F369 HydrophobicContact CD1-CG 3.61Å; Y364-F369 HydrophobicContact CD1-CZ 4.4Å; Y364-F369 HydrophobicContact CE1-CG 4.43Å; Y364-F369 HydrophobicContact CG-CB 4.4Å; Y364-F369 HydrophobicContact CG-CD2 4.16Å; Y364-F369 HydrophobicContact CG-CG 4.37Å; G367-F369 VanDerWaalsContact C-N 3.3Å; G367-F369 PolarHBondContact O-N 3.03Å
370F98.7Very high97.3Very high1 Ų147.6 Ų47.60%0.00427%0.272CS..EExtended strand (participates in β ladder)trans-144.6141.6179-157.4-85.5000109.8L329 V335 V338 V339 L342 K358 P392L329-F370 HydrophobicContact CD1-CB 4.34Å; V335-F370 HydrophobicContact CG1-CD2 4.18Å; V338-F370 HydrophobicContact CG1-CD1 3.82Å; V338-F370 HydrophobicContact CG1-CD2 4.28Å; V338-F370 HydrophobicContact CG1-CE1 3.51Å; V338-F370 HydrophobicContact CG1-CE2 4Å; V338-F370 HydrophobicContact CG1-CG 4.21Å; V338-F370 HydrophobicContact CG1-CZ 3.62Å; V339-F370 HydrophobicContact CG2-CE2 3.66Å; V339-F370 HydrophobicContact CG2-CZ 4.39Å; L342-F370 HydrophobicContact CD1-CE1 3.79Å; L342-F370 HydrophobicContact CD1-CZ 3.6Å; K358-F370 HydrophobicContact CB-CD2 4.15Å; K358-F370 HydrophobicContact CB-CE2 4.29Å; F370-P392 HydrophobicContact CB-CG 4.19Å; F370-P392 HydrophobicContact CD1-CG 4.17Å
371E98.4Very high97.5Very high59 Ų5950.2 Ų50.228%0.27628%0.281SS..  trans-68.4136.9-179.1-68.4-178132.400112.3G355 H357 L359 T373G355-E371 VanDerWaalsContact C-OE2 3.26Å; G355-E371 WeakPolarHBondContact CA-OE2 3.21Å; H357-E371 WeakPolarHBondContact CB-OE2 3.15Å; H357-E371 IonicContact CD2-OE2 3.61Å; H357-E371 PolarHBondContact CD2-OE2 3.41Å; H357-E371 IonicContact CG-OE2 2.75Å; H357-E371 PolarHBondContact N-OE2 3.32Å; H357-E371 WeakPolarHBondContact O-CG 3.44Å; H357-E371 PolarHBondContact O-N 2.93Å; L359-E371 HydrophobicContact CD1-CG 4.28Å; L359-E371 HydrophobicContact CD2-CG 3.63Å; L359-E371 HydrophobicContact CG-CG 3.89Å; E371-T373 PolarHBondContact O-N 3.35Å; E371-T373 VanDerWaalsContact O-N 3.11Å; E371-T373 PolarHBondContact O-OG1 2.93Å
372P98.7Very high97.7Very high14 Ų1442.9 Ų42.99%0.09125%0.247CC..  trans-47.7119.4160.5-3038000111F281 I312 L315 V317 V326 G355F281-P372 HydrophobicContact CD1-CB 4.44Å; F281-P372 HydrophobicContact CE1-CB 3.62Å; F281-P372 HydrophobicContact CE1-CG 4.16Å; F281-P372 HydrophobicContact CZ-CB 3.84Å; I312-P372 HydrophobicContact CB-CB 4.34Å; I312-P372 WeakPolarHBondContact CD1-O 3.39Å; L315-P372 HydrophobicContact CB-CG 4.26Å; L315-P372 HydrophobicContact CD1-CB 3.85Å; L315-P372 HydrophobicContact CD1-CG 4.01Å; V317-P372 HydrophobicContact CG2-CG 3.96Å; V326-P372 HydrophobicContact CG2-CG 4.16Å; G355-P372 WeakPolarHBondContact CA-O 3.39Å
373T98.9Very high97.9Very high0 Ų042.6 Ų42.60%023%0.229CC..EExtended strand (participates in β ladder)trans-121.9134.8-167.1-60.80000111.3L342 I352 A354 G356 E371 P392 V393 I394L342-T373 HydrophobicContact CD1-CG2 4.18Å; L342-T373 HydrophobicContact CD2-CG2 3.9Å; I352-T373 HydrophobicContact CG2-CG2 4.23Å; A354-T373 VanDerWaalsContact O-CA 3.31Å; A354-T373 WeakPolarHBondContact O-CA 3.36Å; G356-T373 WeakPolarHBondContact CA-OG1 3.18Å; G356-T373 PolarHBondContact N-OG1 2.85Å; E371-T373 PolarHBondContact O-N 3.35Å; E371-T373 VanDerWaalsContact O-N 3.11Å; E371-T373 PolarHBondContact O-OG1 2.93Å; T373-P392 PolarHBondContact N-O 3.43Å; T373-V393 HydrophobicContact CG2-CG1 4.3Å; T373-V393 CarbonylContact O-C 3.46Å; T373-V393 WeakPolarHBondContact O-CA 3.49Å; T373-I394 PolarHBondContact O-N 2.82Å
374V98.9Very high98.1Very high0 Ų036 Ų360%020%0.198CC..EExtended strand (participates in β ladder)trans-111.8120.8169.31760000108.8I308 V309 I312 L353 A354 I394 L396I308-V374 HydrophobicContact CG2-CG1 4.48Å; I308-V374 HydrophobicContact CG2-CG2 3.64Å; V309-V374 HydrophobicContact CG2-CB 4.31Å; V309-V374 HydrophobicContact CG2-CG1 4.07Å; V309-V374 HydrophobicContact CG2-CG2 4.44Å; I312-V374 HydrophobicContact CD1-CB 4.33Å; I312-V374 HydrophobicContact CD1-CG2 3.5Å; I312-V374 HydrophobicContact CG1-CG2 4Å; I312-V374 HydrophobicContact CG2-CG2 4.22Å; L353-V374 HydrophobicContact CB-CB 4.38Å; L353-V374 HydrophobicContact CB-CG1 4.19Å; L353-V374 HydrophobicContact CD1-CG1 4.15Å; L353-V374 HydrophobicContact CG-CG1 4.45Å; L353-V374 PolarHBondContact N-O 3.31Å; A354-V374 PolarHBondContact O-N 3.11Å; V374-I394 HydrophobicContact CG2-CB 4.34Å; V374-L396 HydrophobicContact CG1-CD1 3.7Å; V374-L396 HydrophobicContact CG1-CG 4.15Å
375L98.9Very high98.2Very high0 Ų033.7 Ų33.70%019%0.189CC..EExtended strand (participates in β ladder)trans-114.6117.2-179.8-178.574.5000109L342 A345 T346 A350 I352 V378 I384 V393 I394 L396L342-L375 HydrophobicContact CD2-CB 4.39Å; L342-L375 HydrophobicContact CD2-CD1 4.2Å; L342-L375 HydrophobicContact CD2-CD2 4.18Å; A345-L375 HydrophobicContact CB-CD1 4.37Å; A345-L375 HydrophobicContact CB-CD2 3.6Å; A345-L375 HydrophobicContact CB-CG 4.5Å; T346-L375 HydrophobicContact CG2-CD1 4.29Å; A350-L375 HydrophobicContact CB-CD1 3.74Å; A350-L375 HydrophobicContact CB-CD2 4.42Å; A350-L375 HydrophobicContact CB-CG 4.04Å; I352-L375 HydrophobicContact CG1-CD1 3.92Å; L375-V378 HydrophobicContact CD2-CG2 3.68Å; L375-V378 HydrophobicContact CG-CG2 3.92Å; L375-I384 HydrophobicContact CD2-CD1 4Å; L375-I384 HydrophobicContact CD2-CG2 4.1Å; L375-V393 HydrophobicContact CB-CG1 4.17Å; L375-I394 PolarHBondContact N-O 3.35Å; L375-L396 PolarHBondContact O-N 2.92Å
376D98.9Very high98.4Very high39 Ų3935.4 Ų35.421%0.20919%0.186CC..EExtended strand (participates in β ladder)trans-105.7154.7-178.7-171.638.3000113K301 A350 K351 L353 L396K301-D376 VanDerWaalsContact CE-OD1 3.24Å; K301-D376 WeakPolarHBondContact CE-OD1 3.46Å; K301-D376 IonicContact NZ-OD1 3.17Å; K301-D376 PolarHBondContact NZ-OD1 2.77Å; A350-D376 CarbonylContact C-O 3.53Å; A350-D376 VanDerWaalsContact CA-O 3.25Å; A350-D376 WeakPolarHBondContact CA-O 3.12Å; A350-D376 VanDerWaalsContact CB-O 3.3Å; A350-D376 WeakPolarHBondContact CB-O 3.3Å; K351-D376 PolarHBondContact N-O 3.14Å; K351-D376 PolarHBondContact O-N 3.06Å; L353-D376 HydrophobicContact CD1-CB 3.62Å; L353-D376 HydrophobicContact CD2-CB 4.25Å; L353-D376 HydrophobicContact CG-CB 3.81Å; D376-L396 HydrophobicContact CB-CD1 4.39Å
377G98.6Very high98.5Very high36 Ų3633.6 Ų33.637%0.37117%0.173SC..SBendtrans76.930.8179.900000113.4T379 M382 L396G377-T379 PolarHBondContact O-N 2.84Å; G377-M382 WeakPolarHBondContact O-CE 3.5Å; G377-L396 PolarHBondContact N-O 2.79Å
378V98.9Very high98.6Very high6 Ų634.8 Ų34.84%0.03618%0.178CC..  trans-70.4129.7179176.80000110L375 M382 I384 F385 P395 L396 I397L375-V378 HydrophobicContact CD2-CG2 3.68Å; L375-V378 HydrophobicContact CG-CG2 3.92Å; V378-M382 HydrophobicContact CB-SD 4.38Å; V378-M382 HydrophobicContact CG1-SD 4.32Å; V378-I384 HydrophobicContact CG1-CG2 3.87Å; V378-I384 HydrophobicContact CG2-CG2 4.38Å; V378-F385 HydrophobicContact CG1-CB 4.27Å; V378-F385 HydrophobicContact CG1-CD2 4.34Å; V378-P395 HydrophobicContact CB-CB 4.46Å; V378-P395 HydrophobicContact CG1-CB 4.4Å; V378-P395 HydrophobicContact CG2-CB 3.78Å; V378-L396 WeakPolarHBondContact CB-O 3.42Å; V378-L396 PolarHBondContact N-O 3.01Å; V378-I397 HydrophobicContact CB-CG1 3.85Å; V378-I397 HydrophobicContact CG1-CD1 4.46Å; V378-I397 HydrophobicContact CG1-CG1 3.98Å
379T98.6Very high98.5Very high60 Ų6033.7 Ų33.737%0.36817%0.172SC..  trans-122.8168.118074.70000111G377 E381 M382 F385G377-T379 PolarHBondContact O-N 2.84Å; T379-E381 PolarHBondContact O-N 2.97Å; T379-E381 VanDerWaalsContact O-N 3.07Å; T379-E381 PolarHBondContact OG1-N 3.1Å; T379-M382 HydrophobicContact CG2-CE 4.18Å; T379-M382 PolarHBondContact O-N 3.48Å; T379-M382 VanDerWaalsContact O-N 3.12Å; T379-F385 WeakPolarHBondContact O-CB 3.42Å
380K98.4Very high98.5Very high70 Ų7035.4 Ų35.430%0.30418%0.18SC..THydrogen-bonded Turntrans-63.3-8174.5-60.7-167.7175.6-156.20114.3M382 F385 Y386 D408 D411K380-M382 VanDerWaalsContact C-N 3.3Å; K380-F385 HydrophobicContact CD-CE1 4.45Å; K380-F385 HydrophobicContact CD-CZ 4.44Å; K380-F385 HydrophobicContact CG-CD1 4.22Å; K380-F385 HydrophobicContact CG-CD2 4.46Å; K380-F385 HydrophobicContact CG-CE1 3.88Å; K380-F385 HydrophobicContact CG-CE2 4.1Å; K380-F385 HydrophobicContact CG-CZ 3.82Å; K380-Y386 HydrophobicContact CB-CE2 4.41Å; K380-Y386 VanDerWaalsContact O-CE2 3.23Å; K380-Y386 WeakPolarHBondContact O-CE2 3.3Å; K380-D408 VanDerWaalsContact CE-CG 3.47Å; K380-D408 WeakPolarHBondContact CE-OD1 3.42Å; K380-D408 IonicContact NZ-OD1 3.76Å; K380-D408 PolarHBondContact NZ-OD1 2.7Å; K380-D411 IonicContact NZ-OD2 3.23Å; K380-D411 PolarHBondContact NZ-OD2 2.8Å
381E98.4Very high98.5Very high148 Ų14835.3 Ų35.369%0.69218%0.179SC*.THydrogen-bonded Turntrans-83.3-12.5175.9-63.1-177.4175.800112.1K348 T379K348-E381 VanDerWaalsContact CD-O 3.29Å; K348-E381 WeakPolarHBondContact CD-O 3.5Å; K348-E381 WeakPolarHBondContact CE-O 3.26Å; K348-E381 PolarHBondContact NZ-O 3.37Å; T379-E381 PolarHBondContact O-N 2.97Å; T379-E381 VanDerWaalsContact O-N 3.07Å; T379-E381 PolarHBondContact OG1-N 3.1Å
382M98.7Very high98.5Very high2 Ų232.5 Ų32.51%0.0117%0.166CC..SBendtrans-96.8139-171.9-55.7175.7-176.200111.4A345 K348 A350 G377 V378 T379 K380 I384 F385A345-M382 HydrophobicContact CB-CB 4.34Å; A345-M382 HydrophobicContact CB-CG 4.29Å; A345-M382 HydrophobicContact CB-SD 3.71Å; K348-M382 HydrophobicContact CB-CE 3.99Å; K348-M382 HydrophobicContact CB-CG 4.02Å; K348-M382 HydrophobicContact CD-CG 4.04Å; K348-M382 WeakPolarHBondContact O-CE 3.21Å; A350-M382 HydrophobicContact CB-CE 3.72Å; A350-M382 HydrophobicContact CB-SD 3.78Å; G377-M382 WeakPolarHBondContact O-CE 3.5Å; V378-M382 HydrophobicContact CB-SD 4.38Å; V378-M382 HydrophobicContact CG1-SD 4.32Å; T379-M382 HydrophobicContact CG2-CE 4.18Å; T379-M382 PolarHBondContact O-N 3.48Å; T379-M382 VanDerWaalsContact O-N 3.12Å; K380-M382 VanDerWaalsContact C-N 3.3Å; M382-I384 HydrophobicContact CB-CG2 4.17Å; M382-I384 PolarHBondContact O-N 2.85Å; M382-F385 VanDerWaalsContact O-CB 3.31Å; M382-F385 WeakPolarHBondContact O-CB 3.36Å; M382-F385 PolarHBondContact O-N 2.9Å
383N98.6Very high98.5Very high64 Ų6431.9 Ų31.934%0.34216%0.162SC..G310 helixtrans-60.4-37.1-177.5-67.42.5000111.7D344 F385 Y386 E387D344-N383 PolarHBondContact OD2-N 3.43Å; D344-N383 PolarHBondContact OD2-OD1 3.01Å; N383-F385 PolarHBondContact O-N 2.84Å; N383-Y386 PolarHBondContact O-N 3.26Å; N383-E387 WeakPolarHBondContact O-CB 3.49Å; N383-E387 PolarHBondContact O-N 2.65Å
384I98.6Very high98.5Very high0 Ų031.9 Ų31.90%016%0.162CC..G310 helixtrans-61.3-16178.3-159.3166.8000113.9H258 Q341 A345 L375 V378 M382 V393 P395H258-I384 PolarHBondContact CE1-O 3.48Å; H258-I384 VanDerWaalsContact CE1-O 3.23Å; H258-I384 PolarHBondContact NE2-O 3.06Å; H258-I384 VanDerWaalsContact NE2-O 3.14Å; Q341-I384 HydrophobicContact CB-CB 4.3Å; Q341-I384 HydrophobicContact CB-CD1 4.32Å; Q341-I384 HydrophobicContact CB-CG1 4.44Å; A345-I384 HydrophobicContact CB-CG2 4.23Å; L375-I384 HydrophobicContact CD2-CD1 4Å; L375-I384 HydrophobicContact CD2-CG2 4.1Å; V378-I384 HydrophobicContact CG1-CG2 3.87Å; V378-I384 HydrophobicContact CG2-CG2 4.38Å; M382-I384 HydrophobicContact CB-CG2 4.17Å; M382-I384 PolarHBondContact O-N 2.85Å; I384-V393 HydrophobicContact CD1-CB 4.4Å; I384-V393 HydrophobicContact CD1-CG1 3.82Å; I384-P395 HydrophobicContact CD1-CB 4.29Å; I384-P395 HydrophobicContact CD1-CG 3.69Å; I384-P395 HydrophobicContact CG1-CB 4.4Å; I384-P395 HydrophobicContact CG1-CG 3.88Å
385F98.7Very high98.5Very high3 Ų332 Ų321%0.01316%0.163CC..G310 helixtrans-76.9-24.7172.8-173.8-82.1000112.7H258 R293 F295 V378 T379 K380 M382 N383 I397H258-F385 PolarHBondContact CD2-O 3.35Å; H258-F385 VanDerWaalsContact CD2-O 3.29Å; H258-F385 PolarHBondContact NE2-O 3.25Å; R293-F385 VanDerWaalsContact CD-O 3.24Å; R293-F385 WeakPolarHBondContact CD-O 3.38Å; F295-F385 HydrophobicContact CE1-CE2 4.22Å; F295-F385 HydrophobicContact CZ-CE2 4.09Å; F295-F385 HydrophobicContact CZ-CZ 4.21Å; V378-F385 HydrophobicContact CG1-CB 4.27Å; V378-F385 HydrophobicContact CG1-CD2 4.34Å; T379-F385 WeakPolarHBondContact O-CB 3.42Å; K380-F385 HydrophobicContact CD-CE1 4.45Å; K380-F385 HydrophobicContact CD-CZ 4.44Å; K380-F385 HydrophobicContact CG-CD1 4.22Å; K380-F385 HydrophobicContact CG-CD2 4.46Å; K380-F385 HydrophobicContact CG-CE1 3.88Å; K380-F385 HydrophobicContact CG-CE2 4.1Å; K380-F385 HydrophobicContact CG-CZ 3.82Å; M382-F385 VanDerWaalsContact O-CB 3.31Å; M382-F385 WeakPolarHBondContact O-CB 3.36Å; M382-F385 PolarHBondContact O-N 2.9Å; N383-F385 PolarHBondContact O-N 2.84Å; F385-I397 HydrophobicContact CD2-CD1 3.72Å; F385-I397 HydrophobicContact CD2-CG1 4.29Å; F385-I397 HydrophobicContact CE2-CD1 3.69Å; F385-I397 HydrophobicContact CE2-CG1 4.37Å; F385-I397 HydrophobicContact CE2-CG2 4.46Å
386Y98.4Very high98.5Very high84 Ų8432 Ų3233%0.32916%0.163SC..THydrogen-bonded Turntrans-115.3-26.1-176.1-68.6-68.4000113.3K380 N383 D411 F414K380-Y386 HydrophobicContact CB-CE2 4.41Å; K380-Y386 VanDerWaalsContact O-CE2 3.23Å; K380-Y386 WeakPolarHBondContact O-CE2 3.3Å; N383-Y386 PolarHBondContact O-N 3.26Å; Y386-D411 WeakPolarHBondContact CE1-O 3.19Å; Y386-D411 PolarHBondContact OH-OD2 3.06Å; Y386-F414 WeakPolarHBondContact O-CE2 3.41Å
387E98Very high98.5Very high89 Ų8930.7 Ų30.742%0.41616%0.156SC..SBendtrans-102.8126.8-174.2-64.9176.1-173.200111.5H258 Q341 N383 T389H258-E387 PolarHBondContact CE1-O 3.22Å; Q341-E387 VanDerWaalsContact NE2-CB 3.29Å; Q341-E387 PolarHBondContact NE2-O 3.23Å; Q341-E387 PolarHBondContact NE2-OE2 2.99Å; N383-E387 WeakPolarHBondContact O-CB 3.49Å; N383-E387 PolarHBondContact O-N 2.65Å; E387-T389 PolarHBondContact O-N 2.77Å
388E98Very high98.5Very high28 Ų2832.2 Ų32.213%0.13116%0.158CC..  trans-54.1120172.5-176.7177-134.900111.5G257 K337 F390G257-E388 PolarHBondContact N-OE1 3.06Å; G257-E388 VanDerWaalsContact N-OE1 3.12Å; G257-E388 VanDerWaalsContact O-CB 3.31Å; G257-E388 WeakPolarHBondContact O-CB 3.42Å; G257-E388 WeakPolarHBondContact O-CG 3.46Å; K337-E388 WeakPolarHBondContact CE-O 3.07Å; K337-E388 PolarHBondContact NZ-O 3.17Å; E388-F390 HydrophobicContact CG-CB 4.32Å; E388-F390 HydrophobicContact CG-CD2 4.09Å
389T97.6Very high98.5Very high3 Ų332.6 Ų32.62%0.01816%0.159CC..  trans-71.6-43.5177.9-53.20000112.3V338 Q341 E387 G391 V393V338-T389 HydrophobicContact CG2-CG2 3.92Å; Q341-T389 VanDerWaalsContact OE1-CA 3.3Å; Q341-T389 VanDerWaalsContact OE1-CB 3.29Å; Q341-T389 PolarHBondContact OE1-OG1 3.34Å; E387-T389 PolarHBondContact O-N 2.77Å; T389-G391 VanDerWaalsContact C-N 3.31Å; T389-G391 PolarHBondContact O-N 3.35Å; T389-V393 HydrophobicContact CG2-CB 4.24Å; T389-V393 HydrophobicContact CG2-CG2 4.01Å
390F97.8Very high98.5Very high37 Ų3735.4 Ų35.416%0.16217%0.168CC..  trans54.944.6-173.7-139.9-110.9000112.9W155 N156 Q286 E388W155-F390 AromaticContact CH2-CD1 3.55Å; W155-F390 HydrophobicContact CH2-CD1 3.55Å; W155-F390 AromaticContact CH2-CE1 3.25Å; W155-F390 HydrophobicContact CH2-CE1 3.25Å; W155-F390 AromaticContact CZ2-CD1 3.76Å; W155-F390 HydrophobicContact CZ2-CD1 3.76Å; W155-F390 AromaticContact CZ2-CE1 3.44Å; W155-F390 HydrophobicContact CZ2-CE1 3.44Å; W155-F390 VanDerWaalsContact CZ2-CE1 3.44Å; W155-F390 HydrophobicContact CZ3-CE1 4.05Å; N156-F390 HydrophobicContact CB-CE1 4.04Å; N156-F390 HydrophobicContact CB-CZ 4Å; N156-F390 WeakPolarHBondContact ND2-CZ 3.36Å; Q286-F390 HydrophobicContact CB-CD1 3.68Å; Q286-F390 HydrophobicContact CB-CE1 3.56Å; Q286-F390 HydrophobicContact CB-CG 4.45Å; Q286-F390 HydrophobicContact CB-CZ 4.25Å; Q286-F390 HydrophobicContact CG-CD1 3.9Å; Q286-F390 HydrophobicContact CG-CE1 4.25Å; Q286-F390 WeakPolarHBondContact CG-O 3.33Å; Q286-F390 WeakPolarHBondContact O-CZ 3.43Å; E388-F390 HydrophobicContact CG-CB 4.32Å; E388-F390 HydrophobicContact CG-CD2 4.09Å
391G98.5Very high98.5Very high0 Ų036.3 Ų36.30%018%0.176CC..SBendtrans-164.9-179.7-176.500000112.7K280 N284 T389 V393K280-G391 WeakPolarHBondContact CE-O 3.07Å; K280-G391 PolarHBondContact NZ-O 3.1Å; N284-G391 CarbonylContact O-C 3.35Å; N284-G391 VanDerWaalsContact O-CA 3.31Å; N284-G391 WeakPolarHBondContact O-CA 3.44Å; T389-G391 VanDerWaalsContact C-N 3.31Å; T389-G391 PolarHBondContact O-N 3.35Å; G391-V393 PolarHBondContact O-N 2.7Å
392P98.2Very high98.5Very high0 Ų031.6 Ų31.60%015%0.154CC..SBendtrans-81.144.3-166.231.5-36.5000115.5F281 N284 F370 T373F281-P392 HydrophobicContact CD1-CB 4.09Å; F281-P392 HydrophobicContact CE1-CB 3.79Å; N284-P392 WeakPolarHBondContact OD1-CB 3.35Å; N284-P392 WeakPolarHBondContact OD1-CD 3.31Å; N284-P392 WeakPolarHBondContact OD1-CG 3.17Å; F370-P392 HydrophobicContact CB-CG 4.19Å; F370-P392 HydrophobicContact CD1-CG 4.17Å; T373-P392 PolarHBondContact N-O 3.43Å
393V98.9Very high98.5Very high1 Ų135.8 Ų35.81%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-108.3133.7178-171.60000110.5K280 V338 L342 T373 L375 I384 T389 G391 P395K280-V393 WeakPolarHBondContact CD-O 3.12Å; K280-V393 WeakPolarHBondContact CE-O 3.13Å; K280-V393 PolarHBondContact NZ-O 2.89Å; V338-V393 HydrophobicContact CG1-CG2 3.69Å; L342-V393 HydrophobicContact CD2-CG1 3.9Å; L342-V393 HydrophobicContact CD2-CG2 4.26Å; L342-V393 HydrophobicContact CG-CG2 4.5Å; T373-V393 HydrophobicContact CG2-CG1 4.3Å; T373-V393 CarbonylContact O-C 3.46Å; T373-V393 WeakPolarHBondContact O-CA 3.49Å; L375-V393 HydrophobicContact CB-CG1 4.17Å; I384-V393 HydrophobicContact CD1-CB 4.4Å; I384-V393 HydrophobicContact CD1-CG1 3.82Å; T389-V393 HydrophobicContact CG2-CB 4.24Å; T389-V393 HydrophobicContact CG2-CG2 4.01Å; G391-V393 PolarHBondContact O-N 2.7Å; V393-P395 HydrophobicContact CG1-CG 4.19Å; V393-P395 WeakPolarHBondContact O-CD 3.35Å
394I98.9Very high98.5Very high0 Ų036.6 Ų36.60%017%0.174CC..EExtended strand (participates in β ladder)trans-104.7100.6169.6-64.6178.6000108.4L276 I277 K280 F281 I294 I308 I312 T373 V374 L375 L396L276-I394 HydrophobicContact CD2-CG2 4.32Å; I277-I394 HydrophobicContact CD1-CD1 3.85Å; K280-I394 HydrophobicContact CB-CG1 4.44Å; K280-I394 HydrophobicContact CD-CG1 4.14Å; K280-I394 HydrophobicContact CG-CD1 4.2Å; K280-I394 HydrophobicContact CG-CG1 3.68Å; F281-I394 HydrophobicContact CE2-CD1 3.82Å; F281-I394 HydrophobicContact CZ-CD1 3.91Å; F281-I394 HydrophobicContact CZ-CG1 4.25Å; I294-I394 HydrophobicContact CB-CG2 4.46Å; I294-I394 HydrophobicContact CD1-CG2 4.05Å; I294-I394 HydrophobicContact CG1-CG2 3.94Å; I308-I394 HydrophobicContact CG2-CD1 3.86Å; I308-I394 HydrophobicContact CG2-CG2 4.27Å; I312-I394 HydrophobicContact CG2-CD1 4.14Å; T373-I394 PolarHBondContact O-N 2.82Å; V374-I394 HydrophobicContact CG2-CB 4.34Å; L375-I394 PolarHBondContact N-O 3.35Å; I394-L396 HydrophobicContact CG2-CD2 3.54Å; I394-L396 HydrophobicContact CG2-CG 4.41Å
395P98.9Very high98.5Very high1 Ų136.6 Ų36.61%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-86.2117.9177.4-12.633.3000110.2N292 I294 V378 I384 V393N292-P395 VanDerWaalsContact O-CD 3.3Å; N292-P395 WeakPolarHBondContact O-CD 3.49Å; N292-P395 WeakPolarHBondContact O-CG 3.49Å; I294-P395 WeakPolarHBondContact CB-O 3.37Å; I294-P395 PolarHBondContact N-O 3.23Å; V378-P395 HydrophobicContact CB-CB 4.46Å; V378-P395 HydrophobicContact CG1-CB 4.4Å; V378-P395 HydrophobicContact CG2-CB 3.78Å; I384-P395 HydrophobicContact CD1-CB 4.29Å; I384-P395 HydrophobicContact CD1-CG 3.69Å; I384-P395 HydrophobicContact CG1-CB 4.4Å; I384-P395 HydrophobicContact CG1-CG 3.88Å; V393-P395 HydrophobicContact CG1-CG 4.19Å; V393-P395 WeakPolarHBondContact O-CD 3.35Å
396L98.9Very high98.5Very high0 Ų036.8 Ų36.80%018%0.175CC..EExtended strand (participates in β ladder)trans-97.7129-177.2-51-178.5000111.7I294 I296 T305 I308 V374 L375 D376 G377 V378 I394I294-L396 HydrophobicContact CB-CD2 3.98Å; I294-L396 HydrophobicContact CG2-CD2 3.89Å; I294-L396 WeakPolarHBondContact O-CA 2.99Å; I296-L396 HydrophobicContact CD1-CD1 4.47Å; I296-L396 HydrophobicContact CD1-CD2 3.87Å; T305-L396 HydrophobicContact CG2-CD1 3.66Å; I308-L396 HydrophobicContact CD1-CD2 3.98Å; V374-L396 HydrophobicContact CG1-CD1 3.7Å; V374-L396 HydrophobicContact CG1-CG 4.15Å; L375-L396 PolarHBondContact O-N 2.92Å; D376-L396 HydrophobicContact CB-CD1 4.39Å; G377-L396 PolarHBondContact N-O 2.79Å; V378-L396 WeakPolarHBondContact CB-O 3.42Å; V378-L396 PolarHBondContact N-O 3.01Å; I394-L396 HydrophobicContact CG2-CD2 3.54Å; I394-L396 HydrophobicContact CG2-CG 4.41Å
397I98.9Very high98.5Very high12 Ų1238.1 Ų38.16%0.06218%0.184CC..EExtended strand (participates in β ladder)trans-125.5129.1-178.2-56.4152.5000107.7R293 I294 F295 I296 V378 F385R293-I397 HydrophobicContact CB-CD1 3.75Å; R293-I397 HydrophobicContact CG-CD1 4.18Å; I294-I397 PolarHBondContact O-N 3.36Å; F295-I397 CarbonylContact C-O 3.58Å; F295-I397 VanDerWaalsContact CA-O 3.28Å; F295-I397 WeakPolarHBondContact CA-O 3.39Å; F295-I397 HydrophobicContact CD1-CB 3.82Å; F295-I397 HydrophobicContact CD1-CD1 4.26Å; F295-I397 HydrophobicContact CD1-CG2 3.6Å; F295-I397 HydrophobicContact CE1-CB 4.05Å; F295-I397 HydrophobicContact CE1-CD1 3.85Å; F295-I397 HydrophobicContact CE1-CG2 3.6Å; F295-I397 HydrophobicContact CE2-CD1 4.17Å; F295-I397 HydrophobicContact CG-CB 4.42Å; F295-I397 HydrophobicContact CZ-CD1 3.8Å; I296-I397 PolarHBondContact N-O 3.5Å; V378-I397 HydrophobicContact CB-CG1 3.85Å; V378-I397 HydrophobicContact CG1-CD1 4.46Å; V378-I397 HydrophobicContact CG1-CG1 3.98Å; F385-I397 HydrophobicContact CD2-CD1 3.72Å; F385-I397 HydrophobicContact CD2-CG1 4.29Å; F385-I397 HydrophobicContact CE2-CD1 3.69Å; F385-I397 HydrophobicContact CE2-CG1 4.37Å; F385-I397 HydrophobicContact CE2-CG2 4.46Å
398T98.8Very high98.5Very high69 Ų6935 Ų3542%0.42317%0.171SC..EExtended strand (participates in β ladder)trans-89137.7177.5-56.40000110.3I296 K298 K301I296-T398 WeakPolarHBondContact O-CA 3.43Å; K298-T398 HydrophobicContact CB-CG2 4.01Å; K301-T398 WeakPolarHBondContact CE-OG1 3.46Å
399F98.8Very high98.6Very high13 Ų1333.6 Ų33.66%0.05716%0.164CC..EExtended strand (participates in β ladder)trans-132.8166.1169.878-84.3000111.6I262 F264 F295 I296 H297 K298 V405I262-F399 HydrophobicContact CG2-CE1 3.72Å; I262-F399 HydrophobicContact CG2-CZ 3.66Å; F264-F399 HydrophobicContact CD1-CE2 4.12Å; F264-F399 HydrophobicContact CD1-CZ 4.04Å; F264-F399 AromaticContact CE1-CE2 3.95Å; F264-F399 HydrophobicContact CE1-CE2 3.95Å; F264-F399 HydrophobicContact CE1-CZ 4.13Å; F264-F399 HydrophobicContact CG-CZ 4.46Å; F295-F399 HydrophobicContact CB-CD1 3.75Å; F295-F399 HydrophobicContact CB-CE1 4.03Å; I296-F399 WeakPolarHBondContact O-CD1 3.24Å; I296-F399 PolarHBondContact O-N 2.88Å; H297-F399 CarbonylContact C-O 3.56Å; H297-F399 WeakPolarHBondContact CA-O 3.3Å; H297-F399 HydrophobicContact CB-CE1 3.96Å; H297-F399 HydrophobicContact CB-CE2 4.12Å; H297-F399 HydrophobicContact CB-CZ 3.72Å; H297-F399 AromaticContact CD2-CD2 3.99Å; H297-F399 AromaticContact CD2-CE2 3.65Å; K298-F399 PolarHBondContact N-O 2.94Å; F399-V405 HydrophobicContact CB-CB 3.96Å; F399-V405 HydrophobicContact CB-CG2 3.99Å; F399-V405 HydrophobicContact CD1-CB 4.32Å; F399-V405 HydrophobicContact CD1-CG2 3.79Å; F399-V405 HydrophobicContact CD2-CB 3.48Å; F399-V405 VanDerWaalsContact CD2-CB 3.48Å; F399-V405 HydrophobicContact CD2-CG1 3.66Å; F399-V405 HydrophobicContact CD2-CG2 3.89Å; F399-V405 HydrophobicContact CE1-CG2 4.16Å; F399-V405 HydrophobicContact CE2-CB 3.97Å; F399-V405 HydrophobicContact CE2-CG1 3.63Å; F399-V405 HydrophobicContact CE2-CG2 4.27Å; F399-V405 HydrophobicContact CG-CB 3.67Å; F399-V405 HydrophobicContact CG-CG1 4.28Å; F399-V405 HydrophobicContact CG-CG2 3.62Å; F399-V405 HydrophobicContact CZ-CG1 4.23Å; F399-V405 HydrophobicContact CZ-CG2 4.39Å
400E98.5Very high98.7Very high120 Ų12034.5 Ų34.556%0.56117%0.169SC*.  trans-133.8-19180-46.1-167.9178.200114.2H297 K298H297-E400 PolarHBondContact NE2-O 2.81Å; H297-E400 VanDerWaalsContact NE2-O 3.12Å; K298-E400 HydrophobicContact CB-CG 4.14Å; K298-E400 HydrophobicContact CD-CB 4.17Å; K298-E400 VanDerWaalsContact CD-CD 3.48Å; K298-E400 HydrophobicContact CD-CG 3.67Å; K298-E400 WeakPolarHBondContact CE-OE2 3.48Å; K298-E400 HydrophobicContact CG-CB 4.17Å; K298-E400 HydrophobicContact CG-CG 3.77Å; K298-E400 IonicContact NZ-OE1 3.24Å; K298-E400 IonicContact NZ-OE2 2.74Å; K298-E400 PolarHBondContact NZ-OE2 3.09Å
401D98.4Very high98.7Very high88 Ų8835.6 Ų35.647%0.47118%0.177SC..  trans-126.9136.4-173.9175-100.8000110.2E403 K404 V405D401-E403 PolarHBondContact OD1-N 3.34Å; D401-E403 VanDerWaalsContact OD1-N 3.09Å; D401-K404 HydrophobicContact CB-CB 3.95Å; D401-K404 PolarHBondContact O-N 3.13Å; D401-K404 WeakPolarHBondContact OD1-CB 3.24Å; D401-K404 PolarHBondContact OD1-N 2.97Å; D401-V405 PolarHBondContact O-N 3.05Å
402E98.5Very high98.7Very high50 Ų5036.4 Ų36.423%0.23418%0.182CC..Hα-helixtrans-64.1-46.2-176.7-177.5177130.700111.7F264 K404 V405 I406 T427 N430 V431F264-E402 HydrophobicContact CE1-CB 4.11Å; F264-E402 HydrophobicContact CE1-CG 3.8Å; F264-E402 HydrophobicContact CZ-CG 4.06Å; E402-K404 VanDerWaalsContact C-N 3.33Å; E402-K404 PolarHBondContact O-N 3.47Å; E402-V405 VanDerWaalsContact O-CG1 3.22Å; E402-V405 WeakPolarHBondContact O-CG1 3.34Å; E402-V405 PolarHBondContact O-N 2.73Å; E402-I406 HydrophobicContact CG-CD1 4.2Å; E402-I406 WeakPolarHBondContact O-CD1 3.39Å; E402-I406 VanDerWaalsContact O-CG1 3.26Å; E402-I406 WeakPolarHBondContact O-CG1 3.37Å; E402-I406 PolarHBondContact O-N 3.32Å; E402-I406 VanDerWaalsContact O-N 3.12Å; E402-T427 WeakPolarHBondContact OE2-CG2 3.33Å; E402-T427 PolarHBondContact OE2-OG1 2.89Å; E402-N430 PolarHBondContact OE1-ND2 2.93Å; E402-V431 HydrophobicContact CG-CG2 4.11Å
403E98.5Very high98.6Very high89 Ų8940.8 Ų40.842%0.41620%0.202SC..Hα-helixtrans-68.9-36.9-179-66.2-63.9142.200111D401 I406 E407 N430 K434D401-E403 PolarHBondContact OD1-N 3.34Å; D401-E403 VanDerWaalsContact OD1-N 3.09Å; E403-I406 PolarHBondContact O-N 2.81Å; E403-E407 PolarHBondContact O-N 2.79Å; E403-N430 PolarHBondContact OE1-ND2 3.44Å; E403-K434 IonicContact OE1-NZ 2.69Å; E403-K434 PolarHBondContact OE1-NZ 3.31Å; E403-K434 IonicContact OE2-NZ 2.68Å; E403-K434 PolarHBondContact OE2-NZ 3.21Å
404K98.5Very high98.6Very high81 Ų8141.4 Ų41.435%0.35221%0.205SC..Hα-helixtrans-67.5-40.9177.4-171.750.7177.8154.50112.5D401 E402 I406 E407 D408D401-K404 HydrophobicContact CB-CB 3.95Å; D401-K404 PolarHBondContact O-N 3.13Å; D401-K404 WeakPolarHBondContact OD1-CB 3.24Å; D401-K404 PolarHBondContact OD1-N 2.97Å; E402-K404 VanDerWaalsContact C-N 3.33Å; E402-K404 PolarHBondContact O-N 3.47Å; K404-I406 VanDerWaalsContact C-N 3.3Å; K404-I406 PolarHBondContact O-N 2.95Å; K404-E407 VanDerWaalsContact CD-OE2 3.31Å; K404-E407 WeakPolarHBondContact CD-OE2 3.24Å; K404-E407 IonicContact NZ-OE1 2.67Å; K404-E407 PolarHBondContact NZ-OE1 3.2Å; K404-E407 IonicContact NZ-OE2 2.71Å; K404-E407 PolarHBondContact NZ-OE2 2.94Å; K404-E407 WeakPolarHBondContact O-CB 3.49Å; K404-E407 PolarHBondContact O-N 3.02Å; K404-D408 WeakPolarHBondContact CE-OD1 3.41Å; K404-D408 IonicContact NZ-OD1 3.74Å; K404-D408 PolarHBondContact NZ-OD1 2.88Å; K404-D408 WeakPolarHBondContact O-CB 3.19Å; K404-D408 VanDerWaalsContact O-CG 3.29Å; K404-D408 PolarHBondContact O-N 3.23Å
405V98.8Very high98.6Very high0 Ų041.4 Ų41.40%021%0.205CC..Hα-helixtrans-68.3-31.7176.672.80000111.9I262 F264 F295 F399 D401 E402 D408 A409I262-V405 HydrophobicContact CD1-CG2 4.22Å; I262-V405 HydrophobicContact CG1-CG2 4.28Å; I262-V405 HydrophobicContact CG2-CG1 4.18Å; I262-V405 HydrophobicContact CG2-CG2 3.91Å; F264-V405 HydrophobicContact CE1-CG1 4.28Å; F264-V405 HydrophobicContact CZ-CG1 4.08Å; F295-V405 HydrophobicContact CB-CG2 3.72Å; F295-V405 HydrophobicContact CD1-CG2 3.74Å; F295-V405 HydrophobicContact CE1-CG2 4.47Å; F295-V405 HydrophobicContact CG-CG2 3.75Å; F399-V405 HydrophobicContact CB-CB 3.96Å; F399-V405 HydrophobicContact CB-CG2 3.99Å; F399-V405 HydrophobicContact CD1-CB 4.32Å; F399-V405 HydrophobicContact CD1-CG2 3.79Å; F399-V405 HydrophobicContact CD2-CB 3.48Å; F399-V405 VanDerWaalsContact CD2-CB 3.48Å; F399-V405 HydrophobicContact CD2-CG1 3.66Å; F399-V405 HydrophobicContact CD2-CG2 3.89Å; F399-V405 HydrophobicContact CE1-CG2 4.16Å; F399-V405 HydrophobicContact CE2-CB 3.97Å; F399-V405 HydrophobicContact CE2-CG1 3.63Å; F399-V405 HydrophobicContact CE2-CG2 4.27Å; F399-V405 HydrophobicContact CG-CB 3.67Å; F399-V405 HydrophobicContact CG-CG1 4.28Å; F399-V405 HydrophobicContact CG-CG2 3.62Å; F399-V405 HydrophobicContact CZ-CG1 4.23Å; F399-V405 HydrophobicContact CZ-CG2 4.39Å; D401-V405 PolarHBondContact O-N 3.05Å; E402-V405 VanDerWaalsContact O-CG1 3.22Å; E402-V405 WeakPolarHBondContact O-CG1 3.34Å; E402-V405 PolarHBondContact O-N 2.73Å; V405-D408 PolarHBondContact O-N 2.77Å; V405-A409 WeakPolarHBondContact O-CB 3.31Å; V405-A409 PolarHBondContact O-N 3.46Å
406I98.9Very high98.6Very high7 Ų741.4 Ų41.44%0.03621%0.205CC..Hα-helixtrans-64.2-44.8171.7-68.5165.5000110.6E402 E403 K404 A409 N410 V431 K434E402-I406 HydrophobicContact CG-CD1 4.2Å; E402-I406 WeakPolarHBondContact O-CD1 3.39Å; E402-I406 VanDerWaalsContact O-CG1 3.26Å; E402-I406 WeakPolarHBondContact O-CG1 3.37Å; E402-I406 PolarHBondContact O-N 3.32Å; E402-I406 VanDerWaalsContact O-N 3.12Å; E403-I406 PolarHBondContact O-N 2.81Å; K404-I406 VanDerWaalsContact C-N 3.3Å; K404-I406 PolarHBondContact O-N 2.95Å; I406-A409 PolarHBondContact O-N 2.92Å; I406-N410 WeakPolarHBondContact O-CB 3.42Å; I406-N410 PolarHBondContact O-N 2.79Å; I406-N410 PolarHBondContact O-ND2 3.34Å; I406-V431 HydrophobicContact CD1-CG2 3.99Å; I406-V431 HydrophobicContact CG1-CG2 4.29Å; I406-K434 HydrophobicContact CD1-CB 4.32Å; I406-K434 HydrophobicContact CD1-CD 4.01Å; I406-K434 HydrophobicContact CG2-CB 3.67Å; I406-K434 HydrophobicContact CG2-CD 4.43Å
407E98.8Very high98.6Very high112 Ų11241.5 Ų41.552%0.52321%0.205SC..Hα-helixtrans-59-50.1175.4-170.5-163.3157.200110.9E403 K404 A409 N410 D411E403-E407 PolarHBondContact O-N 2.79Å; K404-E407 VanDerWaalsContact CD-OE2 3.31Å; K404-E407 WeakPolarHBondContact CD-OE2 3.24Å; K404-E407 IonicContact NZ-OE1 2.67Å; K404-E407 PolarHBondContact NZ-OE1 3.2Å; K404-E407 IonicContact NZ-OE2 2.71Å; K404-E407 PolarHBondContact NZ-OE2 2.94Å; K404-E407 WeakPolarHBondContact O-CB 3.49Å; K404-E407 PolarHBondContact O-N 3.02Å; E407-A409 PolarHBondContact O-N 2.93Å; E407-N410 CarbonylContact O-C 3.59Å; E407-N410 PolarHBondContact O-N 3.25Å; E407-N410 VanDerWaalsContact O-N 3.16Å; E407-D411 WeakPolarHBondContact O-CB 3.14Å; E407-D411 PolarHBondContact O-N 3.11Å
408D98.8Very high98.6Very high23 Ų2341 Ų4112%0.12320%0.202CC..Hα-helixtrans-69.9-33.4-177.4-66.6-13.1000112.3R293 F295 K380 K404 V405 D411R293-D408 PolarHBondContact NH1-O 2.83Å; R293-D408 VanDerWaalsContact NH1-O 3.15Å; F295-D408 HydrophobicContact CE1-CB 4.06Å; F295-D408 HydrophobicContact CZ-CB 4.43Å; K380-D408 VanDerWaalsContact CE-CG 3.47Å; K380-D408 WeakPolarHBondContact CE-OD1 3.42Å; K380-D408 IonicContact NZ-OD1 3.76Å; K380-D408 PolarHBondContact NZ-OD1 2.7Å; K404-D408 WeakPolarHBondContact CE-OD1 3.41Å; K404-D408 IonicContact NZ-OD1 3.74Å; K404-D408 PolarHBondContact NZ-OD1 2.88Å; K404-D408 WeakPolarHBondContact O-CB 3.19Å; K404-D408 VanDerWaalsContact O-CG 3.29Å; K404-D408 PolarHBondContact O-N 3.23Å; V405-D408 PolarHBondContact O-N 2.77Å; D408-D411 PolarHBondContact O-N 3.37Å
409A98.8Very high98.6Very high0 Ų037.7 Ų37.70%018%0.182CC..Hα-helixtrans-64.1-42.5170.500000110.6P260 I262 R293 F295 V405 I406 E407 D411 L435 Y437P260-A409 HydrophobicContact CB-CB 3.83Å; P260-A409 HydrophobicContact CG-CB 4.03Å; I262-A409 HydrophobicContact CD1-CB 3.99Å; R293-A409 PolarHBondContact NH1-O 3.5Å; R293-A409 PolarHBondContact NH2-O 2.8Å; F295-A409 HydrophobicContact CE2-CB 4.42Å; V405-A409 WeakPolarHBondContact O-CB 3.31Å; V405-A409 PolarHBondContact O-N 3.46Å; I406-A409 PolarHBondContact O-N 2.92Å; E407-A409 PolarHBondContact O-N 2.93Å; A409-D411 VanDerWaalsContact C-N 3.32Å; A409-D411 PolarHBondContact O-N 2.82Å; A409-L435 HydrophobicContact CB-CD2 3.77Å; A409-Y437 PolarHBondContact O-OH 2.74Å
410N98.8Very high98.6Very high21 Ų2137.1 Ų37.111%0.11218%0.18CC..Hα-helixtrans-76.3-15.9179-75.7-31.6000114.3I406 E407 T412 K434 Q436 K458I406-N410 WeakPolarHBondContact O-CB 3.42Å; I406-N410 PolarHBondContact O-N 2.79Å; I406-N410 PolarHBondContact O-ND2 3.34Å; E407-N410 CarbonylContact O-C 3.59Å; E407-N410 PolarHBondContact O-N 3.25Å; E407-N410 VanDerWaalsContact O-N 3.16Å; N410-T412 PolarHBondContact O-N 3.14Å; N410-K434 PolarHBondContact ND2-O 3.16Å; N410-Q436 WeakPolarHBondContact OD1-CB 3.34Å; N410-Q436 PolarHBondContact OD1-N 2.94Å; N410-K458 PolarHBondContact O-NZ 2.95Å
411D98.5Very high98.6Very high61 Ų6131.4 Ų31.433%0.32615%0.153SC..  trans-71.469.2176.3-173.422.8000111.4K380 Y386 E407 D408 A409K380-D411 IonicContact NZ-OD2 3.23Å; K380-D411 PolarHBondContact NZ-OD2 2.8Å; Y386-D411 WeakPolarHBondContact CE1-O 3.19Å; Y386-D411 PolarHBondContact OH-OD2 3.06Å; E407-D411 WeakPolarHBondContact O-CB 3.14Å; E407-D411 PolarHBondContact O-N 3.11Å; D408-D411 PolarHBondContact O-N 3.37Å; A409-D411 VanDerWaalsContact C-N 3.32Å; A409-D411 PolarHBondContact O-N 2.82Å
412T98.2Very high98.6Very high17 Ų1727.2 Ų27.210%0.10413%0.131CC..SBendtrans-162.2152.5177.4179.90000109.2R293 N410 F414 Y437 K458R293-T412 VanDerWaalsContact NH2-CG2 3.34Å; N410-T412 PolarHBondContact O-N 3.14Å; T412-F414 HydrophobicContact CG2-CB 4.49Å; T412-F414 VanDerWaalsContact CG2-O 3.28Å; T412-F414 WeakPolarHBondContact CG2-O 3.47Å; T412-F414 WeakPolarHBondContact OG1-CD2 3.49Å; T412-F414 PolarHBondContact OG1-N 2.93Å; T412-Y437 VanDerWaalsContact CG2-OH 3.23Å; T412-Y437 WeakPolarHBondContact CG2-OH 3.33Å; T412-K458 PolarHBondContact O-NZ 3.33Å
413E97.7Very high98.6Very high91 Ų9129.7 Ų29.743%0.42515%0.15SC..SBendtrans-71.9-20.6170.366.3174177.200112.8K458 H459E413-K458 WeakPolarHBondContact O-CB 3.41Å; E413-H459 HydrophobicContact CB-CB 4.06Å; E413-H459 HydrophobicContact CG-CB 4.25Å; E413-H459 WeakPolarHBondContact O-CB 3.35Å; E413-H459 PolarHBondContact O-N 3.49Å; E413-H459 IonicContact OE2-CE1 2.77Å; E413-H459 IonicContact OE2-CG 2.8Å; E413-H459 IonicContact OE2-ND1 2.73Å; E413-H459 PolarHBondContact OE2-ND1 2.89Å
414F98.6Very high98.6Very high15 Ų1528.6 Ų28.67%0.06615%0.146CC..  trans-81.2149-177.7-59.4-70.8000111.9G256 H258 Y386 T412 S460G256-F414 WeakPolarHBondContact O-CD1 3.22Å; H258-F414 HydrophobicContact CB-CB 4.07Å; H258-F414 HydrophobicContact CB-CD2 3.36Å; H258-F414 HydrophobicContact CB-CE2 4.07Å; H258-F414 HydrophobicContact CB-CG 3.92Å; Y386-F414 WeakPolarHBondContact O-CE2 3.41Å; T412-F414 HydrophobicContact CG2-CB 4.49Å; T412-F414 VanDerWaalsContact CG2-O 3.28Å; T412-F414 WeakPolarHBondContact CG2-O 3.47Å; T412-F414 WeakPolarHBondContact OG1-CD2 3.49Å; T412-F414 PolarHBondContact OG1-N 2.93Å; F414-S460 WeakPolarHBondContact CA-OG 3.48Å
415G98.4Very high98.6Very high0 Ų030.7 Ų30.70%016%0.16CC..  trans-151.132.4-177.100000112.7Y437 G438 G456 V457 S460G415-Y437 WeakPolarHBondContact O-CA 3.29Å; G415-G438 PolarHBondContact O-N 3.14Å; G415-G456 WeakPolarHBondContact O-CA 3.18Å; G415-V457 WeakPolarHBondContact CA-O 3.43Å; G415-V457 WeakPolarHBondContact O-CG2 3.49Å; G415-V457 PolarHBondContact O-N 3.01Å; G415-S460 PolarHBondContact N-OG 3.39Å
416L98.8Very high98.6Very high1 Ų137.7 Ų37.71%0.00519%0.192CC..SBendtrans-79-73.9-178.3-17459.5000112C288 T289 G438 M439 F454 S460C288-L416 HydrophobicContact CB-CD2 3.64Å; T289-L416 HydrophobicContact CG2-CD2 3.85Å; T289-L416 HydrophobicContact CG2-CG 4.18Å; L416-G438 PolarHBondContact O-N 3.36Å; L416-M439 HydrophobicContact CD1-CE 3.62Å; L416-M439 HydrophobicContact CG-CE 3.86Å; L416-M439 PolarHBondContact O-N 3.37Å; L416-F454 HydrophobicContact CD1-CE1 4.25Å; L416-S460 PolarHBondContact N-OG 3.09Å; L416-S460 VanDerWaalsContact N-OG 3.13Å
417A98.7Very high98.6Very high2 Ų237.9 Ų37.92%0.01719%0.194CC..EExtended strand (participates in β ladder)trans-126.4148.2-175.400000111.2A259 T289 Y419 Y437 M439 I447A259-A417 VanDerWaalsContact CA-O 3.28Å; A259-A417 WeakPolarHBondContact CA-O 3.5Å; A259-A417 HydrophobicContact CB-CB 4.34Å; A259-A417 WeakPolarHBondContact CB-O 3.47Å; T289-A417 HydrophobicContact CG2-CB 3.89Å; A417-Y419 HydrophobicContact CB-CE2 4.44Å; A417-Y437 WeakPolarHBondContact O-CD1 3.35Å; A417-Y437 WeakPolarHBondContact O-CE1 3.45Å; A417-M439 CarbonylContact C-O 3.47Å; A417-M439 WeakPolarHBondContact CA-O 3.37Å; A417-M439 HydrophobicContact CB-CE 4.42Å; A417-I447 HydrophobicContact CB-CD1 3.37Å
418S98.8Very high98.6Very high0 Ų034.2 Ų34.20%018%0.179CC..EExtended strand (participates in β ladder)trans-140.3154.216858.70000110.8M439 V440 G441S418-M439 PolarHBondContact N-O 2.8Å; S418-V440 CarbonylContact O-C 3.5Å; S418-V440 WeakPolarHBondContact O-CA 3.42Å; S418-G441 PolarHBondContact O-N 3.16Å
419Y98.9Very high98.6Very high1 Ų139 Ų390%0.00420%0.201CC..EExtended strand (participates in β ladder)trans-135.9143179.7-47.2-76.4000110.2A259 P260 Y261 I262 T289 P291 A417 G441 T445 I447A259-Y419 HydrophobicContact CB-CD2 4.24Å; A259-Y419 HydrophobicContact CB-CE2 3.85Å; P260-Y419 PolarHBondContact O-N 2.91Å; Y261-Y419 CarbonylContact C-O 3.39Å; Y261-Y419 VanDerWaalsContact CA-O 3.31Å; Y261-Y419 WeakPolarHBondContact CA-O 3.42Å; Y261-Y419 AromaticContact CD2-CD2 3.88Å; Y261-Y419 HydrophobicContact CD2-CD2 3.88Å; Y261-Y419 HydrophobicContact CD2-CG 4.04Å; Y261-Y419 HydrophobicContact CE2-CG 4.46Å; I262-Y419 PolarHBondContact N-O 3.05Å; T289-Y419 WeakPolarHBondContact CB-OH 3.43Å; T289-Y419 VanDerWaalsContact O-CE2 3.31Å; T289-Y419 WeakPolarHBondContact O-CE2 3.34Å; T289-Y419 PolarHBondContact O-OH 3.36Å; P291-Y419 HydrophobicContact CG-CD2 4.27Å; P291-Y419 HydrophobicContact CG-CE2 4.14Å; A417-Y419 HydrophobicContact CB-CE2 4.44Å; Y419-G441 WeakPolarHBondContact CA-O 3.24Å; Y419-T445 HydrophobicContact CD1-CG2 3.67Å; Y419-T445 HydrophobicContact CD2-CG2 4.36Å; Y419-T445 HydrophobicContact CE1-CG2 3.91Å; Y419-T445 HydrophobicContact CG-CG2 3.89Å; Y419-I447 HydrophobicContact CD1-CG2 4.48Å; Y419-I447 HydrophobicContact CE1-CD1 3.77Å; Y419-I447 HydrophobicContact CE1-CG1 4.05Å; Y419-I447 HydrophobicContact CE1-CG2 3.92Å; Y419-I447 WeakPolarHBondContact OH-CD1 3.44Å
420F98.9Very high98.6Very high0 Ų041 Ų410%021%0.212CC..EExtended strand (participates in β ladder)trans-149.2156.5167.272.8-85.8000112.6I262 F264 V428 V431 L435 V440 G441 V442 N443I262-F420 HydrophobicContact CB-CB 3.82Å; I262-F420 CarbonylContact O-C 3.5Å; I262-F420 WeakPolarHBondContact O-CA 3.3Å; F264-F420 HydrophobicContact CD2-CD2 4.32Å; F264-F420 HydrophobicContact CE2-CB 4.27Å; F264-F420 HydrophobicContact CE2-CD2 4.09Å; F420-V428 HydrophobicContact CE2-CB 4.32Å; F420-V428 HydrophobicContact CE2-CG2 4.03Å; F420-V428 HydrophobicContact CZ-CB 4.4Å; F420-V428 HydrophobicContact CZ-CG1 4.31Å; F420-V428 WeakPolarHBondContact CZ-O 3.44Å; F420-V431 HydrophobicContact CB-CG1 4.32Å; F420-V431 HydrophobicContact CD1-CB 4.39Å; F420-V431 HydrophobicContact CD1-CG1 3.59Å; F420-V431 HydrophobicContact CD2-CB 4.32Å; F420-V431 HydrophobicContact CD2-CG1 4.03Å; F420-V431 HydrophobicContact CE1-CB 4.13Å; F420-V431 HydrophobicContact CE1-CG1 3.77Å; F420-V431 HydrophobicContact CE2-CB 4.1Å; F420-V431 HydrophobicContact CE2-CG1 4.22Å; F420-V431 HydrophobicContact CG-CB 4.46Å; F420-V431 HydrophobicContact CG-CG1 3.71Å; F420-V431 HydrophobicContact CZ-CB 4Å; F420-V431 HydrophobicContact CZ-CG1 4.1Å; F420-L435 HydrophobicContact CD1-CD1 3.98Å; F420-L435 HydrophobicContact CE1-CD1 4.5Å; F420-V440 HydrophobicContact CD1-CG1 4.07Å; F420-V440 HydrophobicContact CE1-CG1 3.8Å; F420-G441 PolarHBondContact N-O 2.82Å; F420-V442 HydrophobicContact CD1-CG2 4.37Å; F420-V442 HydrophobicContact CE1-CB 4.37Å; F420-V442 HydrophobicContact CE1-CG1 4.37Å; F420-V442 HydrophobicContact CE1-CG2 3.51Å; F420-V442 HydrophobicContact CE2-CG1 3.8Å; F420-V442 HydrophobicContact CE2-CG2 4.42Å; F420-V442 HydrophobicContact CZ-CB 4.17Å; F420-V442 HydrophobicContact CZ-CG1 3.71Å; F420-V442 HydrophobicContact CZ-CG2 3.53Å; F420-V442 WeakPolarHBondContact O-CA 3.15Å; F420-N443 PolarHBondContact O-N 2.85Å
421F98.9Very high98.6Very high1 Ų140 Ų400%0.00421%0.206CC..EExtended strand (participates in β ladder)trans-125121.2-176.4-71.9-108.4000109.3Y261 I262 F264 A267 R271 A272 T275 N443Y261-F421 AromaticContact CE1-CD2 3.78Å; Y261-F421 HydrophobicContact CE1-CD2 3.78Å; Y261-F421 AromaticContact CE1-CE2 3.78Å; Y261-F421 HydrophobicContact CE1-CE2 3.78Å; Y261-F421 HydrophobicContact CE2-CD2 4.42Å; Y261-F421 AromaticContact CE2-CE2 3.64Å; Y261-F421 HydrophobicContact CE2-CE2 3.64Å; Y261-F421 HydrophobicContact CE2-CZ 4.32Å; Y261-F421 AromaticContact CZ-CD2 3.68Å; Y261-F421 AromaticContact CZ-CE2 3.16Å; Y261-F421 AromaticContact CZ-CZ 3.8Å; Y261-F421 WeakPolarHBondContact OH-CE2 3.26Å; Y261-F421 WeakPolarHBondContact OH-CZ 3.39Å; I262-F421 PolarHBondContact O-N 3.46Å; F264-F421 WeakPolarHBondContact CB-O 3.41Å; F264-F421 WeakPolarHBondContact CD2-O 3.27Å; F264-F421 PolarHBondContact N-O 3.37Å; F264-F421 VanDerWaalsContact N-O 3.1Å; A267-F421 HydrophobicContact CB-CB 3.8Å; A267-F421 WeakPolarHBondContact CB-O 3.2Å; R271-F421 HydrophobicContact CG-CE1 4.13Å; A272-F421 HydrophobicContact CB-CB 4.12Å; A272-F421 HydrophobicContact CB-CD1 3.66Å; A272-F421 HydrophobicContact CB-CD2 4.38Å; A272-F421 HydrophobicContact CB-CE1 4.24Å; A272-F421 HydrophobicContact CB-CG 3.77Å; T275-F421 HydrophobicContact CG2-CZ 4.08Å; F421-N443 VanDerWaalsContact CA-OD1 3.23Å; F421-N443 WeakPolarHBondContact CA-OD1 3.48Å; F421-N443 HydrophobicContact CD1-CB 4.34Å; F421-N443 VanDerWaalsContact CE1-CA 3.49Å; F421-N443 HydrophobicContact CE1-CB 4.47Å
422S98.8Very high98.6Very high0 Ų038.9 Ų38.90%020%0.203CC..  trans-164148.3178.2179.80000109.2D266 N424 N443D266-S422 PolarHBondContact OD1-OG 3Å; D266-S422 PolarHBondContact OD2-OG 3.04Å; S422-N424 PolarHBondContact OG-N 2.78Å; S422-N443 PolarHBondContact N-OD1 3.4Å; S422-N443 PolarHBondContact O-ND2 2.75Å; S422-N443 PolarHBondContact O-OD1 2.82Å
423T98.4Very high98.6Very high102 Ų10242 Ų4263%0.62623%0.225SC*.SBendtrans-101.2-10.8174.960.10000112.3D266 I425D266-T423 WeakPolarHBondContact O-CG2 3.08Å; D266-T423 PolarHBondContact O-OG1 3.34Å; D266-T423 PolarHBondContact OD2-N 2.98Å; D266-T423 PolarHBondContact OD2-OG1 3.48Å; T423-I425 PolarHBondContact O-N 3.47Å
424N98.5Very high98.6Very high65 Ų6541.3 Ų41.335%0.34822%0.221SC..  trans-79.7116177.4-175.5-18.9000111.6D266 S422 H426 T427 V428D266-N424 VanDerWaalsContact OD2-CB 3.28Å; D266-N424 WeakPolarHBondContact OD2-CB 3.41Å; D266-N424 PolarHBondContact OD2-N 2.71Å; S422-N424 PolarHBondContact OG-N 2.78Å; N424-H426 PolarHBondContact O-N 2.94Å; N424-H426 WeakPolarHBondContact OD1-CB 3.38Å; N424-H426 PolarHBondContact OD1-N 2.99Å; N424-T427 PolarHBondContact O-N 3.41Å; N424-T427 VanDerWaalsContact O-N 3.17Å; N424-V428 WeakPolarHBondContact O-CG2 3.39Å; N424-V428 PolarHBondContact O-N 3.29Å
425I98.2Very high98.6Very high125 Ų12541 Ų4164%0.64122%0.22SC*.Hα-helixtrans-58.8-30.2179.3-165.7168.2000113.8T423 E429T423-I425 PolarHBondContact O-N 3.47Å; I425-E429 WeakPolarHBondContact O-CB 3.37Å; I425-E429 PolarHBondContact O-N 3.46Å
426H98.4Very high98.6Very high147 Ų14746.1 Ų46.168%0.68124%0.244SC*.Hα-helixtrans-71.6-43178.4-60.6-60.4000111.4N424 N430N424-H426 PolarHBondContact O-N 2.94Å; N424-H426 WeakPolarHBondContact OD1-CB 3.38Å; N424-H426 PolarHBondContact OD1-N 2.99Å; H426-N430 VanDerWaalsContact O-CB 3.24Å; H426-N430 WeakPolarHBondContact O-CB 3.3Å; H426-N430 PolarHBondContact O-N 3.23Å
427T98.6Very high98.6Very high11 Ų1146.9 Ų46.97%0.06725%0.247CC..Hα-helixtrans-64.7-43.2172.9-62.20000110.1F264 E402 N424 E429 N430 V431F264-T427 HydrophobicContact CD1-CG2 3.98Å; F264-T427 HydrophobicContact CD2-CG2 3.92Å; F264-T427 HydrophobicContact CE1-CG2 3.9Å; F264-T427 HydrophobicContact CE2-CG2 3.83Å; F264-T427 HydrophobicContact CG-CG2 4Å; F264-T427 HydrophobicContact CZ-CG2 3.82Å; E402-T427 WeakPolarHBondContact OE2-CG2 3.33Å; E402-T427 PolarHBondContact OE2-OG1 2.89Å; N424-T427 PolarHBondContact O-N 3.41Å; N424-T427 VanDerWaalsContact O-N 3.17Å; T427-E429 PolarHBondContact O-N 3.18Å; T427-N430 PolarHBondContact O-N 2.97Å; T427-V431 HydrophobicContact CG2-CG2 3.8Å; T427-V431 VanDerWaalsContact O-CB 3.23Å; T427-V431 WeakPolarHBondContact O-CB 3.39Å; T427-V431 WeakPolarHBondContact O-CG2 3.42Å; T427-V431 PolarHBondContact O-N 3.34Å
428V98.7Very high98.6Very high36 Ų3648.2 Ų48.222%0.21826%0.261CS..Hα-helixtrans-55.4-54.6176.6169.40000111.6F420 N424 S432 V442F420-V428 HydrophobicContact CE2-CB 4.32Å; F420-V428 HydrophobicContact CE2-CG2 4.03Å; F420-V428 HydrophobicContact CZ-CB 4.4Å; F420-V428 HydrophobicContact CZ-CG1 4.31Å; F420-V428 WeakPolarHBondContact CZ-O 3.44Å; N424-V428 WeakPolarHBondContact O-CG2 3.39Å; N424-V428 PolarHBondContact O-N 3.29Å; V428-S432 VanDerWaalsContact O-CB 3.23Å; V428-S432 WeakPolarHBondContact O-CB 3.44Å; V428-S432 PolarHBondContact O-N 2.69Å; V428-S432 PolarHBondContact O-OG 3.41Å; V428-V442 HydrophobicContact CG1-CG1 3.89Å; V428-V442 HydrophobicContact CG2-CG1 3.92Å
429E98.6Very high98.6Very high123 Ų12348.9 Ų48.958%0.57526%0.264SS*.Hα-helixtrans-63.7-42.8-179.3178.159.6-15700112.6I425 T427 S432 S433I425-E429 WeakPolarHBondContact O-CB 3.37Å; I425-E429 PolarHBondContact O-N 3.46Å; T427-E429 PolarHBondContact O-N 3.18Å; E429-S432 PolarHBondContact O-OG 3.28Å; E429-S433 VanDerWaalsContact O-CB 3.25Å; E429-S433 WeakPolarHBondContact O-CB 3.43Å; E429-S433 PolarHBondContact O-N 3.5Å; E429-S433 PolarHBondContact O-OG 3.3Å; E429-S433 PolarHBondContact OE1-OG 2.8Å
430N98.7Very high98.6Very high42 Ų4251.1 Ų51.123%0.22528%0.278CS..Hα-helixtrans-67.6-49.4-177.9-174.355.3000111.5E402 E403 H426 T427 S433 K434E402-N430 PolarHBondContact OE1-ND2 2.93Å; E403-N430 PolarHBondContact OE1-ND2 3.44Å; H426-N430 VanDerWaalsContact O-CB 3.24Å; H426-N430 WeakPolarHBondContact O-CB 3.3Å; H426-N430 PolarHBondContact O-N 3.23Å; T427-N430 PolarHBondContact O-N 2.97Å; N430-S433 PolarHBondContact O-N 3.03Å; N430-K434 WeakPolarHBondContact O-CB 3.35Å; N430-K434 WeakPolarHBondContact O-CG 3.41Å; N430-K434 PolarHBondContact O-N 2.83Å; N430-K434 VanDerWaalsContact O-N 3.14Å; N430-K434 WeakPolarHBondContact OD1-CD 3.3Å; N430-K434 WeakPolarHBondContact OD1-CE 3.28Å; N430-K434 PolarHBondContact OD1-NZ 3.45Å
431V98.8Very high98.6Very high0 Ų051.4 Ų51.40%028%0.28CS..Hα-helixtrans-67.7-46.5-177.7177.40000110.4F264 E402 I406 F420 T427 S433 K434 L435F264-V431 HydrophobicContact CE2-CG1 4.42Å; F264-V431 HydrophobicContact CE2-CG2 3.86Å; F264-V431 HydrophobicContact CZ-CG2 3.58Å; E402-V431 HydrophobicContact CG-CG2 4.11Å; I406-V431 HydrophobicContact CD1-CG2 3.99Å; I406-V431 HydrophobicContact CG1-CG2 4.29Å; F420-V431 HydrophobicContact CB-CG1 4.32Å; F420-V431 HydrophobicContact CD1-CB 4.39Å; F420-V431 HydrophobicContact CD1-CG1 3.59Å; F420-V431 HydrophobicContact CD2-CB 4.32Å; F420-V431 HydrophobicContact CD2-CG1 4.03Å; F420-V431 HydrophobicContact CE1-CB 4.13Å; F420-V431 HydrophobicContact CE1-CG1 3.77Å; F420-V431 HydrophobicContact CE2-CB 4.1Å; F420-V431 HydrophobicContact CE2-CG1 4.22Å; F420-V431 HydrophobicContact CG-CB 4.46Å; F420-V431 HydrophobicContact CG-CG1 3.71Å; F420-V431 HydrophobicContact CZ-CB 4Å; F420-V431 HydrophobicContact CZ-CG1 4.1Å; T427-V431 HydrophobicContact CG2-CG2 3.8Å; T427-V431 VanDerWaalsContact O-CB 3.23Å; T427-V431 WeakPolarHBondContact O-CB 3.39Å; T427-V431 WeakPolarHBondContact O-CG2 3.42Å; T427-V431 PolarHBondContact O-N 3.34Å; V431-S433 PolarHBondContact O-N 3.07Å; V431-K434 PolarHBondContact O-N 2.72Å; V431-L435 HydrophobicContact CG1-CD1 3.58Å; V431-L435 HydrophobicContact CG1-CG 3.95Å; V431-L435 WeakPolarHBondContact O-CB 3.49Å; V431-L435 VanDerWaalsContact O-CG 3.3Å; V431-L435 WeakPolarHBondContact O-CG 3.29Å; V431-L435 PolarHBondContact O-N 2.8Å
432S98.3Very high98.5Very high37 Ų3753.8 Ų53.826%0.25930%0.295SS..Hα-helixtrans-60.9-36.1-179.365.30000112.6V428 E429V428-S432 VanDerWaalsContact O-CB 3.23Å; V428-S432 WeakPolarHBondContact O-CB 3.44Å; V428-S432 PolarHBondContact O-N 2.69Å; V428-S432 PolarHBondContact O-OG 3.41Å; E429-S432 PolarHBondContact O-OG 3.28Å
433S98.2Very high98.5Very high82 Ų8256.3 Ų56.357%0.57331%0.309SS*.Hα-helixtrans-78.2-27.2-179.1-68.40000113.7E429 N430 V431E429-S433 VanDerWaalsContact O-CB 3.25Å; E429-S433 WeakPolarHBondContact O-CB 3.43Å; E429-S433 PolarHBondContact O-N 3.5Å; E429-S433 PolarHBondContact O-OG 3.3Å; E429-S433 PolarHBondContact OE1-OG 2.8Å; N430-S433 PolarHBondContact O-N 3.03Å; V431-S433 PolarHBondContact O-N 3.07Å
434K98.8Very high98.5Very high78 Ų7854.2 Ų54.234%0.33929%0.293SS..Hα-helixtrans-96.8-19.4-176.7-71.2178.7172.91740114.3E403 I406 N410 N430 V431 Q436E403-K434 IonicContact OE1-NZ 2.69Å; E403-K434 PolarHBondContact OE1-NZ 3.31Å; E403-K434 IonicContact OE2-NZ 2.68Å; E403-K434 PolarHBondContact OE2-NZ 3.21Å; I406-K434 HydrophobicContact CD1-CB 4.32Å; I406-K434 HydrophobicContact CD1-CD 4.01Å; I406-K434 HydrophobicContact CG2-CB 3.67Å; I406-K434 HydrophobicContact CG2-CD 4.43Å; N410-K434 PolarHBondContact ND2-O 3.16Å; N430-K434 WeakPolarHBondContact O-CB 3.35Å; N430-K434 WeakPolarHBondContact O-CG 3.41Å; N430-K434 PolarHBondContact O-N 2.83Å; N430-K434 VanDerWaalsContact O-N 3.14Å; N430-K434 WeakPolarHBondContact OD1-CD 3.3Å; N430-K434 WeakPolarHBondContact OD1-CE 3.28Å; N430-K434 PolarHBondContact OD1-NZ 3.45Å; V431-K434 PolarHBondContact O-N 2.72Å; K434-Q436 PolarHBondContact O-N 2.78Å
435L98.8Very high98.5Very high9 Ų951.9 Ų51.95%0.04728%0.282CS..  trans-66.4122.5173.2-76.8176.7000110.3I262 A409 F420 V431 Y437 V440I262-L435 HydrophobicContact CD1-CD2 4.34Å; A409-L435 HydrophobicContact CB-CD2 3.77Å; F420-L435 HydrophobicContact CD1-CD1 3.98Å; F420-L435 HydrophobicContact CE1-CD1 4.5Å; V431-L435 HydrophobicContact CG1-CD1 3.58Å; V431-L435 HydrophobicContact CG1-CG 3.95Å; V431-L435 WeakPolarHBondContact O-CB 3.49Å; V431-L435 VanDerWaalsContact O-CG 3.3Å; V431-L435 WeakPolarHBondContact O-CG 3.29Å; V431-L435 PolarHBondContact O-N 2.8Å; L435-Y437 VanDerWaalsContact C-N 3.31Å; L435-Y437 HydrophobicContact CB-CD2 3.96Å; L435-Y437 HydrophobicContact CD2-CD2 4.36Å; L435-Y437 HydrophobicContact CD2-CE2 4.11Å; L435-Y437 PolarHBondContact O-N 2.85Å; L435-Y437 VanDerWaalsContact O-N 3.11Å; L435-V440 HydrophobicContact CB-CG2 4.47Å; L435-V440 HydrophobicContact CD1-CG1 4.21Å
436Q98.7Very high98.3Very high106 Ų10650.6 Ų50.650%0.49528%0.283SS..  trans-90.660.8-174.5-61.9173.4-800111.7N410 K434 V457 K458N410-Q436 WeakPolarHBondContact OD1-CB 3.34Å; N410-Q436 PolarHBondContact OD1-N 2.94Å; K434-Q436 PolarHBondContact O-N 2.78Å; Q436-V457 WeakPolarHBondContact O-CG2 3.25Å; Q436-K458 VanDerWaalsContact OE1-NZ 3.15Å
437Y98.7Very high98Very high18 Ų1844.7 Ų44.77%0.07126%0.257CS..  trans-128.5151.1-175.7-65.7-97.3000110.6P260 R293 A409 T412 G415 A417 L435 M439P260-Y437 WeakPolarHBondContact CD-OH 3.45Å; P260-Y437 HydrophobicContact CG-CE1 4.2Å; P260-Y437 HydrophobicContact CG-CE2 3.94Å; R293-Y437 PolarHBondContact NH2-OH 3.46Å; A409-Y437 PolarHBondContact O-OH 2.74Å; T412-Y437 VanDerWaalsContact CG2-OH 3.23Å; T412-Y437 WeakPolarHBondContact CG2-OH 3.33Å; G415-Y437 WeakPolarHBondContact O-CA 3.29Å; A417-Y437 WeakPolarHBondContact O-CD1 3.35Å; A417-Y437 WeakPolarHBondContact O-CE1 3.45Å; L435-Y437 VanDerWaalsContact C-N 3.31Å; L435-Y437 HydrophobicContact CB-CD2 3.96Å; L435-Y437 HydrophobicContact CD2-CD2 4.36Å; L435-Y437 HydrophobicContact CD2-CE2 4.11Å; L435-Y437 PolarHBondContact O-N 2.85Å; L435-Y437 VanDerWaalsContact O-N 3.11Å; Y437-M439 VanDerWaalsContact C-N 3.28Å; Y437-M439 PolarHBondContact O-N 3.48Å
438G98.1Very high97.8Very high29 Ų2947 Ų4730%0.29927%0.273SS..SBendtrans-71.3-25.6178.400000113.4G415 L416 G455G415-G438 PolarHBondContact O-N 3.14Å; L416-G438 PolarHBondContact O-N 3.36Å; G438-G455 CarbonylContact C-O 3.58Å; G438-G455 VanDerWaalsContact CA-O 3.3Å; G438-G455 WeakPolarHBondContact CA-O 3.34Å
439M98.5Very high97.6Very high14 Ų1448.9 Ų48.97%0.06928%0.282CS..EExtended strand (participates in β ladder)trans-136.5132.5177.8-61174.6-71.200110.4T289 L416 A417 S418 Y437 I447 F454T289-M439 HydrophobicContact CG2-CE 4.07Å; L416-M439 HydrophobicContact CD1-CE 3.62Å; L416-M439 HydrophobicContact CG-CE 3.86Å; L416-M439 PolarHBondContact O-N 3.37Å; A417-M439 CarbonylContact C-O 3.47Å; A417-M439 WeakPolarHBondContact CA-O 3.37Å; A417-M439 HydrophobicContact CB-CE 4.42Å; S418-M439 PolarHBondContact N-O 2.8Å; Y437-M439 VanDerWaalsContact C-N 3.28Å; Y437-M439 PolarHBondContact O-N 3.48Å; M439-I447 HydrophobicContact CB-CB 4.47Å; M439-I447 HydrophobicContact CB-CD1 3.83Å; M439-I447 HydrophobicContact CE-CD1 4.08Å; M439-I447 HydrophobicContact SD-CD1 4.12Å; M439-F454 HydrophobicContact CE-CD1 4.12Å; M439-F454 HydrophobicContact CE-CD2 3.77Å; M439-F454 HydrophobicContact CE-CE1 4.05Å; M439-F454 HydrophobicContact CE-CE2 3.7Å; M439-F454 HydrophobicContact CE-CG 4.01Å; M439-F454 HydrophobicContact CE-CZ 3.86Å; M439-F454 HydrophobicContact SD-CB 4.15Å; M439-F454 HydrophobicContact SD-CD1 4.4Å; M439-F454 HydrophobicContact SD-CD2 3.45Å; M439-F454 WeakPolarHBondContact SD-CD2 3.28Å; M439-F454 HydrophobicContact SD-CE2 3.95Å; M439-F454 HydrophobicContact SD-CG 3.74Å
440V98.6Very high97.5Very high49 Ų4943.6 Ų43.630%0.29726%0.259SS..EExtended strand (participates in β ladder)trans-126.2118.6179.9-173.60000109.3S418 F420 L435 V442S418-V440 CarbonylContact O-C 3.5Å; S418-V440 WeakPolarHBondContact O-CA 3.42Å; F420-V440 HydrophobicContact CD1-CG1 4.07Å; F420-V440 HydrophobicContact CE1-CG1 3.8Å; L435-V440 HydrophobicContact CB-CG2 4.47Å; L435-V440 HydrophobicContact CD1-CG1 4.21Å; V440-V442 HydrophobicContact CG1-CG2 4.49Å
441G98.5Very high97.3Very high5 Ų543.6 Ų43.65%0.05226%0.264CS..EExtended strand (participates in β ladder)trans-93.5132.7171.100000111.4S418 Y419 F420 D444S418-G441 PolarHBondContact O-N 3.16Å; Y419-G441 WeakPolarHBondContact CA-O 3.24Å; F420-G441 PolarHBondContact N-O 2.82Å; G441-D444 CarbonylContact C-O 3.55Å; G441-D444 WeakPolarHBondContact CA-O 3.45Å
442V98.6Very high97.2Very high51 Ų5146.3 Ų46.331%0.30928%0.281SS..EExtended strand (participates in β ladder)trans-119.1116.5178.1-172.60000108.4F420 V428 V440 D444F420-V442 HydrophobicContact CD1-CG2 4.37Å; F420-V442 HydrophobicContact CE1-CB 4.37Å; F420-V442 HydrophobicContact CE1-CG1 4.37Å; F420-V442 HydrophobicContact CE1-CG2 3.51Å; F420-V442 HydrophobicContact CE2-CG1 3.8Å; F420-V442 HydrophobicContact CE2-CG2 4.42Å; F420-V442 HydrophobicContact CZ-CB 4.17Å; F420-V442 HydrophobicContact CZ-CG1 3.71Å; F420-V442 HydrophobicContact CZ-CG2 3.53Å; F420-V442 WeakPolarHBondContact O-CA 3.15Å; V428-V442 HydrophobicContact CG1-CG1 3.89Å; V428-V442 HydrophobicContact CG2-CG1 3.92Å; V440-V442 HydrophobicContact CG1-CG2 4.49Å; V442-D444 PolarHBondContact O-N 2.95Å
443N98.4Very high97.2Very high54 Ų5447.1 Ų47.129%0.28929%0.286SS..SBendtrans5716.4-175.1-57.9-45000114.8R271 F420 F421 S422R271-N443 PolarHBondContact NE-O 2.69Å; R271-N443 PolarHBondContact NH2-O 3.13Å; F420-N443 PolarHBondContact O-N 2.85Å; F421-N443 VanDerWaalsContact CA-OD1 3.23Å; F421-N443 WeakPolarHBondContact CA-OD1 3.48Å; F421-N443 HydrophobicContact CD1-CB 4.34Å; F421-N443 VanDerWaalsContact CE1-CA 3.49Å; F421-N443 HydrophobicContact CE1-CB 4.47Å; S422-N443 PolarHBondContact N-OD1 3.4Å; S422-N443 PolarHBondContact O-ND2 2.75Å; S422-N443 PolarHBondContact O-OD1 2.82Å
444D98.2Very high97.2Very high58 Ų5843.7 Ų43.731%0.3126%0.26SS..  trans-160.2156.1179.2-160.73.1000110R271 G441 V442 S446R271-D444 VanDerWaalsContact NH2-CG 3.25Å; R271-D444 IonicContact NH2-OD1 3.99Å; R271-D444 PolarHBondContact NH2-OD1 2.78Å; R271-D444 IonicContact NH2-OD2 2.71Å; G441-D444 CarbonylContact C-O 3.55Å; G441-D444 WeakPolarHBondContact CA-O 3.45Å; V442-D444 PolarHBondContact O-N 2.95Å; D444-S446 PolarHBondContact OD1-N 3.43Å; D444-S446 PolarHBondContact OD1-OG 2.98Å
445T97.6Very high97.1Very high16 Ų1640 Ų4010%0.09824%0.244CC..  trans-113.1-3.5176.154.80000113.3Y261 T275 T279 Y419 I447Y261-T445 HydrophobicContact CD2-CG2 4.35Å; Y261-T445 HydrophobicContact CE2-CG2 3.63Å; T275-T445 HydrophobicContact CG2-CG2 3.49Å; T275-T445 VanDerWaalsContact CG2-CG2 3.49Å; T275-T445 WeakPolarHBondContact CG2-OG1 3.47Å; T279-T445 HydrophobicContact CG2-CG2 4.16Å; T279-T445 VanDerWaalsContact OG1-CB 3.27Å; T279-T445 WeakPolarHBondContact OG1-CB 3.49Å; T279-T445 WeakPolarHBondContact OG1-CG2 3.01Å; T279-T445 PolarHBondContact OG1-OG1 2.95Å; Y419-T445 HydrophobicContact CD1-CG2 3.67Å; Y419-T445 HydrophobicContact CD2-CG2 4.36Å; Y419-T445 HydrophobicContact CE1-CG2 3.91Å; Y419-T445 HydrophobicContact CG-CG2 3.89Å; T445-I447 PolarHBondContact O-N 2.91Å
446S93.7Very high97.1Very high97 Ų9739.6 Ų39.668%0.67824%0.242SC*.  trans-72.974178.9-56.30000111.5D444D444-S446 PolarHBondContact OD1-N 3.43Å; D444-S446 PolarHBondContact OD1-OG 2.98Å
447I93.6Very high97.1Very high24 Ų2437 Ų3712%0.12323%0.234CC..  trans-101.5-3.9-175.260.3166.7000114.1T289 A417 Y419 M439 T445T289-I447 HydrophobicContact CG2-CD1 4.16Å; A417-I447 HydrophobicContact CB-CD1 3.37Å; Y419-I447 HydrophobicContact CD1-CG2 4.48Å; Y419-I447 HydrophobicContact CE1-CD1 3.77Å; Y419-I447 HydrophobicContact CE1-CG1 4.05Å; Y419-I447 HydrophobicContact CE1-CG2 3.92Å; Y419-I447 WeakPolarHBondContact OH-CD1 3.44Å; M439-I447 HydrophobicContact CB-CB 4.47Å; M439-I447 HydrophobicContact CB-CD1 3.83Å; M439-I447 HydrophobicContact CE-CD1 4.08Å; M439-I447 HydrophobicContact SD-CD1 4.12Å; T445-I447 PolarHBondContact O-N 2.91Å
448S93.7Very high97Very high59 Ų5939.7 Ų39.741%0.41325%0.246SC..  trans-109.3117.7177.6-165.30000110.3R164 F454R164-S448 PolarHBondContact NH1-OG 3.37Å; S448-F454 WeakPolarHBondContact OG-CD2 3.41Å
449N94.9Very high97Very high75 Ų7542.3 Ų42.340%0.40125%0.25SS..  trans-144.4151.5174.5-172.2-83.4000109A451 T452 N466N449-A451 PolarHBondContact O-N 2.92Å; N449-A451 VanDerWaalsContact OD1-CB 3.24Å; N449-A451 WeakPolarHBondContact OD1-CB 3.42Å; N449-A451 PolarHBondContact OD1-N 3.43Å; N449-T452 HydrophobicContact CB-CG2 4.25Å; N449-T452 PolarHBondContact N-OG1 3.2Å; N449-T452 PolarHBondContact O-N 2.93Å; N449-T452 PolarHBondContact O-OG1 3.11Å; N449-N466 WeakPolarHBondContact O-CB 2.86Å; N449-N466 PolarHBondContact O-ND2 3.26Å
450S95.9Very high97Very high12 Ų1241.7 Ų41.78%0.08425%0.247CC..THydrogen-bonded Turntrans-61.4-26.1177.164.10000112.5W118 G467W118-S450 PolarHBondContact NE1-O 3.19Å; W118-S450 VanDerWaalsContact NE1-O 3.13Å; S450-G467 WeakPolarHBondContact O-CA 3.34Å; S450-G467 PolarHBondContact O-N 3.43Å
451A95.7Very high97Very high42 Ų4239.6 Ų39.635%0.34724%0.236SC..THydrogen-bonded Turntrans-86.7-14.8-17800000115W118 N449W118-A451 HydrophobicContact CD2-CB 4.34Å; W118-A451 HydrophobicContact CE3-CB 4.01Å; W118-A451 HydrophobicContact CH2-CB 3.36Å; W118-A451 VanDerWaalsContact CZ2-CA 3.49Å; W118-A451 HydrophobicContact CZ2-CB 3.74Å; W118-A451 HydrophobicContact CZ3-CB 3.51Å; N449-A451 PolarHBondContact O-N 2.92Å; N449-A451 VanDerWaalsContact OD1-CB 3.24Å; N449-A451 WeakPolarHBondContact OD1-CB 3.42Å; N449-A451 PolarHBondContact OD1-N 3.43Å
452T96.5Very high97Very high57 Ų5743.8 Ų43.835%0.3525%0.253SS..SBendtrans-108.4152.3-176.560.80000110.6N449 N466 G467N449-T452 HydrophobicContact CB-CG2 4.25Å; N449-T452 PolarHBondContact N-OG1 3.2Å; N449-T452 PolarHBondContact O-N 2.93Å; N449-T452 PolarHBondContact O-OG1 3.11Å; T452-N466 CarbonylContact O-C 3.59Å; T452-N466 WeakPolarHBondContact O-CB 3.31Å; T452-G467 PolarHBondContact O-N 3.2Å
453P96.9Very high96.9Very high55 Ų5542 Ų4236%0.35724%0.244SC..  trans-64.1142.6171.126.7-32.7000110.6R464 Y469P453-R464 HydrophobicContact CB-CG 4.46Å; P453-Y469 HydrophobicContact CB-CD2 3.74Å; P453-Y469 HydrophobicContact CB-CE2 4.35Å; P453-Y469 HydrophobicContact CB-CG 4.37Å; P453-Y469 HydrophobicContact CG-CD2 4.06Å; P453-Y469 HydrophobicContact CG-CE2 4.19Å
454F98.4Very high96.8Very high9 Ų942.4 Ų42.44%0.03924%0.242CC..BIsolated β-bridgetrans-123.3129169.3-172.9-76.7000108.7E254 T289 L416 M439 S448 R464 E465 N466E254-F454 WeakPolarHBondContact OE2-CD1 3.39Å; E254-F454 WeakPolarHBondContact OE2-CE1 3.47Å; T289-F454 HydrophobicContact CG2-CE2 3.85Å; T289-F454 HydrophobicContact CG2-CZ 3.66Å; L416-F454 HydrophobicContact CD1-CE1 4.25Å; M439-F454 HydrophobicContact CE-CD1 4.12Å; M439-F454 HydrophobicContact CE-CD2 3.77Å; M439-F454 HydrophobicContact CE-CE1 4.05Å; M439-F454 HydrophobicContact CE-CE2 3.7Å; M439-F454 HydrophobicContact CE-CG 4.01Å; M439-F454 HydrophobicContact CE-CZ 3.86Å; M439-F454 HydrophobicContact SD-CB 4.15Å; M439-F454 HydrophobicContact SD-CD1 4.4Å; M439-F454 HydrophobicContact SD-CD2 3.45Å; M439-F454 WeakPolarHBondContact SD-CD2 3.28Å; M439-F454 HydrophobicContact SD-CE2 3.95Å; M439-F454 HydrophobicContact SD-CG 3.74Å; S448-F454 WeakPolarHBondContact OG-CD2 3.41Å; F454-R464 CarbonylContact O-C 3.58Å; F454-R464 WeakPolarHBondContact O-CA 3.43Å; F454-E465 HydrophobicContact CB-CB 4.47Å; F454-E465 PolarHBondContact N-O 3.02Å; F454-E465 PolarHBondContact O-N 2.93Å; F454-N466 HydrophobicContact CB-CB 4.43Å
455G97.7Very high96.8Very high0 Ų039.9 Ų39.90%023%0.228CC..  trans158.4164.9171.100000114.3E254 G438E254-G455 WeakPolarHBondContact OE1-CA 3.48Å; E254-G455 WeakPolarHBondContact OE2-CA 3.46Å; G438-G455 CarbonylContact C-O 3.58Å; G438-G455 VanDerWaalsContact CA-O 3.3Å; G438-G455 WeakPolarHBondContact CA-O 3.34Å
456G97.8Very high96.7Very high1 Ų139.2 Ų39.21%0.0122%0.224CC..  trans-99.1-175.8-169.400000115.9G415 G461 R464G415-G456 WeakPolarHBondContact O-CA 3.18Å; G456-G461 CarbonylContact C-O 3.59Å; G456-R464 PolarHBondContact O-NH1 3.28Å; G456-R464 PolarHBondContact O-NH2 3.5Å
457V98.4Very high96.8Very high53 Ų5334.7 Ų34.732%0.32119%0.192SC..  trans-135.1179.4164.5-63.10000109.1G415 Q436 S460G415-V457 WeakPolarHBondContact CA-O 3.43Å; G415-V457 WeakPolarHBondContact O-CG2 3.49Å; G415-V457 PolarHBondContact O-N 3.01Å; Q436-V457 WeakPolarHBondContact O-CG2 3.25Å; V457-S460 WeakPolarHBondContact O-CB 3.49Å; V457-S460 PolarHBondContact O-N 2.94Å; V457-S460 VanDerWaalsContact O-N 3.14Å
458K97.9Very high96.9Very high74 Ų7436.3 Ų36.332%0.32220%0.204SC..G310 helixtrans56-135-176.3-55.1175.8176.1-1790111.3N410 T412 E413 Q436 S460 G461N410-K458 PolarHBondContact O-NZ 2.95Å; T412-K458 PolarHBondContact O-NZ 3.33Å; E413-K458 WeakPolarHBondContact O-CB 3.41Å; Q436-K458 VanDerWaalsContact OE1-NZ 3.15Å; K458-S460 PolarHBondContact O-N 3.46Å; K458-G461 PolarHBondContact O-N 3.25Å
459H98Very high97Very high84 Ų8439.9 Ų39.939%0.38921%0.209SC..G310 helixtrans-83.32.3178.5-66.3-173.2000113.4T234 E413 G461T234-H459 HydrophobicContact CG2-CB 3.92Å; T234-H459 WeakPolarHBondContact CG2-O 3.49Å; T234-H459 PolarHBondContact OG1-O 2.88Å; T234-H459 VanDerWaalsContact OG1-O 3.04Å; E413-H459 HydrophobicContact CB-CB 4.06Å; E413-H459 HydrophobicContact CG-CB 4.25Å; E413-H459 WeakPolarHBondContact O-CB 3.35Å; E413-H459 PolarHBondContact O-N 3.49Å; E413-H459 IonicContact OE2-CE1 2.77Å; E413-H459 IonicContact OE2-CG 2.8Å; E413-H459 IonicContact OE2-ND1 2.73Å; E413-H459 PolarHBondContact OE2-ND1 2.89Å; H459-G461 PolarHBondContact O-N 2.93Å
460S98.6Very high97.1Very high0 Ų036.3 Ų36.30%019%0.19CC..G310 helixtrans-79.72166.1-65.60000113.1L255 G256 F414 G415 L416 V457 K458L255-S460 PolarHBondContact N-O 2.88Å; G256-S460 WeakPolarHBondContact O-CB 3.4Å; G256-S460 PolarHBondContact O-OG 3.44Å; F414-S460 WeakPolarHBondContact CA-OG 3.48Å; G415-S460 PolarHBondContact N-OG 3.39Å; L416-S460 PolarHBondContact N-OG 3.09Å; L416-S460 VanDerWaalsContact N-OG 3.13Å; V457-S460 WeakPolarHBondContact O-CB 3.49Å; V457-S460 PolarHBondContact O-N 2.94Å; V457-S460 VanDerWaalsContact O-N 3.14Å; K458-S460 PolarHBondContact O-N 3.46Å
461G98Very high97.2Very high6 Ų635.8 Ų35.86%0.06219%0.186CC..EExtended strand (participates in β ladder)trans96.9-158.4170.500000113.8M253 G456 K458 H459M253-G461 CarbonylContact O-C 3.32Å; M253-G461 VanDerWaalsContact O-CA 3.27Å; M253-G461 WeakPolarHBondContact O-CA 3.44Å; G456-G461 CarbonylContact C-O 3.59Å; K458-G461 PolarHBondContact O-N 3.25Å; H459-G461 PolarHBondContact O-N 2.93Å
462F97.7Very high97.2Very high92 Ų9237 Ų3740%0.40419%0.185SC..EExtended strand (participates in β ladder)trans-161.3167.1-169.958.7-94000111.4V251 S252 M253V251-F462 HydrophobicContact CG2-CE2 3.52Å; V251-F462 HydrophobicContact CG2-CZ 3.48Å; V251-F462 VanDerWaalsContact CG2-CZ 3.48Å; V251-F462 VanDerWaalsContact O-CE2 3.3Å; V251-F462 WeakPolarHBondContact O-CE2 3.37Å; S252-F462 CarbonylContact C-O 3.59Å; S252-F462 WeakPolarHBondContact CA-O 3.43Å; M253-F462 HydrophobicContact CB-CE1 4.45Å; M253-F462 HydrophobicContact CG-CE1 4.09Å; M253-F462 HydrophobicContact CG-CZ 4.08Å; M253-F462 PolarHBondContact N-O 3.08Å; M253-F462 PolarHBondContact O-N 3.34Å
463G97Very high97.2Very high13 Ų1336.9 Ų36.913%0.13418%0.18CC..SBendtrans84.5170.6-163.100000110.5E473G463-E473 WeakPolarHBondContact CA-OE1 3.31Å
464R97.1Very high97.3Very high64 Ų6434.5 Ų34.524%0.24216%0.164CC..  trans-131.6141.3177.3-63.6-64.7176.9-103.39.9110.7P453 F454 G456 G470 E473P453-R464 HydrophobicContact CB-CG 4.46Å; F454-R464 CarbonylContact O-C 3.58Å; F454-R464 WeakPolarHBondContact O-CA 3.43Å; G456-R464 PolarHBondContact O-NH1 3.28Å; G456-R464 PolarHBondContact O-NH2 3.5Å; R464-G470 WeakPolarHBondContact O-CA 3.13Å; R464-E473 VanDerWaalsContact O-CG 3.22Å; R464-E473 WeakPolarHBondContact O-CG 3.31Å
465E96.8Very high97.3Very high5 Ų534.7 Ų34.72%0.02317%0.166CC..BIsolated β-bridgetrans-99.6168.2162.8-62.5-173.2170.300109.4R164 K165 T231 E254 F454R164-E465 IonicContact CZ-OE2 2.86Å; R164-E465 IonicContact NE-OE2 2.69Å; R164-E465 PolarHBondContact NE-OE2 3.5Å; R164-E465 IonicContact NH2-OE2 2.8Å; R164-E465 PolarHBondContact NH2-OE2 3.43Å; K165-E465 IonicContact NZ-OE1 2.64Å; K165-E465 PolarHBondContact NZ-OE1 3.34Å; T231-E465 PolarHBondContact OG1-OE1 3.4Å; E254-E465 HydrophobicContact CG-CG 3.9Å; F454-E465 HydrophobicContact CB-CB 4.47Å; F454-E465 PolarHBondContact N-O 3.02Å; F454-E465 PolarHBondContact O-N 2.93Å
466N96.1Very high97.3Very high2 Ų238 Ų381%0.01118%0.184CC..SBendtrans58.1171.1178.8-58.71.2000115.1N115 R164 N449 T452 F454 G470N115-N466 PolarHBondContact OD1-OD1 3.44Å; R164-N466 PolarHBondContact NE-OD1 2.8Å; N449-N466 WeakPolarHBondContact O-CB 2.86Å; N449-N466 PolarHBondContact O-ND2 3.26Å; T452-N466 CarbonylContact O-C 3.59Å; T452-N466 WeakPolarHBondContact O-CB 3.31Å; F454-N466 HydrophobicContact CB-CB 4.43Å; N466-G470 VanDerWaalsContact O-CA 3.31Å; N466-G470 WeakPolarHBondContact O-CA 3.36Å; N466-G470 PolarHBondContact O-N 3.1Å
467G95.3Very high97.3Very high1 Ų142.8 Ų42.81%0.0121%0.213CC..Hα-helixtrans59.9-163.3-177.900000112.9S450 T452 Y469S450-G467 WeakPolarHBondContact O-CA 3.34Å; S450-G467 PolarHBondContact O-N 3.43Å; T452-G467 PolarHBondContact O-N 3.2Å; G467-Y469 VanDerWaalsContact C-N 3.31Å
468T96.3Very high97.3Very high59 Ų5945.2 Ų45.236%0.36222%0.219SC..Hα-helixtrans-67.6-34.5173-56.20000111.6E122 G470 V471 E472E122-T468 VanDerWaalsContact OE2-CA 3.24Å; E122-T468 WeakPolarHBondContact OE2-CA 3.21Å; E122-T468 WeakPolarHBondContact OE2-CB 3.03Å; E122-T468 WeakPolarHBondContact OE2-CG2 3.11Å; E122-T468 PolarHBondContact OE2-OG1 3.37Å; T468-G470 VanDerWaalsContact C-N 3.27Å; T468-G470 PolarHBondContact O-N 3Å; T468-V471 VanDerWaalsContact O-CG1 3.28Å; T468-V471 WeakPolarHBondContact O-CG1 3.41Å; T468-V471 PolarHBondContact O-N 2.87Å; T468-E472 HydrophobicContact CG2-CG 4.44Å; T468-E472 WeakPolarHBondContact O-CG 3.37Å; T468-E472 PolarHBondContact O-N 3.39Å
469Y95.7Very high97.3Very high134 Ų13447.4 Ų47.453%0.52523%0.229SC..Hα-helixtrans-61.4-36179.8-57.3-80.9000112.5P453 G467 V471 E472 E473P453-Y469 HydrophobicContact CB-CD2 3.74Å; P453-Y469 HydrophobicContact CB-CE2 4.35Å; P453-Y469 HydrophobicContact CB-CG 4.37Å; P453-Y469 HydrophobicContact CG-CD2 4.06Å; P453-Y469 HydrophobicContact CG-CE2 4.19Å; G467-Y469 VanDerWaalsContact C-N 3.31Å; Y469-V471 PolarHBondContact O-N 3.38Å; Y469-E472 PolarHBondContact O-N 2.89Å; Y469-E473 PolarHBondContact O-N 3.48Å
470G96.9Very high97.3Very high0 Ų045 Ų450%022%0.22CC..Hα-helixtrans-62.2-42.2-179.900000113.8R464 N466 T468 E472 Y474R464-G470 WeakPolarHBondContact O-CA 3.13Å; N466-G470 VanDerWaalsContact O-CA 3.31Å; N466-G470 WeakPolarHBondContact O-CA 3.36Å; N466-G470 PolarHBondContact O-N 3.1Å; T468-G470 VanDerWaalsContact C-N 3.27Å; T468-G470 PolarHBondContact O-N 3Å; G470-E472 VanDerWaalsContact C-N 3.35Å; G470-Y474 WeakPolarHBondContact O-CD2 3.48Å; G470-Y474 WeakPolarHBondContact O-CE2 3.34Å
471V97.7Very high97.2Very high1 Ų149 Ų491%0.00624%0.241CC..Hα-helixtrans-74.6-28.8175.972.50000111.9E122 L126 P168 A171 A172 T468 Y469 E473 Y474E122-V471 HydrophobicContact CB-CB 4.3Å; E122-V471 HydrophobicContact CB-CG1 3.78Å; L126-V471 HydrophobicContact CD1-CG2 3.96Å; L126-V471 HydrophobicContact CD2-CG1 3.78Å; L126-V471 HydrophobicContact CD2-CG2 4.11Å; L126-V471 HydrophobicContact CG-CG1 4.41Å; L126-V471 HydrophobicContact CG-CG2 4.23Å; P168-V471 HydrophobicContact CB-CB 4.3Å; A171-V471 HydrophobicContact CB-CG2 4.25Å; A172-V471 HydrophobicContact CB-CG2 4.15Å; T468-V471 VanDerWaalsContact O-CG1 3.28Å; T468-V471 WeakPolarHBondContact O-CG1 3.41Å; T468-V471 PolarHBondContact O-N 2.87Å; Y469-V471 PolarHBondContact O-N 3.38Å; V471-E473 VanDerWaalsContact C-N 3.26Å; V471-E473 PolarHBondContact O-N 3.43Å; V471-Y474 PolarHBondContact O-N 3.16Å; V471-Y474 VanDerWaalsContact O-N 3.13Å
472E96.7Very high97.2Very high68 Ų6851.5 Ų51.532%0.31825%0.252SS..Hα-helixtrans-67.6-26179.9-73.1-175.6152.900113.1K143 T468 Y469 G470 Y474 V475K143-E472 IonicContact NZ-OE1 3.11Å; K143-E472 PolarHBondContact NZ-OE1 3.38Å; T468-E472 HydrophobicContact CG2-CG 4.44Å; T468-E472 WeakPolarHBondContact O-CG 3.37Å; T468-E472 PolarHBondContact O-N 3.39Å; Y469-E472 PolarHBondContact O-N 2.89Å; G470-E472 VanDerWaalsContact C-N 3.35Å; E472-Y474 PolarHBondContact O-N 2.75Å; E472-Y474 VanDerWaalsContact O-N 3.09Å; E472-V475 WeakPolarHBondContact O-CG2 3.28Å; E472-V475 PolarHBondContact O-N 3.1Å
473E97.4Very high97.2Very high54 Ų5455.4 Ų55.425%0.25226%0.264SS..THydrogen-bonded Turntrans-60.5-15.5171.4-76.8-63.814100114.4K227 G463 R464 Y469 V471K227-E473 VanDerWaalsContact CD-O 3.31Å; K227-E473 WeakPolarHBondContact CD-O 3.41Å; K227-E473 WeakPolarHBondContact CE-O 3.23Å; K227-E473 PolarHBondContact NZ-O 3.25Å; K227-E473 IonicContact NZ-OE2 3.69Å; K227-E473 PolarHBondContact NZ-OE2 3.47Å; K227-E473 VanDerWaalsContact NZ-OE2 3.11Å; G463-E473 WeakPolarHBondContact CA-OE1 3.31Å; R464-E473 VanDerWaalsContact O-CG 3.22Å; R464-E473 WeakPolarHBondContact O-CG 3.31Å; Y469-E473 PolarHBondContact O-N 3.48Å; V471-E473 VanDerWaalsContact C-N 3.26Å; V471-E473 PolarHBondContact O-N 3.43Å
474Y98.7Very high97.1Very high4 Ų458.4 Ų58.42%0.01628%0.281CS..THydrogen-bonded Turntrans-111.413.6-175.4-59.9-89.9000113A145 V146 V149 K165 P168 A169 C174 K227 T229 G470 V471 E472A145-Y474 WeakPolarHBondContact CA-O 3.28Å; V146-Y474 PolarHBondContact N-O 2.72Å; V149-Y474 HydrophobicContact CG1-CD1 4.45Å; V149-Y474 HydrophobicContact CG1-CE1 3.94Å; V149-Y474 HydrophobicContact CG2-CD1 3.9Å; V149-Y474 HydrophobicContact CG2-CE1 4.23Å; K165-Y474 PolarHBondContact O-OH 3.34Å; P168-Y474 HydrophobicContact CB-CD2 3.7Å; P168-Y474 HydrophobicContact CB-CE2 3.58Å; P168-Y474 HydrophobicContact CG-CD2 4.08Å; P168-Y474 HydrophobicContact CG-CE2 3.43Å; P168-Y474 VanDerWaalsContact CG-CE2 3.43Å; A169-Y474 HydrophobicContact CB-CD1 3.59Å; A169-Y474 HydrophobicContact CB-CE1 3.65Å; A169-Y474 HydrophobicContact CB-CG 4.23Å; C174-Y474 PolarHBondContact SG-O 3.26Å; K227-Y474 HydrophobicContact CD-CD1 3.64Å; K227-Y474 HydrophobicContact CD-CE1 3.75Å; K227-Y474 HydrophobicContact CD-CG 4.36Å; K227-Y474 VanDerWaalsContact CE-CE1 3.48Å; T229-Y474 HydrophobicContact CG2-CE1 4.27Å; G470-Y474 WeakPolarHBondContact O-CD2 3.48Å; G470-Y474 WeakPolarHBondContact O-CE2 3.34Å; V471-Y474 PolarHBondContact O-N 3.16Å; V471-Y474 VanDerWaalsContact O-N 3.13Å; E472-Y474 PolarHBondContact O-N 2.75Å; E472-Y474 VanDerWaalsContact O-N 3.09Å
475V98.3Very high96.7Very high13 Ų1357.1 Ų57.18%0.07928%0.283CS..EExtended strand (participates in β ladder)trans-124.6144.6176.1-57.40000113.5L126 K143 Q144 A172 E472L126-V475 HydrophobicContact CD1-CG1 3.83Å; L126-V475 HydrophobicContact CD2-CG1 3.95Å; L126-V475 HydrophobicContact CD2-CG2 4.45Å; K143-V475 HydrophobicContact CB-CB 4.15Å; K143-V475 HydrophobicContact CB-CG1 4.41Å; K143-V475 HydrophobicContact CB-CG2 4.03Å; K143-V475 HydrophobicContact CD-CG2 4.18Å; K143-V475 HydrophobicContact CG-CG2 4.12Å; Q144-V475 CarbonylContact O-C 3.49Å; Q144-V475 WeakPolarHBondContact O-CA 3.36Å; Q144-V475 WeakPolarHBondContact O-CB 3.22Å; A172-V475 HydrophobicContact CB-CG1 3.91Å; E472-V475 WeakPolarHBondContact O-CG2 3.28Å; E472-V475 PolarHBondContact O-N 3.1Å
476N97.5Very high96.1Very high69 Ų6969.6 Ų69.637%0.36934%0.338SS..EExtended strand (participates in β ladder)trans-88.4130.1163.8-75-41.4000110K143 Q144K143-N476 WeakPolarHBondContact CA-O 3.49Å; Q144-N476 PolarHBondContact N-O 3.46Å; Q144-N476 PolarHBondContact O-N 3.02Å
477V97Very high96.1Very high103 Ų10373 Ų7362%0.62435%0.354SS*.EExtended strand (participates in β ladder)trans-85.8111.7172.3-177.60000109V141V141-V477 HydrophobicContact CG1-CG1 3.4Å
478K97.8Very high96.2Very high103 Ų10376.8 Ų76.845%0.44837%0.372SS..EExtended strand (participates in β ladder)trans-111.9117-176-178.5172.7-71170.30111.3V141 R142 V480V141-K478 CarbonylContact C-O 3.53Å; V141-K478 WeakPolarHBondContact CA-O 3.15Å; R142-K478 HydrophobicContact CB-CB 4.47Å; R142-K478 PolarHBondContact N-O 3.12Å; R142-K478 PolarHBondContact O-N 3.35Å; K478-V480 HydrophobicContact CD-CG2 4.45Å; K478-V480 HydrophobicContact CG-CG2 4.14Å
479F98.2Very high96.2Very high120 Ų12077.8 Ų77.853%0.52637%0.373SS..EExtended strand (participates in β ladder)trans-81.4133.2168.6172.7-115.4000111.2W139 Q140 N481W139-F479 HydrophobicContact CB-CE2 3.79Å; W139-F479 HydrophobicContact CB-CZ 4.42Å; W139-F479 AromaticContact CD1-CZ 3.88Å; W139-F479 HydrophobicContact CD2-CE2 4.25Å; W139-F479 HydrophobicContact CD2-CZ 4.18Å; W139-F479 AromaticContact CG-CE2 3.76Å; W139-F479 HydrophobicContact CG-CE2 3.76Å; W139-F479 AromaticContact CG-CZ 3.9Å; W139-F479 HydrophobicContact CG-CZ 3.9Å; Q140-F479 CarbonylContact O-C 3.59Å; Q140-F479 WeakPolarHBondContact O-CA 3.38Å; F479-N481 HydrophobicContact CE1-CB 3.86Å; F479-N481 HydrophobicContact CZ-CB 3.77Å
480V98.1Very high96.2Very high34 Ų3474.5 Ų74.521%0.20636%0.364CS..EExtended strand (participates in β ladder)trans-127.7115.1175.9-171.80000109Q140 R142 K478 I482Q140-V480 HydrophobicContact CB-CB 4.46Å; Q140-V480 PolarHBondContact N-O 3.13Å; Q140-V480 PolarHBondContact O-N 2.77Å; R142-V480 HydrophobicContact CG-CG2 4.48Å; K478-V480 HydrophobicContact CD-CG2 4.45Å; K478-V480 HydrophobicContact CG-CG2 4.14Å; V480-I482 HydrophobicContact CG1-CD1 4.3Å; V480-I482 HydrophobicContact CG1-CG1 3.8Å
481N98.1Very high96.1Very high83 Ų8379.1 Ų79.144%0.44439%0.386SS..EExtended strand (participates in β ladder)trans-96.2111.7171.1-1799.8000109.9N137 W139 F479N137-N481 PolarHBondContact ND2-OD1 3.28Å; W139-N481 PolarHBondContact NE1-OD1 2.98Å; W139-N481 VanDerWaalsContact NE1-OD1 3.14Å; F479-N481 HydrophobicContact CE1-CB 3.86Å; F479-N481 HydrophobicContact CZ-CB 3.77Å
482I97.9Very high96Very high59 Ų5984.3 Ų84.330%0.30341%0.412SS..EExtended strand (participates in β ladder)trans-104.4116.5179.8-54.1177.6000108N137 Q138 Q140 V480 T484N137-I482 CarbonylContact C-O 3.59Å; N137-I482 WeakPolarHBondContact CA-O 3.49Å; Q138-I482 HydrophobicContact CB-CB 4.39Å; Q138-I482 PolarHBondContact N-O 2.82Å; Q138-I482 PolarHBondContact O-N 2.7Å; Q140-I482 HydrophobicContact CG-CD1 4.49Å; V480-I482 HydrophobicContact CG1-CD1 4.3Å; V480-I482 HydrophobicContact CG1-CG1 3.8Å; I482-T484 HydrophobicContact CG2-CG2 4.33Å; I482-T484 PolarHBondContact O-N 2.83Å
483R97.4Very high96Very high174 Ų17485.5 Ų85.566%0.65742%0.418SS*.EExtended strand (participates in β ladder)trans-72119.8167.8-175.2179.2174.2138.7-3.5108.8T136 A485T136-R483 CarbonylContact O-C 3.37Å; T136-R483 WeakPolarHBondContact O-CA 3.43Å; R483-A485 WeakPolarHBondContact CG-O 3.3Å; R483-A485 PolarHBondContact NE-O 3.06Å
484T95.3Very high95.9Very high77 Ų7787.9 Ų87.947%0.47243%0.431SS..  trans-102.1-21.2-178.7540000112.2T136 N137 Q138 I482T136-T484 VanDerWaalsContact C-OG1 3.29Å; T136-T484 PolarHBondContact O-N 2.99Å; T136-T484 PolarHBondContact O-OG1 3.21Å; N137-T484 PolarHBondContact N-OG1 2.74Å; Q138-T484 HydrophobicContact CB-CG2 3.9Å; I482-T484 HydrophobicContact CG2-CG2 4.33Å; I482-T484 PolarHBondContact O-N 2.83Å
485A88.3Confident95.7Very high36 Ų3694.9 Ų94.930%0.29847%0.466SS..  trans-75.8126.8168.700000110.6T136 R483T136-A485 HydrophobicContact CG2-CB 3.76Å; T136-A485 PolarHBondContact O-N 2.99Å; T136-A485 VanDerWaalsContact O-N 3.13Å; R483-A485 WeakPolarHBondContact CG-O 3.3Å; R483-A485 PolarHBondContact NE-O 3.06Å
486K84Confident95.4Very high268 Ų268102.4 Ų102.4100%1.16550%0.501SS*.  trans-570178-74.3-172.9177-178.70113.5

Retrieved 486 of 486 residues in 301.7 ms (Link to these results)

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