A0A096NYH4_PAPAN Loading...

Nucleoside diphosphate-linked moiety X motif 6

May contribute to the regulation of cell proliferation.

AlphaFold DB , UniProt , Accession A0A096NYH4, Species PAPAN (Papio anubis, Olive baboon), Gene NUDT6, Length 316 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M26.4Very low31.8Very low220 Ų220151.2 Ų151.2100%1.08473%0.731SS**  0100.20-155.2157.4102.100107.1L167M1-L167 HydrophobicContact CE-CD1 4.42Å; M1-L167 HydrophobicContact SD-CD1 4.28Å
2R25.7Very low31.5Very low237 Ų237146.7 Ų146.789%0.89474%0.737SS**  trans-83.2117.8-172-76.3179.6175.9-171.1-1.9109.4L4R2-L4 PolarHBondContact O-N 3.38Å
3L29.6Very low31.2Very low107 Ų107145.7 Ų145.756%0.5674%0.743SS**  trans-77.895.6164-88.1144.3000107.2L5L3-L5 PolarHBondContact O-N 2.92Å
4L29.1Very low31Very low159 Ų159147 Ų14783%0.83275%0.751SS**  trans-76.4101.6162.3-77.9159.5000106.3R2 S6R2-L4 PolarHBondContact O-N 3.38Å; L4-S6 PolarHBondContact O-N 2.63Å
5L36.6Very low30.7Very low71 Ų71142.8 Ų142.837%0.37275%0.747SS.*  trans-61.6126.6154.3-73.3160.8000105.6L3 W7L3-L5 PolarHBondContact O-N 2.92Å; L5-W7 PolarHBondContact O-N 3.4Å
6S36.2Very low30.5Very low72 Ų72149.1 Ų149.150%0.50376%0.758SS.*  trans-58.3107.9175.9-178.80000108.4L4 E242L4-S6 PolarHBondContact O-N 2.63Å; S6-E242 WeakPolarHBondContact CB-OE1 3.46Å; S6-E242 PolarHBondContact OG-OE1 2.86Å
7W37.2Very low30.3Very low228 Ų228148 Ų14886%0.86476%0.761SS**  trans-104.985.2167.1-82.462.4000106.2L5L5-W7 PolarHBondContact O-N 3.4Å
8A33.1Very low30Very low75 Ų75152.2 Ų152.262%0.6277%0.767SS**  trans-150.757.2175.700000112
9G30.3Very low29.8Very low68 Ų68149.6 Ų149.670%0.70177%0.765SS**  trans-110.9114.4162.900000109.7R11G9-R11 PolarHBondContact O-N 2.9Å
10W29.6Very low29.8Very low257 Ų257148.4 Ų148.497%0.97377%0.767SS**  trans-62.8122.4178.6-74.354.4000110.6
11R35.9Very low29.6Very low169 Ų169144.5 Ų144.564%0.63876%0.764SS**  trans-99.8105.7170.6-73.3-174.7177.5-115.9-3.9110.7G9 E179G9-R11 PolarHBondContact O-N 2.9Å; R11-E179 IonicContact CZ-OE1 2.88Å; R11-E179 IonicContact CZ-OE2 3.41Å; R11-E179 IonicContact NH1-OE2 3.52Å; R11-E179 IonicContact NH2-OE1 3.6Å; R11-E179 PolarHBondContact NH2-OE1 2.81Å; R11-E179 IonicContact NH2-OE2 3.96Å; R11-E179 PolarHBondContact NH2-OE2 2.62Å
12A28.6Very low29.7Very low97 Ų97140.5 Ų140.580%0.80275%0.754SS**  trans-74.9114.8159.200000108.6L14A12-L14 PolarHBondContact O-N 3.4Å
13V27.9Very low29.9Very low134 Ų134134.9 Ų134.981%0.81275%0.751SS**  trans-75.8104.2173176.10000108.3A15V13-A15 PolarHBondContact O-N 3.32Å
14L28Very low29.8Very low164 Ų164134.8 Ų134.886%0.85977%0.766SS**  trans-87.996.7163.4-80.7169.5000108.7A12 R16A12-L14 PolarHBondContact O-N 3.4Å; L14-R16 PolarHBondContact O-N 3.44Å
15A27Very low29.6Very low84 Ų84130.8 Ų130.869%0.69476%0.763SS**  trans-66.7110.5168.300000109.4V13 T17V13-A15 PolarHBondContact O-N 3.32Å; A15-T17 PolarHBondContact O-N 2.94Å
16R27.4Very low29Very low243 Ų243134 Ų13492%0.91779%0.79SS**  trans-80.1106.5164.8-78.1-173.7178.2-153.71108.5L14 Y18L14-R16 PolarHBondContact O-N 3.44Å; R16-Y18 PolarHBondContact O-N 3.03Å
17T26.6Very low28.6Very low131 Ų131142.8 Ų142.880%0.80481%0.812SS**  trans-69.9113.5169.248.30000109.7A15A15-T17 PolarHBondContact O-N 2.94Å
18Y25.5Very low27.9Very low223 Ų223135.7 Ų135.788%0.87581%0.81SS**PPolyproline II helixtrans-93.5119.8169.7-143.7-96.3000108.6R16R16-Y18 PolarHBondContact O-N 3.03Å
19S26.3Very low27.6Very low104 Ų104137 Ų13773%0.72782%0.821SS**PPolyproline II helixtrans-101.1130.2172.3-63.50000109.2
20P28.3Very low27.5Very low124 Ų124139.8 Ų139.881%0.80583%0.829SS**PPolyproline II helixtrans-90127.6172.331.1-24.5000111
21G27.2Very low27.3Very low68 Ų68131.1 Ų131.170%0.70182%0.819SS**PPolyproline II helixtrans-79.8169.5165.200000112.5
22P27.9Very low26.9Very low135 Ų135128.1 Ų128.188%0.87783%0.831SS**PPolyproline II helixtrans-80.9149-151.432.1-35000114.7
23S28.9Very low27Very low120 Ų120133.3 Ų133.384%0.83984%0.838SS**PPolyproline II helixtrans-74.7133.6175.843.10000112.5
24A28.9Very low26.9Very low105 Ų105129.8 Ų129.887%0.86883%0.829SS**PPolyproline II helixtrans-78.8132165.100000109.7
25G24.1Very low26.9Very low75 Ų75133.2 Ų133.277%0.77383%0.833SS**PPolyproline II helixtrans-83.4159-174.900000114.8
26C24.4Very low27Very low138 Ų138135.4 Ų135.493%0.93284%0.837SS**  trans-133.1134.5157.1-84.60000109
27R26.6Very low27.2Very low256 Ų256134.9 Ų134.997%0.96684%0.835SS**  trans-90.3155.9180-71.6-179.3178.7-161.3-0.7111.5
28G23.9Very low27.4Very low80 Ų80135.8 Ų135.883%0.82584%0.835SS**  trans111.8133.3160.200000112.3
29A27.1Very low27.9Very low103 Ų103130 Ų13085%0.85183%0.825SS**  cis-155.7162.29.500000109.7
30S28.3Very low28.4Very low126 Ų126129.6 Ų129.688%0.88182%0.82SS**  trans-63.8144.1178.148.80000114.8
31G25.3Very low29Very low74 Ų74131.2 Ų131.276%0.76383%0.827SS**  trans171.3117.3159.100000115.6
32A26.7Very low30.1Very low106 Ų106130.6 Ų130.688%0.87682%0.82SS**  trans71.7103.1157.900000119.7G34A32-G34 PolarHBondContact O-N 3.19Å
33Q30.3Very low31.2Very low206 Ų206128.9 Ų128.996%0.96381%0.807SS**  trans-64.2107.1158.4-78.3170.6-29.500110.1
34G26.3Very low32.9Very low60 Ų60124.4 Ų124.462%0.61978%0.776SS**  trans-104.7126162.400000109.4A32 V36A32-G34 PolarHBondContact O-N 3.19Å; G34-V36 PolarHBondContact O-N 3.27Å
35Y27.3Very low34.9Very low237 Ų237124.7 Ų124.793%0.92976%0.763SS**  trans-53.7107.4173.8-85.4-97.7000110.8R37Y35-R37 PolarHBondContact O-N 3.15Å
36V29.2Very low37.7Very low130 Ų130121.5 Ų121.579%0.78873%0.728SS**  trans-76.9104.7169.7-179.80000107.4G34 N38G34-V36 PolarHBondContact O-N 3.27Å; V36-N38 PolarHBondContact O-N 3.38Å
37R31.6Very low40.6Very low232 Ų232121.8 Ų121.888%0.87572%0.715SS**PPolyproline II helixtrans-62.7123.5162.8-81.1-177.2173.1-170.7-1.6107.5Y35Y35-R37 PolarHBondContact O-N 3.15Å
38N31.1Very low43.5Very low149 Ų149111 Ų11180%0.79769%0.685SS**PPolyproline II helixtrans-53.4128.6164-75.1-34.7000108.4V36V36-N38 PolarHBondContact O-N 3.38Å
39P35.9Very low46.8Very low102 Ų102111.7 Ų111.766%0.66267%0.666SS**PPolyproline II helixtrans-62.8145.8176.225-31000109.6
40P36.4Very low50Low96 Ų96111.5 Ų111.562%0.62365%0.65SS**PPolyproline II helixtrans-61.3142.1-179.225.2-32.7000110.8G42P40-G42 PolarHBondContact O-N 2.95Å
41V42.3Very low53Low158 Ų158107.7 Ų107.796%0.95862%0.62SS**THydrogen-bonded Turntrans-54.9119.9170.8176.30000108.7
42G50.4Low56Low54 Ų54112.4 Ų112.456%0.55762%0.615SS**THydrogen-bonded Turntrans115.71.4169.100000117.4P40P40-G42 PolarHBondContact O-N 2.95Å
43T51Low59Low99 Ų99114.2 Ų114.261%0.60760%0.603SS**  trans-102.8110.6172.254.60000110.8D45T43-D45 PolarHBondContact O-N 3.3Å
44C63.8Low61.9Low26 Ų26105.4 Ų105.418%0.17657%0.568CS.*  trans-83.8105.2172.4-169.60000109.2L46 L69C44-L46 PolarHBondContact O-N 2.87Å; C44-L46 WeakPolarHBondContact SG-CD2 3.39Å; C44-L69 HydrophobicContact CB-CD1 3.78Å; C44-L69 HydrophobicContact CB-CD2 4.09Å; C44-L69 WeakPolarHBondContact SG-CD2 3.39Å
45D71.2Confident65.2Low112 Ų112102.5 Ų102.560%0.59954%0.538SS*.  trans-83.599.3168.4-173.528.9000108.5T43 Q47T43-D45 PolarHBondContact O-N 3.3Å; D45-Q47 PolarHBondContact O-N 3.01Å; D45-Q47 PolarHBondContact OD2-NE2 2.98Å; D45-Q47 VanDerWaalsContact OD2-NE2 3.09Å
46L83.5Confident68.5Low7 Ų791.5 Ų91.54%0.03750%0.495CS..  trans-85.7100.5179.6-70.9174.1000109.4C44 V58 L60 L63 F74 L78 A81 W85C44-L46 PolarHBondContact O-N 2.87Å; C44-L46 WeakPolarHBondContact SG-CD2 3.39Å; L46-V58 HydrophobicContact CD2-CG1 4.25Å; L46-L60 HydrophobicContact CD2-CD2 4.21Å; L46-L63 HydrophobicContact CD2-CD1 3.46Å; L46-L63 VanDerWaalsContact CD2-CD1 3.46Å; L46-F74 HydrophobicContact CD1-CE2 4.16Å; L46-F74 HydrophobicContact CD2-CE2 4.32Å; L46-L78 HydrophobicContact CD1-CB 3.8Å; L46-L78 HydrophobicContact CD1-CD1 3.86Å; L46-L78 HydrophobicContact CD1-CG 4.44Å; L46-A81 HydrophobicContact CB-CB 4.18Å; L46-W85 HydrophobicContact CB-CH2 4.45Å; L46-W85 WeakPolarHBondContact O-CZ2 3.31Å
47Q83.6Confident71.7Confident144 Ų14486.1 Ų86.167%0.67346%0.464SS*.  trans-87143.1171.1-61.3-174.32.400110.4D45D45-Q47 PolarHBondContact O-N 3.01Å; D45-Q47 PolarHBondContact OD2-NE2 2.98Å; D45-Q47 VanDerWaalsContact OD2-NE2 3.09Å
48G88.4Confident74.8Confident31 Ų3175.1 Ų75.132%0.3242%0.422SS..  trans-136.1153.2178.900000112.3S57G48-S57 CarbonylContact C-O 3.44Å; G48-S57 VanDerWaalsContact CA-O 3.23Å; G48-S57 WeakPolarHBondContact CA-O 3.36Å
49E93.8Very high77.8Confident94 Ų9472.7 Ų72.744%0.43940%0.402SS..EExtended strand (participates in β ladder)trans-87127.6-179.4-60.5178.4144.700110I56 S57 R59 R62E49-I56 CarbonylContact O-C 3.52Å; E49-I56 WeakPolarHBondContact O-CA 3.24Å; E49-S57 PolarHBondContact N-O 3.09Å; E49-S57 PolarHBondContact O-N 3.3Å; E49-R59 IonicContact OE2-NE 2.97Å; E49-R62 VanDerWaalsContact CD-NH1 3.32Å; E49-R62 IonicContact OE1-CZ 3.53Å; E49-R62 IonicContact OE1-NH1 3.67Å; E49-R62 PolarHBondContact OE1-NH1 3.41Å; E49-R62 IonicContact OE2-NH1 3.39Å; E49-R62 PolarHBondContact OE2-NH1 2.89Å
50L94Very high80.4Confident99 Ų9967.9 Ų67.952%0.51837%0.37SS..EExtended strand (participates in β ladder)trans-76.6128.3177.7-176.367.6000110.9G55 I56L50-G55 WeakPolarHBondContact CA-O 3.21Å; L50-I56 HydrophobicContact CB-CD1 4.19Å; L50-I56 HydrophobicContact CD1-CD1 3.69Å
51D91Very high82.8Confident46 Ų4667 Ų6725%0.24637%0.371CS..PPolyproline II helixtrans-90.2167.9170.374.741.7000112.4F53 G54 G55D51-F53 PolarHBondContact O-N 2.88Å; D51-F53 VanDerWaalsContact O-N 3.11Å; D51-F53 VanDerWaalsContact OD1-C 3.31Å; D51-F53 VanDerWaalsContact OD1-CA 3.29Å; D51-F53 WeakPolarHBondContact OD1-CA 3.37Å; D51-F53 WeakPolarHBondContact OD1-CB 3.37Å; D51-F53 PolarHBondContact OD1-N 2.68Å; D51-G54 PolarHBondContact O-N 3.28Å; D51-G54 PolarHBondContact OD1-N 2.84Å; D51-G54 VanDerWaalsContact OD1-N 3.1Å; D51-G55 PolarHBondContact N-O 3.25Å; D51-G55 PolarHBondContact OD1-N 2.96Å; D51-G55 VanDerWaalsContact OD2-CA 3.23Å; D51-G55 WeakPolarHBondContact OD2-CA 3.39Å
52R88.8Confident84.7Confident172 Ų17267 Ų6765%0.64935%0.354SS*.THydrogen-bonded Turntrans-65.1-12.8-177.771.5-178-177.7-163-1.5114.9
53F89.7Confident86.1Confident144 Ų14466.4 Ų66.463%0.63234%0.338SS*.THydrogen-bonded Turntrans-10710.2-178.7-57-66.1000112.3D51 G55 T91D51-F53 PolarHBondContact O-N 2.88Å; D51-F53 VanDerWaalsContact O-N 3.11Å; D51-F53 VanDerWaalsContact OD1-C 3.31Å; D51-F53 VanDerWaalsContact OD1-CA 3.29Å; D51-F53 WeakPolarHBondContact OD1-CA 3.37Å; D51-F53 WeakPolarHBondContact OD1-CB 3.37Å; D51-F53 PolarHBondContact OD1-N 2.68Å; F53-G55 VanDerWaalsContact C-N 3.35Å; F53-T91 PolarHBondContact O-OG1 3.5Å
54G91.6Very high86.9Confident21 Ų2169.5 Ų69.522%0.21635%0.351CS..SBendtrans81.611178.700000114.4D51 R90 T91D51-G54 PolarHBondContact O-N 3.28Å; D51-G54 PolarHBondContact OD1-N 2.84Å; D51-G54 VanDerWaalsContact OD1-N 3.1Å; G54-R90 WeakPolarHBondContact O-CA 3.47Å; G54-T91 PolarHBondContact O-N 3.44Å; G54-T91 PolarHBondContact O-OG1 3.27Å
55G94.9Very high87.1Confident0 Ų071.1 Ų71.10%037%0.366CS..EExtended strand (participates in β ladder)trans-83.6155.6172.300000112.2L50 D51 F53 T91 A92L50-G55 WeakPolarHBondContact CA-O 3.21Å; D51-G55 PolarHBondContact N-O 3.25Å; D51-G55 PolarHBondContact OD1-N 2.96Å; D51-G55 VanDerWaalsContact OD2-CA 3.23Å; D51-G55 WeakPolarHBondContact OD2-CA 3.39Å; F53-G55 VanDerWaalsContact C-N 3.35Å; G55-T91 PolarHBondContact N-OG1 2.86Å; G55-A92 CarbonylContact C-O 3.55Å; G55-A92 VanDerWaalsContact CA-O 3.31Å; G55-A92 WeakPolarHBondContact CA-O 3.43Å
56I96.9Very high87Confident5 Ų566.6 Ų66.63%0.02634%0.342CS..EExtended strand (participates in β ladder)trans-115.2127.7-179.8-62.1-65.3000109.8E49 L50 V58 W85 R90 A92 V93 W94E49-I56 CarbonylContact O-C 3.52Å; E49-I56 WeakPolarHBondContact O-CA 3.24Å; L50-I56 HydrophobicContact CB-CD1 4.19Å; L50-I56 HydrophobicContact CD1-CD1 3.69Å; I56-V58 HydrophobicContact CG2-CG2 4.24Å; I56-W85 HydrophobicContact CB-CD2 4.46Å; I56-W85 HydrophobicContact CG1-CD2 4.34Å; I56-W85 HydrophobicContact CG1-CG 4.15Å; I56-W85 HydrophobicContact CG2-CD2 4.23Å; I56-W85 HydrophobicContact CG2-CH2 4.31Å; I56-W85 HydrophobicContact CG2-CZ2 3.84Å; I56-R90 HydrophobicContact CD1-CG 4.2Å; I56-R90 HydrophobicContact CG1-CB 4.18Å; I56-R90 HydrophobicContact CG1-CG 3.78Å; I56-A92 PolarHBondContact N-O 2.8Å; I56-V93 CarbonylContact O-C 3.56Å; I56-V93 WeakPolarHBondContact O-CA 3.2Å; I56-W94 PolarHBondContact O-N 2.77Å
57S96.6Very high86.3Confident18 Ų1872.6 Ų72.613%0.12637%0.374CS..EExtended strand (participates in β ladder)trans-106115.6176.7-63.40000111.8G48 E49G48-S57 CarbonylContact C-O 3.44Å; G48-S57 VanDerWaalsContact CA-O 3.23Å; G48-S57 WeakPolarHBondContact CA-O 3.36Å; E49-S57 PolarHBondContact N-O 3.09Å; E49-S57 PolarHBondContact O-N 3.3Å
58V95.3Very high85.8Confident1 Ų176.5 Ų76.51%0.00638%0.382CS..EExtended strand (participates in β ladder)trans-104120.2176.4-175.70000108.7L46 I56 L60 W85 V93 W94 L95 H96L46-V58 HydrophobicContact CD2-CG1 4.25Å; I56-V58 HydrophobicContact CG2-CG2 4.24Å; V58-L60 HydrophobicContact CG1-CD2 4.06Å; V58-W85 HydrophobicContact CG2-CH2 3.49Å; V58-W85 VanDerWaalsContact CG2-CH2 3.49Å; V58-W85 HydrophobicContact CG2-CZ2 4.09Å; V58-W85 HydrophobicContact CG2-CZ3 4.24Å; V58-V93 HydrophobicContact CG2-CG1 4.35Å; V58-W94 PolarHBondContact N-O 2.65Å; V58-L95 HydrophobicContact CB-CD1 3.88Å; V58-L95 HydrophobicContact CG1-CD1 3.87Å; V58-H96 PolarHBondContact O-N 3.38Å
59R93.9Very high85.5Confident98 Ų9876.2 Ų76.237%0.3737%0.373SS..EExtended strand (participates in β ladder)trans-111.3102.7179.7-64.3178-172.5-79.1-3109.7E49 A61 R62 H96E49-R59 IonicContact OE2-NE 2.97Å; R59-A61 PolarHBondContact O-N 3.29Å; R59-R62 HydrophobicContact CB-CG 4.26Å; R59-R62 PolarHBondContact O-N 3.14Å; R59-H96 HydrophobicContact CG-CB 4.33Å
60L91.5Very high85.2Confident0 Ų076.1 Ų76.10%038%0.376CS..G310 helixtrans-61.9-33.5-175.7-62.6-167.4000112.2L46 V58 R62 L63 L66 F74 L95 H96 I97 F104L46-L60 HydrophobicContact CD2-CD2 4.21Å; V58-L60 HydrophobicContact CG1-CD2 4.06Å; L60-R62 PolarHBondContact O-N 2.89Å; L60-L63 HydrophobicContact CD2-CD1 3.56Å; L60-L63 WeakPolarHBondContact O-CB 3.28Å; L60-L63 PolarHBondContact O-N 3.14Å; L60-L66 HydrophobicContact CB-CD1 4.23Å; L60-L66 HydrophobicContact CB-CD2 4.06Å; L60-L66 WeakPolarHBondContact O-CD1 3.3Å; L60-F74 HydrophobicContact CD1-CE2 4.05Å; L60-F74 HydrophobicContact CD1-CZ 4.29Å; L60-F74 HydrophobicContact CD2-CE2 3.89Å; L60-L95 HydrophobicContact CD1-CD1 4.49Å; L60-L95 HydrophobicContact CD2-CD1 3.93Å; L60-L95 HydrophobicContact CG-CD1 4.08Å; L60-H96 WeakPolarHBondContact CB-O 3.44Å; L60-H96 WeakPolarHBondContact CG-O 3.44Å; L60-H96 PolarHBondContact N-O 3.34Å; L60-I97 HydrophobicContact CD1-CB 4.27Å; L60-I97 HydrophobicContact CD1-CD1 4.38Å; L60-I97 HydrophobicContact CD1-CG1 3.77Å; L60-I97 HydrophobicContact CD1-CG2 4.13Å; L60-I97 HydrophobicContact CG-CG1 4.37Å; L60-F104 HydrophobicContact CD1-CB 4.29Å; L60-F104 HydrophobicContact CD1-CD2 3.82Å; L60-F104 HydrophobicContact CD1-CG 4.42Å
61A86.3Confident85.1Confident78 Ų7873.2 Ų73.265%0.64537%0.366SS*.G310 helixtrans-54.3-19.4176.200000114.8R59 P98R59-A61 PolarHBondContact O-N 3.29Å; A61-P98 HydrophobicContact CB-CG 3.87Å
62R83.6Confident85.1Confident158 Ų15874.2 Ų74.260%0.59638%0.381SS*.G310 helixtrans-97.5-2.5179.6-61.2-174.7-179.51731.4113.8E49 R59 L60E49-R62 VanDerWaalsContact CD-NH1 3.32Å; E49-R62 IonicContact OE1-CZ 3.53Å; E49-R62 IonicContact OE1-NH1 3.67Å; E49-R62 PolarHBondContact OE1-NH1 3.41Å; E49-R62 IonicContact OE2-NH1 3.39Å; E49-R62 PolarHBondContact OE2-NH1 2.89Å; R59-R62 HydrophobicContact CB-CG 4.26Å; R59-R62 PolarHBondContact O-N 3.14Å; L60-R62 PolarHBondContact O-N 2.89Å
63L79.6Confident85.2Confident42 Ų4267 Ų6722%0.2236%0.358CS..SBendtrans-86.1122.7177.4-62.5176.3000109.2L46 L60 L66L46-L63 HydrophobicContact CD2-CD1 3.46Å; L46-L63 VanDerWaalsContact CD2-CD1 3.46Å; L60-L63 HydrophobicContact CD2-CD1 3.56Å; L60-L63 WeakPolarHBondContact O-CB 3.28Å; L60-L63 PolarHBondContact O-N 3.14Å; L63-L66 HydrophobicContact CB-CD2 4.06Å; L63-L66 HydrophobicContact CB-CG 4.08Å; L63-L66 HydrophobicContact CD1-CD2 4.22Å
64D66.6Low85.4Confident164 Ų16460.1 Ų60.188%0.87733%0.328SS*.THydrogen-bonded Turntrans-63.7144170.8-68.6-39.3000110L66D64-L66 PolarHBondContact O-N 3.31Å
65A67.8Low85.6Confident60 Ų6062.4 Ų62.450%0.49633%0.333SS..THydrogen-bonded Turntrans63.927.2174.200000117.1D67 R68 L69A65-D67 PolarHBondContact O-N 3.15Å; A65-D67 VanDerWaalsContact O-N 3.1Å; A65-R68 HydrophobicContact CB-CB 4.47Å; A65-R68 PolarHBondContact O-N 2.88Å; A65-L69 PolarHBondContact O-N 3.18Å
66L69.7Low85.5Confident16 Ų1670.1 Ų70.18%0.08437%0.366CS..G310 helixtrans-48.1-36.5170.2-78.5170.2000113.9L60 L63 D64 R68 L69 Q101 R103 F104L60-L66 HydrophobicContact CB-CD1 4.23Å; L60-L66 HydrophobicContact CB-CD2 4.06Å; L60-L66 WeakPolarHBondContact O-CD1 3.3Å; L63-L66 HydrophobicContact CB-CD2 4.06Å; L63-L66 HydrophobicContact CB-CG 4.08Å; L63-L66 HydrophobicContact CD1-CD2 4.22Å; D64-L66 PolarHBondContact O-N 3.31Å; L66-R68 PolarHBondContact O-N 3.19Å; L66-L69 WeakPolarHBondContact O-CB 3.35Å; L66-L69 PolarHBondContact O-N 3.35Å; L66-L69 VanDerWaalsContact O-N 3.07Å; L66-Q101 HydrophobicContact CD1-CG 4.08Å; L66-R103 PolarHBondContact O-NH2 3.45Å; L66-F104 HydrophobicContact CD2-CE2 4.03Å
67D68.8Low85.4Confident133 Ų13370.4 Ų70.471%0.71137%0.371SS*.G310 helixtrans-67.8-19.3-178.7-61.1-28.3000113A65 Q101A65-D67 PolarHBondContact O-N 3.15Å; A65-D67 VanDerWaalsContact O-N 3.1Å; D67-Q101 PolarHBondContact OD1-NE2 3.22Å
68R72.9Confident85.3Confident226 Ų22669.6 Ų69.685%0.85337%0.365SS*.G310 helixtrans-94.6-9175.1-59-176.8-177.31720.6112.7A65 L66A65-R68 HydrophobicContact CB-CB 4.47Å; A65-R68 PolarHBondContact O-N 2.88Å; L66-R68 PolarHBondContact O-N 3.19Å
69L82.9Confident85.4Confident25 Ų2573.8 Ų73.813%0.13138%0.384CS..  trans-86.6115.4178.4-171.867.9000109.5C44 A65 L66 A73 F74 F104C44-L69 HydrophobicContact CB-CD1 3.78Å; C44-L69 HydrophobicContact CB-CD2 4.09Å; C44-L69 WeakPolarHBondContact SG-CD2 3.39Å; A65-L69 PolarHBondContact O-N 3.18Å; L66-L69 WeakPolarHBondContact O-CB 3.35Å; L66-L69 PolarHBondContact O-N 3.35Å; L66-L69 VanDerWaalsContact O-N 3.07Å; L69-A73 HydrophobicContact CD1-CB 3.77Å; L69-F74 HydrophobicContact CD2-CB 3.83Å; L69-F74 HydrophobicContact CD2-CD2 3.8Å; L69-F74 HydrophobicContact CD2-CG 4.31Å; L69-F74 HydrophobicContact CG-CB 4.09Å; L69-F104 HydrophobicContact CB-CZ 4.15Å; L69-F104 HydrophobicContact CD2-CE1 4.48Å; L69-F104 HydrophobicContact CD2-CZ 4.27Å; L69-F104 HydrophobicContact CG-CE1 4.42Å; L69-F104 HydrophobicContact CG-CZ 4.31Å; L69-F104 WeakPolarHBondContact O-CE1 3.35Å; L69-F104 VanDerWaalsContact O-CZ 3.24Å; L69-F104 WeakPolarHBondContact O-CZ 3.45Å
70D87.8Confident85.5Confident93 Ų9371.6 Ų71.650%0.49739%0.388SS..  trans-78163.4172.574.449.6000111.7A72 A73 F74D70-A72 VanDerWaalsContact C-N 3.29Å; D70-A72 PolarHBondContact O-N 3.38Å; D70-A72 WeakPolarHBondContact OD1-CA 3.21Å; D70-A72 PolarHBondContact OD1-N 3.36Å; D70-A73 WeakPolarHBondContact OD1-CB 3.44Å; D70-A73 PolarHBondContact OD1-N 2.85Å; D70-F74 WeakPolarHBondContact O-CB 3.38Å; D70-F74 PolarHBondContact O-N 3.36Å
71A90.7Very high85.7Confident37 Ų3772 Ų7231%0.30639%0.391SS..Hα-helixtrans-64-31.8-175.900000113.4Q75 P107A71-Q75 WeakPolarHBondContact O-CB 3.02Å; A71-Q75 PolarHBondContact O-N 3.38Å; A71-P107 HydrophobicContact CB-CG 3.84Å
72A91.8Very high86.2Confident68 Ų6868.8 Ų68.856%0.56236%0.363SS*.Hα-helixtrans-77-43.1-177.900000111.3D70 F74 Q75 K76D70-A72 VanDerWaalsContact C-N 3.29Å; D70-A72 PolarHBondContact O-N 3.38Å; D70-A72 WeakPolarHBondContact OD1-CA 3.21Å; D70-A72 PolarHBondContact OD1-N 3.36Å; A72-F74 VanDerWaalsContact C-N 3.32Å; A72-Q75 PolarHBondContact O-N 2.84Å; A72-K76 WeakPolarHBondContact O-CB 3.49Å; A72-K76 PolarHBondContact O-N 3.46Å
73A91.1Very high86.8Confident19 Ų1966.9 Ų66.916%0.15736%0.361CS..Hα-helixtrans-61.2-42.7172.100000110.8L69 D70 K76 G77L69-A73 HydrophobicContact CD1-CB 3.77Å; D70-A73 WeakPolarHBondContact OD1-CB 3.44Å; D70-A73 PolarHBondContact OD1-N 2.85Å; A73-K76 PolarHBondContact O-N 3.04Å; A73-G77 PolarHBondContact O-N 3.28Å
74F93.3Very high87.5Confident0 Ų069.7 Ų69.70%037%0.373CS..Hα-helixtrans-59.6-49.1172.6176.1-97.7000111.9L46 L60 L69 D70 A72 K76 G77 L78 L95 F104 P107 A108L46-F74 HydrophobicContact CD1-CE2 4.16Å; L46-F74 HydrophobicContact CD2-CE2 4.32Å; L60-F74 HydrophobicContact CD1-CE2 4.05Å; L60-F74 HydrophobicContact CD1-CZ 4.29Å; L60-F74 HydrophobicContact CD2-CE2 3.89Å; L69-F74 HydrophobicContact CD2-CB 3.83Å; L69-F74 HydrophobicContact CD2-CD2 3.8Å; L69-F74 HydrophobicContact CD2-CG 4.31Å; L69-F74 HydrophobicContact CG-CB 4.09Å; D70-F74 WeakPolarHBondContact O-CB 3.38Å; D70-F74 PolarHBondContact O-N 3.36Å; A72-F74 VanDerWaalsContact C-N 3.32Å; F74-K76 VanDerWaalsContact C-N 3.33Å; F74-K76 PolarHBondContact O-N 2.59Å; F74-G77 PolarHBondContact O-N 3.13Å; F74-L78 HydrophobicContact CE1-CB 4.4Å; F74-L78 HydrophobicContact CE1-CD2 3.7Å; F74-L78 HydrophobicContact CZ-CB 4.41Å; F74-L78 HydrophobicContact CZ-CD2 3.81Å; F74-L78 WeakPolarHBondContact O-CB 3.28Å; F74-L78 PolarHBondContact O-N 2.89Å; F74-L95 HydrophobicContact CZ-CD1 4.46Å; F74-L95 HydrophobicContact CZ-CD2 4.07Å; F74-F104 HydrophobicContact CB-CD1 3.58Å; F74-F104 HydrophobicContact CB-CE1 3.66Å; F74-F104 HydrophobicContact CB-CG 4.48Å; F74-F104 HydrophobicContact CD1-CB 3.8Å; F74-F104 AromaticContact CD1-CD1 3.7Å; F74-F104 HydrophobicContact CD1-CD1 3.7Å; F74-F104 AromaticContact CD1-CG 3.99Å; F74-F104 HydrophobicContact CD1-CG 3.99Å; F74-F104 HydrophobicContact CD2-CD1 4.07Å; F74-F104 HydrophobicContact CD2-CE1 4.44Å; F74-F104 HydrophobicContact CD2-CG 4.18Å; F74-F104 HydrophobicContact CE1-CB 3.68Å; F74-F104 HydrophobicContact CE1-CD1 4.44Å; F74-F104 HydrophobicContact CE1-CG 4.28Å; F74-F104 HydrophobicContact CE2-CB 4.44Å; F74-F104 HydrophobicContact CE2-CG 4.46Å; F74-F104 HydrophobicContact CG-CB 4.24Å; F74-F104 AromaticContact CG-CD1 3.48Å; F74-F104 HydrophobicContact CG-CD1 3.48Å; F74-F104 VanDerWaalsContact CG-CD1 3.48Å; F74-F104 AromaticContact CG-CE1 3.99Å; F74-F104 HydrophobicContact CG-CE1 3.99Å; F74-F104 AromaticContact CG-CG 3.93Å; F74-F104 HydrophobicContact CG-CG 3.93Å; F74-F104 HydrophobicContact CZ-CB 4.02Å; F74-P107 HydrophobicContact CD1-CB 3.89Å; F74-P107 HydrophobicContact CE1-CB 4.31Å; F74-A108 HydrophobicContact CE1-CB 4.46Å
75Q95.1Very high89Confident70 Ų7062.5 Ų62.533%0.32733%0.334SS..Hα-helixtrans-57.4-47.2179.3-166179.1-23.500111.6A71 A72 L78 Q79 P107 S110 L111A71-Q75 WeakPolarHBondContact O-CB 3.02Å; A71-Q75 PolarHBondContact O-N 3.38Å; A72-Q75 PolarHBondContact O-N 2.84Å; Q75-L78 PolarHBondContact O-N 3.06Å; Q75-Q79 WeakPolarHBondContact O-CB 3.35Å; Q75-Q79 PolarHBondContact O-N 3.39Å; Q75-P107 HydrophobicContact CB-CB 3.96Å; Q75-P107 HydrophobicContact CG-CB 4.21Å; Q75-S110 PolarHBondContact NE2-OG 3.06Å; Q75-S110 VanDerWaalsContact NE2-OG 3.17Å; Q75-L111 HydrophobicContact CG-CD1 4.21Å; Q75-L111 HydrophobicContact CG-CD2 4.46Å; Q75-L111 HydrophobicContact CG-CG 4.31Å
76K94.5Very high90.3Very high161 Ų16166.3 Ų66.370%0.734%0.335SS*.Hα-helixtrans-63.3-43.3179.7-172.8179.6178.7-177.20111.6A72 A73 F74 Q79 A80A72-K76 WeakPolarHBondContact O-CB 3.49Å; A72-K76 PolarHBondContact O-N 3.46Å; A73-K76 PolarHBondContact O-N 3.04Å; F74-K76 VanDerWaalsContact C-N 3.33Å; F74-K76 PolarHBondContact O-N 2.59Å; K76-Q79 PolarHBondContact O-N 3.22Å; K76-A80 PolarHBondContact O-N 3.48Å; K76-A80 VanDerWaalsContact O-N 3.08Å
77G93.6Very high91.5Very high12 Ų1270.3 Ų70.312%0.12436%0.364CS..Hα-helixtrans-62.3-46.8175.400000112.3A73 F74 Q79 A80 A81A73-G77 PolarHBondContact O-N 3.28Å; F74-G77 PolarHBondContact O-N 3.13Å; G77-Q79 PolarHBondContact O-N 2.99Å; G77-A80 PolarHBondContact O-N 3.24Å; G77-A81 WeakPolarHBondContact O-CB 3.28Å; G77-A81 PolarHBondContact O-N 3.3Å
78L95.7Very high92.7Very high0 Ų067.6 Ų67.60%035%0.347CS..Hα-helixtrans-62.8-40.3177.6-17659.7000112.2L46 F74 Q75 A81 V82 L95 A108 L111 F113L46-L78 HydrophobicContact CD1-CB 3.8Å; L46-L78 HydrophobicContact CD1-CD1 3.86Å; L46-L78 HydrophobicContact CD1-CG 4.44Å; F74-L78 HydrophobicContact CE1-CB 4.4Å; F74-L78 HydrophobicContact CE1-CD2 3.7Å; F74-L78 HydrophobicContact CZ-CB 4.41Å; F74-L78 HydrophobicContact CZ-CD2 3.81Å; F74-L78 WeakPolarHBondContact O-CB 3.28Å; F74-L78 PolarHBondContact O-N 2.89Å; Q75-L78 PolarHBondContact O-N 3.06Å; L78-A81 PolarHBondContact O-N 3.49Å; L78-V82 HydrophobicContact CD1-CG2 4.23Å; L78-V82 HydrophobicContact CG-CG2 4.49Å; L78-V82 WeakPolarHBondContact O-CB 3.26Å; L78-V82 VanDerWaalsContact O-CG2 3.23Å; L78-V82 WeakPolarHBondContact O-CG2 3.42Å; L78-V82 PolarHBondContact O-N 3Å; L78-L95 HydrophobicContact CD2-CD2 4.05Å; L78-A108 HydrophobicContact CD2-CB 3.8Å; L78-L111 HydrophobicContact CB-CD1 3.87Å; L78-L111 HydrophobicContact CD2-CD1 3.89Å; L78-L111 HydrophobicContact CG-CD1 3.73Å; L78-F113 HydrophobicContact CD1-CE2 4.08Å; L78-F113 HydrophobicContact CD1-CZ 3.94Å; L78-F113 HydrophobicContact CD2-CD2 4.3Å; L78-F113 HydrophobicContact CD2-CE2 3.83Å; L78-F113 HydrophobicContact CD2-CZ 4.31Å; L78-F113 HydrophobicContact CG-CE2 4.05Å; L78-F113 HydrophobicContact CG-CZ 4.41Å
79Q96.8Very high93.8Very high89 Ų8959.7 Ų59.742%0.41634%0.336SS..Hα-helixtrans-62-46.3175.7-175.4178.21100111.8Q75 K76 G77 V82 Q83 L111Q75-Q79 WeakPolarHBondContact O-CB 3.35Å; Q75-Q79 PolarHBondContact O-N 3.39Å; K76-Q79 PolarHBondContact O-N 3.22Å; G77-Q79 PolarHBondContact O-N 2.99Å; Q79-V82 PolarHBondContact O-N 3.38Å; Q79-Q83 WeakPolarHBondContact O-CG 3.43Å; Q79-Q83 PolarHBondContact O-N 3.22Å; Q79-L111 HydrophobicContact CB-CD1 4.05Å; Q79-L111 HydrophobicContact CB-CD2 4Å; Q79-L111 HydrophobicContact CG-CD2 4.15Å
80A95.6Very high94.4Very high53 Ų5361.7 Ų61.744%0.43834%0.342SS..Hα-helixtrans-62.8-45.5177.900000111.5K76 G77 V82 Q83 Q84K76-A80 PolarHBondContact O-N 3.48Å; K76-A80 VanDerWaalsContact O-N 3.08Å; G77-A80 PolarHBondContact O-N 3.24Å; A80-V82 PolarHBondContact O-N 3Å; A80-Q83 PolarHBondContact O-N 2.97Å; A80-Q84 PolarHBondContact O-N 2.81Å
81A95.8Very high94.7Very high8 Ų859.3 Ų59.37%0.06633%0.33CS..Hα-helixtrans-61.9-43.217800000112.1L46 G77 L78 Q83 Q84 W85L46-A81 HydrophobicContact CB-CB 4.18Å; G77-A81 WeakPolarHBondContact O-CB 3.28Å; G77-A81 PolarHBondContact O-N 3.3Å; L78-A81 PolarHBondContact O-N 3.49Å; A81-Q83 VanDerWaalsContact C-N 3.35Å; A81-Q83 PolarHBondContact O-N 2.93Å; A81-Q84 WeakPolarHBondContact O-CB 3.48Å; A81-Q84 PolarHBondContact O-N 2.64Å; A81-W85 HydrophobicContact CB-CD2 4.47Å; A81-W85 HydrophobicContact CB-CE3 4.24Å; A81-W85 HydrophobicContact CB-CH2 3.55Å; A81-W85 HydrophobicContact CB-CZ2 3.83Å; A81-W85 HydrophobicContact CB-CZ3 3.78Å; A81-W85 VanDerWaalsContact O-CG 3.27Å; A81-W85 PolarHBondContact O-N 3.41Å
82V96.7Very high95.1Very high11 Ų1157.6 Ų57.67%0.06732%0.316CS..Hα-helixtrans-61.6-40.8175.31670000112L78 Q79 A80 W85 R86 V93 F113 L127 L129L78-V82 HydrophobicContact CD1-CG2 4.23Å; L78-V82 HydrophobicContact CG-CG2 4.49Å; L78-V82 WeakPolarHBondContact O-CB 3.26Å; L78-V82 VanDerWaalsContact O-CG2 3.23Å; L78-V82 WeakPolarHBondContact O-CG2 3.42Å; L78-V82 PolarHBondContact O-N 3Å; Q79-V82 PolarHBondContact O-N 3.38Å; A80-V82 PolarHBondContact O-N 3Å; V82-W85 HydrophobicContact CG2-CE3 4.22Å; V82-W85 HydrophobicContact CG2-CZ3 4.23Å; V82-W85 PolarHBondContact O-N 3.22Å; V82-R86 WeakPolarHBondContact O-CG 3.5Å; V82-R86 PolarHBondContact O-N 3.1Å; V82-V93 HydrophobicContact CG2-CG2 4.48Å; V82-F113 HydrophobicContact CG2-CE2 4Å; V82-F113 HydrophobicContact CG2-CZ 4.1Å; V82-L127 HydrophobicContact CG1-CD2 3.71Å; V82-L127 HydrophobicContact CG2-CD2 3.91Å; V82-L129 HydrophobicContact CG1-CD2 3.97Å
83Q95.7Very high95.4Very high118 Ų11854.3 Ų54.355%0.55129%0.289SS*.Hα-helixtrans-63.6-43.6175.9-74.7177.3-16.700111.6Q79 A80 A81 R86 S87Q79-Q83 WeakPolarHBondContact O-CG 3.43Å; Q79-Q83 PolarHBondContact O-N 3.22Å; A80-Q83 PolarHBondContact O-N 2.97Å; A81-Q83 VanDerWaalsContact C-N 3.35Å; A81-Q83 PolarHBondContact O-N 2.93Å; Q83-R86 PolarHBondContact O-N 3.07Å; Q83-S87 PolarHBondContact O-N 3.02Å; Q83-S87 VanDerWaalsContact O-N 3.11Å
84Q95.7Very high95.7Very high101 Ų10155.3 Ų55.347%0.47229%0.289SS..Hα-helixtrans-59.9-52.3175.1179.8-177.1-19.700111.1A80 A81 R86 S87 E88A80-Q84 PolarHBondContact O-N 2.81Å; A81-Q84 WeakPolarHBondContact O-CB 3.48Å; A81-Q84 PolarHBondContact O-N 2.64Å; Q84-R86 VanDerWaalsContact C-N 3.26Å; Q84-R86 PolarHBondContact O-N 2.58Å; Q84-S87 WeakPolarHBondContact O-CA 3.35Å; Q84-S87 WeakPolarHBondContact O-CB 3.48Å; Q84-S87 PolarHBondContact O-N 2.84Å; Q84-S87 PolarHBondContact O-OG 3.28Å; Q84-E88 WeakPolarHBondContact CG-OE1 3.4Å; Q84-E88 PolarHBondContact NE2-OE1 2.8Å; Q84-E88 WeakPolarHBondContact O-CG 3.46Å; Q84-E88 PolarHBondContact O-N 3.04Å
85W96.3Very high95.9Very high13 Ų1355.3 Ų55.35%0.04929%0.289CS..Hα-helixtrans-60.8-33.8179.9-65.1-33.5000113L46 I56 V58 A81 V82 E88 G89 R90 V93 L129L46-W85 HydrophobicContact CB-CH2 4.45Å; L46-W85 WeakPolarHBondContact O-CZ2 3.31Å; I56-W85 HydrophobicContact CB-CD2 4.46Å; I56-W85 HydrophobicContact CG1-CD2 4.34Å; I56-W85 HydrophobicContact CG1-CG 4.15Å; I56-W85 HydrophobicContact CG2-CD2 4.23Å; I56-W85 HydrophobicContact CG2-CH2 4.31Å; I56-W85 HydrophobicContact CG2-CZ2 3.84Å; V58-W85 HydrophobicContact CG2-CH2 3.49Å; V58-W85 VanDerWaalsContact CG2-CH2 3.49Å; V58-W85 HydrophobicContact CG2-CZ2 4.09Å; V58-W85 HydrophobicContact CG2-CZ3 4.24Å; A81-W85 HydrophobicContact CB-CD2 4.47Å; A81-W85 HydrophobicContact CB-CE3 4.24Å; A81-W85 HydrophobicContact CB-CH2 3.55Å; A81-W85 HydrophobicContact CB-CZ2 3.83Å; A81-W85 HydrophobicContact CB-CZ3 3.78Å; A81-W85 VanDerWaalsContact O-CG 3.27Å; A81-W85 PolarHBondContact O-N 3.41Å; V82-W85 HydrophobicContact CG2-CE3 4.22Å; V82-W85 HydrophobicContact CG2-CZ3 4.23Å; V82-W85 PolarHBondContact O-N 3.22Å; W85-E88 PolarHBondContact O-N 3.46Å; W85-G89 PolarHBondContact O-N 2.79Å; W85-R90 HydrophobicContact CB-CB 3.96Å; W85-R90 HydrophobicContact CB-CG 3.69Å; W85-R90 HydrophobicContact CG-CG 4.2Å; W85-R90 VanDerWaalsContact O-CB 3.28Å; W85-R90 WeakPolarHBondContact O-CB 3.48Å; W85-R90 WeakPolarHBondContact O-CG 3.29Å; W85-R90 PolarHBondContact O-N 3.26Å; W85-V93 HydrophobicContact CE3-CG1 4.07Å; W85-V93 HydrophobicContact CE3-CG2 3.6Å; W85-V93 HydrophobicContact CH2-CG1 4.44Å; W85-V93 HydrophobicContact CZ3-CG1 3.66Å; W85-V93 HydrophobicContact CZ3-CG2 4.03Å; W85-L129 HydrophobicContact CB-CD1 4.06Å
86R95.6Very high96Very high140 Ų14053.3 Ų53.353%0.52828%0.28SS..Hα-helixtrans-61.5-45.4170.2-77179.1175.8175.11.7112.1V82 Q83 Q84 E88 G89 L129V82-R86 WeakPolarHBondContact O-CG 3.5Å; V82-R86 PolarHBondContact O-N 3.1Å; Q83-R86 PolarHBondContact O-N 3.07Å; Q84-R86 VanDerWaalsContact C-N 3.26Å; Q84-R86 PolarHBondContact O-N 2.58Å; R86-E88 PolarHBondContact O-N 2.88Å; R86-G89 PolarHBondContact O-N 3.26Å; R86-L129 HydrophobicContact CG-CB 4.27Å; R86-L129 HydrophobicContact CG-CD1 4.2Å; R86-L129 HydrophobicContact CG-CD2 3.91Å; R86-L129 HydrophobicContact CG-CG 4.36Å
87S95.1Very high96Very high99 Ų9945.7 Ų45.769%0.69225%0.246SC*.Hα-helixtrans-65.4-29.1178.875.20000113.1Q83 Q84 G89Q83-S87 PolarHBondContact O-N 3.02Å; Q83-S87 VanDerWaalsContact O-N 3.11Å; Q84-S87 WeakPolarHBondContact O-CA 3.35Å; Q84-S87 WeakPolarHBondContact O-CB 3.48Å; Q84-S87 PolarHBondContact O-N 2.84Å; Q84-S87 PolarHBondContact O-OG 3.28Å; S87-G89 PolarHBondContact O-N 3.45Å
88E94.7Very high96.1Very high77 Ų7746.5 Ų46.536%0.3625%0.25SC..THydrogen-bonded Turntrans-78.9-0.5173.9-66.7177-16700113.4Q84 W85 R86 R90Q84-E88 WeakPolarHBondContact CG-OE1 3.4Å; Q84-E88 PolarHBondContact NE2-OE1 2.8Å; Q84-E88 WeakPolarHBondContact O-CG 3.46Å; Q84-E88 PolarHBondContact O-N 3.04Å; W85-E88 PolarHBondContact O-N 3.46Å; R86-E88 PolarHBondContact O-N 2.88Å; E88-R90 HydrophobicContact CB-CG 4.19Å; E88-R90 IonicContact OE2-CZ 3.33Å; E88-R90 IonicContact OE2-NE 3.7Å; E88-R90 PolarHBondContact OE2-NE 2.91Å; E88-R90 IonicContact OE2-NH2 3.63Å; E88-R90 PolarHBondContact OE2-NH2 3.31Å
89G94.5Very high96.1Very high59 Ų5951.2 Ų51.261%0.60827%0.274SS*.THydrogen-bonded Turntrans71.925.9-178.700000114.2W85 R86 S87W85-G89 PolarHBondContact O-N 2.79Å; R86-G89 PolarHBondContact O-N 3.26Å; S87-G89 PolarHBondContact O-N 3.45Å
90R95.8Very high95.9Very high68 Ų6854.1 Ų54.126%0.25729%0.291SS..  trans-68.3147.9174.1-53.1-53.9174.9-169.3-2.8110.8G54 I56 W85 E88 L129G54-R90 WeakPolarHBondContact O-CA 3.47Å; I56-R90 HydrophobicContact CD1-CG 4.2Å; I56-R90 HydrophobicContact CG1-CB 4.18Å; I56-R90 HydrophobicContact CG1-CG 3.78Å; W85-R90 HydrophobicContact CB-CB 3.96Å; W85-R90 HydrophobicContact CB-CG 3.69Å; W85-R90 HydrophobicContact CG-CG 4.2Å; W85-R90 VanDerWaalsContact O-CB 3.28Å; W85-R90 WeakPolarHBondContact O-CB 3.48Å; W85-R90 WeakPolarHBondContact O-CG 3.29Å; W85-R90 PolarHBondContact O-N 3.26Å; E88-R90 HydrophobicContact CB-CG 4.19Å; E88-R90 IonicContact OE2-CZ 3.33Å; E88-R90 IonicContact OE2-NE 3.7Å; E88-R90 PolarHBondContact OE2-NE 2.91Å; E88-R90 IonicContact OE2-NH2 3.63Å; E88-R90 PolarHBondContact OE2-NH2 3.31Å; R90-L129 HydrophobicContact CB-CD1 4.11Å; R90-L129 WeakPolarHBondContact O-CB 3.29Å
91T95.5Very high95.8Very high42 Ų4252.4 Ų52.426%0.25828%0.275SS..  trans-96-32.2-171.155.60000113F53 G54 G55 W128 L129 G130F53-T91 PolarHBondContact O-OG1 3.5Å; G54-T91 PolarHBondContact O-N 3.44Å; G54-T91 PolarHBondContact O-OG1 3.27Å; G55-T91 PolarHBondContact N-OG1 2.86Å; T91-W128 WeakPolarHBondContact O-CZ3 3.39Å; T91-L129 WeakPolarHBondContact O-CA 3.18Å; T91-L129 PolarHBondContact O-N 3.39Å; T91-G130 PolarHBondContact O-N 3.31Å
92A97.4Very high95.8Very high1 Ų154.4 Ų54.41%0.00829%0.288CS..EExtended strand (participates in β ladder)trans-154.3159.8-178.200000112.2G55 I56 L127 W128 L136G55-A92 CarbonylContact C-O 3.55Å; G55-A92 VanDerWaalsContact CA-O 3.31Å; G55-A92 WeakPolarHBondContact CA-O 3.43Å; I56-A92 PolarHBondContact N-O 2.8Å; A92-L127 CarbonylContact C-O 3.52Å; A92-L127 VanDerWaalsContact CA-O 3.3Å; A92-L127 WeakPolarHBondContact CA-O 3.32Å; A92-W128 HydrophobicContact CB-CE3 4.01Å; A92-W128 HydrophobicContact CB-CZ3 4.27Å; A92-L136 HydrophobicContact CB-CD1 4.12Å; A92-L136 HydrophobicContact CB-CD2 3.55Å; A92-L136 HydrophobicContact CB-CG 4.29Å
93V98.1Very high95.7Very high0 Ų058.7 Ų58.70%030%0.303CS..EExtended strand (participates in β ladder)trans-121.9130.4168.9-1690000108.9I56 V58 V82 W85 F113 T126 L127 L129I56-V93 CarbonylContact O-C 3.56Å; I56-V93 WeakPolarHBondContact O-CA 3.2Å; V58-V93 HydrophobicContact CG2-CG1 4.35Å; V82-V93 HydrophobicContact CG2-CG2 4.48Å; W85-V93 HydrophobicContact CE3-CG1 4.07Å; W85-V93 HydrophobicContact CE3-CG2 3.6Å; W85-V93 HydrophobicContact CH2-CG1 4.44Å; W85-V93 HydrophobicContact CZ3-CG1 3.66Å; W85-V93 HydrophobicContact CZ3-CG2 4.03Å; V93-F113 HydrophobicContact CB-CE1 3.84Å; V93-F113 HydrophobicContact CB-CZ 3.89Å; V93-F113 HydrophobicContact CG1-CE1 3.79Å; V93-F113 HydrophobicContact CG1-CZ 3.78Å; V93-F113 HydrophobicContact CG2-CZ 4.49Å; V93-T126 CarbonylContact O-C 3.56Å; V93-T126 VanDerWaalsContact O-CA 3.25Å; V93-T126 WeakPolarHBondContact O-CA 3.23Å; V93-L127 HydrophobicContact CB-CB 4.34Å; V93-L127 PolarHBondContact N-O 2.93Å; V93-L127 PolarHBondContact O-N 3.11Å; V93-L129 HydrophobicContact CG2-CD1 3.66Å; V93-L129 HydrophobicContact CG2-CD2 4.31Å; V93-L129 HydrophobicContact CG2-CG 4.08Å
94W97.8Very high95.7Very high39 Ų3953.1 Ų53.115%0.14828%0.277CS..EExtended strand (participates in β ladder)trans-107.6124.1170.4-53.586.9000108.1I56 V58 H116 T124 L125 T126 L136I56-W94 PolarHBondContact O-N 2.77Å; V58-W94 PolarHBondContact N-O 2.65Å; W94-H116 AromaticContact CH2-NE2 3.88Å; W94-H116 AromaticContact CZ3-CD2 3.53Å; W94-H116 AromaticContact CZ3-NE2 3.61Å; W94-T124 HydrophobicContact CE3-CG2 4.08Å; W94-L125 WeakPolarHBondContact CA-O 2.88Å; W94-T126 HydrophobicContact CD2-CG2 3.9Å; W94-T126 HydrophobicContact CE3-CG2 3.24Å; W94-T126 HydrophobicContact CH2-CG2 4.2Å; W94-T126 HydrophobicContact CZ3-CG2 3.42Å; W94-T126 VanDerWaalsContact CZ3-CG2 3.42Å; W94-L136 HydrophobicContact CH2-CB 4.37Å; W94-L136 HydrophobicContact CH2-CD2 4.04Å; W94-L136 HydrophobicContact CZ2-CD2 3.43Å; W94-L136 VanDerWaalsContact CZ2-CD2 3.43Å; W94-L136 HydrophobicContact CZ2-CG 4.4Å
95L97.6Very high95.8Very high0 Ų049.8 Ų49.80%026%0.262CS..EExtended strand (participates in β ladder)trans-119112.7-178.3-178.664.2000109.2V58 L60 F74 L78 I97 A108 F113 T124 L125V58-L95 HydrophobicContact CB-CD1 3.88Å; V58-L95 HydrophobicContact CG1-CD1 3.87Å; L60-L95 HydrophobicContact CD1-CD1 4.49Å; L60-L95 HydrophobicContact CD2-CD1 3.93Å; L60-L95 HydrophobicContact CG-CD1 4.08Å; F74-L95 HydrophobicContact CZ-CD1 4.46Å; F74-L95 HydrophobicContact CZ-CD2 4.07Å; L78-L95 HydrophobicContact CD2-CD2 4.05Å; L95-I97 HydrophobicContact CD2-CD1 3.79Å; L95-I97 HydrophobicContact CD2-CG1 4.19Å; L95-I97 HydrophobicContact CG-CD1 4.01Å; L95-I97 HydrophobicContact CG-CG1 3.83Å; L95-A108 HydrophobicContact CD2-CB 3.64Å; L95-F113 HydrophobicContact CB-CD1 4.15Å; L95-F113 HydrophobicContact CB-CE1 3.86Å; L95-F113 HydrophobicContact CD2-CD1 4.42Å; L95-F113 HydrophobicContact CD2-CE1 4.36Å; L95-T124 WeakPolarHBondContact O-CA 3.37Å; L95-L125 HydrophobicContact CB-CB 4.34Å; L95-L125 PolarHBondContact N-O 2.76Å; L95-L125 PolarHBondContact O-N 3.4Å
96H96.9Very high95.8Very high29 Ų2952.6 Ų52.613%0.13429%0.288CS..EExtended strand (participates in β ladder)trans-99.1115.8179-55.4-84.1000110.2V58 R59 L60 S123 T124V58-H96 PolarHBondContact O-N 3.38Å; R59-H96 HydrophobicContact CG-CB 4.33Å; L60-H96 WeakPolarHBondContact CB-O 3.44Å; L60-H96 WeakPolarHBondContact CG-O 3.44Å; L60-H96 PolarHBondContact N-O 3.34Å; H96-S123 CarbonylContact C-O 3.56Å; H96-S123 WeakPolarHBondContact CA-O 3.38Å; H96-T124 PolarHBondContact ND1-OG1 3.02Å
97I96.1Very high95.9Very high0 Ų046.4 Ų46.40%027%0.266CS..EExtended strand (participates in β ladder)trans-118.6114.7-173.5-52.2-176.8000109.1L60 L95 Q101 F104 I105 S123 L125L60-I97 HydrophobicContact CD1-CB 4.27Å; L60-I97 HydrophobicContact CD1-CD1 4.38Å; L60-I97 HydrophobicContact CD1-CG1 3.77Å; L60-I97 HydrophobicContact CD1-CG2 4.13Å; L60-I97 HydrophobicContact CG-CG1 4.37Å; L95-I97 HydrophobicContact CD2-CD1 3.79Å; L95-I97 HydrophobicContact CD2-CG1 4.19Å; L95-I97 HydrophobicContact CG-CD1 4.01Å; L95-I97 HydrophobicContact CG-CG1 3.83Å; I97-Q101 HydrophobicContact CG2-CB 4.07Å; I97-Q101 VanDerWaalsContact CG2-O 3.32Å; I97-Q101 WeakPolarHBondContact CG2-O 3.45Å; I97-F104 HydrophobicContact CD1-CB 4.36Å; I97-I105 HydrophobicContact CD1-CG1 3.81Å; I97-I105 HydrophobicContact CG2-CG1 4.3Å; I97-S123 PolarHBondContact N-O 2.95Å; I97-S123 PolarHBondContact O-N 3.02Å; I97-S123 PolarHBondContact O-OG 3.42Å; I97-L125 HydrophobicContact CD1-CD1 4.05Å; I97-L125 HydrophobicContact CG1-CD1 4.48Å
98P94.9Very high96.1Very high30 Ų3041.7 Ų41.720%0.19523%0.233CC..EExtended strand (participates in β ladder)trans-58.1149.4171-24.634.6000112A61 L100 Q101 S102 D121A61-P98 HydrophobicContact CB-CG 3.87Å; P98-L100 VanDerWaalsContact C-N 3.25Å; P98-L100 PolarHBondContact O-N 3.37Å; P98-Q101 HydrophobicContact CB-CB 4.43Å; P98-Q101 HydrophobicContact CB-CG 4.19Å; P98-Q101 HydrophobicContact CG-CG 4.36Å; P98-Q101 CarbonylContact O-C 3.5Å; P98-Q101 WeakPolarHBondContact O-CA 3.1Å; P98-Q101 WeakPolarHBondContact O-CB 3.31Å; P98-Q101 PolarHBondContact O-N 2.98Å; P98-S102 PolarHBondContact O-N 3Å; P98-D121 CarbonylContact C-O 3.38Å; P98-D121 WeakPolarHBondContact CA-O 3.45Å
99I95.6Very high96.2Very high99 Ų9940.4 Ų40.451%0.50824%0.236SC..G310 helixtrans-58.1-37.5-174.7-166.9169.9000112.3Q101 S102 D121I99-Q101 PolarHBondContact O-N 2.97Å; I99-S102 VanDerWaalsContact O-CB 3.32Å; I99-S102 WeakPolarHBondContact O-CB 3.08Å; I99-S102 PolarHBondContact O-N 3.45Å; I99-S102 PolarHBondContact O-OG 3.04Å; I99-D121 WeakPolarHBondContact CB-O 3.27Å; I99-D121 HydrophobicContact CG2-CB 3.89Å; I99-D121 PolarHBondContact N-O 2.86Å
100L93Very high96.4Very high149 Ų14941.2 Ų41.278%0.7823%0.232SC*.G310 helixtrans-71.6-13.2176.9-60.4-177.9000113.4P98 R103P98-L100 VanDerWaalsContact C-N 3.25Å; P98-L100 PolarHBondContact O-N 3.37Å; L100-R103 PolarHBondContact O-NH1 3.23Å
101Q93.4Very high96.5Very high18 Ų1839.8 Ų39.88%0.08423%0.229CC..G310 helixtrans-105.214.9178.1-54.9-65.2-24.200111.7L66 D67 I97 P98 I99 R103 F104L66-Q101 HydrophobicContact CD1-CG 4.08Å; D67-Q101 PolarHBondContact OD1-NE2 3.22Å; I97-Q101 HydrophobicContact CG2-CB 4.07Å; I97-Q101 VanDerWaalsContact CG2-O 3.32Å; I97-Q101 WeakPolarHBondContact CG2-O 3.45Å; P98-Q101 HydrophobicContact CB-CB 4.43Å; P98-Q101 HydrophobicContact CB-CG 4.19Å; P98-Q101 HydrophobicContact CG-CG 4.36Å; P98-Q101 CarbonylContact O-C 3.5Å; P98-Q101 WeakPolarHBondContact O-CA 3.1Å; P98-Q101 WeakPolarHBondContact O-CB 3.31Å; P98-Q101 PolarHBondContact O-N 2.98Å; I99-Q101 PolarHBondContact O-N 2.97Å; Q101-R103 PolarHBondContact O-N 2.65Å; Q101-F104 HydrophobicContact CB-CD2 4.01Å; Q101-F104 HydrophobicContact CB-CE2 4.23Å; Q101-F104 WeakPolarHBondContact O-CD2 3.32Å; Q101-F104 PolarHBondContact O-N 3.24Å
102S94.9Very high96.6Very high50 Ų5039.8 Ų39.835%0.3524%0.238SC..G310 helixtrans-55.9-18.7-178.7-67.50000114.8P98 I99 F104 I105P98-S102 PolarHBondContact O-N 3Å; I99-S102 VanDerWaalsContact O-CB 3.32Å; I99-S102 WeakPolarHBondContact O-CB 3.08Å; I99-S102 PolarHBondContact O-N 3.45Å; I99-S102 PolarHBondContact O-OG 3.04Å; S102-F104 PolarHBondContact O-N 3.2Å; S102-F104 VanDerWaalsContact O-N 3.08Å; S102-I105 VanDerWaalsContact O-CB 3.26Å; S102-I105 WeakPolarHBondContact O-CB 3.5Å; S102-I105 WeakPolarHBondContact O-CG1 3.12Å; S102-I105 PolarHBondContact O-N 3.11Å
103R94.8Very high96.6Very high101 Ų10140.1 Ų40.138%0.38124%0.239SC..G310 helixtrans-56.1-21.6172.367.6-178.4-179-75.9-4.2113.8L66 L100 Q101 P107L66-R103 PolarHBondContact O-NH2 3.45Å; L100-R103 PolarHBondContact O-NH1 3.23Å; Q101-R103 PolarHBondContact O-N 2.65Å; R103-P107 WeakPolarHBondContact O-CD 3.4Å
104F95.8Very high96.6Very high0 Ų044 Ų440%027%0.265CS..G310 helixtrans-85.5-10176.9-59.8-46.8000114.3L60 L66 L69 F74 I97 Q101 S102 A108L60-F104 HydrophobicContact CD1-CB 4.29Å; L60-F104 HydrophobicContact CD1-CD2 3.82Å; L60-F104 HydrophobicContact CD1-CG 4.42Å; L66-F104 HydrophobicContact CD2-CE2 4.03Å; L69-F104 HydrophobicContact CB-CZ 4.15Å; L69-F104 HydrophobicContact CD2-CE1 4.48Å; L69-F104 HydrophobicContact CD2-CZ 4.27Å; L69-F104 HydrophobicContact CG-CE1 4.42Å; L69-F104 HydrophobicContact CG-CZ 4.31Å; L69-F104 WeakPolarHBondContact O-CE1 3.35Å; L69-F104 VanDerWaalsContact O-CZ 3.24Å; L69-F104 WeakPolarHBondContact O-CZ 3.45Å; F74-F104 HydrophobicContact CB-CD1 3.58Å; F74-F104 HydrophobicContact CB-CE1 3.66Å; F74-F104 HydrophobicContact CB-CG 4.48Å; F74-F104 HydrophobicContact CD1-CB 3.8Å; F74-F104 AromaticContact CD1-CD1 3.7Å; F74-F104 HydrophobicContact CD1-CD1 3.7Å; F74-F104 AromaticContact CD1-CG 3.99Å; F74-F104 HydrophobicContact CD1-CG 3.99Å; F74-F104 HydrophobicContact CD2-CD1 4.07Å; F74-F104 HydrophobicContact CD2-CE1 4.44Å; F74-F104 HydrophobicContact CD2-CG 4.18Å; F74-F104 HydrophobicContact CE1-CB 3.68Å; F74-F104 HydrophobicContact CE1-CD1 4.44Å; F74-F104 HydrophobicContact CE1-CG 4.28Å; F74-F104 HydrophobicContact CE2-CB 4.44Å; F74-F104 HydrophobicContact CE2-CG 4.46Å; F74-F104 HydrophobicContact CG-CB 4.24Å; F74-F104 AromaticContact CG-CD1 3.48Å; F74-F104 HydrophobicContact CG-CD1 3.48Å; F74-F104 VanDerWaalsContact CG-CD1 3.48Å; F74-F104 AromaticContact CG-CE1 3.99Å; F74-F104 HydrophobicContact CG-CE1 3.99Å; F74-F104 AromaticContact CG-CG 3.93Å; F74-F104 HydrophobicContact CG-CG 3.93Å; F74-F104 HydrophobicContact CZ-CB 4.02Å; I97-F104 HydrophobicContact CD1-CB 4.36Å; Q101-F104 HydrophobicContact CB-CD2 4.01Å; Q101-F104 HydrophobicContact CB-CE2 4.23Å; Q101-F104 WeakPolarHBondContact O-CD2 3.32Å; Q101-F104 PolarHBondContact O-N 3.24Å; S102-F104 PolarHBondContact O-N 3.2Å; S102-F104 VanDerWaalsContact O-N 3.08Å; F104-A108 WeakPolarHBondContact O-CB 3.3Å; F104-A108 PolarHBondContact O-N 2.84Å; F104-A108 VanDerWaalsContact O-N 3.08Å
105I97.6Very high96.6Very high31 Ų3148.8 Ų48.816%0.15929%0.287CS..Hα-helixtrans-64.5-48.3178.9-67.7171.2000110.9I97 S102 A108 A109 F115 L125I97-I105 HydrophobicContact CD1-CG1 3.81Å; I97-I105 HydrophobicContact CG2-CG1 4.3Å; S102-I105 VanDerWaalsContact O-CB 3.26Å; S102-I105 WeakPolarHBondContact O-CB 3.5Å; S102-I105 WeakPolarHBondContact O-CG1 3.12Å; S102-I105 PolarHBondContact O-N 3.11Å; I105-A108 PolarHBondContact O-N 2.98Å; I105-A109 WeakPolarHBondContact O-CB 3.32Å; I105-A109 PolarHBondContact O-N 2.88Å; I105-F115 HydrophobicContact CD1-CE1 4.29Å; I105-F115 HydrophobicContact CG2-CE1 3.8Å; I105-F115 HydrophobicContact CG2-CZ 3.62Å; I105-L125 HydrophobicContact CG1-CD1 4.41Å; I105-L125 HydrophobicContact CG2-CD2 4.28Å
106A97.7Very high96.6Very high72 Ų7250.7 Ų50.760%0.59530%0.296SS*.Hα-helixtrans-63.3-45.2-178.700000112.8A108 A109 S110A106-A108 PolarHBondContact O-N 2.98Å; A106-A109 PolarHBondContact O-N 2.94Å; A106-S110 PolarHBondContact O-N 2.95Å
107P97.1Very high96.6Very high11 Ų1151.2 Ų51.27%0.07130%0.298CS..Hα-helixtrans-54.4-42.2167.4-32.437.6000115.2A71 F74 Q75 R103 S110A71-P107 HydrophobicContact CB-CG 3.84Å; F74-P107 HydrophobicContact CD1-CB 3.89Å; F74-P107 HydrophobicContact CE1-CB 4.31Å; Q75-P107 HydrophobicContact CB-CB 3.96Å; Q75-P107 HydrophobicContact CG-CB 4.21Å; R103-P107 WeakPolarHBondContact O-CD 3.4Å; P107-S110 PolarHBondContact O-OG 3.45Å
108A98.1Very high96.5Very high0 Ų054.7 Ų54.70%033%0.327CS..Hα-helixtrans-67-42.9177.400000111.2F74 L78 L95 F104 I105 A106 S110 L111 F113 L125F74-A108 HydrophobicContact CE1-CB 4.46Å; L78-A108 HydrophobicContact CD2-CB 3.8Å; L95-A108 HydrophobicContact CD2-CB 3.64Å; F104-A108 WeakPolarHBondContact O-CB 3.3Å; F104-A108 PolarHBondContact O-N 2.84Å; F104-A108 VanDerWaalsContact O-N 3.08Å; I105-A108 PolarHBondContact O-N 2.98Å; A106-A108 PolarHBondContact O-N 2.98Å; A108-S110 VanDerWaalsContact C-N 3.3Å; A108-S110 PolarHBondContact O-N 2.78Å; A108-L111 WeakPolarHBondContact O-CB 3.36Å; A108-L111 PolarHBondContact O-N 3.25Å; A108-F113 HydrophobicContact CB-CB 4.14Å; A108-F113 HydrophobicContact CB-CD2 4.24Å; A108-F113 HydrophobicContact CB-CG 4.18Å; A108-F113 WeakPolarHBondContact O-CB 3.28Å; A108-F113 VanDerWaalsContact O-CD2 3.29Å; A108-F113 WeakPolarHBondContact O-CD2 3.25Å; A108-F113 PolarHBondContact O-N 3.39Å; A108-L125 HydrophobicContact CB-CD2 3.96Å
109A98.3Very high96.4Very high50 Ų5058.4 Ų58.441%0.41334%0.342SS..Hα-helixtrans-61.4-36.6178.800000112.6I105 A106 L111 G112 F113I105-A109 WeakPolarHBondContact O-CB 3.32Å; I105-A109 PolarHBondContact O-N 2.88Å; A106-A109 PolarHBondContact O-N 2.94Å; A109-L111 PolarHBondContact O-N 3.37Å; A109-G112 PolarHBondContact O-N 2.78Å; A109-F113 WeakPolarHBondContact CA-O 3.41Å
110S97.9Very high96.2Very high75 Ų7559.9 Ų59.952%0.52436%0.361SS..Hα-helixtrans-65.5-19.4175.975.50000113.4Q75 A106 P107 A108 G112Q75-S110 PolarHBondContact NE2-OG 3.06Å; Q75-S110 VanDerWaalsContact NE2-OG 3.17Å; A106-S110 PolarHBondContact O-N 2.95Å; P107-S110 PolarHBondContact O-OG 3.45Å; A108-S110 VanDerWaalsContact C-N 3.3Å; A108-S110 PolarHBondContact O-N 2.78Å; S110-G112 VanDerWaalsContact C-N 3.34Å
111L97.8Very high96.3Very high38 Ų3858 Ų5820%0.19935%0.352CS..THydrogen-bonded Turntrans-927.1173-60.1176.6000113.2Q75 L78 Q79 A108 A109 F113Q75-L111 HydrophobicContact CG-CD1 4.21Å; Q75-L111 HydrophobicContact CG-CD2 4.46Å; Q75-L111 HydrophobicContact CG-CG 4.31Å; L78-L111 HydrophobicContact CB-CD1 3.87Å; L78-L111 HydrophobicContact CD2-CD1 3.89Å; L78-L111 HydrophobicContact CG-CD1 3.73Å; Q79-L111 HydrophobicContact CB-CD1 4.05Å; Q79-L111 HydrophobicContact CB-CD2 4Å; Q79-L111 HydrophobicContact CG-CD2 4.15Å; A108-L111 WeakPolarHBondContact O-CB 3.36Å; A108-L111 PolarHBondContact O-N 3.25Å; A109-L111 PolarHBondContact O-N 3.37Å; L111-F113 HydrophobicContact CB-CD2 4.3Å
112G97.4Very high96.4Very high43 Ų4359 Ų5944%0.44336%0.361SS..THydrogen-bonded Turntrans91.78.4176.300000115.1A109 S110 L127A109-G112 PolarHBondContact O-N 2.78Å; S110-G112 VanDerWaalsContact C-N 3.34Å; G112-L127 WeakPolarHBondContact O-CD1 3.27Å
113F98.3Very high96.5Very high7 Ų757.1 Ų57.13%0.03135%0.348CS..  trans-67.8139.4170.7-75.7-104.5000110.7L78 V82 V93 L95 A108 A109 L111 L125 T126 L127L78-F113 HydrophobicContact CD1-CE2 4.08Å; L78-F113 HydrophobicContact CD1-CZ 3.94Å; L78-F113 HydrophobicContact CD2-CD2 4.3Å; L78-F113 HydrophobicContact CD2-CE2 3.83Å; L78-F113 HydrophobicContact CD2-CZ 4.31Å; L78-F113 HydrophobicContact CG-CE2 4.05Å; L78-F113 HydrophobicContact CG-CZ 4.41Å; V82-F113 HydrophobicContact CG2-CE2 4Å; V82-F113 HydrophobicContact CG2-CZ 4.1Å; V93-F113 HydrophobicContact CB-CE1 3.84Å; V93-F113 HydrophobicContact CB-CZ 3.89Å; V93-F113 HydrophobicContact CG1-CE1 3.79Å; V93-F113 HydrophobicContact CG1-CZ 3.78Å; V93-F113 HydrophobicContact CG2-CZ 4.49Å; L95-F113 HydrophobicContact CB-CD1 4.15Å; L95-F113 HydrophobicContact CB-CE1 3.86Å; L95-F113 HydrophobicContact CD2-CD1 4.42Å; L95-F113 HydrophobicContact CD2-CE1 4.36Å; A108-F113 HydrophobicContact CB-CB 4.14Å; A108-F113 HydrophobicContact CB-CD2 4.24Å; A108-F113 HydrophobicContact CB-CG 4.18Å; A108-F113 WeakPolarHBondContact O-CB 3.28Å; A108-F113 VanDerWaalsContact O-CD2 3.29Å; A108-F113 WeakPolarHBondContact O-CD2 3.25Å; A108-F113 PolarHBondContact O-N 3.39Å; A109-F113 WeakPolarHBondContact CA-O 3.41Å; L111-F113 HydrophobicContact CB-CD2 4.3Å; F113-L125 HydrophobicContact CB-CB 4.19Å; F113-L125 HydrophobicContact CB-CD2 4.02Å; F113-L125 HydrophobicContact CD1-CB 4.1Å; F113-T126 WeakPolarHBondContact CA-O 3.43Å; F113-L127 HydrophobicContact CD1-CB 3.71Å; F113-L127 HydrophobicContact CD2-CB 3.95Å; F113-L127 HydrophobicContact CD2-CD2 4.07Å; F113-L127 HydrophobicContact CE1-CB 3.63Å; F113-L127 HydrophobicContact CE2-CB 3.89Å; F113-L127 HydrophobicContact CE2-CD2 3.6Å; F113-L127 HydrophobicContact CE2-CG 4.35Å; F113-L127 HydrophobicContact CG-CB 3.87Å; F113-L127 HydrophobicContact CZ-CB 3.72Å; F113-L127 HydrophobicContact CZ-CD2 3.96Å
114C97.6Very high96.7Very high81 Ų8152.5 Ų52.555%0.54733%0.331SS..EExtended strand (participates in β ladder)trans-114.4154.1174.4-67.10000110.5H116 L125 T126C114-H116 PolarHBondContact O-N 3.15Å; C114-L125 CarbonylContact O-C 3.5Å; C114-L125 VanDerWaalsContact O-CA 3.22Å; C114-L125 WeakPolarHBondContact O-CA 3.42Å; C114-T126 PolarHBondContact N-O 2.98Å; C114-T126 PolarHBondContact O-N 2.96Å
115F97.6Very high96.8Very high141 Ų14152.6 Ų52.662%0.61833%0.332SS*.EExtended strand (participates in β ladder)trans-63.4135.8168.9-72-55.8000110.9I105 L125I105-F115 HydrophobicContact CD1-CE1 4.29Å; I105-F115 HydrophobicContact CG2-CE1 3.8Å; I105-F115 HydrophobicContact CG2-CZ 3.62Å; F115-L125 HydrophobicContact CD1-CD1 3.88Å; F115-L125 HydrophobicContact CD1-CG 3.95Å; F115-L125 HydrophobicContact CE1-CD1 3.93Å; F115-L125 HydrophobicContact CE1-CG 4.26Å
116H97.3Very high96.8Very high39 Ų3952 Ų5218%0.18133%0.329CS..EExtended strand (participates in β ladder)trans-105.4-51.5168.5-176.6-64.3000111W94 C114 T124 T126 P137 Y139W94-H116 AromaticContact CH2-NE2 3.88Å; W94-H116 AromaticContact CZ3-CD2 3.53Å; W94-H116 AromaticContact CZ3-NE2 3.61Å; C114-H116 PolarHBondContact O-N 3.15Å; H116-T124 HydrophobicContact CB-CG2 4.44Å; H116-T124 WeakPolarHBondContact CB-O 3.43Å; H116-T124 PolarHBondContact N-O 2.85Å; H116-T126 HydrophobicContact CB-CG2 3.83Å; H116-P137 PolarHBondContact NE2-O 2.92Å; H116-Y139 AromaticContact CE1-CD2 3.82Å; H116-Y139 PolarHBondContact CE1-N 3.16Å; H116-Y139 AromaticContact ND1-CD2 3.99Å
117H96.6Very high96.9Very high40 Ų4049.1 Ų49.119%0.18530%0.304CS..EExtended strand (participates in β ladder)trans-162.5169.2177.163.7-78.9000111.3T124 Y139H117-T124 WeakPolarHBondContact CE1-CB 3.35Å; H117-T124 PolarHBondContact CE1-OG1 2.95Å; H117-T124 VanDerWaalsContact CE1-OG1 3.25Å; H117-T124 PolarHBondContact N-O 2.81Å; H117-T124 PolarHBondContact NE2-OG1 3.04Å; H117-T124 PolarHBondContact O-N 2.94Å; H117-Y139 HydrophobicContact CB-CD1 3.41Å; H117-Y139 VanDerWaalsContact CB-CD1 3.41Å; H117-Y139 HydrophobicContact CB-CD2 3.74Å; H117-Y139 HydrophobicContact CB-CE1 3.84Å; H117-Y139 HydrophobicContact CB-CE2 4.15Å; H117-Y139 HydrophobicContact CB-CG 3.38Å; H117-Y139 AromaticContact CD2-CE2 3.68Å; H117-Y139 AromaticContact CD2-CZ 3.85Å; H117-Y139 AromaticContact CG-CD2 3.56Å; H117-Y139 AromaticContact CG-CE2 3.74Å; H117-Y139 AromaticContact CG-CG 3.79Å; H117-Y139 AromaticContact ND1-CD2 3.69Å
118A95.8Very high96.9Very high74 Ų7451.3 Ų51.361%0.61231%0.311SS*.EExtended strand (participates in β ladder)trans-140.6142.6166.600000108.9S122A118-S122 CarbonylContact C-O 3.53Å; A118-S122 VanDerWaalsContact CA-O 3.29Å; A118-S122 WeakPolarHBondContact CA-O 3.37Å
119E91.4Very high96.8Very high108 Ų10852.5 Ų52.551%0.50532%0.317SS..EExtended strand (participates in β ladder)trans-135.9128.2177.7-66.8-170.5126.600109D121 S122 Y139E119-D121 PolarHBondContact O-N 2.82Å; E119-S122 PolarHBondContact N-O 3.38Å; E119-S122 PolarHBondContact O-N 3.4Å; E119-Y139 PolarHBondContact OE1-OH 3.19Å
120S92.3Very high96.5Very high130 Ų13051.5 Ų51.591%0.90931%0.311SS*.THydrogen-bonded Turntrans48.7-99.9179.1-54.90000113
121D94.6Very high96.1Very high108 Ų10856.6 Ų56.658%0.57833%0.327SS*.THydrogen-bonded Turntrans-111.914.6-17567.8-19.7000113.7P98 I99 E119P98-D121 CarbonylContact C-O 3.38Å; P98-D121 WeakPolarHBondContact CA-O 3.45Å; I99-D121 WeakPolarHBondContact CB-O 3.27Å; I99-D121 HydrophobicContact CG2-CB 3.89Å; I99-D121 PolarHBondContact N-O 2.86Å; E119-D121 PolarHBondContact O-N 2.82Å
122S95.9Very high95.8Very high40 Ų4057.7 Ų57.728%0.2835%0.347SS..EExtended strand (participates in β ladder)trans-135.1139.7179.1-176.20000112.3A118 E119A118-S122 CarbonylContact C-O 3.53Å; A118-S122 VanDerWaalsContact CA-O 3.29Å; A118-S122 WeakPolarHBondContact CA-O 3.37Å; E119-S122 PolarHBondContact N-O 3.38Å; E119-S122 PolarHBondContact O-N 3.4Å
123S97.4Very high95.6Very high11 Ų1160.9 Ų60.98%0.07736%0.36CS..EExtended strand (participates in β ladder)trans-107.7147.2170.264.60000110.7H96 I97H96-S123 CarbonylContact C-O 3.56Å; H96-S123 WeakPolarHBondContact CA-O 3.38Å; I97-S123 PolarHBondContact N-O 2.95Å; I97-S123 PolarHBondContact O-N 3.02Å; I97-S123 PolarHBondContact O-OG 3.42Å
124T98Very high95.4Very high4 Ų463.8 Ų63.83%0.02538%0.381CS..EExtended strand (participates in β ladder)trans-119.4120174.7-58.90000108.7W94 L95 H96 H116 H117W94-T124 HydrophobicContact CE3-CG2 4.08Å; L95-T124 WeakPolarHBondContact O-CA 3.37Å; H96-T124 PolarHBondContact ND1-OG1 3.02Å; H116-T124 HydrophobicContact CB-CG2 4.44Å; H116-T124 WeakPolarHBondContact CB-O 3.43Å; H116-T124 PolarHBondContact N-O 2.85Å; H117-T124 WeakPolarHBondContact CE1-CB 3.35Å; H117-T124 PolarHBondContact CE1-OG1 2.95Å; H117-T124 VanDerWaalsContact CE1-OG1 3.25Å; H117-T124 PolarHBondContact N-O 2.81Å; H117-T124 PolarHBondContact NE2-OG1 3.04Å; H117-T124 PolarHBondContact O-N 2.94Å
125L98.4Very high95.2Very high2 Ų269.4 Ų69.41%0.0139%0.391CS..EExtended strand (participates in β ladder)trans-107.3153.3173.1-73.774.4000109.8W94 L95 I97 I105 A108 F113 C114 F115W94-L125 WeakPolarHBondContact CA-O 2.88Å; L95-L125 HydrophobicContact CB-CB 4.34Å; L95-L125 PolarHBondContact N-O 2.76Å; L95-L125 PolarHBondContact O-N 3.4Å; I97-L125 HydrophobicContact CD1-CD1 4.05Å; I97-L125 HydrophobicContact CG1-CD1 4.48Å; I105-L125 HydrophobicContact CG1-CD1 4.41Å; I105-L125 HydrophobicContact CG2-CD2 4.28Å; A108-L125 HydrophobicContact CB-CD2 3.96Å; F113-L125 HydrophobicContact CB-CB 4.19Å; F113-L125 HydrophobicContact CB-CD2 4.02Å; F113-L125 HydrophobicContact CD1-CB 4.1Å; C114-L125 CarbonylContact O-C 3.5Å; C114-L125 VanDerWaalsContact O-CA 3.22Å; C114-L125 WeakPolarHBondContact O-CA 3.42Å; F115-L125 HydrophobicContact CD1-CD1 3.88Å; F115-L125 HydrophobicContact CD1-CG 3.95Å; F115-L125 HydrophobicContact CE1-CD1 3.93Å; F115-L125 HydrophobicContact CE1-CG 4.26Å
126T98.2Very high95Very high17 Ų1764.2 Ų64.210%0.10437%0.369CS..EExtended strand (participates in β ladder)trans-132.3144.3179.253.30000112.4V93 W94 F113 C114 H116 L136V93-T126 CarbonylContact O-C 3.56Å; V93-T126 VanDerWaalsContact O-CA 3.25Å; V93-T126 WeakPolarHBondContact O-CA 3.23Å; W94-T126 HydrophobicContact CD2-CG2 3.9Å; W94-T126 HydrophobicContact CE3-CG2 3.24Å; W94-T126 HydrophobicContact CH2-CG2 4.2Å; W94-T126 HydrophobicContact CZ3-CG2 3.42Å; W94-T126 VanDerWaalsContact CZ3-CG2 3.42Å; F113-T126 WeakPolarHBondContact CA-O 3.43Å; C114-T126 PolarHBondContact N-O 2.98Å; C114-T126 PolarHBondContact O-N 2.96Å; H116-T126 HydrophobicContact CB-CG2 3.83Å; T126-L136 HydrophobicContact CG2-CD1 4.03Å
127L98.1Very high94.7Very high13 Ų1366.7 Ų66.77%0.06839%0.389CS..EExtended strand (participates in β ladder)trans-126.8121.8167.7176.664.7000108.9V82 A92 V93 G112 F113 L129V82-L127 HydrophobicContact CG1-CD2 3.71Å; V82-L127 HydrophobicContact CG2-CD2 3.91Å; A92-L127 CarbonylContact C-O 3.52Å; A92-L127 VanDerWaalsContact CA-O 3.3Å; A92-L127 WeakPolarHBondContact CA-O 3.32Å; V93-L127 HydrophobicContact CB-CB 4.34Å; V93-L127 PolarHBondContact N-O 2.93Å; V93-L127 PolarHBondContact O-N 3.11Å; G112-L127 WeakPolarHBondContact O-CD1 3.27Å; F113-L127 HydrophobicContact CD1-CB 3.71Å; F113-L127 HydrophobicContact CD2-CB 3.95Å; F113-L127 HydrophobicContact CD2-CD2 4.07Å; F113-L127 HydrophobicContact CE1-CB 3.63Å; F113-L127 HydrophobicContact CE2-CB 3.89Å; F113-L127 HydrophobicContact CE2-CD2 3.6Å; F113-L127 HydrophobicContact CE2-CG 4.35Å; F113-L127 HydrophobicContact CG-CB 3.87Å; F113-L127 HydrophobicContact CZ-CB 3.72Å; F113-L127 HydrophobicContact CZ-CD2 3.96Å; L127-L129 HydrophobicContact CD2-CD2 3.66Å; L127-L129 HydrophobicContact CG-CD2 3.79Å
128W97.8Very high94.4Very high57 Ų5768.1 Ų68.122%0.21641%0.414CS..EExtended strand (participates in β ladder)trans-79.9129.8170.7-176.5-114.2000109.5T91 A92 G130 R135 L136T91-W128 WeakPolarHBondContact O-CZ3 3.39Å; A92-W128 HydrophobicContact CB-CE3 4.01Å; A92-W128 HydrophobicContact CB-CZ3 4.27Å; W128-G130 VanDerWaalsContact CD1-O 3.27Å; W128-G130 PolarHBondContact NE1-O 3.49Å; W128-G130 VanDerWaalsContact NE1-O 3.07Å; W128-R135 HydrophobicContact CH2-CB 4.12Å; W128-R135 HydrophobicContact CH2-CG 4.49Å; W128-R135 HydrophobicContact CZ2-CB 4.37Å; W128-R135 HydrophobicContact CZ2-CG 4.28Å; W128-L136 HydrophobicContact CE3-CD1 4.37Å; W128-L136 HydrophobicContact CE3-CD2 4.15Å; W128-L136 HydrophobicContact CE3-CG 3.89Å; W128-L136 HydrophobicContact CZ3-CD2 4.22Å; W128-L136 HydrophobicContact CZ3-CG 4.34Å
129L96.4Very high94.3Very high25 Ų2569.4 Ų69.413%0.13140%0.404CS..  trans-108.3-18.6-180-57.9-177.4000112.7V82 W85 R86 R90 T91 V93 L127V82-L129 HydrophobicContact CG1-CD2 3.97Å; W85-L129 HydrophobicContact CB-CD1 4.06Å; R86-L129 HydrophobicContact CG-CB 4.27Å; R86-L129 HydrophobicContact CG-CD1 4.2Å; R86-L129 HydrophobicContact CG-CD2 3.91Å; R86-L129 HydrophobicContact CG-CG 4.36Å; R90-L129 HydrophobicContact CB-CD1 4.11Å; R90-L129 WeakPolarHBondContact O-CB 3.29Å; T91-L129 WeakPolarHBondContact O-CA 3.18Å; T91-L129 PolarHBondContact O-N 3.39Å; V93-L129 HydrophobicContact CG2-CD1 3.66Å; V93-L129 HydrophobicContact CG2-CD2 4.31Å; V93-L129 HydrophobicContact CG2-CG 4.08Å; L127-L129 HydrophobicContact CD2-CD2 3.66Å; L127-L129 HydrophobicContact CG-CD2 3.79Å
130G90.8Very high94.2Very high28 Ų2867.7 Ų67.729%0.28941%0.408SS..SBendtrans-69.9169.317800000113.5T91 W128T91-G130 PolarHBondContact O-N 3.31Å; W128-G130 VanDerWaalsContact CD1-O 3.27Å; W128-G130 PolarHBondContact NE1-O 3.49Å; W128-G130 VanDerWaalsContact NE1-O 3.07Å
131E89.9Confident94.1Very high183 Ų18364.7 Ų64.786%0.85539%0.387SS*.SBendtrans-71.2145.4175.5-62.9-170.9165.900112.1
132G91.3Very high94.1Very high61 Ų6162.6 Ų62.663%0.62937%0.374SS*.SBendtrans74.5-161.3174.800000114.5
133P93.1Very high94Very high109 Ų10963.5 Ų63.571%0.70837%0.374SS*.SBendtrans-65.8145.8-177.127.6-34.1000111.5R135P133-R135 PolarHBondContact O-N 3.22Å
134S94.4Very high93.9Very high68 Ų6865.2 Ų65.248%0.47638%0.383SS..  trans-55.8133.7176.3-179.40000111.2L136S134-L136 PolarHBondContact OG-N 2.84Å
135R93.4Very high93.9Very high199 Ų19965 Ų6575%0.75138%0.383SS*.  trans-106.510.8174.5-57.5-178.7-169.9171.33.3112.3W128 P133W128-R135 HydrophobicContact CH2-CB 4.12Å; W128-R135 HydrophobicContact CH2-CG 4.49Å; W128-R135 HydrophobicContact CZ2-CB 4.37Å; W128-R135 HydrophobicContact CZ2-CG 4.28Å; P133-R135 PolarHBondContact O-N 3.22Å
136L93.6Very high93.9Very high32 Ų3265 Ų6517%0.16838%0.382CS..PPolyproline II helixtrans-64.2132174.9-61.5170.3000108.4A92 W94 T126 W128 S134A92-L136 HydrophobicContact CB-CD1 4.12Å; A92-L136 HydrophobicContact CB-CD2 3.55Å; A92-L136 HydrophobicContact CB-CG 4.29Å; W94-L136 HydrophobicContact CH2-CB 4.37Å; W94-L136 HydrophobicContact CH2-CD2 4.04Å; W94-L136 HydrophobicContact CZ2-CD2 3.43Å; W94-L136 VanDerWaalsContact CZ2-CD2 3.43Å; W94-L136 HydrophobicContact CZ2-CG 4.4Å; T126-L136 HydrophobicContact CG2-CD1 4.03Å; W128-L136 HydrophobicContact CE3-CD1 4.37Å; W128-L136 HydrophobicContact CE3-CD2 4.15Å; W128-L136 HydrophobicContact CE3-CG 3.89Å; W128-L136 HydrophobicContact CZ3-CD2 4.22Å; W128-L136 HydrophobicContact CZ3-CG 4.34Å; S134-L136 PolarHBondContact OG-N 2.84Å
137P90.6Very high93.9Very high92 Ų9264.2 Ų64.260%0.59738%0.378SS*.PPolyproline II helixtrans-60.7146.1176.327.4-34000109.2H116H116-P137 PolarHBondContact NE2-O 2.92Å
138G91.1Very high93.9Very high69 Ų6963.6 Ų63.671%0.71137%0.374SS*.PPolyproline II helixtrans-65.9162.9168.300000111.3
139Y92.7Very high94Very high102 Ų10260.9 Ų60.940%0.436%0.364SS..SBendtrans-70.5-172.8169.9-160.7-123000112.2H116 H117 E119 S141H116-Y139 AromaticContact CE1-CD2 3.82Å; H116-Y139 PolarHBondContact CE1-N 3.16Å; H116-Y139 AromaticContact ND1-CD2 3.99Å; H117-Y139 HydrophobicContact CB-CD1 3.41Å; H117-Y139 VanDerWaalsContact CB-CD1 3.41Å; H117-Y139 HydrophobicContact CB-CD2 3.74Å; H117-Y139 HydrophobicContact CB-CE1 3.84Å; H117-Y139 HydrophobicContact CB-CE2 4.15Å; H117-Y139 HydrophobicContact CB-CG 3.38Å; H117-Y139 AromaticContact CD2-CE2 3.68Å; H117-Y139 AromaticContact CD2-CZ 3.85Å; H117-Y139 AromaticContact CG-CD2 3.56Å; H117-Y139 AromaticContact CG-CE2 3.74Å; H117-Y139 AromaticContact CG-CG 3.79Å; H117-Y139 AromaticContact ND1-CD2 3.69Å; E119-Y139 PolarHBondContact OE1-OH 3.19Å; Y139-S141 PolarHBondContact O-N 3.46Å
140A91Very high94.1Very high71 Ų7159.7 Ų59.759%0.58736%0.358SS*.  trans-49.2122.4174.600000111.9
141S90.4Very high94.5Very high68 Ų6858.4 Ų58.448%0.47635%0.345SS..  trans-107.3-22.2-173.2570000113.8Y139 S221Y139-S141 PolarHBondContact O-N 3.46Å; S141-S221 PolarHBondContact O-N 2.76Å
142H93.3Very high94.9Very high63 Ų6350.5 Ų50.529%0.29231%0.308SS..EExtended strand (participates in β ladder)trans-123.8141.5-177.3-65.170.5000110.1Q210 S221H142-Q210 PolarHBondContact NE2-NE2 3.25Å; H142-S221 VanDerWaalsContact CA-O 3.32Å; H142-S221 WeakPolarHBondContact CA-O 3.44Å; H142-S221 WeakPolarHBondContact CD2-CB 3.33Å; H142-S221 WeakPolarHBondContact NE2-CB 3.23Å
143Q93.8Very high95.2Very high60 Ų6051.2 Ų51.228%0.2830%0.295SS..EExtended strand (participates in β ladder)trans-84.2146155.1-69.7-178.4-36.800108.6L177 A217 S221 M223Q143-L177 HydrophobicContact CB-CD2 4.17Å; Q143-A217 VanDerWaalsContact OE1-CB 3.22Å; Q143-S221 PolarHBondContact N-O 2.88Å; Q143-S221 VanDerWaalsContact N-O 3.1Å; Q143-M223 PolarHBondContact O-N 3.18Å
144V96.3Very high95.4Very high46 Ų4650.9 Ų50.928%0.27930%0.295SS..EExtended strand (participates in β ladder)trans-110.4119.3174-178.70000108V146 S178 M223 I225V144-V146 HydrophobicContact CG1-CG2 4.36Å; V144-S178 PolarHBondContact O-N 2.96Å; V144-S178 PolarHBondContact O-OG 2.82Å; V144-M223 CarbonylContact C-O 3.57Å; V144-M223 VanDerWaalsContact CA-O 3.31Å; V144-M223 WeakPolarHBondContact CA-O 3.19Å; V144-I225 HydrophobicContact CG1-CD1 3.96Å; V144-I225 HydrophobicContact CG1-CG1 4.46Å
145G97.1Very high95.6Very high1 Ų150.8 Ų50.81%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-107.5152.516800000111G176 M223 Y224 I225G145-G176 CarbonylContact C-O 3.55Å; G145-G176 WeakPolarHBondContact CA-O 3.46Å; G145-M223 PolarHBondContact N-O 2.76Å; G145-Y224 CarbonylContact O-C 3.59Å; G145-Y224 VanDerWaalsContact O-CA 3.28Å; G145-Y224 WeakPolarHBondContact O-CA 3.34Å; G145-I225 PolarHBondContact O-N 2.81Å
146V98.6Very high95.8Very high0 Ų045.4 Ų45.40%027%0.272CS..EExtended strand (participates in β ladder)trans-134.2136.3-179.7-167.90000110.3V144 G175 G176 I184 T187 A188 I225 C227V144-V146 HydrophobicContact CG1-CG2 4.36Å; V146-G175 CarbonylContact O-C 3.57Å; V146-G175 WeakPolarHBondContact O-CA 3.34Å; V146-G176 PolarHBondContact N-O 3.25Å; V146-G176 PolarHBondContact O-N 3.13Å; V146-G176 VanDerWaalsContact O-N 3.12Å; V146-I184 HydrophobicContact CG1-CG2 3.78Å; V146-I184 HydrophobicContact CG2-CG2 3.97Å; V146-T187 HydrophobicContact CB-CG2 3.69Å; V146-T187 HydrophobicContact CG2-CG2 3.68Å; V146-A188 HydrophobicContact CG1-CB 3.71Å; V146-I225 CarbonylContact C-O 3.48Å; V146-I225 VanDerWaalsContact CA-O 3.24Å; V146-I225 WeakPolarHBondContact CA-O 3.45Å; V146-C227 WeakPolarHBondContact CG1-SG 3.23Å
147A98.5Very high96.1Very high1 Ų148.2 Ų48.21%0.00828%0.283CS..EExtended strand (participates in β ladder)trans-112146.8170.800000112.4F173 P174 Y224 I225 I226 C227A147-F173 HydrophobicContact CB-CB 4.06Å; A147-P174 VanDerWaalsContact CA-O 3.3Å; A147-P174 WeakPolarHBondContact CA-O 3.38Å; A147-Y224 HydrophobicContact CB-CE1 3.54Å; A147-Y224 WeakPolarHBondContact CB-OH 3.15Å; A147-I225 PolarHBondContact N-O 3.33Å; A147-I226 HydrophobicContact CB-CG1 4.3Å; A147-I226 HydrophobicContact CB-CG2 4.37Å; A147-C227 PolarHBondContact O-N 3.35Å
148G98.8Very high96.5Very high0 Ų043.9 Ų43.90%025%0.254CS..EExtended strand (participates in β ladder)trans-104.2107.8170.900000112.5V150 P174G148-V150 PolarHBondContact O-N 2.84Å; G148-P174 PolarHBondContact N-O 2.91Å; G148-P174 WeakPolarHBondContact O-CD 3.4Å
149A98.8Very high96.9Very high0 Ų040.6 Ų40.60%022%0.22CC..EExtended strand (participates in β ladder)trans-84.78716700000109.3F151 I158 F173 L206 I226 C227 L229 L271A149-F151 PolarHBondContact O-N 2.96Å; A149-I158 HydrophobicContact CB-CD1 4.23Å; A149-F173 HydrophobicContact CB-CD1 4.02Å; A149-F173 HydrophobicContact CB-CD2 4.28Å; A149-F173 HydrophobicContact CB-CE1 4.02Å; A149-F173 HydrophobicContact CB-CE2 4.27Å; A149-F173 HydrophobicContact CB-CG 4.17Å; A149-F173 HydrophobicContact CB-CZ 4.15Å; A149-L206 HydrophobicContact CB-CD1 4.2Å; A149-I226 HydrophobicContact CB-CG2 4.43Å; A149-C227 WeakPolarHBondContact CB-O 3.48Å; A149-C227 PolarHBondContact N-O 3.37Å; A149-L229 PolarHBondContact O-N 3.24Å; A149-L271 HydrophobicContact CB-CD1 3.99Å
150V98.9Very high97.1Very high0 Ų035.7 Ų35.70%020%0.201CC..EExtended strand (participates in β ladder)trans-80.2104.2-177.7-168.80000109.8G148 I158 L159 V192 I198 L229 P231 W248G148-V150 PolarHBondContact O-N 2.84Å; V150-I158 WeakPolarHBondContact O-CD1 3.38Å; V150-L159 HydrophobicContact CB-CB 3.82Å; V150-L159 HydrophobicContact CB-CD2 4.14Å; V150-L159 HydrophobicContact CG2-CB 4.38Å; V150-L159 HydrophobicContact CG2-CD2 3.99Å; V150-L159 PolarHBondContact O-N 2.64Å; V150-V192 HydrophobicContact CG2-CB 4.25Å; V150-V192 HydrophobicContact CG2-CG1 3.58Å; V150-V192 HydrophobicContact CG2-CG2 3.56Å; V150-I198 HydrophobicContact CG1-CG2 4.32Å; V150-L229 WeakPolarHBondContact CA-O 3.49Å; V150-L229 HydrophobicContact CB-CB 4.44Å; V150-L229 HydrophobicContact CG2-CB 4.07Å; V150-L229 HydrophobicContact CG2-CD1 3.9Å; V150-P231 HydrophobicContact CG1-CB 3.67Å; V150-P231 HydrophobicContact CG1-CG 3.95Å; V150-W248 HydrophobicContact CB-CH2 4.45Å; V150-W248 HydrophobicContact CG1-CH2 3.82Å; V150-W248 HydrophobicContact CG1-CZ3 4.37Å; V150-W248 WeakPolarHBondContact O-CZ3 3.43Å
151F98.9Very high97.4Very high2 Ų232.3 Ų32.31%0.00917%0.173CC..EExtended strand (participates in β ladder)trans-111.7121.8-174.5-178.1-119.3000111.3A149 E153 R156 K157 I158 L229 P231 L251 Y275 F279A149-F151 PolarHBondContact O-N 2.96Å; F151-E153 HydrophobicContact CD1-CG 3.69Å; F151-E153 HydrophobicContact CE1-CB 4.22Å; F151-E153 HydrophobicContact CE1-CG 3.68Å; F151-R156 HydrophobicContact CE2-CG 4.29Å; F151-R156 HydrophobicContact CZ-CG 4.16Å; F151-K157 VanDerWaalsContact CD2-O 3.29Å; F151-K157 WeakPolarHBondContact CD2-O 3.18Å; F151-I158 HydrophobicContact CB-CD1 3.86Å; F151-I158 HydrophobicContact CD2-CB 4.29Å; F151-I158 HydrophobicContact CD2-CD1 4.28Å; F151-L229 PolarHBondContact N-O 3.26Å; F151-P231 WeakPolarHBondContact O-CD 2.93Å; F151-L251 HydrophobicContact CD2-CD2 4.2Å; F151-L251 HydrophobicContact CE2-CB 4Å; F151-L251 HydrophobicContact CE2-CD2 3.58Å; F151-L251 HydrophobicContact CE2-CG 4.31Å; F151-L251 HydrophobicContact CZ-CD2 3.84Å; F151-Y275 AromaticContact CE1-CD2 3.66Å; F151-Y275 HydrophobicContact CE1-CD2 3.66Å; F151-Y275 HydrophobicContact CE1-CE2 4.46Å; F151-Y275 HydrophobicContact CE1-CG 4.12Å; F151-Y275 AromaticContact CZ-CD2 3.71Å; F151-Y275 HydrophobicContact CZ-CD2 3.71Å; F151-Y275 HydrophobicContact CZ-CE2 4.3Å; F151-Y275 AromaticContact CZ-CG 3.96Å; F151-Y275 HydrophobicContact CZ-CG 3.96Å; F151-F279 HydrophobicContact CD1-CE1 4.42Å; F151-F279 AromaticContact CD1-CZ 3.81Å; F151-F279 HydrophobicContact CD1-CZ 3.81Å; F151-F279 AromaticContact CE1-CZ 3.75Å; F151-F279 HydrophobicContact CE1-CZ 3.75Å
152D98.6Very high97.7Very high17 Ų1729.4 Ų29.49%0.09115%0.152CC..EExtended strand (participates in β ladder)trans-90.3102.6169.9178.53.8000109.4S154 T155 R156 K157 P231 F234 W248D152-S154 PolarHBondContact O-N 3.4Å; D152-S154 WeakPolarHBondContact OD1-CB 3.16Å; D152-S154 PolarHBondContact OD1-N 3.14Å; D152-S154 PolarHBondContact OD1-OG 2.98Å; D152-S154 PolarHBondContact OD2-OG 3.02Å; D152-T155 PolarHBondContact O-N 3.32Å; D152-T155 VanDerWaalsContact OD2-CG2 3.31Å; D152-T155 WeakPolarHBondContact OD2-CG2 3.5Å; D152-T155 PolarHBondContact OD2-OG1 3.37Å; D152-R156 VanDerWaalsContact O-CA 3.3Å; D152-R156 WeakPolarHBondContact O-CA 3.33Å; D152-R156 PolarHBondContact O-N 3.31Å; D152-K157 PolarHBondContact N-O 3.45Å; D152-K157 PolarHBondContact O-N 2.89Å; D152-P231 HydrophobicContact CB-CG 3.96Å; D152-F234 HydrophobicContact CB-CE1 4.37Å; D152-W248 HydrophobicContact CB-CZ3 4.45Å
153E97.7Very high97.6Very high76 Ų7627.5 Ų27.536%0.35514%0.144SC..THydrogen-bonded Turntrans-62.6-28.7179.3-61.2173.7-154.200112.5F151 R228 Y275 F279F151-E153 HydrophobicContact CD1-CG 3.69Å; F151-E153 HydrophobicContact CE1-CB 4.22Å; F151-E153 HydrophobicContact CE1-CG 3.68Å; E153-R228 IonicContact OE1-NH1 3.47Å; E153-R228 PolarHBondContact OE1-NH1 3.42Å; E153-Y275 WeakPolarHBondContact O-CE2 3.36Å; E153-F279 HydrophobicContact CG-CE2 3.76Å; E153-F279 HydrophobicContact CG-CZ 4.02Å; E153-F279 WeakPolarHBondContact OE1-CE2 3.36Å
154S97.7Very high97.2Very high101 Ų10131.5 Ų31.571%0.70616%0.156SC*.THydrogen-bonded Turntrans-74.5-32.4-176.573.40000112.8D152D152-S154 PolarHBondContact O-N 3.4Å; D152-S154 WeakPolarHBondContact OD1-CB 3.16Å; D152-S154 PolarHBondContact OD1-N 3.14Å; D152-S154 PolarHBondContact OD1-OG 2.98Å; D152-S154 PolarHBondContact OD2-OG 3.02Å
155T98.2Very high96.3Very high67 Ų6735.9 Ų35.941%0.41118%0.178SC..THydrogen-bonded Turntrans-108.7-6-179.163.80000113.2D152 K157D152-T155 PolarHBondContact O-N 3.32Å; D152-T155 VanDerWaalsContact OD2-CG2 3.31Å; D152-T155 WeakPolarHBondContact OD2-CG2 3.5Å; D152-T155 PolarHBondContact OD2-OG1 3.37Å; T155-K157 PolarHBondContact O-N 2.73Å; T155-K157 WeakPolarHBondContact OG1-CB 3.48Å; T155-K157 WeakPolarHBondContact OG1-CG 3.49Å; T155-K157 PolarHBondContact OG1-N 2.75Å
156R98.3Very high95.3Very high86 Ų8641.2 Ų41.233%0.32520%0.201SC..THydrogen-bonded Turntrans57.327.2-171.6-161.6-177.662.5-159.4-4.6112.7F151 D152 D250 L251 N252 Y275F151-R156 HydrophobicContact CE2-CG 4.29Å; F151-R156 HydrophobicContact CZ-CG 4.16Å; D152-R156 VanDerWaalsContact O-CA 3.3Å; D152-R156 WeakPolarHBondContact O-CA 3.33Å; D152-R156 PolarHBondContact O-N 3.31Å; R156-D250 IonicContact CZ-OD2 3.83Å; R156-D250 IonicContact NE-OD1 2.77Å; R156-D250 IonicContact NE-OD2 3.36Å; R156-D250 PolarHBondContact NE-OD2 2.92Å; R156-D250 VanDerWaalsContact NE-OD2 3.09Å; R156-D250 IonicContact NH2-OD1 2.94Å; R156-D250 IonicContact NH2-OD2 3.4Å; R156-D250 PolarHBondContact NH2-OD2 3.28Å; R156-L251 HydrophobicContact CG-CB 4.19Å; R156-L251 WeakPolarHBondContact O-CB 3.22Å; R156-L251 PolarHBondContact O-N 3.2Å; R156-N252 PolarHBondContact NE-ND2 3.36Å; R156-N252 PolarHBondContact NH1-ND2 2.91Å; R156-N252 PolarHBondContact NH2-ND2 3.24Å; R156-Y275 HydrophobicContact CG-CD1 4.18Å; R156-Y275 HydrophobicContact CG-CE1 3.88Å
157K98.8Very high93.3Very high91 Ų9148.8 Ų48.840%0.39624%0.241SC..EExtended strand (participates in β ladder)trans-97144.7178.8-63.6-166.9-177.6-1690111.8F151 D152 T155 W248 M249F151-K157 VanDerWaalsContact CD2-O 3.29Å; F151-K157 WeakPolarHBondContact CD2-O 3.18Å; D152-K157 PolarHBondContact N-O 3.45Å; D152-K157 PolarHBondContact O-N 2.89Å; T155-K157 PolarHBondContact O-N 2.73Å; T155-K157 WeakPolarHBondContact OG1-CB 3.48Å; T155-K157 WeakPolarHBondContact OG1-CG 3.49Å; T155-K157 PolarHBondContact OG1-N 2.75Å; K157-W248 HydrophobicContact CB-CB 4.16Å; K157-W248 HydrophobicContact CB-CE3 4.09Å; K157-W248 HydrophobicContact CD-CB 3.8Å; K157-M249 CarbonylContact C-O 3.03Å; K157-M249 VanDerWaalsContact CA-O 3.23Å; K157-M249 WeakPolarHBondContact CA-O 3.49Å
158I98.8Very high92.2Very high0 Ų056.6 Ų56.60%028%0.275CS..EExtended strand (participates in β ladder)trans-121.2134.9178.6-176.275.9000109.3A149 V150 F151 V160 F173 M249 L251 L254 L271A149-I158 HydrophobicContact CB-CD1 4.23Å; V150-I158 WeakPolarHBondContact O-CD1 3.38Å; F151-I158 HydrophobicContact CB-CD1 3.86Å; F151-I158 HydrophobicContact CD2-CB 4.29Å; F151-I158 HydrophobicContact CD2-CD1 4.28Å; I158-V160 HydrophobicContact CG2-CG1 4.41Å; I158-F173 HydrophobicContact CD1-CE1 4.12Å; I158-F173 HydrophobicContact CG1-CD1 4.43Å; I158-F173 HydrophobicContact CG1-CE1 3.82Å; I158-M249 HydrophobicContact CG2-CB 4.35Å; I158-M249 WeakPolarHBondContact CG2-O 3.26Å; I158-M249 PolarHBondContact N-O 2.8Å; I158-M249 PolarHBondContact O-N 3.31Å; I158-L251 HydrophobicContact CB-CD1 4.22Å; I158-L251 HydrophobicContact CG2-CB 4.48Å; I158-L251 HydrophobicContact CG2-CD1 4.08Å; I158-L254 HydrophobicContact CG1-CD2 4.19Å; I158-L254 HydrophobicContact CG2-CB 4.17Å; I158-L254 HydrophobicContact CG2-CD2 3.64Å; I158-L271 HydrophobicContact CD1-CD1 3.92Å
159L98.9Very high91.3Very high0 Ų060.5 Ų60.50%030%0.296CS..EExtended strand (participates in β ladder)trans-76.8125.9177-167.165.5000110.1V150 V192 T196 I198 I236 W248V150-L159 HydrophobicContact CB-CB 3.82Å; V150-L159 HydrophobicContact CB-CD2 4.14Å; V150-L159 HydrophobicContact CG2-CB 4.38Å; V150-L159 HydrophobicContact CG2-CD2 3.99Å; V150-L159 PolarHBondContact O-N 2.64Å; L159-V192 HydrophobicContact CD2-CG1 4.27Å; L159-T196 HydrophobicContact CD2-CG2 3.78Å; L159-T196 WeakPolarHBondContact CD2-OG1 3.19Å; L159-T196 HydrophobicContact CG-CG2 4.3Å; L159-I198 HydrophobicContact CD1-CG1 4.16Å; L159-I198 HydrophobicContact CD2-CB 3.9Å; L159-I198 HydrophobicContact CD2-CG1 3.73Å; L159-I198 HydrophobicContact CD2-CG2 4.27Å; L159-I236 HydrophobicContact CD1-CD1 3.88Å; L159-I236 HydrophobicContact CD1-CG1 4.15Å; L159-W248 HydrophobicContact CB-CE3 4.02Å; L159-W248 HydrophobicContact CB-CH2 4Å; L159-W248 HydrophobicContact CB-CZ3 3.71Å; L159-W248 HydrophobicContact CD1-CD2 4.02Å; L159-W248 HydrophobicContact CD1-CE3 4.29Å; L159-W248 HydrophobicContact CD1-CH2 4.37Å; L159-W248 HydrophobicContact CD1-CZ2 4.11Å; L159-W248 HydrophobicContact CD1-CZ3 4.47Å
160V98.5Very high91Very high0 Ų063.2 Ų63.20%031%0.309CS..EExtended strand (participates in β ladder)trans-135.1151.8178.8-69.10000111.2I158 W171 K172 C246 E247 M249 L254I158-V160 HydrophobicContact CG2-CG1 4.41Å; V160-W171 HydrophobicContact CB-CB 4.39Å; V160-W171 HydrophobicContact CB-CD2 4.4Å; V160-W171 HydrophobicContact CB-CE3 3.75Å; V160-W171 HydrophobicContact CB-CZ3 4.45Å; V160-W171 HydrophobicContact CG2-CD2 3.95Å; V160-W171 HydrophobicContact CG2-CE3 3.4Å; V160-W171 VanDerWaalsContact CG2-CE3 3.4Å; V160-W171 HydrophobicContact CG2-CG 4.49Å; V160-W171 HydrophobicContact CG2-CZ3 3.83Å; V160-K172 WeakPolarHBondContact CA-O 3.3Å; V160-C246 WeakPolarHBondContact O-CA 3.35Å; V160-E247 WeakPolarHBondContact CG2-O 3.29Å; V160-E247 PolarHBondContact N-O 2.82Å; V160-E247 PolarHBondContact O-N 2.85Å; V160-M249 HydrophobicContact CG2-CB 3.75Å; V160-M249 HydrophobicContact CG2-CE 3.93Å; V160-M249 HydrophobicContact CG2-SD 4.36Å; V160-L254 HydrophobicContact CG1-CD1 4.05Å; V160-L254 HydrophobicContact CG1-CD2 3.65Å; V160-L254 HydrophobicContact CG1-CG 4.46Å
161V97.5Very high90.9Very high0 Ų064.1 Ų64.10%031%0.313CS..EExtended strand (participates in β ladder)trans-128157.7178.5-60.80000110.9K172 P174 T196 R245 C246V161-K172 HydrophobicContact CG2-CD 4.24Å; V161-K172 HydrophobicContact CG2-CG 3.71Å; V161-K172 PolarHBondContact N-O 2.93Å; V161-K172 PolarHBondContact O-N 2.77Å; V161-P174 HydrophobicContact CG1-CB 4.37Å; V161-P174 HydrophobicContact CG2-CB 4.43Å; V161-T196 HydrophobicContact CG1-CG2 3.72Å; V161-R245 CarbonylContact C-O 3.5Å; V161-R245 VanDerWaalsContact CA-O 3.27Å; V161-R245 WeakPolarHBondContact CA-O 3.45Å; V161-C246 HydrophobicContact CG1-CB 4.07Å
162Q95.6Very high90.8Very high6 Ų665.8 Ų65.83%0.02832%0.32CS..EExtended strand (participates in β ladder)trans-118.3128.7165.5-69.5-176.9-23.500109.1N169 W171 C243 L244 R245Q162-N169 PolarHBondContact NE2-O 3.1Å; Q162-W171 HydrophobicContact CG-CD2 3.75Å; Q162-W171 HydrophobicContact CG-CE3 3.51Å; Q162-W171 HydrophobicContact CG-CG 4.45Å; Q162-W171 HydrophobicContact CG-CH2 4.06Å; Q162-W171 HydrophobicContact CG-CZ2 4.29Å; Q162-W171 HydrophobicContact CG-CZ3 3.68Å; Q162-W171 VanDerWaalsContact NE2-CE2 3.3Å; Q162-C243 CarbonylContact O-C 3.51Å; Q162-C243 WeakPolarHBondContact O-CA 3.47Å; Q162-L244 HydrophobicContact CB-CB 4.46Å; Q162-L244 PolarHBondContact O-N 2.78Å; Q162-R245 HydrophobicContact CB-CB 4.37Å; Q162-R245 PolarHBondContact N-O 2.86Å
163D90.6Very high90.8Very high24 Ų2465.3 Ų65.313%0.12832%0.317CS..EExtended strand (participates in β ladder)trans-67.8135.2177.4-73.7-29.1000111.3K166 K172D163-K166 HydrophobicContact CB-CB 4.05Å; D163-K166 HydrophobicContact CB-CD 3.99Å; D163-K166 HydrophobicContact CB-CG 3.89Å; D163-K166 VanDerWaalsContact OD2-CD 3.24Å; D163-K166 WeakPolarHBondContact OD2-CD 3.45Å; D163-K166 WeakPolarHBondContact OD2-CE 3.37Å; D163-K166 IonicContact OD2-NZ 2.78Å; D163-K166 PolarHBondContact OD2-NZ 2.83Å; D163-K172 VanDerWaalsContact CG-NZ 3.31Å; D163-K172 WeakPolarHBondContact OD1-CE 3.24Å; D163-K172 IonicContact OD1-NZ 3.88Å; D163-K172 PolarHBondContact OD1-NZ 2.98Å; D163-K172 IonicContact OD2-NZ 2.94Å; D163-K172 PolarHBondContact OD2-NZ 3.28Å
164R86.6Confident90.8Very high143 Ų14361.7 Ų61.754%0.5430%0.3SS..THydrogen-bonded Turntrans-69.4-36.5176.2-171.8174.3-175.3134.95113Q240 E242 L244R164-Q240 WeakPolarHBondContact CD-O 3.32Å; R164-Q240 PolarHBondContact NH1-O 3.27Å; R164-E242 WeakPolarHBondContact CB-O 3.48Å; R164-E242 PolarHBondContact N-O 3.39Å; R164-L244 HydrophobicContact CB-CB 4.4Å
165N78Confident90.8Very high138 Ų13857.4 Ų57.474%0.73827%0.272SS*.THydrogen-bonded Turntrans-96.513.4-169.9-62.7-36.5000113.7
166K74.4Confident90.7Very high113 Ų11355.2 Ų55.249%0.49126%0.262SS..SBendtrans-106.6142.6177.5-74.1-170.6-1791520112D163 K168D163-K166 HydrophobicContact CB-CB 4.05Å; D163-K166 HydrophobicContact CB-CD 3.99Å; D163-K166 HydrophobicContact CB-CG 3.89Å; D163-K166 VanDerWaalsContact OD2-CD 3.24Å; D163-K166 WeakPolarHBondContact OD2-CD 3.45Å; D163-K166 WeakPolarHBondContact OD2-CE 3.37Å; D163-K166 IonicContact OD2-NZ 2.78Å; D163-K166 PolarHBondContact OD2-NZ 2.83Å; K166-K168 PolarHBondContact O-N 3.12Å
167L57.4Low90.6Very high159 Ų15953.7 Ų53.783%0.83226%0.26SS*.SBendtrans-66.1-17.6-176.6-66.4171.1000114.4M1M1-L167 HydrophobicContact CE-CD1 4.42Å; M1-L167 HydrophobicContact SD-CD1 4.28Å
168K75.1Confident90.6Very high166 Ų16651.2 Ų51.272%0.72225%0.254SS*.SBendtrans-126.4122.9178-67.9-172177.9-174.40109.5K166 M170K166-K168 PolarHBondContact O-N 3.12Å; K168-M170 VanDerWaalsContact C-N 3.27Å; K168-M170 HydrophobicContact CB-CG 4.03Å; K168-M170 PolarHBondContact O-N 3.26Å
169N79.8Confident90.4Very high82 Ų8254.7 Ų54.744%0.43927%0.27SS..  trans-73.779.2176.1-66-23.9000110.1Q162Q162-N169 PolarHBondContact NE2-O 3.1Å
170M93.3Very high90.1Very high57 Ų5760.9 Ų60.928%0.28131%0.311SS..  trans-104.2134.3178.3-63.6-73.3-91.700109.3K168 N259 T260K168-M170 VanDerWaalsContact C-N 3.27Å; K168-M170 HydrophobicContact CB-CG 4.03Å; K168-M170 PolarHBondContact O-N 3.26Å; M170-N259 VanDerWaalsContact SD-C 3.56Å; M170-T260 WeakPolarHBondContact CE-O 3.37Å
171W97Very high89.8Confident19 Ų1965 Ų657%0.07235%0.354CS..BIsolated β-bridgetrans-65.9135.4171.8-65.3111.5000110.7V160 Q162 R245 E247 M249 L254 N259 T260V160-W171 HydrophobicContact CB-CB 4.39Å; V160-W171 HydrophobicContact CB-CD2 4.4Å; V160-W171 HydrophobicContact CB-CE3 3.75Å; V160-W171 HydrophobicContact CB-CZ3 4.45Å; V160-W171 HydrophobicContact CG2-CD2 3.95Å; V160-W171 HydrophobicContact CG2-CE3 3.4Å; V160-W171 VanDerWaalsContact CG2-CE3 3.4Å; V160-W171 HydrophobicContact CG2-CG 4.49Å; V160-W171 HydrophobicContact CG2-CZ3 3.83Å; Q162-W171 HydrophobicContact CG-CD2 3.75Å; Q162-W171 HydrophobicContact CG-CE3 3.51Å; Q162-W171 HydrophobicContact CG-CG 4.45Å; Q162-W171 HydrophobicContact CG-CH2 4.06Å; Q162-W171 HydrophobicContact CG-CZ2 4.29Å; Q162-W171 HydrophobicContact CG-CZ3 3.68Å; Q162-W171 VanDerWaalsContact NE2-CE2 3.3Å; W171-R245 HydrophobicContact CH2-CB 3.8Å; W171-R245 HydrophobicContact CZ3-CB 4.09Å; W171-E247 HydrophobicContact CH2-CB 4.1Å; W171-E247 VanDerWaalsContact CH2-CD 3.42Å; W171-E247 HydrophobicContact CH2-CG 3.84Å; W171-E247 WeakPolarHBondContact CH2-OE1 3.4Å; W171-E247 HydrophobicContact CZ3-CB 4.32Å; W171-E247 HydrophobicContact CZ3-CG 4.4Å; W171-M249 HydrophobicContact CD2-CE 3.66Å; W171-M249 HydrophobicContact CE3-CE 4.4Å; W171-M249 HydrophobicContact CG-CE 3.77Å; W171-M249 HydrophobicContact CZ2-CE 3.95Å; W171-M249 VanDerWaalsContact NE1-CE 3.29Å; W171-L254 HydrophobicContact CB-CD1 4.03Å; W171-N259 VanDerWaalsContact CD1-O 3.29Å; W171-N259 PolarHBondContact N-O 2.88Å; W171-T260 PolarHBondContact O-OG1 2.63Å
172K96.8Very high89.8Confident36 Ų3667.2 Ų67.216%0.15736%0.364CS..BIsolated β-bridgetrans-140.1168.4174.164.5165.3-158.2171.80109.8V160 V161 D163 E195V160-K172 WeakPolarHBondContact CA-O 3.3Å; V161-K172 HydrophobicContact CG2-CD 4.24Å; V161-K172 HydrophobicContact CG2-CG 3.71Å; V161-K172 PolarHBondContact N-O 2.93Å; V161-K172 PolarHBondContact O-N 2.77Å; D163-K172 VanDerWaalsContact CG-NZ 3.31Å; D163-K172 WeakPolarHBondContact OD1-CE 3.24Å; D163-K172 IonicContact OD1-NZ 3.88Å; D163-K172 PolarHBondContact OD1-NZ 2.98Å; D163-K172 IonicContact OD2-NZ 2.94Å; D163-K172 PolarHBondContact OD2-NZ 3.28Å; K172-E195 IonicContact NZ-OE1 2.81Å; K172-E195 IonicContact NZ-OE2 3.66Å
173F98.3Very high89.8Confident8 Ų869.6 Ų69.64%0.03538%0.377CS..  trans-76.7146.5163.9-53.8-52.4000109.6A147 A149 I158 I226 L254 T264 V267A147-F173 HydrophobicContact CB-CB 4.06Å; A149-F173 HydrophobicContact CB-CD1 4.02Å; A149-F173 HydrophobicContact CB-CD2 4.28Å; A149-F173 HydrophobicContact CB-CE1 4.02Å; A149-F173 HydrophobicContact CB-CE2 4.27Å; A149-F173 HydrophobicContact CB-CG 4.17Å; A149-F173 HydrophobicContact CB-CZ 4.15Å; I158-F173 HydrophobicContact CD1-CE1 4.12Å; I158-F173 HydrophobicContact CG1-CD1 4.43Å; I158-F173 HydrophobicContact CG1-CE1 3.82Å; F173-I226 HydrophobicContact CD2-CG2 4.13Å; F173-I226 HydrophobicContact CE2-CG2 4.35Å; F173-L254 HydrophobicContact CE1-CD2 3.87Å; F173-L254 HydrophobicContact CZ-CD2 4.26Å; F173-T264 HydrophobicContact CD2-CG2 4.44Å; F173-T264 HydrophobicContact CE1-CG2 4.24Å; F173-T264 HydrophobicContact CE2-CG2 3.99Å; F173-T264 HydrophobicContact CZ-CG2 3.88Å; F173-V267 HydrophobicContact CE2-CB 3.78Å; F173-V267 HydrophobicContact CE2-CG1 3.58Å; F173-V267 HydrophobicContact CZ-CB 4.19Å; F173-V267 HydrophobicContact CZ-CG1 3.87Å
174P97.8Very high90.2Very high0 Ų069.9 Ų69.90%038%0.378CS..  trans-61.6147.1168.329.4-37.2000110.3A147 G148 V161 V192 E195 T196A147-P174 VanDerWaalsContact CA-O 3.3Å; A147-P174 WeakPolarHBondContact CA-O 3.38Å; G148-P174 PolarHBondContact N-O 2.91Å; G148-P174 WeakPolarHBondContact O-CD 3.4Å; V161-P174 HydrophobicContact CG1-CB 4.37Å; V161-P174 HydrophobicContact CG2-CB 4.43Å; P174-V192 HydrophobicContact CB-CG2 4.38Å; P174-V192 HydrophobicContact CG-CB 4.42Å; P174-V192 HydrophobicContact CG-CG2 3.62Å; P174-E195 HydrophobicContact CB-CB 3.97Å; P174-E195 HydrophobicContact CB-CG 4.35Å; P174-T196 HydrophobicContact CB-CG2 4.04Å; P174-T196 HydrophobicContact CG-CG2 4.15Å
175G97.4Very high90.7Very high11 Ų1163.4 Ų63.411%0.11336%0.356CS..EExtended strand (participates in β ladder)trans165.1149.7-177.400000114.5V146 E195V146-G175 CarbonylContact O-C 3.57Å; V146-G175 WeakPolarHBondContact O-CA 3.34Å; G175-E195 PolarHBondContact N-OE1 2.79Å
176G96.1Very high91.7Very high20 Ų2061.3 Ų61.321%0.20635%0.345CS..EExtended strand (participates in β ladder)trans-147.1-157-177.500000112.2G145 V146 E191G145-G176 CarbonylContact C-O 3.55Å; G145-G176 WeakPolarHBondContact CA-O 3.46Å; V146-G176 PolarHBondContact N-O 3.25Å; V146-G176 PolarHBondContact O-N 3.13Å; V146-G176 VanDerWaalsContact O-N 3.12Å; G176-E191 WeakPolarHBondContact CA-OE1 3.46Å; G176-E191 WeakPolarHBondContact CA-OE2 3.43Å; G176-E191 VanDerWaalsContact N-CD 3.28Å; G176-E191 PolarHBondContact N-OE2 3.03Å
177L96.5Very high92.8Very high55 Ų5556 Ų5629%0.28832%0.321SS..EExtended strand (participates in β ladder)trans-88.8142.9-177-67.4175.8000110.5Q143 R190Q143-L177 HydrophobicContact CB-CD2 4.17Å; L177-R190 PolarHBondContact O-NH2 3.2Å; L177-R190 VanDerWaalsContact O-NH2 3.1Å
178S97.4Very high94.8Very high39 Ų3948.4 Ų48.427%0.27328%0.282SS..PPolyproline II helixtrans-68.2139.4170.862.40000110.8V144V144-S178 PolarHBondContact O-N 2.96Å; V144-S178 PolarHBondContact O-OG 2.82Å
179E95.8Very high95.9Very high72 Ų7242.3 Ų42.334%0.33626%0.258SS..PPolyproline II helixtrans-77.3157170.3-56-161.3150.700111.9R11 G181 E182R11-E179 IonicContact CZ-OE1 2.88Å; R11-E179 IonicContact CZ-OE2 3.41Å; R11-E179 IonicContact NH1-OE2 3.52Å; R11-E179 IonicContact NH2-OE1 3.6Å; R11-E179 PolarHBondContact NH2-OE1 2.81Å; R11-E179 IonicContact NH2-OE2 3.96Å; R11-E179 PolarHBondContact NH2-OE2 2.62Å; E179-G181 PolarHBondContact O-N 2.88Å; E179-G181 VanDerWaalsContact O-N 3.13Å; E179-E182 HydrophobicContact CB-CB 4.04Å; E179-E182 WeakPolarHBondContact CG-OE2 3.48Å; E179-E182 PolarHBondContact N-OE2 2.83Å; E179-E182 WeakPolarHBondContact O-CB 3.27Å; E179-E182 PolarHBondContact O-N 2.9Å
180P93Very high96.8Very high131 Ų13140.6 Ų40.685%0.85125%0.246SC*.THydrogen-bonded Turntrans-56.3120.1175.2-25.835.2000112.2E182P180-E182 VanDerWaalsContact C-N 3.32Å
181G92.3Very high97.1Very high87 Ų8738.8 Ų38.890%0.89724%0.236SC*.THydrogen-bonded Turntrans823.8-179.900000115.1E179E179-G181 PolarHBondContact O-N 2.88Å; E179-G181 VanDerWaalsContact O-N 3.13Å
182E96.5Very high97.1Very high46 Ų4637.9 Ų37.922%0.21523%0.233CC..  trans-83.9137177.4-169.6176.7-141.200111.5E179 P180 D186 T187 R190E179-E182 HydrophobicContact CB-CB 4.04Å; E179-E182 WeakPolarHBondContact CG-OE2 3.48Å; E179-E182 PolarHBondContact N-OE2 2.83Å; E179-E182 WeakPolarHBondContact O-CB 3.27Å; E179-E182 PolarHBondContact O-N 2.9Å; P180-E182 VanDerWaalsContact C-N 3.32Å; E182-D186 HydrophobicContact CG-CB 4.17Å; E182-T187 PolarHBondContact OE2-OG1 2.86Å; E182-R190 IonicContact OE1-CZ 3.54Å; E182-R190 IonicContact OE1-NE 2.72Å; E182-R190 PolarHBondContact OE1-NE 3.24Å; E182-R190 IonicContact OE1-NH2 2.61Å; E182-R190 IonicContact OE2-CZ 3.79Å; E182-R190 IonicContact OE2-NE 3.5Å; E182-R190 PolarHBondContact OE2-NE 2.78Å; E182-R190 IonicContact OE2-NH2 2.7Å; E182-R190 PolarHBondContact OE2-NH2 3.32Å
183D96.4Very high97.2Very high56 Ų5641.1 Ų41.130%0.29925%0.247SC..  trans-71.7152.6175.7-77.5-29.9000111.8G185 D186 T187 K299D183-G185 VanDerWaalsContact C-N 3.33Å; D183-G185 PolarHBondContact O-N 2.87Å; D183-D186 HydrophobicContact CB-CB 4.24Å; D183-D186 PolarHBondContact O-N 3.41Å; D183-T187 WeakPolarHBondContact O-CB 3.35Å; D183-T187 PolarHBondContact O-N 3.43Å; D183-T187 PolarHBondContact O-OG1 3.09Å; D183-K299 WeakPolarHBondContact OD1-CD 3.42Å; D183-K299 WeakPolarHBondContact OD1-CE 3.47Å; D183-K299 IonicContact OD1-NZ 2.65Å; D183-K299 WeakPolarHBondContact OD2-CE 3.4Å; D183-K299 IonicContact OD2-NZ 3.56Å; D183-K299 PolarHBondContact OD2-NZ 3.44Å
184I98Very high97.2Very high30 Ų3045.4 Ų45.415%0.15427%0.268CS..Hα-helixtrans-59.7-44.4179.8-65.7162.3000111.3V146 T187 A188 L205 I225 Y301V146-I184 HydrophobicContact CG1-CG2 3.78Å; V146-I184 HydrophobicContact CG2-CG2 3.97Å; I184-T187 WeakPolarHBondContact O-CB 3.36Å; I184-T187 PolarHBondContact O-N 3.37Å; I184-A188 PolarHBondContact O-N 2.95Å; I184-L205 HydrophobicContact CG2-CD2 3.74Å; I184-I225 HydrophobicContact CD1-CD1 3.41Å; I184-I225 VanDerWaalsContact CD1-CD1 3.41Å; I184-I225 HydrophobicContact CG1-CD1 3.89Å; I184-I225 HydrophobicContact CG2-CB 4.23Å; I184-I225 HydrophobicContact CG2-CD1 4.24Å; I184-I225 HydrophobicContact CG2-CG2 3.83Å; I184-Y301 HydrophobicContact CD1-CD2 4.46Å; I184-Y301 HydrophobicContact CD1-CE2 3.67Å
185G97.7Very high97.2Very high7 Ų745.6 Ų45.67%0.07227%0.268CS..Hα-helixtrans-63.8-41.2178.600000112.7D183 A188 V189 F202D183-G185 VanDerWaalsContact C-N 3.33Å; D183-G185 PolarHBondContact O-N 2.87Å; G185-A188 PolarHBondContact O-N 3.11Å; G185-V189 WeakPolarHBondContact O-CG2 3.49Å; G185-V189 PolarHBondContact O-N 2.91Å; G185-F202 VanDerWaalsContact CA-CD2 3.4Å
186D98.3Very high97.3Very high94 Ų9445.1 Ų45.150%0.50326%0.263SS..Hα-helixtrans-67-42.1178-66.5-20.2000111.2E182 D183 A188 V189 R190E182-D186 HydrophobicContact CG-CB 4.17Å; D183-D186 HydrophobicContact CB-CB 4.24Å; D183-D186 PolarHBondContact O-N 3.41Å; D186-A188 VanDerWaalsContact C-N 3.32Å; D186-A188 PolarHBondContact O-N 3.16Å; D186-V189 PolarHBondContact O-N 3.47Å; D186-R190 WeakPolarHBondContact O-CB 3.48Å; D186-R190 PolarHBondContact O-N 2.96Å
187T98.6Very high97.4Very high0 Ų045 Ų450%026%0.262CS..Hα-helixtrans-55-49.5172.4-52.30000110.2V146 E182 D183 I184 V189 R190 E191V146-T187 HydrophobicContact CB-CG2 3.69Å; V146-T187 HydrophobicContact CG2-CG2 3.68Å; E182-T187 PolarHBondContact OE2-OG1 2.86Å; D183-T187 WeakPolarHBondContact O-CB 3.35Å; D183-T187 PolarHBondContact O-N 3.43Å; D183-T187 PolarHBondContact O-OG1 3.09Å; I184-T187 WeakPolarHBondContact O-CB 3.36Å; I184-T187 PolarHBondContact O-N 3.37Å; T187-V189 VanDerWaalsContact C-N 3.34Å; T187-V189 PolarHBondContact O-N 3.13Å; T187-R190 PolarHBondContact O-N 3.24Å; T187-E191 HydrophobicContact CG2-CG 4.15Å; T187-E191 WeakPolarHBondContact O-CB 3.47Å; T187-E191 WeakPolarHBondContact O-CG 3.41Å; T187-E191 PolarHBondContact O-N 3.25Å
188A98.7Very high97.5Very high0 Ų042.3 Ų42.30%025%0.248CC..Hα-helixtrans-61-41.5-179.500000112.5V146 I184 G185 D186 V192 C227 L229V146-A188 HydrophobicContact CG1-CB 3.71Å; I184-A188 PolarHBondContact O-N 2.95Å; G185-A188 PolarHBondContact O-N 3.11Å; D186-A188 VanDerWaalsContact C-N 3.32Å; D186-A188 PolarHBondContact O-N 3.16Å; A188-V192 WeakPolarHBondContact O-CB 3.27Å; A188-V192 WeakPolarHBondContact O-CG2 3.27Å; A188-V192 PolarHBondContact O-N 3.44Å; A188-V192 VanDerWaalsContact O-N 3.15Å; A188-C227 HydrophobicContact CB-CB 3.9Å; A188-L229 HydrophobicContact CB-CD1 4.11Å; A188-L229 HydrophobicContact CB-CD2 4.13Å
189V98.8Very high97.5Very high38 Ų3845.3 Ų45.323%0.2326%0.256CS..Hα-helixtrans-69.4-43.8179.2170.80000111.4G185 D186 T187 F193 S200 F202 L229G185-V189 WeakPolarHBondContact O-CG2 3.49Å; G185-V189 PolarHBondContact O-N 2.91Å; D186-V189 PolarHBondContact O-N 3.47Å; T187-V189 VanDerWaalsContact C-N 3.34Å; T187-V189 PolarHBondContact O-N 3.13Å; V189-F193 WeakPolarHBondContact O-CB 3.37Å; V189-F193 PolarHBondContact O-N 2.7Å; V189-S200 WeakPolarHBondContact CG1-O 3.46Å; V189-F202 HydrophobicContact CG2-CB 4.49Å; V189-L229 HydrophobicContact CG2-CD2 4.04Å
190R98.7Very high97.7Very high46 Ų4642 Ų4217%0.17424%0.241CC..Hα-helixtrans-60.2-53.3177176.6-179.85568.90.4110.9L177 E182 D186 T187 V192 F193 E194L177-R190 PolarHBondContact O-NH2 3.2Å; L177-R190 VanDerWaalsContact O-NH2 3.1Å; E182-R190 IonicContact OE1-CZ 3.54Å; E182-R190 IonicContact OE1-NE 2.72Å; E182-R190 PolarHBondContact OE1-NE 3.24Å; E182-R190 IonicContact OE1-NH2 2.61Å; E182-R190 IonicContact OE2-CZ 3.79Å; E182-R190 IonicContact OE2-NE 3.5Å; E182-R190 PolarHBondContact OE2-NE 2.78Å; E182-R190 IonicContact OE2-NH2 2.7Å; E182-R190 PolarHBondContact OE2-NH2 3.32Å; D186-R190 WeakPolarHBondContact O-CB 3.48Å; D186-R190 PolarHBondContact O-N 2.96Å; T187-R190 PolarHBondContact O-N 3.24Å; R190-V192 VanDerWaalsContact C-N 3.33Å; R190-V192 PolarHBondContact O-N 3.23Å; R190-F193 WeakPolarHBondContact O-CB 3.35Å; R190-F193 PolarHBondContact O-N 2.9Å; R190-E194 WeakPolarHBondContact CD-OE1 3.03Å; R190-E194 VanDerWaalsContact CG-CD 3.49Å; R190-E194 HydrophobicContact CG-CG 4.18Å; R190-E194 VanDerWaalsContact CG-OE1 3.27Å; R190-E194 WeakPolarHBondContact CG-OE1 3.13Å; R190-E194 IonicContact NH1-OE1 2.63Å; R190-E194 IonicContact NH1-OE2 3.26Å; R190-E194 PolarHBondContact NH1-OE2 2.91Å; R190-E194 WeakPolarHBondContact O-CG 2.98Å; R190-E194 PolarHBondContact O-N 2.86Å
191E98.6Very high98Very high19 Ų1938.8 Ų38.89%0.08921%0.214CC..Hα-helixtrans-61.2-40.5-177.6-68.4-72.2170.900112.1G176 T187 F193 E194 E195G176-E191 WeakPolarHBondContact CA-OE1 3.46Å; G176-E191 WeakPolarHBondContact CA-OE2 3.43Å; G176-E191 VanDerWaalsContact N-CD 3.28Å; G176-E191 PolarHBondContact N-OE2 3.03Å; T187-E191 HydrophobicContact CG2-CG 4.15Å; T187-E191 WeakPolarHBondContact O-CB 3.47Å; T187-E191 WeakPolarHBondContact O-CG 3.41Å; T187-E191 PolarHBondContact O-N 3.25Å; E191-F193 VanDerWaalsContact C-N 3.33Å; E191-F193 PolarHBondContact O-N 3.5Å; E191-E194 PolarHBondContact O-N 2.98Å; E191-E195 WeakPolarHBondContact O-CB 3.24Å; E191-E195 PolarHBondContact O-N 2.8Å
192V98.7Very high98.3Very high0 Ų037.1 Ų37.10%018%0.182CC..Hα-helixtrans-58.9-47.3172.6163.80000111.1V150 L159 P174 A188 R190 T196 I198 L229V150-V192 HydrophobicContact CG2-CB 4.25Å; V150-V192 HydrophobicContact CG2-CG1 3.58Å; V150-V192 HydrophobicContact CG2-CG2 3.56Å; L159-V192 HydrophobicContact CD2-CG1 4.27Å; P174-V192 HydrophobicContact CB-CG2 4.38Å; P174-V192 HydrophobicContact CG-CB 4.42Å; P174-V192 HydrophobicContact CG-CG2 3.62Å; A188-V192 WeakPolarHBondContact O-CB 3.27Å; A188-V192 WeakPolarHBondContact O-CG2 3.27Å; A188-V192 PolarHBondContact O-N 3.44Å; A188-V192 VanDerWaalsContact O-N 3.15Å; R190-V192 VanDerWaalsContact C-N 3.33Å; R190-V192 PolarHBondContact O-N 3.23Å; V192-T196 WeakPolarHBondContact O-CB 3.22Å; V192-T196 PolarHBondContact O-N 2.72Å; V192-T196 PolarHBondContact O-OG1 2.93Å; V192-I198 HydrophobicContact CG1-CB 4.22Å; V192-I198 HydrophobicContact CG1-CG2 4.48Å; V192-L229 HydrophobicContact CB-CD1 4.41Å; V192-L229 HydrophobicContact CG2-CD1 3.56Å
193F98.7Very high98.3Very high104 Ų10439.8 Ų39.846%0.45619%0.191SC..Hα-helixtrans-66.1-43.3-178.2-178.1-106.4000111.6V189 R190 E191 G197 K199V189-F193 WeakPolarHBondContact O-CB 3.37Å; V189-F193 PolarHBondContact O-N 2.7Å; R190-F193 WeakPolarHBondContact O-CB 3.35Å; R190-F193 PolarHBondContact O-N 2.9Å; E191-F193 VanDerWaalsContact C-N 3.33Å; E191-F193 PolarHBondContact O-N 3.5Å; F193-G197 VanDerWaalsContact O-CA 3.26Å; F193-G197 WeakPolarHBondContact O-CA 3.38Å; F193-G197 PolarHBondContact O-N 2.61Å; F193-K199 HydrophobicContact CD2-CG 4.02Å; F193-K199 HydrophobicContact CE2-CG 4.02Å
194E97.9Very high98.4Very high99 Ų9937.1 Ų37.146%0.46318%0.176SC..Hα-helixtrans-62.7-46.2178.5-72.9174.7170.400112.2R190 E191R190-E194 WeakPolarHBondContact CD-OE1 3.03Å; R190-E194 VanDerWaalsContact CG-CD 3.49Å; R190-E194 HydrophobicContact CG-CG 4.18Å; R190-E194 VanDerWaalsContact CG-OE1 3.27Å; R190-E194 WeakPolarHBondContact CG-OE1 3.13Å; R190-E194 IonicContact NH1-OE1 2.63Å; R190-E194 IonicContact NH1-OE2 3.26Å; R190-E194 PolarHBondContact NH1-OE2 2.91Å; R190-E194 WeakPolarHBondContact O-CG 2.98Å; R190-E194 PolarHBondContact O-N 2.86Å; E191-E194 PolarHBondContact O-N 2.98Å
195E97.6Very high98.4Very high4 Ų435.8 Ų35.82%0.01917%0.17CC..Hα-helixtrans-76.1-33.5-178.5-75.6-164.7-132.800113K172 P174 G175 E191 F238 C239K172-E195 IonicContact NZ-OE1 2.81Å; K172-E195 IonicContact NZ-OE2 3.66Å; P174-E195 HydrophobicContact CB-CB 3.97Å; P174-E195 HydrophobicContact CB-CG 4.35Å; G175-E195 PolarHBondContact N-OE1 2.79Å; E191-E195 WeakPolarHBondContact O-CB 3.24Å; E191-E195 PolarHBondContact O-N 2.8Å; E195-F238 CarbonylContact O-C 3.57Å; E195-F238 WeakPolarHBondContact O-CA 3.35Å; E195-F238 VanDerWaalsContact O-CB 3.29Å; E195-F238 WeakPolarHBondContact O-CB 3.44Å; E195-C239 PolarHBondContact O-N 3.04Å
196T98.3Very high98.5Very high0 Ų036 Ų360%017%0.169CC..Hα-helixtrans-124.9-15.9-163.876.40000115.6L159 V161 P174 V192 I198 N237L159-T196 HydrophobicContact CD2-CG2 3.78Å; L159-T196 WeakPolarHBondContact CD2-OG1 3.19Å; L159-T196 HydrophobicContact CG-CG2 4.3Å; V161-T196 HydrophobicContact CG1-CG2 3.72Å; P174-T196 HydrophobicContact CB-CG2 4.04Å; P174-T196 HydrophobicContact CG-CG2 4.15Å; V192-T196 WeakPolarHBondContact O-CB 3.22Å; V192-T196 PolarHBondContact O-N 2.72Å; V192-T196 PolarHBondContact O-OG1 2.93Å; T196-I198 PolarHBondContact O-N 2.73Å; T196-I198 WeakPolarHBondContact OG1-CB 3.3Å; T196-I198 PolarHBondContact OG1-N 2.87Å; T196-I198 VanDerWaalsContact OG1-N 3.13Å; T196-N237 CarbonylContact C-O 3.51Å; T196-N237 VanDerWaalsContact C-O 3.3Å; T196-N237 CarbonylContact O-C 3.49Å; T196-N237 VanDerWaalsContact O-C 3.29Å; T196-N237 PolarHBondContact O-N 3.17Å
197G98.4Very high98.5Very high17 Ų1733.7 Ų33.718%0.17516%0.16CC..  trans72.1-0.4-170.800000114.7F193 N237F193-G197 VanDerWaalsContact O-CA 3.26Å; F193-G197 WeakPolarHBondContact O-CA 3.38Å; F193-G197 PolarHBondContact O-N 2.61Å; G197-N237 PolarHBondContact N-O 2.88Å
198I98.8Very high98.4Very high0 Ų038 Ų380%018%0.183CC..  trans-78.2132.2179.3-62.7-59.5000110.2V150 L159 V192 T196 P231 I236 W248V150-I198 HydrophobicContact CG1-CG2 4.32Å; L159-I198 HydrophobicContact CD1-CG1 4.16Å; L159-I198 HydrophobicContact CD2-CB 3.9Å; L159-I198 HydrophobicContact CD2-CG1 3.73Å; L159-I198 HydrophobicContact CD2-CG2 4.27Å; V192-I198 HydrophobicContact CG1-CB 4.22Å; V192-I198 HydrophobicContact CG1-CG2 4.48Å; T196-I198 PolarHBondContact O-N 2.73Å; T196-I198 WeakPolarHBondContact OG1-CB 3.3Å; T196-I198 PolarHBondContact OG1-N 2.87Å; T196-I198 VanDerWaalsContact OG1-N 3.13Å; I198-P231 HydrophobicContact CG2-CB 4.27Å; I198-I236 HydrophobicContact CD1-CG1 3.99Å; I198-I236 HydrophobicContact CG1-CG1 4.27Å; I198-W248 HydrophobicContact CD1-CZ2 4.03Å; I198-W248 HydrophobicContact CG1-CZ2 4.14Å; I198-W248 HydrophobicContact CG2-CH2 4.45Å; I198-W248 HydrophobicContact CG2-CZ2 4.16Å
199K98.8Very high98.3Very high102 Ų10241.7 Ų41.744%0.44320%0.196SC..  trans-91.9129.9172.2-57.2-173.9179.2-179.50109.2F193 Y232 S233F193-K199 HydrophobicContact CD2-CG 4.02Å; F193-K199 HydrophobicContact CE2-CG 4.02Å; K199-Y232 HydrophobicContact CB-CD2 3.89Å; K199-Y232 HydrophobicContact CB-CE1 4.06Å; K199-Y232 HydrophobicContact CB-CE2 3.29Å; K199-Y232 HydrophobicContact CB-CG 4.49Å; K199-Y232 HydrophobicContact CD-CE2 3.71Å; K199-Y232 HydrophobicContact CG-CE2 4.15Å; K199-Y232 PolarHBondContact O-N 3.3Å; K199-S233 PolarHBondContact N-OG 3.01Å; K199-S233 PolarHBondContact O-N 3.23Å
200S98.8Very high98.1Very high3 Ų345.4 Ų45.42%0.02121%0.211CC..EExtended strand (participates in β ladder)trans-143.5165.2-175.165.40000111.4V189 K230 Y232V189-S200 WeakPolarHBondContact CG1-O 3.46Å; S200-K230 CarbonylContact C-O 3.45Å; S200-K230 WeakPolarHBondContact CA-O 3.28Å; S200-K230 WeakPolarHBondContact CB-O 3.41Å; S200-Y232 VanDerWaalsContact C-CE1 3.46Å; S200-Y232 WeakPolarHBondContact O-CE1 3.46Å
201E98.6Very high97.8Very high63 Ų6347 Ų4729%0.29422%0.221SC..EExtended strand (participates in β ladder)trans-122.1141.6177.766.8-168.9149.500110.4R203 L229 K230E201-R203 IonicContact OE1-CZ 3.28Å; E201-R203 VanDerWaalsContact OE1-CZ 3.28Å; E201-R203 IonicContact OE1-NE 2.75Å; E201-R203 PolarHBondContact OE1-NE 2.92Å; E201-R203 IonicContact OE1-NH2 2.62Å; E201-R203 PolarHBondContact OE1-NH2 3.07Å; E201-R203 IonicContact OE2-CZ 3.29Å; E201-R203 VanDerWaalsContact OE2-CZ 3.29Å; E201-R203 IonicContact OE2-NE 2.73Å; E201-R203 IonicContact OE2-NH1 3.8Å; E201-R203 IonicContact OE2-NH2 2.9Å; E201-R203 PolarHBondContact OE2-NH2 2.93Å; E201-L229 VanDerWaalsContact O-CA 3.28Å; E201-L229 WeakPolarHBondContact O-CA 3.48Å; E201-K230 HydrophobicContact CG-CB 3.82Å; E201-K230 HydrophobicContact CG-CG 4.48Å; E201-K230 PolarHBondContact N-O 3.2Å; E201-K230 PolarHBondContact O-N 3.02Å; E201-K230 VanDerWaalsContact OE1-CD 3.24Å; E201-K230 WeakPolarHBondContact OE1-CD 3.33Å; E201-K230 WeakPolarHBondContact OE1-CG 3.38Å
202F98.5Very high97.6Very high51 Ų5151.2 Ų51.222%0.22424%0.24CC..EExtended strand (participates in β ladder)trans-65.8133.2175.2178.5-98.5000111.8G185 V189 S204 L205 C227 L229 V286 Y301G185-F202 VanDerWaalsContact CA-CD2 3.4Å; V189-F202 HydrophobicContact CG2-CB 4.49Å; F202-S204 VanDerWaalsContact CE2-O 3.31Å; F202-S204 WeakPolarHBondContact CE2-O 3.43Å; F202-S204 VanDerWaalsContact CZ-C 3.41Å; F202-L205 HydrophobicContact CE2-CD2 3.92Å; F202-L205 HydrophobicContact CZ-CD2 4.06Å; F202-L205 HydrophobicContact CZ-CG 4.44Å; F202-C227 HydrophobicContact CD2-CB 3.99Å; F202-C227 HydrophobicContact CE2-CB 3.78Å; F202-L229 VanDerWaalsContact CA-CD2 3.48Å; F202-L229 HydrophobicContact CB-CD2 4.09Å; F202-L229 HydrophobicContact CD2-CD2 4.08Å; F202-V286 HydrophobicContact CE1-CG1 3.98Å; F202-Y301 HydrophobicContact CZ-CE1 4.43Å
203R97.9Very high97.2Very high102 Ų10256.3 Ų56.339%0.38527%0.271SS..EExtended strand (participates in β ladder)trans-116.4-49.1176.1-63.5-57.5-172178.71.1112.9E201 R228 K230E201-R203 IonicContact OE1-CZ 3.28Å; E201-R203 VanDerWaalsContact OE1-CZ 3.28Å; E201-R203 IonicContact OE1-NE 2.75Å; E201-R203 PolarHBondContact OE1-NE 2.92Å; E201-R203 IonicContact OE1-NH2 2.62Å; E201-R203 PolarHBondContact OE1-NH2 3.07Å; E201-R203 IonicContact OE2-CZ 3.29Å; E201-R203 VanDerWaalsContact OE2-CZ 3.29Å; E201-R203 IonicContact OE2-NE 2.73Å; E201-R203 IonicContact OE2-NH1 3.8Å; E201-R203 IonicContact OE2-NH2 2.9Å; E201-R203 PolarHBondContact OE2-NH2 2.93Å; R203-R228 WeakPolarHBondContact CB-O 3.29Å; R203-R228 PolarHBondContact N-O 2.82Å; R203-K230 HydrophobicContact CG-CB 3.85Å
204S98.2Very high96.3Very high0 Ų052.5 Ų52.50%026%0.256CS..EExtended strand (participates in β ladder)trans-162.9166.6-176.565.70000112.3F202 C227 R228 D283F202-S204 VanDerWaalsContact CE2-O 3.31Å; F202-S204 WeakPolarHBondContact CE2-O 3.43Å; F202-S204 VanDerWaalsContact CZ-C 3.41Å; S204-C227 CarbonylContact O-C 3.57Å; S204-C227 VanDerWaalsContact O-CA 3.24Å; S204-C227 WeakPolarHBondContact O-CA 3.28Å; S204-R228 PolarHBondContact N-O 3.27Å; S204-R228 PolarHBondContact O-N 3.43Å; S204-R228 WeakPolarHBondContact OG-CB 3.24Å; S204-D283 VanDerWaalsContact CB-OD1 3.32Å; S204-D283 WeakPolarHBondContact CB-OD1 3.15Å; S204-D283 PolarHBondContact OG-OD1 3.23Å
205L98.3Very high95.6Very high3 Ų352.6 Ų52.62%0.01627%0.265CS..EExtended strand (participates in β ladder)trans-83.7142.2156.2-59-169.7000110.1I184 F202 I225 C227 L284 Y301I184-L205 HydrophobicContact CG2-CD2 3.74Å; F202-L205 HydrophobicContact CE2-CD2 3.92Å; F202-L205 HydrophobicContact CZ-CD2 4.06Å; F202-L205 HydrophobicContact CZ-CG 4.44Å; L205-I225 HydrophobicContact CD1-CG2 3.76Å; L205-I225 HydrophobicContact CD2-CG2 3.45Å; L205-I225 VanDerWaalsContact CD2-CG2 3.45Å; L205-I225 HydrophobicContact CG-CG2 4.14Å; L205-C227 HydrophobicContact CD2-CB 4.41Å; L205-C227 WeakPolarHBondContact CD2-SG 3.45Å; L205-L284 HydrophobicContact CB-CB 4.06Å; L205-L284 HydrophobicContact CB-CD1 4.47Å; L205-L284 PolarHBondContact N-O 2.9Å; L205-L284 WeakPolarHBondContact O-CB 2.96Å; L205-L284 PolarHBondContact O-N 3.09Å; L205-Y301 HydrophobicContact CD1-CD1 3.22Å; L205-Y301 HydrophobicContact CD1-CD2 4.23Å; L205-Y301 HydrophobicContact CD1-CE1 3.67Å; L205-Y301 HydrophobicContact CD1-CG 3.51Å; L205-Y301 HydrophobicContact CD2-CD1 4.4Å; L205-Y301 HydrophobicContact CD2-CE1 4.21Å; L205-Y301 HydrophobicContact CG-CD1 3.44Å; L205-Y301 VanDerWaalsContact CG-CD1 3.44Å; L205-Y301 HydrophobicContact CG-CE1 3.73Å; L205-Y301 HydrophobicContact CG-CG 4.24Å
206L98.6Very high94.8Very high11 Ų1153.2 Ų53.26%0.05827%0.273CS..EExtended strand (participates in β ladder)trans-106.9-40.9175-66.1175.3000111.9A149 I226 R228 V267 L270 L271 I282A149-L206 HydrophobicContact CB-CD1 4.2Å; L206-I226 WeakPolarHBondContact CB-O 3.49Å; L206-I226 PolarHBondContact N-O 2.95Å; L206-R228 HydrophobicContact CD1-CB 3.86Å; L206-R228 HydrophobicContact CD1-CG 4.46Å; L206-R228 HydrophobicContact CD2-CB 3.97Å; L206-R228 HydrophobicContact CG-CB 3.83Å; L206-V267 HydrophobicContact CD1-CG1 3.99Å; L206-L270 HydrophobicContact CB-CD2 4.29Å; L206-L271 HydrophobicContact CD1-CD1 4.33Å; L206-L271 HydrophobicContact CD1-CD2 3.81Å; L206-L271 HydrophobicContact CD1-CG 4.01Å; L206-L271 HydrophobicContact CD2-CD2 4.48Å; L206-I282 HydrophobicContact CD2-CD1 3.71Å; L206-I282 HydrophobicContact CD2-CG1 3.98Å
207S98.2Very high94.1Very high45 Ų4553.4 Ų53.432%0.31527%0.274SS..EExtended strand (participates in β ladder)trans-160157.5-171.5-155.50000112.6I226S207-I226 PolarHBondContact N-O 3.19Å; S207-I226 PolarHBondContact O-N 3.1Å
208I98.1Very high93.5Very high92 Ų9261.6 Ų61.647%0.47231%0.305SS..EExtended strand (participates in β ladder)trans-127.9127.5175.6-58.1164.4000107.1M223I208-M223 HydrophobicContact CG2-CE 3.94Å
209R95.6Very high93Very high76 Ų7663.5 Ų63.529%0.28733%0.325SS..EExtended strand (participates in β ladder)trans-108.9138.5172.3176.5-16383.3-170.2-0.1108.6D222 M223 Y224 I263R209-D222 IonicContact CZ-OD2 2.78Å; R209-D222 IonicContact NE-OD2 3.53Å; R209-D222 IonicContact NH2-OD2 3.67Å; R209-D222 PolarHBondContact NH2-OD2 3.03Å; R209-M223 CarbonylContact O-C 3.57Å; R209-M223 WeakPolarHBondContact O-CA 3.41Å; R209-Y224 PolarHBondContact N-O 2.97Å; R209-Y224 PolarHBondContact O-N 3.11Å; R209-I263 VanDerWaalsContact CD-CD1 3.46Å; R209-I263 HydrophobicContact CG-CD1 4.06Å
210Q95.6Very high92.6Very high116 Ų11664.5 Ų64.554%0.54233%0.329SS..EExtended strand (participates in β ladder)trans-120140.7171.4-170.1177.424.300110.4H142 H212 D222H142-Q210 PolarHBondContact NE2-NE2 3.25Å; Q210-H212 PolarHBondContact NE2-CE1 2.56Å; Q210-D222 WeakPolarHBondContact CA-O 3.32Å
211Q92.4Very high92.3Very high81 Ų8165.4 Ų65.438%0.37934%0.335SS..EExtended strand (participates in β ladder)trans-136.9148.2171.8177.4179.2-26.100110.1S221 D222Q211-S221 CarbonylContact O-C 3.52Å; Q211-S221 VanDerWaalsContact O-CA 3.28Å; Q211-S221 WeakPolarHBondContact O-CA 3.31Å; Q211-S221 WeakPolarHBondContact O-CB 3.45Å; Q211-D222 HydrophobicContact CB-CB 4.49Å; Q211-D222 PolarHBondContact N-O 3.42Å; Q211-D222 PolarHBondContact O-N 3.4Å
212H93.9Very high92Very high106 Ų10662.7 Ų62.749%0.49132%0.323SS..SBendtrans-112.4160.9173.5-58.1-52.3000111.7Q210 N214 S221Q210-H212 PolarHBondContact NE2-CE1 2.56Å; H212-N214 VanDerWaalsContact C-N 3.26Å; H212-N214 PolarHBondContact O-N 3.19Å; H212-S221 PolarHBondContact ND1-OG 3.1Å
213T89.4Confident91.9Very high107 Ų10763.3 Ų63.366%0.65633%0.327SS*.SBendtrans5641.3172.3-39.10000112.1P215T213-P215 VanDerWaalsContact O-CD 3.22Å; T213-P215 WeakPolarHBondContact O-CD 3.41Å
214N81.2Confident91.8Very high24 Ų2460.3 Ų60.313%0.12832%0.316CS..  trans-70.2117.6-179.6178.95.5000109.5H212 G216 A217 F218 G219 K220H212-N214 VanDerWaalsContact C-N 3.26Å; H212-N214 PolarHBondContact O-N 3.19Å; N214-G216 PolarHBondContact O-N 3.1Å; N214-G216 PolarHBondContact OD1-N 3.42Å; N214-A217 HydrophobicContact CB-CB 3.98Å; N214-A217 CarbonylContact O-C 3.54Å; N214-A217 PolarHBondContact O-N 2.95Å; N214-F218 PolarHBondContact O-N 2.84Å; N214-G219 PolarHBondContact O-N 2.83Å; N214-K220 PolarHBondContact N-O 2.78Å; N214-K220 VanDerWaalsContact N-O 3.09Å
215P82.5Confident91.8Very high102 Ų10260.9 Ų60.966%0.66232%0.319SS*.G310 helixtrans-60.7-32.1179.9-23.535000112.9T213 A217 F218T213-P215 VanDerWaalsContact O-CD 3.22Å; T213-P215 WeakPolarHBondContact O-CD 3.41Å; P215-A217 PolarHBondContact O-N 2.8Å; P215-F218 PolarHBondContact O-N 3.18Å
216G79.9Confident91.8Very high17 Ų1760.9 Ų60.918%0.17532%0.319CS..G310 helixtrans-72.3-16176.400000114N214N214-G216 PolarHBondContact O-N 3.1Å; N214-G216 PolarHBondContact OD1-N 3.42Å
217A83.7Confident91.9Very high3 Ų360.4 Ų60.43%0.02532%0.316CS..G310 helixtrans-11228.3177.500000111.7Q143 N214 P215 G219 K220Q143-A217 VanDerWaalsContact OE1-CB 3.22Å; N214-A217 HydrophobicContact CB-CB 3.98Å; N214-A217 CarbonylContact O-C 3.54Å; N214-A217 PolarHBondContact O-N 2.95Å; P215-A217 PolarHBondContact O-N 2.8Å; A217-G219 VanDerWaalsContact C-N 3.25Å; A217-G219 PolarHBondContact O-N 2.85Å; A217-K220 HydrophobicContact CB-CB 4.31Å; A217-K220 WeakPolarHBondContact O-CB 3.41Å; A217-K220 VanDerWaalsContact O-CG 3.26Å; A217-K220 WeakPolarHBondContact O-CG 3.44Å; A217-K220 PolarHBondContact O-N 3.38Å
218F87.3Confident91.9Very high190 Ų19059 Ų5983%0.83330%0.304SS*.THydrogen-bonded Turntrans55.537.2178.4-51.2-83.3000113.8N214 P215 K220N214-F218 PolarHBondContact O-N 2.84Å; P215-F218 PolarHBondContact O-N 3.18Å; F218-K220 PolarHBondContact O-N 2.89Å
219G87.9Confident91.9Very high40 Ų4054.7 Ų54.741%0.41228%0.282SS..THydrogen-bonded Turntrans78.14.2-178.400000114.4N214 A217N214-G219 PolarHBondContact O-N 2.83Å; A217-G219 VanDerWaalsContact C-N 3.25Å; A217-G219 PolarHBondContact O-N 2.85Å
220K89.9Confident92.1Very high123 Ų12355.2 Ų55.254%0.53529%0.286SS..  trans-75.9166.4172.1-57.3-61.1-178.3178.60111.6N214 A217 F218N214-K220 PolarHBondContact N-O 2.78Å; N214-K220 VanDerWaalsContact N-O 3.09Å; A217-K220 HydrophobicContact CB-CB 4.31Å; A217-K220 WeakPolarHBondContact O-CB 3.41Å; A217-K220 VanDerWaalsContact O-CG 3.26Å; A217-K220 WeakPolarHBondContact O-CG 3.44Å; A217-K220 PolarHBondContact O-N 3.38Å; F218-K220 PolarHBondContact O-N 2.89Å
221S93.3Very high92.2Very high21 Ų2150.1 Ų50.115%0.14726%0.263CS..EExtended strand (participates in β ladder)trans-81158.2177.2-60.30000111.2S141 H142 Q143 Q211 H212S141-S221 PolarHBondContact O-N 2.76Å; H142-S221 VanDerWaalsContact CA-O 3.32Å; H142-S221 WeakPolarHBondContact CA-O 3.44Å; H142-S221 WeakPolarHBondContact CD2-CB 3.33Å; H142-S221 WeakPolarHBondContact NE2-CB 3.23Å; Q143-S221 PolarHBondContact N-O 2.88Å; Q143-S221 VanDerWaalsContact N-O 3.1Å; Q211-S221 CarbonylContact O-C 3.52Å; Q211-S221 VanDerWaalsContact O-CA 3.28Å; Q211-S221 WeakPolarHBondContact O-CA 3.31Å; Q211-S221 WeakPolarHBondContact O-CB 3.45Å; H212-S221 PolarHBondContact ND1-OG 3.1Å
222D92.6Very high92.5Very high7 Ų753 Ų534%0.03727%0.272CS..EExtended strand (participates in β ladder)trans-125.6136.1176.2167.469000109R209 Q210 Q211R209-D222 IonicContact CZ-OD2 2.78Å; R209-D222 IonicContact NE-OD2 3.53Å; R209-D222 IonicContact NH2-OD2 3.67Å; R209-D222 PolarHBondContact NH2-OD2 3.03Å; Q210-D222 WeakPolarHBondContact CA-O 3.32Å; Q211-D222 HydrophobicContact CB-CB 4.49Å; Q211-D222 PolarHBondContact N-O 3.42Å; Q211-D222 PolarHBondContact O-N 3.4Å
223M95.9Very high92.8Very high64 Ų6449.4 Ų49.432%0.31526%0.259SS..EExtended strand (participates in β ladder)trans-114.3123.3163.7-76.8-177.868.200108.3Q143 V144 G145 I208 R209Q143-M223 PolarHBondContact O-N 3.18Å; V144-M223 CarbonylContact C-O 3.57Å; V144-M223 VanDerWaalsContact CA-O 3.31Å; V144-M223 WeakPolarHBondContact CA-O 3.19Å; G145-M223 PolarHBondContact N-O 2.76Å; I208-M223 HydrophobicContact CG2-CE 3.94Å; R209-M223 CarbonylContact O-C 3.57Å; R209-M223 WeakPolarHBondContact O-CA 3.41Å
224Y95.9Very high93.2Very high39 Ų3949.4 Ų49.415%0.15325%0.25CC..EExtended strand (participates in β ladder)trans-118.7115.7-178.8-162.7-98.5000110.3G145 A147 R209 I226G145-Y224 CarbonylContact O-C 3.59Å; G145-Y224 VanDerWaalsContact O-CA 3.28Å; G145-Y224 WeakPolarHBondContact O-CA 3.34Å; A147-Y224 HydrophobicContact CB-CE1 3.54Å; A147-Y224 WeakPolarHBondContact CB-OH 3.15Å; R209-Y224 PolarHBondContact N-O 2.97Å; R209-Y224 PolarHBondContact O-N 3.11Å; Y224-I226 HydrophobicContact CD1-CG1 4.12Å; Y224-I226 HydrophobicContact CE1-CG1 4.3Å
225I98.4Very high94Very high11 Ų1154.1 Ų54.16%0.05628%0.279CS..EExtended strand (participates in β ladder)trans-103.5133.3-172.2-54.1177.4000108.8V144 G145 V146 A147 I184 L205V144-I225 HydrophobicContact CG1-CD1 3.96Å; V144-I225 HydrophobicContact CG1-CG1 4.46Å; G145-I225 PolarHBondContact O-N 2.81Å; V146-I225 CarbonylContact C-O 3.48Å; V146-I225 VanDerWaalsContact CA-O 3.24Å; V146-I225 WeakPolarHBondContact CA-O 3.45Å; A147-I225 PolarHBondContact N-O 3.33Å; I184-I225 HydrophobicContact CD1-CD1 3.41Å; I184-I225 VanDerWaalsContact CD1-CD1 3.41Å; I184-I225 HydrophobicContact CG1-CD1 3.89Å; I184-I225 HydrophobicContact CG2-CB 4.23Å; I184-I225 HydrophobicContact CG2-CD1 4.24Å; I184-I225 HydrophobicContact CG2-CG2 3.83Å; L205-I225 HydrophobicContact CD1-CG2 3.76Å; L205-I225 HydrophobicContact CD2-CG2 3.45Å; L205-I225 VanDerWaalsContact CD2-CG2 3.45Å; L205-I225 HydrophobicContact CG-CG2 4.14Å
226I98.7Very high94.8Very high4 Ų451.6 Ų51.62%0.02126%0.26CS..EExtended strand (participates in β ladder)trans-113.7120.5-177.4-54.2174.4000108.3A147 A149 F173 L206 S207 Y224 I263 V267A147-I226 HydrophobicContact CB-CG1 4.3Å; A147-I226 HydrophobicContact CB-CG2 4.37Å; A149-I226 HydrophobicContact CB-CG2 4.43Å; F173-I226 HydrophobicContact CD2-CG2 4.13Å; F173-I226 HydrophobicContact CE2-CG2 4.35Å; L206-I226 WeakPolarHBondContact CB-O 3.49Å; L206-I226 PolarHBondContact N-O 2.95Å; S207-I226 PolarHBondContact N-O 3.19Å; S207-I226 PolarHBondContact O-N 3.1Å; Y224-I226 HydrophobicContact CD1-CG1 4.12Å; Y224-I226 HydrophobicContact CE1-CG1 4.3Å; I226-I263 HydrophobicContact CD1-CG2 3.85Å; I226-V267 HydrophobicContact CD1-CG2 3.78Å; I226-V267 HydrophobicContact CG2-CG1 4.08Å; I226-V267 HydrophobicContact CG2-CG2 4.47Å
227C98.8Very high95.6Very high0 Ų057 Ų570%029%0.285CS..EExtended strand (participates in β ladder)trans-104.1144.9-176.1-54.30000111V146 A147 A149 A188 F202 S204 L205 L229V146-C227 WeakPolarHBondContact CG1-SG 3.23Å; A147-C227 PolarHBondContact O-N 3.35Å; A149-C227 WeakPolarHBondContact CB-O 3.48Å; A149-C227 PolarHBondContact N-O 3.37Å; A188-C227 HydrophobicContact CB-CB 3.9Å; F202-C227 HydrophobicContact CD2-CB 3.99Å; F202-C227 HydrophobicContact CE2-CB 3.78Å; S204-C227 CarbonylContact O-C 3.57Å; S204-C227 VanDerWaalsContact O-CA 3.24Å; S204-C227 WeakPolarHBondContact O-CA 3.28Å; L205-C227 HydrophobicContact CD2-CB 4.41Å; L205-C227 WeakPolarHBondContact CD2-SG 3.45Å; C227-L229 HydrophobicContact CB-CD2 4.32Å
228R98.8Very high96.2Very high17 Ų1759.8 Ų59.86%0.06430%0.297CS..EExtended strand (participates in β ladder)trans-84.1129.1163-166.1168.763.481.9-0.1108.4E153 R203 S204 L206 L271 D283E153-R228 IonicContact OE1-NH1 3.47Å; E153-R228 PolarHBondContact OE1-NH1 3.42Å; R203-R228 WeakPolarHBondContact CB-O 3.29Å; R203-R228 PolarHBondContact N-O 2.82Å; S204-R228 PolarHBondContact N-O 3.27Å; S204-R228 PolarHBondContact O-N 3.43Å; S204-R228 WeakPolarHBondContact OG-CB 3.24Å; L206-R228 HydrophobicContact CD1-CB 3.86Å; L206-R228 HydrophobicContact CD1-CG 4.46Å; L206-R228 HydrophobicContact CD2-CB 3.97Å; L206-R228 HydrophobicContact CG-CB 3.83Å; R228-L271 HydrophobicContact CG-CD2 3.98Å; R228-D283 IonicContact CZ-OD1 3.74Å; R228-D283 IonicContact CZ-OD2 3.09Å; R228-D283 IonicContact NE-OD1 3.93Å; R228-D283 PolarHBondContact NE-OD1 3.39Å; R228-D283 IonicContact NE-OD2 2.64Å; R228-D283 IonicContact NH2-OD1 3.83Å; R228-D283 IonicContact NH2-OD2 3.64Å; R228-D283 PolarHBondContact NH2-OD2 2.64Å
229L98.9Very high96.5Very high1 Ų152.5 Ų52.51%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-123.8147177.1-57.1174.1000109.7A149 V150 F151 A188 V189 V192 E201 F202 C227A149-L229 PolarHBondContact O-N 3.24Å; V150-L229 WeakPolarHBondContact CA-O 3.49Å; V150-L229 HydrophobicContact CB-CB 4.44Å; V150-L229 HydrophobicContact CG2-CB 4.07Å; V150-L229 HydrophobicContact CG2-CD1 3.9Å; F151-L229 PolarHBondContact N-O 3.26Å; A188-L229 HydrophobicContact CB-CD1 4.11Å; A188-L229 HydrophobicContact CB-CD2 4.13Å; V189-L229 HydrophobicContact CG2-CD2 4.04Å; V192-L229 HydrophobicContact CB-CD1 4.41Å; V192-L229 HydrophobicContact CG2-CD1 3.56Å; E201-L229 VanDerWaalsContact O-CA 3.28Å; E201-L229 WeakPolarHBondContact O-CA 3.48Å; F202-L229 VanDerWaalsContact CA-CD2 3.48Å; F202-L229 HydrophobicContact CB-CD2 4.09Å; F202-L229 HydrophobicContact CD2-CD2 4.08Å; C227-L229 HydrophobicContact CB-CD2 4.32Å
230K98.8Very high96.7Very high87 Ų8757.1 Ų57.138%0.37828%0.279SS..EExtended strand (participates in β ladder)trans-105.5126.6173.1174.5169.8166.1-174.60109.7S200 E201 R203S200-K230 CarbonylContact C-O 3.45Å; S200-K230 WeakPolarHBondContact CA-O 3.28Å; S200-K230 WeakPolarHBondContact CB-O 3.41Å; E201-K230 HydrophobicContact CG-CB 3.82Å; E201-K230 HydrophobicContact CG-CG 4.48Å; E201-K230 PolarHBondContact N-O 3.2Å; E201-K230 PolarHBondContact O-N 3.02Å; E201-K230 VanDerWaalsContact OE1-CD 3.24Å; E201-K230 WeakPolarHBondContact OE1-CD 3.33Å; E201-K230 WeakPolarHBondContact OE1-CG 3.38Å; R203-K230 HydrophobicContact CG-CB 3.85Å
231P98.8Very high96.8Very high9 Ų958.9 Ų58.96%0.05829%0.289CS..EExtended strand (participates in β ladder)trans-75.9148.3177.428.7-31000111.7V150 F151 D152 I198 F234 W248V150-P231 HydrophobicContact CG1-CB 3.67Å; V150-P231 HydrophobicContact CG1-CG 3.95Å; F151-P231 WeakPolarHBondContact O-CD 2.93Å; D152-P231 HydrophobicContact CB-CG 3.96Å; I198-P231 HydrophobicContact CG2-CB 4.27Å; P231-F234 HydrophobicContact CB-CE1 4.13Å; P231-F234 HydrophobicContact CG-CE1 3.9Å; P231-W248 HydrophobicContact CB-CH2 3.85Å; P231-W248 HydrophobicContact CB-CZ2 4.35Å; P231-W248 HydrophobicContact CG-CH2 3.88Å
232Y98.6Very high96.5Very high141 Ų14160.3 Ų60.355%0.55329%0.294SS*.SBendtrans-130.55.6165.962.3-97.8000113K199 S200K199-Y232 HydrophobicContact CB-CD2 3.89Å; K199-Y232 HydrophobicContact CB-CE1 4.06Å; K199-Y232 HydrophobicContact CB-CE2 3.29Å; K199-Y232 HydrophobicContact CB-CG 4.49Å; K199-Y232 HydrophobicContact CD-CE2 3.71Å; K199-Y232 HydrophobicContact CG-CE2 4.15Å; K199-Y232 PolarHBondContact O-N 3.3Å; S200-Y232 VanDerWaalsContact C-CE1 3.46Å; S200-Y232 WeakPolarHBondContact O-CE1 3.46Å
233S98.6Very high96.5Very high31 Ų3160 Ų6022%0.21729%0.292CS..  trans-132.2157.6158.974.90000109.7K199K199-S233 PolarHBondContact N-OG 3.01Å; K199-S233 PolarHBondContact O-N 3.23Å
234F98.5Very high96.5Very high106 Ų10660.3 Ų60.347%0.46529%0.294SS..  trans-129.9-15.8-170.9-57.4-82.4000114.4D152 P231 I236 W248D152-F234 HydrophobicContact CB-CE1 4.37Å; P231-F234 HydrophobicContact CB-CE1 4.13Å; P231-F234 HydrophobicContact CG-CE1 3.9Å; F234-I236 PolarHBondContact O-N 3.14Å; F234-W248 HydrophobicContact CD1-CZ2 4.28Å; F234-W248 PolarHBondContact O-NE1 2.85Å
235T98.6Very high96.5Very high123 Ų12364.4 Ų64.476%0.75531%0.31SS*.  trans-76.3111.3176.7-53.50000110
236I98.6Very high96.5Very high49 Ų4964.4 Ų64.425%0.25131%0.311SS..  trans-72.3132.3177.5-63.9172.9000109.6L159 I198 F234 F238 C246 W248L159-I236 HydrophobicContact CD1-CD1 3.88Å; L159-I236 HydrophobicContact CD1-CG1 4.15Å; I198-I236 HydrophobicContact CD1-CG1 3.99Å; I198-I236 HydrophobicContact CG1-CG1 4.27Å; F234-I236 PolarHBondContact O-N 3.14Å; I236-F238 HydrophobicContact CG2-CB 4.05Å; I236-F238 HydrophobicContact CG2-CD1 3.95Å; I236-F238 HydrophobicContact CG2-CG 4.5Å; I236-C246 HydrophobicContact CG2-CB 3.8Å; I236-C246 VanDerWaalsContact CG2-SG 3.58Å; I236-W248 HydrophobicContact CD1-CG 4.3Å
237N97.4Very high96.4Very high130 Ų13068.1 Ų68.170%0.69533%0.328SS*.  trans-13780.6167.8178.636.5000108.1T196 G197T196-N237 CarbonylContact C-O 3.51Å; T196-N237 VanDerWaalsContact C-O 3.3Å; T196-N237 CarbonylContact O-C 3.49Å; T196-N237 VanDerWaalsContact O-C 3.29Å; T196-N237 PolarHBondContact O-N 3.17Å; G197-N237 PolarHBondContact N-O 2.88Å
238F95.8Very high96.4Very high63 Ų6370.4 Ų70.428%0.27634%0.337SS..  trans-84152.7-16871-94.3000113.4E195 I236 Q240 C243 C246E195-F238 CarbonylContact O-C 3.57Å; E195-F238 WeakPolarHBondContact O-CA 3.35Å; E195-F238 VanDerWaalsContact O-CB 3.29Å; E195-F238 WeakPolarHBondContact O-CB 3.44Å; I236-F238 HydrophobicContact CG2-CB 4.05Å; I236-F238 HydrophobicContact CG2-CD1 3.95Å; I236-F238 HydrophobicContact CG2-CG 4.5Å; F238-Q240 HydrophobicContact CE2-CG 4.22Å; F238-Q240 PolarHBondContact O-N 3.46Å; F238-C243 HydrophobicContact CD2-CB 3.86Å; F238-C243 HydrophobicContact CE2-CB 4.48Å; F238-C246 HydrophobicContact CB-CB 3.52Å; F238-C246 HydrophobicContact CD1-CB 3.84Å; F238-C246 HydrophobicContact CG-CB 3.74Å
239C93.9Very high96.4Very high36 Ų3670.8 Ų70.824%0.24334%0.34CS..  trans-70.6109.7178.5-178.20000111.3E195 H241 E242 C243E195-C239 PolarHBondContact O-N 3.04Å; C239-H241 PolarHBondContact O-N 3.41Å; C239-E242 HydrophobicContact CB-CB 4.49Å; C239-E242 PolarHBondContact O-N 3.32Å; C239-C243 PolarHBondContact O-N 3.24Å
240Q92.6Very high96.4Very high137 Ų13772.4 Ų72.464%0.6435%0.348SS*.THydrogen-bonded Turntrans-69.9-15.2-178-64.1-174.7-8.900114.5R164 F238R164-Q240 WeakPolarHBondContact CD-O 3.32Å; R164-Q240 PolarHBondContact NH1-O 3.27Å; F238-Q240 HydrophobicContact CE2-CG 4.22Å; F238-Q240 PolarHBondContact O-N 3.46Å
241H90.8Very high96.4Very high161 Ų16168.3 Ų68.375%0.74533%0.33SS*.THydrogen-bonded Turntrans-77.4-35176.1-66.291.8000111.6C239C239-H241 PolarHBondContact O-N 3.41Å
242E88.4Confident96.4Very high51 Ų5169.4 Ų69.424%0.23834%0.336CS..THydrogen-bonded Turntrans-103.1-41.7-173.4-60.1-162.4156.200112.4S6 R164 C239S6-E242 WeakPolarHBondContact CB-OE1 3.46Å; S6-E242 PolarHBondContact OG-OE1 2.86Å; R164-E242 WeakPolarHBondContact CB-O 3.48Å; R164-E242 PolarHBondContact N-O 3.39Å; C239-E242 HydrophobicContact CB-CB 4.49Å; C239-E242 PolarHBondContact O-N 3.32Å
243C92.3Very high96.4Very high1 Ų167.2 Ų67.21%0.00733%0.334CS..EExtended strand (participates in β ladder)trans-104.8138.5-174.8-49.20000111.8Q162 F238 C239Q162-C243 CarbonylContact O-C 3.51Å; Q162-C243 WeakPolarHBondContact O-CA 3.47Å; F238-C243 HydrophobicContact CD2-CB 3.86Å; F238-C243 HydrophobicContact CE2-CB 4.48Å; C239-C243 PolarHBondContact O-N 3.24Å
244L94.6Very high96.4Very high69 Ų6965.8 Ų65.836%0.36132%0.323SS..EExtended strand (participates in β ladder)trans-83.3-38.9167.9-178.863.1000111.5Q162 R164Q162-L244 HydrophobicContact CB-CB 4.46Å; Q162-L244 PolarHBondContact O-N 2.78Å; R164-L244 HydrophobicContact CB-CB 4.4Å
245R96.4Very high96.4Very high125 Ų12560.9 Ų60.947%0.47230%0.303SS..EExtended strand (participates in β ladder)trans-144.4151.2179.1-64.8-172.8-178.4152.9-2.8110.4V161 Q162 W171V161-R245 CarbonylContact C-O 3.5Å; V161-R245 VanDerWaalsContact CA-O 3.27Å; V161-R245 WeakPolarHBondContact CA-O 3.45Å; Q162-R245 HydrophobicContact CB-CB 4.37Å; Q162-R245 PolarHBondContact N-O 2.86Å; W171-R245 HydrophobicContact CH2-CB 3.8Å; W171-R245 HydrophobicContact CZ3-CB 4.09Å
246C97.9Very high96.3Very high12 Ų1262.7 Ų62.78%0.08130%0.3CS..EExtended strand (participates in β ladder)trans-142.9124.2169.7-178.80000108.2V160 V161 I236 F238V160-C246 WeakPolarHBondContact O-CA 3.35Å; V161-C246 HydrophobicContact CG1-CB 4.07Å; I236-C246 HydrophobicContact CG2-CB 3.8Å; I236-C246 VanDerWaalsContact CG2-SG 3.58Å; F238-C246 HydrophobicContact CB-CB 3.52Å; F238-C246 HydrophobicContact CD1-CB 3.84Å; F238-C246 HydrophobicContact CG-CB 3.74Å
247E98.4Very high96.2Very high82 Ų8262.2 Ų62.238%0.38330%0.3SS..EExtended strand (participates in β ladder)trans-141.6148.9-171.6-67.7179-156.600111.7V160 W171 M249V160-E247 WeakPolarHBondContact CG2-O 3.29Å; V160-E247 PolarHBondContact N-O 2.82Å; V160-E247 PolarHBondContact O-N 2.85Å; W171-E247 HydrophobicContact CH2-CB 4.1Å; W171-E247 VanDerWaalsContact CH2-CD 3.42Å; W171-E247 HydrophobicContact CH2-CG 3.84Å; W171-E247 WeakPolarHBondContact CH2-OE1 3.4Å; W171-E247 HydrophobicContact CZ3-CB 4.32Å; W171-E247 HydrophobicContact CZ3-CG 4.4Å; E247-M249 PolarHBondContact O-N 2.92Å
248W98.8Very high96Very high48 Ų4864.5 Ų64.518%0.18231%0.306CS..EExtended strand (participates in β ladder)trans-85.599162.4-73.1113.5000109.2V150 D152 K157 L159 I198 P231 F234 I236V150-W248 HydrophobicContact CB-CH2 4.45Å; V150-W248 HydrophobicContact CG1-CH2 3.82Å; V150-W248 HydrophobicContact CG1-CZ3 4.37Å; V150-W248 WeakPolarHBondContact O-CZ3 3.43Å; D152-W248 HydrophobicContact CB-CZ3 4.45Å; K157-W248 HydrophobicContact CB-CB 4.16Å; K157-W248 HydrophobicContact CB-CE3 4.09Å; K157-W248 HydrophobicContact CD-CB 3.8Å; L159-W248 HydrophobicContact CB-CE3 4.02Å; L159-W248 HydrophobicContact CB-CH2 4Å; L159-W248 HydrophobicContact CB-CZ3 3.71Å; L159-W248 HydrophobicContact CD1-CD2 4.02Å; L159-W248 HydrophobicContact CD1-CE3 4.29Å; L159-W248 HydrophobicContact CD1-CH2 4.37Å; L159-W248 HydrophobicContact CD1-CZ2 4.11Å; L159-W248 HydrophobicContact CD1-CZ3 4.47Å; I198-W248 HydrophobicContact CD1-CZ2 4.03Å; I198-W248 HydrophobicContact CG1-CZ2 4.14Å; I198-W248 HydrophobicContact CG2-CH2 4.45Å; I198-W248 HydrophobicContact CG2-CZ2 4.16Å; P231-W248 HydrophobicContact CB-CH2 3.85Å; P231-W248 HydrophobicContact CB-CZ2 4.35Å; P231-W248 HydrophobicContact CG-CH2 3.88Å; F234-W248 HydrophobicContact CD1-CZ2 4.28Å; F234-W248 PolarHBondContact O-NE1 2.85Å; I236-W248 HydrophobicContact CD1-CG 4.3Å
249M98.6Very high96Very high25 Ų2566.2 Ų66.212%0.12332%0.318CS..EExtended strand (participates in β ladder)trans-93.3148-178.2-173.9174.7-70.400111.2K157 I158 V160 W171 E247 L251 D253 L254K157-M249 CarbonylContact C-O 3.03Å; K157-M249 VanDerWaalsContact CA-O 3.23Å; K157-M249 WeakPolarHBondContact CA-O 3.49Å; I158-M249 HydrophobicContact CG2-CB 4.35Å; I158-M249 WeakPolarHBondContact CG2-O 3.26Å; I158-M249 PolarHBondContact N-O 2.8Å; I158-M249 PolarHBondContact O-N 3.31Å; V160-M249 HydrophobicContact CG2-CB 3.75Å; V160-M249 HydrophobicContact CG2-CE 3.93Å; V160-M249 HydrophobicContact CG2-SD 4.36Å; W171-M249 HydrophobicContact CD2-CE 3.66Å; W171-M249 HydrophobicContact CE3-CE 4.4Å; W171-M249 HydrophobicContact CG-CE 3.77Å; W171-M249 HydrophobicContact CZ2-CE 3.95Å; W171-M249 VanDerWaalsContact NE1-CE 3.29Å; E247-M249 PolarHBondContact O-N 2.92Å; M249-L251 PolarHBondContact O-N 2.93Å; M249-D253 HydrophobicContact CG-CB 4.2Å; M249-L254 HydrophobicContact CG-CB 4.44Å; M249-L254 HydrophobicContact SD-CB 3.79Å; M249-L254 HydrophobicContact SD-CD1 3.93Å; M249-L254 HydrophobicContact SD-CG 4.44Å
250D98.8Very high96.1Very high35 Ų3564.9 Ų64.919%0.18731%0.309CS..EExtended strand (participates in β ladder)trans-64.7135168.8-178.1-82.8000109.9R156 N252 D253 L254R156-D250 IonicContact CZ-OD2 3.83Å; R156-D250 IonicContact NE-OD1 2.77Å; R156-D250 IonicContact NE-OD2 3.36Å; R156-D250 PolarHBondContact NE-OD2 2.92Å; R156-D250 VanDerWaalsContact NE-OD2 3.09Å; R156-D250 IonicContact NH2-OD1 2.94Å; R156-D250 IonicContact NH2-OD2 3.4Å; R156-D250 PolarHBondContact NH2-OD2 3.28Å; D250-N252 VanDerWaalsContact C-N 3.25Å; D250-N252 PolarHBondContact O-N 2.76Å; D250-N252 WeakPolarHBondContact OD1-CA 3.19Å; D250-N252 WeakPolarHBondContact OD1-CB 3.5Å; D250-N252 PolarHBondContact OD1-N 2.91Å; D250-N252 PolarHBondContact OD1-ND2 3.09Å; D250-D253 HydrophobicContact CB-CB 4.32Å; D250-D253 WeakPolarHBondContact O-CB 3.49Å; D250-D253 PolarHBondContact O-N 3.38Å; D250-L254 PolarHBondContact O-N 3.42Å; D250-L254 VanDerWaalsContact O-N 3.1Å
251L98.7Very high96.2Very high0 Ų060.6 Ų60.60%029%0.292CS..Hα-helixtrans-61.2-32.8-176.8-177.362.5000113.2F151 R156 I158 M249 D253 L254 A255 A268 L271 L272F151-L251 HydrophobicContact CD2-CD2 4.2Å; F151-L251 HydrophobicContact CE2-CB 4Å; F151-L251 HydrophobicContact CE2-CD2 3.58Å; F151-L251 HydrophobicContact CE2-CG 4.31Å; F151-L251 HydrophobicContact CZ-CD2 3.84Å; R156-L251 HydrophobicContact CG-CB 4.19Å; R156-L251 WeakPolarHBondContact O-CB 3.22Å; R156-L251 PolarHBondContact O-N 3.2Å; I158-L251 HydrophobicContact CB-CD1 4.22Å; I158-L251 HydrophobicContact CG2-CB 4.48Å; I158-L251 HydrophobicContact CG2-CD1 4.08Å; M249-L251 PolarHBondContact O-N 2.93Å; L251-D253 VanDerWaalsContact C-N 3.33Å; L251-L254 PolarHBondContact O-N 2.98Å; L251-A255 WeakPolarHBondContact O-CB 3.36Å; L251-A255 PolarHBondContact O-N 2.98Å; L251-A268 HydrophobicContact CD1-CB 4.01Å; L251-L271 HydrophobicContact CD1-CB 4.1Å; L251-L271 HydrophobicContact CD1-CD1 4.4Å; L251-L271 HydrophobicContact CD2-CB 3.91Å; L251-L272 HydrophobicContact CD2-CB 4.03Å; L251-L272 HydrophobicContact CD2-CD1 4.27Å; L251-L272 HydrophobicContact CG-CB 4.39Å
252N98.3Very high96.4Very high32 Ų3258.4 Ų58.417%0.17129%0.292CS..Hα-helixtrans-68.5-36.5176.2-59.1-53.5000111.4R156 D250 A255 K256 L272R156-N252 PolarHBondContact NE-ND2 3.36Å; R156-N252 PolarHBondContact NH1-ND2 2.91Å; R156-N252 PolarHBondContact NH2-ND2 3.24Å; D250-N252 VanDerWaalsContact C-N 3.25Å; D250-N252 PolarHBondContact O-N 2.76Å; D250-N252 WeakPolarHBondContact OD1-CA 3.19Å; D250-N252 WeakPolarHBondContact OD1-CB 3.5Å; D250-N252 PolarHBondContact OD1-N 2.91Å; D250-N252 PolarHBondContact OD1-ND2 3.09Å; N252-A255 PolarHBondContact O-N 2.97Å; N252-K256 WeakPolarHBondContact O-CB 3.25Å; N252-K256 VanDerWaalsContact O-CG 3.27Å; N252-K256 WeakPolarHBondContact O-CG 3.37Å; N252-K256 PolarHBondContact O-N 3.45Å; N252-K256 VanDerWaalsContact O-N 3.16Å; N252-L272 VanDerWaalsContact OD1-CD1 3.25Å; N252-L272 WeakPolarHBondContact OD1-CD1 3.39Å; N252-L272 WeakPolarHBondContact OD1-CD2 3.26Å
253D98.4Very high96.8Very high96 Ų9659.3 Ų59.351%0.51330%0.298SS..Hα-helixtrans-65.3-45.2177.7-66.6-16.3000109.8M249 D250 L251 A255 K256 T257M249-D253 HydrophobicContact CG-CB 4.2Å; D250-D253 HydrophobicContact CB-CB 4.32Å; D250-D253 WeakPolarHBondContact O-CB 3.49Å; D250-D253 PolarHBondContact O-N 3.38Å; L251-D253 VanDerWaalsContact C-N 3.33Å; D253-A255 VanDerWaalsContact C-N 3.31Å; D253-A255 PolarHBondContact O-N 2.84Å; D253-K256 PolarHBondContact O-N 3.24Å; D253-T257 VanDerWaalsContact O-CB 3.3Å; D253-T257 WeakPolarHBondContact O-CB 3.22Å; D253-T257 PolarHBondContact O-N 2.85Å
254L98.4Very high97.1Very high0 Ų059.6 Ų59.60%030%0.3CS..Hα-helixtrans-62.5-36.9174.6-173.463000112.5I158 V160 W171 F173 M249 D250 L251 K256 T257 T264 A268I158-L254 HydrophobicContact CG1-CD2 4.19Å; I158-L254 HydrophobicContact CG2-CB 4.17Å; I158-L254 HydrophobicContact CG2-CD2 3.64Å; V160-L254 HydrophobicContact CG1-CD1 4.05Å; V160-L254 HydrophobicContact CG1-CD2 3.65Å; V160-L254 HydrophobicContact CG1-CG 4.46Å; W171-L254 HydrophobicContact CB-CD1 4.03Å; F173-L254 HydrophobicContact CE1-CD2 3.87Å; F173-L254 HydrophobicContact CZ-CD2 4.26Å; M249-L254 HydrophobicContact CG-CB 4.44Å; M249-L254 HydrophobicContact SD-CB 3.79Å; M249-L254 HydrophobicContact SD-CD1 3.93Å; M249-L254 HydrophobicContact SD-CG 4.44Å; D250-L254 PolarHBondContact O-N 3.42Å; D250-L254 VanDerWaalsContact O-N 3.1Å; L251-L254 PolarHBondContact O-N 2.98Å; L254-K256 VanDerWaalsContact C-N 3.26Å; L254-K256 PolarHBondContact O-N 2.81Å; L254-T257 HydrophobicContact CD1-CG2 4.37Å; L254-T264 HydrophobicContact CD1-CG2 4.09Å; L254-T264 HydrophobicContact CD2-CG2 4.21Å; L254-T264 HydrophobicContact CG-CG2 4.4Å; L254-A268 HydrophobicContact CB-CB 4.27Å; L254-A268 HydrophobicContact CD2-CB 3.92Å; L254-A268 HydrophobicContact CG-CB 3.88Å
255A98.1Very high97.2Very high4 Ų456.9 Ų56.93%0.03329%0.286CS..Hα-helixtrans-68.8-23.3179.400000113.7L251 N252 D253 S265 A268 R269L251-A255 WeakPolarHBondContact O-CB 3.36Å; L251-A255 PolarHBondContact O-N 2.98Å; N252-A255 PolarHBondContact O-N 2.97Å; D253-A255 VanDerWaalsContact C-N 3.31Å; D253-A255 PolarHBondContact O-N 2.84Å; A255-S265 PolarHBondContact O-OG 2.98Å; A255-A268 HydrophobicContact CB-CB 4.15Å; A255-R269 HydrophobicContact CB-CG 3.92Å; A255-R269 PolarHBondContact O-NE 3.45Å; A255-R269 VanDerWaalsContact O-NE 3.13Å; A255-R269 PolarHBondContact O-NH2 3.43Å
256K97.7Very high97.4Very high161 Ų16159.1 Ų59.170%0.730%0.295SS*.Hα-helixtrans-106.9-28.4-175.1-68172.9-174.5175.10114.2N252 D253 L254N252-K256 WeakPolarHBondContact O-CB 3.25Å; N252-K256 VanDerWaalsContact O-CG 3.27Å; N252-K256 WeakPolarHBondContact O-CG 3.37Å; N252-K256 PolarHBondContact O-N 3.45Å; N252-K256 VanDerWaalsContact O-N 3.16Å; D253-K256 PolarHBondContact O-N 3.24Å; L254-K256 VanDerWaalsContact C-N 3.26Å; L254-K256 PolarHBondContact O-N 2.81Å
257T95.6Very high97.4Very high39 Ų3958.7 Ų58.724%0.23929%0.292CS..  trans-61.6143.6-174.3-169.40000112.3D253 L254 N259 T260D253-T257 VanDerWaalsContact O-CB 3.3Å; D253-T257 WeakPolarHBondContact O-CB 3.22Å; D253-T257 PolarHBondContact O-N 2.85Å; L254-T257 HydrophobicContact CD1-CG2 4.37Å; T257-N259 VanDerWaalsContact C-N 3.34Å; T257-N259 PolarHBondContact OG1-N 2.83Å; T257-T260 HydrophobicContact CG2-CG2 3.72Å; T257-T260 WeakPolarHBondContact O-CG2 3.31Å
258E93.8Very high97.4Very high177 Ų17754.8 Ų54.883%0.82727%0.274SS*.SBendtrans-83.8-16.2171.4-62-176.117200111.9T260E258-T260 PolarHBondContact O-N 3Å
259N95Very high97.4Very high99 Ų9958.9 Ų58.953%0.52929%0.289SS..SBendtrans-82.640.8179.8-64.5-39.8000112.1M170 W171 T257M170-N259 VanDerWaalsContact SD-C 3.56Å; W171-N259 VanDerWaalsContact CD1-O 3.29Å; W171-N259 PolarHBondContact N-O 2.88Å; T257-N259 VanDerWaalsContact C-N 3.34Å; T257-N259 PolarHBondContact OG1-N 2.83Å
260T96Very high97.4Very high8 Ų860.2 Ų60.25%0.04930%0.296CS..BIsolated β-bridgetrans-150.3158.1179.9-164.10000110.6M170 W171 T257 E258 T264M170-T260 WeakPolarHBondContact CE-O 3.37Å; W171-T260 PolarHBondContact O-OG1 2.63Å; T257-T260 HydrophobicContact CG2-CG2 3.72Å; T257-T260 WeakPolarHBondContact O-CG2 3.31Å; E258-T260 PolarHBondContact O-N 3Å; T260-T264 WeakPolarHBondContact OG1-CB 3.28Å; T260-T264 VanDerWaalsContact OG1-CG2 3.22Å; T260-T264 WeakPolarHBondContact OG1-CG2 3.3Å
261T94.5Very high97.4Very high48 Ų4858.5 Ų58.529%0.29429%0.287SS..  trans-71.9153-179.981.90000111.2I263 T264 S265T261-I263 PolarHBondContact O-N 3.28Å; T261-T264 PolarHBondContact O-N 2.93Å; T261-T264 VanDerWaalsContact O-N 3.11Å; T261-T264 PolarHBondContact OG1-N 2.87Å; T261-T264 VanDerWaalsContact OG1-N 3.09Å; T261-T264 PolarHBondContact OG1-OG1 3.08Å; T261-S265 PolarHBondContact O-N 3.04Å
262P96.4Very high97.4Very high114 Ų11460 Ų6074%0.7430%0.295SS*.Hα-helixtrans-55.7-34.1175.7-2835.8000113.8R266P262-R266 WeakPolarHBondContact O-CB 3.39Å; P262-R266 PolarHBondContact O-N 3.45Å
263I96.6Very high97.4Very high71 Ų7163.7 Ų63.736%0.36431%0.307SS..Hα-helixtrans-69.5-47.8176.8-67.6163.6000110.3R209 I226 T261 S265 R266 V267R209-I263 VanDerWaalsContact CD-CD1 3.46Å; R209-I263 HydrophobicContact CG-CD1 4.06Å; I226-I263 HydrophobicContact CD1-CG2 3.85Å; T261-I263 PolarHBondContact O-N 3.28Å; I263-S265 VanDerWaalsContact C-N 3.32Å; I263-S265 PolarHBondContact O-N 2.94Å; I263-R266 PolarHBondContact O-N 3.25Å; I263-R266 VanDerWaalsContact O-N 3.16Å; I263-V267 WeakPolarHBondContact O-CG2 3.24Å; I263-V267 PolarHBondContact O-N 3.29Å
264T97.8Very high97.4Very high7 Ų759.2 Ų59.24%0.04328%0.283CS..Hα-helixtrans-57-46.9175.9-47.40000110.7F173 L254 T260 T261 R266 V267 A268F173-T264 HydrophobicContact CD2-CG2 4.44Å; F173-T264 HydrophobicContact CE1-CG2 4.24Å; F173-T264 HydrophobicContact CE2-CG2 3.99Å; F173-T264 HydrophobicContact CZ-CG2 3.88Å; L254-T264 HydrophobicContact CD1-CG2 4.09Å; L254-T264 HydrophobicContact CD2-CG2 4.21Å; L254-T264 HydrophobicContact CG-CG2 4.4Å; T260-T264 WeakPolarHBondContact OG1-CB 3.28Å; T260-T264 VanDerWaalsContact OG1-CG2 3.22Å; T260-T264 WeakPolarHBondContact OG1-CG2 3.3Å; T261-T264 PolarHBondContact O-N 2.93Å; T261-T264 VanDerWaalsContact O-N 3.11Å; T261-T264 PolarHBondContact OG1-N 2.87Å; T261-T264 VanDerWaalsContact OG1-N 3.09Å; T261-T264 PolarHBondContact OG1-OG1 3.08Å; T264-R266 VanDerWaalsContact C-N 3.34Å; T264-R266 PolarHBondContact O-N 3.48Å; T264-V267 PolarHBondContact O-N 3.19Å; T264-A268 WeakPolarHBondContact O-CB 3.43Å; T264-A268 PolarHBondContact O-N 3.07Å
265S98Very high97.4Very high12 Ų1263.6 Ų63.68%0.08430%0.301CS..Hα-helixtrans-60.8-41.8177-176.20000112A255 T261 I263 A268 R269A255-S265 PolarHBondContact O-OG 2.98Å; T261-S265 PolarHBondContact O-N 3.04Å; I263-S265 VanDerWaalsContact C-N 3.32Å; I263-S265 PolarHBondContact O-N 2.94Å; S265-A268 PolarHBondContact O-N 2.84Å; S265-R269 WeakPolarHBondContact O-CG 3.48Å; S265-R269 PolarHBondContact O-N 3.47Å; S265-R269 PolarHBondContact OG-NE 2.92Å; S265-R269 PolarHBondContact OG-NH2 3.44Å
266R98.6Very high97.4Very high172 Ų17271.9 Ų71.965%0.64933%0.331SS*.Hα-helixtrans-62.7-45.3177.2-179.558.961.580.72.4112P262 I263 T264 R269 L270P262-R266 WeakPolarHBondContact O-CB 3.39Å; P262-R266 PolarHBondContact O-N 3.45Å; I263-R266 PolarHBondContact O-N 3.25Å; I263-R266 VanDerWaalsContact O-N 3.16Å; T264-R266 VanDerWaalsContact C-N 3.34Å; T264-R266 PolarHBondContact O-N 3.48Å; R266-R269 PolarHBondContact O-N 3.47Å; R266-L270 PolarHBondContact O-N 2.87Å
267V98.6Very high97.5Very high3 Ų369.7 Ų69.72%0.01832%0.323CS..Hα-helixtrans-68.3-36.9177.9173.90000111.3F173 L206 I226 I263 T264 R269 L270 L271F173-V267 HydrophobicContact CE2-CB 3.78Å; F173-V267 HydrophobicContact CE2-CG1 3.58Å; F173-V267 HydrophobicContact CZ-CB 4.19Å; F173-V267 HydrophobicContact CZ-CG1 3.87Å; L206-V267 HydrophobicContact CD1-CG1 3.99Å; I226-V267 HydrophobicContact CD1-CG2 3.78Å; I226-V267 HydrophobicContact CG2-CG1 4.08Å; I226-V267 HydrophobicContact CG2-CG2 4.47Å; I263-V267 WeakPolarHBondContact O-CG2 3.24Å; I263-V267 PolarHBondContact O-N 3.29Å; T264-V267 PolarHBondContact O-N 3.19Å; V267-R269 VanDerWaalsContact C-N 3.3Å; V267-R269 PolarHBondContact O-N 2.93Å; V267-L270 WeakPolarHBondContact O-CB 3.42Å; V267-L270 PolarHBondContact O-N 3.25Å; V267-L270 VanDerWaalsContact O-N 3.14Å; V267-L271 HydrophobicContact CG1-CD1 4.21Å; V267-L271 PolarHBondContact O-N 3.44Å
268A98.7Very high97.6Very high0 Ų069 Ų690%032%0.324CS..Hα-helixtrans-59.8-41.2173.400000111.8L251 L254 A255 T264 S265 L271 L272L251-A268 HydrophobicContact CD1-CB 4.01Å; L254-A268 HydrophobicContact CB-CB 4.27Å; L254-A268 HydrophobicContact CD2-CB 3.92Å; L254-A268 HydrophobicContact CG-CB 3.88Å; A255-A268 HydrophobicContact CB-CB 4.15Å; T264-A268 WeakPolarHBondContact O-CB 3.43Å; T264-A268 PolarHBondContact O-N 3.07Å; S265-A268 PolarHBondContact O-N 2.84Å; A268-L271 PolarHBondContact O-N 2.92Å; A268-L272 WeakPolarHBondContact O-CB 3.38Å; A268-L272 PolarHBondContact O-N 3.34Å
269R98.8Very high97.8Very high134 Ų13462 Ų6251%0.50629%0.29SS..Hα-helixtrans-66.9-37.2173.6-66.8169-167177.65.4112.5A255 S265 R266 V267 L272 Y273A255-R269 HydrophobicContact CB-CG 3.92Å; A255-R269 PolarHBondContact O-NE 3.45Å; A255-R269 VanDerWaalsContact O-NE 3.13Å; A255-R269 PolarHBondContact O-NH2 3.43Å; S265-R269 WeakPolarHBondContact O-CG 3.48Å; S265-R269 PolarHBondContact O-N 3.47Å; S265-R269 PolarHBondContact OG-NE 2.92Å; S265-R269 PolarHBondContact OG-NH2 3.44Å; R266-R269 PolarHBondContact O-N 3.47Å; V267-R269 VanDerWaalsContact C-N 3.3Å; V267-R269 PolarHBondContact O-N 2.93Å; R269-L272 PolarHBondContact O-N 3.37Å; R269-Y273 PolarHBondContact O-N 3.48Å
270L98.8Very high97.9Very high52 Ų5260.2 Ų60.227%0.27228%0.281SS..Hα-helixtrans-63.1-46.3174.6-175.366.6000111L206 R266 V267 L272 Y273 G274 I282L206-L270 HydrophobicContact CB-CD2 4.29Å; R266-L270 PolarHBondContact O-N 2.87Å; V267-L270 WeakPolarHBondContact O-CB 3.42Å; V267-L270 PolarHBondContact O-N 3.25Å; V267-L270 VanDerWaalsContact O-N 3.14Å; L270-L272 VanDerWaalsContact C-N 3.31Å; L270-L272 PolarHBondContact O-N 2.94Å; L270-Y273 WeakPolarHBondContact O-CB 3.32Å; L270-Y273 PolarHBondContact O-N 2.99Å; L270-G274 PolarHBondContact O-N 2.96Å; L270-I282 HydrophobicContact CD1-CB 3.89Å; L270-I282 HydrophobicContact CD1-CG2 3.45Å; L270-I282 VanDerWaalsContact CD1-CG2 3.45Å; L270-I282 HydrophobicContact CD2-CB 4.47Å; L270-I282 HydrophobicContact CG-CB 3.96Å; L270-I282 HydrophobicContact CG-CD1 4.23Å; L270-I282 HydrophobicContact CG-CG2 3.9Å; L270-I282 WeakPolarHBondContact O-CD1 3.47Å
271L98.8Very high98Very high0 Ų065 Ų650%030%0.302CS..Hα-helixtrans-60.5-40173.3-78.3166.3000112.1A149 I158 L206 R228 L251 V267 A268 Y273 G274 Y275 F279 I282A149-L271 HydrophobicContact CB-CD1 3.99Å; I158-L271 HydrophobicContact CD1-CD1 3.92Å; L206-L271 HydrophobicContact CD1-CD1 4.33Å; L206-L271 HydrophobicContact CD1-CD2 3.81Å; L206-L271 HydrophobicContact CD1-CG 4.01Å; L206-L271 HydrophobicContact CD2-CD2 4.48Å; R228-L271 HydrophobicContact CG-CD2 3.98Å; L251-L271 HydrophobicContact CD1-CB 4.1Å; L251-L271 HydrophobicContact CD1-CD1 4.4Å; L251-L271 HydrophobicContact CD2-CB 3.91Å; V267-L271 HydrophobicContact CG1-CD1 4.21Å; V267-L271 PolarHBondContact O-N 3.44Å; A268-L271 PolarHBondContact O-N 2.92Å; L271-Y273 VanDerWaalsContact C-N 3.3Å; L271-Y273 PolarHBondContact O-N 3.26Å; L271-G274 PolarHBondContact O-N 3.39Å; L271-Y275 WeakPolarHBondContact O-CB 3.47Å; L271-Y275 PolarHBondContact O-N 2.99Å; L271-F279 HydrophobicContact CD2-CE1 4.34Å; L271-I282 HydrophobicContact CD2-CD1 4.34Å
272L98.6Very high98.2Very high30 Ų3063.3 Ų63.316%0.15729%0.29CS..Hα-helixtrans-65.2-36.5178.1-176.162.2000111.5L251 N252 A268 R269 L270 R276L251-L272 HydrophobicContact CD2-CB 4.03Å; L251-L272 HydrophobicContact CD2-CD1 4.27Å; L251-L272 HydrophobicContact CG-CB 4.39Å; N252-L272 VanDerWaalsContact OD1-CD1 3.25Å; N252-L272 WeakPolarHBondContact OD1-CD1 3.39Å; N252-L272 WeakPolarHBondContact OD1-CD2 3.26Å; A268-L272 WeakPolarHBondContact O-CB 3.38Å; A268-L272 PolarHBondContact O-N 3.34Å; R269-L272 PolarHBondContact O-N 3.37Å; L270-L272 VanDerWaalsContact C-N 3.31Å; L270-L272 PolarHBondContact O-N 2.94Å; L272-R276 VanDerWaalsContact O-CG 3.28Å; L272-R276 WeakPolarHBondContact O-CG 3.42Å; L272-R276 PolarHBondContact O-N 3.31Å
273Y98.8Very high98.2Very high111 Ų11158.9 Ų58.944%0.43526%0.26SS..Hα-helixtrans-63.4-49.8171.4172-122.3000111.1R269 L270 L271 Y275 R276 E277 K281 I282R269-Y273 PolarHBondContact O-N 3.48Å; L270-Y273 WeakPolarHBondContact O-CB 3.32Å; L270-Y273 PolarHBondContact O-N 2.99Å; L271-Y273 VanDerWaalsContact C-N 3.3Å; L271-Y273 PolarHBondContact O-N 3.26Å; Y273-Y275 VanDerWaalsContact C-N 3.33Å; Y273-Y275 PolarHBondContact O-N 2.83Å; Y273-R276 PolarHBondContact O-N 3.4Å; Y273-R276 VanDerWaalsContact O-N 3.14Å; Y273-E277 HydrophobicContact CD2-CB 3.95Å; Y273-E277 HydrophobicContact CD2-CG 3.61Å; Y273-E277 HydrophobicContact CE2-CB 3.66Å; Y273-E277 HydrophobicContact CE2-CG 3.55Å; Y273-E277 WeakPolarHBondContact O-CB 3.5Å; Y273-E277 PolarHBondContact O-N 3.04Å; Y273-K281 HydrophobicContact CD1-CB 4.39Å; Y273-K281 HydrophobicContact CE1-CB 3.53Å; Y273-K281 HydrophobicContact CE1-CG 4.28Å; Y273-I282 HydrophobicContact CD1-CG2 3.5Å; Y273-I282 HydrophobicContact CE1-CG2 3.99Å
274G98.6Very high98.3Very high1 Ų157.9 Ų57.91%0.0126%0.256CS..Hα-helixtrans-61.3-37.9176.800000113.8L270 L271 R276 G278 F279L270-G274 PolarHBondContact O-N 2.96Å; L271-G274 PolarHBondContact O-N 3.39Å; G274-R276 VanDerWaalsContact C-N 3.31Å; G274-R276 PolarHBondContact O-N 2.66Å; G274-G278 WeakPolarHBondContact CA-O 3.23Å; G274-G278 CarbonylContact O-C 3.45Å; G274-G278 WeakPolarHBondContact O-CA 3.22Å; G274-G278 PolarHBondContact O-N 3.37Å; G274-F279 PolarHBondContact O-N 3.4Å
275Y98.4Very high98.1Very high92 Ų9259.4 Ų59.436%0.36127%0.265SS..Hα-helixtrans-64-34.7175.7176.2-107.5000112.8F151 E153 R156 L271 Y273F151-Y275 AromaticContact CE1-CD2 3.66Å; F151-Y275 HydrophobicContact CE1-CD2 3.66Å; F151-Y275 HydrophobicContact CE1-CE2 4.46Å; F151-Y275 HydrophobicContact CE1-CG 4.12Å; F151-Y275 AromaticContact CZ-CD2 3.71Å; F151-Y275 HydrophobicContact CZ-CD2 3.71Å; F151-Y275 HydrophobicContact CZ-CE2 4.3Å; F151-Y275 AromaticContact CZ-CG 3.96Å; F151-Y275 HydrophobicContact CZ-CG 3.96Å; E153-Y275 WeakPolarHBondContact O-CE2 3.36Å; R156-Y275 HydrophobicContact CG-CD1 4.18Å; R156-Y275 HydrophobicContact CG-CE1 3.88Å; L271-Y275 WeakPolarHBondContact O-CB 3.47Å; L271-Y275 PolarHBondContact O-N 2.99Å; Y273-Y275 VanDerWaalsContact C-N 3.33Å; Y273-Y275 PolarHBondContact O-N 2.83Å
276R98.3Very high97.9Very high179 Ų17961.7 Ų61.768%0.67528%0.278SS*.Hα-helixtrans-87.4-35.3-177.7-69.9177.370.8-179.31.9113.4L272 Y273 G274L272-R276 VanDerWaalsContact O-CG 3.28Å; L272-R276 WeakPolarHBondContact O-CG 3.42Å; L272-R276 PolarHBondContact O-N 3.31Å; Y273-R276 PolarHBondContact O-N 3.4Å; Y273-R276 VanDerWaalsContact O-N 3.14Å; G274-R276 VanDerWaalsContact C-N 3.31Å; G274-R276 PolarHBondContact O-N 2.66Å
277E98.5Very high97.6Very high114 Ų11457.1 Ų57.153%0.53326%0.264SS..Hα-helixtrans-120.6-1.4-165.4-54.2-69.2169.600113.1Y273Y273-E277 HydrophobicContact CD2-CB 3.95Å; Y273-E277 HydrophobicContact CD2-CG 3.61Å; Y273-E277 HydrophobicContact CE2-CB 3.66Å; Y273-E277 HydrophobicContact CE2-CG 3.55Å; Y273-E277 WeakPolarHBondContact O-CB 3.5Å; Y273-E277 PolarHBondContact O-N 3.04Å
278G98.1Very high97.3Very high24 Ų2462 Ų6225%0.24729%0.287CS..  trans108.3133.1-179.100000113.3G274 D280 K281G274-G278 WeakPolarHBondContact CA-O 3.23Å; G274-G278 CarbonylContact O-C 3.45Å; G274-G278 WeakPolarHBondContact O-CA 3.22Å; G274-G278 PolarHBondContact O-N 3.37Å; G278-D280 WeakPolarHBondContact CA-OD1 3.48Å; G278-D280 PolarHBondContact O-N 2.74Å; G278-K281 WeakPolarHBondContact O-CB 3.4Å; G278-K281 WeakPolarHBondContact O-CG 3.47Å; G278-K281 PolarHBondContact O-N 3.18Å; G278-K281 VanDerWaalsContact O-N 3.14Å
279F98.3Very high97.1Very high30 Ų3064.8 Ų64.813%0.13230%0.302CS..G310 helixtrans-68.3-21.3178.4-71.7-65.4000113.4F151 E153 L271 G274 K281 I282 D283F151-F279 HydrophobicContact CD1-CE1 4.42Å; F151-F279 AromaticContact CD1-CZ 3.81Å; F151-F279 HydrophobicContact CD1-CZ 3.81Å; F151-F279 AromaticContact CE1-CZ 3.75Å; F151-F279 HydrophobicContact CE1-CZ 3.75Å; E153-F279 HydrophobicContact CG-CE2 3.76Å; E153-F279 HydrophobicContact CG-CZ 4.02Å; E153-F279 WeakPolarHBondContact OE1-CE2 3.36Å; L271-F279 HydrophobicContact CD2-CE1 4.34Å; G274-F279 PolarHBondContact O-N 3.4Å; F279-K281 PolarHBondContact O-N 3.07Å; F279-I282 HydrophobicContact CD1-CD1 3.82Å; F279-I282 HydrophobicContact CD1-CG1 4.14Å; F279-I282 HydrophobicContact CE1-CD1 4.24Å; F279-I282 PolarHBondContact O-N 2.93Å; F279-D283 WeakPolarHBondContact O-CB 3.33Å; F279-D283 VanDerWaalsContact O-CG 3.24Å; F279-D283 PolarHBondContact O-N 3.35Å
280D96.5Very high96.8Very high63 Ų6362.8 Ų62.834%0.33731%0.306SS..G310 helixtrans-53.1-28.1170.166.1-68.5000111.4G278 I282 K303G278-D280 WeakPolarHBondContact CA-OD1 3.48Å; G278-D280 PolarHBondContact O-N 2.74Å; D280-I282 VanDerWaalsContact C-N 3.33Å; D280-I282 PolarHBondContact O-N 2.97Å; D280-K303 WeakPolarHBondContact O-CE 3.39Å; D280-K303 PolarHBondContact O-NZ 3.08Å
281K97.8Very high96.5Very high109 Ų10960.7 Ų60.747%0.47430%0.296SS..G310 helixtrans-72.7-22.6179.8-54.8-57.9177.5-143.50114.6Y273 G278 F279Y273-K281 HydrophobicContact CD1-CB 4.39Å; Y273-K281 HydrophobicContact CE1-CB 3.53Å; Y273-K281 HydrophobicContact CE1-CG 4.28Å; G278-K281 WeakPolarHBondContact O-CB 3.4Å; G278-K281 WeakPolarHBondContact O-CG 3.47Å; G278-K281 PolarHBondContact O-N 3.18Å; G278-K281 VanDerWaalsContact O-N 3.14Å; F279-K281 PolarHBondContact O-N 3.07Å
282I98.3Very high95.9Very high12 Ų1266.6 Ų66.66%0.06233%0.332CS..THydrogen-bonded Turntrans-122.3-19.1-170.570.4170.3000113.6L206 L270 L271 Y273 F279 D280L206-I282 HydrophobicContact CD2-CD1 3.71Å; L206-I282 HydrophobicContact CD2-CG1 3.98Å; L270-I282 HydrophobicContact CD1-CB 3.89Å; L270-I282 HydrophobicContact CD1-CG2 3.45Å; L270-I282 VanDerWaalsContact CD1-CG2 3.45Å; L270-I282 HydrophobicContact CD2-CB 4.47Å; L270-I282 HydrophobicContact CG-CB 3.96Å; L270-I282 HydrophobicContact CG-CD1 4.23Å; L270-I282 HydrophobicContact CG-CG2 3.9Å; L270-I282 WeakPolarHBondContact O-CD1 3.47Å; L271-I282 HydrophobicContact CD2-CD1 4.34Å; Y273-I282 HydrophobicContact CD1-CG2 3.5Å; Y273-I282 HydrophobicContact CE1-CG2 3.99Å; F279-I282 HydrophobicContact CD1-CD1 3.82Å; F279-I282 HydrophobicContact CD1-CG1 4.14Å; F279-I282 HydrophobicContact CE1-CD1 4.24Å; F279-I282 PolarHBondContact O-N 2.93Å; D280-I282 VanDerWaalsContact C-N 3.33Å; D280-I282 PolarHBondContact O-N 2.97Å
283D98.3Very high95Very high20 Ų2072.2 Ų72.211%0.10736%0.357CS..  trans-76.9130.9-176-74.8-14.7000112S204 R228 F279S204-D283 VanDerWaalsContact CB-OD1 3.32Å; S204-D283 WeakPolarHBondContact CB-OD1 3.15Å; S204-D283 PolarHBondContact OG-OD1 3.23Å; R228-D283 IonicContact CZ-OD1 3.74Å; R228-D283 IonicContact CZ-OD2 3.09Å; R228-D283 IonicContact NE-OD1 3.93Å; R228-D283 PolarHBondContact NE-OD1 3.39Å; R228-D283 IonicContact NE-OD2 2.64Å; R228-D283 IonicContact NH2-OD1 3.83Å; R228-D283 IonicContact NH2-OD2 3.64Å; R228-D283 PolarHBondContact NH2-OD2 2.64Å; F279-D283 WeakPolarHBondContact O-CB 3.33Å; F279-D283 VanDerWaalsContact O-CG 3.24Å; F279-D283 PolarHBondContact O-N 3.35Å
284L97.9Very high94.2Very high51 Ų5170.2 Ų70.227%0.26736%0.357SS..EExtended strand (participates in β ladder)trans-98.4115.5160.3-54.2175000107.8L205 H302 K303L205-L284 HydrophobicContact CB-CB 4.06Å; L205-L284 HydrophobicContact CB-CD1 4.47Å; L205-L284 PolarHBondContact N-O 2.9Å; L205-L284 WeakPolarHBondContact O-CB 2.96Å; L205-L284 PolarHBondContact O-N 3.09Å; L284-H302 CarbonylContact C-O 3.3Å; L284-H302 VanDerWaalsContact CA-O 3.28Å; L284-H302 WeakPolarHBondContact CA-O 3.39Å; L284-K303 HydrophobicContact CD2-CB 4.25Å
285T92.7Very high93.6Very high39 Ų3973.5 Ų73.524%0.23939%0.39CS..EExtended strand (participates in β ladder)trans-77.6162.217852.20000111.1Y301 H302 E304T285-Y301 VanDerWaalsContact O-CA 3.27Å; T285-Y301 WeakPolarHBondContact O-CA 3.5Å; T285-H302 PolarHBondContact N-O 3.47Å; T285-H302 PolarHBondContact O-N 3.46Å; T285-H302 PolarHBondContact OG1-O 2.88Å; T285-H302 VanDerWaalsContact OG1-O 3.11Å; T285-E304 HydrophobicContact CG2-CB 3.77Å; T285-E304 HydrophobicContact CG2-CG 4.14Å; T285-E304 WeakPolarHBondContact OG1-CA 3.36Å
286V94.2Very high93.2Very high60 Ų6074.4 Ų74.436%0.36440%0.401SS..EExtended strand (participates in β ladder)trans-116.5136.9174.164.20000110.2F202 K299 L300 Y301F202-V286 HydrophobicContact CE1-CG1 3.98Å; V286-K299 HydrophobicContact CG2-CB 3.82Å; V286-K299 HydrophobicContact CG2-CD 4.36Å; V286-K299 HydrophobicContact CG2-CG 4.44Å; V286-L300 CarbonylContact C-O 3.53Å; V286-L300 WeakPolarHBondContact CA-O 3.48Å; V286-Y301 HydrophobicContact CB-CD1 3.67Å; V286-Y301 HydrophobicContact CB-CE1 3.51Å; V286-Y301 HydrophobicContact CB-CG 4.48Å; V286-Y301 HydrophobicContact CG1-CE1 4.43Å; V286-Y301 HydrophobicContact CG2-CD1 3.84Å; V286-Y301 HydrophobicContact CG2-CD2 4.43Å; V286-Y301 HydrophobicContact CG2-CE1 3.45Å; V286-Y301 VanDerWaalsContact CG2-CE1 3.45Å; V286-Y301 HydrophobicContact CG2-CE2 4.05Å; V286-Y301 HydrophobicContact CG2-CG 4.34Å
287E92.8Very high92.9Very high76 Ų7672.1 Ų72.136%0.35540%0.396SS..EExtended strand (participates in β ladder)trans-127.6138171.7-173.8173178.600109.7L289 K299 L300 H302E287-L289 HydrophobicContact CG-CD2 4.14Å; E287-L289 HydrophobicContact CG-CG 4.18Å; E287-K299 WeakPolarHBondContact O-CA 3.37Å; E287-L300 PolarHBondContact N-O 2.96Å; E287-L300 PolarHBondContact O-N 2.83Å; E287-H302 IonicContact OE2-NE2 3.66Å
288E92.8Very high92.6Very high106 Ų10673 Ų7350%0.49540%0.395SS..EExtended strand (participates in β ladder)trans-91.3122.9174.1-168.6167.999.900110F297 Y298 K299E288-F297 HydrophobicContact CG-CB 3.7Å; E288-F297 HydrophobicContact CG-CD1 3.93Å; E288-F297 HydrophobicContact CG-CG 4.09Å; E288-Y298 CarbonylContact C-O 3.29Å; E288-Y298 VanDerWaalsContact CA-O 3.3Å; E288-Y298 WeakPolarHBondContact CA-O 3.39Å; E288-K299 WeakPolarHBondContact OE2-CE 3.5Å; E288-K299 IonicContact OE2-NZ 3.38Å; E288-K299 PolarHBondContact OE2-NZ 2.86Å
289L93.2Very high92.3Very high58 Ų5875.8 Ų75.830%0.30440%0.4SS..EExtended strand (participates in β ladder)trans-127141.2-175-68.1172.7000110.8E287 F297 Y298 L300E287-L289 HydrophobicContact CG-CD2 4.14Å; E287-L289 HydrophobicContact CG-CG 4.18Å; L289-F297 CarbonylContact O-C 3.51Å; L289-F297 WeakPolarHBondContact O-CA 3.48Å; L289-Y298 PolarHBondContact N-O 3.08Å; L289-Y298 PolarHBondContact O-N 3.17Å; L289-L300 HydrophobicContact CD1-CB 3.98Å; L289-L300 HydrophobicContact CD1-CD2 3.63Å; L289-L300 HydrophobicContact CD1-CG 4.44Å
290P93.9Very high92.2Very high91 Ų9178.5 Ų78.559%0.59142%0.416SS*.EExtended strand (participates in β ladder)trans-70.6139.5-179.429.2-34.6000111.8F297P290-F297 HydrophobicContact CB-CD1 4.43Å; P290-F297 HydrophobicContact CB-CE1 4.33Å
291A91.1Very high92.2Very high9 Ų978.2 Ų78.27%0.07441%0.411CS..  trans-77.7134.6171.200000111H293 T294 L296 Y298A291-H293 VanDerWaalsContact C-N 3.31Å; A291-H293 PolarHBondContact O-N 3.26Å; A291-T294 WeakPolarHBondContact CB-OG1 3.2Å; A291-L296 HydrophobicContact CB-CB 4.38Å; A291-L296 VanDerWaalsContact CB-O 3.27Å; A291-L296 WeakPolarHBondContact CB-O 3.43Å; A291-L296 PolarHBondContact N-O 3.29Å; A291-Y298 VanDerWaalsContact CA-CE2 3.45Å; A291-Y298 HydrophobicContact CB-CD2 4.06Å; A291-Y298 HydrophobicContact CB-CE1 4.22Å; A291-Y298 HydrophobicContact CB-CE2 3.44Å; A291-Y298 VanDerWaalsContact CB-CE2 3.44Å
292V87.9Confident92.1Very high124 Ų12475.3 Ų75.375%0.75240%0.398SS*.THydrogen-bonded Turntrans-66.6-30.2-174.7-178.10000113
293H78.7Confident92.1Very high147 Ų14779.1 Ų79.168%0.68142%0.415SS*.THydrogen-bonded Turntrans-118.8-4.8-164.3-63.2-52.6000115.9A291A291-H293 VanDerWaalsContact C-N 3.31Å; A291-H293 PolarHBondContact O-N 3.26Å
294T81.9Confident91.8Very high70 Ų7082.6 Ų82.643%0.42943%0.43SS..THydrogen-bonded Turntrans-130.5-8-169.756.40000113.4A291 L296A291-T294 WeakPolarHBondContact CB-OG1 3.2Å; T294-L296 PolarHBondContact O-N 2.96Å; T294-L296 WeakPolarHBondContact OG1-CB 3.35Å; T294-L296 WeakPolarHBondContact OG1-CG 3.43Å; T294-L296 PolarHBondContact OG1-N 2.94Å
295G85.9Confident91.6Very high69 Ų6983.5 Ų83.571%0.71144%0.435SS*.SBendtrans64.711.4-171.400000113.6
296L90.5Very high91.5Very high112 Ų11285 Ų8559%0.58645%0.446SS*.  trans-90.6-178175.8-57.3177.8000110.3A291 T294A291-L296 HydrophobicContact CB-CB 4.38Å; A291-L296 VanDerWaalsContact CB-O 3.27Å; A291-L296 WeakPolarHBondContact CB-O 3.43Å; A291-L296 PolarHBondContact N-O 3.29Å; T294-L296 PolarHBondContact O-N 2.96Å; T294-L296 WeakPolarHBondContact OG1-CB 3.35Å; T294-L296 WeakPolarHBondContact OG1-CG 3.43Å; T294-L296 PolarHBondContact OG1-N 2.94Å
297F90.8Very high91.2Very high130 Ų13087.4 Ų87.457%0.5746%0.456SS*.EExtended strand (participates in β ladder)trans-121.4151.7177.1-64-92.3000111.2E288 L289 P290E288-F297 HydrophobicContact CG-CB 3.7Å; E288-F297 HydrophobicContact CG-CD1 3.93Å; E288-F297 HydrophobicContact CG-CG 4.09Å; L289-F297 CarbonylContact O-C 3.51Å; L289-F297 WeakPolarHBondContact O-CA 3.48Å; P290-F297 HydrophobicContact CB-CD1 4.43Å; P290-F297 HydrophobicContact CB-CE1 4.33Å
298Y92.2Very high91.2Very high134 Ų13488.2 Ų88.253%0.52546%0.463SS..EExtended strand (participates in β ladder)trans-108.4147.1170.2-60.5-57.1000109.5E288 L289 A291E288-Y298 CarbonylContact C-O 3.29Å; E288-Y298 VanDerWaalsContact CA-O 3.3Å; E288-Y298 WeakPolarHBondContact CA-O 3.39Å; L289-Y298 PolarHBondContact N-O 3.08Å; L289-Y298 PolarHBondContact O-N 3.17Å; A291-Y298 VanDerWaalsContact CA-CE2 3.45Å; A291-Y298 HydrophobicContact CB-CD2 4.06Å; A291-Y298 HydrophobicContact CB-CE1 4.22Å; A291-Y298 HydrophobicContact CB-CE2 3.44Å; A291-Y298 VanDerWaalsContact CB-CE2 3.44Å
299K93.6Very high91.1Very high81 Ų8189.7 Ų89.735%0.35247%0.465SS..EExtended strand (participates in β ladder)trans-101108.9163.7-61.5-158.5179.7-1420108.8D183 V286 E287 E288 Y301D183-K299 WeakPolarHBondContact OD1-CD 3.42Å; D183-K299 WeakPolarHBondContact OD1-CE 3.47Å; D183-K299 IonicContact OD1-NZ 2.65Å; D183-K299 WeakPolarHBondContact OD2-CE 3.4Å; D183-K299 IonicContact OD2-NZ 3.56Å; D183-K299 PolarHBondContact OD2-NZ 3.44Å; V286-K299 HydrophobicContact CG2-CB 3.82Å; V286-K299 HydrophobicContact CG2-CD 4.36Å; V286-K299 HydrophobicContact CG2-CG 4.44Å; E287-K299 WeakPolarHBondContact O-CA 3.37Å; E288-K299 WeakPolarHBondContact OE2-CE 3.5Å; E288-K299 IonicContact OE2-NZ 3.38Å; E288-K299 PolarHBondContact OE2-NZ 2.86Å; K299-Y301 HydrophobicContact CB-CE2 3.77Å; K299-Y301 WeakPolarHBondContact O-CD2 3.29Å
300L95.4Very high90.8Very high88 Ų8891 Ų9146%0.46147%0.468SS..EExtended strand (participates in β ladder)trans-94119.7-179.7-171.868000109.4V286 E287 L289V286-L300 CarbonylContact C-O 3.53Å; V286-L300 WeakPolarHBondContact CA-O 3.48Å; E287-L300 PolarHBondContact N-O 2.96Å; E287-L300 PolarHBondContact O-N 2.83Å; L289-L300 HydrophobicContact CD1-CB 3.98Å; L289-L300 HydrophobicContact CD1-CD2 3.63Å; L289-L300 HydrophobicContact CD1-CG 4.44Å
301Y95.7Very high90.3Very high57 Ų5791.1 Ų91.122%0.22447%0.467CS..EExtended strand (participates in β ladder)trans-103.6124177.8-61.7-92.9000110.3I184 F202 L205 T285 V286 K299I184-Y301 HydrophobicContact CD1-CD2 4.46Å; I184-Y301 HydrophobicContact CD1-CE2 3.67Å; F202-Y301 HydrophobicContact CZ-CE1 4.43Å; L205-Y301 HydrophobicContact CD1-CD1 3.22Å; L205-Y301 HydrophobicContact CD1-CD2 4.23Å; L205-Y301 HydrophobicContact CD1-CE1 3.67Å; L205-Y301 HydrophobicContact CD1-CG 3.51Å; L205-Y301 HydrophobicContact CD2-CD1 4.4Å; L205-Y301 HydrophobicContact CD2-CE1 4.21Å; L205-Y301 HydrophobicContact CG-CD1 3.44Å; L205-Y301 VanDerWaalsContact CG-CD1 3.44Å; L205-Y301 HydrophobicContact CG-CE1 3.73Å; L205-Y301 HydrophobicContact CG-CG 4.24Å; T285-Y301 VanDerWaalsContact O-CA 3.27Å; T285-Y301 WeakPolarHBondContact O-CA 3.5Å; V286-Y301 HydrophobicContact CB-CD1 3.67Å; V286-Y301 HydrophobicContact CB-CE1 3.51Å; V286-Y301 HydrophobicContact CB-CG 4.48Å; V286-Y301 HydrophobicContact CG1-CE1 4.43Å; V286-Y301 HydrophobicContact CG2-CD1 3.84Å; V286-Y301 HydrophobicContact CG2-CD2 4.43Å; V286-Y301 HydrophobicContact CG2-CE1 3.45Å; V286-Y301 VanDerWaalsContact CG2-CE1 3.45Å; V286-Y301 HydrophobicContact CG2-CE2 4.05Å; V286-Y301 HydrophobicContact CG2-CG 4.34Å; K299-Y301 HydrophobicContact CB-CE2 3.77Å; K299-Y301 WeakPolarHBondContact O-CD2 3.29Å
302H96.7Very high89.5Confident47 Ų4795.5 Ų95.522%0.21849%0.488CS..EExtended strand (participates in β ladder)trans-157.1166.7-179.260.891000111.1L284 T285 E287 E304L284-H302 CarbonylContact C-O 3.3Å; L284-H302 VanDerWaalsContact CA-O 3.28Å; L284-H302 WeakPolarHBondContact CA-O 3.39Å; T285-H302 PolarHBondContact N-O 3.47Å; T285-H302 PolarHBondContact O-N 3.46Å; T285-H302 PolarHBondContact OG1-O 2.88Å; T285-H302 VanDerWaalsContact OG1-O 3.11Å; E287-H302 IonicContact OE2-NE2 3.66Å; H302-E304 PolarHBondContact O-N 3.38Å
303K97.1Very high88Confident92 Ų9298.7 Ų98.740%0.449%0.492SS..EExtended strand (participates in β ladder)trans-57.7136.3169.117364.5-172.11010109D280 L284 L305D280-K303 WeakPolarHBondContact O-CE 3.39Å; D280-K303 PolarHBondContact O-NZ 3.08Å; L284-K303 HydrophobicContact CD2-CB 4.25Å; K303-L305 PolarHBondContact O-N 3.03Å; K303-L305 VanDerWaalsContact O-N 3.11Å
304E92.5Very high86.9Confident94 Ų9495.1 Ų95.144%0.43949%0.494SS..  trans-46121.7177.4-172.7-177.1-173.600111.3T285 H302T285-E304 HydrophobicContact CG2-CB 3.77Å; T285-E304 HydrophobicContact CG2-CG 4.14Å; T285-E304 WeakPolarHBondContact OG1-CA 3.36Å; H302-E304 PolarHBondContact O-N 3.38Å
305L93.1Very high85.5Confident70 Ų7097.3 Ų97.337%0.36650%0.502SS..  trans-94.6125.2177.4-172.964.9000108.4K303 K310K303-L305 PolarHBondContact O-N 3.03Å; K303-L305 VanDerWaalsContact O-N 3.11Å; L305-K310 HydrophobicContact CB-CG 4.04Å; L305-K310 HydrophobicContact CD2-CG 3.85Å; L305-K310 HydrophobicContact CG-CG 4Å; L305-K310 WeakPolarHBondContact O-CE 3.49Å; L305-K310 PolarHBondContact O-NZ 3.05Å
306P91.6Very high83.9Confident71 Ų71108.5 Ų108.546%0.46153%0.525SS..  trans-60.4145176.9-23.834.5000111.9N308 Y309 K310P306-N308 VanDerWaalsContact CB-OD1 3.28Å; P306-N308 WeakPolarHBondContact CB-OD1 3.45Å; P306-N308 PolarHBondContact O-N 2.98Å; P306-N308 VanDerWaalsContact O-N 3.15Å; P306-Y309 HydrophobicContact CB-CD2 4.18Å; P306-Y309 HydrophobicContact CG-CD2 4.4Å; P306-Y309 WeakPolarHBondContact O-CA 3.37Å; P306-Y309 PolarHBondContact O-N 3.05Å; P306-K310 PolarHBondContact O-N 3.11Å; P306-K310 VanDerWaalsContact O-N 3.15Å
307D88.3Confident83.5Confident109 Ų109108.4 Ų108.458%0.58352%0.522SS*.Hα-helixtrans-62.2-28.6-168.7-68.1-22.4000114.4Y309 K310 T311D307-Y309 PolarHBondContact O-N 3.36Å; D307-K310 PolarHBondContact O-N 3.27Å; D307-K310 IonicContact OD1-NZ 3.84Å; D307-K310 PolarHBondContact OD1-NZ 3.23Å; D307-T311 PolarHBondContact O-N 2.87Å; D307-T311 PolarHBondContact O-OG1 3.3Å
308N91.4Very high83.2Confident94 Ų94107.2 Ų107.250%0.50352%0.52SS..Hα-helixtrans-63.7-30.1173.464.2-44000112.3P306 M312P306-N308 VanDerWaalsContact CB-OD1 3.28Å; P306-N308 WeakPolarHBondContact CB-OD1 3.45Å; P306-N308 PolarHBondContact O-N 2.98Å; P306-N308 VanDerWaalsContact O-N 3.15Å; N308-M312 PolarHBondContact O-N 3.17Å
309Y91.2Very high82.7Confident136 Ų136105.7 Ų105.753%0.53352%0.519SS..Hα-helixtrans-88.1-23.9174.3-69.2-85.1000113.3P306 D307 M312P306-Y309 HydrophobicContact CB-CD2 4.18Å; P306-Y309 HydrophobicContact CG-CD2 4.4Å; P306-Y309 WeakPolarHBondContact O-CA 3.37Å; P306-Y309 PolarHBondContact O-N 3.05Å; D307-Y309 PolarHBondContact O-N 3.36Å; Y309-M312 HydrophobicContact CD1-SD 4.45Å
310K87.3Confident82Confident85 Ų85107.2 Ų107.237%0.3753%0.529SS..Hα-helixtrans-67.3-42.6174-73.3179.1-178.6146.80112.3L305 P306 D307L305-K310 HydrophobicContact CB-CG 4.04Å; L305-K310 HydrophobicContact CD2-CG 3.85Å; L305-K310 HydrophobicContact CG-CG 4Å; L305-K310 WeakPolarHBondContact O-CE 3.49Å; L305-K310 PolarHBondContact O-NZ 3.05Å; P306-K310 PolarHBondContact O-N 3.11Å; P306-K310 VanDerWaalsContact O-N 3.15Å; D307-K310 PolarHBondContact O-N 3.27Å; D307-K310 IonicContact OD1-NZ 3.84Å; D307-K310 PolarHBondContact OD1-NZ 3.23Å
311T84Confident81.2Confident94 Ų94108.4 Ų108.458%0.57753%0.533SS*.Hα-helixtrans-99.4-18.4-170.957.30000114D307 K313D307-T311 PolarHBondContact O-N 2.87Å; D307-T311 PolarHBondContact O-OG1 3.3Å; T311-K313 PolarHBondContact O-N 2.95Å
312M73.8Confident80.2Confident102 Ų102111.8 Ų111.850%0.50255%0.554SS.*  trans39.839.7-179.5-72.6-66.9-71.500113.6N308 Y309 G314 I315N308-M312 PolarHBondContact O-N 3.17Å; Y309-M312 HydrophobicContact CD1-SD 4.45Å; M312-G314 PolarHBondContact O-N 3.22Å; M312-I315 HydrophobicContact CE-CB 4.35Å
313K56Low79Confident191 Ų191116.4 Ų116.483%0.8358%0.578SS**THydrogen-bonded Turntrans-78104.8174.6-75.9-172178.2-179.60109T311T311-K313 PolarHBondContact O-N 2.95Å
314G55Low77.6Confident72 Ų72118.3 Ų118.374%0.74259%0.592SS**THydrogen-bonded Turntrans98.231.316300000117.3M312M312-G314 PolarHBondContact O-N 3.22Å
315I53.6Low76.4Confident115 Ų115120.3 Ų120.359%0.5960%0.604SS**  trans-119.792.9167-52.5177.7000107.7M312M312-I315 HydrophobicContact CE-CB 4.35Å
316Y51.6Low74.9Confident305 Ų305124.9 Ų124.9100%1.19663%0.626SS**  trans-111.60161.2-76.2-75.7000108.2

Retrieved 316 of 316 residues in 218.3 ms (Link to these results)