A0A087XU93_POEFO Loading...

EGF containing fibulin extracellular matrix protein 2a

AlphaFold DB , UniProt , Accession A0A087XU93, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 434 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
1M32.7Very low28.6Very low226 Ų226133.5 Ų133.5100%1.11380%0.797SS**  0103.10-76.7167132.200106.6
2Q27.5Very low28.3Very low192 Ų192132.3 Ų132.390%0.89780%0.798SS**  67.6128.4117.9-70.9178.8-28.400112.6
3G28Very low28.6Very low64 Ų64132.2 Ų132.266%0.6679%0.789SS**  cis-175.2144.9400000107
4V27.6Very low28.4Very low145 Ų145132 Ų13288%0.87980%0.795SS**  75.5100.1107.1-177.50000115.2
5C25.4Very low28.3Very low117 Ų117130.9 Ų130.979%0.79179%0.788SS**  71.7141.7118.6-118.50000124.6
6V28.1Very low28.3Very low118 Ų118129.9 Ų129.972%0.71579%0.79SS**  trans90.2109.4142.8-1750000119.9
7S29.6Very low28.2Very low96 Ų96126.8 Ų126.867%0.67178%0.781SS**  trans1.5161.3138.553.90000123.3
8V28Very low28.3Very low126 Ų126128.2 Ų128.276%0.76478%0.781SS**  trans113.4131.5144.7-171.60000115.8
9L32.7Very low28.3Very low156 Ų156128.6 Ų128.682%0.81778%0.778SS**  trans-38.7141.3163.4-80.985000114.8
10C24.6Very low28.4Very low117 Ų117132.9 Ų132.979%0.79178%0.779SS**  trans178.1118.8134.5-110.70000107.3
11V30.2Very low28.3Very low111 Ų111131.5 Ų131.567%0.67378%0.777SS**  53.1115.987.2-175.60000113.5I13V11-I13 HydrophobicContact CG1-CD1 4.37Å
12C25.2Very low28Very low120 Ų120124.5 Ų124.581%0.81176%0.755SS**  trans174.1106.4142.5-95.60000105.9
13I32.3Very low28.1Very low131 Ų131122.9 Ų122.967%0.67275%0.75SS**  47.1112.668.6-51.6179.4000113.1V11 V15V11-I13 HydrophobicContact CG1-CD1 4.37Å; I13-V15 HydrophobicContact CG2-CG2 3.93Å
14C25.6Very low28Very low129 Ų129124 Ų12487%0.87275%0.748SS**  trans-152.1102.4144.3-93.10000105.7
15V26.8Very low28.1Very low115 Ų115125 Ų12570%0.69774%0.744SS**  73110.174.8179.20000113.5I13 A17I13-V15 HydrophobicContact CG2-CG2 3.93Å; V15-A17 HydrophobicContact CG1-CB 4.47Å
16S27.6Very low28.8Very low116 Ų116124.7 Ų124.781%0.81174%0.743SS**  trans-156.193.9133.727.10000105.9
17A28.2Very low28.9Very low77 Ų77127.4 Ų127.464%0.63675%0.747SS**  60.1112.485.200000112V15V15-A17 HydrophobicContact CG1-CB 4.47Å
18L28.9Very low29.6Very low152 Ų152129 Ų12980%0.79675%0.752SS**  172.2121.1103.2-82.9160.9000110.8
19L27.8Very low29.6Very low136 Ų136130.1 Ų130.171%0.71275%0.747SS**  trans57.9119.5132.5-78.4157.1000117.9
20R30.7Very low29.7Very low214 Ų214128.6 Ų128.681%0.80874%0.744SS**  cis-159.6127.336.5-84.9174.6-177.3-159-1.5107.5
21S27.2Very low30Very low104 Ų104131.1 Ų131.173%0.72774%0.738SS**  48.812886.6680000112.8
22A26.3Very low30.7Very low79 Ų79131.6 Ų131.665%0.65374%0.742SS**  cis-165.113624.700000108
23I29Very low31.6Very low157 Ų157130.3 Ų130.381%0.80573%0.727SS**  81.813596.2-61.5170.8000114.7
24S26.2Very low32.7Very low88 Ų88127.7 Ų127.762%0.61572%0.717SS**  trans88.4102.8150.7-92.80000120.2
25Q29.8Very low34.3Very low167 Ų167128.6 Ų128.678%0.7871%0.709SS**  53.2116.3107.2-71.8-175.4-8.800117.6
26S40.1Very low36.3Very low110 Ų110124.5 Ų124.577%0.76968%0.684SS**  trans39.696.9138.162.60000116.2
27H30.1Very low38.4Very low175 Ų175123.9 Ų123.981%0.8168%0.676SS**  trans-124.5116.9147.9-120.3-78.3000108.9K29H27-K29 PolarHBondContact O-N 3.21Å
28V43.8Very low40.2Very low129 Ų129128 Ų12878%0.78269%0.687SS**  trans-45.3111.1150.3173.90000106.6
29K29.1Very low42Very low149 Ų149121.5 Ų121.565%0.64866%0.657SS**  trans-102.4104.3161-90.3-175175.5-1780106.4H27 Y31H27-K29 PolarHBondContact O-N 3.21Å; K29-Y31 HydrophobicContact CB-CD2 3.99Å; K29-Y31 HydrophobicContact CB-CE2 3.72Å; K29-Y31 HydrophobicContact CD-CE2 4.29Å; K29-Y31 WeakPolarHBondContact O-CD2 3.49Å; K29-Y31 PolarHBondContact O-N 3.28Å
30T35.4Very low44.4Very low124 Ų124118 Ų11876%0.76164%0.635SS**  trans-49.3104.7149.339.80000108.1T32T30-T32 PolarHBondContact O-N 2.97Å
31Y29.4Very low46.7Very low170 Ų170112 Ų11267%0.66762%0.616SS**  trans-87.793.3165.8-81.1-91.9000107.2K29 N33K29-Y31 HydrophobicContact CB-CD2 3.99Å; K29-Y31 HydrophobicContact CB-CE2 3.72Å; K29-Y31 HydrophobicContact CD-CE2 4.29Å; K29-Y31 WeakPolarHBondContact O-CD2 3.49Å; K29-Y31 PolarHBondContact O-N 3.28Å; Y31-N33 PolarHBondContact O-N 3.16Å
32T44.4Very low49.1Very low122 Ų122111.3 Ų111.375%0.74860%0.597SS**  trans-7084.9148.946.70000105.9T30 T34T30-T32 PolarHBondContact O-N 2.97Å; T32-T34 PolarHBondContact O-N 2.9Å
33N44.1Very low51.5Low92 Ų92109 Ų10949%0.49257%0.574SS.*  trans-79.777.3176-124.941.9000108.8Y31 E35Y31-N33 PolarHBondContact O-N 3.16Å; N33-E35 PolarHBondContact ND2-OE2 3.39Å; N33-E35 PolarHBondContact O-N 2.94Å; N33-E35 VanDerWaalsContact O-N 3.16Å; N33-E35 PolarHBondContact OD1-OE2 2.99Å
34T57Low53.1Low77 Ų77106.1 Ų106.147%0.47257%0.566SS.*  trans-80.857.3158.250.10000108.4T32 W42T32-T34 PolarHBondContact O-N 2.9Å; T34-W42 HydrophobicContact CG2-CD2 3.9Å; T34-W42 HydrophobicContact CG2-CG 4.06Å; T34-W42 HydrophobicContact CG2-CZ2 4.01Å
35E59.1Low55.2Low148 Ų148109.8 Ų109.869%0.69258%0.577SS**  trans-111.3107.1177.2-72.8-174.8160.600108N33N33-E35 PolarHBondContact ND2-OE2 3.39Å; N33-E35 PolarHBondContact O-N 2.94Å; N33-E35 VanDerWaalsContact O-N 3.16Å; N33-E35 PolarHBondContact OD1-OE2 2.99Å
36C68.4Low57.3Low28 Ų28104.6 Ų104.619%0.18956%0.557CS.*PPolyproline II helixtrans-84.8150.8170.4-62.70000109.7Y40 W42 C49C36-Y40 WeakPolarHBondContact CB-O 3.45Å; C36-W42 PolarHBondContact SG-N 2.91Å; C36-C49 WeakPolarHBondContact CA-SG 3.44Å; C36-C49 HydrophobicContact CB-CB 3.76Å; C36-C49 WeakPolarHBondContact CB-SG 3.07Å; C36-C49 WeakPolarHBondContact SG-CA 3.45Å; C36-C49 WeakPolarHBondContact SG-CB 3.02Å; C36-C49 CovalentContact SG-SG 2.03Å; C36-C49 PolarHBondContact SG-SG 3.48Å
37T71.5Confident58.6Low104 Ų104106.3 Ų106.364%0.63855%0.553SS**PPolyproline II helixtrans-61.7151171.647.90000110.8G39 Y40T37-G39 PolarHBondContact O-N 3.01Å; T37-Y40 PolarHBondContact O-N 3.16Å
38D65.9Low60.8Low163 Ų163104.4 Ų104.487%0.87254%0.544SS*.THydrogen-bonded Turntrans-47.8132.1176.9-68.2-24.9000111
39G67.1Low62.3Low15 Ų15100.8 Ų100.816%0.15552%0.524CS..THydrogen-bonded Turntrans95.7-3.3-173.100000115.1T37 I52T37-G39 PolarHBondContact O-N 3.01Å; G39-I52 PolarHBondContact O-N 3.05Å
40Y77.4Confident64.6Low63 Ų6398 Ų9825%0.24751%0.512CS..EExtended strand (participates in β ladder)trans-130.2145.9177-62.1-101.4000111.5C36 T37 K50 D51 G73C36-Y40 WeakPolarHBondContact CB-O 3.45Å; T37-Y40 PolarHBondContact O-N 3.16Å; Y40-K50 CarbonylContact C-O 3.6Å; Y40-K50 WeakPolarHBondContact CA-O 3.33Å; Y40-D51 VanDerWaalsContact CD1-CA 3.47Å; Y40-D51 HydrophobicContact CD1-CB 4.09Å; Y40-D51 HydrophobicContact CE1-CB 3.92Å; Y40-G73 VanDerWaalsContact CZ-CA 3.46Å; Y40-G73 VanDerWaalsContact CZ-N 3.33Å; Y40-G73 WeakPolarHBondContact OH-CA 3.31Å; Y40-G73 PolarHBondContact OH-N 3.2Å
41H78.8Confident66.5Low89 Ų8994 Ų9441%0.41249%0.486SS..EExtended strand (participates in β ladder)trans-115.3147173.976.9-66.9000110.8D43 C49 K50 I52H41-D43 PolarHBondContact O-N 3.22Å; H41-C49 WeakPolarHBondContact O-CA 3.36Å; H41-K50 PolarHBondContact N-O 2.89Å; H41-K50 PolarHBondContact ND1-O 3.22Å; H41-K50 PolarHBondContact O-N 3.42Å; H41-I52 HydrophobicContact CB-CD1 4Å; H41-I52 HydrophobicContact CB-CG1 3.82Å
42W77.9Confident68.9Low88 Ų8888.2 Ų88.233%0.33347%0.466SS..EExtended strand (participates in β ladder)trans-74.8122.8178.1-178.4-99.5000110.5T34 C36 P44 E47T34-W42 HydrophobicContact CG2-CD2 3.9Å; T34-W42 HydrophobicContact CG2-CG 4.06Å; T34-W42 HydrophobicContact CG2-CZ2 4.01Å; C36-W42 PolarHBondContact SG-N 2.91Å; W42-P44 WeakPolarHBondContact O-CD 3.42Å; W42-E47 HydrophobicContact CH2-CB 4.19Å; W42-E47 WeakPolarHBondContact CH2-O 3.49Å; W42-E47 HydrophobicContact CZ2-CB 4Å; W42-E47 HydrophobicContact CZ2-CG 4.47Å
43D77.8Confident70.5Confident31 Ų3184.6 Ų84.617%0.16644%0.442CS..EExtended strand (participates in β ladder)trans-96.8108170.8-174.4-15.7000110H41 L45 T46 E47 H48 K50H41-D43 PolarHBondContact O-N 3.22Å; D43-L45 PolarHBondContact O-N 3.22Å; D43-L45 WeakPolarHBondContact OD1-CB 3.37Å; D43-L45 PolarHBondContact OD1-N 3.19Å; D43-T46 PolarHBondContact O-N 2.91Å; D43-E47 PolarHBondContact O-N 3.05Å; D43-H48 PolarHBondContact N-O 3.1Å; D43-H48 VanDerWaalsContact N-O 3.12Å; D43-K50 HydrophobicContact CB-CD 3.93Å; D43-K50 HydrophobicContact CB-CG 4.2Å; D43-K50 WeakPolarHBondContact OD2-CD 3.27Å; D43-K50 VanDerWaalsContact OD2-CE 3.23Å; D43-K50 WeakPolarHBondContact OD2-CE 3.45Å; D43-K50 IonicContact OD2-NZ 3.06Å; D43-K50 PolarHBondContact OD2-NZ 2.79Å
44P62.2Low72.3Confident97 Ų9781 Ų8163%0.6342%0.422SS*.THydrogen-bonded Turntrans-70.1-9.9-177.528.3-33.5000114.2W42W42-P44 WeakPolarHBondContact O-CD 3.42Å
45L70.2Confident73.3Confident164 Ų16479.2 Ų79.286%0.85941%0.412SS*.THydrogen-bonded Turntrans-83.4-32.7172.9-111.485000112.8D43D43-L45 PolarHBondContact O-N 3.22Å; D43-L45 WeakPolarHBondContact OD1-CB 3.37Å; D43-L45 PolarHBondContact OD1-N 3.19Å
46T73.3Confident74.3Confident59 Ų5980 Ų8036%0.36242%0.416SS..THydrogen-bonded Turntrans-106.3-2.6-177.458.40000113.7D43 H48 K50D43-T46 PolarHBondContact O-N 2.91Å; T46-H48 PolarHBondContact O-CD2 3.49Å; T46-H48 PolarHBondContact O-N 3.41Å; T46-H48 VanDerWaalsContact O-N 3.1Å; T46-K50 WeakPolarHBondContact OG1-CE 3.06Å
47E67.3Low74.7Confident146 Ų14682.9 Ų82.968%0.68243%0.433SS*.THydrogen-bonded Turntrans49.834.2-177.1-60.1-173.5171.900113.3W42 D43W42-E47 HydrophobicContact CH2-CB 4.19Å; W42-E47 WeakPolarHBondContact CH2-O 3.49Å; W42-E47 HydrophobicContact CZ2-CB 4Å; W42-E47 HydrophobicContact CZ2-CG 4.47Å; D43-E47 PolarHBondContact O-N 3.05Å
48H77.3Confident74.8Confident134 Ų13481.5 Ų81.562%0.6242%0.421SS*.EExtended strand (participates in β ladder)trans-138.4151.6-179-74.1-53.3000110.9D43 T46 K50D43-H48 PolarHBondContact N-O 3.1Å; D43-H48 VanDerWaalsContact N-O 3.12Å; T46-H48 PolarHBondContact O-CD2 3.49Å; T46-H48 PolarHBondContact O-N 3.41Å; T46-H48 VanDerWaalsContact O-N 3.1Å; H48-K50 PolarHBondContact O-N 2.04Å
49C73.8Confident74.7Confident54 Ų5479.5 Ų79.537%0.36542%0.417SS..EExtended strand (participates in β ladder)trans-74.2119.4172.6-65.70000109.9C36 H41C36-C49 WeakPolarHBondContact CA-SG 3.44Å; C36-C49 HydrophobicContact CB-CB 3.76Å; C36-C49 WeakPolarHBondContact CB-SG 3.07Å; C36-C49 WeakPolarHBondContact SG-CA 3.45Å; C36-C49 WeakPolarHBondContact SG-CB 3.02Å; C36-C49 CovalentContact SG-SG 2.03Å; C36-C49 PolarHBondContact SG-SG 3.48Å; H41-C49 WeakPolarHBondContact O-CA 3.36Å
50K77.4Confident74.9Confident91 Ų9185.9 Ų85.940%0.39645%0.448SS..EExtended strand (participates in β ladder)trans-101.8137.6174.3-74.6-173.9179.2169.90110.1Y40 H41 D43 T46 H48 I52Y40-K50 CarbonylContact C-O 3.6Å; Y40-K50 WeakPolarHBondContact CA-O 3.33Å; H41-K50 PolarHBondContact N-O 2.89Å; H41-K50 PolarHBondContact ND1-O 3.22Å; H41-K50 PolarHBondContact O-N 3.42Å; D43-K50 HydrophobicContact CB-CD 3.93Å; D43-K50 HydrophobicContact CB-CG 4.2Å; D43-K50 WeakPolarHBondContact OD2-CD 3.27Å; D43-K50 VanDerWaalsContact OD2-CE 3.23Å; D43-K50 WeakPolarHBondContact OD2-CE 3.45Å; D43-K50 IonicContact OD2-NZ 3.06Å; D43-K50 PolarHBondContact OD2-NZ 2.79Å; T46-K50 WeakPolarHBondContact OG1-CE 3.06Å; H48-K50 PolarHBondContact O-N 2.04Å; K50-I52 PolarHBondContact O-N 2.02Å
51D77.1Confident74.4Confident38 Ų3883.7 Ų83.720%0.20344%0.442CS..EExtended strand (participates in β ladder)trans-52.1132.2175.2-174.366.7000110.8Y40 N70 H71 G73Y40-D51 VanDerWaalsContact CD1-CA 3.47Å; Y40-D51 HydrophobicContact CD1-CB 4.09Å; Y40-D51 HydrophobicContact CE1-CB 3.92Å; D51-N70 PolarHBondContact OD2-ND2 3.25Å; D51-H71 VanDerWaalsContact OD1-O 3.14Å; D51-G73 PolarHBondContact OD1-N 2.81Å
52I78.9Confident74.3Confident49 Ų4980.3 Ų80.325%0.25143%0.429SS..PPolyproline II helixtrans-84.7126.8175.2-64.9170.3000107G39 H41 K50 E54 T57 N70G39-I52 PolarHBondContact O-N 3.05Å; H41-I52 HydrophobicContact CB-CD1 4Å; H41-I52 HydrophobicContact CB-CG1 3.82Å; K50-I52 PolarHBondContact O-N 2.02Å; I52-E54 HydrophobicContact CG2-CG 4.41Å; I52-E54 PolarHBondContact O-N 3.44Å; I52-T57 HydrophobicContact CG2-CG2 4.32Å; I52-N70 PolarHBondContact O-OD1 3.31Å
53N78.4Confident73.9Confident46 Ų4685.3 Ų85.325%0.24645%0.453CS..  trans-76.293.2171.9-173.6-6.5000110.2C55 E56 T57 N70N53-C55 PolarHBondContact O-N 3.41Å; N53-C55 WeakPolarHBondContact OD1-CB 3.48Å; N53-C55 PolarHBondContact OD1-N 2.96Å; N53-E56 VanDerWaalsContact ND2-CD 3.3Å; N53-E56 PolarHBondContact ND2-OE1 3.35Å; N53-E56 PolarHBondContact O-N 2.94Å; N53-T57 PolarHBondContact O-N 3.06Å; N53-T57 PolarHBondContact O-OG1 2.81Å; N53-N70 WeakPolarHBondContact CA-OD1 3.46Å
54E82.2Confident73.6Confident17 Ų1787.3 Ų87.38%0.07948%0.481CS..Hα-helixtrans-67.7-21.9-177.8-62.188.7177.100113.1I52 E56 T57 I58 N70 G74 Y75I52-E54 HydrophobicContact CG2-CG 4.41Å; I52-E54 PolarHBondContact O-N 3.44Å; E54-E56 PolarHBondContact O-N 2.8Å; E54-T57 VanDerWaalsContact CA-OG1 3.3Å; E54-T57 WeakPolarHBondContact CA-OG1 3.39Å; E54-T57 PolarHBondContact O-N 2.93Å; E54-I58 HydrophobicContact CB-CD1 3.92Å; E54-I58 HydrophobicContact CB-CG1 4.26Å; E54-I58 HydrophobicContact CG-CD1 4.16Å; E54-I58 WeakPolarHBondContact O-CB 2.96Å; E54-I58 PolarHBondContact O-N 2.04Å; E54-N70 PolarHBondContact OE2-OD1 2.86Å; E54-G74 WeakPolarHBondContact OE1-CA 3Å; E54-G74 VanDerWaalsContact OE2-CA 3.29Å; E54-G74 WeakPolarHBondContact OE2-CA 3.47Å; E54-Y75 HydrophobicContact CB-CD1 3.38Å; E54-Y75 HydrophobicContact CB-CE1 4.07Å; E54-Y75 HydrophobicContact CB-CG 4.03Å; E54-Y75 HydrophobicContact CG-CD1 3.93Å; E54-Y75 PolarHBondContact OE2-N 3.42Å
55C78.4Confident73.9Confident39 Ų3990.3 Ų90.326%0.26449%0.486SS..Hα-helixtrans-68.2-22.7176-59.90000113.2N53 C68 F69N53-C55 PolarHBondContact O-N 3.41Å; N53-C55 WeakPolarHBondContact OD1-CB 3.48Å; N53-C55 PolarHBondContact OD1-N 2.96Å; C55-C68 WeakPolarHBondContact CA-SG 3.3Å; C55-C68 HydrophobicContact CB-CB 3.77Å; C55-C68 WeakPolarHBondContact CB-SG 3.04Å; C55-C68 WeakPolarHBondContact SG-CB 3.41Å; C55-C68 CovalentContact SG-SG 2.04Å; C55-C68 PolarHBondContact SG-SG 3.36Å; C55-F69 PolarHBondContact SG-N 2.75Å; C55-F69 VanDerWaalsContact SG-N 3.41Å
56E79.9Confident74.2Confident164 Ų16485.9 Ų85.977%0.76646%0.462SS*.Hα-helixtrans-100.2-27176.2-70.2-178.3178.300112.5N53 E54N53-E56 VanDerWaalsContact ND2-CD 3.3Å; N53-E56 PolarHBondContact ND2-OE1 3.35Å; N53-E56 PolarHBondContact O-N 2.94Å; E54-E56 PolarHBondContact O-N 2.8Å
57T75.4Confident74.5Confident90 Ų9088.9 Ų88.955%0.55247%0.47SS*.Hα-helixtrans-94.9-21.6-173.951.40000113.9I52 N53 E54I52-T57 HydrophobicContact CG2-CG2 4.32Å; N53-T57 PolarHBondContact O-N 3.06Å; N53-T57 PolarHBondContact O-OG1 2.81Å; E54-T57 VanDerWaalsContact CA-OG1 3.3Å; E54-T57 WeakPolarHBondContact CA-OG1 3.39Å; E54-T57 PolarHBondContact O-N 2.93Å
58I73.6Confident75.1Confident75 Ų7583.4 Ų83.439%0.38545%0.447SS..SBendtrans-108.6110.7176.4-53.5-179.5000110E54 D60 A61 Y75E54-I58 HydrophobicContact CB-CD1 3.92Å; E54-I58 HydrophobicContact CB-CG1 4.26Å; E54-I58 HydrophobicContact CG-CD1 4.16Å; E54-I58 WeakPolarHBondContact O-CB 2.96Å; E54-I58 PolarHBondContact O-N 2.04Å; I58-D60 PolarHBondContact O-N 2.92Å; I58-A61 HydrophobicContact CB-CB 4.1Å; I58-A61 HydrophobicContact CG2-CB 4.29Å; I58-A61 PolarHBondContact O-N 2.7Å; I58-Y75 HydrophobicContact CD1-CE1 4.29Å
59P64.6Low75.2Confident121 Ų12181.4 Ų81.479%0.78644%0.437SS*.THydrogen-bonded Turntrans-60.7127.9174-18.430000110.5A61P59-A61 PolarHBondContact O-N 3.16Å
60D70Confident75.2Confident149 Ų14982 Ų8280%0.79744%0.437SS*.THydrogen-bonded Turntrans56.442.2-175.5-62.1-35.8000114.3I58 C62I58-D60 PolarHBondContact O-N 2.92Å; D60-C62 PolarHBondContact O-N 2.85Å
61A68.7Low75.3Confident16 Ų1683.6 Ų83.613%0.13245%0.445CS..  trans-47.1-34.4177.200000113.7I58 P59 Y75I58-A61 HydrophobicContact CB-CB 4.1Å; I58-A61 HydrophobicContact CG2-CB 4.29Å; I58-A61 PolarHBondContact O-N 2.7Å; P59-A61 PolarHBondContact O-N 3.16Å; A61-Y75 HydrophobicContact CB-CD2 4.15Å; A61-Y75 HydrophobicContact CB-CE2 3.86Å; A61-Y75 VanDerWaalsContact O-CE2 3.25Å; A61-Y75 WeakPolarHBondContact O-CE2 3.24Å; A61-Y75 PolarHBondContact O-OH 3.07Å
62C75.1Confident75.3Confident19 Ų1990.9 Ų90.913%0.12847%0.471CS..SBendtrans-114.4125.6174.5-590000111.3D60 M66 C68 C77D60-C62 PolarHBondContact O-N 2.85Å; C62-M66 HydrophobicContact CB-CB 3.99Å; C62-C68 VanDerWaalsContact SG-CA 3.55Å; C62-C68 VanDerWaalsContact SG-CB 3.52Å; C62-C77 VanDerWaalsContact CA-SG 3.55Å; C62-C77 HydrophobicContact CB-CB 3.8Å; C62-C77 WeakPolarHBondContact CB-SG 3.42Å; C62-C77 VanDerWaalsContact SG-CA 3.51Å; C62-C77 WeakPolarHBondContact SG-CB 3.2Å; C62-C77 CovalentContact SG-SG 2.02Å; C62-C77 PolarHBondContact SG-SG 2.88Å
63K69.9Low74.7Confident193 Ų19390.1 Ų90.184%0.83948%0.476SS*.  trans-83.7140176.1-68.2-179-179.9177.30111.7
64G72.4Confident74.7Confident73 Ų7388.8 Ų88.875%0.75347%0.473SS*.SBendtrans89.2-149.9174.800000114.2M66G64-M66 PolarHBondContact O-N 2.82Å; G64-M66 VanDerWaalsContact O-N 3.17Å
65E68.8Low74.7Confident159 Ų15992.5 Ų92.574%0.74349%0.487SS*.SBendtrans-84.230.6179.8-62.1-168.2162.300113.9R80E65-R80 PolarHBondContact O-N 2.75Å
66M75.9Confident74.6Confident71 Ų7195.2 Ų95.235%0.3550%0.498SS..EExtended strand (participates in β ladder)trans-100.3138.2-175.6-58.2-71.5-84.900110.3C62 G64 C77 L78 P79C62-M66 HydrophobicContact CB-CB 3.99Å; G64-M66 PolarHBondContact O-N 2.82Å; G64-M66 VanDerWaalsContact O-N 3.17Å; M66-C77 HydrophobicContact CB-CB 4.18Å; M66-C77 HydrophobicContact CE-CB 4.15Å; M66-C77 WeakPolarHBondContact CE-O 3.26Å; M66-L78 CarbonylContact C-O 3.56Å; M66-L78 WeakPolarHBondContact CA-O 3.44Å; M66-P79 VanDerWaalsContact SD-CA 3.53Å; M66-P79 HydrophobicContact SD-CB 3.76Å; M66-P79 HydrophobicContact SD-CG 4.31Å; M66-P79 VanDerWaalsContact SD-N 3.4Å
67K80.3Confident74.6Confident122 Ų12289.3 Ų89.353%0.5348%0.475SS..EExtended strand (participates in β ladder)trans-99.4133.8174.4-168.7177.1-179.8-174.80109.7F69 L78K67-F69 HydrophobicContact CB-CE2 4.06Å; K67-F69 HydrophobicContact CD-CE2 4.39Å; K67-F69 HydrophobicContact CD-CZ 4.1Å; K67-F69 HydrophobicContact CG-CE2 4.22Å; K67-F69 HydrophobicContact CG-CZ 4.4Å; K67-F69 WeakPolarHBondContact O-CD2 3.05Å; K67-L78 PolarHBondContact N-O 3.4Å; K67-L78 PolarHBondContact O-N 2.87Å
68C78.9Confident74.4Confident31 Ų3187.8 Ų87.821%0.20946%0.463CS..EExtended strand (participates in β ladder)trans-79.7136.8177.3-168.40000111.1C55 C62 Y75C55-C68 WeakPolarHBondContact CA-SG 3.3Å; C55-C68 HydrophobicContact CB-CB 3.77Å; C55-C68 WeakPolarHBondContact CB-SG 3.04Å; C55-C68 WeakPolarHBondContact SG-CB 3.41Å; C55-C68 CovalentContact SG-SG 2.04Å; C55-C68 PolarHBondContact SG-SG 3.36Å; C62-C68 VanDerWaalsContact SG-CA 3.55Å; C62-C68 VanDerWaalsContact SG-CB 3.52Å; C68-Y75 VanDerWaalsContact SG-CD2 3.59Å
69F79.1Confident74.2Confident92 Ų9287 Ų8740%0.40446%0.463SS..EExtended strand (participates in β ladder)trans-128.3128.9172.1-66-91.9000109.5C55 K67 Y75 L76 L78C55-F69 PolarHBondContact SG-N 2.75Å; C55-F69 VanDerWaalsContact SG-N 3.41Å; K67-F69 HydrophobicContact CB-CE2 4.06Å; K67-F69 HydrophobicContact CD-CE2 4.39Å; K67-F69 HydrophobicContact CD-CZ 4.1Å; K67-F69 HydrophobicContact CG-CE2 4.22Å; K67-F69 HydrophobicContact CG-CZ 4.4Å; K67-F69 WeakPolarHBondContact O-CD2 3.05Å; F69-Y75 WeakPolarHBondContact O-CA 3.19Å; F69-L76 PolarHBondContact N-O 3.35Å; F69-L76 PolarHBondContact O-N 3.05Å; F69-L78 HydrophobicContact CD2-CB 4.3Å; F69-L78 HydrophobicContact CD2-CD1 4.17Å; F69-L78 HydrophobicContact CD2-CG 4.42Å; F69-L78 HydrophobicContact CE2-CB 4.04Å; F69-L78 HydrophobicContact CE2-CD1 4.21Å
70N73.5Confident74.1Confident68 Ų6890.7 Ų90.736%0.36446%0.461SS..EExtended strand (participates in β ladder)trans-70138.9176.7-164.343.9000111D51 I52 N53 E54D51-N70 PolarHBondContact OD2-ND2 3.25Å; I52-N70 PolarHBondContact O-OD1 3.31Å; N53-N70 WeakPolarHBondContact CA-OD1 3.46Å; E54-N70 PolarHBondContact OE2-OD1 2.86Å
71H80.4Confident73.7Confident124 Ų12488.6 Ų88.657%0.57446%0.458SS*.EExtended strand (participates in β ladder)trans-140.5160.8179.2-165.863.6000110.2D51 G73 G74D51-H71 VanDerWaalsContact OD1-O 3.14Å; H71-G73 PolarHBondContact O-N 2.75Å; H71-G74 CarbonylContact C-O 3.54Å; H71-G74 VanDerWaalsContact C-O 3.29Å; H71-G74 WeakPolarHBondContact CA-O 3.14Å; H71-G74 PolarHBondContact N-O 2.6Å; H71-G74 PolarHBondContact O-N 3.39Å; H71-G74 VanDerWaalsContact O-N 3.14Å
72Y75.8Confident72.7Confident190 Ų19090.5 Ų90.575%0.74547%0.473SS*.THydrogen-bonded Turntrans-63.6112.5-177.6-68.1-74.9000111.2
73G68.1Low71.4Confident33 Ų3395 Ų9534%0.3451%0.505SS..THydrogen-bonded Turntrans83.818.7179.100000115.1Y40 D51 H71Y40-G73 VanDerWaalsContact CZ-CA 3.46Å; Y40-G73 VanDerWaalsContact CZ-N 3.33Å; Y40-G73 WeakPolarHBondContact OH-CA 3.31Å; Y40-G73 PolarHBondContact OH-N 3.2Å; D51-G73 PolarHBondContact OD1-N 2.81Å; H71-G73 PolarHBondContact O-N 2.75Å
74G78.5Confident70.2Confident19 Ų1991.6 Ų91.620%0.19650%0.5CS..EExtended strand (participates in β ladder)trans163.1-165.4176.300000114E54 H71E54-G74 WeakPolarHBondContact OE1-CA 3Å; E54-G74 VanDerWaalsContact OE2-CA 3.29Å; E54-G74 WeakPolarHBondContact OE2-CA 3.47Å; H71-G74 CarbonylContact C-O 3.54Å; H71-G74 VanDerWaalsContact C-O 3.29Å; H71-G74 WeakPolarHBondContact CA-O 3.14Å; H71-G74 PolarHBondContact N-O 2.6Å; H71-G74 PolarHBondContact O-N 3.39Å; H71-G74 VanDerWaalsContact O-N 3.14Å
75Y81.3Confident68.9Low94 Ų9495.3 Ų95.337%0.36950%0.502SS..EExtended strand (participates in β ladder)trans-125.6151.4179.365.5-78.9000112.8E54 I58 A61 C68 F69E54-Y75 HydrophobicContact CB-CD1 3.38Å; E54-Y75 HydrophobicContact CB-CE1 4.07Å; E54-Y75 HydrophobicContact CB-CG 4.03Å; E54-Y75 HydrophobicContact CG-CD1 3.93Å; E54-Y75 PolarHBondContact OE2-N 3.42Å; I58-Y75 HydrophobicContact CD1-CE1 4.29Å; A61-Y75 HydrophobicContact CB-CD2 4.15Å; A61-Y75 HydrophobicContact CB-CE2 3.86Å; A61-Y75 VanDerWaalsContact O-CE2 3.25Å; A61-Y75 WeakPolarHBondContact O-CE2 3.24Å; A61-Y75 PolarHBondContact O-OH 3.07Å; C68-Y75 VanDerWaalsContact SG-CD2 3.59Å; F69-Y75 WeakPolarHBondContact O-CA 3.19Å
76L77.4Confident67.7Low96 Ų9693 Ų9350%0.50350%0.5SS..EExtended strand (participates in β ladder)trans-112.2129.3176.6-164.175000110.6F69 L78F69-L76 PolarHBondContact N-O 3.35Å; F69-L76 PolarHBondContact O-N 3.05Å; L76-L78 HydrophobicContact CD2-CD1 3.9Å; L76-L78 HydrophobicContact CD2-CD2 3.99Å; L76-L78 HydrophobicContact CD2-CG 3.89Å; L76-L78 HydrophobicContact CG-CD2 4.37Å; L76-L78 HydrophobicContact CG-CG 4.22Å
77C78.5Confident66Low41 Ų4193.9 Ų93.928%0.27752%0.519SS..EExtended strand (participates in β ladder)trans-98.2120173.3-60.50000110.2C62 M66C62-C77 VanDerWaalsContact CA-SG 3.55Å; C62-C77 HydrophobicContact CB-CB 3.8Å; C62-C77 WeakPolarHBondContact CB-SG 3.42Å; C62-C77 VanDerWaalsContact SG-CA 3.51Å; C62-C77 WeakPolarHBondContact SG-CB 3.2Å; C62-C77 CovalentContact SG-SG 2.02Å; C62-C77 PolarHBondContact SG-SG 2.88Å; M66-C77 HydrophobicContact CB-CB 4.18Å; M66-C77 HydrophobicContact CE-CB 4.15Å; M66-C77 WeakPolarHBondContact CE-O 3.26Å
78L71.4Confident64.2Low58 Ų5894 Ų9430%0.30453%0.532SS..EExtended strand (participates in β ladder)trans-123.8146.3177.5-66.2174.2000111.7M66 K67 F69 L76M66-L78 CarbonylContact C-O 3.56Å; M66-L78 WeakPolarHBondContact CA-O 3.44Å; K67-L78 PolarHBondContact N-O 3.4Å; K67-L78 PolarHBondContact O-N 2.87Å; F69-L78 HydrophobicContact CD2-CB 4.3Å; F69-L78 HydrophobicContact CD2-CD1 4.17Å; F69-L78 HydrophobicContact CD2-CG 4.42Å; F69-L78 HydrophobicContact CE2-CB 4.04Å; F69-L78 HydrophobicContact CE2-CD1 4.21Å; L76-L78 HydrophobicContact CD2-CD1 3.9Å; L76-L78 HydrophobicContact CD2-CD2 3.99Å; L76-L78 HydrophobicContact CD2-CG 3.89Å; L76-L78 HydrophobicContact CG-CD2 4.37Å; L76-L78 HydrophobicContact CG-CG 4.22Å
79P69.9Low62.6Low58 Ų58101.3 Ų101.338%0.37756%0.563SS.*EExtended strand (participates in β ladder)trans-68.4145179.725.4-30.5000111.7M66 S81 A82M66-P79 VanDerWaalsContact SD-CA 3.53Å; M66-P79 HydrophobicContact SD-CB 3.76Å; M66-P79 HydrophobicContact SD-CG 4.31Å; M66-P79 VanDerWaalsContact SD-N 3.4Å; P79-S81 PolarHBondContact O-N 2.95Å; P79-A82 HydrophobicContact CG-CB 4.35Å; P79-A82 PolarHBondContact O-N 2.94Å; P79-A82 VanDerWaalsContact O-N 3.09Å
80R62.1Low60.8Low199 Ų199102.6 Ų102.675%0.75158%0.581SS**THydrogen-bonded Turntrans-55.8-16.5-177.1-85.5-173.1167.3116.2-0.1115.5E65E65-R80 PolarHBondContact O-N 2.75Å
81S61.2Low59.1Low105 Ų105103.5 Ų103.573%0.73460%0.597SS**THydrogen-bonded Turntrans-99.31.9-17845.10000114.9P79 S83P79-S81 PolarHBondContact O-N 2.95Å; S81-S83 PolarHBondContact O-N 2.83Å
82A47.8Very low57.5Low55 Ų55105.7 Ų105.746%0.45561%0.612SS.*  trans-75.3109.7176.300000111.1P79 V84P79-A82 HydrophobicContact CG-CB 4.35Å; P79-A82 PolarHBondContact O-N 2.94Å; P79-A82 VanDerWaalsContact O-N 3.09Å; A82-V84 PolarHBondContact O-N 2.82Å
83S48.8Very low55.7Low113 Ų113102.2 Ų102.279%0.7961%0.61SS**  trans-78.5109.9170.6-59.80000108.9S81 I85S81-S83 PolarHBondContact O-N 2.83Å; S83-I85 PolarHBondContact O-N 2.8Å
84V44.7Very low54.8Low122 Ų122105.9 Ų105.974%0.73963%0.628SS**  trans-70.3111.2170.9179.70000107.5A82A82-V84 PolarHBondContact O-N 2.82Å
85I44.5Very low53.2Low152 Ų152111.5 Ų111.578%0.77966%0.659SS**PPolyproline II helixtrans-70.2125.5167.3-58.3173.9000106.5S83 A87S83-I85 PolarHBondContact O-N 2.8Å; I85-A87 PolarHBondContact O-N 2.96Å
86P43.4Very low51.4Low109 Ų109112.9 Ų112.971%0.70868%0.679SS**PPolyproline II helixtrans-63.1127173.4-14.828000109.1
87A40.9Very low50Low91 Ų91112.5 Ų112.575%0.75269%0.69SS**PPolyproline II helixtrans-58.6135.1162.100000108.3I85I85-A87 PolarHBondContact O-N 2.96Å
88P43.3Very low48.7Very low124 Ų124120.1 Ų120.181%0.80572%0.719SS**PPolyproline II helixtrans-63.6140.2179.625.4-31.3000110.5
89E44Very low48.1Very low185 Ų185123.4 Ų123.486%0.86474%0.737SS**PPolyproline II helixtrans-54.9144.1172.4-73.2178.2162.600111.2A91E89-A91 PolarHBondContact O-N 2.89Å
90P42.4Very low48.1Very low118 Ų118124.3 Ų124.377%0.76674%0.743SS**PPolyproline II helixtrans-69.2132.3-179.428.4-32.2000110.5I92P90-I92 PolarHBondContact O-N 3.09Å
91A37.4Very low48.5Very low87 Ų87115.9 Ų115.972%0.71971%0.714SS**  trans-64.5115.716900000109.7E89 T93E89-A91 PolarHBondContact O-N 2.89Å; A91-T93 PolarHBondContact O-N 3.34Å
92I46.9Very low49.5Very low171 Ų171115 Ų11588%0.87771%0.705SS**  trans-66.4103.6166.8-58.6170.3000107.1P90P90-I92 PolarHBondContact O-N 3.09Å
93T37.8Very low51Low116 Ų116120.4 Ų120.471%0.71273%0.726SS**  trans-114.3146.7158.738.50000107.8A91A91-T93 PolarHBondContact O-N 3.34Å
94P48Very low52.5Low110 Ų110116 Ų11671%0.71470%0.698SS**  trans-67.8139.1-158.328-33.4000110.7P96P94-P96 WeakPolarHBondContact O-CD 3.43Å
95T44.9Very low54.4Low138 Ų138113 Ų11385%0.84767%0.674SS**  trans-32.5123.216646.90000112.9
96P45.3Very low56.3Low122 Ų122109.8 Ų109.879%0.79266%0.655SS**  trans-92.7133.5137.118.4-0.4000108.3P94P94-P96 WeakPolarHBondContact O-CD 3.43Å
97A46.2Very low58.1Low88 Ų88107.6 Ų107.673%0.72764%0.641SS**  trans6.2134.3164.100000119.3N99A97-N99 PolarHBondContact O-N 3.19Å
98F52.3Low60.1Low201 Ų201109.6 Ų109.688%0.88264%0.635SS**  trans-24.1110.2149.8-106-102.7000110.9P100F98-P100 WeakPolarHBondContact O-CD 3.38Å
99N58Low61.8Low127 Ų127107 Ų10768%0.67963%0.63SS**  trans-96.399.8162.9-138.39.3000104.7A97 C101A97-N99 PolarHBondContact O-N 3.19Å; N99-C101 PolarHBondContact O-N 3.48Å; N99-C101 VanDerWaalsContact O-N 3.11Å
100P70.4Confident63.3Low78 Ų78107 Ų10751%0.50664%0.636SS.*  trans-78.69.5-16531.1-34.6000114F98 P107F98-P100 WeakPolarHBondContact O-CD 3.38Å; P100-P107 HydrophobicContact CG-CB 3.71Å
101C70.9Confident65Low22 Ų22104.2 Ų104.215%0.14962%0.62CS.*SBendtrans-125.8145.9-170-65.20000113.8N99 C112N99-C101 PolarHBondContact O-N 3.48Å; N99-C101 VanDerWaalsContact O-N 3.11Å; C101-C112 WeakPolarHBondContact CA-SG 3.49Å; C101-C112 HydrophobicContact CB-CB 3.71Å; C101-C112 WeakPolarHBondContact CB-SG 3.41Å; C101-C112 WeakPolarHBondContact SG-CA 3.5Å; C101-C112 WeakPolarHBondContact SG-CB 3.4Å; C101-C112 CovalentContact SG-SG 2.04Å; C101-C112 PolarHBondContact SG-SG 3.02Å
102P81.1Confident67.3Low85 Ų85102.5 Ų102.555%0.55260%0.602SS**  trans-58.5161.9173.9-21.632.8000113.1G104 Y105P102-G104 PolarHBondContact O-N 3.45Å; P102-Y105 HydrophobicContact CB-CD2 4.05Å; P102-Y105 HydrophobicContact CG-CD2 4.5Å; P102-Y105 WeakPolarHBondContact O-CB 3.49Å; P102-Y105 PolarHBondContact O-N 3.43Å; P102-Y105 VanDerWaalsContact O-N 3.08Å
103L79.6Confident69.2Low170 Ų17097.4 Ų97.489%0.8958%0.579SS**THydrogen-bonded Turntrans-55.7136.2173.2-69.5171000110.5
104G79.7Confident71.7Confident19 Ų1993.5 Ų93.520%0.19655%0.553CS.*THydrogen-bonded Turntrans85.94.6-172.900000114.6P102 I115P102-G104 PolarHBondContact O-N 3.45Å; G104-I115 WeakPolarHBondContact O-CB 3.41Å; G104-I115 PolarHBondContact O-N 3.13Å
105Y85.3Confident73.7Confident61 Ų6189.8 Ų89.824%0.23953%0.527CS..EExtended strand (participates in β ladder)trans-128.6142.5178.6-64.2-100.5000112P102 C112 V113 D114 L135 G136P102-Y105 HydrophobicContact CB-CD2 4.05Å; P102-Y105 HydrophobicContact CG-CD2 4.5Å; P102-Y105 WeakPolarHBondContact O-CB 3.49Å; P102-Y105 PolarHBondContact O-N 3.43Å; P102-Y105 VanDerWaalsContact O-N 3.08Å; Y105-C112 HydrophobicContact CD1-CB 4.21Å; Y105-C112 HydrophobicContact CG-CB 4.4Å; Y105-V113 CarbonylContact C-O 3.54Å; Y105-V113 VanDerWaalsContact CA-O 3.25Å; Y105-V113 WeakPolarHBondContact CA-O 3.45Å; Y105-V113 WeakPolarHBondContact CB-O 3.45Å; Y105-D114 HydrophobicContact CD1-CB 4.36Å; Y105-D114 HydrophobicContact CE1-CB 4.15Å; Y105-L135 WeakPolarHBondContact OH-CB 3.45Å; Y105-L135 PolarHBondContact OH-O 2.04Å; Y105-G136 PolarHBondContact OH-N 2.68Å
106E85Confident75.8Confident83 Ų8385.2 Ų85.239%0.38850%0.498SS..EExtended strand (participates in β ladder)trans-108146.4173.664.4175.9-161.800112H108 V113 I115 R120E106-H108 PolarHBondContact O-N 2.99Å; E106-V113 PolarHBondContact N-O 3.33Å; E106-V113 PolarHBondContact O-N 3.15Å; E106-I115 HydrophobicContact CB-CD1 4.13Å; E106-I115 HydrophobicContact CB-CG1 3.84Å; E106-I115 HydrophobicContact CG-CG1 3.99Å; E106-R120 IonicContact OE2-NH1 2.76Å; E106-R120 PolarHBondContact OE2-NH1 3.36Å
107P80.4Confident78Confident63 Ų6380.3 Ų80.341%0.40946%0.464SS..EExtended strand (participates in β ladder)trans-75121.5-178.729-33.9000112P100P100-P107 HydrophobicContact CG-CB 3.71Å
108H82.7Confident80.2Confident133 Ų13377.7 Ų77.762%0.61644%0.44SS*.EExtended strand (participates in β ladder)trans-122.390.9171.8-166.580.5000109.7E106 D110 S111 V113E106-H108 PolarHBondContact O-N 2.99Å; H108-D110 PolarHBondContact O-N 3.19Å; H108-S111 CarbonylContact C-O 3.29Å; H108-S111 PolarHBondContact N-O 3.23Å; H108-S111 PolarHBondContact O-N 3.22Å; H108-S111 VanDerWaalsContact O-O 3.1Å; H108-S111 PolarHBondContact O-OG 3.47Å; H108-V113 HydrophobicContact CB-CB 4.43Å; H108-V113 HydrophobicContact CB-CG2 3.63Å
109G79.5Confident82Confident69 Ų6976.1 Ų76.171%0.71144%0.436SS*.THydrogen-bonded Turntrans66.9-126.4-172.600000111.8S111G109-S111 VanDerWaalsContact C-N 3.32Å
110D75.7Confident83.4Confident185 Ų18575.5 Ų75.599%0.98942%0.424SS*.THydrogen-bonded Turntrans-90.58.8174.8-69-26.1000112.9H108H108-D110 PolarHBondContact O-N 3.19Å
111S77.5Confident84Confident60 Ų6077.9 Ų77.942%0.4243%0.432SS..EExtended strand (participates in β ladder)trans-122.2149.9-17868.30000112H108 G109H108-S111 CarbonylContact C-O 3.29Å; H108-S111 PolarHBondContact N-O 3.23Å; H108-S111 PolarHBondContact O-N 3.22Å; H108-S111 VanDerWaalsContact O-O 3.1Å; H108-S111 PolarHBondContact O-OG 3.47Å; G109-S111 VanDerWaalsContact C-N 3.32Å
112C85.5Confident84.8Confident52 Ų5282.2 Ų82.235%0.35145%0.45SS..EExtended strand (participates in β ladder)trans-98.8123.7175-62.20000109.1C101 Y105C101-C112 WeakPolarHBondContact CA-SG 3.49Å; C101-C112 HydrophobicContact CB-CB 3.71Å; C101-C112 WeakPolarHBondContact CB-SG 3.41Å; C101-C112 WeakPolarHBondContact SG-CA 3.5Å; C101-C112 WeakPolarHBondContact SG-CB 3.4Å; C101-C112 CovalentContact SG-SG 2.04Å; C101-C112 PolarHBondContact SG-SG 3.02Å; Y105-C112 HydrophobicContact CD1-CB 4.21Å; Y105-C112 HydrophobicContact CG-CB 4.4Å
113V88Confident85Confident64 Ų6480.3 Ų80.339%0.38843%0.434SS..EExtended strand (participates in β ladder)trans-106.2138177-179.10000107.9Y105 E106 H108 I115Y105-V113 CarbonylContact C-O 3.54Å; Y105-V113 VanDerWaalsContact CA-O 3.25Å; Y105-V113 WeakPolarHBondContact CA-O 3.45Å; Y105-V113 WeakPolarHBondContact CB-O 3.45Å; E106-V113 PolarHBondContact N-O 3.33Å; E106-V113 PolarHBondContact O-N 3.15Å; H108-V113 HydrophobicContact CB-CB 4.43Å; H108-V113 HydrophobicContact CB-CG2 3.63Å; V113-I115 PolarHBondContact O-N 3Å
114D90.1Very high85.4Confident33 Ų3379.4 Ų79.418%0.17643%0.43CS..EExtended strand (participates in β ladder)trans-57.1131.7176.7-173.858.8000110.7Y105 D116 N133 L135 G136Y105-D114 HydrophobicContact CD1-CB 4.36Å; Y105-D114 HydrophobicContact CE1-CB 4.15Å; D114-D116 PolarHBondContact O-N 2.8Å; D114-N133 PolarHBondContact OD2-ND2 2.89Å; D114-N133 PolarHBondContact OD2-OD1 2.97Å; D114-L135 HydrophobicContact CB-CD2 4.15Å; D114-L135 WeakPolarHBondContact OD1-CA 3.26Å; D114-G136 PolarHBondContact OD1-N 3.22Å
115I89.6Confident85.8Confident32 Ų3279.3 Ų79.316%0.16443%0.426CS..  trans-80.9114.3172.9-63.4171.6000106.5G104 E106 V113 E117G104-I115 WeakPolarHBondContact O-CB 3.41Å; G104-I115 PolarHBondContact O-N 3.13Å; E106-I115 HydrophobicContact CB-CD1 4.13Å; E106-I115 HydrophobicContact CB-CG1 3.84Å; E106-I115 HydrophobicContact CG-CG1 3.99Å; V113-I115 PolarHBondContact O-N 3Å; I115-E117 HydrophobicContact CG2-CG 4.22Å; I115-E117 PolarHBondContact O-N 2.85Å; I115-E117 VanDerWaalsContact O-OE2 3.11Å
116D89.6Confident85.9Confident43 Ų4380.7 Ų80.723%0.2344%0.435CS..  trans-76.592.8171.7-162-47000110D114 C118 E119 R120 N133D114-D116 PolarHBondContact O-N 2.8Å; D116-C118 PolarHBondContact O-N 2.82Å; D116-C118 WeakPolarHBondContact OD1-CA 3.39Å; D116-C118 VanDerWaalsContact OD1-CB 3.25Å; D116-C118 WeakPolarHBondContact OD1-CB 3.43Å; D116-C118 PolarHBondContact OD1-N 3.37Å; D116-E119 HydrophobicContact CB-CB 4.15Å; D116-E119 HydrophobicContact CB-CG 4.25Å; D116-E119 PolarHBondContact O-N 2.84Å; D116-E119 PolarHBondContact OD1-N 2.77Å; D116-R120 WeakPolarHBondContact O-CG 3.09Å; D116-R120 PolarHBondContact O-N 3.44Å; D116-N133 WeakPolarHBondContact CA-ND2 3.47Å; D116-N133 VanDerWaalsContact CG-ND2 3.25Å; D116-N133 WeakPolarHBondContact OD2-CB 3.38Å; D116-N133 PolarHBondContact OD2-ND2 2.96Å
117E92.3Very high86Confident18 Ų1883 Ų838%0.08446%0.457CS..THydrogen-bonded Turntrans-66.5-20.1179.7-55.194.8165.300112.2I115 D121 E122 N133 F138I115-E117 HydrophobicContact CG2-CG 4.22Å; I115-E117 PolarHBondContact O-N 2.85Å; I115-E117 VanDerWaalsContact O-OE2 3.11Å; E117-D121 PolarHBondContact O-N 3Å; E117-E122 PolarHBondContact O-N 3.22Å; E117-N133 PolarHBondContact OE2-OD1 2.83Å; E117-F138 HydrophobicContact CB-CB 4.38Å; E117-F138 HydrophobicContact CB-CD1 3.85Å; E117-F138 HydrophobicContact CB-CG 4.33Å; E117-F138 HydrophobicContact CG-CD1 3.96Å
118C91.5Very high86.2Confident33 Ų3382.2 Ų82.222%0.22345%0.453CS..THydrogen-bonded Turntrans-76-40.7176.3-53.90000112.7D116 R120 C131 I132 N133D116-C118 PolarHBondContact O-N 2.82Å; D116-C118 WeakPolarHBondContact OD1-CA 3.39Å; D116-C118 VanDerWaalsContact OD1-CB 3.25Å; D116-C118 WeakPolarHBondContact OD1-CB 3.43Å; D116-C118 PolarHBondContact OD1-N 3.37Å; C118-R120 VanDerWaalsContact C-N 3.31Å; C118-C131 WeakPolarHBondContact CA-SG 3.48Å; C118-C131 HydrophobicContact CB-CB 3.73Å; C118-C131 WeakPolarHBondContact CB-SG 3.37Å; C118-C131 WeakPolarHBondContact SG-CB 3.08Å; C118-C131 CovalentContact SG-SG 2.04Å; C118-C131 PolarHBondContact SG-SG 2.99Å; C118-I132 VanDerWaalsContact SG-C 3.56Å; C118-I132 PolarHBondContact SG-N 2.81Å; C118-N133 PolarHBondContact SG-N 3.18Å
119E89.7Confident86.6Confident169 Ų16977.1 Ų77.179%0.7943%0.43SS*.THydrogen-bonded Turntrans-72.3-28.2175-71-164.3161.100112.6D116D116-E119 HydrophobicContact CB-CB 4.15Å; D116-E119 HydrophobicContact CB-CG 4.25Å; D116-E119 PolarHBondContact O-N 2.84Å; D116-E119 PolarHBondContact OD1-N 2.77Å
120R88.6Confident87.1Confident113 Ų11379.4 Ų79.443%0.42642%0.422SS..THydrogen-bonded Turntrans-89.8-4.7-177.9-65.1175.364.8151-4.4114.2E106 D116 C118 E122E106-R120 IonicContact OE2-NH1 2.76Å; E106-R120 PolarHBondContact OE2-NH1 3.36Å; D116-R120 WeakPolarHBondContact O-CG 3.09Å; D116-R120 PolarHBondContact O-N 3.44Å; C118-R120 VanDerWaalsContact C-N 3.31Å; R120-E122 HydrophobicContact CB-CB 4.37Å; R120-E122 HydrophobicContact CB-CG 4Å; R120-E122 IonicContact CZ-OE1 2.69Å; R120-E122 IonicContact NE-OE1 3.95Å; R120-E122 PolarHBondContact NE-OE1 2.76Å; R120-E122 IonicContact NH2-OE1 2.66Å; R120-E122 PolarHBondContact NH2-OE1 3.48Å; R120-E122 IonicContact NH2-OE2 2.88Å; R120-E122 PolarHBondContact O-N 2.69Å
121D83Confident87.9Confident129 Ų12971.7 Ų71.769%0.6938%0.382SS*.THydrogen-bonded Turntrans56.430.6-174.5-154.827.5000112.2E117 H123E117-D121 PolarHBondContact O-N 3Å; D121-H123 IonicContact OD1-CE1 3.84Å; D121-H123 IonicContact OD1-NE2 3.78Å
122E86.3Confident88.6Confident112 Ų11271.8 Ų71.852%0.52338%0.377SS..  trans-100.343.4-179.3-69.2-179.5-148.100110.5E117 R120E117-E122 PolarHBondContact O-N 3.22Å; R120-E122 HydrophobicContact CB-CB 4.37Å; R120-E122 HydrophobicContact CB-CG 4Å; R120-E122 IonicContact CZ-OE1 2.69Å; R120-E122 IonicContact NE-OE1 3.95Å; R120-E122 PolarHBondContact NE-OE1 2.76Å; R120-E122 IonicContact NH2-OE1 2.66Å; R120-E122 PolarHBondContact NH2-OE1 3.48Å; R120-E122 IonicContact NH2-OE2 2.88Å; R120-E122 PolarHBondContact O-N 2.69Å
123H86.1Confident88.9Confident46 Ų4671.2 Ų71.221%0.21337%0.371CS..  trans-130155.2-176.46658000113.9D121 C125 C131 F138D121-H123 IonicContact OD1-CE1 3.84Å; D121-H123 IonicContact OD1-NE2 3.78Å; H123-C125 PolarHBondContact ND1-N 3.29Å; H123-C125 PolarHBondContact O-N 3.11Å; H123-C131 PolarHBondContact CD2-SG 2.64Å; H123-F138 HydrophobicContact CB-CD1 4.41Å; H123-F138 HydrophobicContact CB-CD2 3.79Å; H123-F138 HydrophobicContact CB-CE1 4.31Å; H123-F138 HydrophobicContact CB-CE2 3.67Å; H123-F138 HydrophobicContact CB-CG 4.17Å; H123-F138 HydrophobicContact CB-CZ 3.95Å
124D87.4Confident89Confident150 Ų15071.1 Ų71.180%0.80237%0.37SS*.  trans-95.920.5177.9-66.4-35.8000113.8
125C87.6Confident89Confident17 Ų1776.4 Ų76.412%0.11540%0.398CS..  trans-65.5139177.5-58.30000112.2H123 Q129 C140H123-C125 PolarHBondContact ND1-N 3.29Å; H123-C125 PolarHBondContact O-N 3.11Å; C125-Q129 HydrophobicContact CB-CB 4.44Å; C125-C140 WeakPolarHBondContact CA-SG 3.3Å; C125-C140 HydrophobicContact CB-CB 3.73Å; C125-C140 WeakPolarHBondContact CB-SG 3.49Å; C125-C140 VanDerWaalsContact SG-CA 3.58Å; C125-C140 WeakPolarHBondContact SG-CB 3.42Å; C125-C140 CovalentContact SG-SG 2.03Å; C125-C140 PolarHBondContact SG-SG 3.15Å
126Q88.4Confident88.9Confident90 Ų9076 Ų7642%0.42140%0.401SS..  trans-69.4153.6175.5-67.2-65.7-37.900111S128 Q129Q126-S128 PolarHBondContact O-N 2.93Å; Q126-Q129 HydrophobicContact CB-CG 4.3Å; Q126-Q129 WeakPolarHBondContact O-CB 3.4Å; Q126-Q129 PolarHBondContact O-N 2.81Å
127P86.4Confident88.9Confident133 Ų13376 Ų7686%0.86441%0.407SS*.THydrogen-bonded Turntrans-57.7-23.1-179-26.434.6000115.1Q129P127-Q129 VanDerWaalsContact C-N 3.35Å
128S85.7Confident88.8Confident45 Ų4578.4 Ų78.432%0.31542%0.418SS..THydrogen-bonded Turntrans-85.9-2.9176.669.30000114Q126 P143 C153Q126-S128 PolarHBondContact O-N 2.93Å; S128-P143 WeakPolarHBondContact O-CD 2.91Å; S128-C153 WeakPolarHBondContact O-CB 3.48Å; S128-C153 PolarHBondContact O-SG 2.93Å; S128-C153 VanDerWaalsContact O-SG 3.33Å; S128-C153 PolarHBondContact OG-N 2.92Å; S128-C153 VanDerWaalsContact OG-N 3.17Å
129Q89.6Confident88.7Confident27 Ų2780.5 Ų80.513%0.12643%0.427CS..SBendtrans-107.7151.1-177.1-69.5168-7.200110.6C125 Q126 P127 C140 Q141 T151 C153C125-Q129 HydrophobicContact CB-CB 4.44Å; Q126-Q129 HydrophobicContact CB-CG 4.3Å; Q126-Q129 WeakPolarHBondContact O-CB 3.4Å; Q126-Q129 PolarHBondContact O-N 2.81Å; P127-Q129 VanDerWaalsContact C-N 3.35Å; Q129-C140 HydrophobicContact CB-CB 4.26Å; Q129-C140 VanDerWaalsContact OE1-CB 3.31Å; Q129-Q141 CarbonylContact C-O 3.55Å; Q129-Q141 WeakPolarHBondContact CA-O 3.3Å; Q129-T151 PolarHBondContact NE2-O 2.85Å; Q129-C153 WeakPolarHBondContact CG-SG 3.36Å
130Q91Very high88.8Confident116 Ų11673.7 Ų73.754%0.54240%0.397SS..EExtended strand (participates in β ladder)trans-95.5125.4170.7-173.5168.833.700109.3Q141Q130-Q141 PolarHBondContact N-O 3.43Å; Q130-Q141 PolarHBondContact O-N 2.96Å
131C91.9Very high88.9Confident24 Ų2472.6 Ų72.616%0.16240%0.397CS..EExtended strand (participates in β ladder)trans-72.8128.8168.9-173.20000109.1C118 H123C118-C131 WeakPolarHBondContact CA-SG 3.48Å; C118-C131 HydrophobicContact CB-CB 3.73Å; C118-C131 WeakPolarHBondContact CB-SG 3.37Å; C118-C131 WeakPolarHBondContact SG-CB 3.08Å; C118-C131 CovalentContact SG-SG 2.04Å; C118-C131 PolarHBondContact SG-SG 2.99Å; H123-C131 PolarHBondContact CD2-SG 2.64Å
132I92.6Very high89.3Confident62 Ų6267.9 Ų67.932%0.31837%0.374SS..EExtended strand (participates in β ladder)trans-121.4113.4173.9-59.3174.7000107.1C118 N139 Q141C118-I132 VanDerWaalsContact SG-C 3.56Å; C118-I132 PolarHBondContact SG-N 2.81Å; I132-N139 PolarHBondContact N-O 3.04Å; I132-N139 PolarHBondContact O-N 3.02Å; I132-Q141 HydrophobicContact CD1-CB 3.97Å; I132-Q141 HydrophobicContact CD1-CG 3.94Å
133N91.8Very high89.6Confident40 Ų4064.7 Ų64.721%0.21436%0.363CS..EExtended strand (participates in β ladder)trans-68.7140.2176.6-177.130.1000110.5D114 D116 E117 C118 A137D114-N133 PolarHBondContact OD2-ND2 2.89Å; D114-N133 PolarHBondContact OD2-OD1 2.97Å; D116-N133 WeakPolarHBondContact CA-ND2 3.47Å; D116-N133 VanDerWaalsContact CG-ND2 3.25Å; D116-N133 WeakPolarHBondContact OD2-CB 3.38Å; D116-N133 PolarHBondContact OD2-ND2 2.96Å; E117-N133 PolarHBondContact OE2-OD1 2.83Å; C118-N133 PolarHBondContact SG-N 3.18Å; N133-A137 PolarHBondContact OD1-O 3.34Å
134T90.6Very high89.8Confident62 Ų6274 Ų7438%0.3840%0.396SS..EExtended strand (participates in β ladder)trans-135.6157.9177.463.10000109.4G136 A137T134-G136 PolarHBondContact O-N 3.24Å; T134-A137 CarbonylContact C-O 3.55Å; T134-A137 VanDerWaalsContact C-O 3.22Å; T134-A137 VanDerWaalsContact CA-O 3.24Å; T134-A137 WeakPolarHBondContact CA-O 3.42Å; T134-A137 WeakPolarHBondContact CB-O 3.38Å; T134-A137 PolarHBondContact N-O 3.31Å; T134-A137 CarbonylContact O-C 3.53Å; T134-A137 PolarHBondContact O-N 3.17Å; T134-A137 VanDerWaalsContact OG1-C 3.32Å; T134-A137 PolarHBondContact OG1-O 3.01Å
135L89.9Confident89.9Confident143 Ų14367.8 Ų67.875%0.74937%0.368SS*.THydrogen-bonded Turntrans-61108.6-176.9-66.8176.7000111.8Y105 D114Y105-L135 WeakPolarHBondContact OH-CB 3.45Å; Y105-L135 PolarHBondContact OH-O 2.04Å; D114-L135 HydrophobicContact CB-CD2 4.15Å; D114-L135 WeakPolarHBondContact OD1-CA 3.26Å
136G86Confident90.2Very high23 Ų2370.3 Ų70.324%0.23738%0.376CS..THydrogen-bonded Turntrans83.38.9179.800000115.9Y105 D114 T134Y105-G136 PolarHBondContact OH-N 2.68Å; D114-G136 PolarHBondContact OD1-N 3.22Å; T134-G136 PolarHBondContact O-N 3.24Å
137A89.6Confident90.3Very high44 Ų4468.4 Ų68.436%0.36437%0.372SS..EExtended strand (participates in β ladder)trans-168.3172.317900000112.3N133 T134N133-A137 PolarHBondContact OD1-O 3.34Å; T134-A137 CarbonylContact C-O 3.55Å; T134-A137 VanDerWaalsContact C-O 3.22Å; T134-A137 VanDerWaalsContact CA-O 3.24Å; T134-A137 WeakPolarHBondContact CA-O 3.42Å; T134-A137 WeakPolarHBondContact CB-O 3.38Å; T134-A137 PolarHBondContact N-O 3.31Å; T134-A137 CarbonylContact O-C 3.53Å; T134-A137 PolarHBondContact O-N 3.17Å; T134-A137 VanDerWaalsContact OG1-C 3.32Å; T134-A137 PolarHBondContact OG1-O 3.01Å
138F90.6Very high90.5Very high68 Ų6868.4 Ų68.430%0.29836%0.358SS..EExtended strand (participates in β ladder)trans-116.9161168.964.4-83.1000112.5E117 H123E117-F138 HydrophobicContact CB-CB 4.38Å; E117-F138 HydrophobicContact CB-CD1 3.85Å; E117-F138 HydrophobicContact CB-CG 4.33Å; E117-F138 HydrophobicContact CG-CD1 3.96Å; H123-F138 HydrophobicContact CB-CD1 4.41Å; H123-F138 HydrophobicContact CB-CD2 3.79Å; H123-F138 HydrophobicContact CB-CE1 4.31Å; H123-F138 HydrophobicContact CB-CE2 3.67Å; H123-F138 HydrophobicContact CB-CG 4.17Å; H123-F138 HydrophobicContact CB-CZ 3.95Å
139N90.2Very high90.6Very high77 Ų7770.3 Ų70.341%0.41237%0.368SS..EExtended strand (participates in β ladder)trans-131.2129.4173-172.24.8000111.4I132 Q141I132-N139 PolarHBondContact N-O 3.04Å; I132-N139 PolarHBondContact O-N 3.02Å; N139-Q141 PolarHBondContact ND2-NE2 3.21Å
140C90.3Very high90.4Very high26 Ų2672 Ų7218%0.17639%0.393CS..EExtended strand (participates in β ladder)trans-92113.4176.6-48.30000110.4C125 Q129C125-C140 WeakPolarHBondContact CA-SG 3.3Å; C125-C140 HydrophobicContact CB-CB 3.73Å; C125-C140 WeakPolarHBondContact CB-SG 3.49Å; C125-C140 VanDerWaalsContact SG-CA 3.58Å; C125-C140 WeakPolarHBondContact SG-CB 3.42Å; C125-C140 CovalentContact SG-SG 2.03Å; C125-C140 PolarHBondContact SG-SG 3.15Å; Q129-C140 HydrophobicContact CB-CB 4.26Å; Q129-C140 VanDerWaalsContact OE1-CB 3.31Å
141Q91.4Very high90Very high91 Ų9170.9 Ų70.943%0.42539%0.394SS..EExtended strand (participates in β ladder)trans-118.8151.8-179.7-62.7-173.414.700111.4Q129 Q130 I132 N139Q129-Q141 CarbonylContact C-O 3.55Å; Q129-Q141 WeakPolarHBondContact CA-O 3.3Å; Q130-Q141 PolarHBondContact N-O 3.43Å; Q130-Q141 PolarHBondContact O-N 2.96Å; I132-Q141 HydrophobicContact CD1-CB 3.97Å; I132-Q141 HydrophobicContact CD1-CG 3.94Å; N139-Q141 PolarHBondContact ND2-NE2 3.21Å
142C92.5Very high89.7Confident30 Ų3075.7 Ų75.720%0.20341%0.414CS..PPolyproline II helixtrans-71.2145.8171.6-68.30000110.5C153C142-C153 WeakPolarHBondContact CA-SG 3.47Å; C142-C153 HydrophobicContact CB-CB 3.76Å; C142-C153 WeakPolarHBondContact CB-SG 3.44Å; C142-C153 VanDerWaalsContact SG-CA 3.59Å; C142-C153 WeakPolarHBondContact SG-CB 3.47Å; C142-C153 CovalentContact SG-SG 2.04Å; C142-C153 PolarHBondContact SG-SG 3.47Å
143P91.5Very high89.7Confident45 Ų4573.5 Ų73.529%0.29240%0.404SS..PPolyproline II helixtrans-53.9156171.4-24.133.3000111.7S128 G145 Y146S128-P143 WeakPolarHBondContact O-CD 2.91Å; P143-G145 PolarHBondContact O-N 3.19Å; P143-Y146 HydrophobicContact CB-CD2 3.93Å; P143-Y146 HydrophobicContact CB-CE2 4.41Å; P143-Y146 WeakPolarHBondContact O-CB 3.31Å; P143-Y146 PolarHBondContact O-N 3.12Å
144R90.8Very high89.6Confident241 Ų24175.6 Ų75.691%0.90942%0.415SS*.THydrogen-bonded Turntrans-55.4134.3175.2-70.4-175.9176.2169.50.5110.2
145G89.6Confident89.8Confident20 Ų2074.4 Ų74.421%0.20641%0.406CS..THydrogen-bonded Turntrans88.40.7-175.500000114.6P143 I156P143-G145 PolarHBondContact O-N 3.19Å; G145-I156 VanDerWaalsContact O-CB 3.26Å; G145-I156 WeakPolarHBondContact O-CB 3.47Å; G145-I156 VanDerWaalsContact O-CG1 3.28Å; G145-I156 WeakPolarHBondContact O-CG1 3.33Å; G145-I156 PolarHBondContact O-N 2.78Å
146Y92.9Very high90Very high70 Ų7070.6 Ų70.628%0.27539%0.386SS..EExtended strand (participates in β ladder)trans-118.1147.6178.5-66.6-105000111.8P143 C153 I154 D155 P172 G173P143-Y146 HydrophobicContact CB-CD2 3.93Å; P143-Y146 HydrophobicContact CB-CE2 4.41Å; P143-Y146 WeakPolarHBondContact O-CB 3.31Å; P143-Y146 PolarHBondContact O-N 3.12Å; Y146-C153 HydrophobicContact CD1-CB 4.46Å; Y146-I154 CarbonylContact C-O 3.52Å; Y146-I154 WeakPolarHBondContact CA-O 3.24Å; Y146-D155 HydrophobicContact CD1-CB 4.11Å; Y146-D155 VanDerWaalsContact CD1-N 3.3Å; Y146-D155 HydrophobicContact CE1-CB 3.81Å; Y146-P172 VanDerWaalsContact OH-CB 3.32Å; Y146-P172 WeakPolarHBondContact OH-CB 3.43Å; Y146-G173 PolarHBondContact OH-N 2.74Å
147S91.6Very high90.3Very high49 Ų4971.7 Ų71.734%0.34339%0.386SS..EExtended strand (participates in β ladder)trans-115.3144.5176.466.50000111.2V149 I154S147-V149 PolarHBondContact O-N 2.98Å; S147-I154 PolarHBondContact N-O 2.81Å; S147-I154 PolarHBondContact O-N 2.92Å; S147-I154 PolarHBondContact OG-O 2.83Å
148K89.8Confident90.4Very high133 Ų13370.7 Ų70.758%0.57837%0.374SS*.EExtended strand (participates in β ladder)trans-79.8115.3178.8-171.3173.9-177.5172.10109.8G150K148-G150 WeakPolarHBondContact CE-O 3.28Å
149V88.3Confident90.5Very high85 Ų8569 Ų6952%0.51537%0.37SS..EExtended strand (participates in β ladder)trans-121.8103.1174.7-177.60000107.7S147 T151 E152 I154S147-V149 PolarHBondContact O-N 2.98Å; V149-T151 PolarHBondContact O-N 2.86Å; V149-E152 PolarHBondContact N-O 3.37Å; V149-E152 PolarHBondContact O-N 2.86Å; V149-I154 HydrophobicContact CB-CD1 3.73Å; V149-I154 HydrophobicContact CB-CG1 4.21Å; V149-I154 HydrophobicContact CG1-CD1 4.11Å; V149-I154 HydrophobicContact CG2-CB 4.41Å; V149-I154 HydrophobicContact CG2-CD1 4.08Å; V149-I154 HydrophobicContact CG2-CG1 4.4Å
150G86.1Confident90.5Very high64 Ų6474.8 Ų74.866%0.6639%0.386SS*.THydrogen-bonded Turntrans68.7-121.2-16900000111.4K148K148-G150 WeakPolarHBondContact CE-O 3.28Å
151T81.6Confident90.3Very high92 Ų9280.5 Ų80.556%0.56441%0.408SS*.THydrogen-bonded Turntrans-97.8-12.1178.4500000113.6Q129 V149Q129-T151 PolarHBondContact NE2-O 2.85Å; V149-T151 PolarHBondContact O-N 2.86Å
152E86.5Confident89.8Confident125 Ų12587.1 Ų87.158%0.58443%0.429SS*.EExtended strand (participates in β ladder)trans-103.7154.9-175.3-63.6-171.4160.900112.3V149V149-E152 PolarHBondContact N-O 3.37Å; V149-E152 PolarHBondContact O-N 2.86Å
153C91.8Very high89.5Confident16 Ų1690.1 Ų90.111%0.10844%0.437CS..EExtended strand (participates in β ladder)trans-96.4113.6172.2-65.10000109.5S128 Q129 C142 Y146S128-C153 WeakPolarHBondContact O-CB 3.48Å; S128-C153 PolarHBondContact O-SG 2.93Å; S128-C153 VanDerWaalsContact O-SG 3.33Å; S128-C153 PolarHBondContact OG-N 2.92Å; S128-C153 VanDerWaalsContact OG-N 3.17Å; Q129-C153 WeakPolarHBondContact CG-SG 3.36Å; C142-C153 WeakPolarHBondContact CA-SG 3.47Å; C142-C153 HydrophobicContact CB-CB 3.76Å; C142-C153 WeakPolarHBondContact CB-SG 3.44Å; C142-C153 VanDerWaalsContact SG-CA 3.59Å; C142-C153 WeakPolarHBondContact SG-CB 3.47Å; C142-C153 CovalentContact SG-SG 2.04Å; C142-C153 PolarHBondContact SG-SG 3.47Å; Y146-C153 HydrophobicContact CD1-CB 4.46Å
154I91.1Very high89.5Confident84 Ų8488.7 Ų88.743%0.43143%0.428SS..EExtended strand (participates in β ladder)trans-104.8135.4179-55.8-177000108.6Y146 S147 V149 I156Y146-I154 CarbonylContact C-O 3.52Å; Y146-I154 WeakPolarHBondContact CA-O 3.24Å; S147-I154 PolarHBondContact N-O 2.81Å; S147-I154 PolarHBondContact O-N 2.92Å; S147-I154 PolarHBondContact OG-O 2.83Å; V149-I154 HydrophobicContact CB-CD1 3.73Å; V149-I154 HydrophobicContact CB-CG1 4.21Å; V149-I154 HydrophobicContact CG1-CD1 4.11Å; V149-I154 HydrophobicContact CG2-CB 4.41Å; V149-I154 HydrophobicContact CG2-CD1 4.08Å; V149-I154 HydrophobicContact CG2-CG1 4.4Å; I154-I156 PolarHBondContact O-N 3.16Å
155D93.9Very high89.5Confident36 Ų3681.8 Ų81.819%0.19341%0.406CS..EExtended strand (participates in β ladder)trans-52.5133.6176.5-175.558000111.6Y146 D157 N170 G173Y146-D155 HydrophobicContact CD1-CB 4.11Å; Y146-D155 VanDerWaalsContact CD1-N 3.3Å; Y146-D155 HydrophobicContact CE1-CB 3.81Å; D155-D157 PolarHBondContact O-N 2.96Å; D155-N170 PolarHBondContact OD2-ND2 3.13Å; D155-G173 PolarHBondContact OD1-N 2.79Å
156I93.6Very high89.5Confident63 Ų6383 Ų8332%0.32341%0.406SS..  trans-79.5113.1178.1-63.4169.8000107.5G145 I154 E158 N170G145-I156 VanDerWaalsContact O-CB 3.26Å; G145-I156 WeakPolarHBondContact O-CB 3.47Å; G145-I156 VanDerWaalsContact O-CG1 3.28Å; G145-I156 WeakPolarHBondContact O-CG1 3.33Å; G145-I156 PolarHBondContact O-N 2.78Å; I154-I156 PolarHBondContact O-N 3.16Å; I156-E158 HydrophobicContact CG2-CG 4.2Å; I156-E158 PolarHBondContact O-N 2.97Å; I156-N170 PolarHBondContact O-OD1 3.45Å
157D92.4Very high89.5Confident47 Ų4787.2 Ų87.225%0.25142%0.422SS..  trans-73.986.7174.7-178.5-0000111D155 C159 R160D155-D157 PolarHBondContact O-N 2.96Å; D157-C159 PolarHBondContact O-N 3.17Å; D157-C159 WeakPolarHBondContact OD1-CB 3.48Å; D157-C159 PolarHBondContact OD1-N 2.86Å; D157-R160 HydrophobicContact CB-CG 4.18Å; D157-R160 PolarHBondContact O-N 2.81Å; D157-R160 WeakPolarHBondContact OD2-CG 3.34Å; D157-R160 IonicContact OD2-CZ 3.9Å; D157-R160 IonicContact OD2-NE 2.64Å; D157-R160 PolarHBondContact OD2-NE 2.8Å; D157-R160 IonicContact OD2-NH2 3.96Å
158E92.3Very high89.7Confident23 Ų2386.4 Ų86.411%0.10742%0.416CS..G310 helixtrans-66.6-18.9-179.2-5797.7156.600112.3I156 R160 F161 Y163 N170 S174 F175I156-E158 HydrophobicContact CG2-CG 4.2Å; I156-E158 PolarHBondContact O-N 2.97Å; E158-R160 PolarHBondContact O-N 3.37Å; E158-F161 PolarHBondContact O-N 2.88Å; E158-F161 VanDerWaalsContact O-N 3.13Å; E158-Y163 HydrophobicContact CB-CD2 4.24Å; E158-Y163 HydrophobicContact CB-CE2 4.5Å; E158-Y163 HydrophobicContact CB-CG 4.27Å; E158-Y163 WeakPolarHBondContact O-CD2 3.49Å; E158-N170 PolarHBondContact OE2-OD1 3.42Å; E158-S174 VanDerWaalsContact OE2-C 3.27Å; E158-F175 HydrophobicContact CB-CB 4.24Å; E158-F175 HydrophobicContact CB-CD1 3.73Å; E158-F175 HydrophobicContact CB-CE1 4.42Å; E158-F175 HydrophobicContact CB-CG 4.07Å; E158-F175 HydrophobicContact CG-CD1 3.87Å
159C92Very high89.9Confident32 Ų3282.1 Ų82.122%0.21640%0.4CS..G310 helixtrans-66.1-19.5178.2-62.60000113.4D157 F161 R162 C168 V169 N170D157-C159 PolarHBondContact O-N 3.17Å; D157-C159 WeakPolarHBondContact OD1-CB 3.48Å; D157-C159 PolarHBondContact OD1-N 2.86Å; C159-F161 PolarHBondContact O-N 2.94Å; C159-R162 PolarHBondContact O-N 2.87Å; C159-C168 WeakPolarHBondContact CA-SG 3.44Å; C159-C168 HydrophobicContact CB-CB 3.64Å; C159-C168 WeakPolarHBondContact CB-SG 3.23Å; C159-C168 WeakPolarHBondContact SG-CB 3.42Å; C159-C168 CovalentContact SG-SG 2.04Å; C159-C168 PolarHBondContact SG-SG 2.64Å; C159-V169 VanDerWaalsContact SG-C 3.52Å; C159-N170 PolarHBondContact SG-N 2.95Å
160R89.9Confident90.1Very high198 Ų19880.8 Ų80.875%0.74739%0.391SS*.G310 helixtrans-63.6-20.7173.5-67.4179.8-178-161.4-1.6113.7D157 E158D157-R160 HydrophobicContact CB-CG 4.18Å; D157-R160 PolarHBondContact O-N 2.81Å; D157-R160 WeakPolarHBondContact OD2-CG 3.34Å; D157-R160 IonicContact OD2-CZ 3.9Å; D157-R160 IonicContact OD2-NE 2.64Å; D157-R160 PolarHBondContact OD2-NE 2.8Å; D157-R160 IonicContact OD2-NH2 3.96Å; E158-R160 PolarHBondContact O-N 3.37Å
161F86.6Confident90.5Very high146 Ų14680.3 Ų80.364%0.6437%0.374SS*.G310 helixtrans-109.318.1-172.2-61.7-78.9000113.4E158 C159 Y163E158-F161 PolarHBondContact O-N 2.88Å; E158-F161 VanDerWaalsContact O-N 3.13Å; C159-F161 PolarHBondContact O-N 2.94Å; F161-Y163 HydrophobicContact CB-CD2 3.54Å; F161-Y163 HydrophobicContact CB-CE2 3.39Å; F161-Y163 HydrophobicContact CD2-CE2 4.39Å; F161-Y163 HydrophobicContact CG-CE2 4.2Å; F161-Y163 PolarHBondContact O-N 2.95Å
162R81.9Confident91.1Very high230 Ų23081.1 Ų81.187%0.86838%0.381SS*.THydrogen-bonded Turntrans51.948.7178.7-63.4-172.1175.5-176.7-1.6113.7C159 C164C159-R162 PolarHBondContact O-N 2.87Å; R162-C164 VanDerWaalsContact C-N 3.26Å; R162-C164 PolarHBondContact O-N 3.27Å
163Y85.6Confident91.3Very high93 Ų9376.3 Ų76.337%0.36537%0.365SS..  trans-68.8-19.7179.8-90.6-113000114.5E158 F161 F175 R190E158-Y163 HydrophobicContact CB-CD2 4.24Å; E158-Y163 HydrophobicContact CB-CE2 4.5Å; E158-Y163 HydrophobicContact CB-CG 4.27Å; E158-Y163 WeakPolarHBondContact O-CD2 3.49Å; F161-Y163 HydrophobicContact CB-CD2 3.54Å; F161-Y163 HydrophobicContact CB-CE2 3.39Å; F161-Y163 HydrophobicContact CD2-CE2 4.39Å; F161-Y163 HydrophobicContact CG-CE2 4.2Å; F161-Y163 PolarHBondContact O-N 2.95Å; Y163-F175 AromaticContact CD1-CE1 3.89Å; Y163-F175 HydrophobicContact CD1-CE1 3.89Å; Y163-F175 HydrophobicContact CD1-CE2 4.38Å; Y163-F175 AromaticContact CD1-CZ 3.75Å; Y163-F175 HydrophobicContact CD1-CZ 3.75Å; Y163-F175 HydrophobicContact CG-CZ 4.37Å; Y163-R190 VanDerWaalsContact CD1-CZ 3.44Å; Y163-R190 VanDerWaalsContact CE1-NH1 3.28Å
164C90.4Very high91.3Very high15 Ų1578.2 Ų78.210%0.10138%0.379CS..SBendtrans-110147.7-179.3-57.70000111.5R162 C168 C177R162-C164 VanDerWaalsContact C-N 3.26Å; R162-C164 PolarHBondContact O-N 3.27Å; C164-C168 HydrophobicContact CB-CB 3.96Å; C164-C168 VanDerWaalsContact SG-CB 3.5Å; C164-C168 VanDerWaalsContact SG-SG 3.61Å; C164-C177 VanDerWaalsContact CA-SG 3.52Å; C164-C177 HydrophobicContact CB-CB 3.69Å; C164-C177 WeakPolarHBondContact CB-SG 3.39Å; C164-C177 WeakPolarHBondContact SG-CA 3.47Å; C164-C177 WeakPolarHBondContact SG-CB 3.26Å; C164-C177 CovalentContact SG-SG 2.02Å; C164-C177 PolarHBondContact SG-SG 3.18Å
165Q90.7Very high91.4Very high96 Ų9675.9 Ų75.945%0.44937%0.366SS..SBendtrans-67.6-44.2174.2-179-179.7-23.700112.4R190 C192Q165-R190 PolarHBondContact N-O 2.79Å; Q165-C192 PolarHBondContact NE2-O 3.03Å; Q165-C192 PolarHBondContact OE1-O 3.27Å
166H91.4Very high91.3Very high45 Ų4576.8 Ų76.821%0.20838%0.375CS..SBendtrans-105.7-117.2177.6-64.6167.2000110Q178 E180 F183 C192H166-Q178 WeakPolarHBondContact CB-O 3.16Å; H166-E180 HydrophobicContact CB-CG 4.31Å; H166-E180 PolarHBondContact ND1-N 2.85Å; H166-F183 AromaticContact CE1-CD2 3.86Å; H166-F183 AromaticContact CE1-CG 3.75Å; H166-C192 VanDerWaalsContact CE1-CB 3.41Å; H166-C192 WeakPolarHBondContact CE1-CB 3.29Å; H166-C192 VanDerWaalsContact ND1-CB 3.35Å; H166-C192 WeakPolarHBondContact ND1-CB 3.32Å; H166-C192 PolarHBondContact ND1-SG 2.61Å
167R92.8Very high91.3Very high160 Ų16074.3 Ų74.360%0.60436%0.363SS*.EExtended strand (participates in β ladder)trans-88.2130.4-175.1-176-179.8-176-150.77.6111.1C177 Q178R167-C177 CarbonylContact O-C 3.59Å; R167-C177 WeakPolarHBondContact O-CA 3.28Å; R167-Q178 HydrophobicContact CB-CB 4.22Å; R167-Q178 PolarHBondContact N-O 3.41Å; R167-Q178 PolarHBondContact O-N 3.49Å
168C94.2Very high91.4Very high32 Ų3275.9 Ų75.922%0.21637%0.369CS..EExtended strand (participates in β ladder)trans-100.7137.5171.1-172.70000110.4C159 C164C159-C168 WeakPolarHBondContact CA-SG 3.44Å; C159-C168 HydrophobicContact CB-CB 3.64Å; C159-C168 WeakPolarHBondContact CB-SG 3.23Å; C159-C168 WeakPolarHBondContact SG-CB 3.42Å; C159-C168 CovalentContact SG-SG 2.04Å; C159-C168 PolarHBondContact SG-SG 2.64Å; C164-C168 HydrophobicContact CB-CB 3.96Å; C164-C168 VanDerWaalsContact SG-CB 3.5Å; C164-C168 VanDerWaalsContact SG-SG 3.61Å
169V94.1Very high91.5Very high42 Ų4276.2 Ų76.226%0.25537%0.373SS..EExtended strand (participates in β ladder)trans-123.3117.3172.5-178.80000108.2C159 V171 F175 S176 Q178C159-V169 VanDerWaalsContact SG-C 3.52Å; V169-V171 HydrophobicContact CG1-CG1 4.31Å; V169-F175 WeakPolarHBondContact O-CA 3.3Å; V169-S176 PolarHBondContact N-O 2.81Å; V169-S176 PolarHBondContact O-N 2.67Å; V169-Q178 HydrophobicContact CG2-CG 4.29Å
170N94.1Very high91.5Very high58 Ų5880.4 Ų80.431%0.3139%0.39SS..EExtended strand (participates in β ladder)trans-73.4130.6176.1-168.548.1000109.5D155 I156 E158 C159 S174D155-N170 PolarHBondContact OD2-ND2 3.13Å; I156-N170 PolarHBondContact O-OD1 3.45Å; E158-N170 PolarHBondContact OE2-OD1 3.42Å; C159-N170 PolarHBondContact SG-N 2.95Å; N170-S174 PolarHBondContact OD1-O 2.76Å
171V94.2Very high91.6Very high53 Ų5376.7 Ų76.732%0.32139%0.391SS..EExtended strand (participates in β ladder)trans-130147.8179.9-63.60000109.3V169 G173 S174V169-V171 HydrophobicContact CG1-CG1 4.31Å; V171-G173 PolarHBondContact O-N 2.86Å; V171-S174 CarbonylContact C-O 3.22Å; V171-S174 VanDerWaalsContact CG2-O 3.32Å; V171-S174 WeakPolarHBondContact CG2-O 3.45Å; V171-S174 PolarHBondContact N-O 2.98Å; V171-S174 CarbonylContact O-C 3.59Å; V171-S174 PolarHBondContact O-N 3.17Å
172P93.1Very high91.7Very high109 Ų10970.8 Ų70.871%0.70837%0.372SS*.THydrogen-bonded Turntrans-53.7118-177.6-27.235.4000112.9Y146Y146-P172 VanDerWaalsContact OH-CB 3.32Å; Y146-P172 WeakPolarHBondContact OH-CB 3.43Å
173G90.4Very high92.3Very high24 Ų2461 Ų6125%0.24734%0.335CS..THydrogen-bonded Turntrans83.9-0.2-179.200000116Y146 D155 V171Y146-G173 PolarHBondContact OH-N 2.74Å; D155-G173 PolarHBondContact OD1-N 2.79Å; V171-G173 PolarHBondContact O-N 2.86Å
174S92.4Very high92.7Very high56 Ų5661.2 Ų61.239%0.39234%0.34SS..EExtended strand (participates in β ladder)trans-167.9-161.9178.5-154.80000113.9E158 N170 V171E158-S174 VanDerWaalsContact OE2-C 3.27Å; N170-S174 PolarHBondContact OD1-O 2.76Å; V171-S174 CarbonylContact C-O 3.22Å; V171-S174 VanDerWaalsContact CG2-O 3.32Å; V171-S174 WeakPolarHBondContact CG2-O 3.45Å; V171-S174 PolarHBondContact N-O 2.98Å; V171-S174 CarbonylContact O-C 3.59Å; V171-S174 PolarHBondContact O-N 3.17Å
175F92.8Very high92.8Very high36 Ų3663.5 Ų63.516%0.15835%0.353CS..EExtended strand (participates in β ladder)trans-139.8156.8172.667-77.9000110.7E158 Y163 V169 R190E158-F175 HydrophobicContact CB-CB 4.24Å; E158-F175 HydrophobicContact CB-CD1 3.73Å; E158-F175 HydrophobicContact CB-CE1 4.42Å; E158-F175 HydrophobicContact CB-CG 4.07Å; E158-F175 HydrophobicContact CG-CD1 3.87Å; Y163-F175 AromaticContact CD1-CE1 3.89Å; Y163-F175 HydrophobicContact CD1-CE1 3.89Å; Y163-F175 HydrophobicContact CD1-CE2 4.38Å; Y163-F175 AromaticContact CD1-CZ 3.75Å; Y163-F175 HydrophobicContact CD1-CZ 3.75Å; Y163-F175 HydrophobicContact CG-CZ 4.37Å; V169-F175 WeakPolarHBondContact O-CA 3.3Å; F175-R190 HydrophobicContact CE2-CG 4.21Å; F175-R190 HydrophobicContact CZ-CG 4.3Å
176S92.1Very high92.7Very high55 Ų5559.3 Ų59.339%0.38534%0.336SS..EExtended strand (participates in β ladder)trans-122.9129.7173.5-175.60000110.4V169V169-S176 PolarHBondContact N-O 2.81Å; V169-S176 PolarHBondContact O-N 2.67Å
177C93.9Very high92.6Very high11 Ų1161.5 Ų61.57%0.07437%0.371CS..EExtended strand (participates in β ladder)trans-89.8133.9171.8-58.40000110.7C164 R167 N189C164-C177 VanDerWaalsContact CA-SG 3.52Å; C164-C177 HydrophobicContact CB-CB 3.69Å; C164-C177 WeakPolarHBondContact CB-SG 3.39Å; C164-C177 WeakPolarHBondContact SG-CA 3.47Å; C164-C177 WeakPolarHBondContact SG-CB 3.26Å; C164-C177 CovalentContact SG-SG 2.02Å; C164-C177 PolarHBondContact SG-SG 3.18Å; R167-C177 CarbonylContact O-C 3.59Å; R167-C177 WeakPolarHBondContact O-CA 3.28Å; C177-N189 WeakPolarHBondContact CB-O 3.25Å; C177-N189 PolarHBondContact SG-O 2.87Å; C177-N189 VanDerWaalsContact SG-O 3.34Å
178Q93.9Very high92.4Very high79 Ų7958.2 Ų58.237%0.36937%0.365SS..EExtended strand (participates in β ladder)trans-117.1132175-65.8179.9-1.800109.2H166 R167 V169H166-Q178 WeakPolarHBondContact CB-O 3.16Å; R167-Q178 HydrophobicContact CB-CB 4.22Å; R167-Q178 PolarHBondContact N-O 3.41Å; R167-Q178 PolarHBondContact O-N 3.49Å; V169-Q178 HydrophobicContact CG2-CG 4.29Å
179C94.3Very high92.1Very high31 Ų3162.2 Ų62.221%0.20938%0.384CS..PPolyproline II helixtrans-90.4148.1177.9-61.60000111.1F183 C192C179-F183 HydrophobicContact CB-CB 3.77Å; C179-C192 WeakPolarHBondContact CA-SG 3.49Å; C179-C192 HydrophobicContact CB-CB 3.8Å; C179-C192 WeakPolarHBondContact CB-SG 3.47Å; C179-C192 WeakPolarHBondContact SG-CA 3.37Å; C179-C192 WeakPolarHBondContact SG-CB 3.48Å; C179-C192 CovalentContact SG-SG 2.04Å; C179-C192 PolarHBondContact SG-SG 2.95Å
180E93.6Very high91.9Very high119 Ų11965.2 Ų65.256%0.55639%0.391SS*.PPolyproline II helixtrans-60.9158.7168.7-64.5-173.1165.600111.2H166 F183H166-E180 HydrophobicContact CB-CG 4.31Å; H166-E180 PolarHBondContact ND1-N 2.85Å; E180-F183 HydrophobicContact CB-CD2 4.25Å; E180-F183 WeakPolarHBondContact O-CB 3.28Å; E180-F183 PolarHBondContact O-N 2.87Å; E180-F183 VanDerWaalsContact O-N 3.13Å
181P91.2Very high91.8Very high121 Ų12164 Ų6479%0.78639%0.387SS*.THydrogen-bonded Turntrans-53141.9174.5-24.634.7000111.9F183P181-F183 VanDerWaalsContact C-N 3.31Å; P181-F183 WeakPolarHBondContact O-CD2 3.41Å
182G89.9Confident91.8Very high22 Ų2261.8 Ų61.823%0.22737%0.374CS..THydrogen-bonded Turntrans84.9-0-173.400000114.2V195G182-V195 WeakPolarHBondContact O-CB 3.22Å; G182-V195 PolarHBondContact O-N 2.05Å
183F94.1Very high91.8Very high24 Ų2459.4 Ų59.411%0.10536%0.357CS..EExtended strand (participates in β ladder)trans-128.2150.4178-61.3-92.1000111.8H166 C179 E180 P181 C192 V193 D194 Y212H166-F183 AromaticContact CE1-CD2 3.86Å; H166-F183 AromaticContact CE1-CG 3.75Å; C179-F183 HydrophobicContact CB-CB 3.77Å; E180-F183 HydrophobicContact CB-CD2 4.25Å; E180-F183 WeakPolarHBondContact O-CB 3.28Å; E180-F183 PolarHBondContact O-N 2.87Å; E180-F183 VanDerWaalsContact O-N 3.13Å; P181-F183 VanDerWaalsContact C-N 3.31Å; P181-F183 WeakPolarHBondContact O-CD2 3.41Å; F183-C192 HydrophobicContact CB-CB 4.08Å; F183-V193 CarbonylContact C-O 3.51Å; F183-V193 VanDerWaalsContact CA-O 3.31Å; F183-V193 WeakPolarHBondContact CA-O 3.41Å; F183-D194 HydrophobicContact CD1-CB 4.2Å; F183-D194 HydrophobicContact CE1-CB 3.97Å; F183-Y212 HydrophobicContact CE1-CD1 4.2Å; F183-Y212 HydrophobicContact CE1-CD2 4.02Å; F183-Y212 AromaticContact CE1-CE1 3.74Å; F183-Y212 HydrophobicContact CE1-CE1 3.74Å; F183-Y212 AromaticContact CE1-CE2 3.55Å; F183-Y212 HydrophobicContact CE1-CE2 3.55Å; F183-Y212 HydrophobicContact CE1-CG 4.32Å; F183-Y212 AromaticContact CE1-CZ 3.38Å; F183-Y212 HydrophobicContact CE2-CE1 4.35Å; F183-Y212 AromaticContact CZ-CD1 3.62Å; F183-Y212 HydrophobicContact CZ-CD1 3.62Å; F183-Y212 HydrophobicContact CZ-CD2 4.23Å; F183-Y212 AromaticContact CZ-CE1 3.3Å; F183-Y212 HydrophobicContact CZ-CE1 3.3Å; F183-Y212 AromaticContact CZ-CE2 3.98Å; F183-Y212 HydrophobicContact CZ-CE2 3.98Å; F183-Y212 HydrophobicContact CZ-CG 4.07Å; F183-Y212 AromaticContact CZ-CZ 3.49Å; F183-Y212 VanDerWaalsContact CZ-CZ 3.49Å
184Q93.2Very high92Very high98 Ų9860.4 Ų60.446%0.45836%0.357SS..EExtended strand (participates in β ladder)trans-122.1155.1174.365.3-178.921.900111.2G186 C192 V193 V195Q184-G186 PolarHBondContact O-N 3.39Å; Q184-C192 WeakPolarHBondContact O-CA 3.27Å; Q184-V193 HydrophobicContact CG-CG2 3.51Å; Q184-V193 PolarHBondContact N-O 3.37Å; Q184-V193 PolarHBondContact O-N 2.99Å; Q184-V195 HydrophobicContact CB-CG2 3.83Å; Q184-V195 HydrophobicContact CG-CG2 3.87Å
185V92.8Very high92.1Very high62 Ų6258.8 Ų58.838%0.37634%0.344SS..EExtended strand (participates in β ladder)trans-68.7123.1179.2-1800000109.1N189V185-N189 HydrophobicContact CG1-CB 4.39Å
186G88.6Confident92.1Very high8 Ų859 Ų598%0.08235%0.347CS..  trans-74.4171.117700000112.7Q184 N188 N189 S191Q184-G186 PolarHBondContact O-N 3.39Å; G186-N188 PolarHBondContact O-N 3.4Å; G186-N189 PolarHBondContact O-N 2.85Å; G186-S191 PolarHBondContact N-O 3.1Å
187G88.4Confident92.1Very high92 Ų9258 Ų5895%0.94834%0.336SS*.THydrogen-bonded Turntrans-62.1-10.6-171.500000116.9
188N89.6Confident92.1Very high90 Ų9059.2 Ų59.248%0.48135%0.345SS..THydrogen-bonded Turntrans-92.93.2174.565.23.6000113.5G186 R190 S191G186-N188 PolarHBondContact O-N 3.4Å; N188-R190 WeakPolarHBondContact O-CG 3.34Å; N188-R190 PolarHBondContact O-N 2.84Å; N188-R190 VanDerWaalsContact O-N 3.09Å; N188-R190 PolarHBondContact OD1-N 3.41Å; N188-S191 VanDerWaalsContact CG-OG 3.29Å; N188-S191 PolarHBondContact ND2-OG 3Å; N188-S191 PolarHBondContact OD1-N 3.41Å; N188-S191 PolarHBondContact OD1-OG 3.21Å
189N87.8Confident92Very high116 Ų11663.2 Ų63.262%0.6236%0.364SS*.SBendtrans55.918.6-175-71.2-3.8000115.7C177 V185 G186C177-N189 WeakPolarHBondContact CB-O 3.25Å; C177-N189 PolarHBondContact SG-O 2.87Å; C177-N189 VanDerWaalsContact SG-O 3.34Å; V185-N189 HydrophobicContact CG1-CB 4.39Å; G186-N189 PolarHBondContact O-N 2.85Å
190R89.3Confident91.5Very high105 Ų10568 Ų6840%0.39638%0.384SS..SBendtrans-131.9-37.5-174.5-67.7174.6-176.5-135.4-2.4114Y163 Q165 F175 N188Y163-R190 VanDerWaalsContact CD1-CZ 3.44Å; Y163-R190 VanDerWaalsContact CE1-NH1 3.28Å; Q165-R190 PolarHBondContact N-O 2.79Å; F175-R190 HydrophobicContact CE2-CG 4.21Å; F175-R190 HydrophobicContact CZ-CG 4.3Å; N188-R190 WeakPolarHBondContact O-CG 3.34Å; N188-R190 PolarHBondContact O-N 2.84Å; N188-R190 VanDerWaalsContact O-N 3.09Å; N188-R190 PolarHBondContact OD1-N 3.41Å
191S92.3Very high90.9Very high32 Ų3265.4 Ų65.422%0.22439%0.39CS..  trans-87.7149.7175.653.90000111.1G186 N188G186-S191 PolarHBondContact N-O 3.1Å; N188-S191 VanDerWaalsContact CG-OG 3.29Å; N188-S191 PolarHBondContact ND2-OG 3Å; N188-S191 PolarHBondContact OD1-N 3.41Å; N188-S191 PolarHBondContact OD1-OG 3.21Å
192C93.8Very high90.2Very high7 Ų760.6 Ų60.65%0.04736%0.361CS..EExtended strand (participates in β ladder)trans-106.3121.8173.2-67.60000108.3Q165 H166 C179 F183 Q184Q165-C192 PolarHBondContact NE2-O 3.03Å; Q165-C192 PolarHBondContact OE1-O 3.27Å; H166-C192 VanDerWaalsContact CE1-CB 3.41Å; H166-C192 WeakPolarHBondContact CE1-CB 3.29Å; H166-C192 VanDerWaalsContact ND1-CB 3.35Å; H166-C192 WeakPolarHBondContact ND1-CB 3.32Å; H166-C192 PolarHBondContact ND1-SG 2.61Å; C179-C192 WeakPolarHBondContact CA-SG 3.49Å; C179-C192 HydrophobicContact CB-CB 3.8Å; C179-C192 WeakPolarHBondContact CB-SG 3.47Å; C179-C192 WeakPolarHBondContact SG-CA 3.37Å; C179-C192 WeakPolarHBondContact SG-CB 3.48Å; C179-C192 CovalentContact SG-SG 2.04Å; C179-C192 PolarHBondContact SG-SG 2.95Å; F183-C192 HydrophobicContact CB-CB 4.08Å; Q184-C192 WeakPolarHBondContact O-CA 3.27Å
193V93.9Very high89.9Confident60 Ų6063.5 Ų63.536%0.36438%0.375SS..EExtended strand (participates in β ladder)trans-102139.4175.8-59.40000108.6F183 Q184F183-V193 CarbonylContact C-O 3.51Å; F183-V193 VanDerWaalsContact CA-O 3.31Å; F183-V193 WeakPolarHBondContact CA-O 3.41Å; Q184-V193 HydrophobicContact CG-CG2 3.51Å; Q184-V193 PolarHBondContact N-O 3.37Å; Q184-V193 PolarHBondContact O-N 2.99Å
194D94.9Very high89.7Confident45 Ų4563.3 Ų63.324%0.24138%0.377CS..EExtended strand (participates in β ladder)trans-58.7134.9177.3-172.661.6000110.5F183 N210 G213F183-D194 HydrophobicContact CD1-CB 4.2Å; F183-D194 HydrophobicContact CE1-CB 3.97Å; D194-N210 PolarHBondContact OD2-ND2 3.16Å; D194-G213 WeakPolarHBondContact OD1-CA 3.38Å; D194-G213 PolarHBondContact OD1-N 3.31Å
195V93.2Very high89.7Confident21 Ų2161.8 Ų61.813%0.12738%0.377CS..PPolyproline II helixtrans-85.3120.5174.4173.60000107.3G182 Q184 E197 M200 N210G182-V195 WeakPolarHBondContact O-CB 3.22Å; G182-V195 PolarHBondContact O-N 2.05Å; Q184-V195 HydrophobicContact CB-CG2 3.83Å; Q184-V195 HydrophobicContact CG-CG2 3.87Å; V195-E197 HydrophobicContact CG1-CG 4.5Å; V195-E197 PolarHBondContact O-N 3.42Å; V195-E197 VanDerWaalsContact O-N 3.1Å; V195-E197 VanDerWaalsContact O-OE2 3.05Å; V195-M200 HydrophobicContact CG1-CE 3.82Å; V195-M200 HydrophobicContact CG1-SD 3.54Å; V195-M200 VanDerWaalsContact CG1-SD 3.54Å; V195-N210 PolarHBondContact O-OD1 3.06Å
196N93.3Very high89.7Confident40 Ų4061.6 Ų61.621%0.21437%0.372CS..  trans-79.893.5174.8-174-13.4000110.1C198 E199 M200 N210N196-C198 PolarHBondContact O-N 3.46Å; N196-C198 VanDerWaalsContact OD1-CB 3.29Å; N196-C198 WeakPolarHBondContact OD1-CB 3.25Å; N196-C198 PolarHBondContact OD1-N 3.49Å; N196-C198 VanDerWaalsContact OD1-N 3.14Å; N196-E199 HydrophobicContact CB-CB 4.37Å; N196-E199 HydrophobicContact CB-CG 4.46Å; N196-E199 WeakPolarHBondContact ND2-CG 3.5Å; N196-E199 PolarHBondContact ND2-OE1 2.85Å; N196-E199 PolarHBondContact O-N 3.41Å; N196-E199 PolarHBondContact OD1-N 3.37Å; N196-M200 PolarHBondContact O-N 3.25Å; N196-N210 WeakPolarHBondContact OD1-CB 3.11Å
197E93Very high89.9Confident34 Ų3467.3 Ų67.316%0.15939%0.391CS..THydrogen-bonded Turntrans-64.1-25.7-178.6-59.389.5169.100112.2V195 E199 M200 G201 A202 N210 F215V195-E197 HydrophobicContact CG1-CG 4.5Å; V195-E197 PolarHBondContact O-N 3.42Å; V195-E197 VanDerWaalsContact O-N 3.1Å; V195-E197 VanDerWaalsContact O-OE2 3.05Å; E197-E199 VanDerWaalsContact C-N 3.32Å; E197-E199 PolarHBondContact O-N 3.35Å; E197-M200 PolarHBondContact O-N 2.85Å; E197-G201 PolarHBondContact O-N 2.68Å; E197-A202 WeakPolarHBondContact O-CA 3.48Å; E197-A202 WeakPolarHBondContact O-CB 3.46Å; E197-A202 PolarHBondContact O-N 3.42Å; E197-N210 PolarHBondContact OE2-OD1 2.85Å; E197-N210 VanDerWaalsContact OE2-OD1 3.12Å; E197-F215 HydrophobicContact CB-CB 4.27Å; E197-F215 HydrophobicContact CB-CD1 3.54Å; E197-F215 HydrophobicContact CB-CE1 4.06Å; E197-F215 HydrophobicContact CB-CG 3.97Å; E197-F215 HydrophobicContact CG-CD1 3.67Å; E197-F215 HydrophobicContact CG-CE1 4.15Å
198C92.4Very high90.3Very high38 Ų3864.7 Ų64.726%0.25736%0.358SS..THydrogen-bonded Turntrans-65.8-33.3177.3-55.30000112.8N196 M200 C208 F209 N210N196-C198 PolarHBondContact O-N 3.46Å; N196-C198 VanDerWaalsContact OD1-CB 3.29Å; N196-C198 WeakPolarHBondContact OD1-CB 3.25Å; N196-C198 PolarHBondContact OD1-N 3.49Å; N196-C198 VanDerWaalsContact OD1-N 3.14Å; C198-M200 VanDerWaalsContact C-N 3.35Å; C198-C208 WeakPolarHBondContact CA-SG 3.25Å; C198-C208 HydrophobicContact CB-CB 3.71Å; C198-C208 WeakPolarHBondContact CB-SG 3.38Å; C198-C208 WeakPolarHBondContact SG-CB 3.36Å; C198-C208 CovalentContact SG-SG 2.04Å; C198-C208 PolarHBondContact SG-SG 2.85Å; C198-F209 VanDerWaalsContact SG-C 3.51Å; C198-F209 PolarHBondContact SG-N 2.97Å; C198-F209 VanDerWaalsContact SG-N 3.44Å; C198-N210 PolarHBondContact SG-N 3.36Å
199E92.1Very high90.5Very high162 Ų16263.7 Ų63.776%0.75735%0.349SS*.THydrogen-bonded Turntrans-79.4-20.9175.3-74.6176-168.300112.5N196 E197 G201N196-E199 HydrophobicContact CB-CB 4.37Å; N196-E199 HydrophobicContact CB-CG 4.46Å; N196-E199 WeakPolarHBondContact ND2-CG 3.5Å; N196-E199 PolarHBondContact ND2-OE1 2.85Å; N196-E199 PolarHBondContact O-N 3.41Å; N196-E199 PolarHBondContact OD1-N 3.37Å; E197-E199 VanDerWaalsContact C-N 3.32Å; E197-E199 PolarHBondContact O-N 3.35Å; E199-G201 VanDerWaalsContact C-N 3.3Å
200M85.5Confident90.7Very high131 Ų13160.9 Ų60.965%0.64533%0.334SS*.THydrogen-bonded Turntrans-88.17.3177.9-65.2-167.2168.700113.8V195 N196 E197 C198V195-M200 HydrophobicContact CG1-CE 3.82Å; V195-M200 HydrophobicContact CG1-SD 3.54Å; V195-M200 VanDerWaalsContact CG1-SD 3.54Å; N196-M200 PolarHBondContact O-N 3.25Å; E197-M200 PolarHBondContact O-N 2.85Å; C198-M200 VanDerWaalsContact C-N 3.35Å
201G79.6Confident90.8Very high65 Ų6557.8 Ų57.867%0.6733%0.327SS*.THydrogen-bonded Turntrans85.648.3-17900000113.1E197 E199E197-G201 PolarHBondContact O-N 2.68Å; E199-G201 VanDerWaalsContact C-N 3.3Å
202A77.8Confident90.8Very high21 Ų2164 Ų6417%0.17435%0.347CS..  trans-45.8145.1177.100000112.9E197 C204 C208 F215E197-A202 WeakPolarHBondContact O-CA 3.48Å; E197-A202 WeakPolarHBondContact O-CB 3.46Å; E197-A202 PolarHBondContact O-N 3.42Å; A202-C204 PolarHBondContact O-N 3Å; A202-C208 HydrophobicContact CB-CB 4.18Å; A202-C208 WeakPolarHBondContact CB-SG 3.23Å; A202-F215 HydrophobicContact CB-CD2 4.14Å; A202-F215 HydrophobicContact CB-CE2 4.07Å
203P82.1Confident90.6Very high83 Ų8364.7 Ų64.754%0.53936%0.355SS..SBendtrans-7110.2-177.330.9-37.5000114.6S205 F215 F230P203-S205 PolarHBondContact O-N 2.91Å; P203-F215 HydrophobicContact CG-CE2 4.01Å; P203-F215 HydrophobicContact CG-CZ 3.7Å; P203-F230 HydrophobicContact CB-CD1 4.34Å; P203-F230 HydrophobicContact CB-CG 4.38Å; P203-F230 HydrophobicContact CG-CD1 3.63Å; P203-F230 HydrophobicContact CG-CE1 3.82Å; P203-F230 HydrophobicContact CG-CG 4.09Å; P203-F230 HydrophobicContact CG-CZ 4.38Å
204C90.8Very high90.5Very high20 Ų2065.2 Ų65.214%0.13536%0.358CS..  trans-66.8128.6179.3-59.10000110.8A202 Q206 C208 C217A202-C204 PolarHBondContact O-N 3Å; C204-Q206 VanDerWaalsContact C-N 3.29Å; C204-Q206 PolarHBondContact O-N 2.77Å; C204-C208 HydrophobicContact CB-CB 4.08Å; C204-C208 VanDerWaalsContact SG-CB 3.56Å; C204-C217 WeakPolarHBondContact CA-SG 3.38Å; C204-C217 HydrophobicContact CB-CB 3.8Å; C204-C217 WeakPolarHBondContact CB-SG 3.35Å; C204-C217 VanDerWaalsContact SG-CA 3.53Å; C204-C217 WeakPolarHBondContact SG-CB 3.37Å; C204-C217 CovalentContact SG-SG 2.02Å; C204-C217 PolarHBondContact SG-SG 2.69Å
205S92.7Very high90.4Very high66 Ų6664.9 Ų64.946%0.46236%0.355SS..SBendtrans-65.5-28.9174.855.10000114.2P203 F230 T231 C232P203-S205 PolarHBondContact O-N 2.91Å; S205-F230 PolarHBondContact N-O 2.9Å; S205-F230 PolarHBondContact OG-O 3.46Å; S205-T231 WeakPolarHBondContact OG-CA 3.22Å; S205-C232 WeakPolarHBondContact OG-CB 3.3Å; S205-C232 PolarHBondContact OG-N 2.73Å
206Q92.9Very high90.3Very high58 Ų5867.7 Ų67.727%0.27137%0.367SS..SBendtrans-128-93.3-178.4-65.7178.30.900111.3C204 C219 Y223 C232C204-Q206 VanDerWaalsContact C-N 3.29Å; C204-Q206 PolarHBondContact O-N 2.77Å; Q206-C219 VanDerWaalsContact OE1-CA 3.31Å; Q206-Y223 VanDerWaalsContact NE2-CD1 3.27Å; Q206-Y223 VanDerWaalsContact NE2-CG 3.32Å; Q206-C232 HydrophobicContact CG-CB 3.88Å
207R93.6Very high90.4Very high128 Ų12866.2 Ų66.248%0.48336%0.36SS..EExtended strand (participates in β ladder)trans-107.1127.5-172.5-60.3173.661163.25.3111.5F209 C217 R218 D220R207-F209 HydrophobicContact CB-CE2 3.78Å; R207-F209 HydrophobicContact CB-CZ 4.41Å; R207-C217 CarbonylContact O-C 3.46Å; R207-C217 VanDerWaalsContact O-CA 3.29Å; R207-C217 WeakPolarHBondContact O-CA 3.33Å; R207-R218 WeakPolarHBondContact CB-O 3.38Å; R207-R218 PolarHBondContact N-O 3.2Å; R207-R218 PolarHBondContact O-N 3.03Å; R207-D220 WeakPolarHBondContact CD-OD1 3.48Å; R207-D220 IonicContact NH1-OD1 2.94Å
208C95Very high90.4Very high37 Ų3771.2 Ų71.225%0.2538%0.378CS..EExtended strand (participates in β ladder)trans-103138.7173.8-173.90000110.8C198 A202 C204C198-C208 WeakPolarHBondContact CA-SG 3.25Å; C198-C208 HydrophobicContact CB-CB 3.71Å; C198-C208 WeakPolarHBondContact CB-SG 3.38Å; C198-C208 WeakPolarHBondContact SG-CB 3.36Å; C198-C208 CovalentContact SG-SG 2.04Å; C198-C208 PolarHBondContact SG-SG 2.85Å; A202-C208 HydrophobicContact CB-CB 4.18Å; A202-C208 WeakPolarHBondContact CB-SG 3.23Å; C204-C208 HydrophobicContact CB-CB 4.08Å; C204-C208 VanDerWaalsContact SG-CB 3.56Å
209F93.8Very high90.6Very high68 Ų6870.9 Ų70.930%0.29838%0.376SS..EExtended strand (participates in β ladder)trans-127.7117.6173-64.1-92.8000109.2C198 R207 F215 M216 R218C198-F209 VanDerWaalsContact SG-C 3.51Å; C198-F209 PolarHBondContact SG-N 2.97Å; C198-F209 VanDerWaalsContact SG-N 3.44Å; R207-F209 HydrophobicContact CB-CE2 3.78Å; R207-F209 HydrophobicContact CB-CZ 4.41Å; F209-F215 WeakPolarHBondContact O-CA 3.37Å; F209-M216 HydrophobicContact CB-CG 3.84Å; F209-M216 PolarHBondContact N-O 3.2Å; F209-M216 PolarHBondContact O-N 3.49Å; F209-R218 HydrophobicContact CD2-CB 4.2Å; F209-R218 HydrophobicContact CD2-CG 3.8Å; F209-R218 HydrophobicContact CE2-CB 3.78Å; F209-R218 HydrophobicContact CE2-CG 3.78Å
210N92.9Very high90.8Very high57 Ų5766.5 Ų66.531%0.30536%0.358SS..EExtended strand (participates in β ladder)trans-68.9138.1175.1-169.346.4000110.3D194 V195 N196 E197 C198D194-N210 PolarHBondContact OD2-ND2 3.16Å; V195-N210 PolarHBondContact O-OD1 3.06Å; N196-N210 WeakPolarHBondContact OD1-CB 3.11Å; E197-N210 PolarHBondContact OE2-OD1 2.85Å; E197-N210 VanDerWaalsContact OE2-OD1 3.12Å; C198-N210 PolarHBondContact SG-N 3.36Å
211T92.1Very high91.2Very high40 Ų4069.2 Ų69.225%0.24537%0.369CS..EExtended strand (participates in β ladder)trans-132.6166.8177.256.30000109.7G213 T214 M216T211-G213 PolarHBondContact O-N 2.9Å; T211-T214 CarbonylContact C-O 3.33Å; T211-T214 VanDerWaalsContact CA-O 3.25Å; T211-T214 WeakPolarHBondContact CA-O 3.3Å; T211-T214 WeakPolarHBondContact CB-O 3.44Å; T211-T214 PolarHBondContact N-O 2.03Å; T211-T214 PolarHBondContact O-N 2.04Å; T211-T214 WeakPolarHBondContact OG1-CG2 3.27Å; T211-T214 PolarHBondContact OG1-O 3.49Å; T211-M216 HydrophobicContact CG2-CE 3.58Å; T211-M216 HydrophobicContact CG2-CG 4.24Å
212Y92.4Very high91.9Very high163 Ų16366.8 Ų66.864%0.63934%0.344SS*.THydrogen-bonded Turntrans-68.3113.3-178.3-170.2-93.9000110.9F183F183-Y212 HydrophobicContact CE1-CD1 4.2Å; F183-Y212 HydrophobicContact CE1-CD2 4.02Å; F183-Y212 AromaticContact CE1-CE1 3.74Å; F183-Y212 HydrophobicContact CE1-CE1 3.74Å; F183-Y212 AromaticContact CE1-CE2 3.55Å; F183-Y212 HydrophobicContact CE1-CE2 3.55Å; F183-Y212 HydrophobicContact CE1-CG 4.32Å; F183-Y212 AromaticContact CE1-CZ 3.38Å; F183-Y212 HydrophobicContact CE2-CE1 4.35Å; F183-Y212 AromaticContact CZ-CD1 3.62Å; F183-Y212 HydrophobicContact CZ-CD1 3.62Å; F183-Y212 HydrophobicContact CZ-CD2 4.23Å; F183-Y212 AromaticContact CZ-CE1 3.3Å; F183-Y212 HydrophobicContact CZ-CE1 3.3Å; F183-Y212 AromaticContact CZ-CE2 3.98Å; F183-Y212 HydrophobicContact CZ-CE2 3.98Å; F183-Y212 HydrophobicContact CZ-CG 4.07Å; F183-Y212 AromaticContact CZ-CZ 3.49Å; F183-Y212 VanDerWaalsContact CZ-CZ 3.49Å
213G89.7Confident92.7Very high21 Ų2168.7 Ų68.722%0.21635%0.347CS..THydrogen-bonded Turntrans81.35.2179.100000115.6D194 T211D194-G213 WeakPolarHBondContact OD1-CA 3.38Å; D194-G213 PolarHBondContact OD1-N 3.31Å; T211-G213 PolarHBondContact O-N 2.9Å
214T90.9Very high93.3Very high71 Ų7170.2 Ų70.244%0.43635%0.347SS..EExtended strand (participates in β ladder)trans-170.5-173.8-179.1-168.70000110.8T211T211-T214 CarbonylContact C-O 3.33Å; T211-T214 VanDerWaalsContact CA-O 3.25Å; T211-T214 WeakPolarHBondContact CA-O 3.3Å; T211-T214 WeakPolarHBondContact CB-O 3.44Å; T211-T214 PolarHBondContact N-O 2.03Å; T211-T214 PolarHBondContact O-N 2.04Å; T211-T214 WeakPolarHBondContact OG1-CG2 3.27Å; T211-T214 PolarHBondContact OG1-O 3.49Å
215F92.2Very high93.5Very high39 Ų3973.1 Ų73.117%0.17136%0.36CS..EExtended strand (participates in β ladder)trans-132.4163.3172.465.9-75.6000111.1E197 A202 P203 F209 F230E197-F215 HydrophobicContact CB-CB 4.27Å; E197-F215 HydrophobicContact CB-CD1 3.54Å; E197-F215 HydrophobicContact CB-CE1 4.06Å; E197-F215 HydrophobicContact CB-CG 3.97Å; E197-F215 HydrophobicContact CG-CD1 3.67Å; E197-F215 HydrophobicContact CG-CE1 4.15Å; A202-F215 HydrophobicContact CB-CD2 4.14Å; A202-F215 HydrophobicContact CB-CE2 4.07Å; P203-F215 HydrophobicContact CG-CE2 4.01Å; P203-F215 HydrophobicContact CG-CZ 3.7Å; F209-F215 WeakPolarHBondContact O-CA 3.37Å; F215-F230 HydrophobicContact CE1-CE1 4.49Å; F215-F230 AromaticContact CE2-CD1 3.9Å; F215-F230 HydrophobicContact CE2-CD1 3.9Å; F215-F230 AromaticContact CE2-CE1 3.53Å; F215-F230 HydrophobicContact CE2-CE1 3.53Å; F215-F230 HydrophobicContact CZ-CD1 4.13Å; F215-F230 AromaticContact CZ-CE1 3.39Å; F215-F230 HydrophobicContact CZ-CE1 3.39Å; F215-F230 HydrophobicContact CZ-CZ 4.22Å
216M91.7Very high93.5Very high79 Ų7970.4 Ų70.439%0.38934%0.343SS..EExtended strand (participates in β ladder)trans-127.4140.4170.268.417275.100111F209 T211 R218F209-M216 HydrophobicContact CB-CG 3.84Å; F209-M216 PolarHBondContact N-O 3.2Å; F209-M216 PolarHBondContact O-N 3.49Å; T211-M216 HydrophobicContact CG2-CE 3.58Å; T211-M216 HydrophobicContact CG2-CG 4.24Å; M216-R218 PolarHBondContact SD-NH2 3.26Å
217C94.6Very high93.5Very high10 Ų1074.5 Ų74.57%0.06837%0.374CS..EExtended strand (participates in β ladder)trans-91.3144.6169.2-53.30000110.3C204 R207 L225 G229 F230C204-C217 WeakPolarHBondContact CA-SG 3.38Å; C204-C217 HydrophobicContact CB-CB 3.8Å; C204-C217 WeakPolarHBondContact CB-SG 3.35Å; C204-C217 VanDerWaalsContact SG-CA 3.53Å; C204-C217 WeakPolarHBondContact SG-CB 3.37Å; C204-C217 CovalentContact SG-SG 2.02Å; C204-C217 PolarHBondContact SG-SG 2.69Å; R207-C217 CarbonylContact O-C 3.46Å; R207-C217 VanDerWaalsContact O-CA 3.29Å; R207-C217 WeakPolarHBondContact O-CA 3.33Å; C217-L225 HydrophobicContact CB-CD1 4.08Å; C217-G229 WeakPolarHBondContact CB-O 3.01Å; C217-F230 VanDerWaalsContact SG-CD1 3.6Å
218R94.4Very high93.3Very high138 Ų13871.9 Ų71.952%0.52137%0.37SS..EExtended strand (participates in β ladder)trans-131.4149.1167.9-56.7-174.8178.3-179.7-0.7109.9R207 F209 M216R207-R218 WeakPolarHBondContact CB-O 3.38Å; R207-R218 PolarHBondContact N-O 3.2Å; R207-R218 PolarHBondContact O-N 3.03Å; F209-R218 HydrophobicContact CD2-CB 4.2Å; F209-R218 HydrophobicContact CD2-CG 3.8Å; F209-R218 HydrophobicContact CE2-CB 3.78Å; F209-R218 HydrophobicContact CE2-CG 3.78Å; M216-R218 PolarHBondContact SD-NH2 3.26Å
219C96.1Very high93.1Very high32 Ų3271.5 Ų71.522%0.21637%0.372CS..PPolyproline II helixtrans-96.3149.9179.1-53.30000111.1Q206 C232Q206-C219 VanDerWaalsContact OE1-CA 3.31Å; C219-C232 WeakPolarHBondContact CA-SG 3.42Å; C219-C232 HydrophobicContact CB-CB 3.7Å; C219-C232 WeakPolarHBondContact CB-SG 3.39Å; C219-C232 WeakPolarHBondContact SG-CA 3.4Å; C219-C232 WeakPolarHBondContact SG-CB 3.41Å; C219-C232 CovalentContact SG-SG 2.04Å; C219-C232 PolarHBondContact SG-SG 3.15Å
220D95.4Very high93Very high70 Ų7072 Ų7237%0.37437%0.374SS..PPolyproline II helixtrans-67.8167169.9-71.8-38.2000110.7R207 G222 Y223R207-D220 WeakPolarHBondContact CD-OD1 3.48Å; R207-D220 IonicContact NH1-OD1 2.94Å; D220-G222 PolarHBondContact O-N 3.07Å; D220-Y223 HydrophobicContact CB-CD2 4.4Å; D220-Y223 PolarHBondContact O-N 3.37Å; D220-Y223 VanDerWaalsContact O-N 3.17Å
221Q94.5Very high93.1Very high188 Ų18872 Ų7288%0.87938%0.377SS*.THydrogen-bonded Turntrans-59.1135.3178.7-174.2176.3-0.900110.6
222G93.3Very high93.3Very high14 Ų1470.8 Ų70.814%0.14437%0.369CS..THydrogen-bonded Turntrans89.43.5-176.200000114.3D220 I235D220-G222 PolarHBondContact O-N 3.07Å; G222-I235 WeakPolarHBondContact O-CB 3.29Å; G222-I235 PolarHBondContact O-N 3.19Å
223Y96.1Very high93.4Very high61 Ų6166.3 Ų66.324%0.23936%0.357CS..EExtended strand (participates in β ladder)trans-125.8150.7177.8-64.5-97.9000111.6Q206 D220 C232 N233 D234 P253 G254Q206-Y223 VanDerWaalsContact NE2-CD1 3.27Å; Q206-Y223 VanDerWaalsContact NE2-CG 3.32Å; D220-Y223 HydrophobicContact CB-CD2 4.4Å; D220-Y223 PolarHBondContact O-N 3.37Å; D220-Y223 VanDerWaalsContact O-N 3.17Å; Y223-C232 HydrophobicContact CD1-CB 4.46Å; Y223-N233 CarbonylContact C-O 3.57Å; Y223-N233 WeakPolarHBondContact CA-O 3.48Å; Y223-N233 WeakPolarHBondContact CB-O 3.16Å; Y223-D234 HydrophobicContact CD1-CB 4.19Å; Y223-D234 HydrophobicContact CE1-CB 3.96Å; Y223-P253 VanDerWaalsContact OH-C 3.28Å; Y223-P253 WeakPolarHBondContact OH-CB 3.41Å; Y223-G254 PolarHBondContact OH-N 3.17Å
224E94.4Very high93.7Very high115 Ų11567.6 Ų67.654%0.53736%0.358SS..EExtended strand (participates in β ladder)trans-117.7146.6173.964.1175.8-177.100111.7G226 C232 N233 I235E224-G226 PolarHBondContact O-N 3.05Å; E224-C232 CarbonylContact O-C 3.59Å; E224-C232 WeakPolarHBondContact O-CA 3.31Å; E224-N233 HydrophobicContact CG-CB 4.4Å; E224-N233 PolarHBondContact N-O 3.17Å; E224-N233 PolarHBondContact O-N 3.3Å; E224-I235 HydrophobicContact CB-CD1 4.22Å; E224-I235 HydrophobicContact CB-CG1 3.94Å; E224-I235 HydrophobicContact CG-CG1 4.05Å
225L95.4Very high93.9Very high81 Ų8167 Ų6742%0.42435%0.352SS..EExtended strand (participates in β ladder)trans-74.9124.1179.2-166.568.1000109.5C217C217-L225 HydrophobicContact CB-CD1 4.08Å
226G92.7Very high93.9Very high9 Ų967.8 Ų67.89%0.09336%0.358CS..  trans-64.2166.7177.600000112.9E224 D228 G229 T231E224-G226 PolarHBondContact O-N 3.05Å; G226-D228 PolarHBondContact O-N 3.15Å; G226-D228 VanDerWaalsContact O-N 3.16Å; G226-G229 PolarHBondContact O-N 3.26Å; G226-T231 WeakPolarHBondContact CA-O 3.44Å; G226-T231 PolarHBondContact N-O 2.9Å
227P92.5Very high94Very high144 Ų14465.4 Ų65.494%0.93535%0.346SS*.THydrogen-bonded Turntrans-66-17.2-17928.5-35.8000113.3G229P227-G229 VanDerWaalsContact C-N 3.27Å
228D89.9Confident93.9Very high73 Ų7366.3 Ų66.339%0.3935%0.352SS..THydrogen-bonded Turntrans-74.6-16.7173.365.3-15.7000112.8G226 F230 T231G226-D228 PolarHBondContact O-N 3.15Å; G226-D228 VanDerWaalsContact O-N 3.16Å; D228-F230 VanDerWaalsContact C-N 3.26Å; D228-F230 HydrophobicContact CB-CD2 4.37Å; D228-F230 WeakPolarHBondContact O-CD2 3.34Å; D228-F230 WeakPolarHBondContact O-CE2 3.03Å; D228-F230 PolarHBondContact O-N 3.15Å; D228-F230 PolarHBondContact OD1-N 2.71Å; D228-T231 PolarHBondContact OD1-N 3.32Å; D228-T231 VanDerWaalsContact OD2-CB 3.26Å; D228-T231 WeakPolarHBondContact OD2-CB 3.45Å; D228-T231 PolarHBondContact OD2-N 3.38Å; D228-T231 PolarHBondContact OD2-OG1 3.29Å
229G89.9Confident93.7Very high28 Ų2870.1 Ų70.129%0.28937%0.366SS..SBendtrans77.76-177.900000114.6C217 G226 P227C217-G229 WeakPolarHBondContact CB-O 3.01Å; G226-G229 PolarHBondContact O-N 3.26Å; P227-G229 VanDerWaalsContact C-N 3.27Å
230F92.2Very high93.2Very high79 Ų7973.2 Ų73.235%0.34639%0.389SS..SBendtrans-127.9-33.6-173.8-55.4-63.8000113.4P203 S205 F215 C217 D228P203-F230 HydrophobicContact CB-CD1 4.34Å; P203-F230 HydrophobicContact CB-CG 4.38Å; P203-F230 HydrophobicContact CG-CD1 3.63Å; P203-F230 HydrophobicContact CG-CE1 3.82Å; P203-F230 HydrophobicContact CG-CG 4.09Å; P203-F230 HydrophobicContact CG-CZ 4.38Å; S205-F230 PolarHBondContact N-O 2.9Å; S205-F230 PolarHBondContact OG-O 3.46Å; F215-F230 HydrophobicContact CE1-CE1 4.49Å; F215-F230 AromaticContact CE2-CD1 3.9Å; F215-F230 HydrophobicContact CE2-CD1 3.9Å; F215-F230 AromaticContact CE2-CE1 3.53Å; F215-F230 HydrophobicContact CE2-CE1 3.53Å; F215-F230 HydrophobicContact CZ-CD1 4.13Å; F215-F230 AromaticContact CZ-CE1 3.39Å; F215-F230 HydrophobicContact CZ-CE1 3.39Å; F215-F230 HydrophobicContact CZ-CZ 4.22Å; C217-F230 VanDerWaalsContact SG-CD1 3.6Å; D228-F230 VanDerWaalsContact C-N 3.26Å; D228-F230 HydrophobicContact CB-CD2 4.37Å; D228-F230 WeakPolarHBondContact O-CD2 3.34Å; D228-F230 WeakPolarHBondContact O-CE2 3.03Å; D228-F230 PolarHBondContact O-N 3.15Å; D228-F230 PolarHBondContact OD1-N 2.71Å
231T94.4Very high92.4Very high58 Ų5871.6 Ų71.636%0.35638%0.382SS..  trans-90.4131.7-177-57.70000110.5S205 G226 D228S205-T231 WeakPolarHBondContact OG-CA 3.22Å; G226-T231 WeakPolarHBondContact CA-O 3.44Å; G226-T231 PolarHBondContact N-O 2.9Å; D228-T231 PolarHBondContact OD1-N 3.32Å; D228-T231 VanDerWaalsContact OD2-CB 3.26Å; D228-T231 WeakPolarHBondContact OD2-CB 3.45Å; D228-T231 PolarHBondContact OD2-N 3.38Å; D228-T231 PolarHBondContact OD2-OG1 3.29Å
232C96Very high91.3Very high14 Ų1467.7 Ų67.710%0.09538%0.376CS..EExtended strand (participates in β ladder)trans-99.8109174.8-70.80000108.6S205 Q206 C219 Y223 E224S205-C232 WeakPolarHBondContact OG-CB 3.3Å; S205-C232 PolarHBondContact OG-N 2.73Å; Q206-C232 HydrophobicContact CG-CB 3.88Å; C219-C232 WeakPolarHBondContact CA-SG 3.42Å; C219-C232 HydrophobicContact CB-CB 3.7Å; C219-C232 WeakPolarHBondContact CB-SG 3.39Å; C219-C232 WeakPolarHBondContact SG-CA 3.4Å; C219-C232 WeakPolarHBondContact SG-CB 3.41Å; C219-C232 CovalentContact SG-SG 2.04Å; C219-C232 PolarHBondContact SG-SG 3.15Å; Y223-C232 HydrophobicContact CD1-CB 4.46Å; E224-C232 CarbonylContact O-C 3.59Å; E224-C232 WeakPolarHBondContact O-CA 3.31Å
233N94.6Very high90.6Very high69 Ų6977 Ų7737%0.36941%0.408SS..EExtended strand (participates in β ladder)trans-89.7138.7179.1-61.7-49.2000109.4Y223 E224 I235Y223-N233 CarbonylContact C-O 3.57Å; Y223-N233 WeakPolarHBondContact CA-O 3.48Å; Y223-N233 WeakPolarHBondContact CB-O 3.16Å; E224-N233 HydrophobicContact CG-CB 4.4Å; E224-N233 PolarHBondContact N-O 3.17Å; E224-N233 PolarHBondContact O-N 3.3Å; N233-I235 PolarHBondContact O-N 2.79Å
234D96.4Very high90.1Very high48 Ų4876.3 Ų76.326%0.25741%0.407SS..EExtended strand (participates in β ladder)trans-61.5132.1174.1-177.660.7000110.5Y223 D236 N251 P253 G254Y223-D234 HydrophobicContact CD1-CB 4.19Å; Y223-D234 HydrophobicContact CE1-CB 3.96Å; D234-D236 PolarHBondContact O-N 3.46Å; D234-N251 PolarHBondContact OD2-ND2 3.18Å; D234-P253 WeakPolarHBondContact OD1-CA 3.41Å; D234-G254 PolarHBondContact OD1-N 3.23Å
235I94.3Very high89.9Confident59 Ų5971.3 Ų71.330%0.30339%0.385SS..  trans-80.3110.3176.6-63.4171000107.2G222 E224 N233 E237G222-I235 WeakPolarHBondContact O-CB 3.29Å; G222-I235 PolarHBondContact O-N 3.19Å; E224-I235 HydrophobicContact CB-CD1 4.22Å; E224-I235 HydrophobicContact CB-CG1 3.94Å; E224-I235 HydrophobicContact CG-CG1 4.05Å; N233-I235 PolarHBondContact O-N 2.79Å; I235-E237 HydrophobicContact CG2-CG 4.29Å; I235-E237 PolarHBondContact O-N 2.6Å; I235-E237 VanDerWaalsContact O-OE2 3.07Å
236D93.9Very high89.7Confident54 Ų5471.2 Ų71.229%0.28938%0.382SS..  trans-73.689.9174.3-170.7-25.3000110.4D234 C238 R239 S240D234-D236 PolarHBondContact O-N 3.46Å; D236-C238 PolarHBondContact O-N 2.98Å; D236-C238 WeakPolarHBondContact OD1-CB 3.21Å; D236-C238 PolarHBondContact OD1-N 3.41Å; D236-C238 VanDerWaalsContact OD1-N 3.15Å; D236-R239 HydrophobicContact CB-CB 4.22Å; D236-R239 HydrophobicContact CB-CG 4.21Å; D236-R239 VanDerWaalsContact CG-CG 3.45Å; D236-R239 PolarHBondContact O-N 2.78Å; D236-R239 VanDerWaalsContact O-N 3.15Å; D236-R239 PolarHBondContact OD1-N 2.85Å; D236-R239 WeakPolarHBondContact OD2-CD 3.37Å; D236-R239 WeakPolarHBondContact OD2-CG 3.47Å; D236-S240 PolarHBondContact O-N 2.74Å
237E92.8Very high89.7Confident30 Ų3074.6 Ų74.614%0.1440%0.395CS..Hα-helixtrans-64.2-31.2-178.7-5799.415200110.9I235 R239 S240 S241 H244 N251 F256I235-E237 HydrophobicContact CG2-CG 4.29Å; I235-E237 PolarHBondContact O-N 2.6Å; I235-E237 VanDerWaalsContact O-OE2 3.07Å; E237-R239 PolarHBondContact O-N 2.04Å; E237-S240 WeakPolarHBondContact O-CB 3.29Å; E237-S240 PolarHBondContact O-N 2.82Å; E237-S240 VanDerWaalsContact O-N 3.07Å; E237-S241 PolarHBondContact O-N 3.39Å; E237-H244 PolarHBondContact O-CD2 2.93Å; E237-N251 PolarHBondContact OE2-OD1 3.41Å; E237-F256 HydrophobicContact CB-CB 4.26Å; E237-F256 HydrophobicContact CB-CD1 3.62Å; E237-F256 HydrophobicContact CB-CE1 4.29Å; E237-F256 HydrophobicContact CB-CG 4.05Å; E237-F256 HydrophobicContact CG-CD1 3.74Å; E237-F256 HydrophobicContact CG-CE1 4.37Å; E237-F256 WeakPolarHBondContact OE2-CB 3.07Å; E237-F256 PolarHBondContact OE2-N 2.92Å
238C92.4Very high89.6Confident29 Ų2974.2 Ų74.220%0.19637%0.374CS..Hα-helixtrans-64.7-25.8178.3-57.20000113D236 C249 V250 N251D236-C238 PolarHBondContact O-N 2.98Å; D236-C238 WeakPolarHBondContact OD1-CB 3.21Å; D236-C238 PolarHBondContact OD1-N 3.41Å; D236-C238 VanDerWaalsContact OD1-N 3.15Å; C238-C249 WeakPolarHBondContact CA-SG 3.34Å; C238-C249 HydrophobicContact CB-CB 3.74Å; C238-C249 WeakPolarHBondContact CB-SG 3.42Å; C238-C249 WeakPolarHBondContact SG-CB 3.41Å; C238-C249 CovalentContact SG-SG 2.04Å; C238-C249 PolarHBondContact SG-SG 2.98Å; C238-V250 PolarHBondContact SG-N 2.02Å; C238-V250 VanDerWaalsContact SG-N 3.42Å; C238-N251 PolarHBondContact SG-N 3.42Å
239R91.3Very high89.9Confident217 Ų21772.4 Ų72.482%0.81937%0.367SS*.Hα-helixtrans-82.9-26.6172.6-71.9178.976.8176.63.6113.5D236 E237D236-R239 HydrophobicContact CB-CB 4.22Å; D236-R239 HydrophobicContact CB-CG 4.21Å; D236-R239 VanDerWaalsContact CG-CG 3.45Å; D236-R239 PolarHBondContact O-N 2.78Å; D236-R239 VanDerWaalsContact O-N 3.15Å; D236-R239 PolarHBondContact OD1-N 2.85Å; D236-R239 WeakPolarHBondContact OD2-CD 3.37Å; D236-R239 WeakPolarHBondContact OD2-CG 3.47Å; E237-R239 PolarHBondContact O-N 2.04Å
240S84.6Confident90.1Very high98 Ų9873.3 Ų73.369%0.68537%0.367SS*.Hα-helixtrans-70.4-41.8-179.2-174.10000112.1D236 E237D236-S240 PolarHBondContact O-N 2.74Å; E237-S240 WeakPolarHBondContact O-CB 3.29Å; E237-S240 PolarHBondContact O-N 2.82Å; E237-S240 VanDerWaalsContact O-N 3.07Å
241S78.3Confident90.1Very high35 Ų3572 Ų7225%0.24536%0.363CS..  trans-156.3128.3177.8179.10000112.9E237 Y243 H244E237-S241 PolarHBondContact O-N 3.39Å; S241-Y243 PolarHBondContact O-N 3.41Å; S241-Y243 PolarHBondContact OG-N 3.2Å; S241-H244 PolarHBondContact O-CD2 3.3Å; S241-H244 PolarHBondContact O-N 3.4Å
242S72.1Confident90.1Very high106 Ų10672.1 Ų72.174%0.74136%0.36SS*.G310 helixtrans-67.4-12.7173.1-48.70000113.5H244S242-H244 VanDerWaalsContact C-N 3.31Å; S242-H244 PolarHBondContact O-N 3.17Å
243Y78.1Confident90.1Very high210 Ų21076.4 Ų76.482%0.82439%0.387SS*.G310 helixtrans-87.84.6-177.4-55.8-71.4000113.7S241 C245S241-Y243 PolarHBondContact O-N 3.41Å; S241-Y243 PolarHBondContact OG-N 3.2Å; Y243-C245 VanDerWaalsContact C-N 3.3Å; Y243-C245 PolarHBondContact O-N 3.05Å
244H84.9Confident90Very high46 Ų4674 Ų7421%0.21338%0.38CS..G310 helixtrans-71.9-23.3178.2-72.9-43.3000113.7E237 S241 S242 F256 R270E237-H244 PolarHBondContact O-CD2 2.93Å; S241-H244 PolarHBondContact O-CD2 3.3Å; S241-H244 PolarHBondContact O-N 3.4Å; S242-H244 VanDerWaalsContact C-N 3.31Å; S242-H244 PolarHBondContact O-N 3.17Å; H244-F256 HydrophobicContact CB-CD2 4.44Å; H244-F256 HydrophobicContact CB-CE2 3.87Å; H244-F256 HydrophobicContact CB-CZ 4.18Å; H244-R270 PolarHBondContact ND1-NH2 2.86Å; H244-R270 WeakPolarHBondContact O-CG 3.49Å; H244-R270 PolarHBondContact O-NE 3.42Å
245C91.3Very high89.8Confident11 Ų1177.3 Ų77.37%0.07439%0.392CS..SBendtrans-131.3147.3176.5-62.10000109.3Y243 F247 C249 C258Y243-C245 VanDerWaalsContact C-N 3.3Å; Y243-C245 PolarHBondContact O-N 3.05Å; C245-F247 VanDerWaalsContact C-N 3.29Å; C245-F247 PolarHBondContact O-N 3.16Å; C245-C249 HydrophobicContact CB-CB 4.2Å; C245-C249 VanDerWaalsContact SG-CA 3.55Å; C245-C258 WeakPolarHBondContact CA-SG 3.05Å; C245-C258 HydrophobicContact CB-CB 3.68Å; C245-C258 WeakPolarHBondContact CB-SG 3.29Å; C245-C258 WeakPolarHBondContact SG-CA 3.44Å; C245-C258 WeakPolarHBondContact SG-CB 3.42Å; C245-C258 CovalentContact SG-SG 2.03Å; C245-C258 PolarHBondContact SG-SG 3.19Å
246Q91.1Very high89.8Confident78 Ų7877.1 Ų77.136%0.36439%0.389SS..SBendtrans-69.4-28.4178-170.8168.935.300112.9R270 M271 C272 F434Q246-R270 VanDerWaalsContact CB-O 3.29Å; Q246-R270 WeakPolarHBondContact CB-O 3.26Å; Q246-R270 PolarHBondContact N-O 3.1Å; Q246-M271 VanDerWaalsContact OE1-CA 3.23Å; Q246-C272 PolarHBondContact OE1-O 2.72Å; Q246-F434 VanDerWaalsContact CD-CB 3.46Å; Q246-F434 HydrophobicContact CG-CB 3.71Å; Q246-F434 HydrophobicContact CG-CD1 3.61Å; Q246-F434 HydrophobicContact CG-CD2 3.97Å; Q246-F434 HydrophobicContact CG-CE1 4.17Å; Q246-F434 HydrophobicContact CG-CG 3.49Å; Q246-F434 VanDerWaalsContact CG-CG 3.49Å; Q246-F434 WeakPolarHBondContact O-CE1 3.49Å
247F91.9Very high89.8Confident81 Ų8176.3 Ų76.336%0.35539%0.387SS..SBendtrans-120.8-77.1177.5-177.6-119.4000113.3C245 V259 P261 Y432 F434C245-F247 VanDerWaalsContact C-N 3.29Å; C245-F247 PolarHBondContact O-N 3.16Å; F247-V259 WeakPolarHBondContact CD1-O 3.35Å; F247-P261 HydrophobicContact CD1-CB 4.05Å; F247-P261 VanDerWaalsContact CD1-CD 3.48Å; F247-P261 HydrophobicContact CD1-CG 4.13Å; F247-P261 HydrophobicContact CD2-CG 4.41Å; F247-P261 HydrophobicContact CE1-CB 3.76Å; F247-P261 HydrophobicContact CE1-CG 4.32Å; F247-P261 HydrophobicContact CE2-CB 4.43Å; F247-P261 HydrophobicContact CG-CB 4.5Å; F247-P261 HydrophobicContact CG-CG 4.18Å; F247-P261 HydrophobicContact CZ-CB 3.97Å; F247-Y432 HydrophobicContact CD2-CD1 4.07Å; F247-Y432 AromaticContact CD2-CE1 3.98Å; F247-Y432 HydrophobicContact CD2-CE1 3.98Å; F247-Y432 AromaticContact CE2-CD1 3.81Å; F247-Y432 HydrophobicContact CE2-CD1 3.81Å; F247-Y432 AromaticContact CE2-CE1 3.29Å; F247-Y432 HydrophobicContact CE2-CE1 3.29Å; F247-Y432 AromaticContact CE2-CZ 3.93Å; F247-Y432 AromaticContact CZ-CE1 3.92Å; F247-Y432 HydrophobicContact CZ-CE1 3.92Å; F247-F434 HydrophobicContact CB-CE1 4.01Å; F247-F434 HydrophobicContact CB-CZ 3.72Å; F247-F434 HydrophobicContact CD2-CE1 4.09Å; F247-F434 HydrophobicContact CD2-CZ 4.01Å; F247-F434 HydrophobicContact CG-CE1 4.49Å; F247-F434 HydrophobicContact CG-CZ 4.14Å
248R92.2Very high89.9Confident136 Ų13675.5 Ų75.551%0.51338%0.384SS..EExtended strand (participates in β ladder)trans-131.4127.2-174.9-170.217069.5114.3-1.3111.5C258 V259R248-C258 WeakPolarHBondContact O-CA 3.1Å; R248-V259 PolarHBondContact N-O 3.38Å; R248-V259 PolarHBondContact O-N 2.85Å
249C94.4Very high90Very high34 Ų3476.4 Ų76.423%0.2339%0.389CS..EExtended strand (participates in β ladder)trans-91.1139.2173.1-172.80000110.2C238 C245C238-C249 WeakPolarHBondContact CA-SG 3.34Å; C238-C249 HydrophobicContact CB-CB 3.74Å; C238-C249 WeakPolarHBondContact CB-SG 3.42Å; C238-C249 WeakPolarHBondContact SG-CB 3.41Å; C238-C249 CovalentContact SG-SG 2.04Å; C238-C249 PolarHBondContact SG-SG 2.98Å; C245-C249 HydrophobicContact CB-CB 4.2Å; C245-C249 VanDerWaalsContact SG-CA 3.55Å
250V94Very high90.2Very high47 Ų4767.1 Ų67.129%0.28536%0.357SS..EExtended strand (participates in β ladder)trans-125.8119.2172.9-179.60000108C238 F256 S257 V259C238-V250 PolarHBondContact SG-N 2.02Å; C238-V250 VanDerWaalsContact SG-N 3.42Å; V250-F256 WeakPolarHBondContact O-CA 3.46Å; V250-S257 PolarHBondContact N-O 2.84Å; V250-S257 PolarHBondContact O-N 2.99Å; V250-V259 HydrophobicContact CG2-CG2 3.72Å
251N94.1Very high90.6Very high51 Ų5162.9 Ų62.927%0.27333%0.327SS..EExtended strand (participates in β ladder)trans-76134.2177.5-169.946.5000110D234 E237 C238D234-N251 PolarHBondContact OD2-ND2 3.18Å; E237-N251 PolarHBondContact OE2-OD1 3.41Å; C238-N251 PolarHBondContact SG-N 3.42Å
252E94.4Very high91.3Very high62 Ų6270.3 Ų70.329%0.2936%0.358SS..EExtended strand (participates in β ladder)trans-131.1160.5177.8-52.3-178.1116.600109.4G254 K255E252-G254 PolarHBondContact O-N 3.14Å; E252-K255 CarbonylContact C-O 3.47Å; E252-K255 VanDerWaalsContact CA-O 3.22Å; E252-K255 WeakPolarHBondContact CA-O 3.28Å; E252-K255 HydrophobicContact CB-CG 4.18Å; E252-K255 VanDerWaalsContact CB-O 3.28Å; E252-K255 WeakPolarHBondContact CB-O 3.22Å; E252-K255 PolarHBondContact N-O 3.22Å; E252-K255 CarbonylContact O-C 3.48Å; E252-K255 PolarHBondContact O-N 3.43Å; E252-K255 IonicContact OE1-NZ 3.4Å; E252-K255 WeakPolarHBondContact OE2-CE 3.43Å; E252-K255 IonicContact OE2-NZ 3.14Å; E252-K255 PolarHBondContact OE2-NZ 2.04Å
253P94.4Very high92.3Very high103 Ų10365.9 Ų65.967%0.66933%0.33SS*.THydrogen-bonded Turntrans-61.7115.1179-24.235000112.7Y223 D234 K255Y223-P253 VanDerWaalsContact OH-C 3.28Å; Y223-P253 WeakPolarHBondContact OH-CB 3.41Å; D234-P253 WeakPolarHBondContact OD1-CA 3.41Å; P253-K255 VanDerWaalsContact C-N 3.35Å
254G92.9Very high93.1Very high20 Ų2056.7 Ų56.721%0.20629%0.293CS..THydrogen-bonded Turntrans81.13.917800000115.4Y223 D234 E252Y223-G254 PolarHBondContact OH-N 3.17Å; D234-G254 PolarHBondContact OD1-N 3.23Å; E252-G254 PolarHBondContact O-N 3.14Å
255K93.3Very high93.5Very high117 Ų11759.1 Ų59.151%0.50931%0.305SS..EExtended strand (participates in β ladder)trans-167.4168.5-178.360.6176.7173.6112.90111.2E252 P253E252-K255 CarbonylContact C-O 3.47Å; E252-K255 VanDerWaalsContact CA-O 3.22Å; E252-K255 WeakPolarHBondContact CA-O 3.28Å; E252-K255 HydrophobicContact CB-CG 4.18Å; E252-K255 VanDerWaalsContact CB-O 3.28Å; E252-K255 WeakPolarHBondContact CB-O 3.22Å; E252-K255 PolarHBondContact N-O 3.22Å; E252-K255 CarbonylContact O-C 3.48Å; E252-K255 PolarHBondContact O-N 3.43Å; E252-K255 IonicContact OE1-NZ 3.4Å; E252-K255 WeakPolarHBondContact OE2-CE 3.43Å; E252-K255 IonicContact OE2-NZ 3.14Å; E252-K255 PolarHBondContact OE2-NZ 2.04Å; P253-K255 VanDerWaalsContact C-N 3.35Å
256F93.5Very high93.7Very high55 Ų5562.1 Ų62.124%0.24132%0.32CS..EExtended strand (participates in β ladder)trans-115.8160.5164.568.9-75.3000111.8E237 H244 V250E237-F256 HydrophobicContact CB-CB 4.26Å; E237-F256 HydrophobicContact CB-CD1 3.62Å; E237-F256 HydrophobicContact CB-CE1 4.29Å; E237-F256 HydrophobicContact CB-CG 4.05Å; E237-F256 HydrophobicContact CG-CD1 3.74Å; E237-F256 HydrophobicContact CG-CE1 4.37Å; E237-F256 WeakPolarHBondContact OE2-CB 3.07Å; E237-F256 PolarHBondContact OE2-N 2.92Å; H244-F256 HydrophobicContact CB-CD2 4.44Å; H244-F256 HydrophobicContact CB-CE2 3.87Å; H244-F256 HydrophobicContact CB-CZ 4.18Å; V250-F256 WeakPolarHBondContact O-CA 3.46Å
257S93.2Very high93.7Very high36 Ų3661 Ų6125%0.25232%0.318SS..EExtended strand (participates in β ladder)trans-125150.9169.463.80000111.4V250V250-S257 PolarHBondContact N-O 2.84Å; V250-S257 PolarHBondContact O-N 2.99Å
258C95.1Very high93.6Very high13 Ų1360.2 Ų60.29%0.08833%0.333CS..EExtended strand (participates in β ladder)trans-102.2134.4175.2-61.70000109.8C245 R248 L266 T269C245-C258 WeakPolarHBondContact CA-SG 3.05Å; C245-C258 HydrophobicContact CB-CB 3.68Å; C245-C258 WeakPolarHBondContact CB-SG 3.29Å; C245-C258 WeakPolarHBondContact SG-CA 3.44Å; C245-C258 WeakPolarHBondContact SG-CB 3.42Å; C245-C258 CovalentContact SG-SG 2.03Å; C245-C258 PolarHBondContact SG-SG 3.19Å; R248-C258 WeakPolarHBondContact O-CA 3.1Å; C258-L266 HydrophobicContact CB-CD1 3.81Å; C258-T269 PolarHBondContact SG-O 3.12Å; C258-T269 VanDerWaalsContact SG-O 3.42Å
259V94.6Very high93.4Very high49 Ų4958.9 Ų58.930%0.29734%0.341SS..EExtended strand (participates in β ladder)trans-113.5134177-178.50000108.6F247 R248 V250F247-V259 WeakPolarHBondContact CD1-O 3.35Å; R248-V259 PolarHBondContact N-O 3.38Å; R248-V259 PolarHBondContact O-N 2.85Å; V250-V259 HydrophobicContact CG2-CG2 3.72Å
260C95.2Very high93.3Very high22 Ų2262.2 Ų62.215%0.14935%0.348CS..PPolyproline II helixtrans-92.6154.2175-670000111.3C272C260-C272 WeakPolarHBondContact CA-SG 3.39Å; C260-C272 HydrophobicContact CB-CB 3.82Å; C260-C272 WeakPolarHBondContact CB-SG 3.03Å; C260-C272 WeakPolarHBondContact SG-CA 3.18Å; C260-C272 WeakPolarHBondContact SG-CB 3.48Å; C260-C272 CovalentContact SG-SG 2.05Å; C260-C272 PolarHBondContact SG-SG 3.05Å
261P94.7Very high93.2Very high9 Ų965.6 Ų65.66%0.05836%0.362CS..PPolyproline II helixtrans-68.5167.7174.328.5-30.4000111.1F247 Y264 Y432 F434F247-P261 HydrophobicContact CD1-CB 4.05Å; F247-P261 VanDerWaalsContact CD1-CD 3.48Å; F247-P261 HydrophobicContact CD1-CG 4.13Å; F247-P261 HydrophobicContact CD2-CG 4.41Å; F247-P261 HydrophobicContact CE1-CB 3.76Å; F247-P261 HydrophobicContact CE1-CG 4.32Å; F247-P261 HydrophobicContact CE2-CB 4.43Å; F247-P261 HydrophobicContact CG-CB 4.5Å; F247-P261 HydrophobicContact CG-CG 4.18Å; F247-P261 HydrophobicContact CZ-CB 3.97Å; P261-Y264 HydrophobicContact CG-CD2 3.7Å; P261-Y264 HydrophobicContact CG-CE2 4.26Å; P261-Y264 HydrophobicContact CG-CG 3.98Å; P261-Y264 WeakPolarHBondContact O-CB 3.49Å; P261-Y264 PolarHBondContact O-N 3.32Å; P261-Y264 VanDerWaalsContact O-N 3.12Å; P261-Y432 HydrophobicContact CB-CD2 4.23Å; P261-Y432 HydrophobicContact CB-CE1 4.34Å; P261-Y432 HydrophobicContact CB-CE2 3.31Å; P261-Y432 VanDerWaalsContact CB-OH 3.23Å; P261-Y432 WeakPolarHBondContact CB-OH 3.4Å; P261-Y432 HydrophobicContact CG-CD2 3.64Å; P261-Y432 HydrophobicContact CG-CE1 4.45Å; P261-Y432 HydrophobicContact CG-CE2 3.22Å; P261-Y432 HydrophobicContact CG-CG 4.41Å; P261-F434 HydrophobicContact CG-CE2 4.41Å; P261-F434 HydrophobicContact CG-CZ 4.11Å
262E92.6Very high93.2Very high190 Ų19063.5 Ų63.589%0.88835%0.352SS*.THydrogen-bonded Turntrans-57.5140.1174.5-168.7177.2-179.500111.3Y264E262-Y264 VanDerWaalsContact C-N 3.27Å; E262-Y264 WeakPolarHBondContact O-CD2 3Å
263G91.9Very high93.2Very high14 Ų1465.7 Ų65.714%0.14436%0.362CS..THydrogen-bonded Turntrans79.72.7-173.400000114.7I275G263-I275 WeakPolarHBondContact O-CB 3Å; G263-I275 PolarHBondContact O-N 2.85Å
264Y94.6Very high93.1Very high16 Ų1661.8 Ų61.86%0.06334%0.335CS..EExtended strand (participates in β ladder)trans-125.3145177.6-69-109.5000111.4P261 E262 C272 Q273 D274 H295 Y432 F434P261-Y264 HydrophobicContact CG-CD2 3.7Å; P261-Y264 HydrophobicContact CG-CE2 4.26Å; P261-Y264 HydrophobicContact CG-CG 3.98Å; P261-Y264 WeakPolarHBondContact O-CB 3.49Å; P261-Y264 PolarHBondContact O-N 3.32Å; P261-Y264 VanDerWaalsContact O-N 3.12Å; E262-Y264 VanDerWaalsContact C-N 3.27Å; E262-Y264 WeakPolarHBondContact O-CD2 3Å; Y264-C272 HydrophobicContact CD1-CB 4.22Å; Y264-Q273 CarbonylContact C-O 3.53Å; Y264-Q273 VanDerWaalsContact CA-O 3.27Å; Y264-Q273 WeakPolarHBondContact CA-O 3.48Å; Y264-Q273 VanDerWaalsContact CD1-C 3.49Å; Y264-D274 HydrophobicContact CD1-CB 4.4Å; Y264-D274 VanDerWaalsContact CD1-N 3.35Å; Y264-D274 HydrophobicContact CE1-CB 4.18Å; Y264-H295 WeakPolarHBondContact OH-CB 3.11Å; Y264-Y432 AromaticContact CE2-CD2 3.9Å; Y264-Y432 HydrophobicContact CE2-CD2 3.9Å; Y264-Y432 HydrophobicContact CE2-CE2 4.16Å; Y264-F434 HydrophobicContact CD1-CE2 4.07Å; Y264-F434 HydrophobicContact CE1-CD2 4.27Å; Y264-F434 HydrophobicContact CE1-CE2 4.01Å
265Q93.8Very high93.2Very high98 Ų9862.6 Ų62.646%0.45834%0.335SS..EExtended strand (participates in β ladder)trans-111.7147.3174.960179.1-5.200111.5V267 C272 Q273 I275Q265-V267 HydrophobicContact CG-CG2 4.26Å; Q265-V267 PolarHBondContact O-N 3.44Å; Q265-C272 WeakPolarHBondContact O-CA 3.38Å; Q265-Q273 PolarHBondContact N-O 2.84Å; Q265-Q273 PolarHBondContact O-N 3.46Å; Q265-I275 HydrophobicContact CB-CD1 4.2Å; Q265-I275 HydrophobicContact CB-CG1 3.9Å; Q265-I275 HydrophobicContact CG-CG1 3.91Å
266L95.1Very high93.2Very high73 Ų7358.7 Ų58.738%0.38232%0.319SS..EExtended strand (participates in β ladder)trans-76.3119.4175.8-169.875.4000109.5C258 M271C258-L266 HydrophobicContact CB-CD1 3.81Å; L266-M271 CarbonylContact C-O 3.39Å; L266-M271 WeakPolarHBondContact CA-O 3.22Å; L266-M271 WeakPolarHBondContact CD1-O 3.44Å
267V92.9Very high93.3Very high54 Ų5457 Ų5733%0.32731%0.312SS..EExtended strand (participates in β ladder)trans-109124.2175.9-179.10000109.2Q265 M271 Q273Q265-V267 HydrophobicContact CG-CG2 4.26Å; Q265-V267 PolarHBondContact O-N 3.44Å; V267-M271 PolarHBondContact N-O 3.46Å; V267-Q273 HydrophobicContact CB-CB 4.41Å; V267-Q273 HydrophobicContact CG2-CB 3.56Å
268G89.1Confident93.3Very high66 Ų6657 Ų5768%0.6831%0.311SS*.THydrogen-bonded Turntrans69.9-125.9-16700000110.5
269T88.4Confident93.3Very high108 Ų10864 Ų6466%0.66334%0.343SS*.THydrogen-bonded Turntrans-120.8-10.4-176.852.50000114.5C258C258-T269 PolarHBondContact SG-O 3.12Å; C258-T269 VanDerWaalsContact SG-O 3.42Å
270R91.4Very high93.3Very high104 Ų10465.5 Ų65.539%0.39235%0.352SS..THydrogen-bonded Turntrans-141.4-16.8-167.6-54.6178.3111.9152.612.9115.6H244 Q246H244-R270 PolarHBondContact ND1-NH2 2.86Å; H244-R270 WeakPolarHBondContact O-CG 3.49Å; H244-R270 PolarHBondContact O-NE 3.42Å; Q246-R270 VanDerWaalsContact CB-O 3.29Å; Q246-R270 WeakPolarHBondContact CB-O 3.26Å; Q246-R270 PolarHBondContact N-O 3.1Å
271M92.3Very high93.1Very high117 Ų11766.7 Ų66.758%0.57637%0.369SS*.EExtended strand (participates in β ladder)trans-105.3140.7-171.3-64-174.1-70.200110.7Q246 L266 V267Q246-M271 VanDerWaalsContact OE1-CA 3.23Å; L266-M271 CarbonylContact C-O 3.39Å; L266-M271 WeakPolarHBondContact CA-O 3.22Å; L266-M271 WeakPolarHBondContact CD1-O 3.44Å; V267-M271 PolarHBondContact N-O 3.46Å
272C94.6Very high93Very high8 Ų872.9 Ų72.95%0.05440%0.397CS..EExtended strand (participates in β ladder)trans-103.6124.2175.9-63.80000109Q246 C260 Y264 Q265 F434Q246-C272 PolarHBondContact OE1-O 2.72Å; C260-C272 WeakPolarHBondContact CA-SG 3.39Å; C260-C272 HydrophobicContact CB-CB 3.82Å; C260-C272 WeakPolarHBondContact CB-SG 3.03Å; C260-C272 WeakPolarHBondContact SG-CA 3.18Å; C260-C272 WeakPolarHBondContact SG-CB 3.48Å; C260-C272 CovalentContact SG-SG 2.05Å; C260-C272 PolarHBondContact SG-SG 3.05Å; Y264-C272 HydrophobicContact CD1-CB 4.22Å; Q265-C272 WeakPolarHBondContact O-CA 3.38Å; C272-F434 HydrophobicContact CB-CD2 4.08Å; C272-F434 HydrophobicContact CB-CE2 3.54Å; C272-F434 HydrophobicContact CB-CZ 4.29Å
273Q92.8Very high93Very high108 Ų10867 Ų6751%0.50537%0.369SS..EExtended strand (participates in β ladder)trans-113.3137.3174.4-171.5175.20.600109.2Y264 Q265 V267 I275Y264-Q273 CarbonylContact C-O 3.53Å; Y264-Q273 VanDerWaalsContact CA-O 3.27Å; Y264-Q273 WeakPolarHBondContact CA-O 3.48Å; Y264-Q273 VanDerWaalsContact CD1-C 3.49Å; Q265-Q273 PolarHBondContact N-O 2.84Å; Q265-Q273 PolarHBondContact O-N 3.46Å; V267-Q273 HydrophobicContact CB-CB 4.41Å; V267-Q273 HydrophobicContact CG2-CB 3.56Å; Q273-I275 PolarHBondContact O-N 2.65Å
274D93.3Very high93.1Very high21 Ų2174.7 Ų74.711%0.11240%0.401CS..EExtended strand (participates in β ladder)trans-51.5133.1170.4-17563.1000111.3Y264 N293 H295 G296Y264-D274 HydrophobicContact CD1-CB 4.4Å; Y264-D274 VanDerWaalsContact CD1-N 3.35Å; Y264-D274 HydrophobicContact CE1-CB 4.18Å; D274-N293 PolarHBondContact OD2-ND2 3.13Å; D274-H295 WeakPolarHBondContact OD1-CA 3.43Å; D274-H295 IonicContact OD1-ND1 2.77Å; D274-H295 IonicContact OD2-ND1 3.64Å; D274-G296 PolarHBondContact OD1-N 2.83Å
275I94.3Very high93Very high37 Ų3774.8 Ų74.819%0.1940%0.404CS..  trans-82.5117.8172.5-61.6170.1000106.7G263 Q265 Q273 E277 T280 N293G263-I275 WeakPolarHBondContact O-CB 3Å; G263-I275 PolarHBondContact O-N 2.85Å; Q265-I275 HydrophobicContact CB-CD1 4.2Å; Q265-I275 HydrophobicContact CB-CG1 3.9Å; Q265-I275 HydrophobicContact CG-CG1 3.91Å; Q273-I275 PolarHBondContact O-N 2.65Å; I275-E277 HydrophobicContact CG2-CG 4.22Å; I275-E277 PolarHBondContact O-N 2.8Å; I275-E277 VanDerWaalsContact O-N 3.11Å; I275-E277 VanDerWaalsContact O-OE2 3.04Å; I275-T280 HydrophobicContact CG2-CG2 4.38Å; I275-N293 PolarHBondContact O-OD1 2.96Å
276N94.6Very high92.9Very high35 Ų3572.6 Ų72.619%0.18740%0.399CS..  trans-82.290.1175.2-173.6-19.1000110.1C278 E279 T280 N293N276-C278 PolarHBondContact O-N 3.32Å; N276-C278 WeakPolarHBondContact OD1-CB 3.46Å; N276-C278 PolarHBondContact OD1-N 2.87Å; N276-E279 HydrophobicContact CB-CB 4.12Å; N276-E279 HydrophobicContact CB-CG 4.39Å; N276-E279 VanDerWaalsContact ND2-CG 3.29Å; N276-E279 WeakPolarHBondContact ND2-CG 3.32Å; N276-E279 PolarHBondContact ND2-OE1 3.05Å; N276-E279 PolarHBondContact ND2-OE2 2.71Å; N276-E279 PolarHBondContact O-N 2.04Å; N276-E279 PolarHBondContact OD1-N 3.27Å; N276-E279 VanDerWaalsContact OD1-N 3.15Å; N276-T280 WeakPolarHBondContact O-CG2 3.42Å; N276-T280 PolarHBondContact O-N 3.32Å; N276-T280 PolarHBondContact O-OG1 2.93Å; N276-N293 WeakPolarHBondContact CA-OD1 3.07Å; N276-N293 WeakPolarHBondContact OD1-CB 2.99Å
277E95.1Very high92.5Very high19 Ų1977.5 Ų77.59%0.08943%0.426CS..Hα-helixtrans-65.7-23.6-175.5-51.892.615300112.3I275 E279 T280 G281 E282 H283 N293 R297 Y298I275-E277 HydrophobicContact CG2-CG 4.22Å; I275-E277 PolarHBondContact O-N 2.8Å; I275-E277 VanDerWaalsContact O-N 3.11Å; I275-E277 VanDerWaalsContact O-OE2 3.04Å; E277-E279 VanDerWaalsContact C-N 3.34Å; E277-T280 WeakPolarHBondContact CA-OG1 3.49Å; E277-T280 PolarHBondContact O-OG1 2.93Å; E277-G281 PolarHBondContact O-N 2.83Å; E277-E282 PolarHBondContact O-N 3.34Å; E277-H283 HydrophobicContact CB-CB 4.44Å; E277-H283 PolarHBondContact O-CD2 2.86Å; E277-N293 PolarHBondContact OE2-OD1 3.33Å; E277-R297 VanDerWaalsContact OE1-CA 3.3Å; E277-R297 WeakPolarHBondContact OE1-CA 3.4Å; E277-R297 VanDerWaalsContact OE2-C 3.31Å; E277-Y298 HydrophobicContact CB-CD1 3.58Å; E277-Y298 HydrophobicContact CB-CE1 4.34Å; E277-Y298 HydrophobicContact CB-CG 4.11Å; E277-Y298 HydrophobicContact CG-CD1 3.71Å; E277-Y298 HydrophobicContact CG-CE1 4.41Å; E277-Y298 WeakPolarHBondContact OE2-CB 3.18Å; E277-Y298 PolarHBondContact OE2-N 2.02Å
278C93.8Very high92.1Very high35 Ų3579.8 Ų79.824%0.23644%0.44CS..Hα-helixtrans-69.1-29.7173.5-55.40000113.1N276 C291 V292 N293N276-C278 PolarHBondContact O-N 3.32Å; N276-C278 WeakPolarHBondContact OD1-CB 3.46Å; N276-C278 PolarHBondContact OD1-N 2.87Å; C278-C291 WeakPolarHBondContact CA-SG 3.36Å; C278-C291 HydrophobicContact CB-CB 3.77Å; C278-C291 WeakPolarHBondContact CB-SG 3.33Å; C278-C291 WeakPolarHBondContact SG-CB 3.44Å; C278-C291 CovalentContact SG-SG 2.04Å; C278-C291 PolarHBondContact SG-SG 3.01Å; C278-V292 PolarHBondContact SG-N 2.91Å; C278-V292 VanDerWaalsContact SG-N 3.4Å; C278-N293 HydrophobicContact CB-CB 4.49Å; C278-N293 PolarHBondContact SG-N 3.01Å
279E95.1Very high92.1Very high162 Ų16279.6 Ų79.676%0.75742%0.422SS*.Hα-helixtrans-88.8-36.1176.1-77.3175.9-167.900112.3N276 E277 G281N276-E279 HydrophobicContact CB-CB 4.12Å; N276-E279 HydrophobicContact CB-CG 4.39Å; N276-E279 VanDerWaalsContact ND2-CG 3.29Å; N276-E279 WeakPolarHBondContact ND2-CG 3.32Å; N276-E279 PolarHBondContact ND2-OE1 3.05Å; N276-E279 PolarHBondContact ND2-OE2 2.71Å; N276-E279 PolarHBondContact O-N 2.04Å; N276-E279 PolarHBondContact OD1-N 3.27Å; N276-E279 VanDerWaalsContact OD1-N 3.15Å; E277-E279 VanDerWaalsContact C-N 3.34Å; E279-G281 VanDerWaalsContact C-N 3.26Å; E279-G281 PolarHBondContact O-N 3.32Å
280T93.9Very high92Very high79 Ų7977.6 Ų77.649%0.48541%0.409SS..Hα-helixtrans-74.6-19.4177.663.80000112.5I275 N276 E277 E282I275-T280 HydrophobicContact CG2-CG2 4.38Å; N276-T280 WeakPolarHBondContact O-CG2 3.42Å; N276-T280 PolarHBondContact O-N 3.32Å; N276-T280 PolarHBondContact O-OG1 2.93Å; E277-T280 WeakPolarHBondContact CA-OG1 3.49Å; E277-T280 PolarHBondContact O-OG1 2.93Å; T280-E282 WeakPolarHBondContact OG1-CB 3.21Å; T280-E282 WeakPolarHBondContact OG1-CG 3.4Å; T280-E282 PolarHBondContact OG1-N 2.82Å
281G91.7Very high92Very high48 Ų4874 Ų7450%0.49540%0.4SS..THydrogen-bonded Turntrans77.48.9-173.700000113.1E277 E279 H283E277-G281 PolarHBondContact O-N 2.83Å; E279-G281 VanDerWaalsContact C-N 3.26Å; E279-G281 PolarHBondContact O-N 3.32Å; G281-H283 PolarHBondContact O-N 3.06Å
282E91.7Very high91.9Very high139 Ų13969.4 Ų69.465%0.6538%0.378SS*.  trans-82.737.1177.5-62.5-176.4154.400112E277 T280E277-E282 PolarHBondContact O-N 3.34Å; T280-E282 WeakPolarHBondContact OG1-CB 3.21Å; T280-E282 WeakPolarHBondContact OG1-CG 3.4Å; T280-E282 PolarHBondContact OG1-N 2.82Å
283H93.1Very high91.8Very high65 Ų6571 Ų7130%0.30139%0.386SS..  trans-112.8150.2178.566.167.6000111.8E277 G281 Y298E277-H283 HydrophobicContact CB-CB 4.44Å; E277-H283 PolarHBondContact O-CD2 2.86Å; G281-H283 PolarHBondContact O-N 3.06Å; H283-Y298 HydrophobicContact CB-CD1 4.29Å; H283-Y298 HydrophobicContact CB-CD2 3.76Å; H283-Y298 HydrophobicContact CB-CE1 4.28Å; H283-Y298 HydrophobicContact CB-CE2 3.78Å; H283-Y298 HydrophobicContact CB-CG 4.04Å
284Q94.7Very high91.7Very high176 Ų17665.9 Ų65.982%0.82236%0.363SS*.  trans-101.325.9179.3-59.6177.711.900113.6Y298Q284-Y298 WeakPolarHBondContact CB-OH 3.38Å; Q284-Y298 WeakPolarHBondContact CG-OH 3.4Å; Q284-Y298 PolarHBondContact N-OH 3.04Å
285C92.6Very high91.6Very high19 Ų1966.9 Ų66.913%0.12837%0.366CS..  trans-69.3140.6177.1-54.60000111.9Q289 C300C285-Q289 HydrophobicContact CB-CB 4.16Å; C285-C300 WeakPolarHBondContact CA-SG 3.31Å; C285-C300 HydrophobicContact CB-CB 3.75Å; C285-C300 WeakPolarHBondContact CB-SG 3.47Å; C285-C300 PolarHBondContact N-SG 3.29Å; C285-C300 VanDerWaalsContact N-SG 3.42Å; C285-C300 WeakPolarHBondContact SG-CA 3.37Å; C285-C300 WeakPolarHBondContact SG-CB 2.99Å; C285-C300 CovalentContact SG-SG 2.04Å; C285-C300 PolarHBondContact SG-SG 3.34Å
286S91.6Very high91.3Very high51 Ų5166.1 Ų66.136%0.35737%0.368SS..  trans-72.4164.1172.772.80000112T288 Q289S286-T288 PolarHBondContact O-N 2.8Å; S286-T288 PolarHBondContact OG-N 3Å; S286-T288 PolarHBondContact OG-OG1 3.27Å; S286-Q289 VanDerWaalsContact N-OE1 3.1Å; S286-Q289 WeakPolarHBondContact O-CB 3.48Å; S286-Q289 PolarHBondContact O-N 3.09Å; S286-Q289 WeakPolarHBondContact OG-CG 3.48Å; S286-Q289 PolarHBondContact OG-OE1 3.34Å
287D85.4Confident91.1Very high176 Ų17669.6 Ų69.694%0.94138%0.378SS*.THydrogen-bonded Turntrans-58.8-20.6175.1-60.4-31.1000113.7Q289D287-Q289 VanDerWaalsContact C-N 3.34Å
288T84.9Confident91Very high102 Ų10271.5 Ų71.563%0.62639%0.385SS*.THydrogen-bonded Turntrans-88.3-1.2176.757.40000113.9S286 A303S286-T288 PolarHBondContact O-N 2.8Å; S286-T288 PolarHBondContact OG-N 3Å; S286-T288 PolarHBondContact OG-OG1 3.27Å; T288-A303 WeakPolarHBondContact O-CB 3.01Å; T288-A303 PolarHBondContact O-N 2.98Å; T288-A303 VanDerWaalsContact O-N 3.1Å
289Q88.3Confident90.8Very high62 Ų6272.7 Ų72.729%0.2939%0.387SS..EExtended strand (participates in β ladder)trans-116.5147-175.6-71.8172.1-36.300111.2C285 S286 D287 C300 V301 D302C285-Q289 HydrophobicContact CB-CB 4.16Å; S286-Q289 VanDerWaalsContact N-OE1 3.1Å; S286-Q289 WeakPolarHBondContact O-CB 3.48Å; S286-Q289 PolarHBondContact O-N 3.09Å; S286-Q289 WeakPolarHBondContact OG-CG 3.48Å; S286-Q289 PolarHBondContact OG-OE1 3.34Å; D287-Q289 VanDerWaalsContact C-N 3.34Å; Q289-C300 HydrophobicContact CB-CB 4.24Å; Q289-V301 WeakPolarHBondContact CA-O 3.49Å; Q289-D302 WeakPolarHBondContact CG-OD1 3.46Å; Q289-D302 PolarHBondContact NE2-OD1 2.96Å; Q289-D302 VanDerWaalsContact NE2-OD1 3.16Å
290T87.6Confident90.6Very high66 Ų6666.6 Ų66.641%0.40536%0.362SS..EExtended strand (participates in β ladder)trans-96.8133.4170-49.50000108.8V301T290-V301 PolarHBondContact N-O 2.9Å; T290-V301 WeakPolarHBondContact O-CG2 3.04Å; T290-V301 PolarHBondContact O-N 2.7Å
291C91.1Very high90.3Very high28 Ų2863.5 Ų63.519%0.18934%0.343CS..EExtended strand (participates in β ladder)trans-78.5134.5172.6-171.60000110.3C278C278-C291 WeakPolarHBondContact CA-SG 3.36Å; C278-C291 HydrophobicContact CB-CB 3.77Å; C278-C291 WeakPolarHBondContact CB-SG 3.33Å; C278-C291 WeakPolarHBondContact SG-CB 3.44Å; C278-C291 CovalentContact SG-SG 2.04Å; C278-C291 PolarHBondContact SG-SG 3.01Å
292V90.1Very high89.9Confident21 Ų2165.8 Ų65.813%0.12734%0.344CS..EExtended strand (participates in β ladder)trans-123120172.4176.20000108.6C278 I294 Y298 Q299 V301 Y338C278-V292 PolarHBondContact SG-N 2.91Å; C278-V292 VanDerWaalsContact SG-N 3.4Å; V292-I294 HydrophobicContact CG1-CG2 4.1Å; V292-Y298 WeakPolarHBondContact O-CA 3.29Å; V292-Q299 PolarHBondContact N-O 3.38Å; V292-Q299 PolarHBondContact O-N 3.36Å; V292-V301 HydrophobicContact CB-CG2 4.49Å; V292-V301 HydrophobicContact CG2-CG2 3.47Å; V292-V301 VanDerWaalsContact CG2-CG2 3.47Å; V292-Y338 HydrophobicContact CB-CD2 4.48Å; V292-Y338 HydrophobicContact CG1-CD1 4.44Å; V292-Y338 HydrophobicContact CG1-CD2 4.04Å; V292-Y338 HydrophobicContact CG1-CG 3.77Å; V292-Y338 HydrophobicContact CG2-CD2 3.62Å; V292-Y338 HydrophobicContact CG2-CE2 3.88Å; V292-Y338 HydrophobicContact CG2-CG 4.14Å
293N92.1Very high88.9Confident42 Ų4261.3 Ų61.323%0.22533%0.331CS..EExtended strand (participates in β ladder)trans-77132.5176.7-172.744.7000110.8D274 I275 N276 E277 C278D274-N293 PolarHBondContact OD2-ND2 3.13Å; I275-N293 PolarHBondContact O-OD1 2.96Å; N276-N293 WeakPolarHBondContact CA-OD1 3.07Å; N276-N293 WeakPolarHBondContact OD1-CB 2.99Å; E277-N293 PolarHBondContact OE2-OD1 3.33Å; C278-N293 HydrophobicContact CB-CB 4.49Å; C278-N293 PolarHBondContact SG-N 3.01Å
294I91.4Very high87.8Confident1 Ų163.7 Ų63.71%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-137.1157.9179.456.8178.9000109.9V292 G296 R297 Q299 F428V292-I294 HydrophobicContact CG1-CG2 4.1Å; I294-G296 PolarHBondContact O-N 2.75Å; I294-R297 CarbonylContact C-O 3.5Å; I294-R297 WeakPolarHBondContact CA-O 3.43Å; I294-R297 HydrophobicContact CD1-CG 3.49Å; I294-R297 VanDerWaalsContact CD1-CG 3.49Å; I294-R297 VanDerWaalsContact CD1-CZ 3.4Å; I294-R297 HydrophobicContact CG1-CG 3.49Å; I294-R297 VanDerWaalsContact CG1-CG 3.49Å; I294-R297 WeakPolarHBondContact CG1-O 3.07Å; I294-R297 PolarHBondContact N-O 2.04Å; I294-R297 CarbonylContact O-C 3.59Å; I294-R297 PolarHBondContact O-N 3.43Å; I294-R297 VanDerWaalsContact O-N 3.13Å; I294-Q299 HydrophobicContact CD1-CB 4.09Å; I294-F428 HydrophobicContact CB-CB 4.31Å; I294-F428 HydrophobicContact CB-CD2 4.24Å; I294-F428 HydrophobicContact CB-CG 4.24Å; I294-F428 HydrophobicContact CD1-CD1 4.05Å; I294-F428 HydrophobicContact CD1-CE1 4.25Å; I294-F428 HydrophobicContact CD1-CG 4.23Å; I294-F428 HydrophobicContact CG2-CB 4.26Å; I294-F428 HydrophobicContact CG2-CD2 3.32Å; I294-F428 HydrophobicContact CG2-CE2 3.67Å; I294-F428 HydrophobicContact CG2-CG 3.79Å; I294-F428 HydrophobicContact CG2-CZ 4.42Å
295H90.2Very high86.9Confident41 Ų4156.9 Ų56.919%0.1931%0.312CS..THydrogen-bonded Turntrans-62.7114.3-174.8-81.6-41.5000112.3Y264 D274 T340Y264-H295 WeakPolarHBondContact OH-CB 3.11Å; D274-H295 WeakPolarHBondContact OD1-CA 3.43Å; D274-H295 IonicContact OD1-ND1 2.77Å; D274-H295 IonicContact OD2-ND1 3.64Å; H295-T340 WeakPolarHBondContact CB-OG1 3.29Å; H295-T340 PolarHBondContact CD2-OG1 2.72Å; H295-T340 VanDerWaalsContact CG-OG1 3.27Å; H295-T340 PolarHBondContact N-OG1 2.77Å; H295-T340 VanDerWaalsContact N-OG1 3.16Å
296G88.1Confident86.4Confident21 Ų2157 Ų5722%0.21631%0.314CS..THydrogen-bonded Turntrans85.82.3178.700000116D274 I294D274-G296 PolarHBondContact OD1-N 2.83Å; I294-G296 PolarHBondContact O-N 2.75Å
297R90.9Very high86Confident108 Ų10861.3 Ų61.341%0.40833%0.328SS..EExtended strand (participates in β ladder)trans-166177.1176.668.6-177.5-171.5-85.6-0.4111.5E277 I294E277-R297 VanDerWaalsContact OE1-CA 3.3Å; E277-R297 WeakPolarHBondContact OE1-CA 3.4Å; E277-R297 VanDerWaalsContact OE2-C 3.31Å; I294-R297 CarbonylContact C-O 3.5Å; I294-R297 WeakPolarHBondContact CA-O 3.43Å; I294-R297 HydrophobicContact CD1-CG 3.49Å; I294-R297 VanDerWaalsContact CD1-CG 3.49Å; I294-R297 VanDerWaalsContact CD1-CZ 3.4Å; I294-R297 HydrophobicContact CG1-CG 3.49Å; I294-R297 VanDerWaalsContact CG1-CG 3.49Å; I294-R297 WeakPolarHBondContact CG1-O 3.07Å; I294-R297 PolarHBondContact N-O 2.04Å; I294-R297 CarbonylContact O-C 3.59Å; I294-R297 PolarHBondContact O-N 3.43Å; I294-R297 VanDerWaalsContact O-N 3.13Å
298Y92.5Very high85.7Confident60 Ų6061.8 Ų61.824%0.23533%0.325CS..EExtended strand (participates in β ladder)trans-110.4164.3163.864.8-83.1000112.4E277 H283 Q284 V292E277-Y298 HydrophobicContact CB-CD1 3.58Å; E277-Y298 HydrophobicContact CB-CE1 4.34Å; E277-Y298 HydrophobicContact CB-CG 4.11Å; E277-Y298 HydrophobicContact CG-CD1 3.71Å; E277-Y298 HydrophobicContact CG-CE1 4.41Å; E277-Y298 WeakPolarHBondContact OE2-CB 3.18Å; E277-Y298 PolarHBondContact OE2-N 2.02Å; H283-Y298 HydrophobicContact CB-CD1 4.29Å; H283-Y298 HydrophobicContact CB-CD2 3.76Å; H283-Y298 HydrophobicContact CB-CE1 4.28Å; H283-Y298 HydrophobicContact CB-CE2 3.78Å; H283-Y298 HydrophobicContact CB-CG 4.04Å; Q284-Y298 WeakPolarHBondContact CB-OH 3.38Å; Q284-Y298 WeakPolarHBondContact CG-OH 3.4Å; Q284-Y298 PolarHBondContact N-OH 3.04Å; V292-Y298 WeakPolarHBondContact O-CA 3.29Å
299Q90.4Very high85.8Confident59 Ų5958.2 Ų58.228%0.27630%0.303SS..EExtended strand (participates in β ladder)trans-130.2130.2169-170.1169.4-0.600111.3V292 I294 V301V292-Q299 PolarHBondContact N-O 3.38Å; V292-Q299 PolarHBondContact O-N 3.36Å; I294-Q299 HydrophobicContact CD1-CB 4.09Å; Q299-V301 HydrophobicContact CG-CG1 4.09Å
300C91Very high85.8Confident35 Ų3557 Ų5724%0.23630%0.296CS..EExtended strand (participates in β ladder)trans-87.8123171.7-53.60000109.2C285 Q289C285-C300 WeakPolarHBondContact CA-SG 3.31Å; C285-C300 HydrophobicContact CB-CB 3.75Å; C285-C300 WeakPolarHBondContact CB-SG 3.47Å; C285-C300 PolarHBondContact N-SG 3.29Å; C285-C300 VanDerWaalsContact N-SG 3.42Å; C285-C300 WeakPolarHBondContact SG-CA 3.37Å; C285-C300 WeakPolarHBondContact SG-CB 2.99Å; C285-C300 CovalentContact SG-SG 2.04Å; C285-C300 PolarHBondContact SG-SG 3.34Å; Q289-C300 HydrophobicContact CB-CB 4.24Å
301V86.9Confident85.8Confident13 Ų1356.2 Ų56.28%0.07929%0.292CS..EExtended strand (participates in β ladder)trans-124132.7-177.8-73.20000109.4Q289 T290 V292 Q299 A303 Y338Q289-V301 WeakPolarHBondContact CA-O 3.49Å; T290-V301 PolarHBondContact N-O 2.9Å; T290-V301 WeakPolarHBondContact O-CG2 3.04Å; T290-V301 PolarHBondContact O-N 2.7Å; V292-V301 HydrophobicContact CB-CG2 4.49Å; V292-V301 HydrophobicContact CG2-CG2 3.47Å; V292-V301 VanDerWaalsContact CG2-CG2 3.47Å; Q299-V301 HydrophobicContact CG-CG1 4.09Å; V301-A303 PolarHBondContact O-N 3.24Å; V301-Y338 HydrophobicContact CG1-CE1 4.2Å; V301-Y338 HydrophobicContact CG2-CE2 4.13Å
302D84.2Confident85.4Confident96 Ų9658.8 Ų58.851%0.51330%0.301SS..EExtended strand (participates in β ladder)trans-58.7141.3-176.8-59.4-31.3000111.1Q289 N304 R305Q289-D302 WeakPolarHBondContact CG-OD1 3.46Å; Q289-D302 PolarHBondContact NE2-OD1 2.96Å; Q289-D302 VanDerWaalsContact NE2-OD1 3.16Å; D302-N304 VanDerWaalsContact C-N 3.26Å; D302-N304 PolarHBondContact O-N 3.21Å; D302-R305 WeakPolarHBondContact O-CG 3.14Å; D302-R305 PolarHBondContact O-NE 2.87Å
303A69.1Low84.9Confident46 Ų4662.6 Ų62.638%0.3832%0.32SS..SBendtrans-66-30.7178.500000112T288 V301T288-A303 WeakPolarHBondContact O-CB 3.01Å; T288-A303 PolarHBondContact O-N 2.98Å; T288-A303 VanDerWaalsContact O-N 3.1Å; V301-A303 PolarHBondContact O-N 3.24Å
304N71.2Confident84.2Confident114 Ų11463.2 Ų63.261%0.6133%0.328SS*.  trans-104.478-176.2-157.13.3000112D302 C306D302-N304 VanDerWaalsContact C-N 3.26Å; D302-N304 PolarHBondContact O-N 3.21Å; N304-C306 VanDerWaalsContact C-N 3.34Å; N304-C306 PolarHBondContact O-N 2.89Å
305R75Confident83.1Confident33 Ų3369.5 Ų69.513%0.12536%0.362CS..  trans-87.11.5-172.5-53.4-164.6-164.6125.910.3115.5D302 Q307 N316 Y338D302-R305 WeakPolarHBondContact O-CG 3.14Å; D302-R305 PolarHBondContact O-NE 2.87Å; R305-Q307 PolarHBondContact O-N 2.86Å; R305-N316 VanDerWaalsContact CZ-OD1 3.3Å; R305-N316 PolarHBondContact NH1-OD1 3.02Å; R305-N316 PolarHBondContact NH2-OD1 2.76Å; R305-Y338 WeakPolarHBondContact CD-OH 3.25Å; R305-Y338 PolarHBondContact NE-OH 3.35Å; R305-Y338 VanDerWaalsContact NE-OH 3.16Å; R305-Y338 PolarHBondContact NH1-OH 3.25Å
306C81.8Confident82.5Confident23 Ų2369.6 Ų69.616%0.15536%0.364CS..  trans-77.1111.2-175.6-55.40000109.8N304 H312 C318N304-C306 VanDerWaalsContact C-N 3.34Å; N304-C306 PolarHBondContact O-N 2.89Å; C306-H312 VanDerWaalsContact SG-CA 3.51Å; C306-C318 WeakPolarHBondContact CA-SG 3.43Å; C306-C318 HydrophobicContact CB-CB 3.86Å; C306-C318 WeakPolarHBondContact CB-SG 3.01Å; C306-C318 WeakPolarHBondContact SG-CA 3.48Å; C306-C318 WeakPolarHBondContact SG-CB 3.46Å; C306-C318 CovalentContact SG-SG 2.04Å; C306-C318 PolarHBondContact SG-SG 3.04Å
307Q83.4Confident82.4Confident141 Ų14170.6 Ų70.666%0.65936%0.363SS*.  trans-72.1143169.4-67.1178.5-19.700109.4R305 Y310R305-Q307 PolarHBondContact O-N 2.86Å; Q307-Y310 VanDerWaalsContact O-CB 3.31Å; Q307-Y310 WeakPolarHBondContact O-CB 3.02Å; Q307-Y310 PolarHBondContact O-N 3.34Å
308E79.5Confident82.4Confident186 Ų18665.6 Ų65.687%0.86935%0.345SS*.THydrogen-bonded Turntrans-53.9135.5169.4-69.3-136.2151.300109.9
309P88Confident82.3Confident27 Ų2763.4 Ų63.418%0.17534%0.338CS..THydrogen-bonded Turncis-94.36.514.336-35.8000116K324 A326 L330P309-K324 PolarHBondContact O-NZ 2.87Å; P309-A326 HydrophobicContact CB-CB 3.79Å; P309-A326 HydrophobicContact CG-CB 3.98Å; P309-L330 HydrophobicContact CG-CD1 3.44Å; P309-L330 VanDerWaalsContact CG-CD1 3.44Å
310Y87.7Confident82.3Confident35 Ų3560.8 Ų60.814%0.13733%0.326CS..  trans-67.6145.2-177.1-70.2-91.8000112.4Q307 C318 C320 L330 P331 V334Q307-Y310 VanDerWaalsContact O-CB 3.31Å; Q307-Y310 WeakPolarHBondContact O-CB 3.02Å; Q307-Y310 PolarHBondContact O-N 3.34Å; Y310-C318 HydrophobicContact CD1-CB 4.04Å; Y310-C318 HydrophobicContact CG-CB 4.19Å; Y310-C320 HydrophobicContact CD1-CB 3.75Å; Y310-C320 HydrophobicContact CE1-CB 3.52Å; Y310-L330 HydrophobicContact CE2-CD1 4.22Å; Y310-P331 VanDerWaalsContact CE1-O 3.26Å; Y310-P331 WeakPolarHBondContact CE1-O 3.39Å; Y310-P331 VanDerWaalsContact OH-CD 3.3Å; Y310-P331 WeakPolarHBondContact OH-CD 3.01Å; Y310-P331 PolarHBondContact OH-O 3.4Å; Y310-V334 HydrophobicContact CD1-CG2 4.32Å; Y310-V334 HydrophobicContact CE1-CB 4.41Å; Y310-V334 HydrophobicContact CE1-CG2 3.61Å; Y310-V334 HydrophobicContact CE2-CG2 4.17Å
311T86.7Confident81.9Confident51 Ų5160.8 Ų60.831%0.31333%0.326SS..EExtended strand (participates in β ladder)trans-107.7137.5171.953.20000110.2N313 V319 K324T311-N313 PolarHBondContact O-N 2.92Å; T311-V319 PolarHBondContact N-O 3.5Å; T311-V319 PolarHBondContact O-N 3.21Å; T311-V319 PolarHBondContact OG1-O 3.21Å; T311-K324 VanDerWaalsContact CG2-NZ 3.28Å
312H83.4Confident81.6Confident82 Ų8267.4 Ų67.438%0.3836%0.355SS..EExtended strand (participates in β ladder)trans-63.9127172.3-175-91.5000110.2C306 S314C306-H312 VanDerWaalsContact SG-CA 3.51Å; H312-S314 PolarHBondContact NE2-O 3.35Å
313N80.2Confident81.6Confident100 Ų10067.9 Ų67.954%0.53537%0.366SS..EExtended strand (participates in β ladder)trans-107.5-54.4177-169.4-20.5000110.7T311 L317 V319T311-N313 PolarHBondContact O-N 2.92Å; N313-L317 HydrophobicContact CB-CD2 4.32Å; N313-L317 HydrophobicContact CB-CG 4.38Å; N313-L317 PolarHBondContact N-O 3.47Å; N313-V319 HydrophobicContact CB-CG1 4.04Å; N313-V319 HydrophobicContact CB-CG2 3.95Å
314S76.8Confident82.4Confident56 Ų5669 Ų6939%0.39236%0.362SS..EExtended strand (participates in β ladder)trans-150.3176.5177.860.80000110H312 N316 L317H312-S314 PolarHBondContact NE2-O 3.35Å; S314-N316 PolarHBondContact O-N 3.22Å; S314-L317 PolarHBondContact O-N 3.28Å
315D68.9Low83.1Confident133 Ų13369.3 Ų69.371%0.71137%0.371SS*.THydrogen-bonded Turntrans-50.1114.5-175.3-64.9-42.9000112.7L317D315-L317 PolarHBondContact O-N 3.26Å
316N76.6Confident83.8Confident43 Ų4371 Ų7123%0.2339%0.391CS..THydrogen-bonded Turntrans66.59.4-178.6-45.9-76.1000116R305 S314 V335 H336R305-N316 VanDerWaalsContact CZ-OD1 3.3Å; R305-N316 PolarHBondContact NH1-OD1 3.02Å; R305-N316 PolarHBondContact NH2-OD1 2.76Å; S314-N316 PolarHBondContact O-N 3.22Å; N316-V335 CarbonylContact O-C 3.54Å; N316-V335 VanDerWaalsContact O-CA 3.26Å; N316-V335 WeakPolarHBondContact O-CA 3.04Å; N316-H336 HydrophobicContact CB-CB 4.25Å; N316-H336 WeakPolarHBondContact CB-O 3.41Å; N316-H336 PolarHBondContact O-N 2.89Å
317L87Confident84Confident41 Ų4170.1 Ų70.122%0.21539%0.385CS..EExtended strand (participates in β ladder)trans-109.8113.4176.5174.867.1000110.9N313 S314 D315 V319 V335N313-L317 HydrophobicContact CB-CD2 4.32Å; N313-L317 HydrophobicContact CB-CG 4.38Å; N313-L317 PolarHBondContact N-O 3.47Å; S314-L317 PolarHBondContact O-N 3.28Å; D315-L317 PolarHBondContact O-N 3.26Å; L317-V319 HydrophobicContact CD1-CG1 4.24Å; L317-V319 HydrophobicContact CD2-CG1 4.35Å; L317-V319 HydrophobicContact CG-CG1 4.08Å; L317-V335 HydrophobicContact CD1-CG2 3.52Å
318C90.2Very high84Confident3 Ų373.5 Ų73.52%0.0239%0.392CS..EExtended strand (participates in β ladder)trans-102.7131.1173.5-61.70000109.3C306 Y310 S333 V334C306-C318 WeakPolarHBondContact CA-SG 3.43Å; C306-C318 HydrophobicContact CB-CB 3.86Å; C306-C318 WeakPolarHBondContact CB-SG 3.01Å; C306-C318 WeakPolarHBondContact SG-CA 3.48Å; C306-C318 WeakPolarHBondContact SG-CB 3.46Å; C306-C318 CovalentContact SG-SG 2.04Å; C306-C318 PolarHBondContact SG-SG 3.04Å; Y310-C318 HydrophobicContact CD1-CB 4.04Å; Y310-C318 HydrophobicContact CG-CB 4.19Å; C318-S333 CarbonylContact O-C 3.59Å; C318-S333 WeakPolarHBondContact O-CA 3.45Å; C318-V334 HydrophobicContact CB-CB 4.3Å; C318-V334 PolarHBondContact N-O 3.49Å; C318-V334 PolarHBondContact O-N 2.84Å
319V90.1Very high84.3Confident15 Ų1571.5 Ų71.59%0.09139%0.387CS..EExtended strand (participates in β ladder)trans-120142.1179.3-61.10000111.5T311 N313 L317 P321 Y332T311-V319 PolarHBondContact N-O 3.5Å; T311-V319 PolarHBondContact O-N 3.21Å; T311-V319 PolarHBondContact OG1-O 3.21Å; N313-V319 HydrophobicContact CB-CG1 4.04Å; N313-V319 HydrophobicContact CB-CG2 3.95Å; L317-V319 HydrophobicContact CD1-CG1 4.24Å; L317-V319 HydrophobicContact CD2-CG1 4.35Å; L317-V319 HydrophobicContact CG-CG1 4.08Å; V319-P321 WeakPolarHBondContact O-CD 3.46Å; V319-Y332 CarbonylContact C-O 3.18Å; V319-Y332 WeakPolarHBondContact CA-O 3.32Å
320C90Very high84.3Confident3 Ų373.3 Ų73.32%0.0240%0.395CS..  trans-110.794.6174.8-135.80000108Y310 C327 Y332Y310-C320 HydrophobicContact CD1-CB 3.75Å; Y310-C320 HydrophobicContact CE1-CB 3.52Å; C320-C327 WeakPolarHBondContact CA-SG 3.38Å; C320-C327 HydrophobicContact CB-CB 3.64Å; C320-C327 WeakPolarHBondContact CB-SG 3.38Å; C320-C327 VanDerWaalsContact SG-CA 3.5Å; C320-C327 WeakPolarHBondContact SG-CB 3.45Å; C320-C327 CovalentContact SG-SG 2.02Å; C320-C327 PolarHBondContact SG-SG 3.46Å; C320-Y332 PolarHBondContact N-O 3Å
321P83.7Confident84.5Confident35 Ų3571.8 Ų71.823%0.22739%0.39CS..  trans-68.8142.5-176.928.2-33.8000110.7V319 S323 K324V319-P321 WeakPolarHBondContact O-CD 3.46Å; P321-S323 PolarHBondContact O-N 3.43Å; P321-K324 HydrophobicContact CG-CD 4.27Å; P321-K324 HydrophobicContact CG-CG 4.13Å; P321-K324 PolarHBondContact O-N 3.28Å
322H80.3Confident84.6Confident153 Ų15374.3 Ų74.371%0.70839%0.394SS*.THydrogen-bonded Turntrans-58.9-17.8177.4-72.1-65.5000113.9K324H322-K324 PolarHBondContact O-N 3.48Å
323S83.6Confident84.9Confident105 Ų10571.1 Ų71.173%0.73438%0.381SS*.THydrogen-bonded Turntrans-67.9-19.4174.555.90000113.7P321P321-S323 PolarHBondContact O-N 3.43Å
324K86.8Confident85.4Confident70 Ų7066.8 Ų66.830%0.30436%0.358SS..SBendtrans-92.1120.6177.1-74.9-170-178.5-169.10110.5P309 T311 P321 H322 A326 C327P309-K324 PolarHBondContact O-NZ 2.87Å; T311-K324 VanDerWaalsContact CG2-NZ 3.28Å; P321-K324 HydrophobicContact CG-CD 4.27Å; P321-K324 HydrophobicContact CG-CG 4.13Å; P321-K324 PolarHBondContact O-N 3.28Å; H322-K324 PolarHBondContact O-N 3.48Å; K324-A326 PolarHBondContact O-N 3.13Å; K324-C327 HydrophobicContact CB-CB 4.27Å; K324-C327 WeakPolarHBondContact O-CB 3.06Å; K324-C327 PolarHBondContact O-N 2.84Å
325P86.5Confident86Confident121 Ų12165.7 Ų65.779%0.78635%0.349SS*.G310 helixtrans-58.5-35179.5-24.132.9000113.4C327 R328P325-C327 PolarHBondContact O-N 2.94Å; P325-C327 VanDerWaalsContact O-N 3.16Å; P325-R328 WeakPolarHBondContact O-CB 3.44Å; P325-R328 PolarHBondContact O-N 3.34Å
326A87.8Confident87Confident67 Ų6760.3 Ų60.355%0.55432%0.32SS*.G310 helixtrans-63.6-16.2177.300000113.8P309 K324 L330P309-A326 HydrophobicContact CB-CB 3.79Å; P309-A326 HydrophobicContact CG-CB 3.98Å; K324-A326 PolarHBondContact O-N 3.13Å; A326-L330 WeakPolarHBondContact O-CD1 3.35Å
327C87.1Confident87.6Confident5 Ų563.4 Ų63.43%0.03433%0.328CS..G310 helixtrans-89.4-3.3-179.6-68.20000114.3C320 K324 P325 D329 L330C320-C327 WeakPolarHBondContact CA-SG 3.38Å; C320-C327 HydrophobicContact CB-CB 3.64Å; C320-C327 WeakPolarHBondContact CB-SG 3.38Å; C320-C327 VanDerWaalsContact SG-CA 3.5Å; C320-C327 WeakPolarHBondContact SG-CB 3.45Å; C320-C327 CovalentContact SG-SG 2.02Å; C320-C327 PolarHBondContact SG-SG 3.46Å; K324-C327 HydrophobicContact CB-CB 4.27Å; K324-C327 WeakPolarHBondContact O-CB 3.06Å; K324-C327 PolarHBondContact O-N 2.84Å; P325-C327 PolarHBondContact O-N 2.94Å; P325-C327 VanDerWaalsContact O-N 3.16Å; C327-D329 VanDerWaalsContact C-N 3.3Å; C327-D329 PolarHBondContact O-N 3.19Å; C327-L330 PolarHBondContact O-N 2.88Å
328R83.9Confident87.7Confident213 Ų21364 Ų6480%0.80433%0.328SS*.THydrogen-bonded Turntrans-56.2-41.3-168.9-174.9179.4178178.4-0.9113.9P325P325-R328 WeakPolarHBondContact O-CB 3.44Å; P325-R328 PolarHBondContact O-N 3.34Å
329D85.1Confident87.8Confident143 Ų14365.4 Ų65.477%0.76534%0.335SS*.THydrogen-bonded Turntrans-110.512.5-176.1-56.8-47.1000112.6C327C327-D329 VanDerWaalsContact C-N 3.3Å; C327-D329 PolarHBondContact O-N 3.19Å
330L88.7Confident87.9Confident65 Ų6566.5 Ų66.534%0.3434%0.341SS..SBendtrans-101.5153179.1-66179.9000110.8P309 Y310 A326 C327 Y332P309-L330 HydrophobicContact CG-CD1 3.44Å; P309-L330 VanDerWaalsContact CG-CD1 3.44Å; Y310-L330 HydrophobicContact CE2-CD1 4.22Å; A326-L330 WeakPolarHBondContact O-CD1 3.35Å; C327-L330 PolarHBondContact O-N 2.88Å; L330-Y332 PolarHBondContact O-N 3.41Å
331P90.4Very high88Confident3 Ų366.4 Ų66.42%0.01934%0.341CS..  trans-52.7138.8168.9-23.629.7000111.3Y310 S333 S420 V422Y310-P331 VanDerWaalsContact CE1-O 3.26Å; Y310-P331 WeakPolarHBondContact CE1-O 3.39Å; Y310-P331 VanDerWaalsContact OH-CD 3.3Å; Y310-P331 WeakPolarHBondContact OH-CD 3.01Å; Y310-P331 PolarHBondContact OH-O 3.4Å; P331-S333 VanDerWaalsContact C-N 3.27Å; P331-S333 PolarHBondContact O-N 3.01Å; P331-S420 CarbonylContact C-O 3.49Å; P331-S420 WeakPolarHBondContact CA-O 3.46Å; P331-V422 HydrophobicContact CB-CB 4.38Å; P331-V422 HydrophobicContact CB-CG2 3.8Å; P331-V422 HydrophobicContact CG-CB 4.37Å; P331-V422 HydrophobicContact CG-CG2 3.46Å; P331-V422 VanDerWaalsContact CG-CG2 3.46Å
332Y89.4Confident88.4Confident104 Ų10465.8 Ų65.841%0.40834%0.336SS..SBendtrans-59.1-39.6177.8175.1-100.4000111.7V319 C320 L330 S420V319-Y332 CarbonylContact C-O 3.18Å; V319-Y332 WeakPolarHBondContact CA-O 3.32Å; C320-Y332 PolarHBondContact N-O 3Å; L330-Y332 PolarHBondContact O-N 3.41Å; Y332-S420 WeakPolarHBondContact CB-O 3.32Å; Y332-S420 PolarHBondContact N-O 2.87Å
333S89.8Confident89Confident15 Ų1558.8 Ų58.811%0.10531%0.305CS..EExtended strand (participates in β ladder)trans-138.2151.3174.562.30000112.9C318 P331 S421 V422C318-S333 CarbonylContact O-C 3.59Å; C318-S333 WeakPolarHBondContact O-CA 3.45Å; P331-S333 VanDerWaalsContact C-N 3.27Å; P331-S333 PolarHBondContact O-N 3.01Å; S333-S421 WeakPolarHBondContact O-CA 3.31Å; S333-S421 WeakPolarHBondContact OG-CB 3.33Å; S333-S421 PolarHBondContact OG-OG 3.26Å; S333-V422 PolarHBondContact O-N 3.41Å
334V90.9Very high89.4Confident10 Ų1059.5 Ų59.56%0.06130%0.296CS..EExtended strand (participates in β ladder)trans-125.4123.1171.2-178.40000107.8Y310 C318 V422 R424Y310-V334 HydrophobicContact CD1-CG2 4.32Å; Y310-V334 HydrophobicContact CE1-CB 4.41Å; Y310-V334 HydrophobicContact CE1-CG2 3.61Å; Y310-V334 HydrophobicContact CE2-CG2 4.17Å; C318-V334 HydrophobicContact CB-CB 4.3Å; C318-V334 PolarHBondContact N-O 3.49Å; C318-V334 PolarHBondContact O-N 2.84Å; V334-V422 CarbonylContact C-O 3.56Å; V334-V422 VanDerWaalsContact CA-O 3.24Å; V334-V422 WeakPolarHBondContact CA-O 3.05Å; V334-V422 HydrophobicContact CG2-CB 4.34Å; V334-R424 HydrophobicContact CG1-CB 4.24Å
335V89.9Confident89.5Confident33 Ų3360.9 Ų60.920%0.230%0.3CS..EExtended strand (participates in β ladder)trans-110.2129.5176.1179.30000109.2N316 L317 R337 V422 L423 R424N316-V335 CarbonylContact O-C 3.54Å; N316-V335 VanDerWaalsContact O-CA 3.26Å; N316-V335 WeakPolarHBondContact O-CA 3.04Å; L317-V335 HydrophobicContact CD1-CG2 3.52Å; V335-R337 HydrophobicContact CG1-CG 4.39Å; V335-V422 PolarHBondContact N-O 2.86Å; V335-L423 HydrophobicContact CB-CD1 4.22Å; V335-L423 HydrophobicContact CG1-CD1 4.15Å; V335-L423 CarbonylContact O-C 3.58Å; V335-L423 WeakPolarHBondContact O-CA 3.48Å; V335-R424 PolarHBondContact O-N 2.02Å
336H88.5Confident89.7Confident19 Ų1959.9 Ų59.99%0.08830%0.296CS..EExtended strand (participates in β ladder)trans-94.7132.7175.4-68.1-111.8000111N316 R424N316-H336 HydrophobicContact CB-CB 4.25Å; N316-H336 WeakPolarHBondContact CB-O 3.41Å; N316-H336 PolarHBondContact O-N 2.89Å; H336-R424 WeakPolarHBondContact CA-O 3.35Å
337R89.9Confident89.8Confident108 Ų10858.7 Ų58.741%0.40829%0.285SS..EExtended strand (participates in β ladder)trans-138.6152.8172.5-69.6-65.3-178.7-103.57.5110.5V335 L423 R424 L425 S426V335-R337 HydrophobicContact CG1-CG 4.39Å; R337-L423 HydrophobicContact CB-CD1 3.91Å; R337-L423 HydrophobicContact CG-CD1 3.52Å; R337-R424 PolarHBondContact N-O 3.39Å; R337-L425 HydrophobicContact CB-CD1 3.86Å; R337-L425 WeakPolarHBondContact O-CA 3.37Å; R337-S426 PolarHBondContact O-N 2.96Å
338Y89.4Confident90.1Very high54 Ų5463.1 Ų63.121%0.21231%0.314CS..EExtended strand (participates in β ladder)trans-124.2145176.4-53.9-84.5000108.9V292 V301 R305 S426 F428V292-Y338 HydrophobicContact CB-CD2 4.48Å; V292-Y338 HydrophobicContact CG1-CD1 4.44Å; V292-Y338 HydrophobicContact CG1-CD2 4.04Å; V292-Y338 HydrophobicContact CG1-CG 3.77Å; V292-Y338 HydrophobicContact CG2-CD2 3.62Å; V292-Y338 HydrophobicContact CG2-CE2 3.88Å; V292-Y338 HydrophobicContact CG2-CG 4.14Å; V301-Y338 HydrophobicContact CG1-CE1 4.2Å; V301-Y338 HydrophobicContact CG2-CE2 4.13Å; R305-Y338 WeakPolarHBondContact CD-OH 3.25Å; R305-Y338 PolarHBondContact NE-OH 3.35Å; R305-Y338 VanDerWaalsContact NE-OH 3.16Å; R305-Y338 PolarHBondContact NH1-OH 3.25Å; Y338-S426 WeakPolarHBondContact CA-O 3.3Å; Y338-F428 AromaticContact CD1-CE2 3.78Å; Y338-F428 HydrophobicContact CD1-CE2 3.78Å; Y338-F428 HydrophobicContact CD1-CZ 4.16Å; Y338-F428 HydrophobicContact CG-CE2 4.46Å
339M91.6Very high90.6Very high32 Ų3254 Ų5416%0.15828%0.283CS..EExtended strand (participates in β ladder)trans-148.5160.4169.365.8175.8-60.900109.3I341 I351 F352 L425 S426 I427 F428M339-I341 HydrophobicContact CE-CG2 3.71Å; M339-I351 HydrophobicContact CE-CB 4.25Å; M339-I351 VanDerWaalsContact CE-O 3.22Å; M339-I351 WeakPolarHBondContact CE-O 3.11Å; M339-F352 HydrophobicContact CE-CD2 4.5Å; M339-F352 HydrophobicContact SD-CB 4Å; M339-F352 HydrophobicContact SD-CD2 3.66Å; M339-F352 HydrophobicContact SD-CG 4.19Å; M339-L425 HydrophobicContact CG-CD1 3.94Å; M339-L425 HydrophobicContact CG-CG 4.38Å; M339-L425 HydrophobicContact SD-CD1 4.1Å; M339-L425 HydrophobicContact SD-CD2 3.84Å; M339-L425 HydrophobicContact SD-CG 4.29Å; M339-S426 PolarHBondContact N-O 3.25Å; M339-I427 HydrophobicContact CG-CB 4.22Å; M339-I427 HydrophobicContact CG-CG1 3.84Å; M339-I427 HydrophobicContact CG-CG2 4.11Å; M339-I427 WeakPolarHBondContact O-CA 3.2Å; M339-I427 HydrophobicContact SD-CD1 4.23Å; M339-I427 HydrophobicContact SD-CG1 3.98Å; M339-I427 HydrophobicContact SD-CG2 4.48Å; M339-F428 WeakPolarHBondContact O-CD2 3.03Å; M339-F428 PolarHBondContact O-N 3.39Å
340T92Very high91.1Very high38 Ų3850.6 Ų50.623%0.23327%0.265CS..EExtended strand (participates in β ladder)trans-122.1145.4175.8-172.90000109.4H295 F428H295-T340 WeakPolarHBondContact CB-OG1 3.29Å; H295-T340 PolarHBondContact CD2-OG1 2.72Å; H295-T340 VanDerWaalsContact CG-OG1 3.27Å; H295-T340 PolarHBondContact N-OG1 2.77Å; H295-T340 VanDerWaalsContact N-OG1 3.16Å; T340-F428 CarbonylContact C-O 3.5Å; T340-F428 VanDerWaalsContact CA-O 3.28Å; T340-F428 WeakPolarHBondContact CA-O 3.4Å; T340-F428 PolarHBondContact OG1-O 3.24Å
341I93.1Very high91.4Very high2 Ų248.5 Ų48.51%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-134153.4172.563.7175.1000109.3M339 V396 I427 F428 V429 G430M339-I341 HydrophobicContact CE-CG2 3.71Å; I341-V396 HydrophobicContact CD1-CG2 3.89Å; I341-I427 HydrophobicContact CD1-CG2 4Å; I341-I427 HydrophobicContact CG1-CG2 3.98Å; I341-I427 HydrophobicContact CG2-CG2 4.39Å; I341-F428 PolarHBondContact N-O 3.09Å; I341-V429 HydrophobicContact CD1-CG2 4.05Å; I341-V429 HydrophobicContact CG1-CB 4.39Å; I341-V429 HydrophobicContact CG1-CG1 4.36Å; I341-V429 HydrophobicContact CG1-CG2 3.96Å; I341-V429 WeakPolarHBondContact O-CA 3.03Å; I341-G430 PolarHBondContact O-N 2.77Å
342T92.8Very high91.6Very high22 Ų2250.6 Ų50.614%0.13526%0.263CS..  trans-75.2155.4175.556.20000111.6T433 F434T342-T433 WeakPolarHBondContact CB-O 3.25Å; T342-T433 PolarHBondContact OG1-O 3.17Å; T342-F434 VanDerWaalsContact CG2-C 3.43Å; T342-F434 WeakPolarHBondContact CG2-O 3.41Å
343S92.5Very high91.9Very high6 Ų649.8 Ų49.84%0.04227%0.265CS..THydrogen-bonded Turntrans-62.1147.6173.4-158.70000110.7R345 S397 G398 G430 Y432 T433S343-R345 PolarHBondContact O-N 2.78Å; S343-S397 WeakPolarHBondContact OG-CA 3.38Å; S343-G398 PolarHBondContact OG-N 2.83Å; S343-G430 VanDerWaalsContact CB-O 3.3Å; S343-G430 WeakPolarHBondContact CB-O 3.42Å; S343-Y432 VanDerWaalsContact CB-O 3.27Å; S343-Y432 WeakPolarHBondContact CB-O 3.49Å; S343-Y432 PolarHBondContact N-O 3.48Å; S343-T433 VanDerWaalsContact O-CA 3.29Å; S343-T433 WeakPolarHBondContact O-CA 3.25Å; S343-T433 WeakPolarHBondContact O-CG2 3.4Å
344E91.4Very high92.1Very high119 Ų11950 Ų5056%0.55627%0.265SS*.THydrogen-bonded Turntrans53.427.2174-49.1-164.6155.300114.5S346 V396 T433E344-S346 PolarHBondContact O-N 3.45Å; E344-V396 PolarHBondContact N-O 3.44Å; E344-T433 HydrophobicContact CB-CG2 3.96Å; E344-T433 HydrophobicContact CG-CG2 4.2Å
345R89.8Confident92Very high99 Ų9956 Ų5637%0.37429%0.292SS..  trans-53.5135.8175.2-173.9177.6-176.7121.8-3.6110S343 A347 L392S343-R345 PolarHBondContact O-N 2.78Å; R345-A347 PolarHBondContact O-N 3.5Å; R345-L392 HydrophobicContact CB-CD2 4.25Å
346S90.4Very high91.7Very high101 Ų10155.5 Ų55.571%0.70629%0.289SS*.  trans-51.8132178-55.60000111.3E344 S349E344-S346 PolarHBondContact O-N 3.45Å; S346-S349 WeakPolarHBondContact O-CB 3.06Å; S346-S349 PolarHBondContact O-OG 3Å
347A89.3Confident91.1Very high41 Ų4160.9 Ų60.934%0.33932%0.324SS..SBendtrans-124.8145.9177.400000110.6R345 L392 R394R345-A347 PolarHBondContact O-N 3.5Å; A347-L392 HydrophobicContact CB-CD2 4.33Å; A347-L392 HydrophobicContact CB-CG 4.32Å; A347-R394 VanDerWaalsContact CB-CA 3.42Å
348P93.3Very high90Very high98 Ų9862.8 Ų62.864%0.63634%0.342SS*.SBendcis-75.9139.42.530.5-34.1000112.8V391 L392P348-V391 HydrophobicContact CB-CG1 4.16Å; P348-L392 WeakPolarHBondContact CA-O 3.46Å
349S94.6Very high88.8Confident21 Ų2167.1 Ų67.115%0.14736%0.362CS..EExtended strand (participates in β ladder)trans-138.5136.8176.667.80000112.9S346 I351 V391 L392S346-S349 WeakPolarHBondContact O-CB 3.06Å; S346-S349 PolarHBondContact O-OG 3Å; S349-I351 PolarHBondContact O-N 2.94Å; S349-V391 WeakPolarHBondContact O-CA 3.41Å; S349-V391 WeakPolarHBondContact O-CG1 3.35Å; S349-L392 PolarHBondContact N-O 3.2Å; S349-L392 PolarHBondContact O-N 3.06Å
350D95.4Very high87.7Confident72 Ų7271.1 Ų71.139%0.38538%0.384SS..EExtended strand (participates in β ladder)trans-68.7119.1170.5-68-1.7000109R381 M389 V391D350-R381 IonicContact OD1-CZ 2.98Å; D350-R381 IonicContact OD1-NH2 2.87Å; D350-R381 PolarHBondContact OD1-NH2 2.85Å; D350-R381 IonicContact OD2-NH2 3.98Å; D350-R381 PolarHBondContact OD2-NH2 3.17Å; D350-M389 HydrophobicContact CB-CE 4.07Å; D350-M389 HydrophobicContact CB-CG 3.61Å; D350-M389 HydrophobicContact CB-SD 3.75Å; D350-M389 VanDerWaalsContact CG-CG 3.47Å; D350-V391 WeakPolarHBondContact OD1-CG2 3.36Å
351I95Very high86.6Confident21 Ų2175.4 Ų75.411%0.10841%0.41CS..EExtended strand (participates in β ladder)trans-117.7-25.1-174.159.4167.6000113.9M339 S349 F378 L390 L392 I427M339-I351 HydrophobicContact CE-CB 4.25Å; M339-I351 VanDerWaalsContact CE-O 3.22Å; M339-I351 WeakPolarHBondContact CE-O 3.11Å; S349-I351 PolarHBondContact O-N 2.94Å; I351-F378 HydrophobicContact CD1-CD1 3.72Å; I351-F378 HydrophobicContact CD1-CE1 3.54Å; I351-L390 HydrophobicContact CD1-CD2 3.94Å; I351-L390 HydrophobicContact CD1-CG 4.21Å; I351-L390 HydrophobicContact CG1-CB 4.38Å; I351-L390 HydrophobicContact CG1-CD2 4.17Å; I351-L390 HydrophobicContact CG1-CG 4.15Å; I351-L390 VanDerWaalsContact CG1-O 3.31Å; I351-L390 WeakPolarHBondContact CG1-O 3.43Å; I351-L390 PolarHBondContact N-O 2.99Å; I351-L392 HydrophobicContact CD1-CB 4.42Å; I351-L392 HydrophobicContact CG2-CB 4.07Å; I351-I427 HydrophobicContact CD1-CD1 4.18Å
352F95.6Very high85.5Confident47 Ų4777.6 Ų77.621%0.20643%0.433CS..EExtended strand (participates in β ladder)trans-152.2121.1-178.6-167.5-88.3000112M339 I354 L390 L423 L425M339-F352 HydrophobicContact CE-CD2 4.5Å; M339-F352 HydrophobicContact SD-CB 4Å; M339-F352 HydrophobicContact SD-CD2 3.66Å; M339-F352 HydrophobicContact SD-CG 4.19Å; F352-I354 HydrophobicContact CD1-CG1 3.97Å; F352-I354 HydrophobicContact CE1-CG1 4.26Å; F352-L390 HydrophobicContact CB-CB 3.99Å; F352-L390 HydrophobicContact CB-CD2 4.24Å; F352-L390 PolarHBondContact N-O 3.1Å; F352-L390 PolarHBondContact O-N 2.98Å; F352-L423 HydrophobicContact CD1-CD2 4.38Å; F352-L423 HydrophobicContact CE1-CD2 3.5Å; F352-L423 HydrophobicContact CZ-CD2 4.04Å; F352-L425 HydrophobicContact CB-CD2 4.21Å; F352-L425 HydrophobicContact CD1-CD2 4.18Å; F352-L425 HydrophobicContact CD2-CD1 4.09Å; F352-L425 HydrophobicContact CD2-CD2 4.11Å; F352-L425 HydrophobicContact CE2-CD1 3.85Å; F352-L425 HydrophobicContact CG-CD2 3.9Å; F352-L425 HydrophobicContact CZ-CD1 4.23Å
353L95.4Very high84.7Confident88 Ų8877.3 Ų77.346%0.46143%0.431SS..EExtended strand (participates in β ladder)trans-85.4122.5175.2177.865.8000110.2M389L353-M389 HydrophobicContact CB-CE 4.16Å; L353-M389 HydrophobicContact CB-SD 4.29Å; L353-M389 HydrophobicContact CD1-CE 4.01Å
354I93.1Very high84.3Confident18 Ų1881.6 Ų81.69%0.09245%0.449CS..EExtended strand (participates in β ladder)trans-98.3122.5172.5-49169.3000107.3F352 F367 I380 S387 A388 L406F352-I354 HydrophobicContact CD1-CG1 3.97Å; F352-I354 HydrophobicContact CE1-CG1 4.26Å; I354-F367 HydrophobicContact CG2-CD1 3.87Å; I354-F367 HydrophobicContact CG2-CE1 3.7Å; I354-I380 HydrophobicContact CD1-CD1 4.31Å; I354-S387 CarbonylContact O-C 3.56Å; I354-S387 WeakPolarHBondContact O-CA 3.28Å; I354-S387 VanDerWaalsContact O-CB 3.25Å; I354-S387 WeakPolarHBondContact O-CB 3.26Å; I354-A388 WeakPolarHBondContact CB-O 3.43Å; I354-A388 PolarHBondContact N-O 3.36Å; I354-A388 PolarHBondContact O-N 2.04Å; I354-L406 HydrophobicContact CD1-CB 4.42Å; I354-L406 HydrophobicContact CD1-CD1 3.88Å; I354-L406 HydrophobicContact CG1-CD1 4.46Å
355Q89.6Confident84.1Confident137 Ų13776.2 Ų76.264%0.6443%0.425SS*.EExtended strand (participates in β ladder)trans-138133.6179.5-175171.1-14.400111.1Y386Q355-Y386 WeakPolarHBondContact CA-O 3.33Å
356T83.7Confident84.2Confident22 Ų2274.4 Ų74.414%0.13543%0.425CS..  trans-79.3138.9176.665.40000111.3F367 Y386 M408T356-F367 HydrophobicContact CG2-CE1 4.32Å; T356-F367 HydrophobicContact CG2-CZ 3.92Å; T356-Y386 PolarHBondContact N-O 3.32Å; T356-Y386 WeakPolarHBondContact OG1-CB 3.06Å; T356-Y386 PolarHBondContact OG1-O 3.06Å; T356-M408 HydrophobicContact CG2-CE 4.4Å; T356-M408 HydrophobicContact CG2-SD 3.23Å; T356-M408 WeakPolarHBondContact CG2-SD 3Å
357T76.1Confident84.3Confident133 Ų13370.4 Ų70.482%0.81640%0.395SS*.SBendtrans-91.6-24.5-179.851.10000114.1
358N65.9Low84.6Confident148 Ų14874.5 Ų74.579%0.79140%0.401SS*.  trans-118.2127.8178.4-91.4-27.7000110.3
359F64.3Low84.7Confident144 Ų14471.9 Ų71.963%0.63238%0.381SS*.  trans-126.4119.5177.455.3-85.8000109.5Y386F359-Y386 HydrophobicContact CB-CD1 4.05Å; F359-Y386 HydrophobicContact CB-CE1 3.73Å
360L67.6Low84.8Confident117 Ų11776.2 Ų76.261%0.61340%0.395SS*.  trans-84130.5158.9-75.2158.3000106.9G362 S363L360-G362 PolarHBondContact O-N 2.03Å; L360-S363 VanDerWaalsContact CB-OG 3.26Å; L360-S363 WeakPolarHBondContact CB-OG 3.18Å; L360-S363 VanDerWaalsContact O-CB 3.28Å; L360-S363 WeakPolarHBondContact O-CB 3.49Å; L360-S363 PolarHBondContact O-N 2.04Å; L360-S363 PolarHBondContact O-OG 3.33Å
361T69.3Low84.8Confident128 Ų12875.5 Ų75.579%0.78540%0.395SS*.THydrogen-bonded Turntrans-55119.7178.73.90000110.3H412T361-H412 PolarHBondContact O-NE2 2.83Å
362G70.8Confident84.7Confident47 Ų4775.7 Ų75.749%0.48540%0.402SS..THydrogen-bonded Turntrans95.6-0.3-176.900000115.2L360 P413L360-G362 PolarHBondContact O-N 2.03Å; G362-P413 VanDerWaalsContact O-CD 3.25Å; G362-P413 WeakPolarHBondContact O-CD 2.99Å
363S76.4Confident84.7Confident16 Ų1674.6 Ų74.611%0.11240%0.399CS..  trans-70.9142.6169.3-47.40000110.9L360 G411L360-S363 VanDerWaalsContact CB-OG 3.26Å; L360-S363 WeakPolarHBondContact CB-OG 3.18Å; L360-S363 VanDerWaalsContact O-CB 3.28Å; L360-S363 WeakPolarHBondContact O-CB 3.49Å; L360-S363 PolarHBondContact O-N 2.04Å; L360-S363 PolarHBondContact O-OG 3.33Å; S363-G411 WeakPolarHBondContact CA-O 3.47Å
364F83Confident84.5Confident96 Ų9677.7 Ų77.742%0.42142%0.416SS..EExtended strand (participates in β ladder)trans-119.2137.3167.663.1-85.8000109.2G411 P413F364-G411 WeakPolarHBondContact CD1-O 3.5Å; F364-G411 PolarHBondContact N-O 3.43Å; F364-G411 PolarHBondContact O-N 2.81Å; F364-P413 HydrophobicContact CD1-CG 4.14Å; F364-P413 HydrophobicContact CE1-CG 3.97Å
365N88Confident84.5Confident6 Ų680.2 Ų80.23%0.03243%0.429CS..EExtended strand (participates in β ladder)trans-110.5139.8173.5-55.7-65000109.6F367 Q382 N385 M408 L409 S410N365-F367 HydrophobicContact CB-CE2 3.86Å; N365-F367 HydrophobicContact CB-CZ 3.87Å; N365-Q382 PolarHBondContact O-NE2 3.45Å; N365-N385 VanDerWaalsContact CB-O 3.25Å; N365-N385 WeakPolarHBondContact CB-O 3.02Å; N365-N385 PolarHBondContact N-O 3.01Å; N365-N385 PolarHBondContact ND2-O 3.45Å; N365-M408 HydrophobicContact CB-CG 4.05Å; N365-M408 HydrophobicContact CB-SD 4.27Å; N365-L409 WeakPolarHBondContact CA-O 3.47Å; N365-S410 WeakPolarHBondContact OD1-CA 3.23Å; N365-S410 VanDerWaalsContact OD1-CB 3.3Å; N365-S410 WeakPolarHBondContact OD1-CB 3.45Å; N365-S410 PolarHBondContact OD1-OG 3.04Å
366T90.8Very high84.7Confident62 Ų6283.6 Ų83.638%0.3844%0.436SS..EExtended strand (participates in β ladder)trans-116133.7169.3-55.20000108.4M408 L409T366-M408 WeakPolarHBondContact O-CA 3.46Å; T366-L409 PolarHBondContact N-O 3.14Å; T366-L409 PolarHBondContact O-N 2.74Å
367F94Very high85.2Confident17 Ų1782.6 Ų82.68%0.07543%0.43CS..EExtended strand (participates in β ladder)trans-112.4134.1-177.2-58.2-89.9000109.8I354 T356 N365 I380 A388 E407 M408I354-F367 HydrophobicContact CG2-CD1 3.87Å; I354-F367 HydrophobicContact CG2-CE1 3.7Å; T356-F367 HydrophobicContact CG2-CE1 4.32Å; T356-F367 HydrophobicContact CG2-CZ 3.92Å; N365-F367 HydrophobicContact CB-CE2 3.86Å; N365-F367 HydrophobicContact CB-CZ 3.87Å; F367-I380 HydrophobicContact CB-CD1 4.34Å; F367-I380 HydrophobicContact CB-CG2 3.84Å; F367-A388 HydrophobicContact CB-CB 3.82Å; F367-A388 HydrophobicContact CD1-CB 4.34Å; F367-A388 HydrophobicContact CD2-CB 3.54Å; F367-A388 HydrophobicContact CE2-CB 4.14Å; F367-A388 HydrophobicContact CG-CB 3.64Å; F367-E407 WeakPolarHBondContact CA-O 3.33Å; F367-M408 HydrophobicContact CD1-CB 4.02Å; F367-M408 HydrophobicContact CD1-CG 4.03Å; F367-M408 HydrophobicContact CE1-CB 4.01Å; F367-M408 HydrophobicContact CE1-CG 3.65Å; F367-M408 HydrophobicContact CE1-SD 3.8Å; F367-M408 HydrophobicContact CZ-CG 4.24Å; F367-M408 HydrophobicContact CZ-SD 4.2Å
368R94.8Very high86.2Confident126 Ų12676.7 Ų76.748%0.47539%0.393SS..EExtended strand (participates in β ladder)trans-145.7154.6176.666.7180-1771800.1111.9R370 E407R368-R370 PolarHBondContact O-N 2.91Å; R368-E407 HydrophobicContact CG-CB 4.14Å; R368-E407 IonicContact CZ-OE2 3.99Å; R368-E407 PolarHBondContact N-O 2.8Å; R368-E407 IonicContact NE-OE2 2.91Å; R368-E407 PolarHBondContact NE-OE2 2.74Å; R368-E407 IonicContact NH2-OE1 2.67Å; R368-E407 IonicContact NH2-OE2 2.68Å; R368-E407 PolarHBondContact NH2-OE2 2.99Å; R368-E407 PolarHBondContact O-N 3.43Å
369I96.4Very high87.7Confident43 Ų4374 Ų7422%0.22137%0.373CS..EExtended strand (participates in β ladder)trans-79.2115.5167.1-51.6179.1000106.7D373 F378 I380 L390 L406I369-D373 HydrophobicContact CD1-CB 4.38Å; I369-D373 HydrophobicContact CG2-CB 3.95Å; I369-F378 HydrophobicContact CD1-CB 3.89Å; I369-I380 HydrophobicContact CD1-CG1 4.37Å; I369-I380 HydrophobicContact CG1-CD1 3.8Å; I369-I380 HydrophobicContact CG1-CG1 3.77Å; I369-L390 HydrophobicContact CD1-CD1 4.19Å; I369-L406 HydrophobicContact CG1-CD2 3.99Å; I369-L406 HydrophobicContact CG2-CD2 4.42Å
370R94.9Very high89.2Confident113 Ų11368.8 Ų68.843%0.42635%0.351SS..EExtended strand (participates in β ladder)trans-83.5-40.2-180-179.4-179.1175.2-1650.9111.8R368 D405 E407R368-R370 PolarHBondContact O-N 2.91Å; R370-D405 WeakPolarHBondContact CA-O 3.5Å; R370-D405 HydrophobicContact CB-CB 4.28Å; R370-D405 VanDerWaalsContact CB-O 3.31Å; R370-D405 WeakPolarHBondContact CB-O 3.44Å; R370-D405 PolarHBondContact N-O 3.12Å; R370-E407 HydrophobicContact CB-CB 3.94Å
371S95.4Very high90.6Very high56 Ų5668.6 Ų68.639%0.39234%0.342SS..EExtended strand (participates in β ladder)trans-162167177.163.70000111.5D405S371-D405 PolarHBondContact O-N 3.41Å
372G93.6Very high91.7Very high25 Ų2566.7 Ų66.726%0.25832%0.324SS..SBendtrans99.8-4.517500000115.7T403 L404G372-T403 VanDerWaalsContact CA-O 3.3Å; G372-T403 WeakPolarHBondContact CA-O 3.31Å; G372-L404 WeakPolarHBondContact O-CD2 3.4Å
373D94.8Very high92.8Very high24 Ų2468.4 Ų68.413%0.12833%0.325CS..  trans-117.955.6179.8-172.826.9000112.2I369 N375 R376 D377 F378 L404I369-D373 HydrophobicContact CD1-CB 4.38Å; I369-D373 HydrophobicContact CG2-CB 3.95Å; D373-N375 PolarHBondContact O-N 3.34Å; D373-N375 VanDerWaalsContact O-N 3.15Å; D373-R376 PolarHBondContact O-N 2.88Å; D373-R376 WeakPolarHBondContact OD1-CA 3.25Å; D373-R376 PolarHBondContact OD1-N 3.11Å; D373-R376 VanDerWaalsContact OD1-N 3.13Å; D373-R376 WeakPolarHBondContact OD2-CA 3.4Å; D373-D377 PolarHBondContact OD1-N 3.08Å; D373-F378 HydrophobicContact CB-CD2 4.46Å; D373-F378 PolarHBondContact OD2-N 3.03Å; D373-F378 VanDerWaalsContact OD2-N 3.17Å; D373-L404 HydrophobicContact CB-CD2 4.01Å
374D92.5Very high93.4Very high153 Ų15371.2 Ų71.282%0.81834%0.339SS*.THydrogen-bonded Turntrans-59.9-28.6-178-59.1-39.2000112.3
375N92.1Very high93.6Very high71 Ų7170.6 Ų70.638%0.3834%0.34SS..THydrogen-bonded Turntrans-89.6-7.7-175.2-85.9-2.7000114.4D373 D377 R394 R400D373-N375 PolarHBondContact O-N 3.34Å; D373-N375 VanDerWaalsContact O-N 3.15Å; N375-D377 VanDerWaalsContact CB-OD2 3.3Å; N375-D377 WeakPolarHBondContact CB-OD2 3.48Å; N375-D377 PolarHBondContact O-N 2.04Å; N375-R394 PolarHBondContact O-NH2 3.46Å; N375-R400 PolarHBondContact ND2-NH1 3.06Å; N375-R400 PolarHBondContact ND2-NH2 3.27Å
376R94.4Very high93.6Very high208 Ų20873.8 Ų73.879%0.78535%0.352SS*.  trans56.340.9-172.3-53.8-177.5-178.4-176.10112.5D373D373-R376 PolarHBondContact O-N 2.88Å; D373-R376 WeakPolarHBondContact OD1-CA 3.25Å; D373-R376 PolarHBondContact OD1-N 3.11Å; D373-R376 VanDerWaalsContact OD1-N 3.13Å; D373-R376 WeakPolarHBondContact OD2-CA 3.4Å
377D94.9Very high93.7Very high2 Ų271.4 Ų71.41%0.01134%0.338CS..  trans-73.6-18.8175.1-66.1-24.4000110.9D373 N375 A393 R394 V396 R400 Y402D373-D377 PolarHBondContact OD1-N 3.08Å; N375-D377 VanDerWaalsContact CB-OD2 3.3Å; N375-D377 WeakPolarHBondContact CB-OD2 3.48Å; N375-D377 PolarHBondContact O-N 2.04Å; D377-A393 WeakPolarHBondContact O-CB 3.24Å; D377-A393 PolarHBondContact O-N 3.2Å; D377-R394 IonicContact OD1-CZ 3.72Å; D377-R394 IonicContact OD1-NE 3.58Å; D377-R394 PolarHBondContact OD1-NE 2.89Å; D377-R394 IonicContact OD1-NH2 3.88Å; D377-R394 PolarHBondContact OD1-NH2 2.6Å; D377-V396 HydrophobicContact CB-CG1 4.03Å; D377-R400 IonicContact OD2-NH1 3.85Å; D377-Y402 HydrophobicContact CB-CE1 4.31Å; D377-Y402 VanDerWaalsContact OD2-CE1 3.22Å; D377-Y402 WeakPolarHBondContact OD2-CE1 3.42Å; D377-Y402 VanDerWaalsContact OD2-CZ 3.29Å; D377-Y402 PolarHBondContact OD2-OH 3.04Å
378F96.7Very high93.7Very high8 Ų870.6 Ų70.64%0.03534%0.335CS..EExtended strand (participates in β ladder)trans-130.8159.5-175.8-51.7-84.7000112.2I351 I369 D373 L390 V391 L392 Y402 L404 I427I351-F378 HydrophobicContact CD1-CD1 3.72Å; I351-F378 HydrophobicContact CD1-CE1 3.54Å; I369-F378 HydrophobicContact CD1-CB 3.89Å; D373-F378 HydrophobicContact CB-CD2 4.46Å; D373-F378 PolarHBondContact OD2-N 3.03Å; D373-F378 VanDerWaalsContact OD2-N 3.17Å; F378-L390 HydrophobicContact CB-CD1 3.96Å; F378-L390 HydrophobicContact CD1-CG 4.48Å; F378-V391 CarbonylContact C-O 3.58Å; F378-V391 WeakPolarHBondContact CA-O 3.04Å; F378-L392 HydrophobicContact CD1-CD1 3.94Å; F378-L392 HydrophobicContact CE1-CD1 3.49Å; F378-L392 VanDerWaalsContact CE1-CD1 3.49Å; F378-L392 HydrophobicContact CZ-CD1 4.12Å; F378-Y402 AromaticContact CE2-CD1 3.62Å; F378-Y402 HydrophobicContact CE2-CD1 3.62Å; F378-Y402 HydrophobicContact CE2-CD2 4.19Å; F378-Y402 AromaticContact CE2-CE1 3.76Å; F378-Y402 HydrophobicContact CE2-CE1 3.76Å; F378-Y402 HydrophobicContact CE2-CE2 4.35Å; F378-Y402 AromaticContact CE2-CG 3.82Å; F378-Y402 HydrophobicContact CE2-CG 3.82Å; F378-Y402 HydrophobicContact CZ-CD1 4.31Å; F378-Y402 HydrophobicContact CZ-CD2 4.06Å; F378-Y402 HydrophobicContact CZ-CE1 4.43Å; F378-Y402 HydrophobicContact CZ-CE2 4.22Å; F378-Y402 HydrophobicContact CZ-CG 4.1Å; F378-L404 HydrophobicContact CB-CD1 4.43Å; F378-L404 HydrophobicContact CD1-CD1 4.42Å; F378-L404 HydrophobicContact CD2-CD1 3.79Å; F378-L404 HydrophobicContact CD2-CD2 4.23Å; F378-L404 HydrophobicContact CE2-CD1 4.14Å; F378-L404 HydrophobicContact CE2-CD2 4.45Å; F378-L404 HydrophobicContact CG-CD1 3.95Å; F378-I427 HydrophobicContact CE1-CD1 4Å; F378-I427 HydrophobicContact CZ-CD1 4.09Å
379Y96.8Very high93.8Very high93 Ų9366.1 Ų66.137%0.36532%0.319SS..EExtended strand (participates in β ladder)trans-147.1158.8163.867.9-84.1000110.4R381 V391 A393Y379-R381 HydrophobicContact CE2-CB 4.18Å; Y379-V391 HydrophobicContact CD1-CB 4.09Å; Y379-V391 HydrophobicContact CD1-CG1 4.43Å; Y379-V391 HydrophobicContact CD2-CB 4.31Å; Y379-V391 HydrophobicContact CE1-CB 3.67Å; Y379-V391 HydrophobicContact CE1-CG1 3.58Å; Y379-V391 HydrophobicContact CE2-CB 3.91Å; Y379-V391 HydrophobicContact CE2-CG1 4.31Å; Y379-V391 HydrophobicContact CE2-CG2 4.03Å; Y379-V391 HydrophobicContact CG-CB 4.41Å; Y379-V391 PolarHBondContact N-O 2.03Å; Y379-V391 PolarHBondContact O-N 3.47Å; Y379-V391 WeakPolarHBondContact OH-CG1 3.24Å; Y379-A393 HydrophobicContact CD1-CB 3.86Å; Y379-A393 HydrophobicContact CE1-CB 4.24Å
380I96.8Very high93.8Very high33 Ų3364 Ų6417%0.16931%0.309CS..EExtended strand (participates in β ladder)trans-99.8125.5175-66.5-179.9000109I354 F367 I369 A388 M389 L390 L406I354-I380 HydrophobicContact CD1-CD1 4.31Å; F367-I380 HydrophobicContact CB-CD1 4.34Å; F367-I380 HydrophobicContact CB-CG2 3.84Å; I369-I380 HydrophobicContact CD1-CG1 4.37Å; I369-I380 HydrophobicContact CG1-CD1 3.8Å; I369-I380 HydrophobicContact CG1-CG1 3.77Å; I380-A388 HydrophobicContact CG2-CB 3.65Å; I380-M389 WeakPolarHBondContact CA-O 3.05Å; I380-L390 HydrophobicContact CG1-CD1 4.08Å; I380-L406 HydrophobicContact CD1-CD2 4.21Å
381R96.2Very high93.9Very high113 Ų11358.7 Ų58.743%0.42629%0.289SS..EExtended strand (participates in β ladder)trans-102.5112.5169.5-174174.964.8-164.1-5.6108.8D350 Y379 T383 A388 M389 V391D350-R381 IonicContact OD1-CZ 2.98Å; D350-R381 IonicContact OD1-NH2 2.87Å; D350-R381 PolarHBondContact OD1-NH2 2.85Å; D350-R381 IonicContact OD2-NH2 3.98Å; D350-R381 PolarHBondContact OD2-NH2 3.17Å; Y379-R381 HydrophobicContact CE2-CB 4.18Å; R381-T383 PolarHBondContact O-N 3.44Å; R381-A388 WeakPolarHBondContact O-CA 3.48Å; R381-M389 PolarHBondContact N-O 3.13Å; R381-M389 PolarHBondContact O-N 3.25Å; R381-V391 HydrophobicContact CB-CG2 4.03Å
382Q93.3Very high94Very high89 Ų8956 Ų5642%0.41627%0.27SS..EExtended strand (participates in β ladder)trans-69.8126.6176.2-174.9155.45.500110.3N365 N384N365-Q382 PolarHBondContact O-NE2 3.45Å; Q382-N384 WeakPolarHBondContact CG-O 3.46Å; Q382-N384 PolarHBondContact NE2-O 3.01Å
383T92.4Very high94.1Very high83 Ų8356.9 Ų56.951%0.50928%0.275SS..  trans-96.4-44.4-177.8-53.70000110.6R381 S387R381-T383 PolarHBondContact O-N 3.44Å; T383-S387 PolarHBondContact N-O 3.16Å
384N89.3Confident94Very high74 Ų7461.7 Ų61.740%0.39629%0.291SS..SBendtrans-156.3-166.4173.360.451.6000110.1Q382 Y386 S387Q382-N384 WeakPolarHBondContact CG-O 3.46Å; Q382-N384 PolarHBondContact NE2-O 3.01Å; N384-Y386 PolarHBondContact O-N 3.38Å; N384-Y386 WeakPolarHBondContact OD1-CA 3.34Å; N384-Y386 PolarHBondContact OD1-N 3.05Å; N384-S387 PolarHBondContact N-O 3.04Å; N384-S387 VanDerWaalsContact N-O 3.1Å; N384-S387 PolarHBondContact ND2-OG 2.99Å; N384-S387 PolarHBondContact OD1-N 3.05Å; N384-S387 PolarHBondContact OD1-OG 3.43Å
385N87.6Confident94Very high84 Ų8457 Ų5745%0.44927%0.274SS..SBendtrans-70.3-9.1-179.1-68.4-5.9000114.3N365N365-N385 VanDerWaalsContact CB-O 3.25Å; N365-N385 WeakPolarHBondContact CB-O 3.02Å; N365-N385 PolarHBondContact N-O 3.01Å; N365-N385 PolarHBondContact ND2-O 3.45Å
386Y87.9Confident94.1Very high73 Ų7353.9 Ų53.929%0.28626%0.257SS..SBendtrans-129.7-7.5-171.6-51.7-68.2000113Q355 T356 F359 N384Q355-Y386 WeakPolarHBondContact CA-O 3.33Å; T356-Y386 PolarHBondContact N-O 3.32Å; T356-Y386 WeakPolarHBondContact OG1-CB 3.06Å; T356-Y386 PolarHBondContact OG1-O 3.06Å; F359-Y386 HydrophobicContact CB-CD1 4.05Å; F359-Y386 HydrophobicContact CB-CE1 3.73Å; N384-Y386 PolarHBondContact O-N 3.38Å; N384-Y386 WeakPolarHBondContact OD1-CA 3.34Å; N384-Y386 PolarHBondContact OD1-N 3.05Å
387S91.9Very high94Very high12 Ų1247.4 Ų47.48%0.08424%0.244CC..EExtended strand (participates in β ladder)trans-144.8151178.169.40000113.8I354 T383 N384I354-S387 CarbonylContact O-C 3.56Å; I354-S387 WeakPolarHBondContact O-CA 3.28Å; I354-S387 VanDerWaalsContact O-CB 3.25Å; I354-S387 WeakPolarHBondContact O-CB 3.26Å; T383-S387 PolarHBondContact N-O 3.16Å; N384-S387 PolarHBondContact N-O 3.04Å; N384-S387 VanDerWaalsContact N-O 3.1Å; N384-S387 PolarHBondContact ND2-OG 2.99Å; N384-S387 PolarHBondContact OD1-N 3.05Å; N384-S387 PolarHBondContact OD1-OG 3.43Å
388A95.3Very high93.7Very high0 Ų048.3 Ų48.30%025%0.253CS..EExtended strand (participates in β ladder)trans-144.6155.417400000110I354 F367 I380 R381I354-A388 WeakPolarHBondContact CB-O 3.43Å; I354-A388 PolarHBondContact N-O 3.36Å; I354-A388 PolarHBondContact O-N 2.04Å; F367-A388 HydrophobicContact CB-CB 3.82Å; F367-A388 HydrophobicContact CD1-CB 4.34Å; F367-A388 HydrophobicContact CD2-CB 3.54Å; F367-A388 HydrophobicContact CE2-CB 4.14Å; F367-A388 HydrophobicContact CG-CB 3.64Å; I380-A388 HydrophobicContact CG2-CB 3.65Å; R381-A388 WeakPolarHBondContact O-CA 3.48Å
389M96.8Very high93.5Very high31 Ų3152.6 Ų52.615%0.15328%0.282CS..EExtended strand (participates in β ladder)trans-106.8128.7176.3-169.762.972.900109.6D350 L353 I380 R381 V391D350-M389 HydrophobicContact CB-CE 4.07Å; D350-M389 HydrophobicContact CB-CG 3.61Å; D350-M389 HydrophobicContact CB-SD 3.75Å; D350-M389 VanDerWaalsContact CG-CG 3.47Å; L353-M389 HydrophobicContact CB-CE 4.16Å; L353-M389 HydrophobicContact CB-SD 4.29Å; L353-M389 HydrophobicContact CD1-CE 4.01Å; I380-M389 WeakPolarHBondContact CA-O 3.05Å; R381-M389 PolarHBondContact N-O 3.13Å; R381-M389 PolarHBondContact O-N 3.25Å; M389-V391 HydrophobicContact CB-CG2 4.21Å; M389-V391 HydrophobicContact CG-CG2 3.94Å
390L97.2Very high93.3Very high0 Ų053.6 Ų53.60%029%0.285CS..EExtended strand (participates in β ladder)trans-77.8122.4161.6-174.469.8000108I351 F352 I369 F378 I380 L404 L406 L425 I427I351-L390 HydrophobicContact CD1-CD2 3.94Å; I351-L390 HydrophobicContact CD1-CG 4.21Å; I351-L390 HydrophobicContact CG1-CB 4.38Å; I351-L390 HydrophobicContact CG1-CD2 4.17Å; I351-L390 HydrophobicContact CG1-CG 4.15Å; I351-L390 VanDerWaalsContact CG1-O 3.31Å; I351-L390 WeakPolarHBondContact CG1-O 3.43Å; I351-L390 PolarHBondContact N-O 2.99Å; F352-L390 HydrophobicContact CB-CB 3.99Å; F352-L390 HydrophobicContact CB-CD2 4.24Å; F352-L390 PolarHBondContact N-O 3.1Å; F352-L390 PolarHBondContact O-N 2.98Å; I369-L390 HydrophobicContact CD1-CD1 4.19Å; F378-L390 HydrophobicContact CB-CD1 3.96Å; F378-L390 HydrophobicContact CD1-CG 4.48Å; I380-L390 HydrophobicContact CG1-CD1 4.08Å; L390-L404 HydrophobicContact CD1-CD1 4.31Å; L390-L404 HydrophobicContact CD2-CD1 3.93Å; L390-L406 HydrophobicContact CD1-CD2 4.1Å; L390-L406 HydrophobicContact CD2-CD1 4.29Å; L390-L425 HydrophobicContact CD2-CD2 3.69Å; L390-I427 HydrophobicContact CD2-CD1 3.94Å
391V97.1Very high93Very high1 Ų156.1 Ų56.11%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-116.3131.2-176.5-170.70000108.8P348 S349 D350 F378 Y379 R381 M389 A393P348-V391 HydrophobicContact CB-CG1 4.16Å; S349-V391 WeakPolarHBondContact O-CA 3.41Å; S349-V391 WeakPolarHBondContact O-CG1 3.35Å; D350-V391 WeakPolarHBondContact OD1-CG2 3.36Å; F378-V391 CarbonylContact C-O 3.58Å; F378-V391 WeakPolarHBondContact CA-O 3.04Å; Y379-V391 HydrophobicContact CD1-CB 4.09Å; Y379-V391 HydrophobicContact CD1-CG1 4.43Å; Y379-V391 HydrophobicContact CD2-CB 4.31Å; Y379-V391 HydrophobicContact CE1-CB 3.67Å; Y379-V391 HydrophobicContact CE1-CG1 3.58Å; Y379-V391 HydrophobicContact CE2-CB 3.91Å; Y379-V391 HydrophobicContact CE2-CG1 4.31Å; Y379-V391 HydrophobicContact CE2-CG2 4.03Å; Y379-V391 HydrophobicContact CG-CB 4.41Å; Y379-V391 PolarHBondContact N-O 2.03Å; Y379-V391 PolarHBondContact O-N 3.47Å; Y379-V391 WeakPolarHBondContact OH-CG1 3.24Å; R381-V391 HydrophobicContact CB-CG2 4.03Å; M389-V391 HydrophobicContact CB-CG2 4.21Å; M389-V391 HydrophobicContact CG-CG2 3.94Å; V391-A393 PolarHBondContact O-N 3.36Å
392L96.3Very high93Very high0 Ų051.3 Ų51.30%028%0.278CS..EExtended strand (participates in β ladder)trans-71.2118.3169.2-175.168.8000108.4R345 A347 P348 S349 I351 F378 R394 V396R345-L392 HydrophobicContact CB-CD2 4.25Å; A347-L392 HydrophobicContact CB-CD2 4.33Å; A347-L392 HydrophobicContact CB-CG 4.32Å; P348-L392 WeakPolarHBondContact CA-O 3.46Å; S349-L392 PolarHBondContact N-O 3.2Å; S349-L392 PolarHBondContact O-N 3.06Å; I351-L392 HydrophobicContact CD1-CB 4.42Å; I351-L392 HydrophobicContact CG2-CB 4.07Å; F378-L392 HydrophobicContact CD1-CD1 3.94Å; F378-L392 HydrophobicContact CE1-CD1 3.49Å; F378-L392 VanDerWaalsContact CE1-CD1 3.49Å; F378-L392 HydrophobicContact CZ-CD1 4.12Å; L392-R394 VanDerWaalsContact CD1-O 3.29Å; L392-R394 WeakPolarHBondContact CD1-O 3Å; L392-R394 WeakPolarHBondContact CG-O 3.32Å; L392-V396 HydrophobicContact CD1-CG1 4Å; L392-V396 HydrophobicContact CD1-CG2 3.97Å; L392-V396 HydrophobicContact CD2-CG2 4.45Å
393A95.4Very high93Very high43 Ų4350.2 Ų50.236%0.35528%0.277SS..  trans-78.4-35.3-176.800000112.5D377 Y379 V391D377-A393 WeakPolarHBondContact O-CB 3.24Å; D377-A393 PolarHBondContact O-N 3.2Å; Y379-A393 HydrophobicContact CD1-CB 3.86Å; Y379-A393 HydrophobicContact CE1-CB 4.24Å; V391-A393 PolarHBondContact O-N 3.36Å
394R93.3Very high93.2Very high125 Ų12546.2 Ų46.247%0.47225%0.253SS..SBendtrans-145.3156179.761.5176.7176.7-178.4-5.2110.7A347 N375 D377 L392 V396A347-R394 VanDerWaalsContact CB-CA 3.42Å; N375-R394 PolarHBondContact O-NH2 3.46Å; D377-R394 IonicContact OD1-CZ 3.72Å; D377-R394 IonicContact OD1-NE 3.58Å; D377-R394 PolarHBondContact OD1-NE 2.89Å; D377-R394 IonicContact OD1-NH2 3.88Å; D377-R394 PolarHBondContact OD1-NH2 2.6Å; L392-R394 VanDerWaalsContact CD1-O 3.29Å; L392-R394 WeakPolarHBondContact CD1-O 3Å; L392-R394 WeakPolarHBondContact CG-O 3.32Å; R394-V396 PolarHBondContact O-N 2.99Å
395A93.1Very high93.5Very high55 Ų5543.3 Ų43.346%0.45524%0.238SC..  trans-57.9134.5174.700000110.2
396V93.1Very high93.9Very high5 Ų539.6 Ų39.63%0.0322%0.218CC..  trans-114.4130.4177.7-70.90000109I341 E344 D377 L392 R394 Y402 V429I341-V396 HydrophobicContact CD1-CG2 3.89Å; E344-V396 PolarHBondContact N-O 3.44Å; D377-V396 HydrophobicContact CB-CG1 4.03Å; L392-V396 HydrophobicContact CD1-CG1 4Å; L392-V396 HydrophobicContact CD1-CG2 3.97Å; L392-V396 HydrophobicContact CD2-CG2 4.45Å; R394-V396 PolarHBondContact O-N 2.99Å; V396-Y402 HydrophobicContact CG1-CE2 4.44Å; V396-Y402 WeakPolarHBondContact CG1-OH 3.39Å; V396-V429 HydrophobicContact CG2-CG1 4.05Å; V396-V429 HydrophobicContact CG2-CG2 3.83Å
397S92.7Very high94.3Very high72 Ų7236.8 Ų36.850%0.50321%0.207SC..  trans-91.9130.6176.7-51.50000109.7S343S343-S397 WeakPolarHBondContact OG-CA 3.38Å
398G89.3Confident94.3Very high20 Ų2038 Ų3821%0.20621%0.212CC..SBendtrans-90.4180171.600000112.9S343 G430S343-G398 PolarHBondContact OG-N 2.83Å; G398-G430 WeakPolarHBondContact CA-O 3.07Å
399P91.9Very high94Very high98 Ų9840.9 Ų40.964%0.63623%0.227SC*.SBendcis-73.9127.1-3.729.7-32.8000111.1V429 P431P399-V429 WeakPolarHBondContact CA-O 3.05Å; P399-P431 HydrophobicContact CB-CB 4.29Å; P399-P431 HydrophobicContact CG-CB 4.45Å
400R91.4Very high93.6Very high114 Ų11440.6 Ų40.643%0.4323%0.228SC..EExtended strand (participates in β ladder)trans-151.1151.7179.8-170.3170.6-180-178.6-0.1111N375 D377 Y402 V429N375-R400 PolarHBondContact ND2-NH1 3.06Å; N375-R400 PolarHBondContact ND2-NH2 3.27Å; D377-R400 IonicContact OD2-NH1 3.85Å; R400-Y402 HydrophobicContact CG-CE2 4.04Å; R400-Y402 PolarHBondContact NH1-OH 2.66Å; R400-V429 HydrophobicContact CB-CB 4.38Å; R400-V429 PolarHBondContact N-O 2.93Å; R400-V429 PolarHBondContact O-N 3.34Å
401E92.4Very high92.9Very high87 Ų8741 Ų4141%0.40723%0.233SC..EExtended strand (participates in β ladder)trans-120.3139.3174.5-174.3177.3171.500110.3I427 F428E401-I427 WeakPolarHBondContact CA-O 3.38Å; E401-F428 HydrophobicContact CB-CD1 4.24Å; E401-F428 HydrophobicContact CB-CE1 4.44Å; E401-F428 HydrophobicContact CG-CD1 3.83Å; E401-F428 HydrophobicContact CG-CE1 3.68Å; E401-F428 HydrophobicContact CG-CZ 4.45Å; E401-F428 WeakPolarHBondContact OE1-CE1 2.97Å; E401-F428 WeakPolarHBondContact OE2-CE1 3.44Å
402Y94.4Very high92.1Very high11 Ų1142.5 Ų42.54%0.04324%0.239CC..EExtended strand (participates in β ladder)trans-119.2137.9170.7-64.9-93.6000109.2D377 F378 V396 R400 S426 I427 V429D377-Y402 HydrophobicContact CB-CE1 4.31Å; D377-Y402 VanDerWaalsContact OD2-CE1 3.22Å; D377-Y402 WeakPolarHBondContact OD2-CE1 3.42Å; D377-Y402 VanDerWaalsContact OD2-CZ 3.29Å; D377-Y402 PolarHBondContact OD2-OH 3.04Å; F378-Y402 AromaticContact CE2-CD1 3.62Å; F378-Y402 HydrophobicContact CE2-CD1 3.62Å; F378-Y402 HydrophobicContact CE2-CD2 4.19Å; F378-Y402 AromaticContact CE2-CE1 3.76Å; F378-Y402 HydrophobicContact CE2-CE1 3.76Å; F378-Y402 HydrophobicContact CE2-CE2 4.35Å; F378-Y402 AromaticContact CE2-CG 3.82Å; F378-Y402 HydrophobicContact CE2-CG 3.82Å; F378-Y402 HydrophobicContact CZ-CD1 4.31Å; F378-Y402 HydrophobicContact CZ-CD2 4.06Å; F378-Y402 HydrophobicContact CZ-CE1 4.43Å; F378-Y402 HydrophobicContact CZ-CE2 4.22Å; F378-Y402 HydrophobicContact CZ-CG 4.1Å; V396-Y402 HydrophobicContact CG1-CE2 4.44Å; V396-Y402 WeakPolarHBondContact CG1-OH 3.39Å; R400-Y402 HydrophobicContact CG-CE2 4.04Å; R400-Y402 PolarHBondContact NH1-OH 2.66Å; Y402-S426 CarbonylContact O-C 3.17Å; Y402-S426 VanDerWaalsContact O-CA 3.24Å; Y402-S426 WeakPolarHBondContact O-CA 3.39Å; Y402-I427 PolarHBondContact N-O 2.93Å; Y402-I427 PolarHBondContact O-N 3.32Å; Y402-V429 HydrophobicContact CD2-CG2 4.02Å; Y402-V429 HydrophobicContact CE2-CG2 3.77Å
403T95Very high90.9Very high66 Ų6646.8 Ų46.841%0.40527%0.267SS..EExtended strand (participates in β ladder)trans-117.398.1169.1-51.20000108.3G372 R424G372-T403 VanDerWaalsContact CA-O 3.3Å; G372-T403 WeakPolarHBondContact CA-O 3.31Å; T403-R424 HydrophobicContact CG2-CG 3.79Å
404L96.8Very high89.8Confident0 Ų052.3 Ų52.30%029%0.29CS..EExtended strand (participates in β ladder)trans-95.1127-178.1-55.3-174.8000110.6G372 D373 F378 L390 L406 R424 L425 I427G372-L404 WeakPolarHBondContact O-CD2 3.4Å; D373-L404 HydrophobicContact CB-CD2 4.01Å; F378-L404 HydrophobicContact CB-CD1 4.43Å; F378-L404 HydrophobicContact CD1-CD1 4.42Å; F378-L404 HydrophobicContact CD2-CD1 3.79Å; F378-L404 HydrophobicContact CD2-CD2 4.23Å; F378-L404 HydrophobicContact CE2-CD1 4.14Å; F378-L404 HydrophobicContact CE2-CD2 4.45Å; F378-L404 HydrophobicContact CG-CD1 3.95Å; L390-L404 HydrophobicContact CD1-CD1 4.31Å; L390-L404 HydrophobicContact CD2-CD1 3.93Å; L404-L406 HydrophobicContact CB-CD2 3.88Å; L404-L406 HydrophobicContact CB-CG 4.29Å; L404-L406 HydrophobicContact CD1-CD2 4.36Å; L404-R424 CarbonylContact O-C 3.5Å; L404-R424 WeakPolarHBondContact O-CA 3.48Å; L404-L425 PolarHBondContact N-O 3.26Å; L404-L425 PolarHBondContact O-N 3.46Å; L404-I427 HydrophobicContact CD1-CD1 3.73Å; L404-I427 HydrophobicContact CG-CD1 4.36Å
405D95.6Very high88.7Confident13 Ų1351.1 Ų51.17%0.0730%0.296CS..EExtended strand (participates in β ladder)trans-93.3101.6167.4-79.7-6.9000108.7R370 S371 V422 R424R370-D405 WeakPolarHBondContact CA-O 3.5Å; R370-D405 HydrophobicContact CB-CB 4.28Å; R370-D405 VanDerWaalsContact CB-O 3.31Å; R370-D405 WeakPolarHBondContact CB-O 3.44Å; R370-D405 PolarHBondContact N-O 3.12Å; S371-D405 PolarHBondContact O-N 3.41Å; D405-V422 HydrophobicContact CB-CG1 3.82Å; D405-R424 WeakPolarHBondContact OD1-CB 3.29Å; D405-R424 WeakPolarHBondContact OD1-CG 3.42Å; D405-R424 IonicContact OD1-CZ 3.51Å; D405-R424 IonicContact OD1-NE 2.75Å; D405-R424 PolarHBondContact OD1-NE 2.04Å; D405-R424 IonicContact OD1-NH2 3.39Å; D405-R424 PolarHBondContact OD1-NH2 3.25Å; D405-R424 IonicContact OD2-CZ 3.7Å; D405-R424 IonicContact OD2-NE 3.71Å; D405-R424 IonicContact OD2-NH2 2.81Å; D405-R424 PolarHBondContact OD2-NH2 3.49Å
406L95.9Very high87.5Confident6 Ų651.5 Ų51.53%0.03131%0.306CS..EExtended strand (participates in β ladder)trans-92110178.9-49.1178.3000108.4I354 I369 I380 L390 L404 V422 L423 L425I354-L406 HydrophobicContact CD1-CB 4.42Å; I354-L406 HydrophobicContact CD1-CD1 3.88Å; I354-L406 HydrophobicContact CG1-CD1 4.46Å; I369-L406 HydrophobicContact CG1-CD2 3.99Å; I369-L406 HydrophobicContact CG2-CD2 4.42Å; I380-L406 HydrophobicContact CD1-CD2 4.21Å; L390-L406 HydrophobicContact CD1-CD2 4.1Å; L390-L406 HydrophobicContact CD2-CD1 4.29Å; L404-L406 HydrophobicContact CB-CD2 3.88Å; L404-L406 HydrophobicContact CB-CG 4.29Å; L404-L406 HydrophobicContact CD1-CD2 4.36Å; L406-V422 CarbonylContact O-C 3.56Å; L406-V422 WeakPolarHBondContact O-CA 3.37Å; L406-L423 HydrophobicContact CB-CB 4.27Å; L406-L423 HydrophobicContact CD1-CD2 4.13Å; L406-L423 PolarHBondContact N-O 3.21Å; L406-L423 PolarHBondContact O-N 3.02Å; L406-L425 HydrophobicContact CD1-CB 4.2Å; L406-L425 HydrophobicContact CD1-CD2 3.99Å
407E94.5Very high86.3Confident14 Ų1456.8 Ų56.87%0.06533%0.33CS..EExtended strand (participates in β ladder)trans-95.6129.7-176.3-174.3178-151.800111.1F367 R368 R370 L409 S420 V422F367-E407 WeakPolarHBondContact CA-O 3.33Å; R368-E407 HydrophobicContact CG-CB 4.14Å; R368-E407 IonicContact CZ-OE2 3.99Å; R368-E407 PolarHBondContact N-O 2.8Å; R368-E407 IonicContact NE-OE2 2.91Å; R368-E407 PolarHBondContact NE-OE2 2.74Å; R368-E407 IonicContact NH2-OE1 2.67Å; R368-E407 IonicContact NH2-OE2 2.68Å; R368-E407 PolarHBondContact NH2-OE2 2.99Å; R368-E407 PolarHBondContact O-N 3.43Å; R370-E407 HydrophobicContact CB-CB 3.94Å; E407-L409 HydrophobicContact CG-CD2 4.1Å; E407-L409 HydrophobicContact CG-CG 4.38Å; E407-S420 VanDerWaalsContact CG-OG 3.28Å; E407-S420 WeakPolarHBondContact CG-OG 3.07Å; E407-S420 PolarHBondContact OE1-OG 3.45Å; E407-V422 HydrophobicContact CB-CG2 4.18Å; E407-V422 HydrophobicContact CG-CG2 4.18Å
408M92.2Very high85.6Confident38 Ų3864.3 Ų64.319%0.18735%0.348CS..EExtended strand (participates in β ladder)trans-103.7120.2168.3-179-175.86900109T356 N365 T366 F367 S410 S420 S421T356-M408 HydrophobicContact CG2-CE 4.4Å; T356-M408 HydrophobicContact CG2-SD 3.23Å; T356-M408 WeakPolarHBondContact CG2-SD 3Å; N365-M408 HydrophobicContact CB-CG 4.05Å; N365-M408 HydrophobicContact CB-SD 4.27Å; T366-M408 WeakPolarHBondContact O-CA 3.46Å; F367-M408 HydrophobicContact CD1-CB 4.02Å; F367-M408 HydrophobicContact CD1-CG 4.03Å; F367-M408 HydrophobicContact CE1-CB 4.01Å; F367-M408 HydrophobicContact CE1-CG 3.65Å; F367-M408 HydrophobicContact CE1-SD 3.8Å; F367-M408 HydrophobicContact CZ-CG 4.24Å; F367-M408 HydrophobicContact CZ-SD 4.2Å; M408-S410 WeakPolarHBondContact CE-OG 3.44Å; M408-S420 WeakPolarHBondContact O-CA 3.46Å; M408-S421 PolarHBondContact N-O 2.85Å; M408-S421 PolarHBondContact O-N 3.29Å
409L90.4Very high85.4Confident60 Ų6065.3 Ų65.331%0.31435%0.351SS..EExtended strand (participates in β ladder)trans-98.7111.6170.9-61.6175.1000108.3N365 T366 E407N365-L409 WeakPolarHBondContact CA-O 3.47Å; T366-L409 PolarHBondContact N-O 3.14Å; T366-L409 PolarHBondContact O-N 2.74Å; E407-L409 HydrophobicContact CG-CD2 4.1Å; E407-L409 HydrophobicContact CG-CG 4.38Å
410S86.9Confident85.3Confident25 Ų2561.7 Ų61.718%0.17533%0.328CS..EExtended strand (participates in β ladder)trans-97130176.4-62.70000109.9N365 M408 R418 S419N365-S410 WeakPolarHBondContact OD1-CA 3.23Å; N365-S410 VanDerWaalsContact OD1-CB 3.3Å; N365-S410 WeakPolarHBondContact OD1-CB 3.45Å; N365-S410 PolarHBondContact OD1-OG 3.04Å; M408-S410 WeakPolarHBondContact CE-OG 3.44Å; S410-R418 WeakPolarHBondContact O-CA 3.33Å; S410-S419 PolarHBondContact N-O 3.2Å; S410-S419 PolarHBondContact O-N 3.17Å; S410-S419 VanDerWaalsContact O-N 3.09Å
411G82.9Confident85.3Confident9 Ų957.3 Ų57.39%0.09332%0.315CS..EExtended strand (participates in β ladder)trans-132.6140.8176.200000112.1S363 F364S363-G411 WeakPolarHBondContact CA-O 3.47Å; F364-G411 WeakPolarHBondContact CD1-O 3.5Å; F364-G411 PolarHBondContact N-O 3.43Å; F364-G411 PolarHBondContact O-N 2.81Å
412H80.1Confident85.3Confident31 Ų3153.4 Ų53.414%0.14430%0.297CS..  trans-117.2118.8169.7-164.1-75.1000110.9T361 L414 V415 G416 Q417T361-H412 PolarHBondContact O-NE2 2.83Å; H412-L414 VanDerWaalsContact C-N 3.27Å; H412-L414 PolarHBondContact ND1-N 2.84Å; H412-L414 PolarHBondContact O-N 2.92Å; H412-V415 HydrophobicContact CB-CB 4.41Å; H412-V415 PolarHBondContact O-N 3.31Å; H412-G416 PolarHBondContact O-N 3.46Å; H412-Q417 PolarHBondContact N-O 3.5Å
413P71.8Confident85.3Confident91 Ų9154.1 Ų54.159%0.59130%0.301SS*.THydrogen-bonded Turntrans-57.2-36.2-174.1-22.829.9000114.2G362 F364G362-P413 VanDerWaalsContact O-CD 3.25Å; G362-P413 WeakPolarHBondContact O-CD 2.99Å; F364-P413 HydrophobicContact CD1-CG 4.14Å; F364-P413 HydrophobicContact CE1-CG 3.97Å
414L71.6Confident85.2Confident159 Ų15954 Ų5483%0.83229%0.294SS*.THydrogen-bonded Turntrans-86.7-21.9-173.6-58.2176.6000114.8H412H412-L414 VanDerWaalsContact C-N 3.27Å; H412-L414 PolarHBondContact ND1-N 2.84Å; H412-L414 PolarHBondContact O-N 2.92Å
415V70.1Confident85.1Confident99 Ų9954 Ų5460%0.629%0.294SS*.THydrogen-bonded Turntrans-107.8-11.6-171.6-1680000111H412 Q417H412-V415 HydrophobicContact CB-CB 4.41Å; H412-V415 PolarHBondContact O-N 3.31Å; V415-Q417 HydrophobicContact CB-CB 4.44Å; V415-Q417 HydrophobicContact CG1-CB 4.26Å; V415-Q417 PolarHBondContact O-N 3.42Å
416G68.4Low85Confident64 Ų6453.8 Ų53.866%0.6629%0.294SS*.  trans64.25.2-177.200000113.9H412 R418H412-G416 PolarHBondContact O-N 3.46Å; G416-R418 PolarHBondContact O-N 3Å
417Q68.8Low84.9Confident116 Ų11653.5 Ų53.554%0.54229%0.292SS..  trans-73.9126.2-179.6-162.6177.410.600109.3H412 V415H412-Q417 PolarHBondContact N-O 3.5Å; V415-Q417 HydrophobicContact CB-CB 4.44Å; V415-Q417 HydrophobicContact CG1-CB 4.26Å; V415-Q417 PolarHBondContact O-N 3.42Å
418R77.7Confident84.8Confident230 Ų23053 Ų5387%0.86829%0.29SS*.EExtended strand (participates in β ladder)trans-120.4126.1170.7-65.4-176.3-179-174.3-0.2108.1S410 G416S410-R418 WeakPolarHBondContact O-CA 3.33Å; G416-R418 PolarHBondContact O-N 3Å
419S84.2Confident84.9Confident41 Ų4151.3 Ų51.329%0.28728%0.281SS..EExtended strand (participates in β ladder)trans-126.4146.7170.955.60000109.4S410S410-S419 PolarHBondContact N-O 3.2Å; S410-S419 PolarHBondContact O-N 3.17Å; S410-S419 VanDerWaalsContact O-N 3.09Å
420S89.7Confident84.9Confident22 Ų2248.6 Ų48.615%0.15427%0.267CS..EExtended strand (participates in β ladder)trans-114.4134172.41720000108.6P331 Y332 E407 M408P331-S420 CarbonylContact C-O 3.49Å; P331-S420 WeakPolarHBondContact CA-O 3.46Å; Y332-S420 WeakPolarHBondContact CB-O 3.32Å; Y332-S420 PolarHBondContact N-O 2.87Å; E407-S420 VanDerWaalsContact CG-OG 3.28Å; E407-S420 WeakPolarHBondContact CG-OG 3.07Å; E407-S420 PolarHBondContact OE1-OG 3.45Å; M408-S420 WeakPolarHBondContact O-CA 3.46Å
421S91.1Very high85.1Confident21 Ų2149.7 Ų49.715%0.14727%0.274CS..EExtended strand (participates in β ladder)trans-128.1140.3171.9-57.90000108.6S333 M408S333-S421 WeakPolarHBondContact O-CA 3.31Å; S333-S421 WeakPolarHBondContact OG-CB 3.33Å; S333-S421 PolarHBondContact OG-OG 3.26Å; M408-S421 PolarHBondContact N-O 2.85Å; M408-S421 PolarHBondContact O-N 3.29Å
422V93.5Very high85.5Confident5 Ų552.3 Ų52.33%0.0328%0.282CS..EExtended strand (participates in β ladder)trans-114.2133.6-179.3171.30000110.1P331 S333 V334 V335 D405 L406 E407P331-V422 HydrophobicContact CB-CB 4.38Å; P331-V422 HydrophobicContact CB-CG2 3.8Å; P331-V422 HydrophobicContact CG-CB 4.37Å; P331-V422 HydrophobicContact CG-CG2 3.46Å; P331-V422 VanDerWaalsContact CG-CG2 3.46Å; S333-V422 PolarHBondContact O-N 3.41Å; V334-V422 CarbonylContact C-O 3.56Å; V334-V422 VanDerWaalsContact CA-O 3.24Å; V334-V422 WeakPolarHBondContact CA-O 3.05Å; V334-V422 HydrophobicContact CG2-CB 4.34Å; V335-V422 PolarHBondContact N-O 2.86Å; D405-V422 HydrophobicContact CB-CG1 3.82Å; L406-V422 CarbonylContact O-C 3.56Å; L406-V422 WeakPolarHBondContact O-CA 3.37Å; E407-V422 HydrophobicContact CB-CG2 4.18Å; E407-V422 HydrophobicContact CG-CG2 4.18Å
423L93.1Very high85.9Confident26 Ų2654.9 Ų54.914%0.13630%0.299CS..EExtended strand (participates in β ladder)trans-100.6109.2163.9169.364.7000107.6V335 R337 F352 L406 L425V335-L423 HydrophobicContact CB-CD1 4.22Å; V335-L423 HydrophobicContact CG1-CD1 4.15Å; V335-L423 CarbonylContact O-C 3.58Å; V335-L423 WeakPolarHBondContact O-CA 3.48Å; R337-L423 HydrophobicContact CB-CD1 3.91Å; R337-L423 HydrophobicContact CG-CD1 3.52Å; F352-L423 HydrophobicContact CD1-CD2 4.38Å; F352-L423 HydrophobicContact CE1-CD2 3.5Å; F352-L423 HydrophobicContact CZ-CD2 4.04Å; L406-L423 HydrophobicContact CB-CB 4.27Å; L406-L423 HydrophobicContact CD1-CD2 4.13Å; L406-L423 PolarHBondContact N-O 3.21Å; L406-L423 PolarHBondContact O-N 3.02Å; L423-L425 PolarHBondContact O-N 3.34Å
424R93.9Very high86.5Confident63 Ų6353.1 Ų53.124%0.23828%0.283CS..EExtended strand (participates in β ladder)trans-8499.4171.3-177.4162-69.8167.7-0.3108.8V334 V335 H336 R337 T403 L404 D405V334-R424 HydrophobicContact CG1-CB 4.24Å; V335-R424 PolarHBondContact O-N 2.02Å; H336-R424 WeakPolarHBondContact CA-O 3.35Å; R337-R424 PolarHBondContact N-O 3.39Å; T403-R424 HydrophobicContact CG2-CG 3.79Å; L404-R424 CarbonylContact O-C 3.5Å; L404-R424 WeakPolarHBondContact O-CA 3.48Å; D405-R424 WeakPolarHBondContact OD1-CB 3.29Å; D405-R424 WeakPolarHBondContact OD1-CG 3.42Å; D405-R424 IonicContact OD1-CZ 3.51Å; D405-R424 IonicContact OD1-NE 2.75Å; D405-R424 PolarHBondContact OD1-NE 2.04Å; D405-R424 IonicContact OD1-NH2 3.39Å; D405-R424 PolarHBondContact OD1-NH2 3.25Å; D405-R424 IonicContact OD2-CZ 3.7Å; D405-R424 IonicContact OD2-NE 3.71Å; D405-R424 IonicContact OD2-NH2 2.81Å; D405-R424 PolarHBondContact OD2-NH2 3.49Å
425L94.6Very high87.3Confident0 Ų047.8 Ų47.80%026%0.255CS..EExtended strand (participates in β ladder)trans-99.3115.4-178.4-177.964.5000109.7R337 M339 F352 L390 L404 L406 L423 I427R337-L425 HydrophobicContact CB-CD1 3.86Å; R337-L425 WeakPolarHBondContact O-CA 3.37Å; M339-L425 HydrophobicContact CG-CD1 3.94Å; M339-L425 HydrophobicContact CG-CG 4.38Å; M339-L425 HydrophobicContact SD-CD1 4.1Å; M339-L425 HydrophobicContact SD-CD2 3.84Å; M339-L425 HydrophobicContact SD-CG 4.29Å; F352-L425 HydrophobicContact CB-CD2 4.21Å; F352-L425 HydrophobicContact CD1-CD2 4.18Å; F352-L425 HydrophobicContact CD2-CD1 4.09Å; F352-L425 HydrophobicContact CD2-CD2 4.11Å; F352-L425 HydrophobicContact CE2-CD1 3.85Å; F352-L425 HydrophobicContact CG-CD2 3.9Å; F352-L425 HydrophobicContact CZ-CD1 4.23Å; L390-L425 HydrophobicContact CD2-CD2 3.69Å; L404-L425 PolarHBondContact N-O 3.26Å; L404-L425 PolarHBondContact O-N 3.46Å; L406-L425 HydrophobicContact CD1-CB 4.2Å; L406-L425 HydrophobicContact CD1-CD2 3.99Å; L423-L425 PolarHBondContact O-N 3.34Å; L425-I427 HydrophobicContact CD2-CD1 3.92Å; L425-I427 HydrophobicContact CD2-CG1 3.95Å; L425-I427 HydrophobicContact CG-CD1 4.32Å; L425-I427 HydrophobicContact CG-CG1 3.81Å
426S93.1Very high88.2Confident10 Ų1045.1 Ų45.17%0.0724%0.237CC..EExtended strand (participates in β ladder)trans-94.3117.5171.5-510000108.9R337 Y338 M339 Y402R337-S426 PolarHBondContact O-N 2.96Å; Y338-S426 WeakPolarHBondContact CA-O 3.3Å; M339-S426 PolarHBondContact N-O 3.25Å; Y402-S426 CarbonylContact O-C 3.17Å; Y402-S426 VanDerWaalsContact O-CA 3.24Å; Y402-S426 WeakPolarHBondContact O-CA 3.39Å
427I94.1Very high89.3Confident0 Ų044.1 Ų44.10%021%0.213CC..EExtended strand (participates in β ladder)trans-109118.3-178-50.6177.9000107.9M339 I341 I351 F378 L390 E401 Y402 L404 L425M339-I427 HydrophobicContact CG-CB 4.22Å; M339-I427 HydrophobicContact CG-CG1 3.84Å; M339-I427 HydrophobicContact CG-CG2 4.11Å; M339-I427 WeakPolarHBondContact O-CA 3.2Å; M339-I427 HydrophobicContact SD-CD1 4.23Å; M339-I427 HydrophobicContact SD-CG1 3.98Å; M339-I427 HydrophobicContact SD-CG2 4.48Å; I341-I427 HydrophobicContact CD1-CG2 4Å; I341-I427 HydrophobicContact CG1-CG2 3.98Å; I341-I427 HydrophobicContact CG2-CG2 4.39Å; I351-I427 HydrophobicContact CD1-CD1 4.18Å; F378-I427 HydrophobicContact CE1-CD1 4Å; F378-I427 HydrophobicContact CZ-CD1 4.09Å; L390-I427 HydrophobicContact CD2-CD1 3.94Å; E401-I427 WeakPolarHBondContact CA-O 3.38Å; Y402-I427 PolarHBondContact N-O 2.93Å; Y402-I427 PolarHBondContact O-N 3.32Å; L404-I427 HydrophobicContact CD1-CD1 3.73Å; L404-I427 HydrophobicContact CG-CD1 4.36Å; L425-I427 HydrophobicContact CD2-CD1 3.92Å; L425-I427 HydrophobicContact CD2-CG1 3.95Å; L425-I427 HydrophobicContact CG-CD1 4.32Å; L425-I427 HydrophobicContact CG-CG1 3.81Å
428F93.3Very high90.5Very high4 Ų439.8 Ų39.82%0.01819%0.194CC..EExtended strand (participates in β ladder)trans-96.5120.7173.3-56.3-84.8000109.4I294 Y338 M339 T340 I341 E401I294-F428 HydrophobicContact CB-CB 4.31Å; I294-F428 HydrophobicContact CB-CD2 4.24Å; I294-F428 HydrophobicContact CB-CG 4.24Å; I294-F428 HydrophobicContact CD1-CD1 4.05Å; I294-F428 HydrophobicContact CD1-CE1 4.25Å; I294-F428 HydrophobicContact CD1-CG 4.23Å; I294-F428 HydrophobicContact CG2-CB 4.26Å; I294-F428 HydrophobicContact CG2-CD2 3.32Å; I294-F428 HydrophobicContact CG2-CE2 3.67Å; I294-F428 HydrophobicContact CG2-CG 3.79Å; I294-F428 HydrophobicContact CG2-CZ 4.42Å; Y338-F428 AromaticContact CD1-CE2 3.78Å; Y338-F428 HydrophobicContact CD1-CE2 3.78Å; Y338-F428 HydrophobicContact CD1-CZ 4.16Å; Y338-F428 HydrophobicContact CG-CE2 4.46Å; M339-F428 WeakPolarHBondContact O-CD2 3.03Å; M339-F428 PolarHBondContact O-N 3.39Å; T340-F428 CarbonylContact C-O 3.5Å; T340-F428 VanDerWaalsContact CA-O 3.28Å; T340-F428 WeakPolarHBondContact CA-O 3.4Å; T340-F428 PolarHBondContact OG1-O 3.24Å; I341-F428 PolarHBondContact N-O 3.09Å; E401-F428 HydrophobicContact CB-CD1 4.24Å; E401-F428 HydrophobicContact CB-CE1 4.44Å; E401-F428 HydrophobicContact CG-CD1 3.83Å; E401-F428 HydrophobicContact CG-CE1 3.68Å; E401-F428 HydrophobicContact CG-CZ 4.45Å; E401-F428 WeakPolarHBondContact OE1-CE1 2.97Å; E401-F428 WeakPolarHBondContact OE2-CE1 3.44Å
429V93.3Very high91.3Very high2 Ų227.9 Ų27.91%0.01215%0.152CC..EExtended strand (participates in β ladder)trans-91.2114171-169.20000107.2I341 V396 P399 R400 Y402I341-V429 HydrophobicContact CD1-CG2 4.05Å; I341-V429 HydrophobicContact CG1-CB 4.39Å; I341-V429 HydrophobicContact CG1-CG1 4.36Å; I341-V429 HydrophobicContact CG1-CG2 3.96Å; I341-V429 WeakPolarHBondContact O-CA 3.03Å; V396-V429 HydrophobicContact CG2-CG1 4.05Å; V396-V429 HydrophobicContact CG2-CG2 3.83Å; P399-V429 WeakPolarHBondContact CA-O 3.05Å; R400-V429 HydrophobicContact CB-CB 4.38Å; R400-V429 PolarHBondContact N-O 2.93Å; R400-V429 PolarHBondContact O-N 3.34Å; Y402-V429 HydrophobicContact CD2-CG2 4.02Å; Y402-V429 HydrophobicContact CE2-CG2 3.77Å
430G91.2Very high91.8Very high2 Ų227.1 Ų27.12%0.02114%0.143CC..  trans-61.5156.9176.100000111.7I341 S343 G398 Y432I341-G430 PolarHBondContact O-N 2.77Å; S343-G430 VanDerWaalsContact CB-O 3.3Å; S343-G430 WeakPolarHBondContact CB-O 3.42Å; G398-G430 WeakPolarHBondContact CA-O 3.07Å; G430-Y432 VanDerWaalsContact C-N 3.26Å; G430-Y432 PolarHBondContact O-N 3Å
431P89.9Confident91.9Very high48 Ų4827.4 Ų27.431%0.31214%0.142SC..SBendtrans-72.1-19.8179.427.7-32.6000113.4P399P399-P431 HydrophobicContact CB-CB 4.29Å; P399-P431 HydrophobicContact CG-CB 4.45Å
432Y91.7Very high92Very high65 Ų6527.9 Ų27.926%0.25514%0.142SC..SBendtrans-112.6158-175.7-51.4-63.8000112F247 P261 Y264 S343 G430 F434F247-Y432 HydrophobicContact CD2-CD1 4.07Å; F247-Y432 AromaticContact CD2-CE1 3.98Å; F247-Y432 HydrophobicContact CD2-CE1 3.98Å; F247-Y432 AromaticContact CE2-CD1 3.81Å; F247-Y432 HydrophobicContact CE2-CD1 3.81Å; F247-Y432 AromaticContact CE2-CE1 3.29Å; F247-Y432 HydrophobicContact CE2-CE1 3.29Å; F247-Y432 AromaticContact CE2-CZ 3.93Å; F247-Y432 AromaticContact CZ-CE1 3.92Å; F247-Y432 HydrophobicContact CZ-CE1 3.92Å; P261-Y432 HydrophobicContact CB-CD2 4.23Å; P261-Y432 HydrophobicContact CB-CE1 4.34Å; P261-Y432 HydrophobicContact CB-CE2 3.31Å; P261-Y432 VanDerWaalsContact CB-OH 3.23Å; P261-Y432 WeakPolarHBondContact CB-OH 3.4Å; P261-Y432 HydrophobicContact CG-CD2 3.64Å; P261-Y432 HydrophobicContact CG-CE1 4.45Å; P261-Y432 HydrophobicContact CG-CE2 3.22Å; P261-Y432 HydrophobicContact CG-CG 4.41Å; Y264-Y432 AromaticContact CE2-CD2 3.9Å; Y264-Y432 HydrophobicContact CE2-CD2 3.9Å; Y264-Y432 HydrophobicContact CE2-CE2 4.16Å; S343-Y432 VanDerWaalsContact CB-O 3.27Å; S343-Y432 WeakPolarHBondContact CB-O 3.49Å; S343-Y432 PolarHBondContact N-O 3.48Å; G430-Y432 VanDerWaalsContact C-N 3.26Å; G430-Y432 PolarHBondContact O-N 3Å; Y432-F434 VanDerWaalsContact C-N 3.28Å; Y432-F434 HydrophobicContact CD1-CE1 4.36Å; Y432-F434 HydrophobicContact CD1-CZ 4.33Å; Y432-F434 HydrophobicContact CD2-CE2 4.49Å; Y432-F434 HydrophobicContact CD2-CZ 4.15Å; Y432-F434 HydrophobicContact CG-CE1 4.02Å; Y432-F434 HydrophobicContact CG-CE2 4.4Å; Y432-F434 AromaticContact CG-CZ 3.77Å; Y432-F434 HydrophobicContact CG-CZ 3.77Å; Y432-F434 PolarHBondContact O-N 3.38Å
433T89.8Confident91.8Very high84 Ų8429.8 Ų29.852%0.51515%0.151SC..  trans-82-6.8-176.557.80000114.1T342 S343 E344T342-T433 WeakPolarHBondContact CB-O 3.25Å; T342-T433 PolarHBondContact OG1-O 3.17Å; S343-T433 VanDerWaalsContact O-CA 3.29Å; S343-T433 WeakPolarHBondContact O-CA 3.25Å; S343-T433 WeakPolarHBondContact O-CG2 3.4Å; E344-T433 HydrophobicContact CB-CG2 3.96Å; E344-T433 HydrophobicContact CG-CG2 4.2Å
434F84.2Confident91.7Very high54 Ų5430.2 Ų30.224%0.23715%0.152CC..  trans-112.30-174.454.1-98.6000114.4Q246 F247 P261 Y264 C272 T342 Y432Q246-F434 VanDerWaalsContact CD-CB 3.46Å; Q246-F434 HydrophobicContact CG-CB 3.71Å; Q246-F434 HydrophobicContact CG-CD1 3.61Å; Q246-F434 HydrophobicContact CG-CD2 3.97Å; Q246-F434 HydrophobicContact CG-CE1 4.17Å; Q246-F434 HydrophobicContact CG-CG 3.49Å; Q246-F434 VanDerWaalsContact CG-CG 3.49Å; Q246-F434 WeakPolarHBondContact O-CE1 3.49Å; F247-F434 HydrophobicContact CB-CE1 4.01Å; F247-F434 HydrophobicContact CB-CZ 3.72Å; F247-F434 HydrophobicContact CD2-CE1 4.09Å; F247-F434 HydrophobicContact CD2-CZ 4.01Å; F247-F434 HydrophobicContact CG-CE1 4.49Å; F247-F434 HydrophobicContact CG-CZ 4.14Å; P261-F434 HydrophobicContact CG-CE2 4.41Å; P261-F434 HydrophobicContact CG-CZ 4.11Å; Y264-F434 HydrophobicContact CD1-CE2 4.07Å; Y264-F434 HydrophobicContact CE1-CD2 4.27Å; Y264-F434 HydrophobicContact CE1-CE2 4.01Å; C272-F434 HydrophobicContact CB-CD2 4.08Å; C272-F434 HydrophobicContact CB-CE2 3.54Å; C272-F434 HydrophobicContact CB-CZ 4.29Å; T342-F434 VanDerWaalsContact CG2-C 3.43Å; T342-F434 WeakPolarHBondContact CG2-O 3.41Å; Y432-F434 VanDerWaalsContact C-N 3.28Å; Y432-F434 HydrophobicContact CD1-CE1 4.36Å; Y432-F434 HydrophobicContact CD1-CZ 4.33Å; Y432-F434 HydrophobicContact CD2-CE2 4.49Å; Y432-F434 HydrophobicContact CD2-CZ 4.15Å; Y432-F434 HydrophobicContact CG-CE1 4.02Å; Y432-F434 HydrophobicContact CG-CE2 4.4Å; Y432-F434 AromaticContact CG-CZ 3.77Å; Y432-F434 HydrophobicContact CG-CZ 3.77Å; Y432-F434 PolarHBondContact O-N 3.38Å

Retrieved 434 of 434 residues in 190.6 ms (Link to these results)