A0A093HYT6_STRCA Loading...

BTB/POZ domain-containing protein KCTD4

AlphaFold DB , UniProt , Accession A0A093HYT6, Species STRCA (Struthio camelus australis), Gene n/a, Length 257 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
1M36.8Very low34Very low241 Ų241188.3 Ų188.3100%1.18784%0.843SS**  0118.60-73.4170.6-169.900107.2
2E35Very low33.4Very low161 Ų161188.6 Ų188.675%0.75284%0.836SS**  trans30111.4157.3-64.8178146.200119.7
3R30.6Very low33.3Very low213 Ų213188.5 Ų188.580%0.80484%0.839SS**  67.3131.387.9-70.1175.7179.2175.90.3112.1
4K37.6Very low32.9Very low174 Ų174187.6 Ų187.676%0.75784%0.838SS**  cis-169.7132.4-0.1-101.1176.8-178.5-175.70106.9
5T35.1Very low32.8Very low125 Ų125188.9 Ų188.977%0.76784%0.842SS**  trans29.1111.2136-22.90000118.5
6N38.4Very low32.6Very low151 Ų151189.1 Ų189.181%0.80785%0.845SS**  63.6110.970.4-155.513.8000115
7R33.2Very low32.3Very low236 Ų236184.2 Ų184.289%0.89184%0.838SS**  trans166.4113.4153-111.5177.7163.2164.1-5.1109.8
8R32.6Very low32Very low251 Ų251183.2 Ų183.295%0.94784%0.841SS**  trans170.569.7144.5-92.9168.3-158.4-165.55.9109
9E35.6Very low32Very low175 Ų175179.9 Ų179.982%0.81884%0.841SS**  trans-124.8132148.5-80.2-170.7173.100107.1
10K30.9Very low32.2Very low190 Ų190180.5 Ų180.583%0.82684%0.844SS**  trans67.6116.1165.1-62175.4-179.4177.90116.7
11E28.2Very low32Very low154 Ų154174.9 Ų174.972%0.7283%0.834SS**  174.6152.2111.1-87.6170.6-17700109.9
12Y26.6Very low32.3Very low192 Ų192168.9 Ų168.975%0.75382%0.816SS**  trans96.481.1162.9-57.8-75.3000118.9
13E32.2Very low32.4Very low187 Ų187170.4 Ų170.487%0.87482%0.823SS**  -58.6152.7124.6-80.6171.7152.900110.6
14E28.2Very low32.8Very low177 Ų177169 Ų16983%0.82783%0.826SS**  trans73.9109172.6-65.8-173.6153.800118.6
15K31.3Very low32.9Very low206 Ų206167.8 Ų167.890%0.89683%0.828SS**  -165119.7110.9-98.7165.4-165.5-175.40111.7
16H29.4Very low33.4Very low193 Ų193171.5 Ų171.589%0.89483%0.833SS**  trans-47.4137.3155.9-92.2-70.1000111.3
17S26.8Very low33.6Very low105 Ų105171.4 Ų171.473%0.73483%0.833SS**  153.2126.2114.363.50000111.9
18N28.1Very low34.1Very low167 Ų167164.9 Ų164.989%0.89382%0.822SS**  trans42.5115.4153.8-73.50.7000119.8
19S32.1Very low35Very low120 Ų120161.2 Ų161.284%0.83981%0.813SS**  -153.3119.1125.4-170.20000109.4
20E35.9Very low36.1Very low192 Ų192157 Ų15790%0.89780%0.799SS**  trans-51144.1154.3-61.4173.6150.300109.2
21G28Very low38.7Very low62 Ų62151.2 Ų151.264%0.63978%0.783SS**  trans166.378179.300000112.8E23G21-E23 PolarHBondContact O-N 3.04Å
22S42.5Very low41.8Very low115 Ų115149.6 Ų149.680%0.80478%0.778SS**  trans0.3103.6152.655.40000117.3
23E37.4Very low45.1Very low194 Ų194141.4 Ų141.491%0.90775%0.749SS**  trans-114.271147.7-72.6-174.4168.600107.5G21 D25G21-E23 PolarHBondContact O-N 3.04Å; E23-D25 PolarHBondContact O-N 3Å
24Q39.7Very low48.2Very low182 Ų182134.1 Ų134.185%0.8572%0.717SS**  trans-69.693.4156.7-83.8-177-6.200106.3K26Q24-K26 PolarHBondContact O-N 3.22Å
25D39.2Very low51.5Low150 Ų150125.8 Ų125.880%0.80268%0.678SS**  trans-55.8109.8169.7-149.9-0.8000107.7E23 D27E23-D25 PolarHBondContact O-N 3Å; D25-D27 PolarHBondContact O-N 3.13Å
26K45.5Very low54.7Low202 Ų202117 Ų11788%0.87864%0.641SS**  trans-74.673.4176.1-78.9-175.9175.7175.80107.6Q24Q24-K26 PolarHBondContact O-N 3.22Å
27D43.3Very low58Low150 Ų150107.8 Ų107.880%0.80260%0.598SS**  trans-82.2132.3170.7-163.725.4000111D25 K29D25-D27 PolarHBondContact O-N 3.13Å; D27-K29 PolarHBondContact O-N 2.86Å
28C43Very low61.3Low98 Ų98104.6 Ų104.666%0.66258%0.582SS**  trans-79112.7-164.8-172.50000110.7T30C28-T30 PolarHBondContact O-N 2.86Å
29K50.9Low64.5Low175 Ų17599.4 Ų99.476%0.76157%0.567SS**SBendtrans29.279.1147.3-65.9178177.5177.30116.2D27D27-K29 PolarHBondContact O-N 2.86Å
30T57.9Low67.7Low85 Ų8598.8 Ų98.852%0.52155%0.547SS..  trans175.151.2144.135.40000111.4C28 L32 Q45C28-T30 PolarHBondContact O-N 2.86Å; T30-L32 PolarHBondContact O-N 3.4Å; T30-L32 VanDerWaalsContact O-N 3.16Å; T30-Q45 HydrophobicContact CG2-CG 4.47Å
31S85.6Confident70.6Confident69 Ų6994.7 Ų94.748%0.48353%0.531SS..  trans-66.7120.116952.40000109.7K46S31-K46 PolarHBondContact O-N 3.17Å; S31-K46 WeakPolarHBondContact OG-CB 3.19Å
32L94.8Very high74Confident120 Ų12093.6 Ų93.663%0.62851%0.508SS*.EExtended strand (participates in β ladder)trans-74.3144171.6-65176.2000109.2T30 I43 T44 Q45T30-L32 PolarHBondContact O-N 3.4Å; T30-L32 VanDerWaalsContact O-N 3.16Å; L32-I43 HydrophobicContact CB-CG2 4.43Å; L32-T44 CarbonylContact C-O 3.59Å; L32-T44 WeakPolarHBondContact CA-O 3.48Å; L32-Q45 HydrophobicContact CD2-CG 3.87Å
33V95.8Very high76.6Confident21 Ų2193.1 Ų93.113%0.12750%0.495CS..EExtended strand (participates in β ladder)trans-130.2132.2176.9-177.30000107.8L35 T44 K46 L49 I61 Y75V33-L35 HydrophobicContact CG1-CD2 4.03Å; V33-T44 PolarHBondContact N-O 2.93Å; V33-T44 PolarHBondContact O-N 3.02Å; V33-K46 HydrophobicContact CG2-CB 4.13Å; V33-L49 HydrophobicContact CB-CD1 4.12Å; V33-L49 HydrophobicContact CG1-CD1 4.1Å; V33-I61 HydrophobicContact CB-CD1 4.5Å; V33-I61 HydrophobicContact CG1-CD1 3.83Å; V33-I61 HydrophobicContact CG2-CD1 4.2Å; V33-Y75 HydrophobicContact CG1-CD2 3.76Å; V33-Y75 HydrophobicContact CG1-CE2 3.92Å
34T97.2Very high79.4Confident34 Ų3484.2 Ų84.221%0.20945%0.454CS..EExtended strand (participates in β ladder)trans-99.9131.1172.1-52.20000109.2L41 Y42 I43 H74 Y75T34-L41 HydrophobicContact CG2-CD2 4.41Å; T34-Y42 CarbonylContact C-O 3.41Å; T34-Y42 WeakPolarHBondContact CA-O 3.48Å; T34-I43 HydrophobicContact CG2-CG1 4.13Å; T34-H74 WeakPolarHBondContact CB-CD2 3.43Å; T34-H74 HydrophobicContact CG2-CB 4.16Å; T34-Y75 PolarHBondContact O-N 2.93Å
35L97.9Very high82.1Confident2 Ų278.7 Ų78.71%0.0143%0.429CS..EExtended strand (participates in β ladder)trans-115.9136.7174.6-54.5177.9000108.7V33 V37 L41 Y42 L49 L57 Y75 F84V33-L35 HydrophobicContact CG1-CD2 4.03Å; L35-V37 HydrophobicContact CB-CG2 4.17Å; L35-L41 CarbonylContact O-C 3.58Å; L35-L41 WeakPolarHBondContact O-CA 3.27Å; L35-Y42 PolarHBondContact N-O 3.17Å; L35-Y42 PolarHBondContact O-N 2.91Å; L35-L49 HydrophobicContact CD1-CD1 3.97Å; L35-L49 HydrophobicContact CD1-CD2 3.77Å; L35-L49 HydrophobicContact CD2-CD1 4.14Å; L35-L49 HydrophobicContact CG-CD1 4.29Å; L35-L57 HydrophobicContact CD1-CD2 4.25Å; L35-Y75 CarbonylContact C-O 3.57Å; L35-Y75 WeakPolarHBondContact CA-O 3.28Å; L35-Y75 HydrophobicContact CD2-CD2 4.06Å; L35-Y75 HydrophobicContact CD2-CG 4.3Å; L35-F84 HydrophobicContact CD1-CE1 4.05Å; L35-F84 HydrophobicContact CD1-CZ 3.71Å
36N98.2Very high84.8Confident21 Ų2175.6 Ų75.611%0.11241%0.408CS..EExtended strand (participates in β ladder)trans-105.9104.5169.5-175.6-17000108.7G39 L41 D70 Y75 F76 I77N36-G39 WeakPolarHBondContact OD1-CA 3.47Å; N36-G39 PolarHBondContact OD1-N 3.2Å; N36-L41 HydrophobicContact CB-CD2 3.7Å; N36-D70 WeakPolarHBondContact CB-OD2 3.38Å; N36-D70 PolarHBondContact ND2-OD2 3.16Å; N36-Y75 PolarHBondContact N-O 3.3Å; N36-F76 HydrophobicContact CB-CD2 4.05Å; N36-F76 CarbonylContact O-C 3.49Å; N36-F76 WeakPolarHBondContact O-CA 3.41Å; N36-F76 WeakPolarHBondContact O-CD2 3.48Å; N36-I77 PolarHBondContact O-N 2.79Å
37V98.3Very high87.2Confident0 Ų070.9 Ų70.90%039%0.389CS..EExtended strand (participates in β ladder)trans-108.2101.2-176-170.50000109.3L35 G39 Y40 Y42 I77 R79 G81 F84L35-V37 HydrophobicContact CB-CG2 4.17Å; V37-G39 PolarHBondContact O-N 2.81Å; V37-G39 VanDerWaalsContact O-N 3.16Å; V37-Y40 PolarHBondContact N-O 3.48Å; V37-Y40 WeakPolarHBondContact O-CB 3.34Å; V37-Y40 PolarHBondContact O-N 2.78Å; V37-Y42 HydrophobicContact CB-CD2 4.42Å; V37-Y42 HydrophobicContact CG2-CD2 4.19Å; V37-I77 CarbonylContact C-O 3.53Å; V37-I77 VanDerWaalsContact CA-O 3.3Å; V37-I77 WeakPolarHBondContact CA-O 3.39Å; V37-I77 HydrophobicContact CG1-CB 4.35Å; V37-I77 HydrophobicContact CG1-CG2 4.27Å; V37-I77 HydrophobicContact CG2-CB 4.28Å; V37-I77 HydrophobicContact CG2-CD1 4.31Å; V37-R79 HydrophobicContact CG1-CB 4.01Å; V37-G81 VanDerWaalsContact O-CA 3.3Å; V37-G81 WeakPolarHBondContact O-CA 3.16Å; V37-F84 HydrophobicContact CB-CB 4.43Å; V37-F84 HydrophobicContact CB-CD1 4.41Å; V37-F84 HydrophobicContact CB-CG 4.3Å; V37-F84 HydrophobicContact CG1-CB 3.98Å; V37-F84 HydrophobicContact CG1-CD2 4.28Å; V37-F84 HydrophobicContact CG1-CG 4.05Å; V37-F84 HydrophobicContact CG2-CD1 3.79Å; V37-F84 HydrophobicContact CG2-CD2 4.25Å; V37-F84 HydrophobicContact CG2-CE1 3.91Å; V37-F84 HydrophobicContact CG2-CE2 4.38Å; V37-F84 HydrophobicContact CG2-CG 3.95Å; V37-F84 HydrophobicContact CG2-CZ 4.21Å
38G96.3Very high89.7Confident38 Ų3864.5 Ų64.539%0.39236%0.356SS..THydrogen-bonded Turntrans56.431.2-178.400000113.9I77 R79G38-I77 PolarHBondContact N-O 3.05Å; G38-R79 VanDerWaalsContact CA-O 3.27Å; G38-R79 WeakPolarHBondContact CA-O 3.47Å; G38-R79 PolarHBondContact N-O 2.82Å
39G95.7Very high92.3Very high57 Ų5759.9 Ų59.959%0.58832%0.324SS*.THydrogen-bonded Turntrans94.2-6.7-175.600000115N36 V37N36-G39 WeakPolarHBondContact OD1-CA 3.47Å; N36-G39 PolarHBondContact OD1-N 3.2Å; V37-G39 PolarHBondContact O-N 2.81Å; V37-G39 VanDerWaalsContact O-N 3.16Å
40Y97.9Very high94.4Very high107 Ų10753.6 Ų53.642%0.4230%0.301SS..EExtended strand (participates in β ladder)trans-94120.5176.3-67-98.6000110.8V37 Y42 L82V37-Y40 PolarHBondContact N-O 3.48Å; V37-Y40 WeakPolarHBondContact O-CB 3.34Å; V37-Y40 PolarHBondContact O-N 2.78Å; Y40-Y42 WeakPolarHBondContact O-CD2 3.16Å; Y40-L82 HydrophobicContact CD1-CD2 4.37Å; Y40-L82 HydrophobicContact CE1-CD2 3.53Å; Y40-L82 HydrophobicContact CE1-CG 4.04Å; Y40-L82 HydrophobicContact CE2-CG 4.26Å
41L97.9Very high96.2Very high106 Ų10654 Ų5456%0.55530%0.295SS*.EExtended strand (participates in β ladder)trans-83.5125.8178.1-63.3179.2000111.5T34 L35 N36T34-L41 HydrophobicContact CG2-CD2 4.41Å; L35-L41 CarbonylContact O-C 3.58Å; L35-L41 WeakPolarHBondContact O-CA 3.27Å; N36-L41 HydrophobicContact CB-CD2 3.7Å
42Y98.2Very high96.6Very high39 Ų3952.7 Ų52.715%0.15328%0.28CS..EExtended strand (participates in β ladder)trans-122.1127.1175.5-74.3-83.9000110.3T34 L35 V37 Y40 G81 F84 R85 L88T34-Y42 CarbonylContact C-O 3.41Å; T34-Y42 WeakPolarHBondContact CA-O 3.48Å; L35-Y42 PolarHBondContact N-O 3.17Å; L35-Y42 PolarHBondContact O-N 2.91Å; V37-Y42 HydrophobicContact CB-CD2 4.42Å; V37-Y42 HydrophobicContact CG2-CD2 4.19Å; Y40-Y42 WeakPolarHBondContact O-CD2 3.16Å; Y42-G81 VanDerWaalsContact CE2-O 3.28Å; Y42-G81 WeakPolarHBondContact CE2-O 3.35Å; Y42-G81 VanDerWaalsContact CZ-O 3.27Å; Y42-G81 PolarHBondContact OH-O 3.19Å; Y42-F84 HydrophobicContact CD1-CD1 4.18Å; Y42-F84 HydrophobicContact CD1-CE1 4.47Å; Y42-F84 AromaticContact CD2-CD1 3.48Å; Y42-F84 HydrophobicContact CD2-CD1 3.48Å; Y42-F84 VanDerWaalsContact CD2-CD1 3.48Å; Y42-F84 AromaticContact CD2-CE1 3.99Å; Y42-F84 HydrophobicContact CD2-CE1 3.99Å; Y42-F84 HydrophobicContact CE1-CD1 4.32Å; Y42-F84 HydrophobicContact CE2-CB 4.2Å; Y42-F84 AromaticContact CE2-CD1 3.63Å; Y42-F84 HydrophobicContact CE2-CD1 3.63Å; Y42-F84 HydrophobicContact CE2-CG 4.37Å; Y42-F84 AromaticContact CG-CD1 3.76Å; Y42-F84 HydrophobicContact CG-CD1 3.76Å; Y42-F84 AromaticContact CG-CE1 3.93Å; Y42-F84 HydrophobicContact CG-CE1 3.93Å; Y42-R85 HydrophobicContact CE1-CB 4.3Å; Y42-R85 PolarHBondContact OH-N 3.43Å; Y42-L88 HydrophobicContact CD1-CD2 3.62Å; Y42-L88 HydrophobicContact CE1-CD2 4.4Å; Y42-L88 HydrophobicContact CG-CD2 4.24Å
43I97.4Very high96.6Very high105 Ų10551.5 Ų51.554%0.53828%0.279SS..EExtended strand (participates in β ladder)trans-107.7129.5173.4-54.9174.4000108.2L32 T34 R92L32-I43 HydrophobicContact CB-CG2 4.43Å; T34-I43 HydrophobicContact CG2-CG1 4.13Å; I43-R92 PolarHBondContact O-NH2 2.81Å
44T97.2Very high96.4Very high8 Ų856.5 Ų56.55%0.04931%0.305CS..EExtended strand (participates in β ladder)trans-151.2176177.6-164.10000111L32 V33 L49 L88L32-T44 CarbonylContact C-O 3.59Å; L32-T44 WeakPolarHBondContact CA-O 3.48Å; V33-T44 PolarHBondContact N-O 2.93Å; V33-T44 PolarHBondContact O-N 3.02Å; T44-L49 HydrophobicContact CG2-CD1 3.84Å; T44-L49 HydrophobicContact CG2-CD2 3.71Å; T44-L49 HydrophobicContact CG2-CG 3.63Å; T44-L88 HydrophobicContact CG2-CD1 4.02Å
45Q96.4Very high96.4Very high66 Ų6655 Ų5531%0.30830%0.296SS..EExtended strand (participates in β ladder)trans-87.4146.1176.7-63.2168.6-300110.6T30 L32 Q47 T48T30-Q45 HydrophobicContact CG2-CG 4.47Å; L32-Q45 HydrophobicContact CD2-CG 3.87Å; Q45-Q47 HydrophobicContact CB-CG 3.87Å; Q45-Q47 PolarHBondContact O-N 3.33Å; Q45-T48 WeakPolarHBondContact O-CB 3.36Å; Q45-T48 PolarHBondContact O-N 3.08Å
46K95.4Very high96.4Very high84 Ų8456.4 Ų56.437%0.36530%0.302SS..Hα-helixtrans-49.3-43.6174.5-168.1179.2177.3171.40112S31 V33 T48 L49 T50 I61S31-K46 PolarHBondContact O-N 3.17Å; S31-K46 WeakPolarHBondContact OG-CB 3.19Å; V33-K46 HydrophobicContact CG2-CB 4.13Å; K46-T48 PolarHBondContact O-N 3.05Å; K46-L49 PolarHBondContact O-N 2.84Å; K46-L49 VanDerWaalsContact O-N 3.11Å; K46-T50 HydrophobicContact CG-CG2 4.48Å; K46-T50 PolarHBondContact O-N 2.85Å; K46-T50 VanDerWaalsContact O-N 3.09Å; K46-T50 PolarHBondContact O-OG1 3.31Å; K46-I61 HydrophobicContact CD-CG2 3.92Å; K46-I61 HydrophobicContact CG-CG2 3.4Å
47Q95.6Very high96.3Very high104 Ų10455.4 Ų55.449%0.48630%0.297SS..Hα-helixtrans-60.3-29.5179.563.4176.71.800114.3Q45 K51Q45-Q47 HydrophobicContact CB-CG 3.87Å; Q45-Q47 PolarHBondContact O-N 3.33Å; Q47-K51 PolarHBondContact O-N 3.13Å
48T96.4Very high96.2Very high16 Ų1656.3 Ų56.310%0.09830%0.301CS..Hα-helixtrans-69.6-42.9176.4-55.60000110.7Q45 K46 T50 K51 L88 L91 R92Q45-T48 WeakPolarHBondContact O-CB 3.36Å; Q45-T48 PolarHBondContact O-N 3.08Å; K46-T48 PolarHBondContact O-N 3.05Å; T48-T50 VanDerWaalsContact C-N 3.31Å; T48-T50 PolarHBondContact O-N 3.13Å; T48-K51 WeakPolarHBondContact O-CB 3.48Å; T48-K51 PolarHBondContact O-N 2.91Å; T48-L88 HydrophobicContact CG2-CD1 4.04Å; T48-L91 HydrophobicContact CG2-CB 3.72Å; T48-R92 HydrophobicContact CG2-CG 3.69Å
49L96.7Very high96.2Very high0 Ų054.7 Ų54.70%028%0.284CS..Hα-helixtrans-71.5-28.2-179-60.6178.2000112.3V33 L35 T44 K46 L57 E58 I61 L88 L91V33-L49 HydrophobicContact CB-CD1 4.12Å; V33-L49 HydrophobicContact CG1-CD1 4.1Å; L35-L49 HydrophobicContact CD1-CD1 3.97Å; L35-L49 HydrophobicContact CD1-CD2 3.77Å; L35-L49 HydrophobicContact CD2-CD1 4.14Å; L35-L49 HydrophobicContact CG-CD1 4.29Å; T44-L49 HydrophobicContact CG2-CD1 3.84Å; T44-L49 HydrophobicContact CG2-CD2 3.71Å; T44-L49 HydrophobicContact CG2-CG 3.63Å; K46-L49 PolarHBondContact O-N 2.84Å; K46-L49 VanDerWaalsContact O-N 3.11Å; L49-L57 HydrophobicContact CB-CB 4.33Å; L49-L57 HydrophobicContact CD2-CB 4.39Å; L49-L57 HydrophobicContact CD2-CD1 4.03Å; L49-L57 HydrophobicContact CD2-CD2 4.47Å; L49-E58 PolarHBondContact O-N 3.31Å; L49-I61 HydrophobicContact CB-CG1 3.85Å; L49-I61 HydrophobicContact CD1-CD1 3.66Å; L49-I61 HydrophobicContact CD1-CG1 3.8Å; L49-I61 HydrophobicContact CG-CG1 4.48Å; L49-L88 HydrophobicContact CD2-CD1 4.47Å; L49-L91 HydrophobicContact CD2-CD1 4.31Å
50T95.7Very high96.2Very high44 Ų4452.2 Ų52.227%0.2726%0.257SS..THydrogen-bonded Turntrans-96.39.5178640000113.8K46 T48 Y52 E58 I61K46-T50 HydrophobicContact CG-CG2 4.48Å; K46-T50 PolarHBondContact O-N 2.85Å; K46-T50 VanDerWaalsContact O-N 3.09Å; K46-T50 PolarHBondContact O-OG1 3.31Å; T48-T50 VanDerWaalsContact C-N 3.31Å; T48-T50 PolarHBondContact O-N 3.13Å; T50-Y52 VanDerWaalsContact C-N 3.31Å; T50-Y52 PolarHBondContact O-N 3.4Å; T50-E58 HydrophobicContact CG2-CG 4.35Å; T50-I61 HydrophobicContact CG2-CB 4.06Å; T50-I61 HydrophobicContact CG2-CG2 3.53Å
51K95.4Very high96.1Very high94 Ų9447.8 Ų47.841%0.40924%0.241SC..SBendtrans-64.5-35.9-176-173.3-178.5-178-178.90112.6Q47 T48 L91 R92Q47-K51 PolarHBondContact O-N 3.13Å; T48-K51 WeakPolarHBondContact O-CB 3.48Å; T48-K51 PolarHBondContact O-N 2.91Å; K51-L91 WeakPolarHBondContact CD-O 3.45Å; K51-L91 PolarHBondContact NZ-O 3.28Å; K51-R92 PolarHBondContact NZ-O 2.95Å
52Y94.8Very high95.9Very high41 Ų4146.5 Ų46.516%0.16124%0.235CC..SBendtrans-105.1113.4177.9-68.3-93.4000108.8T50 S55 F90 L91 G94 L117 V119T50-Y52 VanDerWaalsContact C-N 3.31Å; T50-Y52 PolarHBondContact O-N 3.4Å; Y52-S55 WeakPolarHBondContact O-CB 3.4Å; Y52-S55 PolarHBondContact O-OG 2.69Å; Y52-F90 HydrophobicContact CE1-CE1 4.05Å; Y52-F90 HydrophobicContact CE1-CZ 4.5Å; Y52-F90 HydrophobicContact CE2-CD1 4.22Å; Y52-F90 AromaticContact CE2-CE1 3.84Å; Y52-F90 HydrophobicContact CE2-CE1 3.84Å; Y52-F90 AromaticContact CZ-CE1 3.48Å; Y52-F90 VanDerWaalsContact CZ-CE1 3.48Å; Y52-F90 WeakPolarHBondContact OH-CE1 3.41Å; Y52-L91 HydrophobicContact CD2-CD2 3.43Å; Y52-L91 VanDerWaalsContact CD2-CD2 3.43Å; Y52-L91 HydrophobicContact CE2-CD2 3.86Å; Y52-L91 HydrophobicContact CG-CD2 4.46Å; Y52-G94 WeakPolarHBondContact OH-CA 3.44Å; Y52-L117 HydrophobicContact CD2-CD2 4.12Å; Y52-L117 HydrophobicContact CG-CD2 3.94Å; Y52-V119 HydrophobicContact CD1-CG2 4.5Å; Y52-V119 HydrophobicContact CE1-CB 4.33Å; Y52-V119 HydrophobicContact CE1-CG2 4.23Å
53P93.3Very high95.6Very high95 Ų9547.5 Ų47.562%0.61726%0.257SS*.THydrogen-bonded Turntrans-62.7152.7175.628.6-34000109.9S55P53-S55 PolarHBondContact O-N 3.5Å
54D92.9Very high95.4Very high125 Ų12548.8 Ų48.867%0.66826%0.259SS*.THydrogen-bonded Turntrans61.311.8179.2-47.9-43.4000114.8Q116D54-Q116 PolarHBondContact O-OE1 3.06Å
55S96.8Very high95.2Very high2 Ų251 Ų511%0.01427%0.27CS..  trans-76.9155.1168.467.50000110.8Y52 P53 L57 E58 G59Y52-S55 WeakPolarHBondContact O-CB 3.4Å; Y52-S55 PolarHBondContact O-OG 2.69Å; P53-S55 PolarHBondContact O-N 3.5Å; S55-L57 PolarHBondContact O-N 3.43Å; S55-E58 PolarHBondContact O-N 3.47Å; S55-E58 WeakPolarHBondContact OG-CB 3.35Å; S55-E58 PolarHBondContact OG-N 3.22Å; S55-G59 PolarHBondContact O-N 2.99Å
56F97.3Very high95.1Very high32 Ų3256.8 Ų56.814%0.1430%0.299CS..Hα-helixtrans-54.2-44.2176.1175-92.4000111.5G59 V60 I65 I77 F114 F115F56-G59 PolarHBondContact O-N 2.92Å; F56-V60 HydrophobicContact CD1-CG2 4.09Å; F56-V60 HydrophobicContact CE1-CG2 3.63Å; F56-V60 HydrophobicContact CE2-CG2 4.31Å; F56-V60 HydrophobicContact CZ-CG2 3.75Å; F56-V60 WeakPolarHBondContact O-CG2 3.3Å; F56-V60 PolarHBondContact O-N 3.31Å; F56-I65 HydrophobicContact CD2-CD1 3.93Å; F56-I65 HydrophobicContact CD2-CG2 4.32Å; F56-I65 HydrophobicContact CE2-CD1 4.49Å; F56-I65 HydrophobicContact CE2-CG2 3.83Å; F56-I65 HydrophobicContact CG-CD1 4.47Å; F56-I65 HydrophobicContact CZ-CG2 4.42Å; F56-I77 HydrophobicContact CE1-CD1 4.22Å; F56-I77 HydrophobicContact CE1-CG1 4.32Å; F56-F114 HydrophobicContact CD1-CE1 4.46Å; F56-F114 HydrophobicContact CE1-CE1 4.38Å; F56-F114 HydrophobicContact CE2-CZ 4.49Å; F56-F114 HydrophobicContact CZ-CZ 4.44Å; F56-F115 HydrophobicContact CB-CD1 4.49Å; F56-F115 AromaticContact CD1-CD1 3.96Å; F56-F115 HydrophobicContact CD1-CD1 3.96Å; F56-F115 HydrophobicContact CD1-CE1 4.27Å; F56-F115 PolarHBondContact N-O 3.34Å
57L97.1Very high95Very high1 Ų153.8 Ų53.81%0.00529%0.289CS..Hα-helixtrans-68.1-37.8-177.6-64.6167.6000112L35 L49 S55 G59 V60 I61 I77 F84 L91 F115L35-L57 HydrophobicContact CD1-CD2 4.25Å; L49-L57 HydrophobicContact CB-CB 4.33Å; L49-L57 HydrophobicContact CD2-CB 4.39Å; L49-L57 HydrophobicContact CD2-CD1 4.03Å; L49-L57 HydrophobicContact CD2-CD2 4.47Å; S55-L57 PolarHBondContact O-N 3.43Å; L57-G59 VanDerWaalsContact C-N 3.32Å; L57-V60 PolarHBondContact O-N 2.93Å; L57-I61 WeakPolarHBondContact O-CB 3.42Å; L57-I61 WeakPolarHBondContact O-CG1 3.46Å; L57-I61 PolarHBondContact O-N 2.81Å; L57-I77 HydrophobicContact CD2-CD1 3.78Å; L57-F84 HydrophobicContact CD1-CE2 4.12Å; L57-F84 HydrophobicContact CD1-CZ 4.28Å; L57-L91 HydrophobicContact CD1-CD1 3.55Å; L57-F115 HydrophobicContact CD1-CD1 4.15Å; L57-F115 HydrophobicContact CD2-CD1 4.18Å; L57-F115 HydrophobicContact CD2-CE1 4.17Å; L57-F115 HydrophobicContact CG-CD1 3.96Å; L57-F115 HydrophobicContact CG-CE1 4.44Å
58E96.6Very high95Very high19 Ų1952.7 Ų52.79%0.08929%0.29CS..Hα-helixtrans-61.3-44.4171.9-174.7-86171.100110.9L49 T50 S55 V60 I61 N62 K64L49-E58 PolarHBondContact O-N 3.31Å; T50-E58 HydrophobicContact CG2-CG 4.35Å; S55-E58 PolarHBondContact O-N 3.47Å; S55-E58 WeakPolarHBondContact OG-CB 3.35Å; S55-E58 PolarHBondContact OG-N 3.22Å; E58-V60 PolarHBondContact O-N 2.8Å; E58-I61 PolarHBondContact O-N 2.78Å; E58-N62 VanDerWaalsContact CD-ND2 3.35Å; E58-N62 WeakPolarHBondContact O-CB 3.3Å; E58-N62 PolarHBondContact O-N 3.16Å; E58-N62 PolarHBondContact OE1-ND2 2.88Å; E58-K64 VanDerWaalsContact CD-NZ 3.31Å; E58-K64 IonicContact OE1-NZ 2.8Å; E58-K64 PolarHBondContact OE1-NZ 3.42Å; E58-K64 IonicContact OE2-NZ 2.95Å; E58-K64 PolarHBondContact OE2-NZ 3.45Å
59G96.3Very high95Very high3 Ų356.9 Ų56.93%0.03131%0.311CS..Hα-helixtrans-62.1-42179.100000112.8S55 F56 L57 G63 K64 I65S55-G59 PolarHBondContact O-N 2.99Å; F56-G59 PolarHBondContact O-N 2.92Å; L57-G59 VanDerWaalsContact C-N 3.32Å; G59-G63 CarbonylContact O-C 3.49Å; G59-G63 PolarHBondContact O-N 2.89Å; G59-G63 VanDerWaalsContact O-N 3.13Å; G59-K64 PolarHBondContact O-N 3.01Å; G59-I65 PolarHBondContact O-N 2.82Å
60V95.5Very high94.9Very high5 Ų558 Ų583%0.0332%0.318CS..Hα-helixtrans-62.8-48.5175.3169.30000110.9F56 L57 E58 N62 G63 I65 C67 Y75F56-V60 HydrophobicContact CD1-CG2 4.09Å; F56-V60 HydrophobicContact CE1-CG2 3.63Å; F56-V60 HydrophobicContact CE2-CG2 4.31Å; F56-V60 HydrophobicContact CZ-CG2 3.75Å; F56-V60 WeakPolarHBondContact O-CG2 3.3Å; F56-V60 PolarHBondContact O-N 3.31Å; L57-V60 PolarHBondContact O-N 2.93Å; E58-V60 PolarHBondContact O-N 2.8Å; V60-N62 VanDerWaalsContact C-N 3.32Å; V60-N62 PolarHBondContact O-N 2.98Å; V60-G63 PolarHBondContact O-N 3.45Å; V60-G63 VanDerWaalsContact O-N 3.13Å; V60-I65 HydrophobicContact CG2-CB 4.02Å; V60-I65 HydrophobicContact CG2-CG2 3.93Å; V60-C67 HydrophobicContact CB-CB 4.26Å; V60-C67 HydrophobicContact CG1-CB 3.53Å; V60-C67 HydrophobicContact CG2-CB 3.73Å; V60-Y75 HydrophobicContact CG1-CD1 3.65Å; V60-Y75 HydrophobicContact CG1-CE1 3.86Å; V60-Y75 HydrophobicContact CG1-CG 4.09Å
61I95.1Very high94.8Very high15 Ų1560.8 Ų60.88%0.07735%0.345CS..Hα-helixtrans-69.4-30.3-174.9-69.1-60.1000113.1V33 K46 L49 T50 L57 E58 G63 Y75V33-I61 HydrophobicContact CB-CD1 4.5Å; V33-I61 HydrophobicContact CG1-CD1 3.83Å; V33-I61 HydrophobicContact CG2-CD1 4.2Å; K46-I61 HydrophobicContact CD-CG2 3.92Å; K46-I61 HydrophobicContact CG-CG2 3.4Å; L49-I61 HydrophobicContact CB-CG1 3.85Å; L49-I61 HydrophobicContact CD1-CD1 3.66Å; L49-I61 HydrophobicContact CD1-CG1 3.8Å; L49-I61 HydrophobicContact CG-CG1 4.48Å; T50-I61 HydrophobicContact CG2-CB 4.06Å; T50-I61 HydrophobicContact CG2-CG2 3.53Å; L57-I61 WeakPolarHBondContact O-CB 3.42Å; L57-I61 WeakPolarHBondContact O-CG1 3.46Å; L57-I61 PolarHBondContact O-N 2.81Å; E58-I61 PolarHBondContact O-N 2.78Å; I61-G63 VanDerWaalsContact C-N 3.34Å; I61-Y75 HydrophobicContact CD1-CD2 4.35Å; I61-Y75 HydrophobicContact CD1-CE2 3.97Å
62N93.6Very high94.8Very high78 Ų7862.7 Ų62.742%0.41736%0.355SS..THydrogen-bonded Turntrans-92.95.8175.8-70-18.5000112.9E58 V60 K64E58-N62 VanDerWaalsContact CD-ND2 3.35Å; E58-N62 WeakPolarHBondContact O-CB 3.3Å; E58-N62 PolarHBondContact O-N 3.16Å; E58-N62 PolarHBondContact OE1-ND2 2.88Å; V60-N62 VanDerWaalsContact C-N 3.32Å; V60-N62 PolarHBondContact O-N 2.98Å; N62-K64 PolarHBondContact O-N 3.33Å
63G92.1Very high94.7Very high61 Ų6162.9 Ų62.963%0.62937%0.37SS*.THydrogen-bonded Turntrans71.811.7176.400000114.9G59 V60 I61G59-G63 CarbonylContact O-C 3.49Å; G59-G63 PolarHBondContact O-N 2.89Å; G59-G63 VanDerWaalsContact O-N 3.13Å; V60-G63 PolarHBondContact O-N 3.45Å; V60-G63 VanDerWaalsContact O-N 3.13Å; I61-G63 VanDerWaalsContact C-N 3.34Å
64K93.6Very high94.8Very high132 Ų13260.7 Ų60.757%0.57435%0.351SS*.SBendtrans-73.1-31173.7-59.8175.3-174.1161.30111.7E58 G59 N62E58-K64 VanDerWaalsContact CD-NZ 3.31Å; E58-K64 IonicContact OE1-NZ 2.8Å; E58-K64 PolarHBondContact OE1-NZ 3.42Å; E58-K64 IonicContact OE2-NZ 2.95Å; E58-K64 PolarHBondContact OE2-NZ 3.45Å; G59-K64 PolarHBondContact O-N 3.01Å; N62-K64 PolarHBondContact O-N 3.33Å
65I93.9Very high95Very high53 Ų5358.3 Ų58.327%0.27233%0.334SS..SBendtrans-114.6125.2179.1-61.4175.9000107.8F56 G59 V60 C67F56-I65 HydrophobicContact CD2-CD1 3.93Å; F56-I65 HydrophobicContact CD2-CG2 4.32Å; F56-I65 HydrophobicContact CE2-CD1 4.49Å; F56-I65 HydrophobicContact CE2-CG2 3.83Å; F56-I65 HydrophobicContact CG-CD1 4.47Å; F56-I65 HydrophobicContact CZ-CG2 4.42Å; G59-I65 PolarHBondContact O-N 2.82Å; V60-I65 HydrophobicContact CG2-CB 4.02Å; V60-I65 HydrophobicContact CG2-CG2 3.93Å; I65-C67 PolarHBondContact O-N 2.55Å
66M93.4Very high95Very high189 Ų18961.3 Ų61.393%0.93135%0.346SS*.  trans-73.4124.4172.7-62.3-136.282.100109.5
67C93.8Very high95.1Very high21 Ų2160 Ų6014%0.14234%0.341CS..  trans-123.6131.9177.81780000108.4V60 I65 Y75 F76V60-C67 HydrophobicContact CB-CB 4.26Å; V60-C67 HydrophobicContact CG1-CB 3.53Å; V60-C67 HydrophobicContact CG2-CB 3.73Å; I65-C67 PolarHBondContact O-N 2.55Å; C67-Y75 HydrophobicContact CB-CD1 4.06Å; C67-F76 PolarHBondContact SG-O 3.49Å
68P95.3Very high95.1Very high80 Ų8066.3 Ų66.352%0.51937%0.374SS..  trans-62.9155.8177.126.7-32.8000110.7F76P68-F76 HydrophobicContact CG-CB 4.3Å; P68-F76 HydrophobicContact CG-CD1 4.15Å; P68-F76 WeakPolarHBondContact CG-O 3.49Å; P68-F76 PolarHBondContact O-N 3.36Å
69L96.4Very high95.2Very high104 Ų10468.9 Ų68.955%0.54538%0.383SS..BIsolated β-bridgetrans-106.2146.2171.2-59.4176.3000109.4H74 Y75L69-H74 CarbonylContact C-O 3.52Å; L69-H74 WeakPolarHBondContact CA-O 3.41Å; L69-Y75 HydrophobicContact CD2-CD1 3.69Å; L69-Y75 HydrophobicContact CD2-CE1 4.01Å; L69-Y75 HydrophobicContact CD2-CG 4.17Å
70D94.6Very high95.2Very high25 Ų2571.6 Ų71.613%0.13440%0.397CS..  trans-75.5-179.6168.968.912000111.8N36 E72 G73 H74 F76N36-D70 WeakPolarHBondContact CB-OD2 3.38Å; N36-D70 PolarHBondContact ND2-OD2 3.16Å; D70-E72 PolarHBondContact O-N 3.01Å; D70-E72 PolarHBondContact OD1-N 3.09Å; D70-E72 VanDerWaalsContact OD1-N 3.13Å; D70-G73 PolarHBondContact O-N 3.45Å; D70-G73 PolarHBondContact OD1-N 3.36Å; D70-H74 PolarHBondContact N-O 3.46Å; D70-H74 WeakPolarHBondContact OD1-CB 3.41Å; D70-H74 IonicContact OD1-CG 3.62Å; D70-H74 PolarHBondContact OD1-N 3.1Å; D70-H74 IonicContact OD1-ND1 3.4Å; D70-H74 PolarHBondContact OD1-ND1 3.04Å; D70-H74 WeakPolarHBondContact OD2-CB 3.38Å; D70-H74 IonicContact OD2-CG 3.71Å; D70-H74 IonicContact OD2-ND1 3.17Å; D70-H74 PolarHBondContact OD2-ND1 3.11Å; D70-F76 HydrophobicContact CB-CB 4.48Å
71A93.8Very high95.3Very high101 Ų10171.4 Ų71.484%0.83540%0.397SS*.THydrogen-bonded Turntrans-62.9-25.5-177.300000112.7
72E94Very high95.4Very high134 Ų13475.6 Ų75.663%0.62642%0.419SS*.THydrogen-bonded Turntrans-90.5-2.3178.8-63.371.9-155.400112.8D70 H74D70-E72 PolarHBondContact O-N 3.01Å; D70-E72 PolarHBondContact OD1-N 3.09Å; D70-E72 VanDerWaalsContact OD1-N 3.13Å; E72-H74 VanDerWaalsContact CB-CE1 3.41Å; E72-H74 WeakPolarHBondContact CB-CE1 3.38Å
73G93.8Very high95.6Very high46 Ų4672.1 Ų72.147%0.47440%0.4SS..SBendtrans84.515.4177.600000114.7D70D70-G73 PolarHBondContact O-N 3.45Å; D70-G73 PolarHBondContact OD1-N 3.36Å
74H95.3Very high95.9Very high49 Ų4969.2 Ų69.223%0.22737%0.37CS..PPolyproline II helixtrans-85.2150.7173.5-45.8124.4000111.3T34 L69 D70 E72 F76T34-H74 WeakPolarHBondContact CB-CD2 3.43Å; T34-H74 HydrophobicContact CG2-CB 4.16Å; L69-H74 CarbonylContact C-O 3.52Å; L69-H74 WeakPolarHBondContact CA-O 3.41Å; D70-H74 PolarHBondContact N-O 3.46Å; D70-H74 WeakPolarHBondContact OD1-CB 3.41Å; D70-H74 IonicContact OD1-CG 3.62Å; D70-H74 PolarHBondContact OD1-N 3.1Å; D70-H74 IonicContact OD1-ND1 3.4Å; D70-H74 PolarHBondContact OD1-ND1 3.04Å; D70-H74 WeakPolarHBondContact OD2-CB 3.38Å; D70-H74 IonicContact OD2-CG 3.71Å; D70-H74 IonicContact OD2-ND1 3.17Å; D70-H74 PolarHBondContact OD2-ND1 3.11Å; E72-H74 VanDerWaalsContact CB-CE1 3.41Å; E72-H74 WeakPolarHBondContact CB-CE1 3.38Å; H74-F76 PolarHBondContact O-N 2.91Å
75Y96.8Very high96.1Very high75 Ų7570.2 Ų70.229%0.29437%0.37SS..EExtended strand (participates in β ladder)trans-63.3121.2174.6-66.8-73.4000110.9V33 T34 L35 N36 V60 I61 C67 L69V33-Y75 HydrophobicContact CG1-CD2 3.76Å; V33-Y75 HydrophobicContact CG1-CE2 3.92Å; T34-Y75 PolarHBondContact O-N 2.93Å; L35-Y75 CarbonylContact C-O 3.57Å; L35-Y75 WeakPolarHBondContact CA-O 3.28Å; L35-Y75 HydrophobicContact CD2-CD2 4.06Å; L35-Y75 HydrophobicContact CD2-CG 4.3Å; N36-Y75 PolarHBondContact N-O 3.3Å; V60-Y75 HydrophobicContact CG1-CD1 3.65Å; V60-Y75 HydrophobicContact CG1-CE1 3.86Å; V60-Y75 HydrophobicContact CG1-CG 4.09Å; I61-Y75 HydrophobicContact CD1-CD2 4.35Å; I61-Y75 HydrophobicContact CD1-CE2 3.97Å; C67-Y75 HydrophobicContact CB-CD1 4.06Å; L69-Y75 HydrophobicContact CD2-CD1 3.69Å; L69-Y75 HydrophobicContact CD2-CE1 4.01Å; L69-Y75 HydrophobicContact CD2-CG 4.17Å
76F97.9Very high96.3Very high65 Ų6569 Ų6929%0.28536%0.363SS..EExtended strand (participates in β ladder)trans-97.9128.4-179.5-178.4-103.9000111.5N36 C67 P68 D70 H74 D78N36-F76 HydrophobicContact CB-CD2 4.05Å; N36-F76 CarbonylContact O-C 3.49Å; N36-F76 WeakPolarHBondContact O-CA 3.41Å; N36-F76 WeakPolarHBondContact O-CD2 3.48Å; C67-F76 PolarHBondContact SG-O 3.49Å; P68-F76 HydrophobicContact CG-CB 4.3Å; P68-F76 HydrophobicContact CG-CD1 4.15Å; P68-F76 WeakPolarHBondContact CG-O 3.49Å; P68-F76 PolarHBondContact O-N 3.36Å; D70-F76 HydrophobicContact CB-CB 4.48Å; H74-F76 PolarHBondContact O-N 2.91Å; F76-D78 HydrophobicContact CE1-CB 3.92Å; F76-D78 HydrophobicContact CZ-CB 4.31Å
77I97.9Very high96.5Very high5 Ų560 Ų603%0.02632%0.319CS..EExtended strand (participates in β ladder)trans-127.2114.9-179.7-60171.5000107.5N36 V37 G38 F56 L57 R79 F114 F115N36-I77 PolarHBondContact O-N 2.79Å; V37-I77 CarbonylContact C-O 3.53Å; V37-I77 VanDerWaalsContact CA-O 3.3Å; V37-I77 WeakPolarHBondContact CA-O 3.39Å; V37-I77 HydrophobicContact CG1-CB 4.35Å; V37-I77 HydrophobicContact CG1-CG2 4.27Å; V37-I77 HydrophobicContact CG2-CB 4.28Å; V37-I77 HydrophobicContact CG2-CD1 4.31Å; G38-I77 PolarHBondContact N-O 3.05Å; F56-I77 HydrophobicContact CE1-CD1 4.22Å; F56-I77 HydrophobicContact CE1-CG1 4.32Å; L57-I77 HydrophobicContact CD2-CD1 3.78Å; I77-R79 HydrophobicContact CG2-CB 3.94Å; I77-R79 HydrophobicContact CG2-CG 3.57Å; I77-R79 PolarHBondContact O-N 3.18Å; I77-F114 HydrophobicContact CG2-CE1 4.13Å; I77-F115 HydrophobicContact CD1-CE1 4.29Å; I77-F115 HydrophobicContact CG2-CE1 4.03Å; I77-F115 HydrophobicContact CG2-CZ 4.13Å
78D97.3Very high96.7Very high132 Ų13259 Ų5971%0.70631%0.312SS*.  trans-80.767.2-178.7-170.223.4000111.6F76F76-D78 HydrophobicContact CE1-CB 3.92Å; F76-D78 HydrophobicContact CZ-CB 4.31Å
79R97.9Very high96.8Very high74 Ų7457.2 Ų57.228%0.27930%0.298SS..SBendtrans-137.1173.1-177.8-63.5-56.2-61175.10.4111.9V37 G38 I77 G81 E111 F114 F115V37-R79 HydrophobicContact CG1-CB 4.01Å; G38-R79 VanDerWaalsContact CA-O 3.27Å; G38-R79 WeakPolarHBondContact CA-O 3.47Å; G38-R79 PolarHBondContact N-O 2.82Å; I77-R79 HydrophobicContact CG2-CB 3.94Å; I77-R79 HydrophobicContact CG2-CG 3.57Å; I77-R79 PolarHBondContact O-N 3.18Å; R79-G81 PolarHBondContact O-N 3.26Å; R79-G81 VanDerWaalsContact O-N 3.08Å; R79-E111 IonicContact CZ-OE1 3.42Å; R79-E111 IonicContact CZ-OE2 3.65Å; R79-E111 IonicContact NE-OE1 3.43Å; R79-E111 PolarHBondContact NE-OE1 3.34Å; R79-E111 IonicContact NE-OE2 2.92Å; R79-E111 PolarHBondContact NE-OE2 3.01Å; R79-E111 IonicContact NH2-OE1 2.69Å; R79-E111 PolarHBondContact NH2-OE1 3.31Å; R79-E111 IonicContact NH2-OE2 3.5Å; R79-E111 PolarHBondContact NH2-OE2 3.26Å; R79-F114 HydrophobicContact CG-CD1 3.62Å; R79-F114 HydrophobicContact CG-CE1 3.35Å; R79-F114 HydrophobicContact CG-CE2 4.28Å; R79-F114 HydrophobicContact CG-CG 4.22Å; R79-F114 HydrophobicContact CG-CZ 3.71Å; R79-F115 HydrophobicContact CB-CZ 4.3Å; R79-F115 HydrophobicContact CG-CZ 4.2Å
80D97.8Very high96.9Very high59 Ų5952.4 Ų52.432%0.31627%0.273SS..  trans-67106.3177.8-169.8-44.7000111.5L82 L83 F84D80-L82 VanDerWaalsContact C-N 3.33Å; D80-L82 PolarHBondContact O-N 2.8Å; D80-L82 WeakPolarHBondContact OD1-CA 3.43Å; D80-L82 WeakPolarHBondContact OD1-CB 3.07Å; D80-L82 PolarHBondContact OD1-N 2.95Å; D80-L83 HydrophobicContact CB-CB 4.26Å; D80-L83 HydrophobicContact CB-CD1 4.2Å; D80-L83 HydrophobicContact CB-CG 4.44Å; D80-L83 PolarHBondContact OD1-N 3.03Å; D80-F84 WeakPolarHBondContact O-CB 3.43Å; D80-F84 PolarHBondContact O-N 3.17Å; D80-F84 VanDerWaalsContact O-N 3.09Å
81G97.3Very high97Very high2 Ų251.3 Ų51.32%0.02127%0.267CS..Hα-helixtrans-69.6-24179.600000114.5V37 Y42 R79V37-G81 VanDerWaalsContact O-CA 3.3Å; V37-G81 WeakPolarHBondContact O-CA 3.16Å; Y42-G81 VanDerWaalsContact CE2-O 3.28Å; Y42-G81 WeakPolarHBondContact CE2-O 3.35Å; Y42-G81 VanDerWaalsContact CZ-O 3.27Å; Y42-G81 PolarHBondContact OH-O 3.19Å; R79-G81 PolarHBondContact O-N 3.26Å; R79-G81 VanDerWaalsContact O-N 3.08Å
82L96.9Very high97.1Very high103 Ų10351.6 Ų51.654%0.53925%0.246SC..Hα-helixtrans-72.6-47176.7-68.7172.9000110.6Y40 D80 F84 R85Y40-L82 HydrophobicContact CD1-CD2 4.37Å; Y40-L82 HydrophobicContact CE1-CD2 3.53Å; Y40-L82 HydrophobicContact CE1-CG 4.04Å; Y40-L82 HydrophobicContact CE2-CG 4.26Å; D80-L82 VanDerWaalsContact C-N 3.33Å; D80-L82 PolarHBondContact O-N 2.8Å; D80-L82 WeakPolarHBondContact OD1-CA 3.43Å; D80-L82 WeakPolarHBondContact OD1-CB 3.07Å; D80-L82 PolarHBondContact OD1-N 2.95Å; L82-F84 VanDerWaalsContact C-N 3.27Å; L82-F84 PolarHBondContact O-N 2.8Å; L82-R85 WeakPolarHBondContact O-CB 3.44Å; L82-R85 PolarHBondContact O-N 2.68Å
83L97.4Very high97.2Very high4 Ų449.6 Ų49.62%0.02124%0.24CC..Hα-helixtrans-67.4-30177.6-68.8174.4000112.2D80 R85 H86 F102 E104 L107 E111D80-L83 HydrophobicContact CB-CB 4.26Å; D80-L83 HydrophobicContact CB-CD1 4.2Å; D80-L83 HydrophobicContact CB-CG 4.44Å; D80-L83 PolarHBondContact OD1-N 3.03Å; L83-R85 PolarHBondContact O-N 2.93Å; L83-R85 VanDerWaalsContact O-N 3.11Å; L83-H86 WeakPolarHBondContact O-CB 3.48Å; L83-H86 PolarHBondContact O-N 3.4Å; L83-F102 HydrophobicContact CD2-CE2 4.47Å; L83-F102 HydrophobicContact CD2-CZ 4.06Å; L83-E104 HydrophobicContact CD2-CB 4.17Å; L83-L107 HydrophobicContact CD1-CB 3.46Å; L83-L107 VanDerWaalsContact CD1-CB 3.46Å; L83-L107 HydrophobicContact CD1-CD1 4.47Å; L83-E111 HydrophobicContact CB-CG 3.98Å; L83-E111 HydrophobicContact CD1-CG 4.09Å
84F98.3Very high97.1Very high0 Ų048.9 Ų48.90%023%0.232CC..Hα-helixtrans-56.3-28.3176.6-172.3-103.9000113.5L35 V37 Y42 L57 D80 L82 H86 V87 L88 F115L35-F84 HydrophobicContact CD1-CE1 4.05Å; L35-F84 HydrophobicContact CD1-CZ 3.71Å; V37-F84 HydrophobicContact CB-CB 4.43Å; V37-F84 HydrophobicContact CB-CD1 4.41Å; V37-F84 HydrophobicContact CB-CG 4.3Å; V37-F84 HydrophobicContact CG1-CB 3.98Å; V37-F84 HydrophobicContact CG1-CD2 4.28Å; V37-F84 HydrophobicContact CG1-CG 4.05Å; V37-F84 HydrophobicContact CG2-CD1 3.79Å; V37-F84 HydrophobicContact CG2-CD2 4.25Å; V37-F84 HydrophobicContact CG2-CE1 3.91Å; V37-F84 HydrophobicContact CG2-CE2 4.38Å; V37-F84 HydrophobicContact CG2-CG 3.95Å; V37-F84 HydrophobicContact CG2-CZ 4.21Å; Y42-F84 HydrophobicContact CD1-CD1 4.18Å; Y42-F84 HydrophobicContact CD1-CE1 4.47Å; Y42-F84 AromaticContact CD2-CD1 3.48Å; Y42-F84 HydrophobicContact CD2-CD1 3.48Å; Y42-F84 VanDerWaalsContact CD2-CD1 3.48Å; Y42-F84 AromaticContact CD2-CE1 3.99Å; Y42-F84 HydrophobicContact CD2-CE1 3.99Å; Y42-F84 HydrophobicContact CE1-CD1 4.32Å; Y42-F84 HydrophobicContact CE2-CB 4.2Å; Y42-F84 AromaticContact CE2-CD1 3.63Å; Y42-F84 HydrophobicContact CE2-CD1 3.63Å; Y42-F84 HydrophobicContact CE2-CG 4.37Å; Y42-F84 AromaticContact CG-CD1 3.76Å; Y42-F84 HydrophobicContact CG-CD1 3.76Å; Y42-F84 AromaticContact CG-CE1 3.93Å; Y42-F84 HydrophobicContact CG-CE1 3.93Å; L57-F84 HydrophobicContact CD1-CE2 4.12Å; L57-F84 HydrophobicContact CD1-CZ 4.28Å; D80-F84 WeakPolarHBondContact O-CB 3.43Å; D80-F84 PolarHBondContact O-N 3.17Å; D80-F84 VanDerWaalsContact O-N 3.09Å; L82-F84 VanDerWaalsContact C-N 3.27Å; L82-F84 PolarHBondContact O-N 2.8Å; F84-H86 PolarHBondContact O-N 3.16Å; F84-V87 HydrophobicContact CD2-CB 4.19Å; F84-V87 HydrophobicContact CD2-CG1 4.4Å; F84-V87 HydrophobicContact CE2-CG1 4.31Å; F84-V87 WeakPolarHBondContact O-CB 3.37Å; F84-V87 PolarHBondContact O-N 2.97Å; F84-V87 VanDerWaalsContact O-N 3.16Å; F84-L88 HydrophobicContact CD1-CB 4.42Å; F84-L88 HydrophobicContact CE1-CB 4.14Å; F84-L88 HydrophobicContact CE1-CD2 4.31Å; F84-L88 WeakPolarHBondContact O-CB 3.33Å; F84-L88 PolarHBondContact O-N 3.04Å; F84-F115 HydrophobicContact CD2-CD2 4.48Å; F84-F115 HydrophobicContact CD2-CE1 4.17Å; F84-F115 AromaticContact CD2-CE2 3.65Å; F84-F115 HydrophobicContact CD2-CE2 3.65Å; F84-F115 AromaticContact CD2-CZ 3.45Å; F84-F115 HydrophobicContact CD2-CZ 3.45Å; F84-F115 VanDerWaalsContact CD2-CZ 3.45Å; F84-F115 HydrophobicContact CE2-CD1 4.49Å; F84-F115 AromaticContact CE2-CE1 3.86Å; F84-F115 HydrophobicContact CE2-CE1 3.86Å; F84-F115 HydrophobicContact CE2-CE2 4.06Å; F84-F115 AromaticContact CE2-CZ 3.63Å; F84-F115 HydrophobicContact CE2-CZ 3.63Å
85R97.6Very high97.1Very high154 Ų15451.7 Ų51.758%0.58125%0.246SC*.Hα-helixtrans-53-42.2173-179.7179.4173.7171.4-1.3112.1Y42 L82 L83 N89Y42-R85 HydrophobicContact CE1-CB 4.3Å; Y42-R85 PolarHBondContact OH-N 3.43Å; L82-R85 WeakPolarHBondContact O-CB 3.44Å; L82-R85 PolarHBondContact O-N 2.68Å; L83-R85 PolarHBondContact O-N 2.93Å; L83-R85 VanDerWaalsContact O-N 3.11Å; R85-N89 WeakPolarHBondContact O-CB 3.36Å; R85-N89 VanDerWaalsContact O-CG 3.28Å; R85-N89 PolarHBondContact O-N 3.36Å
86H98.1Very high97Very high27 Ų2749.7 Ų49.713%0.12524%0.24CC..Hα-helixtrans-72.3-39.2-179.1-61.3-64.4000111.4L83 F84 N89 F90 L98 F102 L108L83-H86 WeakPolarHBondContact O-CB 3.48Å; L83-H86 PolarHBondContact O-N 3.4Å; F84-H86 PolarHBondContact O-N 3.16Å; H86-N89 PolarHBondContact O-N 3.11Å; H86-F90 PolarHBondContact O-N 3.08Å; H86-L98 HydrophobicContact CB-CD2 4.07Å; H86-L98 WeakPolarHBondContact ND1-CD2 3.47Å; H86-F102 AromaticContact CD2-CE2 3.94Å; H86-F102 AromaticContact NE2-CE2 3.6Å; H86-L108 HydrophobicContact CB-CD1 3.82Å; H86-L108 HydrophobicContact CB-CD2 4.19Å
87V98.2Very high96.8Very high0 Ų051 Ų510%025%0.249CC..Hα-helixtrans-58.3-49.2172.2179.60000110.3F84 N89 F90 L91 L108 E111 F115 L117 L120F84-V87 HydrophobicContact CD2-CB 4.19Å; F84-V87 HydrophobicContact CD2-CG1 4.4Å; F84-V87 HydrophobicContact CE2-CG1 4.31Å; F84-V87 WeakPolarHBondContact O-CB 3.37Å; F84-V87 PolarHBondContact O-N 2.97Å; F84-V87 VanDerWaalsContact O-N 3.16Å; V87-N89 PolarHBondContact O-N 2.99Å; V87-F90 WeakPolarHBondContact O-CB 3.45Å; V87-F90 PolarHBondContact O-N 3.37Å; V87-L91 WeakPolarHBondContact O-CG 3.44Å; V87-L91 PolarHBondContact O-N 3.26Å; V87-L108 HydrophobicContact CG2-CD1 4.19Å; V87-E111 HydrophobicContact CG2-CB 4.25Å; V87-F115 HydrophobicContact CG1-CD2 3.95Å; V87-F115 HydrophobicContact CG1-CG 4.32Å; V87-F115 HydrophobicContact CG2-CD2 4.09Å; V87-F115 HydrophobicContact CG2-CE2 4.36Å; V87-L117 HydrophobicContact CG1-CD1 3.55Å; V87-L120 HydrophobicContact CB-CD2 4.38Å; V87-L120 HydrophobicContact CG1-CD2 4.3Å; V87-L120 HydrophobicContact CG2-CD2 4.07Å
88L98.1Very high96.6Very high1 Ų152.2 Ų52.21%0.00526%0.256CS..Hα-helixtrans-64.8-39-179.6-175.858.3000112.6Y42 T44 T48 L49 F84 F90 L91 R92Y42-L88 HydrophobicContact CD1-CD2 3.62Å; Y42-L88 HydrophobicContact CE1-CD2 4.4Å; Y42-L88 HydrophobicContact CG-CD2 4.24Å; T44-L88 HydrophobicContact CG2-CD1 4.02Å; T48-L88 HydrophobicContact CG2-CD1 4.04Å; L49-L88 HydrophobicContact CD2-CD1 4.47Å; F84-L88 HydrophobicContact CD1-CB 4.42Å; F84-L88 HydrophobicContact CE1-CB 4.14Å; F84-L88 HydrophobicContact CE1-CD2 4.31Å; F84-L88 WeakPolarHBondContact O-CB 3.33Å; F84-L88 PolarHBondContact O-N 3.04Å; L88-F90 VanDerWaalsContact C-N 3.34Å; L88-L91 HydrophobicContact CD1-CD1 4.5Å; L88-L91 PolarHBondContact O-N 3.45Å; L88-R92 WeakPolarHBondContact O-CG 3.48Å; L88-R92 PolarHBondContact O-N 3.23Å
89N97.8Very high96.2Very high42 Ų4249.6 Ų49.623%0.22525%0.246CC..Hα-helixtrans-65.6-38174.7-76.7-13.5000112.2R85 H86 V87 L91 R92 N93R85-N89 WeakPolarHBondContact O-CB 3.36Å; R85-N89 VanDerWaalsContact O-CG 3.28Å; R85-N89 PolarHBondContact O-N 3.36Å; H86-N89 PolarHBondContact O-N 3.11Å; V87-N89 PolarHBondContact O-N 2.99Å; N89-L91 VanDerWaalsContact C-N 3.35Å; N89-R92 PolarHBondContact O-N 3.44Å; N89-R92 PolarHBondContact OD1-NH1 3.09Å; N89-N93 PolarHBondContact O-N 3.38Å
90F97.8Very high95.3Very high3 Ų355.8 Ų55.81%0.01328%0.278CS..Hα-helixtrans-61.3-44.2172.1179.6-92.3000111.3Y52 H86 V87 L88 R92 N93 G94 L96 V119 L120Y52-F90 HydrophobicContact CE1-CE1 4.05Å; Y52-F90 HydrophobicContact CE1-CZ 4.5Å; Y52-F90 HydrophobicContact CE2-CD1 4.22Å; Y52-F90 AromaticContact CE2-CE1 3.84Å; Y52-F90 HydrophobicContact CE2-CE1 3.84Å; Y52-F90 AromaticContact CZ-CE1 3.48Å; Y52-F90 VanDerWaalsContact CZ-CE1 3.48Å; Y52-F90 WeakPolarHBondContact OH-CE1 3.41Å; H86-F90 PolarHBondContact O-N 3.08Å; V87-F90 WeakPolarHBondContact O-CB 3.45Å; V87-F90 PolarHBondContact O-N 3.37Å; L88-F90 VanDerWaalsContact C-N 3.34Å; F90-R92 VanDerWaalsContact C-N 3.28Å; F90-R92 PolarHBondContact O-N 3.22Å; F90-N93 PolarHBondContact O-N 3.11Å; F90-G94 VanDerWaalsContact O-CA 3.26Å; F90-G94 WeakPolarHBondContact O-CA 3.39Å; F90-G94 PolarHBondContact O-N 3.01Å; F90-L96 HydrophobicContact CD2-CB 4.46Å; F90-V119 HydrophobicContact CZ-CB 4.07Å; F90-V119 HydrophobicContact CZ-CG1 3.89Å; F90-L120 HydrophobicContact CB-CD1 4.02Å; F90-L120 HydrophobicContact CB-CD2 4.34Å; F90-L120 HydrophobicContact CD1-CB 3.84Å; F90-L120 HydrophobicContact CD1-CD1 4.28Å; F90-L120 HydrophobicContact CD1-CD2 4.29Å; F90-L120 HydrophobicContact CD1-CG 4.35Å; F90-L120 HydrophobicContact CD2-CB 4.36Å; F90-L120 HydrophobicContact CD2-CD1 3.64Å; F90-L120 HydrophobicContact CE1-CB 3.74Å; F90-L120 HydrophobicContact CE2-CB 4.27Å; F90-L120 HydrophobicContact CE2-CD1 4.16Å; F90-L120 HydrophobicContact CG-CB 4.16Å; F90-L120 HydrophobicContact CG-CD1 3.71Å; F90-L120 HydrophobicContact CG-CD2 4.31Å; F90-L120 HydrophobicContact CG-CG 4.26Å; F90-L120 HydrophobicContact CZ-CB 3.97Å
91L96.9Very high94.3Very high1 Ų155.6 Ų55.61%0.00529%0.29CS..Hα-helixtrans-59.9-38.5175.1-65.3173.8000112.1T48 L49 K51 Y52 L57 V87 L88 N89 L117T48-L91 HydrophobicContact CG2-CB 3.72Å; L49-L91 HydrophobicContact CD2-CD1 4.31Å; K51-L91 WeakPolarHBondContact CD-O 3.45Å; K51-L91 PolarHBondContact NZ-O 3.28Å; Y52-L91 HydrophobicContact CD2-CD2 3.43Å; Y52-L91 VanDerWaalsContact CD2-CD2 3.43Å; Y52-L91 HydrophobicContact CE2-CD2 3.86Å; Y52-L91 HydrophobicContact CG-CD2 4.46Å; L57-L91 HydrophobicContact CD1-CD1 3.55Å; V87-L91 WeakPolarHBondContact O-CG 3.44Å; V87-L91 PolarHBondContact O-N 3.26Å; L88-L91 HydrophobicContact CD1-CD1 4.5Å; L88-L91 PolarHBondContact O-N 3.45Å; N89-L91 VanDerWaalsContact C-N 3.35Å; L91-L117 HydrophobicContact CD2-CD1 3.98Å; L91-L117 HydrophobicContact CD2-CD2 3.83Å; L91-L117 HydrophobicContact CG-CD1 4.42Å
92R96.4Very high93.9Very high108 Ų10856.6 Ų56.641%0.40829%0.294SS..Hα-helixtrans-67.2-55.8177.1-69.9167.8178.3161.4-4.7111.4I43 T48 K51 L88 N89 F90I43-R92 PolarHBondContact O-NH2 2.81Å; T48-R92 HydrophobicContact CG2-CG 3.69Å; K51-R92 PolarHBondContact NZ-O 2.95Å; L88-R92 WeakPolarHBondContact O-CG 3.48Å; L88-R92 PolarHBondContact O-N 3.23Å; N89-R92 PolarHBondContact O-N 3.44Å; N89-R92 PolarHBondContact OD1-NH1 3.09Å; F90-R92 VanDerWaalsContact C-N 3.28Å; F90-R92 PolarHBondContact O-N 3.22Å
93N94.8Very high93.4Very high91 Ų9162.4 Ų62.449%0.48731%0.309SS..Hα-helixtrans-90.2-28.9-165.5-57.5-10.2000112.7N89 F90 E95N89-N93 PolarHBondContact O-N 3.38Å; F90-N93 PolarHBondContact O-N 3.11Å; N93-E95 VanDerWaalsContact C-N 3.32Å; N93-E95 HydrophobicContact CB-CG 3.94Å
94G93.1Very high93.3Very high31 Ų3166.8 Ų66.832%0.3233%0.329SS..SBendtrans83.36.4-173.600000114.3Y52 F90Y52-G94 WeakPolarHBondContact OH-CA 3.44Å; F90-G94 VanDerWaalsContact O-CA 3.26Å; F90-G94 WeakPolarHBondContact O-CA 3.39Å; F90-G94 PolarHBondContact O-N 3.01Å
95E94.1Very high93Very high109 Ų10967 Ų6751%0.50933%0.33SS..SBendtrans-135.6152.1-178.956174-173.500111.6N93 L97N93-E95 VanDerWaalsContact C-N 3.32Å; N93-E95 HydrophobicContact CB-CG 3.94Å; E95-L97 HydrophobicContact CG-CD1 4.35Å; E95-L97 HydrophobicContact CG-CD2 4.23Å; E95-L97 HydrophobicContact CG-CG 4.04Å; E95-L97 PolarHBondContact O-N 3.26Å
96L95.6Very high92.8Very high33 Ų3366.1 Ų66.117%0.17333%0.332CS..  trans-83.9102.5179.8178.462.5000110.2F90 L98 L108 L120 A123 V124 R127F90-L96 HydrophobicContact CD2-CB 4.46Å; L96-L98 HydrophobicContact CD1-CD1 3.94Å; L96-L98 HydrophobicContact CD1-CD2 3.92Å; L96-L98 HydrophobicContact CD1-CG 3.77Å; L96-L98 HydrophobicContact CD2-CD1 4.16Å; L96-L98 HydrophobicContact CG-CD1 4.08Å; L96-L98 HydrophobicContact CG-CG 4.05Å; L96-L108 HydrophobicContact CD1-CD2 4.1Å; L96-L120 HydrophobicContact CD1-CD1 3.77Å; L96-A123 HydrophobicContact CB-CB 4.17Å; L96-A123 HydrophobicContact CD2-CB 4.2Å; L96-V124 HydrophobicContact CD1-CG2 4.18Å; L96-V124 HydrophobicContact CD2-CB 4.29Å; L96-V124 HydrophobicContact CD2-CG2 3.68Å; L96-R127 HydrophobicContact CD2-CB 4.36Å
97L93.2Very high92.7Very high91 Ų9168.4 Ų68.448%0.47635%0.345SS..  trans-109.3113.7175.1-58.9179000110.4E95E95-L97 HydrophobicContact CG-CD1 4.35Å; E95-L97 HydrophobicContact CG-CD2 4.23Å; E95-L97 HydrophobicContact CG-CG 4.04Å; E95-L97 PolarHBondContact O-N 3.26Å
98L93.1Very high92.7Very high32 Ų3268.4 Ų68.417%0.16835%0.345CS..  trans-121.3146.1-179.9-61.3176.5000110.5H86 L96 F102 L108H86-L98 HydrophobicContact CB-CD2 4.07Å; H86-L98 WeakPolarHBondContact ND1-CD2 3.47Å; L96-L98 HydrophobicContact CD1-CD1 3.94Å; L96-L98 HydrophobicContact CD1-CD2 3.92Å; L96-L98 HydrophobicContact CD1-CG 3.77Å; L96-L98 HydrophobicContact CD2-CD1 4.16Å; L96-L98 HydrophobicContact CG-CD1 4.08Å; L96-L98 HydrophobicContact CG-CG 4.05Å; L98-F102 HydrophobicContact CB-CB 4.09Å; L98-F102 HydrophobicContact CB-CD1 4.47Å; L98-F102 HydrophobicContact CB-CG 4.2Å; L98-F102 HydrophobicContact CD1-CD1 3.65Å; L98-F102 HydrophobicContact CD1-CE1 3.95Å; L98-F102 HydrophobicContact CD1-CG 4.22Å; L98-F102 HydrophobicContact CD2-CD1 4.39Å; L98-F102 HydrophobicContact CD2-CD2 4.5Å; L98-F102 HydrophobicContact CD2-CE1 4.33Å; L98-F102 HydrophobicContact CD2-CE2 4.47Å; L98-F102 HydrophobicContact CD2-CG 4.45Å; L98-F102 HydrophobicContact CD2-CZ 4.37Å; L98-F102 HydrophobicContact CG-CD1 4.39Å; L98-L108 HydrophobicContact CD1-CD2 4.02Å; L98-L108 HydrophobicContact CD2-CD2 3.69Å; L98-L108 HydrophobicContact CG-CD2 4.47Å
99P90.1Very high92.6Very high76 Ų7669 Ų6949%0.49435%0.351SS..  trans-56.7153173.1-23.233.3000112.4G101 F102P99-G101 PolarHBondContact O-N 2.96Å; P99-F102 WeakPolarHBondContact O-CB 3.31Å; P99-F102 PolarHBondContact O-N 3.24Å
100E78.4Confident92.6Very high204 Ų20472.4 Ų72.495%0.95337%0.365SS*.THydrogen-bonded Turntrans-58132171.5-169.3179.2176.400110.2F102E100-F102 VanDerWaalsContact C-N 3.35Å; E100-F102 PolarHBondContact O-N 3.18Å
101G77.6Confident92.6Very high55 Ų5572.7 Ų72.757%0.56737%0.367SS*.THydrogen-bonded Turntrans76.214.6-179.700000115.5P99 R103P99-G101 PolarHBondContact O-N 2.96Å; G101-R103 WeakPolarHBondContact O-CG 3.39Å; G101-R103 PolarHBondContact O-N 2.84Å
102F88.9Confident92.6Very high23 Ų2372.7 Ų72.710%0.10137%0.366CS..  trans-55.3125.4173.1-176.4-95.9000112L83 H86 L98 P99 E100 E104 N105 L108L83-F102 HydrophobicContact CD2-CE2 4.47Å; L83-F102 HydrophobicContact CD2-CZ 4.06Å; H86-F102 AromaticContact CD2-CE2 3.94Å; H86-F102 AromaticContact NE2-CE2 3.6Å; L98-F102 HydrophobicContact CB-CB 4.09Å; L98-F102 HydrophobicContact CB-CD1 4.47Å; L98-F102 HydrophobicContact CB-CG 4.2Å; L98-F102 HydrophobicContact CD1-CD1 3.65Å; L98-F102 HydrophobicContact CD1-CE1 3.95Å; L98-F102 HydrophobicContact CD1-CG 4.22Å; L98-F102 HydrophobicContact CD2-CD1 4.39Å; L98-F102 HydrophobicContact CD2-CD2 4.5Å; L98-F102 HydrophobicContact CD2-CE1 4.33Å; L98-F102 HydrophobicContact CD2-CE2 4.47Å; L98-F102 HydrophobicContact CD2-CG 4.45Å; L98-F102 HydrophobicContact CD2-CZ 4.37Å; L98-F102 HydrophobicContact CG-CD1 4.39Å; P99-F102 WeakPolarHBondContact O-CB 3.31Å; P99-F102 PolarHBondContact O-N 3.24Å; E100-F102 VanDerWaalsContact C-N 3.35Å; E100-F102 PolarHBondContact O-N 3.18Å; F102-E104 VanDerWaalsContact CE1-C 3.42Å; F102-E104 HydrophobicContact CE1-CB 4.05Å; F102-E104 HydrophobicContact CE2-CB 4.2Å; F102-E104 HydrophobicContact CZ-CB 3.69Å; F102-N105 PolarHBondContact O-ND2 3.16Å; F102-L108 HydrophobicContact CE1-CB 4.28Å; F102-L108 HydrophobicContact CE1-CD2 4.09Å; F102-L108 HydrophobicContact CZ-CB 4.25Å; F102-L108 HydrophobicContact CZ-CD2 4.16Å
103R86.7Confident92.7Very high226 Ų22671.6 Ų71.685%0.85337%0.369SS*.  trans-111-8.5-171.8-54-166.7178.8178.6-1.4114.7G101 N105G101-R103 WeakPolarHBondContact O-CG 3.39Å; G101-R103 PolarHBondContact O-N 2.84Å; R103-N105 VanDerWaalsContact C-N 3.29Å; R103-N105 PolarHBondContact O-N 3.2Å
104E93.8Very high92.8Very high96 Ų9670.8 Ų70.845%0.44936%0.361SS..  trans-95.431.6-170.7-63.6173.7106.900112.1L83 F102 Q106 L107 L108L83-E104 HydrophobicContact CD2-CB 4.17Å; F102-E104 VanDerWaalsContact CE1-C 3.42Å; F102-E104 HydrophobicContact CE1-CB 4.05Å; F102-E104 HydrophobicContact CE2-CB 4.2Å; F102-E104 HydrophobicContact CZ-CB 3.69Å; E104-Q106 VanDerWaalsContact C-N 3.26Å; E104-Q106 PolarHBondContact O-N 2.98Å; E104-L107 HydrophobicContact CB-CB 4.39Å; E104-L107 HydrophobicContact CB-CD1 4.21Å; E104-L107 HydrophobicContact CG-CD1 4.2Å; E104-L107 PolarHBondContact O-N 3.24Å; E104-L107 VanDerWaalsContact O-N 3.11Å; E104-L108 PolarHBondContact O-N 3.3Å
105N93.1Very high93Very high3 Ų369.3 Ų69.32%0.01635%0.346CS..Hα-helixtrans-56.5-38.9-176.4-66.9-79.2000112.6F102 R103 A109 V124 R127 W128F102-N105 PolarHBondContact O-ND2 3.16Å; R103-N105 VanDerWaalsContact C-N 3.29Å; R103-N105 PolarHBondContact O-N 3.2Å; N105-A109 WeakPolarHBondContact O-CB 3.2Å; N105-A109 PolarHBondContact O-N 2.91Å; N105-V124 HydrophobicContact CB-CG1 4.34Å; N105-V124 VanDerWaalsContact O-CG1 3.31Å; N105-V124 WeakPolarHBondContact O-CG1 3.49Å; N105-R127 PolarHBondContact OD1-NH1 2.95Å; N105-W128 HydrophobicContact CB-CD2 4.16Å; N105-W128 HydrophobicContact CB-CE3 3.46Å; N105-W128 VanDerWaalsContact CB-CE3 3.46Å; N105-W128 HydrophobicContact CB-CZ3 3.89Å; N105-W128 VanDerWaalsContact ND2-CE3 3.3Å; N105-W128 VanDerWaalsContact ND2-CZ3 3.32Å; N105-W128 WeakPolarHBondContact ND2-CZ3 3.14Å
106Q92.6Very high93.2Very high136 Ų13669.5 Ų69.564%0.63635%0.347SS*.Hα-helixtrans-66.9-41.9178-69.1-178.4-17.900112.3E104 A109 Q110E104-Q106 VanDerWaalsContact C-N 3.26Å; E104-Q106 PolarHBondContact O-N 2.98Å; Q106-A109 PolarHBondContact O-N 3.23Å; Q106-Q110 WeakPolarHBondContact O-CG 2.89Å; Q106-Q110 PolarHBondContact O-N 3.41Å; Q106-Q110 VanDerWaalsContact O-N 3.17Å
107L96.3Very high93.3Very high75 Ų7568.1 Ų68.139%0.39334%0.34SS..Hα-helixtrans-67.7-43.4177.9-59.9175.3000110.5L83 E104 A109 Q110 E111L83-L107 HydrophobicContact CD1-CB 3.46Å; L83-L107 VanDerWaalsContact CD1-CB 3.46Å; L83-L107 HydrophobicContact CD1-CD1 4.47Å; E104-L107 HydrophobicContact CB-CB 4.39Å; E104-L107 HydrophobicContact CB-CD1 4.21Å; E104-L107 HydrophobicContact CG-CD1 4.2Å; E104-L107 PolarHBondContact O-N 3.24Å; E104-L107 VanDerWaalsContact O-N 3.11Å; L107-A109 VanDerWaalsContact C-N 3.29Å; L107-A109 PolarHBondContact O-N 3.5Å; L107-Q110 WeakPolarHBondContact O-CB 3.38Å; L107-Q110 PolarHBondContact O-N 3.37Å; L107-Q110 VanDerWaalsContact O-N 3.1Å; L107-E111 PolarHBondContact O-N 3.42Å
108L97.6Very high93.3Very high0 Ų071.2 Ų71.20%035%0.349CS..Hα-helixtrans-62.2-36.1175.8-176.860.9000112.4H86 V87 L96 L98 F102 E104 Q110 E111 A112 V124H86-L108 HydrophobicContact CB-CD1 3.82Å; H86-L108 HydrophobicContact CB-CD2 4.19Å; V87-L108 HydrophobicContact CG2-CD1 4.19Å; L96-L108 HydrophobicContact CD1-CD2 4.1Å; L98-L108 HydrophobicContact CD1-CD2 4.02Å; L98-L108 HydrophobicContact CD2-CD2 3.69Å; L98-L108 HydrophobicContact CG-CD2 4.47Å; F102-L108 HydrophobicContact CE1-CB 4.28Å; F102-L108 HydrophobicContact CE1-CD2 4.09Å; F102-L108 HydrophobicContact CZ-CB 4.25Å; F102-L108 HydrophobicContact CZ-CD2 4.16Å; E104-L108 PolarHBondContact O-N 3.3Å; L108-Q110 VanDerWaalsContact C-N 3.33Å; L108-E111 PolarHBondContact O-N 2.58Å; L108-A112 WeakPolarHBondContact O-CB 3.46Å; L108-A112 PolarHBondContact O-N 2.99Å; L108-V124 HydrophobicContact CD2-CG2 3.95Å; L108-V124 HydrophobicContact CG-CG2 4.06Å
109A96.4Very high93.5Very high15 Ų1573.7 Ų73.712%0.12437%0.365CS..Hα-helixtrans-63-40.3174.100000111.8N105 Q106 L107 A112 D113 V124N105-A109 WeakPolarHBondContact O-CB 3.2Å; N105-A109 PolarHBondContact O-N 2.91Å; Q106-A109 PolarHBondContact O-N 3.23Å; L107-A109 VanDerWaalsContact C-N 3.29Å; L107-A109 PolarHBondContact O-N 3.5Å; A109-A112 PolarHBondContact O-N 3.22Å; A109-D113 PolarHBondContact O-N 3.3Å; A109-V124 HydrophobicContact CB-CG1 3.96Å
110Q97.3Very high93.8Very high113 Ų11370 Ų7053%0.52834%0.342SS..Hα-helixtrans-64.3-40.3175.4-69.2177.6-1.200112.1Q106 L107 L108 D113 F114Q106-Q110 WeakPolarHBondContact O-CG 2.89Å; Q106-Q110 PolarHBondContact O-N 3.41Å; Q106-Q110 VanDerWaalsContact O-N 3.17Å; L107-Q110 WeakPolarHBondContact O-CB 3.38Å; L107-Q110 PolarHBondContact O-N 3.37Å; L107-Q110 VanDerWaalsContact O-N 3.1Å; L108-Q110 VanDerWaalsContact C-N 3.33Å; Q110-D113 PolarHBondContact O-N 2.95Å; Q110-F114 WeakPolarHBondContact O-CB 3.26Å; Q110-F114 PolarHBondContact O-N 3.39Å
111E98.1Very high94.6Very high9 Ų960.4 Ų60.44%0.04230%0.297CS..Hα-helixtrans-64.3-43.6173.4-64.1-47.9129.900111.5R79 L83 V87 L107 L108 D113 F114 F115R79-E111 IonicContact CZ-OE1 3.42Å; R79-E111 IonicContact CZ-OE2 3.65Å; R79-E111 IonicContact NE-OE1 3.43Å; R79-E111 PolarHBondContact NE-OE1 3.34Å; R79-E111 IonicContact NE-OE2 2.92Å; R79-E111 PolarHBondContact NE-OE2 3.01Å; R79-E111 IonicContact NH2-OE1 2.69Å; R79-E111 PolarHBondContact NH2-OE1 3.31Å; R79-E111 IonicContact NH2-OE2 3.5Å; R79-E111 PolarHBondContact NH2-OE2 3.26Å; L83-E111 HydrophobicContact CB-CG 3.98Å; L83-E111 HydrophobicContact CD1-CG 4.09Å; V87-E111 HydrophobicContact CG2-CB 4.25Å; L107-E111 PolarHBondContact O-N 3.42Å; L108-E111 PolarHBondContact O-N 2.58Å; E111-D113 VanDerWaalsContact C-N 3.27Å; E111-D113 PolarHBondContact O-N 3.03Å; E111-F114 PolarHBondContact O-N 2.96Å; E111-F115 HydrophobicContact CB-CD2 4.35Å; E111-F115 HydrophobicContact CB-CE2 4.29Å; E111-F115 WeakPolarHBondContact O-CD2 3.31Å; E111-F115 PolarHBondContact O-N 3.45Å
112A97.6Very high95.5Very high0 Ų061.6 Ų61.60%029%0.29CS..Hα-helixtrans-58.6-40.6176.800000112.4L108 A109 Q116 L117 L120L108-A112 WeakPolarHBondContact O-CB 3.46Å; L108-A112 PolarHBondContact O-N 2.99Å; A109-A112 PolarHBondContact O-N 3.22Å; A112-Q116 PolarHBondContact O-N 3.2Å; A112-L117 PolarHBondContact O-N 2.92Å; A112-L120 HydrophobicContact CB-CB 4.1Å; A112-L120 HydrophobicContact CB-CD2 3.76Å; A112-L120 HydrophobicContact CB-CG 3.64Å
113D97.6Very high95.8Very high85 Ų8562 Ų6246%0.45530%0.298SS..Hα-helixtrans-67.6-42.8175.8-70.6-18000111.4A109 Q110 E111 F115 Q116 S121A109-D113 PolarHBondContact O-N 3.3Å; Q110-D113 PolarHBondContact O-N 2.95Å; E111-D113 VanDerWaalsContact C-N 3.27Å; E111-D113 PolarHBondContact O-N 3.03Å; D113-F115 PolarHBondContact O-N 2.97Å; D113-Q116 PolarHBondContact O-N 2.92Å; D113-Q116 VanDerWaalsContact O-N 3.08Å; D113-S121 WeakPolarHBondContact OD1-CB 3.32Å; D113-S121 PolarHBondContact OD1-OG 3.03Å
114F97.9Very high96.2Very high75 Ų7551.4 Ų51.433%0.32926%0.258SS..Hα-helixtrans-59-47.2175.5174.8-91.3000112F56 I77 R79 Q110 E111 Q116F56-F114 HydrophobicContact CD1-CE1 4.46Å; F56-F114 HydrophobicContact CE1-CE1 4.38Å; F56-F114 HydrophobicContact CE2-CZ 4.49Å; F56-F114 HydrophobicContact CZ-CZ 4.44Å; I77-F114 HydrophobicContact CG2-CE1 4.13Å; R79-F114 HydrophobicContact CG-CD1 3.62Å; R79-F114 HydrophobicContact CG-CE1 3.35Å; R79-F114 HydrophobicContact CG-CE2 4.28Å; R79-F114 HydrophobicContact CG-CG 4.22Å; R79-F114 HydrophobicContact CG-CZ 3.71Å; Q110-F114 WeakPolarHBondContact O-CB 3.26Å; Q110-F114 PolarHBondContact O-N 3.39Å; E111-F114 PolarHBondContact O-N 2.96Å; F114-Q116 PolarHBondContact O-N 3.23Å; F114-Q116 VanDerWaalsContact O-N 3.16Å
115F97.9Very high96.1Very high0 Ų051.3 Ų51.30%026%0.257CS..THydrogen-bonded Turntrans-74.51.4178.4-68.6-65.8000113.5F56 L57 I77 R79 F84 V87 E111 D113 L117F56-F115 HydrophobicContact CB-CD1 4.49Å; F56-F115 AromaticContact CD1-CD1 3.96Å; F56-F115 HydrophobicContact CD1-CD1 3.96Å; F56-F115 HydrophobicContact CD1-CE1 4.27Å; F56-F115 PolarHBondContact N-O 3.34Å; L57-F115 HydrophobicContact CD1-CD1 4.15Å; L57-F115 HydrophobicContact CD2-CD1 4.18Å; L57-F115 HydrophobicContact CD2-CE1 4.17Å; L57-F115 HydrophobicContact CG-CD1 3.96Å; L57-F115 HydrophobicContact CG-CE1 4.44Å; I77-F115 HydrophobicContact CD1-CE1 4.29Å; I77-F115 HydrophobicContact CG2-CE1 4.03Å; I77-F115 HydrophobicContact CG2-CZ 4.13Å; R79-F115 HydrophobicContact CB-CZ 4.3Å; R79-F115 HydrophobicContact CG-CZ 4.2Å; F84-F115 HydrophobicContact CD2-CD2 4.48Å; F84-F115 HydrophobicContact CD2-CE1 4.17Å; F84-F115 AromaticContact CD2-CE2 3.65Å; F84-F115 HydrophobicContact CD2-CE2 3.65Å; F84-F115 AromaticContact CD2-CZ 3.45Å; F84-F115 HydrophobicContact CD2-CZ 3.45Å; F84-F115 VanDerWaalsContact CD2-CZ 3.45Å; F84-F115 HydrophobicContact CE2-CD1 4.49Å; F84-F115 AromaticContact CE2-CE1 3.86Å; F84-F115 HydrophobicContact CE2-CE1 3.86Å; F84-F115 HydrophobicContact CE2-CE2 4.06Å; F84-F115 AromaticContact CE2-CZ 3.63Å; F84-F115 HydrophobicContact CE2-CZ 3.63Å; V87-F115 HydrophobicContact CG1-CD2 3.95Å; V87-F115 HydrophobicContact CG1-CG 4.32Å; V87-F115 HydrophobicContact CG2-CD2 4.09Å; V87-F115 HydrophobicContact CG2-CE2 4.36Å; E111-F115 HydrophobicContact CB-CD2 4.35Å; E111-F115 HydrophobicContact CB-CE2 4.29Å; E111-F115 WeakPolarHBondContact O-CD2 3.31Å; E111-F115 PolarHBondContact O-N 3.45Å; D113-F115 PolarHBondContact O-N 2.97Å; F115-L117 HydrophobicContact CB-CD1 3.93Å; F115-L117 HydrophobicContact CB-CG 4.11Å; F115-L117 PolarHBondContact O-N 3.34Å
116Q97.6Very high96Very high113 Ų11353.4 Ų53.453%0.52827%0.271SS..THydrogen-bonded Turntrans58.832.5-179.5-58.2175.7-16.800112.7D54 A112 D113 F114 K118D54-Q116 PolarHBondContact O-OE1 3.06Å; A112-Q116 PolarHBondContact O-N 3.2Å; D113-Q116 PolarHBondContact O-N 2.92Å; D113-Q116 VanDerWaalsContact O-N 3.08Å; F114-Q116 PolarHBondContact O-N 3.23Å; F114-Q116 VanDerWaalsContact O-N 3.16Å; Q116-K118 PolarHBondContact O-N 3.07Å
117L97.2Very high95.9Very high4 Ų449.6 Ų49.62%0.02125%0.251CS..  trans-95.176.8179.4-68.1169.6000110Y52 V87 L91 A112 F115 V119 L120 S121Y52-L117 HydrophobicContact CD2-CD2 4.12Å; Y52-L117 HydrophobicContact CG-CD2 3.94Å; V87-L117 HydrophobicContact CG1-CD1 3.55Å; L91-L117 HydrophobicContact CD2-CD1 3.98Å; L91-L117 HydrophobicContact CD2-CD2 3.83Å; L91-L117 HydrophobicContact CG-CD1 4.42Å; A112-L117 PolarHBondContact O-N 2.92Å; F115-L117 HydrophobicContact CB-CD1 3.93Å; F115-L117 HydrophobicContact CB-CG 4.11Å; F115-L117 PolarHBondContact O-N 3.34Å; L117-V119 VanDerWaalsContact C-N 3.27Å; L117-V119 PolarHBondContact O-N 2.76Å; L117-L120 HydrophobicContact CB-CB 3.87Å; L117-L120 HydrophobicContact CB-CD2 4.44Å; L117-L120 HydrophobicContact CD1-CD2 4.16Å; L117-L120 WeakPolarHBondContact O-CB 3.43Å; L117-L120 PolarHBondContact O-N 3.31Å; L117-S121 PolarHBondContact O-N 2.86Å
118K94.6Very high95.4Very high155 Ų15550.3 Ų50.367%0.67425%0.248SC*.Hα-helixtrans-53-43.6-177.5-172176.4180-178.60113Q116 L120 S121 D122Q116-K118 PolarHBondContact O-N 3.07Å; K118-L120 VanDerWaalsContact C-N 3.28Å; K118-L120 PolarHBondContact O-N 3.35Å; K118-S121 WeakPolarHBondContact O-CB 3.33Å; K118-S121 PolarHBondContact O-N 3.18Å; K118-D122 WeakPolarHBondContact O-CB 3.34Å; K118-D122 VanDerWaalsContact O-CG 3.29Å; K118-D122 PolarHBondContact O-N 2.97Å
119V95.8Very high94.8Very high84 Ų8456.6 Ų56.651%0.50928%0.278SS..Hα-helixtrans-61.2-37.6179.2-1710000111.7Y52 F90 L117 A123Y52-V119 HydrophobicContact CD1-CG2 4.5Å; Y52-V119 HydrophobicContact CE1-CB 4.33Å; Y52-V119 HydrophobicContact CE1-CG2 4.23Å; F90-V119 HydrophobicContact CZ-CB 4.07Å; F90-V119 HydrophobicContact CZ-CG1 3.89Å; L117-V119 VanDerWaalsContact C-N 3.27Å; L117-V119 PolarHBondContact O-N 2.76Å; V119-A123 VanDerWaalsContact O-CB 3.31Å; V119-A123 WeakPolarHBondContact O-CB 3.4Å; V119-A123 PolarHBondContact O-N 3.03Å
120L96.6Very high94.1Very high0 Ų062.5 Ų62.50%030%0.301CS..Hα-helixtrans-70.6-45.4175.4175.758.9000111V87 F90 L96 A112 L117 K118 D122 A123 V124V87-L120 HydrophobicContact CB-CD2 4.38Å; V87-L120 HydrophobicContact CG1-CD2 4.3Å; V87-L120 HydrophobicContact CG2-CD2 4.07Å; F90-L120 HydrophobicContact CB-CD1 4.02Å; F90-L120 HydrophobicContact CB-CD2 4.34Å; F90-L120 HydrophobicContact CD1-CB 3.84Å; F90-L120 HydrophobicContact CD1-CD1 4.28Å; F90-L120 HydrophobicContact CD1-CD2 4.29Å; F90-L120 HydrophobicContact CD1-CG 4.35Å; F90-L120 HydrophobicContact CD2-CB 4.36Å; F90-L120 HydrophobicContact CD2-CD1 3.64Å; F90-L120 HydrophobicContact CE1-CB 3.74Å; F90-L120 HydrophobicContact CE2-CB 4.27Å; F90-L120 HydrophobicContact CE2-CD1 4.16Å; F90-L120 HydrophobicContact CG-CB 4.16Å; F90-L120 HydrophobicContact CG-CD1 3.71Å; F90-L120 HydrophobicContact CG-CD2 4.31Å; F90-L120 HydrophobicContact CG-CG 4.26Å; F90-L120 HydrophobicContact CZ-CB 3.97Å; L96-L120 HydrophobicContact CD1-CD1 3.77Å; A112-L120 HydrophobicContact CB-CB 4.1Å; A112-L120 HydrophobicContact CB-CD2 3.76Å; A112-L120 HydrophobicContact CB-CG 3.64Å; L117-L120 HydrophobicContact CB-CB 3.87Å; L117-L120 HydrophobicContact CB-CD2 4.44Å; L117-L120 HydrophobicContact CD1-CD2 4.16Å; L117-L120 WeakPolarHBondContact O-CB 3.43Å; L117-L120 PolarHBondContact O-N 3.31Å; K118-L120 VanDerWaalsContact C-N 3.28Å; K118-L120 PolarHBondContact O-N 3.35Å; L120-D122 VanDerWaalsContact C-N 3.31Å; L120-D122 PolarHBondContact O-N 3.42Å; L120-A123 PolarHBondContact O-N 3.37Å; L120-A123 VanDerWaalsContact O-N 3.17Å; L120-V124 HydrophobicContact CD1-CG2 4.02Å; L120-V124 HydrophobicContact CG-CG2 4.45Å; L120-V124 WeakPolarHBondContact O-CG2 3.37Å; L120-V124 PolarHBondContact O-N 2.9Å
121S96.1Very high93Very high2 Ų260.5 Ų60.51%0.01429%0.292CS..Hα-helixtrans-56-46.7177-176.20000111.3D113 L117 K118 V124 K125D113-S121 WeakPolarHBondContact OD1-CB 3.32Å; D113-S121 PolarHBondContact OD1-OG 3.03Å; L117-S121 PolarHBondContact O-N 2.86Å; K118-S121 WeakPolarHBondContact O-CB 3.33Å; K118-S121 PolarHBondContact O-N 3.18Å; S121-V124 PolarHBondContact O-N 2.89Å; S121-K125 WeakPolarHBondContact O-CG 3.42Å; S121-K125 PolarHBondContact O-N 3.4Å; S121-K125 PolarHBondContact OG-NZ 3.03Å
122D95.1Very high91.8Very high80 Ų8064.3 Ų64.343%0.42831%0.309SS..Hα-helixtrans-65.5-40177.6-66.9-19.6000111.7K118 L120 K125 S126K118-D122 WeakPolarHBondContact O-CB 3.34Å; K118-D122 VanDerWaalsContact O-CG 3.29Å; K118-D122 PolarHBondContact O-N 2.97Å; L120-D122 VanDerWaalsContact C-N 3.31Å; L120-D122 PolarHBondContact O-N 3.42Å; D122-K125 PolarHBondContact O-N 2.89Å; D122-S126 WeakPolarHBondContact O-CB 3.49Å; D122-S126 PolarHBondContact O-N 3.42Å
123A95.3Very high90.4Very high32 Ų3269 Ų6926%0.26433%0.334SS..Hα-helixtrans-63.6-42176.200000112.4L96 V119 L120 R127L96-A123 HydrophobicContact CB-CB 4.17Å; L96-A123 HydrophobicContact CD2-CB 4.2Å; V119-A123 VanDerWaalsContact O-CB 3.31Å; V119-A123 WeakPolarHBondContact O-CB 3.4Å; V119-A123 PolarHBondContact O-N 3.03Å; L120-A123 PolarHBondContact O-N 3.37Å; L120-A123 VanDerWaalsContact O-N 3.17Å; A123-R127 WeakPolarHBondContact O-CB 3.33Å; A123-R127 PolarHBondContact O-N 3.33Å
124V95.1Very high88.8Confident3 Ų367.6 Ų67.62%0.01833%0.334CS..Hα-helixtrans-64.6-45.1177175.50000110.5L96 N105 L108 A109 L120 S121 R127 W128L96-V124 HydrophobicContact CD1-CG2 4.18Å; L96-V124 HydrophobicContact CD2-CB 4.29Å; L96-V124 HydrophobicContact CD2-CG2 3.68Å; N105-V124 HydrophobicContact CB-CG1 4.34Å; N105-V124 VanDerWaalsContact O-CG1 3.31Å; N105-V124 WeakPolarHBondContact O-CG1 3.49Å; L108-V124 HydrophobicContact CD2-CG2 3.95Å; L108-V124 HydrophobicContact CG-CG2 4.06Å; A109-V124 HydrophobicContact CB-CG1 3.96Å; L120-V124 HydrophobicContact CD1-CG2 4.02Å; L120-V124 HydrophobicContact CG-CG2 4.45Å; L120-V124 WeakPolarHBondContact O-CG2 3.37Å; L120-V124 PolarHBondContact O-N 2.9Å; S121-V124 PolarHBondContact O-N 2.89Å; V124-R127 PolarHBondContact O-N 3.17Å; V124-W128 WeakPolarHBondContact O-CB 3.28Å; V124-W128 PolarHBondContact O-N 3.03Å
125K91.8Very high87.1Confident94 Ų9465.1 Ų65.141%0.40933%0.326SS..Hα-helixtrans-61.4-48.4176.7-72.2168.4-174.2157.20111.9S121 D122 R127 W128 E129S121-K125 WeakPolarHBondContact O-CG 3.42Å; S121-K125 PolarHBondContact O-N 3.4Å; S121-K125 PolarHBondContact OG-NZ 3.03Å; D122-K125 PolarHBondContact O-N 2.89Å; K125-R127 VanDerWaalsContact C-N 3.34Å; K125-R127 PolarHBondContact O-N 3.19Å; K125-W128 PolarHBondContact O-N 2.92Å; K125-E129 WeakPolarHBondContact O-CG 3.35Å; K125-E129 PolarHBondContact O-N 3.36Å
126S91.9Very high85.3Confident46 Ų4674.3 Ų74.332%0.32236%0.361SS..Hα-helixtrans-62.1-40.9179.1-174.10000112.3D122 E129 K130D122-S126 WeakPolarHBondContact O-CB 3.49Å; D122-S126 PolarHBondContact O-N 3.42Å; S126-E129 PolarHBondContact O-N 3.34Å; S126-K130 WeakPolarHBondContact O-CB 3.48Å; S126-K130 VanDerWaalsContact O-CG 3.29Å; S126-K130 WeakPolarHBondContact O-CG 3.49Å; S126-K130 PolarHBondContact O-N 3.48Å
127R89.8Confident83.6Confident56 Ų5675.1 Ų75.121%0.21137%0.365CS..Hα-helixtrans-60.2-49.5174.1-179.9-174.4-178.4-72.3-13.5110.8L96 N105 A123 V124 K125 E129 K130 E131L96-R127 HydrophobicContact CD2-CB 4.36Å; N105-R127 PolarHBondContact OD1-NH1 2.95Å; A123-R127 WeakPolarHBondContact O-CB 3.33Å; A123-R127 PolarHBondContact O-N 3.33Å; V124-R127 PolarHBondContact O-N 3.17Å; K125-R127 VanDerWaalsContact C-N 3.34Å; K125-R127 PolarHBondContact O-N 3.19Å; R127-E129 PolarHBondContact O-N 2.91Å; R127-K130 PolarHBondContact O-N 3.07Å; R127-E131 IonicContact CZ-OE1 2.77Å; R127-E131 IonicContact CZ-OE2 2.9Å; R127-E131 IonicContact NE-OE1 3.43Å; R127-E131 IonicContact NH1-OE1 2.62Å; R127-E131 PolarHBondContact NH1-OE1 2.67Å; R127-E131 IonicContact NH1-OE2 3.93Å; R127-E131 PolarHBondContact NH1-OE2 3.39Å; R127-E131 IonicContact NH2-OE1 2.62Å; R127-E131 PolarHBondContact NH2-OE1 2.9Å; R127-E131 WeakPolarHBondContact O-CG 3.43Å; R127-E131 PolarHBondContact O-N 3.18Å
128W85.9Confident81.8Confident90 Ų9075.9 Ų75.934%0.34137%0.369SS..Hα-helixtrans-60.3-44.9179.4-177.5-102.8000112N105 V124 K125 K130 E131 Q132N105-W128 HydrophobicContact CB-CD2 4.16Å; N105-W128 HydrophobicContact CB-CE3 3.46Å; N105-W128 VanDerWaalsContact CB-CE3 3.46Å; N105-W128 HydrophobicContact CB-CZ3 3.89Å; N105-W128 VanDerWaalsContact ND2-CE3 3.3Å; N105-W128 VanDerWaalsContact ND2-CZ3 3.32Å; N105-W128 WeakPolarHBondContact ND2-CZ3 3.14Å; V124-W128 WeakPolarHBondContact O-CB 3.28Å; V124-W128 PolarHBondContact O-N 3.03Å; K125-W128 PolarHBondContact O-N 2.92Å; W128-K130 PolarHBondContact O-N 3.49Å; W128-E131 PolarHBondContact O-N 3.03Å; W128-Q132 WeakPolarHBondContact O-CB 3.4Å; W128-Q132 VanDerWaalsContact O-CG 3.22Å; W128-Q132 WeakPolarHBondContact O-CG 3.24Å; W128-Q132 PolarHBondContact O-N 3.43Å
129E84.6Confident81Confident133 Ų13371.4 Ų71.462%0.62136%0.355SS*.Hα-helixtrans-61.9-41.1176.4-73.9173.9172.500112.5K125 S126 R127 Q132 L133K125-E129 WeakPolarHBondContact O-CG 3.35Å; K125-E129 PolarHBondContact O-N 3.36Å; S126-E129 PolarHBondContact O-N 3.34Å; R127-E129 PolarHBondContact O-N 2.91Å; E129-Q132 PolarHBondContact O-N 2.94Å; E129-L133 VanDerWaalsContact O-CB 3.31Å; E129-L133 WeakPolarHBondContact O-CB 3.44Å; E129-L133 PolarHBondContact O-N 3.43Å
130K82.6Confident80.4Confident139 Ų13970.4 Ų70.460%0.60434%0.344SS*.Hα-helixtrans-64.5-41.5174.7-73.7173.4-174.7177.40112.1S126 R127 W128 Q132 L133 A134S126-K130 WeakPolarHBondContact O-CB 3.48Å; S126-K130 VanDerWaalsContact O-CG 3.29Å; S126-K130 WeakPolarHBondContact O-CG 3.49Å; S126-K130 PolarHBondContact O-N 3.48Å; R127-K130 PolarHBondContact O-N 3.07Å; W128-K130 PolarHBondContact O-N 3.49Å; K130-Q132 VanDerWaalsContact C-N 3.33Å; K130-L133 PolarHBondContact O-N 3.49Å; K130-A134 VanDerWaalsContact O-CB 3.26Å; K130-A134 WeakPolarHBondContact O-CB 3.32Å; K130-A134 PolarHBondContact O-N 2.89Å
131E75.2Confident79.8Confident71 Ų7170.4 Ų70.433%0.33234%0.344SS..Hα-helixtrans-62.8-42.3174.9-73.4-178.5151.300111.2R127 W128 S135R127-E131 IonicContact CZ-OE1 2.77Å; R127-E131 IonicContact CZ-OE2 2.9Å; R127-E131 IonicContact NE-OE1 3.43Å; R127-E131 IonicContact NH1-OE1 2.62Å; R127-E131 PolarHBondContact NH1-OE1 2.67Å; R127-E131 IonicContact NH1-OE2 3.93Å; R127-E131 PolarHBondContact NH1-OE2 3.39Å; R127-E131 IonicContact NH2-OE1 2.62Å; R127-E131 PolarHBondContact NH2-OE1 2.9Å; R127-E131 WeakPolarHBondContact O-CG 3.43Å; R127-E131 PolarHBondContact O-N 3.18Å; W128-E131 PolarHBondContact O-N 3.03Å; E131-S135 VanDerWaalsContact O-CB 3.31Å; E131-S135 WeakPolarHBondContact O-CB 3.43Å; E131-S135 PolarHBondContact O-N 2.88Å
132Q72.1Confident79.4Confident89 Ų8971.5 Ų71.542%0.41635%0.349SS..Hα-helixtrans-67.3-36.5175.8-67.7-66.794.300112.1W128 E129 K130 R136W128-Q132 WeakPolarHBondContact O-CB 3.4Å; W128-Q132 VanDerWaalsContact O-CG 3.22Å; W128-Q132 WeakPolarHBondContact O-CG 3.24Å; W128-Q132 PolarHBondContact O-N 3.43Å; E129-Q132 PolarHBondContact O-N 2.94Å; K130-Q132 VanDerWaalsContact C-N 3.33Å; Q132-R136 WeakPolarHBondContact O-CG 3.36Å; Q132-R136 PolarHBondContact O-N 3.2Å
133L68.2Low78.8Confident97 Ų9767.7 Ų67.751%0.50833%0.329SS..Hα-helixtrans-71.2-45176.9-172.865.2000111.5E129 K130 S135 R136 E137E129-L133 VanDerWaalsContact O-CB 3.31Å; E129-L133 WeakPolarHBondContact O-CB 3.44Å; E129-L133 PolarHBondContact O-N 3.43Å; K130-L133 PolarHBondContact O-N 3.49Å; L133-S135 VanDerWaalsContact C-N 3.25Å; L133-S135 PolarHBondContact O-N 3.18Å; L133-R136 CarbonylContact O-C 3.52Å; L133-R136 WeakPolarHBondContact O-CA 3.32Å; L133-R136 WeakPolarHBondContact O-CB 3.19Å; L133-R136 PolarHBondContact O-N 3.41Å; L133-E137 WeakPolarHBondContact O-CG 3.31Å; L133-E137 PolarHBondContact O-N 2.9Å
134A64.3Low77.9Confident56 Ų5666.4 Ų66.446%0.46332%0.318SS..Hα-helixtrans-61.9-35.9174.500000111.7K130 T138K130-A134 VanDerWaalsContact O-CB 3.26Å; K130-A134 WeakPolarHBondContact O-CB 3.32Å; K130-A134 PolarHBondContact O-N 2.89Å; A134-T138 PolarHBondContact O-OG1 2.89Å; A134-T138 VanDerWaalsContact O-OG1 3.12Å
135S61.3Low76.8Confident24 Ų2466.6 Ų66.617%0.16832%0.318CS..Hα-helixtrans-60.5-57166.3-170.70000109E131 L133 E137 T138 P160E131-S135 VanDerWaalsContact O-CB 3.31Å; E131-S135 WeakPolarHBondContact O-CB 3.43Å; E131-S135 PolarHBondContact O-N 2.88Å; L133-S135 VanDerWaalsContact C-N 3.25Å; L133-S135 PolarHBondContact O-N 3.18Å; S135-E137 PolarHBondContact O-N 3.04Å; S135-T138 PolarHBondContact O-N 3.23Å; S135-T138 PolarHBondContact O-OG1 3.27Å; S135-P160 WeakPolarHBondContact O-CB 3.34Å; S135-P160 VanDerWaalsContact O-CG 3.31Å; S135-P160 WeakPolarHBondContact O-CG 3.42Å; S135-P160 WeakPolarHBondContact OG-CB 3.32Å; S135-P160 WeakPolarHBondContact OG-CG 3.5Å
136R60.2Low75.8Confident192 Ų19264.3 Ų64.373%0.72532%0.315SS*.Hα-helixtrans-55.9-29.4179.8-71.5169.31121525.1115.7Q132 L133 T138Q132-R136 WeakPolarHBondContact O-CG 3.36Å; Q132-R136 PolarHBondContact O-N 3.2Å; L133-R136 CarbonylContact O-C 3.52Å; L133-R136 WeakPolarHBondContact O-CA 3.32Å; L133-R136 WeakPolarHBondContact O-CB 3.19Å; L133-R136 PolarHBondContact O-N 3.41Å; R136-T138 VanDerWaalsContact C-N 3.3Å; R136-T138 PolarHBondContact O-N 3.35Å
137E61.4Low74.5Confident131 Ų13168.5 Ų68.561%0.61233%0.329SS*.Hα-helixtrans-71.5-20.9176.1-74.1177.8179.700113.3L133 S135 T139L133-E137 WeakPolarHBondContact O-CG 3.31Å; L133-E137 PolarHBondContact O-N 2.9Å; S135-E137 PolarHBondContact O-N 3.04Å; E137-T139 PolarHBondContact O-N 2.93Å
138T60.6Low73.3Confident19 Ų1969.1 Ų69.112%0.11734%0.336CS..  trans-81.778.1176.611.90000111.8A134 S135 R136 P160 I163 N190A134-T138 PolarHBondContact O-OG1 2.89Å; A134-T138 VanDerWaalsContact O-OG1 3.12Å; S135-T138 PolarHBondContact O-N 3.23Å; S135-T138 PolarHBondContact O-OG1 3.27Å; R136-T138 VanDerWaalsContact C-N 3.3Å; R136-T138 PolarHBondContact O-N 3.35Å; T138-P160 WeakPolarHBondContact O-CA 3.22Å; T138-P160 WeakPolarHBondContact O-CB 3.38Å; T138-I163 HydrophobicContact CG2-CG2 3.96Å; T138-N190 HydrophobicContact CG2-CB 4.41Å; T138-N190 WeakPolarHBondContact CG2-OD1 3.31Å
139T76.6Confident72Confident62 Ų6273.4 Ų73.438%0.3835%0.352SS..  trans-87.6-8.5170.257.90000113E137 F156 C157E137-T139 PolarHBondContact O-N 2.93Å; T139-F156 WeakPolarHBondContact O-CA 3.3Å; T139-C157 CarbonylContact C-O 3.58Å; T139-C157 WeakPolarHBondContact CA-O 3.36Å; T139-C157 CarbonylContact O-C 3.56Å; T139-C157 PolarHBondContact O-N 3.38Å; T139-C157 VanDerWaalsContact O-O 3.06Å
140F84.4Confident70.8Confident62 Ų6268.6 Ų68.627%0.27233%0.333SS..EExtended strand (participates in β ladder)trans-149.1157.4-179.975.2-82000113.4E142 I155 F156 N190F140-E142 HydrophobicContact CD2-CB 4.21Å; F140-E142 HydrophobicContact CE2-CB 4.1Å; F140-I155 CarbonylContact C-O 3.55Å; F140-I155 WeakPolarHBondContact CA-O 3.47Å; F140-I155 WeakPolarHBondContact CB-O 3.43Å; F140-F156 HydrophobicContact CB-CD1 3.54Å; F140-F156 HydrophobicContact CB-CE1 3.77Å; F140-F156 HydrophobicContact CB-CG 4.27Å; F140-F156 HydrophobicContact CG-CD1 4.44Å; F140-F156 HydrophobicContact CG-CE1 4.23Å; F140-N190 HydrophobicContact CE2-CB 4.23Å; F140-N190 HydrophobicContact CZ-CB 4.29Å
141L84.2Confident70Confident0 Ų064.8 Ų64.80%032%0.318CS..EExtended strand (participates in β ladder)trans-121.2130.2166.5176.864.8000108.2I143 R154 I155 I163 I166 K167 I170 I192L141-I143 HydrophobicContact CG-CG1 4.43Å; L141-R154 CarbonylContact O-C 3.59Å; L141-R154 WeakPolarHBondContact O-CA 3.3Å; L141-I155 HydrophobicContact CB-CB 4.32Å; L141-I155 HydrophobicContact CD2-CD1 4.39Å; L141-I155 PolarHBondContact N-O 2.91Å; L141-I155 PolarHBondContact O-N 3.29Å; L141-I163 HydrophobicContact CB-CD1 4.34Å; L141-I163 HydrophobicContact CB-CG2 4.13Å; L141-I166 HydrophobicContact CD2-CB 4.36Å; L141-I166 HydrophobicContact CD2-CG2 3.65Å; L141-K167 HydrophobicContact CD1-CB 4.04Å; L141-K167 HydrophobicContact CD1-CD 4.36Å; L141-K167 HydrophobicContact CD1-CG 4Å; L141-K167 HydrophobicContact CD2-CB 4.1Å; L141-I170 HydrophobicContact CD2-CD1 4.18Å; L141-I192 HydrophobicContact CD1-CD1 4.26Å; L141-I192 HydrophobicContact CD1-CG1 4.23Å
142E86.7Confident69.9Low25 Ų2561.4 Ų61.412%0.11730%0.302CS..EExtended strand (participates in β ladder)trans-113133.6176178.2165.4-137.800109.9F140 T144 L153 R154 N190 I191 I192F140-E142 HydrophobicContact CD2-CB 4.21Å; F140-E142 HydrophobicContact CE2-CB 4.1Å; E142-T144 HydrophobicContact CG-CG2 3.37Å; E142-L153 CarbonylContact C-O 3.58Å; E142-L153 WeakPolarHBondContact CA-O 3.35Å; E142-R154 HydrophobicContact CB-CG 4.36Å; E142-R154 HydrophobicContact CG-CG 4.12Å; E142-R154 IonicContact OE1-CZ 2.88Å; E142-R154 VanDerWaalsContact OE1-CZ 3.25Å; E142-R154 IonicContact OE1-NE 2.67Å; E142-R154 PolarHBondContact OE1-NE 3.49Å; E142-R154 IonicContact OE1-NH2 2.96Å; E142-R154 PolarHBondContact OE1-NH2 2.93Å; E142-N190 PolarHBondContact N-O 3.45Å; E142-I191 HydrophobicContact CB-CG1 4.35Å; E142-I191 CarbonylContact O-C 3.55Å; E142-I191 VanDerWaalsContact O-CA 3.25Å; E142-I191 WeakPolarHBondContact O-CA 3.22Å; E142-I192 PolarHBondContact O-N 3.4Å
143I81.9Confident70.4Confident0 Ų057.2 Ų57.20%028%0.283CS..EExtended strand (participates in β ladder)trans-121.3111.8177.6-52.2176.2000106.5L141 G152 L153 I170 I192 F194 L221L141-I143 HydrophobicContact CG-CG1 4.43Å; I143-G152 CarbonylContact O-C 3.28Å; I143-G152 WeakPolarHBondContact O-CA 3.31Å; I143-L153 HydrophobicContact CB-CB 4.14Å; I143-L153 HydrophobicContact CD1-CB 4.35Å; I143-L153 HydrophobicContact CD1-CD2 4.2Å; I143-L153 PolarHBondContact N-O 2.8Å; I143-L153 PolarHBondContact O-N 2.87Å; I143-I170 HydrophobicContact CD1-CD1 3.45Å; I143-I170 VanDerWaalsContact CD1-CD1 3.45Å; I143-I170 HydrophobicContact CD1-CG2 4.35Å; I143-I192 VanDerWaalsContact CA-O 3.31Å; I143-I192 WeakPolarHBondContact CA-O 3.49Å; I143-F194 HydrophobicContact CG2-CD2 4Å; I143-F194 HydrophobicContact CG2-CE2 3.61Å; I143-L221 HydrophobicContact CD1-CD1 4.09Å; I143-L221 HydrophobicContact CG2-CD1 4.2Å
144T77.5Confident71.3Confident6 Ų657 Ų574%0.03728%0.275CS..EExtended strand (participates in β ladder)trans-136.7158.8-167.946.20000113E142 I192 Q193 F194 F197E142-T144 HydrophobicContact CG-CG2 3.37Å; T144-I192 PolarHBondContact N-O 2.89Å; T144-Q193 CarbonylContact O-C 3.36Å; T144-Q193 WeakPolarHBondContact O-CA 3.47Å; T144-F194 PolarHBondContact O-N 2.72Å; T144-F197 WeakPolarHBondContact O-CE2 3.45Å
145D72Confident72.4Confident6 Ų654.4 Ų54.43%0.03225%0.253CS..EExtended strand (participates in β ladder)trans-82.4151.6171.3-170.3-122000111.6H147 D148 F194 Y196 F197D145-H147 VanDerWaalsContact OD1-CA 3.25Å; D145-H147 WeakPolarHBondContact OD1-CA 3.39Å; D145-H147 VanDerWaalsContact OD1-CB 3.26Å; D145-H147 WeakPolarHBondContact OD1-CB 3.48Å; D145-H147 PolarHBondContact OD1-N 3.26Å; D145-D148 WeakPolarHBondContact CB-O 3.29Å; D145-D148 PolarHBondContact OD1-N 3.01Å; D145-F194 CarbonylContact C-O 3.48Å; D145-Y196 WeakPolarHBondContact OD2-CA 2.89Å; D145-Y196 PolarHBondContact OD2-N 3.46Å; D145-F197 HydrophobicContact CB-CB 3.84Å; D145-F197 HydrophobicContact CB-CD1 4.23Å; D145-F197 HydrophobicContact CB-CD2 3.12Å; D145-F197 HydrophobicContact CB-CE2 3.54Å; D145-F197 HydrophobicContact CB-CG 3.49Å; D145-F197 VanDerWaalsContact CB-CG 3.49Å; D145-F197 HydrophobicContact CB-CZ 4.29Å; D145-F197 VanDerWaalsContact CG-CD2 3.42Å; D145-F197 WeakPolarHBondContact OD2-CD2 3.4Å; D145-F197 PolarHBondContact OD2-N 3.02Å
146S69.8Low73.7Confident47 Ų4756.6 Ų56.633%0.32926%0.26SS..SBendtrans-78-28.7175.385.50000114F194 K195S146-F194 WeakPolarHBondContact CB-O 3.39Å; S146-F194 PolarHBondContact N-O 3.12Å; S146-K195 PolarHBondContact OG-O 3.37Å
147H64.8Low74.9Confident133 Ų13347.6 Ų47.662%0.61623%0.227SC*.SBendtrans-93.9-29.1-179.1-62.8-68000113D145 K195 Y196D145-H147 VanDerWaalsContact OD1-CA 3.25Å; D145-H147 WeakPolarHBondContact OD1-CA 3.39Å; D145-H147 VanDerWaalsContact OD1-CB 3.26Å; D145-H147 WeakPolarHBondContact OD1-CB 3.48Å; D145-H147 PolarHBondContact OD1-N 3.26Å; H147-K195 PolarHBondContact CD2-O 2.94Å; H147-Y196 AromaticContact CD2-CD1 3.67Å; H147-Y196 AromaticContact CD2-CE1 3.79Å; H147-Y196 AromaticContact NE2-CD1 3.71Å; H147-Y196 AromaticContact NE2-CE1 3.32Å; H147-Y196 VanDerWaalsContact NE2-CE1 3.32Å; H147-Y196 WeakPolarHBondContact NE2-CE1 3.32Å
148D64.9Low75.7Confident70 Ų7048.2 Ų48.237%0.37423%0.234SC..  trans-141.396.9177.4-171.4-1.3000113.8D145 S150 Q151D145-D148 WeakPolarHBondContact CB-O 3.29Å; D145-D148 PolarHBondContact OD1-N 3.01Å; D148-S150 PolarHBondContact O-N 3.48Å; D148-S150 VanDerWaalsContact O-N 3.08Å; D148-S150 VanDerWaalsContact OD1-CB 3.23Å; D148-S150 WeakPolarHBondContact OD1-CB 3.48Å; D148-S150 PolarHBondContact OD1-N 3.49Å; D148-S150 PolarHBondContact OD1-OG 2.87Å; D148-S150 PolarHBondContact OD2-OG 3.21Å; D148-Q151 HydrophobicContact CB-CG 4.29Å; D148-Q151 PolarHBondContact O-N 3.41Å; D148-Q151 VanDerWaalsContact O-N 3.08Å; D148-Q151 WeakPolarHBondContact OD2-CG 3.22Å
149R59.1Low76.8Confident179 Ų17948.2 Ų48.268%0.67524%0.236SC*.THydrogen-bonded Turntrans-65.5-10177.7-64.5-173.3-178-175.60.7114.4Q151R149-Q151 VanDerWaalsContact C-N 3.3Å
150S59.7Low77Confident32 Ų3246.5 Ų46.522%0.22423%0.226CC..THydrogen-bonded Turntrans-69-32.117272.30000111D148 G152 H249 S250D148-S150 PolarHBondContact O-N 3.48Å; D148-S150 VanDerWaalsContact O-N 3.08Å; D148-S150 VanDerWaalsContact OD1-CB 3.23Å; D148-S150 WeakPolarHBondContact OD1-CB 3.48Å; D148-S150 PolarHBondContact OD1-N 3.49Å; D148-S150 PolarHBondContact OD1-OG 2.87Å; D148-S150 PolarHBondContact OD2-OG 3.21Å; S150-G152 VanDerWaalsContact C-N 3.31Å; S150-G152 PolarHBondContact O-N 2.98Å; S150-H249 CarbonylContact C-O 3.44Å; S150-H249 CarbonylContact O-C 3.58Å; S150-H249 VanDerWaalsContact O-C 3.28Å; S150-S250 VanDerWaalsContact O-CA 3.3Å; S150-S250 WeakPolarHBondContact O-CA 3.29Å; S150-S250 VanDerWaalsContact O-CB 3.23Å; S150-S250 WeakPolarHBondContact O-CB 3.48Å
151Q64.6Low76.9Confident59 Ų5948.7 Ų48.728%0.27624%0.24SC..SBendtrans-8940.3-168.5-57.8-62.2-37.300114.7D148 R149 F197D148-Q151 HydrophobicContact CB-CG 4.29Å; D148-Q151 PolarHBondContact O-N 3.41Å; D148-Q151 VanDerWaalsContact O-N 3.08Å; D148-Q151 WeakPolarHBondContact OD2-CG 3.22Å; R149-Q151 VanDerWaalsContact C-N 3.3Å; Q151-F197 HydrophobicContact CB-CD1 4.34Å; Q151-F197 WeakPolarHBondContact O-CD1 3.15Å; Q151-F197 WeakPolarHBondContact O-CE1 3.45Å
152G73.9Confident77Confident1 Ų149 Ų491%0.0124%0.241CC..  trans-104.9170.5-174.500000116.7I143 S150 S250 D251I143-G152 CarbonylContact O-C 3.28Å; I143-G152 WeakPolarHBondContact O-CA 3.31Å; S150-G152 VanDerWaalsContact C-N 3.31Å; S150-G152 PolarHBondContact O-N 2.98Å; G152-S250 WeakPolarHBondContact O-CB 3.39Å; G152-D251 PolarHBondContact O-N 2.75Å
153L81.9Confident77Confident0 Ų047.9 Ų47.90%024%0.236CC..EExtended strand (participates in β ladder)trans-104.3128.9163.7-17255.9000110E142 I143 I155 L218 L221 K222 D251 L253E142-L153 CarbonylContact C-O 3.58Å; E142-L153 WeakPolarHBondContact CA-O 3.35Å; I143-L153 HydrophobicContact CB-CB 4.14Å; I143-L153 HydrophobicContact CD1-CB 4.35Å; I143-L153 HydrophobicContact CD1-CD2 4.2Å; I143-L153 PolarHBondContact N-O 2.8Å; I143-L153 PolarHBondContact O-N 2.87Å; L153-I155 HydrophobicContact CD2-CD1 3.99Å; L153-I155 HydrophobicContact CD2-CG1 4.06Å; L153-I155 HydrophobicContact CG-CD1 4.45Å; L153-I155 HydrophobicContact CG-CG1 4.02Å; L153-L218 HydrophobicContact CB-CD1 3.66Å; L153-L218 HydrophobicContact CD1-CD1 4.49Å; L153-L218 HydrophobicContact CD2-CD1 4.39Å; L153-L218 HydrophobicContact CG-CD1 4.38Å; L153-L221 HydrophobicContact CD2-CB 4.22Å; L153-K222 HydrophobicContact CD1-CG 3.83Å; L153-K222 HydrophobicContact CD2-CG 4.04Å; L153-D251 CarbonylContact C-O 3.44Å; L153-D251 WeakPolarHBondContact CA-O 3.47Å; L153-D251 HydrophobicContact CD1-CB 3.95Å; L153-L253 HydrophobicContact CD1-CD1 4.41Å; L153-L253 HydrophobicContact CD1-CG 4.26Å
154R87.3Confident77.1Confident94 Ų9450.1 Ų50.136%0.35526%0.255SS..EExtended strand (participates in β ladder)trans-110.8125167.9-66.8178.9177.2172.2-2.2110.4L141 E142 F156 D251 A252 L253L141-R154 CarbonylContact O-C 3.59Å; L141-R154 WeakPolarHBondContact O-CA 3.3Å; E142-R154 HydrophobicContact CB-CG 4.36Å; E142-R154 HydrophobicContact CG-CG 4.12Å; E142-R154 IonicContact OE1-CZ 2.88Å; E142-R154 VanDerWaalsContact OE1-CZ 3.25Å; E142-R154 IonicContact OE1-NE 2.67Å; E142-R154 PolarHBondContact OE1-NE 3.49Å; E142-R154 IonicContact OE1-NH2 2.96Å; E142-R154 PolarHBondContact OE1-NH2 2.93Å; R154-F156 HydrophobicContact CB-CD2 4.28Å; R154-F156 HydrophobicContact CB-CE2 3.52Å; R154-F156 HydrophobicContact CB-CZ 3.94Å; R154-D251 PolarHBondContact N-O 2.94Å; R154-A252 HydrophobicContact CB-CB 4.38Å; R154-A252 CarbonylContact O-C 3.6Å; R154-A252 WeakPolarHBondContact O-CA 3.26Å; R154-L253 PolarHBondContact O-N 3.34Å
155I87.8Confident77.5Confident0 Ų055.8 Ų55.80%028%0.279CS..EExtended strand (participates in β ladder)trans-110.5111.9176.4-59.7170.6000107.4F140 L141 L153 I163 I166 A225 L253 F255F140-I155 CarbonylContact C-O 3.55Å; F140-I155 WeakPolarHBondContact CA-O 3.47Å; F140-I155 WeakPolarHBondContact CB-O 3.43Å; L141-I155 HydrophobicContact CB-CB 4.32Å; L141-I155 HydrophobicContact CD2-CD1 4.39Å; L141-I155 PolarHBondContact N-O 2.91Å; L141-I155 PolarHBondContact O-N 3.29Å; L153-I155 HydrophobicContact CD2-CD1 3.99Å; L153-I155 HydrophobicContact CD2-CG1 4.06Å; L153-I155 HydrophobicContact CG-CD1 4.45Å; L153-I155 HydrophobicContact CG-CG1 4.02Å; I155-I163 HydrophobicContact CG2-CD1 4.2Å; I155-I166 HydrophobicContact CD1-CG2 3.97Å; I155-I166 HydrophobicContact CG2-CD1 4.09Å; I155-A225 HydrophobicContact CD1-CB 3.64Å; I155-L253 CarbonylContact C-O 3.46Å; I155-L253 WeakPolarHBondContact CA-O 3.49Å; I155-L253 HydrophobicContact CG1-CB 4.5Å; I155-F255 HydrophobicContact CG2-CD2 3.81Å; I155-F255 HydrophobicContact CG2-CE2 3.76Å
156F87.9Confident78.2Confident71 Ų7155.5 Ų55.531%0.31128%0.277SS..EExtended strand (participates in β ladder)trans-98.3131.8175.7-61.8-86.2000109.7T139 F140 R154 A252 L253 H254 F255T139-F156 WeakPolarHBondContact O-CA 3.3Å; F140-F156 HydrophobicContact CB-CD1 3.54Å; F140-F156 HydrophobicContact CB-CE1 3.77Å; F140-F156 HydrophobicContact CB-CG 4.27Å; F140-F156 HydrophobicContact CG-CD1 4.44Å; F140-F156 HydrophobicContact CG-CE1 4.23Å; R154-F156 HydrophobicContact CB-CD2 4.28Å; R154-F156 HydrophobicContact CB-CE2 3.52Å; R154-F156 HydrophobicContact CB-CZ 3.94Å; F156-A252 HydrophobicContact CE2-CB 4.21Å; F156-L253 PolarHBondContact N-O 3.43Å; F156-H254 HydrophobicContact CB-CB 4.41Å; F156-H254 WeakPolarHBondContact O-CA 3.4Å; F156-F255 PolarHBondContact O-N 3.4Å
157C85.4Confident78.9Confident3 Ų355.3 Ų55.32%0.0227%0.271CS..EExtended strand (participates in β ladder)trans-156133172.1-168.70000110.3T139 A159 F162 I163 F234 F255T139-C157 CarbonylContact C-O 3.58Å; T139-C157 WeakPolarHBondContact CA-O 3.36Å; T139-C157 CarbonylContact O-C 3.56Å; T139-C157 PolarHBondContact O-N 3.38Å; T139-C157 VanDerWaalsContact O-O 3.06Å; C157-A159 PolarHBondContact O-N 3.24Å; C157-F162 HydrophobicContact CB-CD1 3.99Å; C157-F162 HydrophobicContact CB-CE1 4.49Å; C157-I163 HydrophobicContact CB-CD1 3.81Å; C157-I163 HydrophobicContact CB-CG1 4.11Å; C157-F234 WeakPolarHBondContact SG-CE1 3.48Å; C157-F255 HydrophobicContact CB-CB 4.26Å; C157-F255 PolarHBondContact SG-O 3.16Å; C157-F255 VanDerWaalsContact SG-O 3.39Å
158N79.4Confident79.9Confident143 Ų14352.8 Ų52.877%0.76527%0.268SS*.SBendtrans-78.136.2173.5-164.733.7000112.4
159A83Confident80.8Confident19 Ų1954 Ų5416%0.15727%0.268CS..  trans-141.896.517800000109.2C157 D161 F162 I163 F234C157-A159 PolarHBondContact O-N 3.24Å; A159-D161 PolarHBondContact O-N 2.95Å; A159-F162 HydrophobicContact CB-CB 3.97Å; A159-F162 WeakPolarHBondContact O-CA 3.3Å; A159-F162 VanDerWaalsContact O-CB 3.32Å; A159-F162 WeakPolarHBondContact O-CB 3.45Å; A159-F162 PolarHBondContact O-N 3.29Å; A159-I163 PolarHBondContact O-N 3.11Å; A159-I163 VanDerWaalsContact O-N 3.1Å; A159-F234 HydrophobicContact CB-CE1 3.4Å; A159-F234 VanDerWaalsContact CB-CE1 3.4Å; A159-F234 HydrophobicContact CB-CZ 3.41Å; A159-F234 VanDerWaalsContact CB-CZ 3.41Å
160P81.4Confident81.9Confident26 Ų2645.8 Ų45.817%0.16924%0.237CC..Hα-helixtrans-70.3-31.7-171.627.9-36.7000114S135 T138 F162 I163 A164S135-P160 WeakPolarHBondContact O-CB 3.34Å; S135-P160 VanDerWaalsContact O-CG 3.31Å; S135-P160 WeakPolarHBondContact O-CG 3.42Å; S135-P160 WeakPolarHBondContact OG-CB 3.32Å; S135-P160 WeakPolarHBondContact OG-CG 3.5Å; T138-P160 WeakPolarHBondContact O-CA 3.22Å; T138-P160 WeakPolarHBondContact O-CB 3.38Å; P160-F162 PolarHBondContact O-N 2.85Å; P160-I163 WeakPolarHBondContact O-CB 3.39Å; P160-I163 PolarHBondContact O-N 2.99Å; P160-I163 VanDerWaalsContact O-N 3.13Å; P160-A164 WeakPolarHBondContact O-CB 3.5Å; P160-A164 PolarHBondContact O-N 3.39Å
161D82.1Confident82.9Confident108 Ų10845.3 Ų45.358%0.57823%0.232SC*.Hα-helixtrans-59.3-32.9171.4-61-27.6000111.8A159 K165A159-D161 PolarHBondContact O-N 2.95Å; D161-K165 WeakPolarHBondContact O-CB 2.73Å; D161-K165 VanDerWaalsContact O-CG 3.24Å; D161-K165 WeakPolarHBondContact O-CG 3.48Å; D161-K165 PolarHBondContact O-N 3.5Å
162F85.1Confident83.6Confident6 Ų647.4 Ų47.43%0.02625%0.245CC..Hα-helixtrans-74.6-42.5175.9176.5-111.4000111.5C157 A159 P160 A164 K165 I166 M228 A229 C232 F234 F255C157-F162 HydrophobicContact CB-CD1 3.99Å; C157-F162 HydrophobicContact CB-CE1 4.49Å; A159-F162 HydrophobicContact CB-CB 3.97Å; A159-F162 WeakPolarHBondContact O-CA 3.3Å; A159-F162 VanDerWaalsContact O-CB 3.32Å; A159-F162 WeakPolarHBondContact O-CB 3.45Å; A159-F162 PolarHBondContact O-N 3.29Å; P160-F162 PolarHBondContact O-N 2.85Å; F162-A164 VanDerWaalsContact C-N 3.32Å; F162-A164 PolarHBondContact O-N 3.39Å; F162-K165 PolarHBondContact O-N 2.89Å; F162-I166 HydrophobicContact CD1-CD1 3.87Å; F162-I166 HydrophobicContact CD2-CD1 4.47Å; F162-I166 HydrophobicContact CD2-CG1 4.42Å; F162-I166 HydrophobicContact CE1-CD1 3.16Å; F162-I166 HydrophobicContact CE1-CG1 4.08Å; F162-I166 HydrophobicContact CE2-CD1 3.84Å; F162-I166 HydrophobicContact CE2-CG1 3.88Å; F162-I166 HydrophobicContact CG-CD1 4.47Å; F162-I166 HydrophobicContact CZ-CD1 3.12Å; F162-I166 HydrophobicContact CZ-CG1 3.7Å; F162-I166 PolarHBondContact O-N 3.17Å; F162-M228 HydrophobicContact CE2-CB 4.16Å; F162-A229 HydrophobicContact CE1-CB 4.1Å; F162-A229 HydrophobicContact CE2-CB 4.28Å; F162-A229 HydrophobicContact CZ-CB 3.47Å; F162-A229 VanDerWaalsContact CZ-CB 3.47Å; F162-C232 HydrophobicContact CD2-CB 4.24Å; F162-C232 HydrophobicContact CE2-CB 4.33Å; F162-F234 HydrophobicContact CB-CE2 3.93Å; F162-F234 HydrophobicContact CB-CZ 3.75Å; F162-F234 HydrophobicContact CD1-CE2 4.4Å; F162-F234 HydrophobicContact CD1-CZ 4.4Å; F162-F234 HydrophobicContact CD2-CD2 4.19Å; F162-F234 AromaticContact CD2-CE2 3.91Å; F162-F234 HydrophobicContact CD2-CE2 3.91Å; F162-F234 HydrophobicContact CE2-CD2 4.41Å; F162-F234 HydrophobicContact CG-CD2 4.26Å; F162-F234 AromaticContact CG-CE2 3.81Å; F162-F234 HydrophobicContact CG-CE2 3.81Å; F162-F234 AromaticContact CG-CZ 3.99Å; F162-F234 HydrophobicContact CG-CZ 3.99Å; F162-F255 HydrophobicContact CE1-CB 4.42Å; F162-F255 HydrophobicContact CE1-CD2 4.03Å; F162-F255 HydrophobicContact CE1-CG 4.32Å
163I86.7Confident83.7Confident2 Ų249 Ų491%0.0126%0.255CS..Hα-helixtrans-56.5-46.5172.2-69.2-61.5000110.9T138 L141 I155 C157 A159 P160 K165 I166 K167T138-I163 HydrophobicContact CG2-CG2 3.96Å; L141-I163 HydrophobicContact CB-CD1 4.34Å; L141-I163 HydrophobicContact CB-CG2 4.13Å; I155-I163 HydrophobicContact CG2-CD1 4.2Å; C157-I163 HydrophobicContact CB-CD1 3.81Å; C157-I163 HydrophobicContact CB-CG1 4.11Å; A159-I163 PolarHBondContact O-N 3.11Å; A159-I163 VanDerWaalsContact O-N 3.1Å; P160-I163 WeakPolarHBondContact O-CB 3.39Å; P160-I163 PolarHBondContact O-N 2.99Å; P160-I163 VanDerWaalsContact O-N 3.13Å; I163-K165 PolarHBondContact O-N 2.93Å; I163-I166 PolarHBondContact O-N 3.37Å; I163-K167 VanDerWaalsContact O-CB 3.3Å; I163-K167 WeakPolarHBondContact O-CB 3.47Å; I163-K167 PolarHBondContact O-N 2.85Å
164A83.9Confident83.3Confident47 Ų4749.2 Ų49.239%0.38826%0.256SS..Hα-helixtrans-61-44.1175.400000111.9P160 F162 K167 S168P160-A164 WeakPolarHBondContact O-CB 3.5Å; P160-A164 PolarHBondContact O-N 3.39Å; F162-A164 VanDerWaalsContact C-N 3.32Å; F162-A164 PolarHBondContact O-N 3.39Å; A164-K167 PolarHBondContact O-N 3.46Å; A164-S168 PolarHBondContact O-N 2.89Å; A164-S168 PolarHBondContact O-OG 2.95Å
165K85.8Confident82.7Confident125 Ų12550.5 Ų50.554%0.54326%0.264SS..Hα-helixtrans-61.2-47176-79.3173.3-176.5179.40112.7D161 F162 I163 S168 R169 M228D161-K165 WeakPolarHBondContact O-CB 2.73Å; D161-K165 VanDerWaalsContact O-CG 3.24Å; D161-K165 WeakPolarHBondContact O-CG 3.48Å; D161-K165 PolarHBondContact O-N 3.5Å; F162-K165 PolarHBondContact O-N 2.89Å; I163-K165 PolarHBondContact O-N 2.93Å; K165-S168 PolarHBondContact O-N 3.49Å; K165-R169 WeakPolarHBondContact O-CB 3.44Å; K165-R169 PolarHBondContact O-N 3.48Å; K165-M228 HydrophobicContact CB-CE 4.27Å
166I86.9Confident81.9Confident0 Ų054.2 Ų54.20%029%0.29CS..Hα-helixtrans-60-49.3175.4-71.7173.8000109.5L141 I155 F162 I163 S168 R169 I170 A225 M228L141-I166 HydrophobicContact CD2-CB 4.36Å; L141-I166 HydrophobicContact CD2-CG2 3.65Å; I155-I166 HydrophobicContact CD1-CG2 3.97Å; I155-I166 HydrophobicContact CG2-CD1 4.09Å; F162-I166 HydrophobicContact CD1-CD1 3.87Å; F162-I166 HydrophobicContact CD2-CD1 4.47Å; F162-I166 HydrophobicContact CD2-CG1 4.42Å; F162-I166 HydrophobicContact CE1-CD1 3.16Å; F162-I166 HydrophobicContact CE1-CG1 4.08Å; F162-I166 HydrophobicContact CE2-CD1 3.84Å; F162-I166 HydrophobicContact CE2-CG1 3.88Å; F162-I166 HydrophobicContact CG-CD1 4.47Å; F162-I166 HydrophobicContact CZ-CD1 3.12Å; F162-I166 HydrophobicContact CZ-CG1 3.7Å; F162-I166 PolarHBondContact O-N 3.17Å; I163-I166 PolarHBondContact O-N 3.37Å; I166-S168 PolarHBondContact O-N 3.29Å; I166-R169 WeakPolarHBondContact O-CB 3.45Å; I166-R169 PolarHBondContact O-N 2.92Å; I166-R169 VanDerWaalsContact O-N 3.11Å; I166-I170 HydrophobicContact CG2-CD1 3.48Å; I166-I170 VanDerWaalsContact CG2-CD1 3.48Å; I166-I170 HydrophobicContact CG2-CG1 4.01Å; I166-I170 WeakPolarHBondContact O-CG1 3.31Å; I166-I170 PolarHBondContact O-N 3.4Å; I166-A225 HydrophobicContact CD1-CB 4.34Å; I166-M228 HydrophobicContact CG1-CE 4.31Å; I166-M228 HydrophobicContact CG1-SD 4.23Å
167K86.3Confident80.9Confident43 Ų4360 Ų6019%0.18731%0.31CS..Hα-helixtrans-54.7-51.5-179.9-177.3-173.2178.1-175.10111.3L141 I163 A164 R169 I170 V171 S188 S189 I192L141-K167 HydrophobicContact CD1-CB 4.04Å; L141-K167 HydrophobicContact CD1-CD 4.36Å; L141-K167 HydrophobicContact CD1-CG 4Å; L141-K167 HydrophobicContact CD2-CB 4.1Å; I163-K167 VanDerWaalsContact O-CB 3.3Å; I163-K167 WeakPolarHBondContact O-CB 3.47Å; I163-K167 PolarHBondContact O-N 2.85Å; A164-K167 PolarHBondContact O-N 3.46Å; K167-R169 VanDerWaalsContact C-N 3.31Å; K167-R169 PolarHBondContact O-N 2.89Å; K167-I170 PolarHBondContact O-N 2.87Å; K167-V171 WeakPolarHBondContact O-CB 3.43Å; K167-V171 VanDerWaalsContact O-CG2 3.3Å; K167-V171 WeakPolarHBondContact O-CG2 3.26Å; K167-V171 PolarHBondContact O-N 3.35Å; K167-S188 VanDerWaalsContact CE-O 3.3Å; K167-S188 WeakPolarHBondContact CE-O 3.36Å; K167-S188 PolarHBondContact NZ-O 2.94Å; K167-S189 PolarHBondContact NZ-O 3.25Å; K167-I192 HydrophobicContact CG-CD1 4.14Å; K167-I192 HydrophobicContact CG-CG1 4.42Å
168S84.9Confident79.9Confident80 Ų8060.4 Ų60.456%0.55931%0.312SS*.Hα-helixtrans-59.5-40.6177.4-650000112.4A164 K165 I166 L172A164-S168 PolarHBondContact O-N 2.89Å; A164-S168 PolarHBondContact O-OG 2.95Å; K165-S168 PolarHBondContact O-N 3.49Å; I166-S168 PolarHBondContact O-N 3.29Å; S168-L172 VanDerWaalsContact O-CB 3.3Å; S168-L172 WeakPolarHBondContact O-CB 3.45Å; S168-L172 PolarHBondContact O-N 3.44Å
169R84.6Confident78.7Confident97 Ų9760.1 Ų60.137%0.36631%0.31SS..Hα-helixtrans-63.9-47.7176.8176.365.1174.3153.86.6111.7K165 I166 K167 L172 V173 E224 M228K165-R169 WeakPolarHBondContact O-CB 3.44Å; K165-R169 PolarHBondContact O-N 3.48Å; I166-R169 WeakPolarHBondContact O-CB 3.45Å; I166-R169 PolarHBondContact O-N 2.92Å; I166-R169 VanDerWaalsContact O-N 3.11Å; K167-R169 VanDerWaalsContact C-N 3.31Å; K167-R169 PolarHBondContact O-N 2.89Å; R169-L172 PolarHBondContact O-N 2.82Å; R169-V173 HydrophobicContact CG-CG2 4.47Å; R169-V173 WeakPolarHBondContact O-CG2 3.2Å; R169-V173 PolarHBondContact O-N 3.13Å; R169-E224 IonicContact CZ-OE1 3.82Å; R169-E224 IonicContact NE-OE1 3.88Å; R169-E224 IonicContact NE-OE2 3.9Å; R169-E224 IonicContact NH2-OE1 2.92Å; R169-E224 PolarHBondContact NH2-OE1 3.32Å; R169-E224 IonicContact NH2-OE2 3.99Å; R169-M228 HydrophobicContact CB-CE 3.85Å; R169-M228 HydrophobicContact CB-SD 3.66Å; R169-M228 HydrophobicContact CG-CE 4.25Å; R169-M228 HydrophobicContact CG-SD 3.53Å; R169-M228 VanDerWaalsContact CG-SD 3.53Å
170I81.1Confident77.4Confident5 Ų562.3 Ų62.33%0.02634%0.335CS..Hα-helixtrans-62.8-46-179.6-67.6-179.9000109.9L141 I143 I166 K167 L172 V173 S174 I192 L221L141-I170 HydrophobicContact CD2-CD1 4.18Å; I143-I170 HydrophobicContact CD1-CD1 3.45Å; I143-I170 VanDerWaalsContact CD1-CD1 3.45Å; I143-I170 HydrophobicContact CD1-CG2 4.35Å; I166-I170 HydrophobicContact CG2-CD1 3.48Å; I166-I170 VanDerWaalsContact CG2-CD1 3.48Å; I166-I170 HydrophobicContact CG2-CG1 4.01Å; I166-I170 WeakPolarHBondContact O-CG1 3.31Å; I166-I170 PolarHBondContact O-N 3.4Å; K167-I170 PolarHBondContact O-N 2.87Å; I170-L172 VanDerWaalsContact C-N 3.32Å; I170-L172 PolarHBondContact O-N 3.1Å; I170-V173 PolarHBondContact O-N 2.81Å; I170-S174 WeakPolarHBondContact O-CB 3.31Å; I170-S174 PolarHBondContact O-N 3.12Å; I170-S174 PolarHBondContact O-OG 3.03Å; I170-I192 HydrophobicContact CB-CD1 4.01Å; I170-I192 HydrophobicContact CG2-CD1 3.68Å; I170-L221 HydrophobicContact CD1-CD2 4.47Å; I170-L221 HydrophobicContact CG1-CD2 4.33Å; I170-L221 HydrophobicContact CG2-CD2 4.06Å
171V80.4Confident76.1Confident22 Ų2266.2 Ų66.213%0.13335%0.349CS..Hα-helixtrans-58.4-43.7175170.80000111.5K167 S174 K175 F185 V187 I192K167-V171 WeakPolarHBondContact O-CB 3.43Å; K167-V171 VanDerWaalsContact O-CG2 3.3Å; K167-V171 WeakPolarHBondContact O-CG2 3.26Å; K167-V171 PolarHBondContact O-N 3.35Å; V171-S174 PolarHBondContact O-N 2.89Å; V171-K175 HydrophobicContact CG1-CD 4.11Å; V171-K175 HydrophobicContact CG1-CG 4.38Å; V171-K175 WeakPolarHBondContact O-CB 3.18Å; V171-K175 WeakPolarHBondContact O-CG 3.33Å; V171-K175 PolarHBondContact O-N 3.38Å; V171-F185 HydrophobicContact CG1-CE2 4.28Å; V171-V187 HydrophobicContact CG2-CG1 4.3Å; V171-V187 HydrophobicContact CG2-CG2 3.77Å; V171-I192 HydrophobicContact CG2-CD1 3.99Å; V171-I192 HydrophobicContact CG2-CG1 4.43Å
172L80.4Confident74.9Confident103 Ų10366.7 Ų66.754%0.53936%0.358SS..Hα-helixtrans-63.8-45.1178.7-178.866.9000112.1S168 R169 I170 S174 K175 S176S168-L172 VanDerWaalsContact O-CB 3.3Å; S168-L172 WeakPolarHBondContact O-CB 3.45Å; S168-L172 PolarHBondContact O-N 3.44Å; R169-L172 PolarHBondContact O-N 2.82Å; I170-L172 VanDerWaalsContact C-N 3.32Å; I170-L172 PolarHBondContact O-N 3.1Å; L172-S174 VanDerWaalsContact C-N 3.33Å; L172-K175 PolarHBondContact O-N 2.82Å; L172-S176 WeakPolarHBondContact O-CB 3.2Å; L172-S176 PolarHBondContact O-N 3.32Å
173V75.5Confident74Confident35 Ų3573.2 Ų73.221%0.21239%0.389CS..Hα-helixtrans-61.8-43.9176.8170.80000110.4R169 I170 R177R169-V173 HydrophobicContact CG-CG2 4.47Å; R169-V173 WeakPolarHBondContact O-CG2 3.2Å; R169-V173 PolarHBondContact O-N 3.13Å; I170-V173 PolarHBondContact O-N 2.81Å; V173-R177 WeakPolarHBondContact O-CB 3.44Å; V173-R177 WeakPolarHBondContact O-CG 3.33Å; V173-R177 PolarHBondContact O-N 2.79Å
174S74.3Confident73.2Confident4 Ų474.9 Ų74.93%0.02840%0.396CS..Hα-helixtrans-59.7-51.4175-60.80000111.3I170 V171 L172 S176 R177 L178 F194I170-S174 WeakPolarHBondContact O-CB 3.31Å; I170-S174 PolarHBondContact O-N 3.12Å; I170-S174 PolarHBondContact O-OG 3.03Å; V171-S174 PolarHBondContact O-N 2.89Å; L172-S174 VanDerWaalsContact C-N 3.33Å; S174-S176 PolarHBondContact O-N 3.38Å; S174-R177 PolarHBondContact O-N 2.96Å; S174-L178 WeakPolarHBondContact O-CB 3.46Å; S174-L178 WeakPolarHBondContact O-CG 3.29Å; S174-L178 PolarHBondContact O-N 2.86Å; S174-F194 WeakPolarHBondContact OG-CZ 3.41Å
175K74.4Confident72.8Confident122 Ų12274 Ų7453%0.5338%0.384SS..Hα-helixtrans-58-51.3179.4-74.5-177.1177.7-175.10112.6V171 L172 R177 L178 D179 F185V171-K175 HydrophobicContact CG1-CD 4.11Å; V171-K175 HydrophobicContact CG1-CG 4.38Å; V171-K175 WeakPolarHBondContact O-CB 3.18Å; V171-K175 WeakPolarHBondContact O-CG 3.33Å; V171-K175 PolarHBondContact O-N 3.38Å; L172-K175 PolarHBondContact O-N 2.82Å; K175-R177 PolarHBondContact O-N 3.39Å; K175-R177 VanDerWaalsContact O-N 3.15Å; K175-L178 CarbonylContact O-C 3.6Å; K175-L178 PolarHBondContact O-N 2.92Å; K175-L178 VanDerWaalsContact O-N 3.1Å; K175-D179 PolarHBondContact O-N 3Å; K175-F185 HydrophobicContact CG-CE1 4.5Å; K175-F185 HydrophobicContact CG-CZ 3.9Å
176S71.3Confident72.5Confident78 Ų7871 Ų7155%0.54538%0.379SS..Hα-helixtrans-60.3-26.8-178.3170.80000113.6L172 S174L172-S176 WeakPolarHBondContact O-CB 3.2Å; L172-S176 PolarHBondContact O-N 3.32Å; S174-S176 PolarHBondContact O-N 3.38Å
177R65.4Low72.3Confident192 Ų19274.2 Ų74.273%0.72540%0.398SS*.Hα-helixtrans-94.6-23-178.9-65.1-78.1-168.1164.82.4111.2V173 S174 K175 F214V173-R177 WeakPolarHBondContact O-CB 3.44Å; V173-R177 WeakPolarHBondContact O-CG 3.33Å; V173-R177 PolarHBondContact O-N 2.79Å; S174-R177 PolarHBondContact O-N 2.96Å; K175-R177 PolarHBondContact O-N 3.39Å; K175-R177 VanDerWaalsContact O-N 3.15Å; R177-F214 HydrophobicContact CB-CD2 3.97Å; R177-F214 HydrophobicContact CB-CE2 3.02Å; R177-F214 HydrophobicContact CB-CZ 3.45Å; R177-F214 VanDerWaalsContact CB-CZ 3.45Å; R177-F214 HydrophobicContact CG-CE2 4.32Å; R177-F214 HydrophobicContact CG-CZ 4.41Å; R177-F214 VanDerWaalsContact O-CD2 3.29Å; R177-F214 WeakPolarHBondContact O-CD2 3.47Å; R177-F214 VanDerWaalsContact O-CE2 3.31Å; R177-F214 WeakPolarHBondContact O-CE2 3.5Å
178L64.4Low72.1Confident12 Ų1275 Ų756%0.06341%0.409CS..SBendtrans-97.913.2-177-72.3173.2000112.2S174 K175 G180 F181 E184 F185 L208 F214S174-L178 WeakPolarHBondContact O-CB 3.46Å; S174-L178 WeakPolarHBondContact O-CG 3.29Å; S174-L178 PolarHBondContact O-N 2.86Å; K175-L178 CarbonylContact O-C 3.6Å; K175-L178 PolarHBondContact O-N 2.92Å; K175-L178 VanDerWaalsContact O-N 3.1Å; L178-G180 PolarHBondContact O-N 2.91Å; L178-F181 PolarHBondContact O-N 2.85Å; L178-E184 HydrophobicContact CD1-CB 4.24Å; L178-F185 HydrophobicContact CD1-CD1 3.56Å; L178-F185 HydrophobicContact CD1-CE1 3.6Å; L178-L208 HydrophobicContact CD1-CD1 3.86Å; L178-L208 HydrophobicContact CD2-CB 3.79Å; L178-L208 HydrophobicContact CD2-CD1 4.04Å; L178-L208 HydrophobicContact CG-CD1 4.22Å; L178-F214 HydrophobicContact CB-CE2 4.19Å; L178-F214 HydrophobicContact CD1-CE2 4.49Å; L178-F214 HydrophobicContact CD2-CB 4.46Å; L178-F214 HydrophobicContact CD2-CD1 4.41Å; L178-F214 HydrophobicContact CD2-CD2 3.36Å; L178-F214 HydrophobicContact CD2-CE2 3.43Å; L178-F214 VanDerWaalsContact CD2-CE2 3.43Å; L178-F214 HydrophobicContact CD2-CG 3.85Å; L178-F214 HydrophobicContact CD2-CZ 4.09Å; L178-F214 HydrophobicContact CG-CD2 3.86Å; L178-F214 HydrophobicContact CG-CE2 3.36Å; L178-F214 HydrophobicContact CG-CZ 3.88Å
179D55Low71.8Confident136 Ų13675.7 Ų75.773%0.72741%0.414SS*.THydrogen-bonded Turntrans-42.9108.4-176.7-91.5-13.8000110.9K175K175-D179 PolarHBondContact O-N 3Å
180G54.9Low71.8Confident65 Ų6572.7 Ų72.767%0.6741%0.405SS*.THydrogen-bonded Turntrans121.2-14.4-176.500000116.4L178L178-G180 PolarHBondContact O-N 2.91Å
181F55Low71.9Confident109 Ų10975 Ų7548%0.47842%0.417SS..  trans-131.983-170.8-60.8-85.2000113.5L178 E183 E184L178-F181 PolarHBondContact O-N 2.85Å; F181-E183 PolarHBondContact O-N 3.21Å; F181-E184 HydrophobicContact CB-CG 3.72Å
182P56.9Low72Confident117 Ų11773.9 Ų73.976%0.7641%0.41SS*.THydrogen-bonded Turntrans-70.1-13.4-177.227.2-33.5000114.5
183E66.3Low72.1Confident143 Ų14371.7 Ų71.767%0.66840%0.397SS*.THydrogen-bonded Turntrans-97.11.3-173.6-59-170.3-179.400114.9F181 F185 K195F181-E183 PolarHBondContact O-N 3.21Å; E183-F185 VanDerWaalsContact C-N 3.34Å; E183-F185 PolarHBondContact O-N 2.97Å; E183-K195 VanDerWaalsContact O-CD 3.29Å; E183-K195 WeakPolarHBondContact O-CD 3.48Å; E183-K195 WeakPolarHBondContact O-CE 3.09Å; E183-K195 PolarHBondContact O-NZ 2.91Å; E183-K195 IonicContact OE2-NZ 2.79Å
184E70.3Confident72.2Confident37 Ų3770.2 Ų70.217%0.17339%0.388CS..SBendtrans-78.6-16.3-172.2-68-62.3157.500114.3L178 F181 K195L178-E184 HydrophobicContact CD1-CB 4.24Å; F181-E184 HydrophobicContact CB-CG 3.72Å; E184-K195 PolarHBondContact O-N 3.28Å
185F73.6Confident72.1Confident29 Ų2973.5 Ų73.513%0.12740%0.402CS..EExtended strand (participates in β ladder)trans-150.3149175.968.7-79.6000111.9V171 K175 L178 E183 V187 I192 Q193 F194V171-F185 HydrophobicContact CG1-CE2 4.28Å; K175-F185 HydrophobicContact CG-CE1 4.5Å; K175-F185 HydrophobicContact CG-CZ 3.9Å; L178-F185 HydrophobicContact CD1-CD1 3.56Å; L178-F185 HydrophobicContact CD1-CE1 3.6Å; E183-F185 VanDerWaalsContact C-N 3.34Å; E183-F185 PolarHBondContact O-N 2.97Å; F185-V187 HydrophobicContact CD2-CG2 3.71Å; F185-V187 HydrophobicContact CE2-CG2 3.6Å; F185-I192 HydrophobicContact CD2-CG2 4.22Å; F185-Q193 CarbonylContact C-O 3.55Å; F185-Q193 WeakPolarHBondContact CA-O 3.3Å; F185-Q193 WeakPolarHBondContact CB-O 3.35Å; F185-F194 HydrophobicContact CB-CB 4.46Å; F185-F194 HydrophobicContact CB-CD1 3.47Å; F185-F194 VanDerWaalsContact CB-CD1 3.47Å; F185-F194 HydrophobicContact CB-CE1 3.82Å; F185-F194 HydrophobicContact CB-CG 4.02Å; F185-F194 HydrophobicContact CD1-CE1 4.26Å; F185-F194 HydrophobicContact CG-CD1 4.15Å; F185-F194 AromaticContact CG-CE1 4Å; F185-F194 HydrophobicContact CG-CE1 4Å
186S80.9Confident71.4Confident63 Ų6371.7 Ų71.744%0.44139%0.392SS..EExtended strand (participates in β ladder)trans-110.6147.3171.8710000110.1Q193S186-Q193 PolarHBondContact N-O 3.1Å; S186-Q193 PolarHBondContact O-N 3.02Å
187V82.3Confident70.9Confident66 Ų6669.6 Ų69.640%0.437%0.373SS..EExtended strand (participates in β ladder)trans-121117.4178.7-1770000107.8V171 F185V171-V187 HydrophobicContact CG2-CG1 4.3Å; V171-V187 HydrophobicContact CG2-CG2 3.77Å; F185-V187 HydrophobicContact CD2-CG2 3.71Å; F185-V187 HydrophobicContact CE2-CG2 3.6Å
188S81.9Confident70.2Confident60 Ų6063.6 Ų63.642%0.4236%0.355SS..  trans-107.2-170.6170.176.10000110.1K167 N190 I191K167-S188 VanDerWaalsContact CE-O 3.3Å; K167-S188 WeakPolarHBondContact CE-O 3.36Å; K167-S188 PolarHBondContact NZ-O 2.94Å; S188-N190 PolarHBondContact O-N 3.15Å; S188-I191 PolarHBondContact N-O 2.87Å; S188-I191 VanDerWaalsContact OG-CB 3.31Å; S188-I191 WeakPolarHBondContact OG-CB 3.24Å; S188-I191 PolarHBondContact OG-N 3.27Å; S188-I191 PolarHBondContact OG-O 3.37Å
189S78.4Confident69.4Low94 Ų9470.2 Ų70.266%0.65738%0.383SS*.SBendtrans-52.7-53.9-176.1-54.10000112.7K167K167-S189 PolarHBondContact NZ-O 3.25Å
190N83.9Confident69Low35 Ų3565.7 Ų65.719%0.18736%0.362CS..SBendtrans-122.35.6-174-56.77.6000112.4T138 F140 E142 S188T138-N190 HydrophobicContact CG2-CB 4.41Å; T138-N190 WeakPolarHBondContact CG2-OD1 3.31Å; F140-N190 HydrophobicContact CE2-CB 4.23Å; F140-N190 HydrophobicContact CZ-CB 4.29Å; E142-N190 PolarHBondContact N-O 3.45Å; S188-N190 PolarHBondContact O-N 3.15Å
191I83.9Confident68.6Low52 Ų5271.9 Ų71.927%0.26737%0.374SS..EExtended strand (participates in β ladder)trans-125.9132-173.6-47.1177.2000109.7E142 S188 Q193E142-I191 HydrophobicContact CB-CG1 4.35Å; E142-I191 CarbonylContact O-C 3.55Å; E142-I191 VanDerWaalsContact O-CA 3.25Å; E142-I191 WeakPolarHBondContact O-CA 3.22Å; S188-I191 PolarHBondContact N-O 2.87Å; S188-I191 VanDerWaalsContact OG-CB 3.31Å; S188-I191 WeakPolarHBondContact OG-CB 3.24Å; S188-I191 PolarHBondContact OG-N 3.27Å; S188-I191 PolarHBondContact OG-O 3.37Å; I191-Q193 HydrophobicContact CG2-CB 4.29Å
192I83.9Confident68.3Low0 Ų073.7 Ų73.70%039%0.388CS..EExtended strand (participates in β ladder)trans-108.4109.5163-57.9172.7000105.9L141 E142 I143 T144 K167 I170 V171 F185 F194L141-I192 HydrophobicContact CD1-CD1 4.26Å; L141-I192 HydrophobicContact CD1-CG1 4.23Å; E142-I192 PolarHBondContact O-N 3.4Å; I143-I192 VanDerWaalsContact CA-O 3.31Å; I143-I192 WeakPolarHBondContact CA-O 3.49Å; T144-I192 PolarHBondContact N-O 2.89Å; K167-I192 HydrophobicContact CG-CD1 4.14Å; K167-I192 HydrophobicContact CG-CG1 4.42Å; I170-I192 HydrophobicContact CB-CD1 4.01Å; I170-I192 HydrophobicContact CG2-CD1 3.68Å; V171-I192 HydrophobicContact CG2-CD1 3.99Å; V171-I192 HydrophobicContact CG2-CG1 4.43Å; F185-I192 HydrophobicContact CD2-CG2 4.22Å; I192-F194 HydrophobicContact CG2-CD2 4.22Å; I192-F194 HydrophobicContact CG2-CE2 3.58Å; I192-F194 HydrophobicContact CG2-CZ 3.86Å
193Q81.8Confident68.1Low56 Ų5670 Ų7026%0.26237%0.371SS..EExtended strand (participates in β ladder)trans-107.7115.8-176.1-171.7-179.90.900109.4T144 F185 S186 I191T144-Q193 CarbonylContact O-C 3.36Å; T144-Q193 WeakPolarHBondContact O-CA 3.47Å; F185-Q193 CarbonylContact C-O 3.55Å; F185-Q193 WeakPolarHBondContact CA-O 3.3Å; F185-Q193 WeakPolarHBondContact CB-O 3.35Å; S186-Q193 PolarHBondContact N-O 3.1Å; S186-Q193 PolarHBondContact O-N 3.02Å; I191-Q193 HydrophobicContact CG2-CB 4.29Å
194F77.3Confident67.3Low5 Ų564.7 Ų64.72%0.02235%0.349CS..EExtended strand (participates in β ladder)trans-90.8152.4174-62.6-92.9000110.4I143 T144 D145 S146 S174 F185 I192 F197 L208I143-F194 HydrophobicContact CG2-CD2 4Å; I143-F194 HydrophobicContact CG2-CE2 3.61Å; T144-F194 PolarHBondContact O-N 2.72Å; D145-F194 CarbonylContact C-O 3.48Å; S146-F194 WeakPolarHBondContact CB-O 3.39Å; S146-F194 PolarHBondContact N-O 3.12Å; S174-F194 WeakPolarHBondContact OG-CZ 3.41Å; F185-F194 HydrophobicContact CB-CB 4.46Å; F185-F194 HydrophobicContact CB-CD1 3.47Å; F185-F194 VanDerWaalsContact CB-CD1 3.47Å; F185-F194 HydrophobicContact CB-CE1 3.82Å; F185-F194 HydrophobicContact CB-CG 4.02Å; F185-F194 HydrophobicContact CD1-CE1 4.26Å; F185-F194 HydrophobicContact CG-CD1 4.15Å; F185-F194 AromaticContact CG-CE1 4Å; F185-F194 HydrophobicContact CG-CE1 4Å; I192-F194 HydrophobicContact CG2-CD2 4.22Å; I192-F194 HydrophobicContact CG2-CE2 3.58Å; I192-F194 HydrophobicContact CG2-CZ 3.86Å; F194-F197 HydrophobicContact CB-CD2 4.34Å; F194-F197 HydrophobicContact CB-CE2 3.87Å; F194-F197 HydrophobicContact CD2-CE2 4.16Å; F194-F197 HydrophobicContact CD2-CZ 4.43Å; F194-F197 HydrophobicContact CG-CE2 4.43Å; F194-L208 HydrophobicContact CB-CD2 3.87Å; F194-L208 HydrophobicContact CD1-CD1 3.52Å; F194-L208 HydrophobicContact CD1-CD2 3.37Å; F194-L208 HydrophobicContact CD1-CG 4.12Å; F194-L208 HydrophobicContact CE1-CD1 3.41Å; F194-L208 VanDerWaalsContact CE1-CD1 3.41Å; F194-L208 HydrophobicContact CE1-CD2 4.09Å; F194-L208 HydrophobicContact CE1-CG 4.43Å; F194-L208 HydrophobicContact CG-CD2 3.8Å; F194-L208 HydrophobicContact CZ-CD1 4.42Å
195K71.3Confident66.2Low72 Ų7267.9 Ų67.931%0.31336%0.359SS..SBendtrans-65.9-42.5178.1-80.8-177.3172.6164.20112.8S146 H147 E183 E184S146-K195 PolarHBondContact OG-O 3.37Å; H147-K195 PolarHBondContact CD2-O 2.94Å; E183-K195 VanDerWaalsContact O-CD 3.29Å; E183-K195 WeakPolarHBondContact O-CD 3.48Å; E183-K195 WeakPolarHBondContact O-CE 3.09Å; E183-K195 PolarHBondContact O-NZ 2.91Å; E183-K195 IonicContact OE2-NZ 2.79Å; E184-K195 PolarHBondContact O-N 3.28Å
196Y61.4Low65.2Low85 Ų8566.7 Ų66.733%0.33335%0.354SS..  trans-134.1135.3-173.9-56.9-77.8000113.9D145 H147D145-Y196 WeakPolarHBondContact OD2-CA 2.89Å; D145-Y196 PolarHBondContact OD2-N 3.46Å; H147-Y196 AromaticContact CD2-CD1 3.67Å; H147-Y196 AromaticContact CD2-CE1 3.79Å; H147-Y196 AromaticContact NE2-CD1 3.71Å; H147-Y196 AromaticContact NE2-CE1 3.32Å; H147-Y196 VanDerWaalsContact NE2-CE1 3.32Å; H147-Y196 WeakPolarHBondContact NE2-CE1 3.32Å
197F60.6Low63.8Low33 Ų3364 Ų6415%0.14534%0.335CS..  trans-118.6115.4167.9-81.2-127.9000109T144 D145 Q151 F194 L206T144-F197 WeakPolarHBondContact O-CE2 3.45Å; D145-F197 HydrophobicContact CB-CB 3.84Å; D145-F197 HydrophobicContact CB-CD1 4.23Å; D145-F197 HydrophobicContact CB-CD2 3.12Å; D145-F197 HydrophobicContact CB-CE2 3.54Å; D145-F197 HydrophobicContact CB-CG 3.49Å; D145-F197 VanDerWaalsContact CB-CG 3.49Å; D145-F197 HydrophobicContact CB-CZ 4.29Å; D145-F197 VanDerWaalsContact CG-CD2 3.42Å; D145-F197 WeakPolarHBondContact OD2-CD2 3.4Å; D145-F197 PolarHBondContact OD2-N 3.02Å; Q151-F197 HydrophobicContact CB-CD1 4.34Å; Q151-F197 WeakPolarHBondContact O-CD1 3.15Å; Q151-F197 WeakPolarHBondContact O-CE1 3.45Å; F194-F197 HydrophobicContact CB-CD2 4.34Å; F194-F197 HydrophobicContact CB-CE2 3.87Å; F194-F197 HydrophobicContact CD2-CE2 4.16Å; F194-F197 HydrophobicContact CD2-CZ 4.43Å; F194-F197 HydrophobicContact CG-CE2 4.43Å; F197-L206 HydrophobicContact CD1-CD2 3.11Å; F197-L206 HydrophobicContact CD2-CD2 4.43Å; F197-L206 HydrophobicContact CE1-CD2 3.16Å; F197-L206 HydrophobicContact CG-CD2 3.83Å; F197-L206 HydrophobicContact CZ-CD2 3.95Å
198I50.9Low62.4Low67 Ų6761.1 Ų61.134%0.34432%0.317SS..  trans-115.8108.4-178.5-53.9178.5000111.1S200 R205 V207I198-S200 PolarHBondContact O-N 2.86Å; I198-R205 CarbonylContact C-O 3.49Å; I198-V207 HydrophobicContact CB-CB 4.12Å; I198-V207 HydrophobicContact CB-CG2 4.33Å; I198-V207 HydrophobicContact CD1-CB 4.23Å; I198-V207 HydrophobicContact CD1-CG1 4.41Å; I198-V207 HydrophobicContact CG1-CB 4.4Å
199K46.7Very low60.7Low151 Ų15161.6 Ų61.666%0.65731%0.312SS*.  trans-69.4129.3177.4-162.7174.1-175.4174.50111.1
200S47.6Very low59.2Low40 Ų4065 Ų6528%0.2832%0.318SS..BIsolated β-bridgetrans-99.9153.6169.3177.60000110.1I198 N202 G203 R205I198-S200 PolarHBondContact O-N 2.86Å; S200-N202 PolarHBondContact O-N 3.4Å; S200-G203 PolarHBondContact O-N 2.91Å; S200-G203 VanDerWaalsContact O-N 3.11Å; S200-R205 VanDerWaalsContact CB-CD 3.44Å; S200-R205 PolarHBondContact OG-NE 2.74Å
201E45.8Very low57.7Low196 Ų19667 Ų6792%0.91633%0.328SS*.THydrogen-bonded Turntrans-55.1-24.7-178-66-17615700114.1
202N48.3Very low56.3Low147 Ų14769.3 Ų69.379%0.78634%0.341SS*.THydrogen-bonded Turntrans-98.419.5-179.3-70.9-3.7000114.6S200S200-N202 PolarHBondContact O-N 3.4Å
203G52.1Low54.8Low39 Ų3973.9 Ų73.940%0.40237%0.369SS..BIsolated β-bridgetrans114.9154.4-177.900000112.7S200 R205S200-G203 PolarHBondContact O-N 2.91Å; S200-G203 VanDerWaalsContact O-N 3.11Å; G203-R205 PolarHBondContact O-N 3.4Å
204T49.6Very low53.4Low31 Ų3172 Ų7219%0.1936%0.36CS..  trans-57.9101.1-169.9-42.70000112L218T204-L218 HydrophobicContact CG2-CB 4.38Å; T204-L218 HydrophobicContact CG2-CD2 4.27Å
205R47.5Very low52.3Low104 Ų10475.8 Ų75.839%0.39238%0.383SS..EExtended strand (participates in β ladder)trans-86.8132.5169.5-62.5-176.3-172.6-167.1-1.1107.2I198 S200 G203 V207 T217I198-R205 CarbonylContact C-O 3.49Å; S200-R205 VanDerWaalsContact CB-CD 3.44Å; S200-R205 PolarHBondContact OG-NE 2.74Å; G203-R205 PolarHBondContact O-N 3.4Å; R205-V207 HydrophobicContact CB-CG2 4.02Å; R205-V207 PolarHBondContact O-N 2.68Å; R205-T217 HydrophobicContact CG-CG2 4.26Å
206L53Low52Low4 Ų473.1 Ų73.12%0.02137%0.373CS..EExtended strand (participates in β ladder)trans-90103.6164-39.8162.4000104.7F197 C216 L218 L221F197-L206 HydrophobicContact CD1-CD2 3.11Å; F197-L206 HydrophobicContact CD2-CD2 4.43Å; F197-L206 HydrophobicContact CE1-CD2 3.16Å; F197-L206 HydrophobicContact CG-CD2 3.83Å; F197-L206 HydrophobicContact CZ-CD2 3.95Å; L206-C216 CarbonylContact C-O 3.49Å; L206-C216 WeakPolarHBondContact CA-O 3.37Å; L206-C216 WeakPolarHBondContact CB-O 3.44Å; L206-C216 WeakPolarHBondContact CD1-O 3.25Å; L206-C216 WeakPolarHBondContact CG-O 3.46Å; L206-C216 PolarHBondContact N-O 2.82Å; L206-C216 PolarHBondContact O-N 3.07Å; L206-L218 HydrophobicContact CD2-CB 4.45Å; L206-L221 HydrophobicContact CD1-CD1 3.46Å; L206-L221 VanDerWaalsContact CD1-CD1 3.46Å; L206-L221 HydrophobicContact CD1-CG 4.24Å
207V51Low52.3Low6 Ų670.7 Ų70.74%0.03637%0.368CS..EExtended strand (participates in β ladder)trans-95.4109.6175.2-178.40000107.8I198 R205 K209 N212 F214I198-V207 HydrophobicContact CB-CB 4.12Å; I198-V207 HydrophobicContact CB-CG2 4.33Å; I198-V207 HydrophobicContact CD1-CB 4.23Å; I198-V207 HydrophobicContact CD1-CG1 4.41Å; I198-V207 HydrophobicContact CG1-CB 4.4Å; R205-V207 HydrophobicContact CB-CG2 4.02Å; R205-V207 PolarHBondContact O-N 2.68Å; V207-K209 WeakPolarHBondContact CG1-O 3.23Å; V207-K209 PolarHBondContact O-N 2.79Å; V207-N212 VanDerWaalsContact CG1-CA 3.47Å; V207-N212 HydrophobicContact CG1-CB 4.29Å; V207-F214 VanDerWaalsContact CA-O 3.23Å; V207-F214 WeakPolarHBondContact CA-O 2.93Å
208L52.5Low52.9Low6 Ų669.4 Ų69.43%0.03136%0.362CS..  trans-93.842.7-179.8-54.1-177.6000111.5L178 F194 F214L178-L208 HydrophobicContact CD1-CD1 3.86Å; L178-L208 HydrophobicContact CD2-CB 3.79Å; L178-L208 HydrophobicContact CD2-CD1 4.04Å; L178-L208 HydrophobicContact CG-CD1 4.22Å; F194-L208 HydrophobicContact CB-CD2 3.87Å; F194-L208 HydrophobicContact CD1-CD1 3.52Å; F194-L208 HydrophobicContact CD1-CD2 3.37Å; F194-L208 HydrophobicContact CD1-CG 4.12Å; F194-L208 HydrophobicContact CE1-CD1 3.41Å; F194-L208 VanDerWaalsContact CE1-CD1 3.41Å; F194-L208 HydrophobicContact CE1-CD2 4.09Å; F194-L208 HydrophobicContact CE1-CG 4.43Å; F194-L208 HydrophobicContact CG-CD2 3.8Å; F194-L208 HydrophobicContact CZ-CD1 4.42Å; L208-F214 HydrophobicContact CB-CB 3.98Å; L208-F214 HydrophobicContact CB-CD1 3.42Å; L208-F214 VanDerWaalsContact CB-CD1 3.42Å; L208-F214 HydrophobicContact CB-CE1 4.01Å; L208-F214 HydrophobicContact CB-CG 3.76Å; L208-F214 HydrophobicContact CD1-CD1 3.56Å; L208-F214 HydrophobicContact CD1-CE1 3.18Å; L208-F214 HydrophobicContact CD1-CE2 4.42Å; L208-F214 HydrophobicContact CD1-CG 4.38Å; L208-F214 HydrophobicContact CD1-CZ 3.67Å; L208-F214 HydrophobicContact CG-CD1 3.44Å; L208-F214 VanDerWaalsContact CG-CD1 3.44Å; L208-F214 HydrophobicContact CG-CE1 3.6Å; L208-F214 HydrophobicContact CG-CG 4.28Å; L208-F214 HydrophobicContact CG-CZ 4.48Å; L208-F214 PolarHBondContact N-O 2.9Å
209K46.9Very low54Low71 Ų7171.2 Ų71.231%0.30937%0.369SS..SBendtrans-165.5145.3169.3-159.9158.9156.3-143.60111.8V207 D211 N212 T213V207-K209 WeakPolarHBondContact CG1-O 3.23Å; V207-K209 PolarHBondContact O-N 2.79Å; K209-D211 VanDerWaalsContact CB-OD1 3.31Å; K209-D211 WeakPolarHBondContact CB-OD1 3.16Å; K209-D211 WeakPolarHBondContact CD-OD1 2.85Å; K209-D211 VanDerWaalsContact CE-OD1 3.27Å; K209-D211 WeakPolarHBondContact CE-OD1 3.44Å; K209-D211 WeakPolarHBondContact CE-OD2 3.42Å; K209-D211 WeakPolarHBondContact CG-OD1 3.11Å; K209-D211 VanDerWaalsContact NZ-CG 3.34Å; K209-D211 IonicContact NZ-OD1 2.83Å; K209-D211 PolarHBondContact NZ-OD1 3.49Å; K209-D211 IonicContact NZ-OD2 3.25Å; K209-D211 PolarHBondContact NZ-OD2 2.91Å; K209-D211 PolarHBondContact O-N 2.75Å; K209-D211 VanDerWaalsContact O-N 3.07Å; K209-N212 PolarHBondContact O-N 3.45Å; K209-T213 VanDerWaalsContact CD-OG1 3.3Å; K209-T213 WeakPolarHBondContact CD-OG1 3.31Å; K209-T213 PolarHBondContact NZ-OG1 3.01Å; K209-T213 VanDerWaalsContact NZ-OG1 3.08Å
210E47.4Very low55.4Low166 Ų16667.2 Ų67.278%0.77636%0.358SS*.THydrogen-bonded Turntrans-56.4-22.2173.4-76.2-174.8152.500113.7
211D52.1Low56.8Low77 Ų7765.6 Ų65.641%0.41235%0.345SS..THydrogen-bonded Turntrans-101.79.4-174.778.4-11.9000115.2K209 T213K209-D211 VanDerWaalsContact CB-OD1 3.31Å; K209-D211 WeakPolarHBondContact CB-OD1 3.16Å; K209-D211 WeakPolarHBondContact CD-OD1 2.85Å; K209-D211 VanDerWaalsContact CE-OD1 3.27Å; K209-D211 WeakPolarHBondContact CE-OD1 3.44Å; K209-D211 WeakPolarHBondContact CE-OD2 3.42Å; K209-D211 WeakPolarHBondContact CG-OD1 3.11Å; K209-D211 VanDerWaalsContact NZ-CG 3.34Å; K209-D211 IonicContact NZ-OD1 2.83Å; K209-D211 PolarHBondContact NZ-OD1 3.49Å; K209-D211 IonicContact NZ-OD2 3.25Å; K209-D211 PolarHBondContact NZ-OD2 2.91Å; K209-D211 PolarHBondContact O-N 2.75Å; K209-D211 VanDerWaalsContact O-N 3.07Å; D211-T213 VanDerWaalsContact C-N 3.33Å; D211-T213 VanDerWaalsContact CG-OG1 3.28Å; D211-T213 PolarHBondContact O-N 2.77Å; D211-T213 WeakPolarHBondContact OD1-CB 3.2Å; D211-T213 PolarHBondContact OD1-N 2.83Å; D211-T213 PolarHBondContact OD1-OG1 3.28Å; D211-T213 PolarHBondContact OD2-OG1 3.26Å
212N53.9Low58.6Low100 Ų10056.7 Ų56.754%0.53530%0.304SS..SBendtrans67.713.3-179.7-58.6-43.7000117.6V207 K209V207-N212 VanDerWaalsContact CG1-CA 3.47Å; V207-N212 HydrophobicContact CG1-CB 4.29Å; K209-N212 PolarHBondContact O-N 3.45Å
213T52.2Low60.3Low95 Ų9555.8 Ų55.858%0.58329%0.293SS*.  trans-82.8-16.3-176.846.50000116.3K209 D211K209-T213 VanDerWaalsContact CD-OG1 3.3Å; K209-T213 WeakPolarHBondContact CD-OG1 3.31Å; K209-T213 PolarHBondContact NZ-OG1 3.01Å; K209-T213 VanDerWaalsContact NZ-OG1 3.08Å; D211-T213 VanDerWaalsContact C-N 3.33Å; D211-T213 VanDerWaalsContact CG-OG1 3.28Å; D211-T213 PolarHBondContact O-N 2.77Å; D211-T213 WeakPolarHBondContact OD1-CB 3.2Å; D211-T213 PolarHBondContact OD1-N 2.83Å; D211-T213 PolarHBondContact OD1-OG1 3.28Å; D211-T213 PolarHBondContact OD2-OG1 3.26Å
214F52.8Low61.9Low17 Ų1756.6 Ų56.68%0.07529%0.286CS..  trans-107.2123.5174.1-172.4-78.2000110.7R177 L178 V207 L208 C216R177-F214 HydrophobicContact CB-CD2 3.97Å; R177-F214 HydrophobicContact CB-CE2 3.02Å; R177-F214 HydrophobicContact CB-CZ 3.45Å; R177-F214 VanDerWaalsContact CB-CZ 3.45Å; R177-F214 HydrophobicContact CG-CE2 4.32Å; R177-F214 HydrophobicContact CG-CZ 4.41Å; R177-F214 VanDerWaalsContact O-CD2 3.29Å; R177-F214 WeakPolarHBondContact O-CD2 3.47Å; R177-F214 VanDerWaalsContact O-CE2 3.31Å; R177-F214 WeakPolarHBondContact O-CE2 3.5Å; L178-F214 HydrophobicContact CB-CE2 4.19Å; L178-F214 HydrophobicContact CD1-CE2 4.49Å; L178-F214 HydrophobicContact CD2-CB 4.46Å; L178-F214 HydrophobicContact CD2-CD1 4.41Å; L178-F214 HydrophobicContact CD2-CD2 3.36Å; L178-F214 HydrophobicContact CD2-CE2 3.43Å; L178-F214 VanDerWaalsContact CD2-CE2 3.43Å; L178-F214 HydrophobicContact CD2-CG 3.85Å; L178-F214 HydrophobicContact CD2-CZ 4.09Å; L178-F214 HydrophobicContact CG-CD2 3.86Å; L178-F214 HydrophobicContact CG-CE2 3.36Å; L178-F214 HydrophobicContact CG-CZ 3.88Å; V207-F214 VanDerWaalsContact CA-O 3.23Å; V207-F214 WeakPolarHBondContact CA-O 2.93Å; L208-F214 HydrophobicContact CB-CB 3.98Å; L208-F214 HydrophobicContact CB-CD1 3.42Å; L208-F214 VanDerWaalsContact CB-CD1 3.42Å; L208-F214 HydrophobicContact CB-CE1 4.01Å; L208-F214 HydrophobicContact CB-CG 3.76Å; L208-F214 HydrophobicContact CD1-CD1 3.56Å; L208-F214 HydrophobicContact CD1-CE1 3.18Å; L208-F214 HydrophobicContact CD1-CE2 4.42Å; L208-F214 HydrophobicContact CD1-CG 4.38Å; L208-F214 HydrophobicContact CD1-CZ 3.67Å; L208-F214 HydrophobicContact CG-CD1 3.44Å; L208-F214 VanDerWaalsContact CG-CD1 3.44Å; L208-F214 HydrophobicContact CG-CE1 3.6Å; L208-F214 HydrophobicContact CG-CG 4.28Å; L208-F214 HydrophobicContact CG-CZ 4.48Å; L208-F214 PolarHBondContact N-O 2.9Å; F214-C216 HydrophobicContact CD1-CB 4.5Å; F214-C216 HydrophobicContact CE1-CB 3.65Å; F214-C216 HydrophobicContact CZ-CB 4.43Å
215V54.7Low63.7Low85 Ų8555.1 Ų55.152%0.51528%0.278SS..EExtended strand (participates in β ladder)trans-129.198.4-177.3-1730000109.8T217V215-T217 HydrophobicContact CG1-CG2 4.21Å
216C64.1Low65.7Low15 Ų1552 Ų5210%0.10127%0.269CS..EExtended strand (participates in β ladder)trans-111.8118.1161-174.50000106.4L206 F214L206-C216 CarbonylContact C-O 3.49Å; L206-C216 WeakPolarHBondContact CA-O 3.37Å; L206-C216 WeakPolarHBondContact CB-O 3.44Å; L206-C216 WeakPolarHBondContact CD1-O 3.25Å; L206-C216 WeakPolarHBondContact CG-O 3.46Å; L206-C216 PolarHBondContact N-O 2.82Å; L206-C216 PolarHBondContact O-N 3.07Å; F214-C216 HydrophobicContact CD1-CB 4.5Å; F214-C216 HydrophobicContact CE1-CB 3.65Å; F214-C216 HydrophobicContact CZ-CB 4.43Å
217T69.2Low67.4Low35 Ų3555.3 Ų55.322%0.21528%0.284CS..EExtended strand (participates in β ladder)trans-83.3153.6179.864.60000110.4R205 V215 E219 T220 L221R205-T217 HydrophobicContact CG-CG2 4.26Å; V215-T217 HydrophobicContact CG1-CG2 4.21Å; T217-E219 PolarHBondContact O-N 3.25Å; T217-T220 WeakPolarHBondContact O-CA 3.31Å; T217-T220 WeakPolarHBondContact O-CB 3.44Å; T217-T220 PolarHBondContact O-N 3.43Å; T217-T220 PolarHBondContact OG1-N 2.88Å; T217-T220 PolarHBondContact OG1-OG1 2.77Å; T217-L221 PolarHBondContact O-N 2.8Å; T217-L221 VanDerWaalsContact O-N 3.12Å
218L72.2Confident69.2Low5 Ų556.6 Ų56.63%0.02629%0.291CS..Hα-helixtrans-54.9-37.9171.1-177.457.9000110.7L153 T204 L206 T220 L221 K222 D251L153-L218 HydrophobicContact CB-CD1 3.66Å; L153-L218 HydrophobicContact CD1-CD1 4.49Å; L153-L218 HydrophobicContact CD2-CD1 4.39Å; L153-L218 HydrophobicContact CG-CD1 4.38Å; T204-L218 HydrophobicContact CG2-CB 4.38Å; T204-L218 HydrophobicContact CG2-CD2 4.27Å; L206-L218 HydrophobicContact CD2-CB 4.45Å; L218-T220 PolarHBondContact O-N 2.77Å; L218-L221 PolarHBondContact O-N 3.44Å; L218-K222 WeakPolarHBondContact O-CG 3.45Å; L218-K222 PolarHBondContact O-N 2.81Å; L218-D251 HydrophobicContact CD2-CB 4.3Å; L218-D251 WeakPolarHBondContact CD2-OD2 3.25Å
219E73.8Confident71Confident105 Ų10556.4 Ų56.449%0.49129%0.29SS..Hα-helixtrans-60.4-38171.4-69.7-55.9130.900113.8T217 K222 F223T217-E219 PolarHBondContact O-N 3.25Å; E219-K222 PolarHBondContact O-N 3.02Å; E219-K222 IonicContact OE1-NZ 3.73Å; E219-K222 PolarHBondContact OE1-NZ 2.85Å; E219-F223 WeakPolarHBondContact O-CB 3.05Å; E219-F223 PolarHBondContact O-N 2.89Å
220T76.1Confident73Confident68 Ų6857.7 Ų57.742%0.41730%0.299SS..Hα-helixtrans-65.5-42.7176.3-56.10000110.8T217 L218 F223 E224T217-T220 WeakPolarHBondContact O-CA 3.31Å; T217-T220 WeakPolarHBondContact O-CB 3.44Å; T217-T220 PolarHBondContact O-N 3.43Å; T217-T220 PolarHBondContact OG1-N 2.88Å; T217-T220 PolarHBondContact OG1-OG1 2.77Å; L218-T220 PolarHBondContact O-N 2.77Å; T220-F223 PolarHBondContact O-N 2.62Å; T220-E224 WeakPolarHBondContact O-CB 3.27Å; T220-E224 PolarHBondContact O-N 2.79Å
221L78.8Confident75Confident5 Ų558 Ų583%0.02630%0.298CS..Hα-helixtrans-65.3-42.5175.9-66.2-178.4000111.8I143 L153 I170 L206 T217 L218 E224 A225I143-L221 HydrophobicContact CD1-CD1 4.09Å; I143-L221 HydrophobicContact CG2-CD1 4.2Å; L153-L221 HydrophobicContact CD2-CB 4.22Å; I170-L221 HydrophobicContact CD1-CD2 4.47Å; I170-L221 HydrophobicContact CG1-CD2 4.33Å; I170-L221 HydrophobicContact CG2-CD2 4.06Å; L206-L221 HydrophobicContact CD1-CD1 3.46Å; L206-L221 VanDerWaalsContact CD1-CD1 3.46Å; L206-L221 HydrophobicContact CD1-CG 4.24Å; T217-L221 PolarHBondContact O-N 2.8Å; T217-L221 VanDerWaalsContact O-N 3.12Å; L218-L221 PolarHBondContact O-N 3.44Å; L221-E224 PolarHBondContact O-N 2.81Å; L221-A225 WeakPolarHBondContact O-CB 3.07Å; L221-A225 PolarHBondContact O-N 2.81Å
222K82.8Confident76.7Confident9 Ų956.8 Ų56.84%0.03930%0.295CS..Hα-helixtrans-58-48.5173.2-73.3176.5-174.4169.60111.1L153 L218 E219 A225 I226 D251 L253L153-K222 HydrophobicContact CD1-CG 3.83Å; L153-K222 HydrophobicContact CD2-CG 4.04Å; L218-K222 WeakPolarHBondContact O-CG 3.45Å; L218-K222 PolarHBondContact O-N 2.81Å; E219-K222 PolarHBondContact O-N 3.02Å; E219-K222 IonicContact OE1-NZ 3.73Å; E219-K222 PolarHBondContact OE1-NZ 2.85Å; K222-A225 PolarHBondContact O-N 3.24Å; K222-I226 WeakPolarHBondContact O-CB 3.44Å; K222-I226 VanDerWaalsContact O-CG1 3.24Å; K222-I226 WeakPolarHBondContact O-CG1 3.16Å; K222-I226 PolarHBondContact O-N 3.03Å; K222-D251 WeakPolarHBondContact CE-OD2 3.3Å; K222-D251 IonicContact NZ-OD2 3.73Å; K222-D251 PolarHBondContact NZ-OD2 3.13Å; K222-L253 HydrophobicContact CB-CD1 4.1Å; K222-L253 HydrophobicContact CG-CD1 4.11Å
223F84.8Confident78.3Confident128 Ų12854.2 Ų54.256%0.56129%0.292SS*.Hα-helixtrans-63.4-44.7-178.7-169.5-99.4000111.9E219 T220 A225 I226 M227E219-F223 WeakPolarHBondContact O-CB 3.05Å; E219-F223 PolarHBondContact O-N 2.89Å; T220-F223 PolarHBondContact O-N 2.62Å; F223-A225 PolarHBondContact O-N 2.57Å; F223-I226 PolarHBondContact O-N 3.34Å; F223-M227 HydrophobicContact CD1-CG 3.82Å; F223-M227 HydrophobicContact CE1-CG 3.49Å; F223-M227 VanDerWaalsContact CE1-CG 3.49Å; F223-M227 HydrophobicContact CE1-SD 4.15Å; F223-M227 HydrophobicContact CE2-CG 4.28Å; F223-M227 HydrophobicContact CE2-SD 4.41Å; F223-M227 HydrophobicContact CG-CG 4.35Å; F223-M227 HydrophobicContact CZ-CG 3.74Å; F223-M227 HydrophobicContact CZ-SD 3.85Å; F223-M227 WeakPolarHBondContact O-CB 3.19Å; F223-M227 WeakPolarHBondContact O-CG 2.89Å; F223-M227 PolarHBondContact O-N 2.62Å
224E84.4Confident80.1Confident56 Ų5650.3 Ų50.326%0.26227%0.267SS..Hα-helixtrans-59.2-46.2173.9-83.7-79.9-160.400111.6R169 T220 L221 I226 M227 M228R169-E224 IonicContact CZ-OE1 3.82Å; R169-E224 IonicContact NE-OE1 3.88Å; R169-E224 IonicContact NE-OE2 3.9Å; R169-E224 IonicContact NH2-OE1 2.92Å; R169-E224 PolarHBondContact NH2-OE1 3.32Å; R169-E224 IonicContact NH2-OE2 3.99Å; T220-E224 WeakPolarHBondContact O-CB 3.27Å; T220-E224 PolarHBondContact O-N 2.79Å; L221-E224 PolarHBondContact O-N 2.81Å; E224-I226 PolarHBondContact O-N 3.3Å; E224-M227 PolarHBondContact O-N 3.43Å; E224-M228 WeakPolarHBondContact O-CB 3.29Å; E224-M228 VanDerWaalsContact O-CG 3.28Å; E224-M228 WeakPolarHBondContact O-CG 3.4Å; E224-M228 PolarHBondContact O-N 2.87Å
225A87Confident81.8Confident1 Ų158.3 Ų58.31%0.00830%0.297CS..Hα-helixtrans-60.4-45.5177.100000112.3I155 I166 L221 K222 F223 M228 A229 L253 F255I155-A225 HydrophobicContact CD1-CB 3.64Å; I166-A225 HydrophobicContact CD1-CB 4.34Å; L221-A225 WeakPolarHBondContact O-CB 3.07Å; L221-A225 PolarHBondContact O-N 2.81Å; K222-A225 PolarHBondContact O-N 3.24Å; F223-A225 PolarHBondContact O-N 2.57Å; A225-M228 PolarHBondContact O-N 3.47Å; A225-A229 WeakPolarHBondContact O-CB 3.04Å; A225-A229 PolarHBondContact O-N 3.08Å; A225-L253 HydrophobicContact CB-CD1 4.09Å; A225-F255 HydrophobicContact CB-CE2 4.42Å
226I89.7Confident83.5Confident39 Ų3957.6 Ų57.620%0.229%0.29CS..Hα-helixtrans-63.2-47.4177.4-68165.7000110.8K222 F223 E224 M228 A229 L230 L236 L253 F255K222-I226 WeakPolarHBondContact O-CB 3.44Å; K222-I226 VanDerWaalsContact O-CG1 3.24Å; K222-I226 WeakPolarHBondContact O-CG1 3.16Å; K222-I226 PolarHBondContact O-N 3.03Å; F223-I226 PolarHBondContact O-N 3.34Å; E224-I226 PolarHBondContact O-N 3.3Å; I226-M228 VanDerWaalsContact C-N 3.34Å; I226-M228 PolarHBondContact O-N 3.39Å; I226-A229 WeakPolarHBondContact O-CB 3.31Å; I226-A229 PolarHBondContact O-N 3.46Å; I226-L230 HydrophobicContact CG2-CD1 3.87Å; I226-L230 HydrophobicContact CG2-CG 4.33Å; I226-L230 VanDerWaalsContact O-CG 3.32Å; I226-L230 WeakPolarHBondContact O-CG 2.95Å; I226-L230 PolarHBondContact O-N 2.95Å; I226-L236 HydrophobicContact CD1-CD2 4.24Å; I226-L236 HydrophobicContact CG1-CD2 4.42Å; I226-L253 HydrophobicContact CD1-CD1 4.43Å; I226-L253 HydrophobicContact CD1-CD2 4.18Å; I226-L253 HydrophobicContact CG1-CD1 4.1Å; I226-L253 HydrophobicContact CG1-CD2 4.38Å; I226-F255 HydrophobicContact CB-CZ 4.39Å; I226-F255 HydrophobicContact CG1-CE1 4.09Å; I226-F255 HydrophobicContact CG1-CZ 3.8Å
227M89.3Confident84.6Confident72 Ų7261.5 Ų61.536%0.35531%0.309SS..Hα-helixtrans-63.1-40.4-179.7-73.3-62.9-70.500111.9F223 E224 K231F223-M227 HydrophobicContact CD1-CG 3.82Å; F223-M227 HydrophobicContact CE1-CG 3.49Å; F223-M227 VanDerWaalsContact CE1-CG 3.49Å; F223-M227 HydrophobicContact CE1-SD 4.15Å; F223-M227 HydrophobicContact CE2-CG 4.28Å; F223-M227 HydrophobicContact CE2-SD 4.41Å; F223-M227 HydrophobicContact CG-CG 4.35Å; F223-M227 HydrophobicContact CZ-CG 3.74Å; F223-M227 HydrophobicContact CZ-SD 3.85Å; F223-M227 WeakPolarHBondContact O-CB 3.19Å; F223-M227 WeakPolarHBondContact O-CG 2.89Å; F223-M227 PolarHBondContact O-N 2.62Å; E224-M227 PolarHBondContact O-N 3.43Å; M227-K231 WeakPolarHBondContact O-CB 3.06Å; M227-K231 VanDerWaalsContact O-CG 3.31Å; M227-K231 WeakPolarHBondContact O-CG 3.16Å; M227-K231 PolarHBondContact O-N 3.3Å
228M89.6Confident85.4Confident34 Ų3463.3 Ų63.317%0.16732%0.32CS..Hα-helixtrans-64.7-42.1173.4-73.5-175.472.900112.1F162 K165 I166 R169 E224 A225 I226 K231 C232F162-M228 HydrophobicContact CE2-CB 4.16Å; K165-M228 HydrophobicContact CB-CE 4.27Å; I166-M228 HydrophobicContact CG1-CE 4.31Å; I166-M228 HydrophobicContact CG1-SD 4.23Å; R169-M228 HydrophobicContact CB-CE 3.85Å; R169-M228 HydrophobicContact CB-SD 3.66Å; R169-M228 HydrophobicContact CG-CE 4.25Å; R169-M228 HydrophobicContact CG-SD 3.53Å; R169-M228 VanDerWaalsContact CG-SD 3.53Å; E224-M228 WeakPolarHBondContact O-CB 3.29Å; E224-M228 VanDerWaalsContact O-CG 3.28Å; E224-M228 WeakPolarHBondContact O-CG 3.4Å; E224-M228 PolarHBondContact O-N 2.87Å; A225-M228 PolarHBondContact O-N 3.47Å; I226-M228 VanDerWaalsContact C-N 3.34Å; I226-M228 PolarHBondContact O-N 3.39Å; M228-K231 PolarHBondContact O-N 2.97Å; M228-C232 WeakPolarHBondContact O-CB 3.11Å; M228-C232 PolarHBondContact O-N 2.97Å; M228-C232 PolarHBondContact O-SG 3.06Å
229A89.1Confident86.1Confident1 Ų166.4 Ų66.41%0.00834%0.342CS..Hα-helixtrans-58.1-53.7177.500000110.6F162 A225 I226 K231 C232 G233 F234 F255F162-A229 HydrophobicContact CE1-CB 4.1Å; F162-A229 HydrophobicContact CE2-CB 4.28Å; F162-A229 HydrophobicContact CZ-CB 3.47Å; F162-A229 VanDerWaalsContact CZ-CB 3.47Å; A225-A229 WeakPolarHBondContact O-CB 3.04Å; A225-A229 PolarHBondContact O-N 3.08Å; I226-A229 WeakPolarHBondContact O-CB 3.31Å; I226-A229 PolarHBondContact O-N 3.46Å; A229-K231 VanDerWaalsContact C-N 3.35Å; A229-K231 PolarHBondContact O-N 2.94Å; A229-C232 CarbonylContact O-C 3.49Å; A229-C232 WeakPolarHBondContact O-CA 3.33Å; A229-C232 PolarHBondContact O-N 3.03Å; A229-G233 PolarHBondContact O-N 2.64Å; A229-F234 HydrophobicContact CB-CB 3.97Å; A229-F234 WeakPolarHBondContact O-CB 3.21Å; A229-F234 PolarHBondContact O-N 3.44Å; A229-F255 HydrophobicContact CB-CD1 3.35Å; A229-F255 HydrophobicContact CB-CD2 4.34Å; A229-F255 HydrophobicContact CB-CE1 3.35Å; A229-F255 HydrophobicContact CB-CE2 4.33Å; A229-F255 HydrophobicContact CB-CG 3.86Å; A229-F255 HydrophobicContact CB-CZ 3.87Å
230L89.3Confident86.4Confident98 Ų9864.4 Ų64.451%0.51334%0.335SS..Hα-helixtrans-60.2-42.6-179.4-66.9173.3000111.8I226 C232 G233I226-L230 HydrophobicContact CG2-CD1 3.87Å; I226-L230 HydrophobicContact CG2-CG 4.33Å; I226-L230 VanDerWaalsContact O-CG 3.32Å; I226-L230 WeakPolarHBondContact O-CG 2.95Å; I226-L230 PolarHBondContact O-N 2.95Å; L230-C232 VanDerWaalsContact C-N 3.26Å; L230-C232 PolarHBondContact O-N 2.89Å; L230-G233 PolarHBondContact O-N 3.11Å; L230-G233 VanDerWaalsContact O-N 3.07Å
231K90Very high86.3Confident174 Ų17463.7 Ų63.776%0.75733%0.328SS*.Hα-helixtrans-62.3-32.4174.9-77.8178.5179.2179.90113.2M227 M228 A229 G233M227-K231 WeakPolarHBondContact O-CB 3.06Å; M227-K231 VanDerWaalsContact O-CG 3.31Å; M227-K231 WeakPolarHBondContact O-CG 3.16Å; M227-K231 PolarHBondContact O-N 3.3Å; M228-K231 PolarHBondContact O-N 2.97Å; A229-K231 VanDerWaalsContact C-N 3.35Å; A229-K231 PolarHBondContact O-N 2.94Å; K231-G233 VanDerWaalsContact C-N 3.26Å
232C86.8Confident85.8Confident51 Ų5165.2 Ų65.235%0.34534%0.339SS..THydrogen-bonded Turntrans-86.45.7177.5-63.20000113.1F162 M228 A229 L230 F234F162-C232 HydrophobicContact CD2-CB 4.24Å; F162-C232 HydrophobicContact CE2-CB 4.33Å; M228-C232 WeakPolarHBondContact O-CB 3.11Å; M228-C232 PolarHBondContact O-N 2.97Å; M228-C232 PolarHBondContact O-SG 3.06Å; A229-C232 CarbonylContact O-C 3.49Å; A229-C232 WeakPolarHBondContact O-CA 3.33Å; A229-C232 PolarHBondContact O-N 3.03Å; L230-C232 VanDerWaalsContact C-N 3.26Å; L230-C232 PolarHBondContact O-N 2.89Å; C232-F234 HydrophobicContact CB-CD2 3.58Å; C232-F234 HydrophobicContact CB-CE2 3.67Å
233G88.4Confident84.8Confident46 Ų4668.8 Ų68.847%0.47437%0.365SS..THydrogen-bonded Turntrans81.612.5178.800000114.8A229 L230 K231A229-G233 PolarHBondContact O-N 2.64Å; L230-G233 PolarHBondContact O-N 3.11Å; L230-G233 VanDerWaalsContact O-N 3.07Å; K231-G233 VanDerWaalsContact C-N 3.26Å
234F88.8Confident83.5Confident12 Ų1271.2 Ų71.25%0.05338%0.375CS..  trans-84.1151.9174.9-65.5-98.4000111.1C157 A159 F162 A229 C232 F255 I256 K257C157-F234 WeakPolarHBondContact SG-CE1 3.48Å; A159-F234 HydrophobicContact CB-CE1 3.4Å; A159-F234 VanDerWaalsContact CB-CE1 3.4Å; A159-F234 HydrophobicContact CB-CZ 3.41Å; A159-F234 VanDerWaalsContact CB-CZ 3.41Å; F162-F234 HydrophobicContact CB-CE2 3.93Å; F162-F234 HydrophobicContact CB-CZ 3.75Å; F162-F234 HydrophobicContact CD1-CE2 4.4Å; F162-F234 HydrophobicContact CD1-CZ 4.4Å; F162-F234 HydrophobicContact CD2-CD2 4.19Å; F162-F234 AromaticContact CD2-CE2 3.91Å; F162-F234 HydrophobicContact CD2-CE2 3.91Å; F162-F234 HydrophobicContact CE2-CD2 4.41Å; F162-F234 HydrophobicContact CG-CD2 4.26Å; F162-F234 AromaticContact CG-CE2 3.81Å; F162-F234 HydrophobicContact CG-CE2 3.81Å; F162-F234 AromaticContact CG-CZ 3.99Å; F162-F234 HydrophobicContact CG-CZ 3.99Å; A229-F234 HydrophobicContact CB-CB 3.97Å; A229-F234 WeakPolarHBondContact O-CB 3.21Å; A229-F234 PolarHBondContact O-N 3.44Å; C232-F234 HydrophobicContact CB-CD2 3.58Å; C232-F234 HydrophobicContact CB-CE2 3.67Å; F234-F255 HydrophobicContact CB-CB 4.31Å; F234-F255 HydrophobicContact CD1-CB 4.49Å; F234-I256 CarbonylContact C-O 3.54Å; F234-I256 VanDerWaalsContact CA-O 3.29Å; F234-I256 WeakPolarHBondContact CA-O 3.3Å; F234-I256 WeakPolarHBondContact CB-O 3.23Å; F234-K257 HydrophobicContact CD1-CB 3.81Å; F234-K257 HydrophobicContact CD1-CG 4.24Å; F234-K257 HydrophobicContact CE1-CB 3.7Å; F234-K257 HydrophobicContact CE1-CD 4.2Å; F234-K257 HydrophobicContact CE1-CG 4.07Å; F234-K257 HydrophobicContact CZ-CB 4.41Å; F234-K257 HydrophobicContact CZ-CD 4.08Å; F234-K257 HydrophobicContact CZ-CG 4.33Å
235R89.3Confident81.9Confident186 Ų18672.4 Ų72.470%0.70240%0.403SS*.EExtended strand (participates in β ladder)trans-107.8140.7172.7-68.8177.2161.9166.7-4.7110.1L237 F255 I256R235-L237 PolarHBondContact O-N 3.16Å; R235-F255 WeakPolarHBondContact O-CA 2.97Å; R235-I256 HydrophobicContact CB-CG1 4.32Å; R235-I256 PolarHBondContact N-O 2.9Å; R235-I256 PolarHBondContact O-N 3.4Å
236L90.3Very high80.1Confident70 Ų7074.5 Ų74.537%0.36642%0.417SS..EExtended strand (participates in β ladder)trans-76.1113171.7-178.665.8000108.6I226 T238 L253 F255I226-L236 HydrophobicContact CD1-CD2 4.24Å; I226-L236 HydrophobicContact CG1-CD2 4.42Å; L236-T238 WeakPolarHBondContact CD1-O 3.21Å; L236-L253 HydrophobicContact CD1-CB 4.35Å; L236-L253 HydrophobicContact CD1-CD2 3.95Å; L236-F255 HydrophobicContact CB-CD1 4.23Å; L236-F255 HydrophobicContact CB-CE1 4.05Å; L236-F255 HydrophobicContact CD1-CD1 3.97Å; L236-F255 HydrophobicContact CD1-CE1 3.52Å; L236-F255 HydrophobicContact CD1-CZ 3.99Å; L236-F255 HydrophobicContact CG-CE1 4.36Å
237L87.3Confident78.5Confident96 Ų9680.1 Ų80.150%0.50345%0.446SS..EExtended strand (participates in β ladder)trans-83.2-49.1177.9-178.764.9000111R235 H254 I256R235-L237 PolarHBondContact O-N 3.16Å; L237-H254 HydrophobicContact CB-CB 4.46Å; L237-H254 PolarHBondContact N-O 2.84Å; L237-I256 HydrophobicContact CB-CD1 4.45Å; L237-I256 HydrophobicContact CB-CG1 4.31Å; L237-I256 HydrophobicContact CB-CG2 4.28Å; L237-I256 HydrophobicContact CD1-CD1 4.15Å; L237-I256 HydrophobicContact CD2-CG2 4Å
238T85.3Confident76.7Confident74 Ų7479.8 Ų79.845%0.45445%0.448SS..EExtended strand (participates in β ladder)trans-139.9144.4178.360.30000111.4L236 H254L236-T238 WeakPolarHBondContact CD1-O 3.21Å; T238-H254 PolarHBondContact N-O 2.83Å; T238-H254 PolarHBondContact O-N 2.79Å; T238-H254 WeakPolarHBondContact OG1-CB 3.23Å
239S87Confident75.3Confident70 Ų7085.1 Ų85.149%0.4947%0.472SS..EExtended strand (participates in β ladder)trans-128.6120.9168.9179.30000107.9A252S239-A252 CarbonylContact C-O 3.47Å; S239-A252 WeakPolarHBondContact CA-O 3.43Å
240L80.6Confident74.4Confident63 Ų6385.7 Ų85.733%0.3348%0.476SS..EExtended strand (participates in β ladder)trans-110.6125.1-179.2-15973.7000108.9V248 D251 A252L240-V248 HydrophobicContact CD2-CB 3.59Å; L240-V248 HydrophobicContact CD2-CG1 3.45Å; L240-V248 VanDerWaalsContact CD2-CG1 3.45Å; L240-V248 HydrophobicContact CD2-CG2 3.77Å; L240-V248 HydrophobicContact CG-CB 4.4Å; L240-V248 HydrophobicContact CG-CG2 4.5Å; L240-D251 WeakPolarHBondContact O-CA 3.48Å; L240-A252 HydrophobicContact CB-CB 4.03Å; L240-A252 HydrophobicContact CD2-CB 4.4Å; L240-A252 PolarHBondContact N-O 2.92Å; L240-A252 PolarHBondContact O-N 3.39Å; L240-A252 VanDerWaalsContact O-N 3.13Å
241D74.6Confident73.9Confident52 Ų5281.1 Ų81.128%0.27845%0.452SS..  trans-123117.2-176.5179.6-3.8000108.9S243D241-S243 PolarHBondContact O-N 3.07Å; D241-S243 WeakPolarHBondContact OD1-CB 3.42Å; D241-S243 PolarHBondContact OD1-N 3.49Å; D241-S243 PolarHBondContact OD1-OG 2.82Å; D241-S243 PolarHBondContact OD2-OG 3.05Å; D241-S243 VanDerWaalsContact OD2-OG 3.06Å
242C67.8Low73.7Confident38 Ų3873.5 Ų73.526%0.25742%0.422SS..G310 helixtrans-75-11.2-178.469.90000113.1K244 D251C242-K244 VanDerWaalsContact C-N 3.31Å; C242-K244 PolarHBondContact O-N 2.71Å; C242-D251 WeakPolarHBondContact CB-OD1 3.18Å; C242-D251 PolarHBondContact N-OD1 2.6Å; C242-D251 PolarHBondContact SG-OD1 3.08Å
243S62.3Low73.8Confident83 Ų8371.1 Ų71.158%0.5841%0.405SS*.G310 helixtrans-72.8-16.7-176.370.80000114.8D241D241-S243 PolarHBondContact O-N 3.07Å; D241-S243 WeakPolarHBondContact OD1-CB 3.42Å; D241-S243 PolarHBondContact OD1-N 3.49Å; D241-S243 PolarHBondContact OD1-OG 2.82Å; D241-S243 PolarHBondContact OD2-OG 3.05Å; D241-S243 VanDerWaalsContact OD2-OG 3.06Å
244K56.6Low73.8Confident179 Ų17972 Ų7278%0.77840%0.397SS*.G310 helixtrans-113.246.9-173.3-61.4-170.5-177.6177.50114.3C242 S246C242-K244 VanDerWaalsContact C-N 3.31Å; C242-K244 PolarHBondContact O-N 2.71Å; K244-S246 VanDerWaalsContact C-N 3.32Å; K244-S246 PolarHBondContact O-N 3.06Å
245G50.3Low73.9Confident81 Ų8171.4 Ų71.484%0.83539%0.394SS*.SBendtrans71.824.1172.900000114.5
246S50.9Low73.8Confident45 Ų4565.8 Ų65.832%0.31538%0.378SS..  trans-73140.5173.9-171.10000110.5K244 V248K244-S246 VanDerWaalsContact C-N 3.32Å; K244-S246 PolarHBondContact O-N 3.06Å; S246-V248 PolarHBondContact O-N 2.81Å; S246-V248 VanDerWaalsContact O-N 3.16Å; S246-V248 WeakPolarHBondContact OG-CG2 3.32Å; S246-V248 PolarHBondContact OG-N 2.79Å
247I54.1Low73.3Confident158 Ų15871.9 Ų71.981%0.8140%0.401SS*.SBendtrans-66.1-11.8172.1-62.6165.2000111
248V53Low72.6Confident64 Ų6470.7 Ų70.739%0.38840%0.396SS..  trans-89.5127.1-168-161.80000110.4L240 S246 S250L240-V248 HydrophobicContact CD2-CB 3.59Å; L240-V248 HydrophobicContact CD2-CG1 3.45Å; L240-V248 VanDerWaalsContact CD2-CG1 3.45Å; L240-V248 HydrophobicContact CD2-CG2 3.77Å; L240-V248 HydrophobicContact CG-CB 4.4Å; L240-V248 HydrophobicContact CG-CG2 4.5Å; S246-V248 PolarHBondContact O-N 2.81Å; S246-V248 VanDerWaalsContact O-N 3.16Å; S246-V248 WeakPolarHBondContact OG-CG2 3.32Å; S246-V248 PolarHBondContact OG-N 2.79Å; V248-S250 VanDerWaalsContact C-N 3.34Å; V248-S250 PolarHBondContact O-N 3.08Å
249H60.3Low72Confident147 Ų14770.5 Ų70.568%0.68139%0.393SS*.SBendtrans-71.7-25.5-169.2-68.7-67.9000113.8S150S150-H249 CarbonylContact C-O 3.44Å; S150-H249 CarbonylContact O-C 3.58Å; S150-H249 VanDerWaalsContact O-C 3.28Å
250S69.4Low71.1Confident12 Ų1270.5 Ų70.58%0.08439%0.387CS..SBendtrans-131156.3-177.160.10000113S150 G152 V248S150-S250 VanDerWaalsContact O-CA 3.3Å; S150-S250 WeakPolarHBondContact O-CA 3.29Å; S150-S250 VanDerWaalsContact O-CB 3.23Å; S150-S250 WeakPolarHBondContact O-CB 3.48Å; G152-S250 WeakPolarHBondContact O-CB 3.39Å; V248-S250 VanDerWaalsContact C-N 3.34Å; V248-S250 PolarHBondContact O-N 3.08Å
251D79.2Confident70.6Confident3 Ų370.9 Ų70.92%0.01639%0.391CS..EExtended strand (participates in β ladder)trans-76.8145.7176-74.7-8.8000110.7G152 L153 R154 L218 K222 L240 C242G152-D251 PolarHBondContact O-N 2.75Å; L153-D251 CarbonylContact C-O 3.44Å; L153-D251 WeakPolarHBondContact CA-O 3.47Å; L153-D251 HydrophobicContact CD1-CB 3.95Å; R154-D251 PolarHBondContact N-O 2.94Å; L218-D251 HydrophobicContact CD2-CB 4.3Å; L218-D251 WeakPolarHBondContact CD2-OD2 3.25Å; K222-D251 WeakPolarHBondContact CE-OD2 3.3Å; K222-D251 IonicContact NZ-OD2 3.73Å; K222-D251 PolarHBondContact NZ-OD2 3.13Å; L240-D251 WeakPolarHBondContact O-CA 3.48Å; C242-D251 WeakPolarHBondContact CB-OD1 3.18Å; C242-D251 PolarHBondContact N-OD1 2.6Å; C242-D251 PolarHBondContact SG-OD1 3.08Å
252A85.9Confident70.3Confident14 Ų1472.1 Ų72.112%0.11640%0.398CS..EExtended strand (participates in β ladder)trans-141.8142.8-179.900000113.4R154 F156 S239 L240R154-A252 HydrophobicContact CB-CB 4.38Å; R154-A252 CarbonylContact O-C 3.6Å; R154-A252 WeakPolarHBondContact O-CA 3.26Å; F156-A252 HydrophobicContact CE2-CB 4.21Å; S239-A252 CarbonylContact C-O 3.47Å; S239-A252 WeakPolarHBondContact CA-O 3.43Å; L240-A252 HydrophobicContact CB-CB 4.03Å; L240-A252 HydrophobicContact CD2-CB 4.4Å; L240-A252 PolarHBondContact N-O 2.92Å; L240-A252 PolarHBondContact O-N 3.39Å; L240-A252 VanDerWaalsContact O-N 3.13Å
253L88.6Confident70.5Confident1 Ų174.4 Ų74.41%0.00541%0.407CS..EExtended strand (participates in β ladder)trans-122.2132.5170.6-63174000108.6L153 R154 I155 F156 K222 A225 I226 L236 F255L153-L253 HydrophobicContact CD1-CD1 4.41Å; L153-L253 HydrophobicContact CD1-CG 4.26Å; R154-L253 PolarHBondContact O-N 3.34Å; I155-L253 CarbonylContact C-O 3.46Å; I155-L253 WeakPolarHBondContact CA-O 3.49Å; I155-L253 HydrophobicContact CG1-CB 4.5Å; F156-L253 PolarHBondContact N-O 3.43Å; K222-L253 HydrophobicContact CB-CD1 4.1Å; K222-L253 HydrophobicContact CG-CD1 4.11Å; A225-L253 HydrophobicContact CB-CD1 4.09Å; I226-L253 HydrophobicContact CD1-CD1 4.43Å; I226-L253 HydrophobicContact CD1-CD2 4.18Å; I226-L253 HydrophobicContact CG1-CD1 4.1Å; I226-L253 HydrophobicContact CG1-CD2 4.38Å; L236-L253 HydrophobicContact CD1-CB 4.35Å; L236-L253 HydrophobicContact CD1-CD2 3.95Å; L253-F255 HydrophobicContact CB-CD2 4.48Å; L253-F255 HydrophobicContact CB-CE2 3.74Å; L253-F255 HydrophobicContact CB-CZ 4.02Å; L253-F255 HydrophobicContact CD1-CE2 4.19Å; L253-F255 HydrophobicContact CD1-CZ 4.04Å
254H89.3Confident71.1Confident63 Ų6373.8 Ų73.829%0.29240%0.395SS..EExtended strand (participates in β ladder)trans-118.7121.3173.7-168.8174.3000109.7F156 L237 T238F156-H254 HydrophobicContact CB-CB 4.41Å; F156-H254 WeakPolarHBondContact O-CA 3.4Å; L237-H254 HydrophobicContact CB-CB 4.46Å; L237-H254 PolarHBondContact N-O 2.84Å; T238-H254 PolarHBondContact N-O 2.83Å; T238-H254 PolarHBondContact O-N 2.79Å; T238-H254 WeakPolarHBondContact OG1-CB 3.23Å
255F89.6Confident72.2Confident1 Ų165.7 Ų65.70%0.00437%0.365CS..EExtended strand (participates in β ladder)trans-110.8137.9177.1-59.8-73.6000112I155 F156 C157 F162 A225 I226 A229 F234 R235 L236 L253I155-F255 HydrophobicContact CG2-CD2 3.81Å; I155-F255 HydrophobicContact CG2-CE2 3.76Å; F156-F255 PolarHBondContact O-N 3.4Å; C157-F255 HydrophobicContact CB-CB 4.26Å; C157-F255 PolarHBondContact SG-O 3.16Å; C157-F255 VanDerWaalsContact SG-O 3.39Å; F162-F255 HydrophobicContact CE1-CB 4.42Å; F162-F255 HydrophobicContact CE1-CD2 4.03Å; F162-F255 HydrophobicContact CE1-CG 4.32Å; A225-F255 HydrophobicContact CB-CE2 4.42Å; I226-F255 HydrophobicContact CB-CZ 4.39Å; I226-F255 HydrophobicContact CG1-CE1 4.09Å; I226-F255 HydrophobicContact CG1-CZ 3.8Å; A229-F255 HydrophobicContact CB-CD1 3.35Å; A229-F255 HydrophobicContact CB-CD2 4.34Å; A229-F255 HydrophobicContact CB-CE1 3.35Å; A229-F255 HydrophobicContact CB-CE2 4.33Å; A229-F255 HydrophobicContact CB-CG 3.86Å; A229-F255 HydrophobicContact CB-CZ 3.87Å; F234-F255 HydrophobicContact CB-CB 4.31Å; F234-F255 HydrophobicContact CD1-CB 4.49Å; R235-F255 WeakPolarHBondContact O-CA 2.97Å; L236-F255 HydrophobicContact CB-CD1 4.23Å; L236-F255 HydrophobicContact CB-CE1 4.05Å; L236-F255 HydrophobicContact CD1-CD1 3.97Å; L236-F255 HydrophobicContact CD1-CE1 3.52Å; L236-F255 HydrophobicContact CD1-CZ 3.99Å; L236-F255 HydrophobicContact CG-CE1 4.36Å; L253-F255 HydrophobicContact CB-CD2 4.48Å; L253-F255 HydrophobicContact CB-CE2 3.74Å; L253-F255 HydrophobicContact CB-CZ 4.02Å; L253-F255 HydrophobicContact CD1-CE2 4.19Å; L253-F255 HydrophobicContact CD1-CZ 4.04Å
256I86.9Confident74Confident68 Ų6864.4 Ų64.435%0.34933%0.326SS..EExtended strand (participates in β ladder)trans-122.7150.3171.760.9171.2000109.3F234 R235 L237F234-I256 CarbonylContact C-O 3.54Å; F234-I256 VanDerWaalsContact CA-O 3.29Å; F234-I256 WeakPolarHBondContact CA-O 3.3Å; F234-I256 WeakPolarHBondContact CB-O 3.23Å; R235-I256 HydrophobicContact CB-CG1 4.32Å; R235-I256 PolarHBondContact N-O 2.9Å; R235-I256 PolarHBondContact O-N 3.4Å; L237-I256 HydrophobicContact CB-CD1 4.45Å; L237-I256 HydrophobicContact CB-CG1 4.31Å; L237-I256 HydrophobicContact CB-CG2 4.28Å; L237-I256 HydrophobicContact CD1-CD1 4.15Å; L237-I256 HydrophobicContact CD2-CG2 4Å
257K81.3Confident76.1Confident197 Ų19766.2 Ų66.286%0.85733%0.327SS*.  trans-85.50176.6-160.1170.5-177.1179.30110.8F234F234-K257 HydrophobicContact CD1-CB 3.81Å; F234-K257 HydrophobicContact CD1-CG 4.24Å; F234-K257 HydrophobicContact CE1-CB 3.7Å; F234-K257 HydrophobicContact CE1-CD 4.2Å; F234-K257 HydrophobicContact CE1-CG 4.07Å; F234-K257 HydrophobicContact CZ-CB 4.41Å; F234-K257 HydrophobicContact CZ-CD 4.08Å; F234-K257 HydrophobicContact CZ-CG 4.33Å

Retrieved 257 of 257 residues in 331 ms (Link to these results)