A0A096M268_POEFO Loading...

ATP-sensitive inward rectifier potassium channel 14

Inward rectifier potassium channels are characterized by a greater tendency to allow potassium to flow into the cell rather than out of it. Their voltage dependence is regulated by the concentration of extracellular potassium; as external potassium is raised, the voltage range of the channel opening shifts to more positive voltages.

AlphaFold DB , UniProt , Accession A0A096M268, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 548 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
1M31.2Very low27.2Very low230 Ų230152.5 Ų152.5100%1.13387%0.874SS**  097.40-76.4164.7142.500106.2
2T30.7Very low27.3Very low142 Ų142158.4 Ų158.487%0.87187%0.874SS**  67.2119.89854.50000112.3
3G27Very low27.2Very low78 Ų78153.8 Ų153.880%0.80486%0.86SS**  cis-171.6178.12.400000111.7
4A30.2Very low27.3Very low104 Ų104154.7 Ų154.786%0.8686%0.86SS**  trans-89.4151-175.300000113.5
5M28.1Very low27.4Very low202 Ų202153.2 Ų153.2100%0.99586%0.856SS**  trans-163.9138.8145.5-113.5175.6170.600109.3
6G24.8Very low27.6Very low79 Ų79150.4 Ų150.481%0.81485%0.85SS**  trans-119.9168.6179.100000112.5
7S24.7Very low27.8Very low130 Ų130150.8 Ų150.891%0.90985%0.849SS**  trans-155.5166161.7-163.90000111.4
8R24.9Very low28.2Very low236 Ų236151.4 Ų151.489%0.89185%0.848SS**  trans-94.8154.7-165-73.1166.9152167.5-10.5114.2
9S24.7Very low28.6Very low99 Ų99152 Ų15269%0.69285%0.847SS**  trans58.3118.3141.1-157.60000120.5
10N24.3Very low29.1Very low142 Ų142149.7 Ų149.776%0.75984%0.839SS**  -164.8135.896.9-98.3-2.1000112.5
11R28.4Very low29.5Very low235 Ų235151.1 Ų151.189%0.88784%0.839SS**  trans-90.2128.2166.6-73.8-176.2-93.5-164.3-7.2108.4
12Y28.5Very low29.9Very low224 Ų224148.3 Ų148.388%0.87882%0.823SS**  trans-157.8138.2149.7-87.4-63.5000111.9
13S25.8Very low30.4Very low98 Ų98147.6 Ų147.669%0.68581%0.81SS**  trans52.3107.3155.9-156.40000119.6
14I28.4Very low31Very low167 Ų167151 Ų15186%0.85681%0.809SS**  trans-124.3143.5145.1-62.3178.5000106.3
15V29.5Very low31.2Very low132 Ų132153.8 Ų153.880%0.881%0.805SS**  trans95.778.3-172.8-168.60000113.9
16S29.8Very low31.4Very low109 Ų109151.2 Ų151.276%0.76279%0.788SS**  trans-164.266.9157.6-76.80000109.7
17D31.1Very low31.8Very low156 Ų156154.7 Ų154.783%0.83479%0.786SS**  trans-128.9155.9167.6-88-49.5000109.1
18I36.5Very low32.1Very low163 Ų163153.7 Ų153.784%0.83678%0.779SS**  trans82.972.2-175.4-43.3163.8000114.8
19I35Very low32.4Very low162 Ų162147 Ų14783%0.83177%0.768SS**  trans-135.1127.4141-58-177.8000107.1
20P38Very low32.8Very low106 Ų106150.7 Ų150.769%0.68878%0.779SS**  trans-79.3154.2-17430.4-34.8000114.6E22P20-E22 PolarHBondContact O-N 3.39Å
21E38.4Very low32.8Very low179 Ų179148.2 Ų148.284%0.83678%0.779SS**G310 helixtrans-69.7-8.7-164.9-69.1-170.4120.100117.6E23 L24E21-E23 VanDerWaalsContact C-N 3.34Å; E21-E23 PolarHBondContact O-N 3.2Å; E21-L24 PolarHBondContact O-N 3.09Å
22E39.9Very low32.7Very low171 Ų171144.3 Ų144.380%0.79978%0.775SS**G310 helixtrans-71.4-19.5-169.1-70.9-166.5133.800115.4P20P20-E22 PolarHBondContact O-N 3.39Å
23E39.7Very low32.6Very low127 Ų127143.9 Ų143.959%0.59377%0.773SS**G310 helixtrans-82.6-18.3179-79.1-73.6106.500113.4E21 Q25 K26E21-E23 VanDerWaalsContact C-N 3.34Å; E21-E23 PolarHBondContact O-N 3.2Å; E23-Q25 VanDerWaalsContact C-N 3.3Å; E23-Q25 PolarHBondContact O-N 2.75Å; E23-K26 IonicContact OE1-NZ 3.88Å; E23-K26 PolarHBondContact OE1-NZ 3.41Å
24L40.7Very low32.6Very low149 Ų149147.2 Ų147.278%0.7878%0.783SS**THydrogen-bonded Turntrans-71.5-23.4-175.6-14880.4000113.2E21E21-L24 PolarHBondContact O-N 3.09Å
25Q33.6Very low32.4Very low164 Ų164143 Ų14377%0.76678%0.781SS**THydrogen-bonded Turntrans-85.6-15-173.8-69.4-171.4-7.700114.9E23E23-Q25 VanDerWaalsContact C-N 3.3Å; E23-Q25 PolarHBondContact O-N 2.75Å
26K33.4Very low32.3Very low147 Ų147146.7 Ų146.764%0.63979%0.789SS**THydrogen-bonded Turntrans-81.6-14.1-179.6-69.7176.7-165.1149.30114.5E23E23-K26 IonicContact OE1-NZ 3.88Å; E23-K26 PolarHBondContact OE1-NZ 3.41Å
27I33.5Very low32.1Very low152 Ų152145.2 Ų145.278%0.77979%0.791SS**THydrogen-bonded Turntrans-87.9-11.3-175.8-58.6177.2000112
28S30.1Very low31.7Very low109 Ų109143.8 Ų143.876%0.76279%0.793SS**SBendtrans-88.8-10.3-173.2-159.50000115.2
29S31.8Very low31.2Very low95 Ų95139.8 Ų139.866%0.66479%0.785SS**SBendtrans-111.726.5-163.561.50000116.5
30L31.7Very low30.7Very low177 Ų177139.1 Ų139.193%0.92778%0.783SS**  trans-140.857.6177.1-106.7157.9000113.5
31A25.1Very low30.1Very low90 Ų90139.9 Ų139.974%0.74479%0.785SS**  trans-114.8115.116400000109.9
32L27.3Very low29.4Very low154 Ų154141.3 Ų141.381%0.80679%0.789SS**  trans162.2107.2150.5-92.8164.2000110.9
33Y25.7Very low28.7Very low214 Ų214141.3 Ų141.384%0.83979%0.789SS**  178.2135.2104.7-111-84.5000111.9
34N26Very low28Very low169 Ų169145 Ų14590%0.90481%0.806SS**  trans-83.2148.8171.3-85.9-30.4000111.3
35G24.3Very low27.3Very low79 Ų79142.2 Ų142.281%0.81480%0.799SS**  trans-160.9104.1170.500000113
36H27.8Very low27Very low209 Ų209142.1 Ų142.197%0.96880%0.804SS**  trans-74.4141.4170-103.3-66.3000111
37G23.8Very low26.7Very low78 Ų78138.8 Ų138.880%0.80480%0.804SS**  trans-157.4140.8168.900000110.5
38S23.2Very low26.4Very low125 Ų125140.7 Ų140.787%0.87481%0.809SS**  trans-126.3165.1-168.2-170.20000112.8
39A25.5Very low26.1Very low80 Ų80147.5 Ų147.566%0.66182%0.818SS**  trans97.8149.1153.500000120.9
40N24.5Very low26Very low148 Ų148151.9 Ų151.979%0.79183%0.828SS**  trans72.5104.5169.6-56.7-24000116.2
41V25.8Very low25.8Very low121 Ų121153 Ų15373%0.73383%0.828SS**  61108.354.1-171.80000112.9
42K25.1Very low25.9Very low210 Ų210152.2 Ų152.291%0.91383%0.83SS**  trans-151.4117.1138.8-115.6175.1-175.9178.60110.2
43E24.1Very low25.9Very low170 Ų170157 Ų15779%0.79484%0.837SS**  trans-70.2152.8168.5-63.1162.3110.800110.5
44Q25.8Very low26Very low204 Ų204157.8 Ų157.895%0.95384%0.839SS**  trans-131.7135.9142.8-95.7-175.1-18.200108.7
45S25.5Very low26.2Very low92 Ų92160.5 Ų160.564%0.64384%0.836SS**  trans-118.4140.4-15955.90000112.9
46N26.5Very low27.2Very low162 Ų162162.6 Ų162.687%0.86684%0.835SS**  trans61.9158.1145.8-57.6-13.3000117.5
47A27.3Very low27.2Very low77 Ų77156.2 Ų156.264%0.63683%0.826SS**  cis-153.7157.82400000115.4
48E26.7Very low27.4Very low191 Ų191156.8 Ų156.889%0.89382%0.823SS**  trans59.7121.9138.1-71.6167.6-17300123.5
49R25.4Very low27.6Very low253 Ų253156.5 Ų156.596%0.95582%0.821SS**  -158.1143.2106.6-143.1171.6-176.2176.60.1113
50E28.2Very low27.7Very low186 Ų186158.9 Ų158.987%0.86983%0.828SS**  trans-87.8151.9177.9-67.7-175.9105.700114.2
51E27.7Very low27.8Very low200 Ų200157.9 Ų157.994%0.93583%0.826SS**  167.9144.9129.4-93.6-174.6155.500109
52G27Very low27.9Very low75 Ų75158.2 Ų158.277%0.77383%0.828SS**  cis150.668.7-3.500000114.5
53R27.9Very low28.5Very low253 Ų253154.3 Ų154.396%0.95583%0.825SS**  trans-151.1144.9165.6-138.7168.6-1781671.2117.4
54R27.8Very low28.5Very low232 Ų232149.5 Ų149.588%0.87582%0.82SS**  trans-129.8160.7-172.2-65.6171.1-179.1168.20.3107.7
55R30.7Very low28.6Very low226 Ų226145.2 Ų145.285%0.85381%0.813SS**  cis-159.5-141.85-125.2-178.9-180179-0.6106.6
56P45.8Very low28.6Very low123 Ų123146.3 Ų146.380%0.79982%0.821SS**  -128.1-177.5-81.141.1-24.6000115.2
57G26.6Very low28.5Very low74 Ų74142 Ų14276%0.76382%0.815SS**  trans139.187.5159.800000113.5
58A28.3Very low28.5Very low91 Ų91148 Ų14875%0.75283%0.83SS**  88.7101.571.100000114.4
59S27.1Very low28.6Very low119 Ų119151 Ų15183%0.83283%0.833SS**  61.7149.4127.2-51.60000120.3
60T28.1Very low28.7Very low130 Ų130142.6 Ų142.680%0.79883%0.825SS**  cis-139.9-176.20.155.30000109
61V27.4Very low29Very low126 Ų126142.4 Ų142.476%0.76483%0.826SS**  cis-152.1-176.17.785.40000110.2
62V26.7Very low29.2Very low128 Ų128137.5 Ų137.578%0.77681%0.814SS**  trans-135.2137.6176.6166.50000107.7
63P37.9Very low29.6Very low129 Ų129141 Ų14184%0.83882%0.815SS**  -148.216993.136.8-17.9000113.9
64G24.9Very low29.8Very low68 Ų68139.2 Ų139.270%0.70181%0.81SS**  cis175.4150.8-1.200000105.2
65S26.6Very low30.2Very low114 Ų114134.1 Ų134.180%0.79780%0.8SS**  179.5173.662.250.40000110.6
66S25.2Very low30.4Very low116 Ų116126.6 Ų126.681%0.81179%0.793SS**  trans-9.9141.5164520000120
67G24.6Very low29.8Very low72 Ų72128.8 Ų128.874%0.74279%0.79SS**  cis173.6-172.84.900000113
68Q27.7Very low30.6Very low202 Ų202130.4 Ų130.494%0.94479%0.785SS**  trans5398.1175.8-72.3-178.1-2700117.8
69R28.7Very low31.1Very low254 Ų254133.5 Ų133.596%0.95879%0.788SS**  trans-109.5117.4150.7-87.7-173.7174.5178.6-1.3109.6
70G28.7Very low32Very low77 Ų77133.7 Ų133.779%0.79478%0.784SS**  trans-66.9150.3167.700000111.3S72G70-S72 PolarHBondContact O-N 3.15Å
71M34.8Very low32.7Very low181 Ų181136.4 Ų136.489%0.89278%0.78SS**  trans-74.7117.6177.3-65.4163.966.300109.8
72S31.7Very low33.2Very low98 Ų98132.7 Ų132.769%0.68577%0.767SS**  trans-119.397.6160.9-174.90000108.7G70 Y74G70-S72 PolarHBondContact O-N 3.15Å; S72-Y74 VanDerWaalsContact C-N 3.31Å; S72-Y74 PolarHBondContact O-N 3.42Å
73N35Very low34.1Very low147 Ų147133.3 Ų133.379%0.78678%0.777SS**  trans-95.353.8179.8-116.95.2000110.5N75N73-N75 PolarHBondContact O-N 3.18Å
74Y31.8Very low34.4Very low216 Ų216132.6 Ų132.685%0.84778%0.775SS**  trans-91.579.5166.4-83.5-85000109.6S72 G76S72-Y74 VanDerWaalsContact C-N 3.31Å; S72-Y74 PolarHBondContact O-N 3.42Å; Y74-G76 PolarHBondContact O-N 3.06Å
75N35.7Very low35.6Very low125 Ų125134.5 Ų134.567%0.66877%0.766SS**  trans-8239.3-179.1-145.78000112.2N73 K77N73-N75 PolarHBondContact O-N 3.18Å; N75-K77 PolarHBondContact O-N 3.46Å; N75-K77 WeakPolarHBondContact OD1-CE 3.36Å
76G34.3Very low37.1Very low68 Ų68133.9 Ų133.970%0.70176%0.757SS**  trans-76.560.1171.400000111Y74 V78Y74-G76 PolarHBondContact O-N 3.06Å; G76-V78 PolarHBondContact O-N 3.09Å
77K33.5Very low39Very low170 Ų170131.9 Ų131.974%0.73973%0.732SS**  trans-70.781176.2-72.7-175.2-179.3-179.60110.5N75 L79N75-K77 PolarHBondContact O-N 3.46Å; N75-K77 WeakPolarHBondContact OD1-CE 3.36Å; K77-L79 PolarHBondContact O-N 2.84Å; K77-L79 VanDerWaalsContact O-N 3.15Å
78V42.9Very low41.5Very low108 Ų108132.9 Ų132.966%0.65573%0.727SS**  trans-55.9117.9151179.60000105.9G76 T80G76-V78 PolarHBondContact O-N 3.09Å; V78-T80 VanDerWaalsContact C-N 3.35Å; V78-T80 PolarHBondContact O-N 3Å
79L40.2Very low44.6Very low155 Ų155125.1 Ų125.181%0.81269%0.689SS**  trans-65.294.9179.6-80154.7000109.1K77 R81K77-L79 PolarHBondContact O-N 2.84Å; K77-L79 VanDerWaalsContact O-N 3.15Å; L79-R81 PolarHBondContact O-N 2.78Å
80T45.6Very low47.6Very low124 Ų124115.4 Ų115.476%0.76165%0.654SS**  trans-64.679.9157.652.50000107.4V78V78-T80 VanDerWaalsContact C-N 3.35Å; V78-T80 PolarHBondContact O-N 3Å
81R43.3Very low50.7Low186 Ų186112 Ų11270%0.70262%0.617SS**  trans-62.3141-177.5-154.5168-179.5-170-6.8108.2L79L79-R81 PolarHBondContact O-N 2.78Å
82G37.5Very low53.5Low48 Ų48107.7 Ų107.750%0.49559%0.594SS.*  trans-57.3157.3-161.600000115.8S84 Q85G82-S84 PolarHBondContact O-N 3.47Å; G82-Q85 PolarHBondContact O-N 2.73Å; G82-Q85 VanDerWaalsContact O-N 3.13Å
83S46.2Very low56.4Low141 Ų141106.5 Ų106.599%0.98658%0.576SS**THydrogen-bonded Turntrans-48.27.3-174.1-167.70000119
84S44.1Very low59Low114 Ų114104.4 Ų104.480%0.79757%0.565SS**THydrogen-bonded Turntrans-123.41.2178.866.90000114.4G82G82-S84 PolarHBondContact O-N 3.47Å
85Q49Very low61.7Low109 Ų10994.4 Ų94.451%0.50953%0.527SS..SBendtrans-103104.4172.3-69.7-155.4-18.100111.4G82 R87G82-Q85 PolarHBondContact O-N 2.73Å; G82-Q85 VanDerWaalsContact O-N 3.13Å; Q85-R87 PolarHBondContact O-N 3.17Å
86V58.4Low64.2Low100 Ų10093.4 Ų93.461%0.60652%0.519SS*.  trans-46124.8169.81780000110.4R385V86-R385 VanDerWaalsContact CG1-CZ 3.49Å
87R64.8Low66.9Low75 Ų7593.5 Ų93.528%0.28351%0.508SS..PPolyproline II helixtrans-54.5141.7-176.2-176.7172.1-179.2156.27.6112.1Q85 S301 P311 D358Q85-R87 PolarHBondContact O-N 3.17Å; R87-S301 PolarHBondContact NH1-OG 2.95Å; R87-P311 PolarHBondContact NH2-O 3.27Å; R87-D358 WeakPolarHBondContact CB-OD1 3.46Å; R87-D358 WeakPolarHBondContact CB-OD2 3.36Å; R87-D358 WeakPolarHBondContact CD-OD2 2.88Å; R87-D358 IonicContact NH1-OD2 2.68Å
88S78.5Confident69.6Low92 Ų9288.9 Ų88.964%0.64349%0.491SS*.PPolyproline II helixtrans-73.8130.5173.8-158.80000109.7N98S88-N98 PolarHBondContact OG-ND2 3.21Å
89R91.3Very high71.7Confident39 Ų3986.7 Ų86.715%0.14748%0.478CS..PPolyproline II helixtrans-63.3137.1-179.9-171.6-169.9-66.9-105.75.5111.7V91 N98 E360 S381 L383 E386R89-V91 WeakPolarHBondContact CD-O 3.32Å; R89-V91 WeakPolarHBondContact CG-O 3.42Å; R89-N98 VanDerWaalsContact O-CB 3.25Å; R89-N98 WeakPolarHBondContact O-CB 3.13Å; R89-N98 PolarHBondContact O-ND2 2.94Å; R89-E360 VanDerWaalsContact CA-OE2 3.31Å; R89-E360 WeakPolarHBondContact CA-OE2 3.35Å; R89-E360 WeakPolarHBondContact CG-OE1 3.3Å; R89-E360 VanDerWaalsContact CG-OE2 3.23Å; R89-E360 WeakPolarHBondContact CG-OE2 3.25Å; R89-S381 WeakPolarHBondContact CD-OG 3.38Å; R89-S381 PolarHBondContact NH1-O 3.4Å; R89-S381 PolarHBondContact NH1-OG 2.9Å; R89-L383 HydrophobicContact CB-CD1 4.43Å; R89-L383 HydrophobicContact CB-CD2 4.36Å; R89-L383 HydrophobicContact CG-CD2 4.17Å; R89-L383 HydrophobicContact CG-CG 4.5Å; R89-E386 IonicContact CZ-OE1 3.96Å; R89-E386 IonicContact CZ-OE2 3.62Å; R89-E386 IonicContact NH1-OE2 3.77Å; R89-E386 PolarHBondContact NH1-OE2 3.44Å; R89-E386 IonicContact NH2-OE1 3.56Å; R89-E386 PolarHBondContact NH2-OE1 3.48Å; R89-E386 IonicContact NH2-OE2 2.78Å; R89-E386 PolarHBondContact NH2-OE2 3.23Å
90F92.4Very high73.8Confident51 Ų5185.3 Ų85.322%0.22448%0.476CS..SBendtrans-77-43.1178.2-175.3-112000112.8C97 N98 V99 I299 L312 E360F90-C97 CarbonylContact O-C 3.56Å; F90-C97 WeakPolarHBondContact O-CA 3.46Å; F90-N98 WeakPolarHBondContact O-CB 3.46Å; F90-N98 PolarHBondContact O-N 3.34Å; F90-V99 HydrophobicContact CD2-CG2 3.93Å; F90-V99 HydrophobicContact CE2-CG2 3.32Å; F90-V99 HydrophobicContact CZ-CG2 3.94Å; F90-I299 HydrophobicContact CD1-CD1 3.53Å; F90-I299 HydrophobicContact CE1-CD1 4Å; F90-I299 HydrophobicContact CG-CD1 4.4Å; F90-L312 HydrophobicContact CD2-CD1 3.86Å; F90-L312 HydrophobicContact CE2-CD1 3.87Å; F90-E360 PolarHBondContact N-OE2 2.9Å
91V94.6Very high75.5Confident4 Ų486.2 Ų86.22%0.02447%0.469CS..BIsolated β-bridgetrans-122.7113.3175.1178.80000109.9R89 E360 V362 R379 S381R89-V91 WeakPolarHBondContact CD-O 3.32Å; R89-V91 WeakPolarHBondContact CG-O 3.42Å; V91-E360 PolarHBondContact N-OE1 2.85Å; V91-V362 HydrophobicContact CB-CG1 4.43Å; V91-V362 HydrophobicContact CB-CG2 4.08Å; V91-V362 HydrophobicContact CG2-CG1 4.11Å; V91-V362 HydrophobicContact CG2-CG2 3.86Å; V91-R379 HydrophobicContact CG1-CB 4.15Å; V91-S381 PolarHBondContact O-OG 3.15Å
92K93.1Very high77.3Confident92 Ų9283 Ų8340%0.447%0.47SS..  trans-57.5154.7177.2-67.5179.5-172.31730112N94 G95 Q96K92-N94 WeakPolarHBondContact CB-OD1 3.09Å; K92-N94 PolarHBondContact O-N 3.39Å; K92-G95 WeakPolarHBondContact O-CA 3.44Å; K92-G95 PolarHBondContact O-N 3.32Å; K92-Q96 HydrophobicContact CB-CB 4.37Å; K92-Q96 WeakPolarHBondContact CB-O 3.42Å; K92-Q96 HydrophobicContact CD-CB 4.28Å; K92-Q96 PolarHBondContact N-O 3.17Å
93K92.1Very high79.1Confident73 Ų7387.3 Ų87.332%0.31748%0.482SS..THydrogen-bonded Turntrans-52.3-18.8174.4-73.2-74.1-174.6-168.90115K264 S380 S381 Y382 E386K93-K264 WeakPolarHBondContact CE-O 3.04Å; K93-K264 PolarHBondContact NZ-O 2.86Å; K93-S380 PolarHBondContact O-OG 3.36Å; K93-S381 WeakPolarHBondContact CD-O 3.27Å; K93-S381 VanDerWaalsContact CE-O 3.23Å; K93-S381 WeakPolarHBondContact CE-O 3.47Å; K93-S381 PolarHBondContact NZ-O 2.84Å; K93-Y382 VanDerWaalsContact NZ-CD1 3.26Å; K93-E386 WeakPolarHBondContact CE-OE1 3.47Å; K93-E386 WeakPolarHBondContact CE-OE2 3.25Å; K93-E386 VanDerWaalsContact NZ-CD 3.31Å; K93-E386 IonicContact NZ-OE1 2.62Å; K93-E386 IonicContact NZ-OE2 3.6Å; K93-E386 PolarHBondContact NZ-OE2 3.49Å
94N88.9Confident80.3Confident102 Ų10284.6 Ų84.655%0.54546%0.455SS..THydrogen-bonded Turntrans-94.59.8175.269.1-6.9000113.7K92 Q96K92-N94 WeakPolarHBondContact CB-OD1 3.09Å; K92-N94 PolarHBondContact O-N 3.39Å; N94-Q96 VanDerWaalsContact C-N 3.34Å; N94-Q96 VanDerWaalsContact ND2-CD 3.3Å; N94-Q96 PolarHBondContact ND2-OE1 2.72Å; N94-Q96 PolarHBondContact O-N 2.86Å; N94-Q96 WeakPolarHBondContact OD1-CB 3.37Å; N94-Q96 WeakPolarHBondContact OD1-CG 3.47Å; N94-Q96 PolarHBondContact OD1-N 2.89Å; N94-Q96 VanDerWaalsContact OD1-N 3.16Å
95G88.9Confident81.1Confident6 Ų686 Ų866%0.06245%0.449CS..SBendtrans79.34.2-179.900000116.1K92 R379K92-G95 WeakPolarHBondContact O-CA 3.44Å; K92-G95 PolarHBondContact O-N 3.32Å; G95-R379 WeakPolarHBondContact CA-O 3.33Å; G95-R379 PolarHBondContact N-O 3.29Å; G95-R379 PolarHBondContact O-NE 2.75Å; G95-R379 PolarHBondContact O-NH2 2.85Å
96Q89Confident81.9Confident105 Ų10585 Ų8549%0.49145%0.447SS..  trans-78.7121.4175.8-68.4178.3-25.800111.4K92 N94K92-Q96 HydrophobicContact CB-CB 4.37Å; K92-Q96 WeakPolarHBondContact CB-O 3.42Å; K92-Q96 HydrophobicContact CD-CB 4.28Å; K92-Q96 PolarHBondContact N-O 3.17Å; N94-Q96 VanDerWaalsContact C-N 3.34Å; N94-Q96 VanDerWaalsContact ND2-CD 3.3Å; N94-Q96 PolarHBondContact ND2-OE1 2.72Å; N94-Q96 PolarHBondContact O-N 2.86Å; N94-Q96 WeakPolarHBondContact OD1-CB 3.37Å; N94-Q96 WeakPolarHBondContact OD1-CG 3.47Å; N94-Q96 PolarHBondContact OD1-N 2.89Å; N94-Q96 VanDerWaalsContact OD1-N 3.16Å
97C90.6Very high82.3Confident69 Ų6985.9 Ų85.947%0.46644%0.439SS..BIsolated β-bridgetrans-70.5133.7173-52.10000110.6F90 V99F90-C97 CarbonylContact O-C 3.56Å; F90-C97 WeakPolarHBondContact O-CA 3.46Å; C97-V99 VanDerWaalsContact C-N 3.32Å; C97-V99 HydrophobicContact CB-CG2 4.47Å; C97-V99 PolarHBondContact O-N 2.98Å
98N89.9Confident82.3Confident74 Ų7486.2 Ų86.240%0.39645%0.454SS..  trans-95.155.8-177.4-169.832.3000110.5S88 R89 F90S88-N98 PolarHBondContact OG-ND2 3.21Å; R89-N98 VanDerWaalsContact O-CB 3.25Å; R89-N98 WeakPolarHBondContact O-CB 3.13Å; R89-N98 PolarHBondContact O-ND2 2.94Å; F90-N98 WeakPolarHBondContact O-CB 3.46Å; F90-N98 PolarHBondContact O-N 3.34Å
99V87.8Confident81.8Confident62 Ų6288.1 Ų88.138%0.37645%0.452SS..  trans-124.5133.1-174.2-1770000109.6F90 C97 F101F90-V99 HydrophobicContact CD2-CG2 3.93Å; F90-V99 HydrophobicContact CE2-CG2 3.32Å; F90-V99 HydrophobicContact CZ-CG2 3.94Å; C97-V99 VanDerWaalsContact C-N 3.32Å; C97-V99 HydrophobicContact CB-CG2 4.47Å; C97-V99 PolarHBondContact O-N 2.98Å; V99-F101 HydrophobicContact CG1-CD1 4.42Å; V99-F101 HydrophobicContact CG1-CE1 4.08Å; V99-F101 HydrophobicContact CG1-CE2 4.31Å; V99-F101 HydrophobicContact CG1-CZ 4.02Å
100V84.7Confident81Confident125 Ų12594.6 Ų94.676%0.75848%0.477SS*.  trans-118.5110.7173.7-178.20000108.3T102V100-T102 HydrophobicContact CG1-CG2 4.28Å
101F80.9Confident80.2Confident144 Ų14497.7 Ų97.763%0.63249%0.488SS*.  trans-76124.5174.3-57.2-79.1000110V99 M104V99-F101 HydrophobicContact CG1-CD1 4.42Å; V99-F101 HydrophobicContact CG1-CE1 4.08Å; V99-F101 HydrophobicContact CG1-CE2 4.31Å; V99-F101 HydrophobicContact CG1-CZ 4.02Å; F101-M104 HydrophobicContact CB-CE 3.38Å; F101-M104 HydrophobicContact CB-SD 3.85Å; F101-M104 HydrophobicContact CG-CE 4.26Å; F101-M104 HydrophobicContact CG-SD 4.41Å
102T81.3Confident79.2Confident117 Ų117103.4 Ų103.472%0.71852%0.518SS*.  trans-119.1162.5177.356.60000110.3V100 M104V100-T102 HydrophobicContact CG1-CG2 4.28Å; T102-M104 VanDerWaalsContact C-N 3.3Å; T102-M104 PolarHBondContact O-N 3.33Å
103N75.4Confident78.5Confident139 Ų139103.4 Ų103.474%0.74354%0.535SS*.  trans51.439.3179.9-148.465.2000116E105N103-E105 PolarHBondContact O-N 3.28Å
104M70.9Confident78.1Confident84 Ų84103.3 Ų103.341%0.41454%0.538SS..  trans-86.492.8166.8-68.1-175.8-62.600109.3F101 T102 R107F101-M104 HydrophobicContact CB-CE 3.38Å; F101-M104 HydrophobicContact CB-SD 3.85Å; F101-M104 HydrophobicContact CG-CE 4.26Å; F101-M104 HydrophobicContact CG-SD 4.41Å; T102-M104 VanDerWaalsContact C-N 3.3Å; T102-M104 PolarHBondContact O-N 3.33Å; M104-R107 HydrophobicContact CB-CB 4.28Å; M104-R107 HydrophobicContact CE-CG 4.47Å; M104-R107 WeakPolarHBondContact O-CB 3.25Å
105E61.6Low77.9Confident143 Ų143103.1 Ų103.167%0.66854%0.535SS*.THydrogen-bonded Turntrans-59.1150.3165.4-68.6166.3-165.700109.5N103 R107N103-E105 PolarHBondContact O-N 3.28Å; E105-R107 PolarHBondContact O-N 3.36Å; E105-R107 VanDerWaalsContact O-N 3.14Å
106D65.5Low77.8Confident89 Ų89107.4 Ų107.448%0.47655%0.553SS.*THydrogen-bonded Turntrans60.412.3-174.2-49.4-34.5000118.1S108 Q109 R110D106-S108 VanDerWaalsContact C-N 3.28Å; D106-S108 PolarHBondContact O-N 3.17Å; D106-S108 VanDerWaalsContact O-N 3.15Å; D106-Q109 PolarHBondContact O-N 3.46Å; D106-Q109 VanDerWaalsContact O-N 3.14Å; D106-R110 PolarHBondContact O-N 3.21Å; D106-R110 VanDerWaalsContact O-N 3.16Å
107R65.8Low77.7Confident118 Ų118105 Ų10545%0.44555%0.545SS..Hα-helixtrans-51.9-40.8-178.1-172.5178.3-167.7-168-6.3114.3M104 E105 Y111M104-R107 HydrophobicContact CB-CB 4.28Å; M104-R107 HydrophobicContact CE-CG 4.47Å; M104-R107 WeakPolarHBondContact O-CB 3.25Å; E105-R107 PolarHBondContact O-N 3.36Å; E105-R107 VanDerWaalsContact O-N 3.14Å; R107-Y111 HydrophobicContact CG-CD2 3.99Å; R107-Y111 HydrophobicContact CG-CE2 3.52Å; R107-Y111 PolarHBondContact NE-OH 2.91Å; R107-Y111 PolarHBondContact NH2-OH 2.91Å; R107-Y111 VanDerWaalsContact NH2-OH 3.12Å; R107-Y111 WeakPolarHBondContact O-CD2 3.5Å; R107-Y111 PolarHBondContact O-N 3.44Å
108S64.4Low77.6Confident83 Ų83103.6 Ų103.658%0.5854%0.535SS*.Hα-helixtrans-70.2-40.8-179.649.50000112.8D106 Y111 L112D106-S108 VanDerWaalsContact C-N 3.28Å; D106-S108 PolarHBondContact O-N 3.17Å; D106-S108 VanDerWaalsContact O-N 3.15Å; S108-Y111 PolarHBondContact O-N 3.46Å; S108-L112 WeakPolarHBondContact O-CG 3.47Å; S108-L112 PolarHBondContact O-N 2.83Å; S108-L112 VanDerWaalsContact O-N 3.1Å
109Q69.2Low77.6Confident132 Ų132100.6 Ų100.662%0.61752%0.519SS*.Hα-helixtrans-65.7-40.1179.4-65.5-176.1-0.300111.3D106 L112 A113D106-Q109 PolarHBondContact O-N 3.46Å; D106-Q109 VanDerWaalsContact O-N 3.14Å; Q109-L112 PolarHBondContact O-N 3.09Å; Q109-A113 PolarHBondContact O-N 2.68Å
110R74Confident77.7Confident174 Ų17497.8 Ų97.866%0.65750%0.502SS*.Hα-helixtrans-65.6-38.1177.9-62.9-177.7-166.7-164.94.5113.1D106 D114D106-R110 PolarHBondContact O-N 3.21Å; D106-R110 VanDerWaalsContact O-N 3.16Å; R110-D114 PolarHBondContact O-N 2.95Å
111Y74.8Confident77.8Confident116 Ų11695.4 Ų95.446%0.45549%0.485SS..Hα-helixtrans-71.2-29173.1-70.6-53.8000113.4R107 S108 D114 T118R107-Y111 HydrophobicContact CG-CD2 3.99Å; R107-Y111 HydrophobicContact CG-CE2 3.52Å; R107-Y111 PolarHBondContact NE-OH 2.91Å; R107-Y111 PolarHBondContact NH2-OH 2.91Å; R107-Y111 VanDerWaalsContact NH2-OH 3.12Å; R107-Y111 WeakPolarHBondContact O-CD2 3.5Å; R107-Y111 PolarHBondContact O-N 3.44Å; S108-Y111 PolarHBondContact O-N 3.46Å; Y111-D114 CarbonylContact O-C 3.56Å; Y111-D114 VanDerWaalsContact O-C 3.24Å; Y111-T118 PolarHBondContact O-OG1 3.23Å; Y111-T118 VanDerWaalsContact O-OG1 3.09Å
112L73.5Confident78.3Confident125 Ų12590.8 Ų90.865%0.65447%0.467SS*.Hα-helixtrans-75.5-32175.5-72.1172.4000112.6S108 Q109 D114S108-L112 WeakPolarHBondContact O-CG 3.47Å; S108-L112 PolarHBondContact O-N 2.83Å; S108-L112 VanDerWaalsContact O-N 3.1Å; Q109-L112 PolarHBondContact O-N 3.09Å; L112-D114 VanDerWaalsContact C-N 3.25Å; L112-D114 PolarHBondContact O-N 2.72Å
113A79.1Confident78.8Confident92 Ų9292 Ų9276%0.7646%0.464SS*.Hα-helixtrans-63-32.4172.800000112.4Q109Q109-A113 PolarHBondContact O-N 2.68Å
114D84.7Confident79.5Confident71 Ų7190.9 Ų90.938%0.3845%0.449SS..THydrogen-bonded Turntrans-114.967.3172.1-171.51.9000111.5R110 Y111 L112 F116 T117 T118R110-D114 PolarHBondContact O-N 2.95Å; Y111-D114 CarbonylContact O-C 3.56Å; Y111-D114 VanDerWaalsContact O-C 3.24Å; L112-D114 VanDerWaalsContact C-N 3.25Å; L112-D114 PolarHBondContact O-N 2.72Å; D114-F116 PolarHBondContact O-N 3.1Å; D114-T117 WeakPolarHBondContact OD1-CG2 2.98Å; D114-T117 PolarHBondContact OD1-N 2.92Å; D114-T117 PolarHBondContact OD1-OG1 3.26Å; D114-T117 WeakPolarHBondContact OD2-CB 3.44Å; D114-T117 WeakPolarHBondContact OD2-CG2 3.47Å; D114-T117 PolarHBondContact OD2-OG1 3.49Å; D114-T118 WeakPolarHBondContact O-CB 3.48Å; D114-T118 PolarHBondContact O-N 3.23Å; D114-T118 PolarHBondContact O-OG1 3.41Å
115I85Confident80.7Confident97 Ų9797.3 Ų97.350%0.49747%0.469SS..Hα-helixtrans-64.1-29.8179.5-162.6167000112.4C119I115-C119 WeakPolarHBondContact O-CB 3.27Å; I115-C119 PolarHBondContact O-N 2.98Å; I115-C119 PolarHBondContact O-SG 3.09Å
116F86.7Confident82.2Confident96 Ų9697.3 Ų97.342%0.42146%0.464SS..Hα-helixtrans-70.3-51.4-178.2-179.7-103.3000111.7D114 T118 C119 V120 F241 A248D114-F116 PolarHBondContact O-N 3.1Å; F116-T118 VanDerWaalsContact C-N 3.26Å; F116-T118 PolarHBondContact O-N 3.43Å; F116-C119 PolarHBondContact O-N 3.46Å; F116-V120 HydrophobicContact CD2-CG2 4.41Å; F116-V120 HydrophobicContact CE1-CG2 4.17Å; F116-V120 HydrophobicContact CE2-CG2 4.04Å; F116-V120 HydrophobicContact CZ-CG2 3.92Å; F116-V120 WeakPolarHBondContact O-CG2 3.28Å; F116-V120 PolarHBondContact O-N 3.07Å; F116-F241 HydrophobicContact CD2-CE2 4.32Å; F116-A248 HydrophobicContact CZ-CB 3.88Å
117T86.9Confident83.5Confident54 Ų5493 Ų9333%0.33144%0.441SS..Hα-helixtrans-63.2-38.4177.167.10000110.8D114 C119 V120 D121D114-T117 WeakPolarHBondContact OD1-CG2 2.98Å; D114-T117 PolarHBondContact OD1-N 2.92Å; D114-T117 PolarHBondContact OD1-OG1 3.26Å; D114-T117 WeakPolarHBondContact OD2-CB 3.44Å; D114-T117 WeakPolarHBondContact OD2-CG2 3.47Å; D114-T117 PolarHBondContact OD2-OG1 3.49Å; T117-C119 PolarHBondContact O-N 3.14Å; T117-V120 CarbonylContact O-C 3.58Å; T117-V120 PolarHBondContact O-N 2.97Å; T117-V120 VanDerWaalsContact O-N 3.16Å; T117-D121 WeakPolarHBondContact O-CB 3.02Å; T117-D121 PolarHBondContact O-N 3.14Å
118T88.1Confident84.9Confident41 Ų4191.6 Ų91.625%0.25244%0.442SS..Hα-helixtrans-55.2-51.4174.7-60.70000111.9Y111 D114 F116 V120 D121 I122Y111-T118 PolarHBondContact O-OG1 3.23Å; Y111-T118 VanDerWaalsContact O-OG1 3.09Å; D114-T118 WeakPolarHBondContact O-CB 3.48Å; D114-T118 PolarHBondContact O-N 3.23Å; D114-T118 PolarHBondContact O-OG1 3.41Å; F116-T118 VanDerWaalsContact C-N 3.26Å; F116-T118 PolarHBondContact O-N 3.43Å; T118-V120 VanDerWaalsContact C-N 3.34Å; T118-V120 PolarHBondContact O-N 2.71Å; T118-D121 PolarHBondContact O-N 2.83Å; T118-I122 WeakPolarHBondContact O-CG2 3.4Å; T118-I122 PolarHBondContact O-N 2.77Å
119C89.4Confident86.4Confident11 Ų1192.5 Ų92.57%0.07444%0.44CS..Hα-helixtrans-61-37.8176.1-76.10000113.3I115 F116 T117 D121 I122 L127 T245 K249I115-C119 WeakPolarHBondContact O-CB 3.27Å; I115-C119 PolarHBondContact O-N 2.98Å; I115-C119 PolarHBondContact O-SG 3.09Å; F116-C119 PolarHBondContact O-N 3.46Å; T117-C119 PolarHBondContact O-N 3.14Å; C119-D121 VanDerWaalsContact C-N 3.35Å; C119-I122 VanDerWaalsContact O-CG1 3.22Å; C119-I122 WeakPolarHBondContact O-CG1 3.49Å; C119-L127 HydrophobicContact CB-CD1 4.16Å; C119-T245 HydrophobicContact CB-CG2 3.96Å; C119-K249 PolarHBondContact O-NZ 3.4Å
120V89.8Confident87.5Confident2 Ų289.9 Ų89.91%0.01243%0.429CS..Hα-helixtrans-77.3-20.4178.6-173.50000112F116 T117 T118 T245 A248 K249 R252F116-V120 HydrophobicContact CD2-CG2 4.41Å; F116-V120 HydrophobicContact CE1-CG2 4.17Å; F116-V120 HydrophobicContact CE2-CG2 4.04Å; F116-V120 HydrophobicContact CZ-CG2 3.92Å; F116-V120 WeakPolarHBondContact O-CG2 3.28Å; F116-V120 PolarHBondContact O-N 3.07Å; T117-V120 CarbonylContact O-C 3.58Å; T117-V120 PolarHBondContact O-N 2.97Å; T117-V120 VanDerWaalsContact O-N 3.16Å; T118-V120 VanDerWaalsContact C-N 3.34Å; T118-V120 PolarHBondContact O-N 2.71Å; V120-T245 HydrophobicContact CG2-CG2 3.91Å; V120-A248 HydrophobicContact CG1-CB 4.49Å; V120-A248 HydrophobicContact CG2-CB 4.22Å; V120-K249 HydrophobicContact CG1-CB 4.01Å; V120-K249 HydrophobicContact CG1-CG 4.35Å; V120-K249 PolarHBondContact O-NZ 2.86Å; V120-R252 HydrophobicContact CG1-CG 4.11Å
121D87.9Confident88.5Confident75 Ų7582 Ų8240%0.40140%0.4SS..Hα-helixtrans-93.9-29.1179-88.8-62000116.4T117 T118 C119 R252 K254T117-D121 WeakPolarHBondContact O-CB 3.02Å; T117-D121 PolarHBondContact O-N 3.14Å; T118-D121 PolarHBondContact O-N 2.83Å; C119-D121 VanDerWaalsContact C-N 3.35Å; D121-R252 IonicContact OD1-CZ 3.77Å; D121-R252 IonicContact OD1-NH1 2.96Å; D121-R252 PolarHBondContact OD1-NH1 2.84Å; D121-R252 IonicContact OD2-CZ 3.64Å; D121-R252 IonicContact OD2-NH1 3.7Å; D121-R252 PolarHBondContact OD2-NH1 2.8Å; D121-R252 IonicContact OD2-NH2 3.7Å; D121-R252 PolarHBondContact OD2-NH2 2.96Å; D121-K254 IonicContact OD1-NZ 3.33Å; D121-K254 PolarHBondContact OD1-NZ 3.16Å
122I90.1Very high89.5Confident47 Ų4780.1 Ų80.124%0.24140%0.402CS..SBendtrans-57.3161.5175.454.8171.7000113.4T118 C119 L127 I130 K249T118-I122 WeakPolarHBondContact O-CG2 3.4Å; T118-I122 PolarHBondContact O-N 2.77Å; C119-I122 VanDerWaalsContact O-CG1 3.22Å; C119-I122 WeakPolarHBondContact O-CG1 3.49Å; I122-L127 HydrophobicContact CD1-CB 4.06Å; I122-L127 HydrophobicContact CD1-CD1 4.28Å; I122-L127 HydrophobicContact CG1-CB 4.33Å; I122-I130 HydrophobicContact CD1-CD1 3.63Å; I122-K249 WeakPolarHBondContact O-CE 3.26Å; I122-K249 PolarHBondContact O-NZ 3.07Å
123H91.1Very high90.6Very high144 Ų14477 Ų7767%0.66739%0.389SS*.  trans-65.6147.8175.4-66.8-90.5000112.4R125 Y126 L127H123-R125 PolarHBondContact O-N 2.93Å; H123-R125 VanDerWaalsContact O-N 3.12Å; H123-Y126 HydrophobicContact CB-CD2 3.9Å; H123-Y126 HydrophobicContact CB-CE2 4.26Å; H123-Y126 PolarHBondContact O-N 2.87Å; H123-L127 PolarHBondContact O-N 3.18Å; H123-L127 VanDerWaalsContact O-N 3.16Å
124W91.9Very high91.4Very high115 Ų11574.8 Ų74.844%0.43637%0.367SS..Hα-helixtrans-48-40.3178.6-80.6106000114.3Y126 L127 L128 I246 K249 M250W124-Y126 VanDerWaalsContact C-N 3.32Å; W124-Y126 PolarHBondContact O-N 3.42Å; W124-L127 HydrophobicContact CZ3-CD2 4.46Å; W124-L127 PolarHBondContact O-N 3.35Å; W124-L128 WeakPolarHBondContact O-CG 3.25Å; W124-L128 PolarHBondContact O-N 3.38Å; W124-I246 HydrophobicContact CH2-CG2 4.32Å; W124-I246 HydrophobicContact CZ3-CG2 4.4Å; W124-K249 HydrophobicContact CD2-CD 3.83Å; W124-K249 HydrophobicContact CE3-CD 3.91Å; W124-K249 HydrophobicContact CH2-CB 4.06Å; W124-K249 HydrophobicContact CH2-CD 3.69Å; W124-K249 HydrophobicContact CH2-CG 4Å; W124-K249 HydrophobicContact CZ2-CB 4.13Å; W124-K249 HydrophobicContact CZ2-CD 3.6Å; W124-K249 HydrophobicContact CZ2-CG 3.67Å; W124-K249 HydrophobicContact CZ3-CD 3.84Å; W124-M250 HydrophobicContact CH2-CG 3.79Å; W124-M250 HydrophobicContact CZ2-CG 4.07Å
125R94.8Very high91.9Very high218 Ų21872.9 Ų72.982%0.82336%0.356SS*.Hα-helixtrans-58.4-41.9178.2-65.6-177.6179.7177.3-1.4112.5H123 L129H123-R125 PolarHBondContact O-N 2.93Å; H123-R125 VanDerWaalsContact O-N 3.12Å; R125-L129 VanDerWaalsContact O-CB 3.25Å; R125-L129 WeakPolarHBondContact O-CB 3.26Å; R125-L129 PolarHBondContact O-N 3.42Å; R125-L129 VanDerWaalsContact O-N 3.11Å
126Y93.8Very high92.4Very high143 Ų14373.1 Ų73.156%0.56136%0.357SS*.Hα-helixtrans-74.7-37.9178.3-59.5-61.8000111.8H123 W124 L129 I130H123-Y126 HydrophobicContact CB-CD2 3.9Å; H123-Y126 HydrophobicContact CB-CE2 4.26Å; H123-Y126 PolarHBondContact O-N 2.87Å; W124-Y126 VanDerWaalsContact C-N 3.32Å; W124-Y126 PolarHBondContact O-N 3.42Å; Y126-L129 PolarHBondContact O-N 3.49Å; Y126-I130 WeakPolarHBondContact O-CD1 3.34Å; Y126-I130 VanDerWaalsContact O-CG1 3.25Å; Y126-I130 WeakPolarHBondContact O-CG1 3.41Å; Y126-I130 PolarHBondContact O-N 3.08Å
127L93.5Very high92.9Very high0 Ų073.1 Ų73.10%036%0.361CS..Hα-helixtrans-63.4-47.8177.5-176.463.9000111.9C119 I122 H123 W124 L129 I130 F131 T245 K249C119-L127 HydrophobicContact CB-CD1 4.16Å; I122-L127 HydrophobicContact CD1-CB 4.06Å; I122-L127 HydrophobicContact CD1-CD1 4.28Å; I122-L127 HydrophobicContact CG1-CB 4.33Å; H123-L127 PolarHBondContact O-N 3.18Å; H123-L127 VanDerWaalsContact O-N 3.16Å; W124-L127 HydrophobicContact CZ3-CD2 4.46Å; W124-L127 PolarHBondContact O-N 3.35Å; L127-L129 VanDerWaalsContact C-N 3.32Å; L127-L129 PolarHBondContact O-N 2.88Å; L127-I130 PolarHBondContact O-N 2.96Å; L127-F131 HydrophobicContact CD1-CD2 4Å; L127-F131 HydrophobicContact CD1-CE2 3.4Å; L127-F131 HydrophobicContact CD1-CZ 4.11Å; L127-F131 HydrophobicContact CD2-CE2 4.19Å; L127-F131 HydrophobicContact CG-CD2 3.95Å; L127-F131 HydrophobicContact CG-CE2 3.64Å; L127-F131 VanDerWaalsContact O-CD2 3.27Å; L127-F131 WeakPolarHBondContact O-CD2 3.29Å; L127-F131 PolarHBondContact O-N 2.9Å; L127-F131 VanDerWaalsContact O-N 3.08Å; L127-T245 HydrophobicContact CD1-CG2 3.91Å; L127-T245 HydrophobicContact CD2-CG2 4.08Å; L127-K249 HydrophobicContact CD2-CD 3.42Å; L127-K249 VanDerWaalsContact CD2-CD 3.42Å
128L94.1Very high93.4Very high87 Ų8771 Ų7146%0.45535%0.348SS..Hα-helixtrans-62.1-41.7176.2-67.2173.3000111W124 I130 F131 C132W124-L128 WeakPolarHBondContact O-CG 3.25Å; W124-L128 PolarHBondContact O-N 3.38Å; L128-I130 PolarHBondContact O-N 3.44Å; L128-F131 PolarHBondContact O-N 3.39Å; L128-C132 WeakPolarHBondContact O-CB 3.32Å; L128-C132 PolarHBondContact O-N 3.2Å; L128-C132 PolarHBondContact O-SG 3.48Å
129L95.3Very high93.9Very high103 Ų10371.7 Ų71.754%0.53935%0.346SS..Hα-helixtrans-60.8-42175.8-175.3148.9000112.2R125 Y126 L127 C132 T133R125-L129 VanDerWaalsContact O-CB 3.25Å; R125-L129 WeakPolarHBondContact O-CB 3.26Å; R125-L129 PolarHBondContact O-N 3.42Å; R125-L129 VanDerWaalsContact O-N 3.11Å; Y126-L129 PolarHBondContact O-N 3.49Å; L127-L129 VanDerWaalsContact C-N 3.32Å; L127-L129 PolarHBondContact O-N 2.88Å; L129-C132 PolarHBondContact O-N 2.92Å; L129-T133 HydrophobicContact CD2-CG2 4.19Å; L129-T133 WeakPolarHBondContact O-CG2 3.47Å; L129-T133 PolarHBondContact O-N 3.45Å; L129-T133 PolarHBondContact O-OG1 2.83Å
130I93.9Very high94.2Very high76 Ų7674.8 Ų74.839%0.3936%0.362SS..Hα-helixtrans-62.3-42.6176.3-72162.6000111.3I122 Y126 L127 L128 T133 S134I122-I130 HydrophobicContact CD1-CD1 3.63Å; Y126-I130 WeakPolarHBondContact O-CD1 3.34Å; Y126-I130 VanDerWaalsContact O-CG1 3.25Å; Y126-I130 WeakPolarHBondContact O-CG1 3.41Å; Y126-I130 PolarHBondContact O-N 3.08Å; L127-I130 PolarHBondContact O-N 2.96Å; L128-I130 PolarHBondContact O-N 3.44Å; I130-T133 PolarHBondContact O-OG1 3.33Å; I130-T133 VanDerWaalsContact O-OG1 3.11Å; I130-S134 VanDerWaalsContact O-CB 3.3Å; I130-S134 WeakPolarHBondContact O-CB 3.43Å; I130-S134 PolarHBondContact O-N 3.37Å
131F94.9Very high94.6Very high10 Ų1078.9 Ų78.94%0.04438%0.383CS..Hα-helixtrans-67.6-46.8175.9-73.9-57.8000112.1L127 L128 T133 S134 F135 F241 M242 T245 I246L127-F131 HydrophobicContact CD1-CD2 4Å; L127-F131 HydrophobicContact CD1-CE2 3.4Å; L127-F131 HydrophobicContact CD1-CZ 4.11Å; L127-F131 HydrophobicContact CD2-CE2 4.19Å; L127-F131 HydrophobicContact CG-CD2 3.95Å; L127-F131 HydrophobicContact CG-CE2 3.64Å; L127-F131 VanDerWaalsContact O-CD2 3.27Å; L127-F131 WeakPolarHBondContact O-CD2 3.29Å; L127-F131 PolarHBondContact O-N 2.9Å; L127-F131 VanDerWaalsContact O-N 3.08Å; L128-F131 PolarHBondContact O-N 3.39Å; F131-T133 VanDerWaalsContact C-N 3.33Å; F131-T133 PolarHBondContact O-N 3.37Å; F131-S134 WeakPolarHBondContact O-CB 3.41Å; F131-S134 PolarHBondContact O-N 3.28Å; F131-S134 VanDerWaalsContact O-N 3.16Å; F131-F135 WeakPolarHBondContact O-CD2 3.33Å; F131-F135 PolarHBondContact O-N 2.96Å; F131-F241 AromaticContact CE1-CD1 3.85Å; F131-F241 HydrophobicContact CE1-CD1 3.85Å; F131-F241 HydrophobicContact CE1-CE1 4.32Å; F131-F241 HydrophobicContact CZ-CD1 4.18Å; F131-F241 HydrophobicContact CZ-CE1 4.36Å; F131-M242 HydrophobicContact CB-SD 4.47Å; F131-M242 HydrophobicContact CD1-CB 3.8Å; F131-M242 HydrophobicContact CD1-CG 3.99Å; F131-M242 HydrophobicContact CD2-CG 4.06Å; F131-M242 VanDerWaalsContact CE1-CA 3.46Å; F131-M242 HydrophobicContact CE1-CB 3.73Å; F131-M242 HydrophobicContact CE1-CG 4.21Å; F131-M242 HydrophobicContact CE2-CG 4.24Å; F131-M242 HydrophobicContact CG-CB 4.29Å; F131-M242 HydrophobicContact CG-CG 3.95Å; F131-M242 HydrophobicContact CG-SD 4.46Å; F131-M242 HydrophobicContact CZ-CB 4.15Å; F131-M242 HydrophobicContact CZ-CG 4.36Å; F131-T245 HydrophobicContact CE2-CG2 4.32Å; F131-T245 HydrophobicContact CZ-CG2 4.19Å; F131-I246 HydrophobicContact CE2-CG1 4.46Å
132C95.4Very high95Very high76 Ų7676.1 Ų76.151%0.51437%0.367SS..Hα-helixtrans-57.6-43.3176.1-680000112.3L128 L129 L136L128-C132 WeakPolarHBondContact O-CB 3.32Å; L128-C132 PolarHBondContact O-N 3.2Å; L128-C132 PolarHBondContact O-SG 3.48Å; L129-C132 PolarHBondContact O-N 2.92Å; C132-L136 WeakPolarHBondContact O-CB 3.38Å; C132-L136 VanDerWaalsContact O-CG 3.25Å; C132-L136 WeakPolarHBondContact O-CG 3.29Å; C132-L136 PolarHBondContact O-N 3.25Å
133T95.8Very high95.3Very high59 Ų5973.9 Ų73.936%0.36236%0.356SS..Hα-helixtrans-69.3-37176.354.30000112.2L129 I130 F131 L136 I137L129-T133 HydrophobicContact CD2-CG2 4.19Å; L129-T133 WeakPolarHBondContact O-CG2 3.47Å; L129-T133 PolarHBondContact O-N 3.45Å; L129-T133 PolarHBondContact O-OG1 2.83Å; I130-T133 PolarHBondContact O-OG1 3.33Å; I130-T133 VanDerWaalsContact O-OG1 3.11Å; F131-T133 VanDerWaalsContact C-N 3.33Å; F131-T133 PolarHBondContact O-N 3.37Å; T133-L136 PolarHBondContact O-N 3.38Å; T133-I137 VanDerWaalsContact O-CB 3.31Å; T133-I137 WeakPolarHBondContact O-CB 3.41Å; T133-I137 WeakPolarHBondContact O-CD1 3.21Å; T133-I137 WeakPolarHBondContact O-CG1 3.34Å; T133-I137 PolarHBondContact O-N 2.99Å
134S95.5Very high95.6Very high45 Ų4570.8 Ų70.832%0.31534%0.343SS..Hα-helixtrans-58-49.3173.6-171.40000112I130 F131 I137 S138I130-S134 VanDerWaalsContact O-CB 3.3Å; I130-S134 WeakPolarHBondContact O-CB 3.43Å; I130-S134 PolarHBondContact O-N 3.37Å; F131-S134 WeakPolarHBondContact O-CB 3.41Å; F131-S134 PolarHBondContact O-N 3.28Å; F131-S134 VanDerWaalsContact O-N 3.16Å; S134-I137 PolarHBondContact O-N 3.32Å; S134-S138 WeakPolarHBondContact O-CB 3.38Å; S134-S138 PolarHBondContact O-N 2.56Å; S134-S138 PolarHBondContact O-OG 2.88Å
135F95.9Very high95.8Very high31 Ų3168.2 Ų68.214%0.13634%0.338CS..Hα-helixtrans-60.3-51.2175.8-75.6-67.4000111.9F131 I137 S138 W139 I238 D239 M242F131-F135 WeakPolarHBondContact O-CD2 3.33Å; F131-F135 PolarHBondContact O-N 2.96Å; F135-I137 VanDerWaalsContact C-N 3.31Å; F135-I137 PolarHBondContact O-N 3.4Å; F135-S138 WeakPolarHBondContact CA-OG 3.49Å; F135-S138 PolarHBondContact O-N 2.78Å; F135-S138 VanDerWaalsContact O-N 3.15Å; F135-S138 PolarHBondContact O-OG 3.07Å; F135-W139 HydrophobicContact CB-CH2 4.29Å; F135-W139 HydrophobicContact CB-CZ2 3.94Å; F135-W139 HydrophobicContact CD1-CZ2 4.35Å; F135-W139 HydrophobicContact CG-CZ2 4.39Å; F135-W139 VanDerWaalsContact O-CG 3.26Å; F135-W139 PolarHBondContact O-N 3.28Å; F135-I238 HydrophobicContact CD1-CG2 4.09Å; F135-I238 HydrophobicContact CE1-CB 4.42Å; F135-I238 HydrophobicContact CE1-CG2 3.59Å; F135-I238 HydrophobicContact CE2-CG2 4.23Å; F135-I238 HydrophobicContact CZ-CG2 3.66Å; F135-D239 VanDerWaalsContact CE1-OD1 3.31Å; F135-D239 WeakPolarHBondContact CE1-OD1 3.34Å; F135-D239 WeakPolarHBondContact CZ-OD1 3.46Å; F135-M242 HydrophobicContact CE2-CE 4.19Å; F135-M242 HydrophobicContact CE2-SD 3.68Å; F135-M242 HydrophobicContact CZ-CE 4.04Å; F135-M242 HydrophobicContact CZ-SD 4.1Å
136L96.2Very high95.8Very high102 Ų10257.9 Ų57.953%0.53430%0.298SS..Hα-helixtrans-57.8-41.6179.1-71.4169.5000112.6C132 T133 W139 L140C132-L136 WeakPolarHBondContact O-CB 3.38Å; C132-L136 VanDerWaalsContact O-CG 3.25Å; C132-L136 WeakPolarHBondContact O-CG 3.29Å; C132-L136 PolarHBondContact O-N 3.25Å; T133-L136 PolarHBondContact O-N 3.38Å; L136-W139 HydrophobicContact CD2-CE3 3.99Å; L136-W139 HydrophobicContact CD2-CZ3 3.97Å; L136-L140 VanDerWaalsContact O-CB 3.27Å; L136-L140 WeakPolarHBondContact O-CB 3.19Å; L136-L140 PolarHBondContact O-N 3.35Å
137I97.3Very high95.9Very high96 Ų9654.6 Ų54.649%0.49229%0.286SS..Hα-helixtrans-66-44.9176.9-70.9165.4000110.6T133 S134 F135 L140 I141T133-I137 VanDerWaalsContact O-CB 3.31Å; T133-I137 WeakPolarHBondContact O-CB 3.41Å; T133-I137 WeakPolarHBondContact O-CD1 3.21Å; T133-I137 WeakPolarHBondContact O-CG1 3.34Å; T133-I137 PolarHBondContact O-N 2.99Å; S134-I137 PolarHBondContact O-N 3.32Å; F135-I137 VanDerWaalsContact C-N 3.31Å; F135-I137 PolarHBondContact O-N 3.4Å; I137-L140 PolarHBondContact O-N 3.18Å; I137-I141 HydrophobicContact CG2-CD1 3.67Å; I137-I141 HydrophobicContact CG2-CG1 4.38Å; I137-I141 VanDerWaalsContact O-CG1 3.3Å; I137-I141 WeakPolarHBondContact O-CG1 3.44Å; I137-I141 PolarHBondContact O-N 2.85Å
138S97.3Very high95.9Very high10 Ų1057.3 Ų57.37%0.0731%0.305CS..Hα-helixtrans-62.6-46.6177.9630000112.4S134 F135 L140 I141 F142 Q207S134-S138 WeakPolarHBondContact O-CB 3.38Å; S134-S138 PolarHBondContact O-N 2.56Å; S134-S138 PolarHBondContact O-OG 2.88Å; F135-S138 WeakPolarHBondContact CA-OG 3.49Å; F135-S138 PolarHBondContact O-N 2.78Å; F135-S138 VanDerWaalsContact O-N 3.15Å; F135-S138 PolarHBondContact O-OG 3.07Å; S138-L140 VanDerWaalsContact C-N 3.29Å; S138-L140 PolarHBondContact O-N 3.14Å; S138-I141 PolarHBondContact O-N 3.19Å; S138-F142 VanDerWaalsContact O-CD2 3.29Å; S138-F142 WeakPolarHBondContact O-CD2 3.37Å; S138-F142 PolarHBondContact O-N 3.44Å; S138-Q207 PolarHBondContact OG-NE2 2.87Å; S138-Q207 PolarHBondContact OG-OE1 2.75Å
139W97.3Very high95.8Very high55 Ų5553.9 Ų53.921%0.20829%0.287CS..Hα-helixtrans-60.2-39.9175.7-59.8-21.6000111.9F135 L136 G143 L200 S203 M204 T208F135-W139 HydrophobicContact CB-CH2 4.29Å; F135-W139 HydrophobicContact CB-CZ2 3.94Å; F135-W139 HydrophobicContact CD1-CZ2 4.35Å; F135-W139 HydrophobicContact CG-CZ2 4.39Å; F135-W139 VanDerWaalsContact O-CG 3.26Å; F135-W139 PolarHBondContact O-N 3.28Å; L136-W139 HydrophobicContact CD2-CE3 3.99Å; L136-W139 HydrophobicContact CD2-CZ3 3.97Å; W139-G143 WeakPolarHBondContact O-CA 3.42Å; W139-G143 PolarHBondContact O-N 3.44Å; W139-L200 HydrophobicContact CB-CD1 4.3Å; W139-L200 WeakPolarHBondContact O-CD1 3.11Å; W139-S203 WeakPolarHBondContact CA-OG 3.47Å; W139-S203 WeakPolarHBondContact O-CB 3.35Å; W139-S203 PolarHBondContact O-OG 2.89Å; W139-M204 HydrophobicContact CD2-CB 4.31Å; W139-M204 HydrophobicContact CD2-CG 4.03Å; W139-M204 HydrophobicContact CE3-CG 4.12Å; W139-M204 HydrophobicContact CG-CB 4.41Å; W139-M204 HydrophobicContact CH2-CG 4.32Å; W139-M204 HydrophobicContact CZ2-CG 4.22Å; W139-M204 HydrophobicContact CZ3-CG 4.26Å; W139-M204 HydrophobicContact CZ3-SD 4.43Å; W139-T208 HydrophobicContact CZ2-CG2 3.64Å
140L97.5Very high95.6Very high77 Ų7749 Ų4940%0.40326%0.262SS..Hα-helixtrans-64.2-47.7176.6-170.277.3000111.8L136 I137 S138 G143 I144 F196L136-L140 VanDerWaalsContact O-CB 3.27Å; L136-L140 WeakPolarHBondContact O-CB 3.19Å; L136-L140 PolarHBondContact O-N 3.35Å; I137-L140 PolarHBondContact O-N 3.18Å; S138-L140 VanDerWaalsContact C-N 3.29Å; S138-L140 PolarHBondContact O-N 3.14Å; L140-G143 PolarHBondContact O-N 2.77Å; L140-I144 HydrophobicContact CG-CD1 4.07Å; L140-I144 VanDerWaalsContact O-CG1 3.26Å; L140-I144 WeakPolarHBondContact O-CG1 3.3Å; L140-I144 PolarHBondContact O-N 2.89Å; L140-F196 HydrophobicContact CD1-CZ 3.85Å
141I97.4Very high95.5Very high88 Ų8850.1 Ų50.145%0.45127%0.268SS..Hα-helixtrans-60.7-52.1179.8-70.8167000110.4I137 S138 G143 I144 I145I137-I141 HydrophobicContact CG2-CD1 3.67Å; I137-I141 HydrophobicContact CG2-CG1 4.38Å; I137-I141 VanDerWaalsContact O-CG1 3.3Å; I137-I141 WeakPolarHBondContact O-CG1 3.44Å; I137-I141 PolarHBondContact O-N 2.85Å; S138-I141 PolarHBondContact O-N 3.19Å; I141-G143 VanDerWaalsContact C-N 3.32Å; I141-G143 PolarHBondContact O-N 3.04Å; I141-I144 PolarHBondContact O-N 2.99Å; I141-I145 HydrophobicContact CG2-CD1 3.97Å; I141-I145 WeakPolarHBondContact O-CG1 3.41Å; I141-I145 PolarHBondContact O-N 2.96Å
142F97Very high95.2Very high17 Ų1754 Ų548%0.07530%0.302CS..Hα-helixtrans-66.4-34.1178-73.9-68.5000112.4S138 I144 I145 F146 S203 T227 I230 Q231 V234S138-F142 VanDerWaalsContact O-CD2 3.29Å; S138-F142 WeakPolarHBondContact O-CD2 3.37Å; S138-F142 PolarHBondContact O-N 3.44Å; F142-I144 PolarHBondContact O-N 3.48Å; F142-I145 HydrophobicContact CD1-CD1 4.18Å; F142-I145 PolarHBondContact O-N 2.83Å; F142-F146 HydrophobicContact CB-CD2 4.5Å; F142-F146 HydrophobicContact CB-CE2 4.19Å; F142-F146 WeakPolarHBondContact O-CD2 3.3Å; F142-F146 WeakPolarHBondContact O-CG 3.3Å; F142-F146 PolarHBondContact O-N 2.83Å; F142-S203 WeakPolarHBondContact CB-OG 3.45Å; F142-T227 HydrophobicContact CD1-CG2 3.92Å; F142-T227 HydrophobicContact CE1-CG2 4.4Å; F142-I230 HydrophobicContact CE1-CG2 4.22Å; F142-I230 HydrophobicContact CZ-CG2 4.27Å; F142-Q231 HydrophobicContact CB-CG 4.4Å; F142-Q231 HydrophobicContact CD1-CB 3.8Å; F142-Q231 HydrophobicContact CD1-CG 4.11Å; F142-Q231 HydrophobicContact CD2-CB 4.18Å; F142-Q231 HydrophobicContact CD2-CG 3.68Å; F142-Q231 HydrophobicContact CE1-CB 3.72Å; F142-Q231 HydrophobicContact CE1-CG 4.31Å; F142-Q231 HydrophobicContact CE2-CB 4.11Å; F142-Q231 HydrophobicContact CE2-CG 3.91Å; F142-Q231 HydrophobicContact CG-CB 4.04Å; F142-Q231 HydrophobicContact CG-CG 3.81Å; F142-Q231 HydrophobicContact CZ-CB 3.89Å; F142-Q231 HydrophobicContact CZ-CG 4.22Å; F142-V234 HydrophobicContact CE2-CB 4.21Å; F142-V234 HydrophobicContact CE2-CG1 4.06Å; F142-V234 HydrophobicContact CZ-CB 4.19Å; F142-V234 HydrophobicContact CZ-CG1 4.44Å; F142-V234 HydrophobicContact CZ-CG2 4.24Å
143G96.4Very high94.9Very high0 Ų052.3 Ų52.30%029%0.286CS..Hα-helixtrans-63.1-39.8173.300000112.9W139 L140 I141 Y147 A199 S203W139-G143 WeakPolarHBondContact O-CA 3.42Å; W139-G143 PolarHBondContact O-N 3.44Å; L140-G143 PolarHBondContact O-N 2.77Å; I141-G143 VanDerWaalsContact C-N 3.32Å; I141-G143 PolarHBondContact O-N 3.04Å; G143-Y147 WeakPolarHBondContact O-CB 3.34Å; G143-Y147 PolarHBondContact O-N 2.94Å; G143-A199 WeakPolarHBondContact O-CB 3.46Å; G143-S203 PolarHBondContact N-OG 2.89Å
144I96.8Very high94.5Very high79 Ų7950 Ų5041%0.40528%0.275SS..Hα-helixtrans-65.1-42.1171.9-68.9165.2000110.6L140 I141 F142 Y147 S148 F196L140-I144 HydrophobicContact CG-CD1 4.07Å; L140-I144 VanDerWaalsContact O-CG1 3.26Å; L140-I144 WeakPolarHBondContact O-CG1 3.3Å; L140-I144 PolarHBondContact O-N 2.89Å; I141-I144 PolarHBondContact O-N 2.99Å; F142-I144 PolarHBondContact O-N 3.48Å; I144-Y147 PolarHBondContact O-N 3.36Å; I144-S148 VanDerWaalsContact O-CB 3.3Å; I144-S148 WeakPolarHBondContact O-CB 3.37Å; I144-S148 PolarHBondContact O-N 2.87Å; I144-S148 PolarHBondContact O-OG 2.79Å; I144-F196 HydrophobicContact CG1-CE2 3.75Å; I144-F196 HydrophobicContact CG1-CZ 4.33Å
145I96.1Very high94Very high61 Ų6149.6 Ų49.631%0.31327%0.269SS..Hα-helixtrans-62.8-51.9177.7-65.3163.7000110.4I141 F142 Y147 S148 V149 T227I141-I145 HydrophobicContact CG2-CD1 3.97Å; I141-I145 WeakPolarHBondContact O-CG1 3.41Å; I141-I145 PolarHBondContact O-N 2.96Å; F142-I145 HydrophobicContact CD1-CD1 4.18Å; F142-I145 PolarHBondContact O-N 2.83Å; I145-Y147 VanDerWaalsContact C-N 3.34Å; I145-Y147 PolarHBondContact O-N 3.34Å; I145-S148 CarbonylContact O-C 3.6Å; I145-S148 WeakPolarHBondContact O-CB 3.47Å; I145-S148 PolarHBondContact O-N 3.2Å; I145-S148 VanDerWaalsContact O-N 3.09Å; I145-V149 HydrophobicContact CG2-CG2 4.37Å; I145-V149 WeakPolarHBondContact O-CG2 3.39Å; I145-V149 PolarHBondContact O-N 3.46Å; I145-T227 HydrophobicContact CB-CG2 4.35Å; I145-T227 HydrophobicContact CG2-CG2 3.63Å
146F95.3Very high93.3Very high0 Ų050.9 Ų50.90%027%0.274CS..Hα-helixtrans-60.9-41.2177.6-68.5-52.7000112.7F142 S148 V149 A150 I190 A199 F202 T227 V228F142-F146 HydrophobicContact CB-CD2 4.5Å; F142-F146 HydrophobicContact CB-CE2 4.19Å; F142-F146 WeakPolarHBondContact O-CD2 3.3Å; F142-F146 WeakPolarHBondContact O-CG 3.3Å; F142-F146 PolarHBondContact O-N 2.83Å; F146-S148 VanDerWaalsContact C-N 3.3Å; F146-S148 PolarHBondContact O-N 2.81Å; F146-V149 PolarHBondContact O-N 3.07Å; F146-A150 WeakPolarHBondContact O-CB 3.36Å; F146-A150 PolarHBondContact O-N 3.18Å; F146-I190 HydrophobicContact CB-CD1 3.73Å; F146-I190 HydrophobicContact CD1-CD1 3.64Å; F146-I190 HydrophobicContact CE1-CD1 4.49Å; F146-I190 HydrophobicContact CG-CD1 3.87Å; F146-A199 HydrophobicContact CB-CB 4.24Å; F146-F202 HydrophobicContact CD1-CD1 4.3Å; F146-F202 HydrophobicContact CD1-CE1 4.08Å; F146-F202 AromaticContact CD2-CD1 3.78Å; F146-F202 HydrophobicContact CD2-CD1 3.78Å; F146-F202 HydrophobicContact CD2-CE1 4.17Å; F146-F202 HydrophobicContact CE1-CD1 4.38Å; F146-F202 AromaticContact CE1-CE1 3.82Å; F146-F202 HydrophobicContact CE1-CE1 3.82Å; F146-F202 AromaticContact CE2-CD1 3.88Å; F146-F202 HydrophobicContact CE2-CD1 3.88Å; F146-F202 AromaticContact CE2-CE1 3.92Å; F146-F202 HydrophobicContact CE2-CE1 3.92Å; F146-F202 HydrophobicContact CG-CD1 4.01Å; F146-F202 HydrophobicContact CG-CE1 4.25Å; F146-F202 HydrophobicContact CZ-CD1 4.18Å; F146-F202 AromaticContact CZ-CE1 3.74Å; F146-F202 HydrophobicContact CZ-CE1 3.74Å; F146-T227 HydrophobicContact CD1-CG2 3.99Å; F146-T227 HydrophobicContact CE1-CG2 3.45Å; F146-T227 VanDerWaalsContact CE1-CG2 3.45Å; F146-T227 HydrophobicContact CE2-CG2 4.41Å; F146-T227 HydrophobicContact CZ-CG2 3.69Å; F146-V228 HydrophobicContact CE1-CG2 3.9Å; F146-V228 HydrophobicContact CZ-CG2 3.85Å
147Y94.9Very high92.5Very high74 Ų7452.2 Ų52.229%0.2928%0.282SS..Hα-helixtrans-60.7-40.3173.9-178.6-111.7000111.9G143 I144 I145 L151 F156 F196G143-Y147 WeakPolarHBondContact O-CB 3.34Å; G143-Y147 PolarHBondContact O-N 2.94Å; I144-Y147 PolarHBondContact O-N 3.36Å; I145-Y147 VanDerWaalsContact C-N 3.34Å; I145-Y147 PolarHBondContact O-N 3.34Å; Y147-L151 HydrophobicContact CE1-CD2 4.46Å; Y147-L151 WeakPolarHBondContact O-CB 3.46Å; Y147-L151 PolarHBondContact O-N 3.4Å; Y147-F156 AromaticContact CD2-CE2 3.77Å; Y147-F156 HydrophobicContact CD2-CE2 3.77Å; Y147-F156 AromaticContact CD2-CZ 3.56Å; Y147-F156 HydrophobicContact CD2-CZ 3.56Å; Y147-F156 HydrophobicContact CE2-CD2 4.36Å; Y147-F156 HydrophobicContact CE2-CE1 4.37Å; Y147-F156 AromaticContact CE2-CE2 3.48Å; Y147-F156 HydrophobicContact CE2-CE2 3.48Å; Y147-F156 VanDerWaalsContact CE2-CE2 3.48Å; Y147-F156 AromaticContact CE2-CZ 3.51Å; Y147-F156 HydrophobicContact CE2-CZ 3.51Å; Y147-F196 HydrophobicContact CD1-CD2 4.26Å; Y147-F196 HydrophobicContact CD2-CB 4.23Å; Y147-F196 HydrophobicContact CE2-CB 4.35Å; Y147-F196 HydrophobicContact CG-CB 4.4Å; Y147-F196 HydrophobicContact CG-CD2 4.15Å
148S93.7Very high90.7Very high58 Ų5855.4 Ų55.441%0.40630%0.295SS..Hα-helixtrans-70-37177.9-56.60000112.5I144 I145 F146 A152I144-S148 VanDerWaalsContact O-CB 3.3Å; I144-S148 WeakPolarHBondContact O-CB 3.37Å; I144-S148 PolarHBondContact O-N 2.87Å; I144-S148 PolarHBondContact O-OG 2.79Å; I145-S148 CarbonylContact O-C 3.6Å; I145-S148 WeakPolarHBondContact O-CB 3.47Å; I145-S148 PolarHBondContact O-N 3.2Å; I145-S148 VanDerWaalsContact O-N 3.09Å; F146-S148 VanDerWaalsContact C-N 3.3Å; F146-S148 PolarHBondContact O-N 2.81Å; S148-A152 WeakPolarHBondContact O-CB 3.39Å; S148-A152 PolarHBondContact O-N 2.99Å
149V92.5Very high88.7Confident15 Ų1560.3 Ų60.39%0.09133%0.327CS..Hα-helixtrans-65.9-47.4174.51720000110.6I145 F146 L151 A152 H153 C189 L223 A224I145-V149 HydrophobicContact CG2-CG2 4.37Å; I145-V149 WeakPolarHBondContact O-CG2 3.39Å; I145-V149 PolarHBondContact O-N 3.46Å; F146-V149 PolarHBondContact O-N 3.07Å; V149-L151 VanDerWaalsContact C-N 3.35Å; V149-L151 PolarHBondContact O-N 3.49Å; V149-A152 PolarHBondContact O-N 2.86Å; V149-H153 WeakPolarHBondContact O-CB 3.36Å; V149-H153 PolarHBondContact O-N 2.94Å; V149-C189 HydrophobicContact CG1-CB 4.33Å; V149-L223 HydrophobicContact CG2-CD2 3.88Å; V149-L223 HydrophobicContact CG2-CG 4.02Å; V149-A224 HydrophobicContact CG1-CB 4.19Å
150A90.3Very high86.1Confident0 Ų063.7 Ų63.70%035%0.354CS..Hα-helixtrans-60.4-43.3175.500000111.8F146 H153 G154 D155 F156F146-A150 WeakPolarHBondContact O-CB 3.36Å; F146-A150 PolarHBondContact O-N 3.18Å; A150-H153 PolarHBondContact O-N 2.83Å; A150-G154 PolarHBondContact O-N 2.88Å; A150-D155 WeakPolarHBondContact CA-OD2 3.27Å; A150-D155 HydrophobicContact CB-CB 3.98Å; A150-D155 WeakPolarHBondContact O-CB 3.35Å; A150-D155 PolarHBondContact O-N 2.93Å; A150-F156 HydrophobicContact CB-CE2 3.77Å; A150-F156 HydrophobicContact CB-CZ 3.7Å
151L91.3Very high83.3Confident99 Ų9966.1 Ų66.152%0.51837%0.367SS..Hα-helixtrans-65.5-41.6177-174.865.2000112.4Y147 V149 G154 F156Y147-L151 HydrophobicContact CE1-CD2 4.46Å; Y147-L151 WeakPolarHBondContact O-CB 3.46Å; Y147-L151 PolarHBondContact O-N 3.4Å; V149-L151 VanDerWaalsContact C-N 3.35Å; V149-L151 PolarHBondContact O-N 3.49Å; L151-G154 PolarHBondContact O-N 2.75Å; L151-F156 HydrophobicContact CB-CD2 4.19Å; L151-F156 HydrophobicContact CB-CE2 3.99Å; L151-F156 HydrophobicContact CD1-CD2 3.92Å; L151-F156 HydrophobicContact CD1-CE2 4.44Å
152A90.1Very high80.3Confident91 Ų9168.8 Ų68.875%0.75238%0.377SS*.Hα-helixtrans-71.7-28.4178.500000113S148 V149S148-A152 WeakPolarHBondContact O-CB 3.39Å; S148-A152 PolarHBondContact O-N 2.99Å; V149-A152 PolarHBondContact O-N 2.86Å
153H88.3Confident77.9Confident41 Ų4177.6 Ų77.619%0.1942%0.416CS..Hα-helixtrans-75.8-30.4173.1-171.7-116.8000112.3V149 A150 D155 R186 C189V149-H153 WeakPolarHBondContact O-CB 3.36Å; V149-H153 PolarHBondContact O-N 2.94Å; A150-H153 PolarHBondContact O-N 2.83Å; H153-D155 IonicContact CE1-OD1 2.67Å; H153-D155 IonicContact CG-OD1 3.21Å; H153-D155 IonicContact ND1-OD1 3.51Å; H153-D155 PolarHBondContact ND1-OD1 2.74Å; H153-R186 PolarHBondContact CD2-NH2 3.15Å; H153-R186 PolarHBondContact CE1-NE 3.37Å; H153-R186 PolarHBondContact NE2-NE 2.76Å; H153-R186 PolarHBondContact NE2-NH2 2.85Å; H153-R186 PolarHBondContact O-NH1 3.4Å; H153-R186 VanDerWaalsContact O-NH1 3.08Å; H153-R186 PolarHBondContact O-NH2 2.95Å; H153-C189 WeakPolarHBondContact CB-SG 3.48Å
154G87.4Confident75.1Confident12 Ų1280.4 Ų80.412%0.12444%0.436CS..THydrogen-bonded Turntrans93.226.5-172.600000113.2A150 L151 F156 D157A150-G154 PolarHBondContact O-N 2.88Å; L151-G154 PolarHBondContact O-N 2.75Å; G154-F156 PolarHBondContact O-N 3.42Å; G154-F156 VanDerWaalsContact O-N 3.17Å; G154-D157 WeakPolarHBondContact O-CB 3.49Å; G154-D157 PolarHBondContact O-N 3.21Å; G154-D157 VanDerWaalsContact O-N 3.08Å
155D84.8Confident72.5Confident35 Ų3585 Ų8519%0.18746%0.461CS..THydrogen-bonded Turntrans-63-19.3179.2-73.1-9.6000113A150 H153 P188 C189A150-D155 WeakPolarHBondContact CA-OD2 3.27Å; A150-D155 HydrophobicContact CB-CB 3.98Å; A150-D155 WeakPolarHBondContact O-CB 3.35Å; A150-D155 PolarHBondContact O-N 2.93Å; H153-D155 IonicContact CE1-OD1 2.67Å; H153-D155 IonicContact CG-OD1 3.21Å; H153-D155 IonicContact ND1-OD1 3.51Å; H153-D155 PolarHBondContact ND1-OD1 2.74Å; D155-P188 HydrophobicContact CB-CB 4.12Å; D155-P188 VanDerWaalsContact CG-CB 3.49Å; D155-P188 WeakPolarHBondContact OD1-CA 3.3Å; D155-P188 WeakPolarHBondContact OD1-CB 3.27Å; D155-C189 PolarHBondContact OD1-N 3.23Å; D155-C189 WeakPolarHBondContact OD2-CB 3.47Å; D155-C189 PolarHBondContact OD2-N 3.19Å
156F82.4Confident69.8Low58 Ų5887.9 Ų87.925%0.25448%0.481SS..THydrogen-bonded Turntrans-93.2-7.7177.3-53.8-60.1000113.7Y147 A150 L151 G154 E158 V193Y147-F156 AromaticContact CD2-CE2 3.77Å; Y147-F156 HydrophobicContact CD2-CE2 3.77Å; Y147-F156 AromaticContact CD2-CZ 3.56Å; Y147-F156 HydrophobicContact CD2-CZ 3.56Å; Y147-F156 HydrophobicContact CE2-CD2 4.36Å; Y147-F156 HydrophobicContact CE2-CE1 4.37Å; Y147-F156 AromaticContact CE2-CE2 3.48Å; Y147-F156 HydrophobicContact CE2-CE2 3.48Å; Y147-F156 VanDerWaalsContact CE2-CE2 3.48Å; Y147-F156 AromaticContact CE2-CZ 3.51Å; Y147-F156 HydrophobicContact CE2-CZ 3.51Å; A150-F156 HydrophobicContact CB-CE2 3.77Å; A150-F156 HydrophobicContact CB-CZ 3.7Å; L151-F156 HydrophobicContact CB-CD2 4.19Å; L151-F156 HydrophobicContact CB-CE2 3.99Å; L151-F156 HydrophobicContact CD1-CD2 3.92Å; L151-F156 HydrophobicContact CD1-CE2 4.44Å; G154-F156 PolarHBondContact O-N 3.42Å; G154-F156 VanDerWaalsContact O-N 3.17Å; F156-E158 PolarHBondContact O-N 2.82Å; F156-E158 VanDerWaalsContact O-N 3.16Å; F156-V193 HydrophobicContact CE1-CG1 4.1Å; F156-V193 WeakPolarHBondContact CE1-O 3.49Å; F156-V193 HydrophobicContact CZ-CG1 4.12Å
157D78.9Confident67.3Low131 Ų13195 Ų9570%0.70152%0.518SS*.  trans-77.7103.3-179.5-67.8-32.6000109.4G154G154-D157 WeakPolarHBondContact O-CB 3.49Å; G154-D157 PolarHBondContact O-N 3.21Å; G154-D157 VanDerWaalsContact O-N 3.08Å
158E59.9Low64.8Low163 Ų16398.2 Ų98.276%0.76255%0.545SS*.  trans-57.4132175.9-167.7176.2-15400109.8F156 T160F156-E158 PolarHBondContact O-N 2.82Å; F156-E158 VanDerWaalsContact O-N 3.16Å; E158-T160 PolarHBondContact O-N 2.92Å
159P55.1Low62.1Low113 Ų113100.8 Ų100.873%0.73456%0.559SS**  trans-61.5101.1179.924-33.5000109.8N161P159-N161 PolarHBondContact O-N 3.24Å
160T42.7Very low59.4Low126 Ų126103.2 Ų103.277%0.77359%0.587SS**  trans-75.3106.9-166.57.50000110.1E158E158-T160 PolarHBondContact O-N 2.92Å
161N37.8Very low57.1Low127 Ų127110.4 Ų110.468%0.67962%0.622SS**  trans66110.6176.8-70.2-62.6000117.4P159P159-N161 PolarHBondContact O-N 3.24Å
162Q35.5Very low54.5Low144 Ų144116 Ų11667%0.67364%0.638SS**  -137.577.6106.5-168.5144.85.700112.7S164Q162-S164 WeakPolarHBondContact CG-OG 3.27Å; Q162-S164 PolarHBondContact NE2-OG 2.79Å; Q162-S164 PolarHBondContact O-N 2.83Å
163K44.8Very low51.8Low203 Ų203115.6 Ų115.688%0.88364%0.642SS**  trans-72.982.6154.4-81.3-177.3179.2171.20109.1
164S37.7Very low49.7Very low59 Ų59118.3 Ų118.341%0.41367%0.672SS.*  trans-138.6114162.165.50000110.2Q162 V166Q162-S164 WeakPolarHBondContact CG-OG 3.27Å; Q162-S164 PolarHBondContact NE2-OG 2.79Å; Q162-S164 PolarHBondContact O-N 2.83Å; S164-V166 PolarHBondContact O-N 2.82Å
165N43.9Very low47.3Very low175 Ų175123.1 Ų123.194%0.93670%0.704SS**  trans-32.1103.3176.1-55.6-26.5000114
166V38.8Very low44.9Very low121 Ų121127.5 Ų127.573%0.73374%0.737SS**  trans-117.498.5158.2179.90000107.8S164 V168S164-V166 PolarHBondContact O-N 2.82Å; V166-V168 PolarHBondContact O-N 3.1Å; V166-V168 VanDerWaalsContact O-N 3.09Å
167L42.3Very low42.9Very low151 Ų151128 Ų12879%0.79176%0.759SS**  trans-62.999.7170.2-17786.7000108.6T169L167-T169 WeakPolarHBondContact CD2-OG1 3.28Å; L167-T169 PolarHBondContact O-N 2.72Å
168V42.3Very low40.7Very low140 Ų140130.7 Ų130.785%0.84877%0.767SS**  trans-73.483.7174.9-177.40000109.4V166V166-V168 PolarHBondContact O-N 3.1Å; V166-V168 VanDerWaalsContact O-N 3.09Å
169T37.2Very low40.1Very low113 Ų113128 Ų12869%0.69377%0.773SS**  trans-93.5137.7160.7-50.20000107.8L167L167-T169 WeakPolarHBondContact CD2-OG1 3.28Å; L167-T169 PolarHBondContact O-N 2.72Å
170G36.2Very low39.2Very low66 Ų66129 Ų12968%0.6878%0.776SS**  trans103.988.5165.100000115.3
171M41.2Very low39Very low151 Ų151126.1 Ų126.174%0.74477%0.772SS**SBendtrans-75.8153.4144-151.2168.177.600107.8
172Y37.5Very low38.9Very low216 Ų216123.9 Ų123.985%0.84778%0.779SS**  trans77.7122.7-172.7-46.9-70.7000116.7
173G33.6Very low39.2Very low82 Ų82123.6 Ų123.685%0.84578%0.778SS**  trans139.7106.6164.200000113.5
174A44.1Very low39.4Very low99 Ų99120.4 Ų120.482%0.81878%0.776SS**  trans-88.1159.1171.600000111.9
175S37.2Very low40.3Very low112 Ų112126.4 Ų126.478%0.78380%0.797SS**  trans108.1145151.780.40000119.6
176S34.2Very low41.6Very low128 Ų128125.9 Ų125.990%0.89578%0.782SS**  trans67.313517672.90000116.3
177G40Very low43.7Very low69 Ų69123.9 Ų123.971%0.71177%0.766SS**  trans-115.1164-162.300000115.3
178H32.7Very low45.9Very low186 Ų186118.3 Ų118.386%0.86174%0.738SS**  trans-148.1130.6156.7-106.949.4000107.7V180H178-V180 PolarHBondContact O-N 2.97Å
179A47.2Very low48.1Very low108 Ų108111.7 Ų111.789%0.89370%0.698SS**  trans-85.7105.8175.200000109.6
180V36.9Very low50.7Low132 Ų132106.4 Ų106.480%0.867%0.666SS**  trans-144.2124.2169.4-176.20000109.5H178H178-V180 PolarHBondContact O-N 2.97Å
181G37.1Very low53.2Low67 Ų67106.2 Ų106.269%0.69165%0.649SS**  trans79.454.2158.200000117.3Q183G181-Q183 VanDerWaalsContact C-N 3.34Å; G181-Q183 PolarHBondContact O-N 3.06Å
182G37.6Very low55.4Low80 Ų80103.7 Ų103.783%0.82564%0.635SS**  trans-67.491.7160.600000110.5T184G182-T184 PolarHBondContact O-N 2.88Å; G182-T184 VanDerWaalsContact O-N 3.09Å
183Q41.8Very low57.9Low138 Ų13893.9 Ų93.965%0.64560%0.598SS**  trans-73.596165.6-72.9-160.5-1.100108.5G181 Q185G181-Q183 VanDerWaalsContact C-N 3.34Å; G181-Q183 PolarHBondContact O-N 3.06Å; Q183-Q185 PolarHBondContact O-N 2.8Å
184T47.2Very low60.3Low136 Ų13698.7 Ų98.783%0.83460%0.598SS**  trans-62.2103.7166.3-34.10000107.4G182 R186G182-T184 PolarHBondContact O-N 2.88Å; G182-T184 VanDerWaalsContact O-N 3.09Å; T184-R186 PolarHBondContact O-N 3.18Å; T184-R186 VanDerWaalsContact O-N 3.07Å
185Q58.4Low62.5Low184 Ų18494.9 Ų94.986%0.8657%0.569SS**  trans-59.6116.1171-75.9-174.8-16.800107.5Q183 M187Q183-Q185 PolarHBondContact O-N 2.8Å; Q185-M187 PolarHBondContact O-N 3.11Å; Q185-M187 VanDerWaalsContact O-N 3.15Å
186R69.5Low65.2Low164 Ų16493.3 Ų93.362%0.61955%0.548SS*.  trans-68113.9179.1-171.2174.3-174.1-171.8-6.4108.1H153 T184H153-R186 PolarHBondContact CD2-NH2 3.15Å; H153-R186 PolarHBondContact CE1-NE 3.37Å; H153-R186 PolarHBondContact NE2-NE 2.76Å; H153-R186 PolarHBondContact NE2-NH2 2.85Å; H153-R186 PolarHBondContact O-NH1 3.4Å; H153-R186 VanDerWaalsContact O-NH1 3.08Å; H153-R186 PolarHBondContact O-NH2 2.95Å; T184-R186 PolarHBondContact O-N 3.18Å; T184-R186 VanDerWaalsContact O-N 3.07Å
187M82.9Confident68Low80 Ų8092 Ų9239%0.39453%0.534SS..  trans-70127.5177.2-178.1167.1-166.600108.3Q185 T218 E220Q185-M187 PolarHBondContact O-N 3.11Å; Q185-M187 VanDerWaalsContact O-N 3.15Å; M187-T218 HydrophobicContact CE-CG2 3.57Å; M187-T218 HydrophobicContact CG-CG2 4Å; M187-T218 HydrophobicContact SD-CG2 4.46Å; M187-E220 HydrophobicContact CB-CG 3.69Å; M187-E220 HydrophobicContact CG-CG 3.77Å; M187-E220 HydrophobicContact SD-CG 4.16Å
188P88.4Confident70.5Confident34 Ų3489.2 Ų89.222%0.22151%0.506CS..  trans-76.2161.4-177.432.2-36.3000110.7D155 I190 L191 T218D155-P188 HydrophobicContact CB-CB 4.12Å; D155-P188 VanDerWaalsContact CG-CB 3.49Å; D155-P188 WeakPolarHBondContact OD1-CA 3.3Å; D155-P188 WeakPolarHBondContact OD1-CB 3.27Å; P188-I190 PolarHBondContact O-N 2.94Å; P188-L191 HydrophobicContact CG-CD2 3.84Å; P188-T218 WeakPolarHBondContact O-CB 3.32Å; P188-T218 WeakPolarHBondContact O-CG2 3.33Å; P188-T218 PolarHBondContact O-OG1 2.77Å
189C89.4Confident73.5Confident1 Ų180.3 Ų80.31%0.00747%0.465CS..SBendtrans-62.7-34175.7-62.30000112.5V149 H153 D155 T218 C221 A224V149-C189 HydrophobicContact CG1-CB 4.33Å; H153-C189 WeakPolarHBondContact CB-SG 3.48Å; D155-C189 PolarHBondContact OD1-N 3.23Å; D155-C189 WeakPolarHBondContact OD2-CB 3.47Å; D155-C189 PolarHBondContact OD2-N 3.19Å; C189-T218 WeakPolarHBondContact CA-OG1 3.45Å; C189-T218 PolarHBondContact O-N 2.79Å; C189-T218 PolarHBondContact O-OG1 2.62Å; C189-C221 WeakPolarHBondContact CA-SG 3.34Å; C189-C221 HydrophobicContact CB-CB 3.57Å; C189-C221 WeakPolarHBondContact CB-SG 3.36Å; C189-C221 WeakPolarHBondContact SG-CB 3.33Å; C189-C221 CovalentContact SG-SG 2.03Å; C189-C221 PolarHBondContact SG-SG 2.81Å; C189-A224 HydrophobicContact CB-CB 4.26Å
190I91.6Very high75.8Confident2 Ų277.7 Ų77.71%0.0144%0.435CS..BIsolated β-bridgetrans-139.7122.6179.7-47.9168.9000108.9F146 P188 V193 F202 C216F146-I190 HydrophobicContact CB-CD1 3.73Å; F146-I190 HydrophobicContact CD1-CD1 3.64Å; F146-I190 HydrophobicContact CE1-CD1 4.49Å; F146-I190 HydrophobicContact CG-CD1 3.87Å; P188-I190 PolarHBondContact O-N 2.94Å; I190-V193 HydrophobicContact CB-CG2 3.87Å; I190-V193 HydrophobicContact CG2-CG2 3.55Å; I190-F202 HydrophobicContact CD1-CD1 3.81Å; I190-F202 HydrophobicContact CD1-CE1 3.82Å; I190-F202 HydrophobicContact CG1-CE1 4.3Å; I190-F202 HydrophobicContact CG2-CD1 3.97Å; I190-F202 HydrophobicContact CG2-CD2 4.04Å; I190-F202 HydrophobicContact CG2-CE1 4.03Å; I190-F202 HydrophobicContact CG2-CE2 4.1Å; I190-F202 HydrophobicContact CG2-CG 3.96Å; I190-F202 HydrophobicContact CG2-CZ 4.1Å; I190-C216 CarbonylContact C-O 3.6Å; I190-C216 WeakPolarHBondContact CA-O 3.43Å
191L88.9Confident78.6Confident61 Ų6174.4 Ų74.432%0.31941%0.413SS..THydrogen-bonded Turntrans-65.8141.7179.5-65.5171000111.5P188 V193 C216 T218P188-L191 HydrophobicContact CG-CD2 3.84Å; L191-V193 VanDerWaalsContact C-N 3.25Å; L191-V193 PolarHBondContact O-N 2.79Å; L191-C216 HydrophobicContact CD1-CB 4.37Å; L191-C216 PolarHBondContact N-O 2.97Å; L191-T218 HydrophobicContact CD1-CG2 4.48Å; L191-T218 HydrophobicContact CD2-CG2 4.44Å; L191-T218 HydrophobicContact CG-CG2 4.01Å
192H86.8Confident81.4Confident98 Ų9871.7 Ų71.745%0.45438%0.382SS..THydrogen-bonded Turntrans58.723.3174.4-55.8-76.8000116.5W214H192-W214 PolarHBondContact CD2-O 3.29Å; H192-W214 AromaticContact CG-CE2 3.95Å; H192-W214 AromaticContact CG-NE1 3.74Å; H192-W214 AromaticContact ND1-CZ2 3.88Å
193V89.3Confident84.2Confident11 Ų1167.9 Ų67.97%0.06734%0.343CS..  trans-88.5104.9167.1175.90000109.3F156 I190 L191 A199F156-V193 HydrophobicContact CE1-CG1 4.1Å; F156-V193 WeakPolarHBondContact CE1-O 3.49Å; F156-V193 HydrophobicContact CZ-CG1 4.12Å; I190-V193 HydrophobicContact CB-CG2 3.87Å; I190-V193 HydrophobicContact CG2-CG2 3.55Å; L191-V193 VanDerWaalsContact C-N 3.25Å; L191-V193 PolarHBondContact O-N 2.79Å; V193-A199 HydrophobicContact CG1-CB 3.96Å
194Q85.6Confident86.8Confident182 Ų18263.7 Ų63.785%0.8532%0.324SS*.  trans-97.7-3.1-179.1-66.7178.2-22.600114.1
195G90Very high89.1Confident20 Ų2057.3 Ų57.321%0.20628%0.284CS..SBendtrans168.1-173.1-179.600000112V197 G198 A199G195-V197 VanDerWaalsContact C-N 3.35Å; G195-V197 PolarHBondContact O-N 3.15Å; G195-G198 WeakPolarHBondContact O-CA 3.25Å; G195-G198 PolarHBondContact O-N 3.01Å; G195-A199 PolarHBondContact O-N 2.8Å; G195-A199 VanDerWaalsContact O-N 3.13Å
196F93.1Very high90.9Very high78 Ų7849.6 Ų49.634%0.34225%0.25SC..Hα-helixtrans-52.9-45-173.4178-108.4000114.1L140 I144 Y147 G198 A199 L200L140-F196 HydrophobicContact CD1-CZ 3.85Å; I144-F196 HydrophobicContact CG1-CE2 3.75Å; I144-F196 HydrophobicContact CG1-CZ 4.33Å; Y147-F196 HydrophobicContact CD1-CD2 4.26Å; Y147-F196 HydrophobicContact CD2-CB 4.23Å; Y147-F196 HydrophobicContact CE2-CB 4.35Å; Y147-F196 HydrophobicContact CG-CB 4.4Å; Y147-F196 HydrophobicContact CG-CD2 4.15Å; F196-G198 VanDerWaalsContact C-N 3.28Å; F196-G198 PolarHBondContact O-N 2.99Å; F196-A199 PolarHBondContact O-N 2.91Å; F196-L200 HydrophobicContact CE1-CD2 4.41Å; F196-L200 WeakPolarHBondContact O-CB 3.29Å; F196-L200 PolarHBondContact O-N 3.24Å
197V94Very high92.2Very high100 Ų10042.1 Ų42.161%0.60622%0.222SC*.Hα-helixtrans-63.6-34.9178.4-178.30000111.6G195 L200 L201G195-V197 VanDerWaalsContact C-N 3.35Å; G195-V197 PolarHBondContact O-N 3.15Å; V197-L200 PolarHBondContact O-N 2.72Å; V197-L201 HydrophobicContact CG1-CD1 4.26Å; V197-L201 WeakPolarHBondContact O-CB 3.42Å; V197-L201 VanDerWaalsContact O-CG 3.3Å; V197-L201 WeakPolarHBondContact O-CG 3.42Å; V197-L201 PolarHBondContact O-N 3.01Å
198G92.3Very high92.8Very high11 Ų1140.5 Ų40.511%0.11322%0.217CC..Hα-helixtrans-66.2-39.8174.700000112.7G195 F196 F202 R215G195-G198 WeakPolarHBondContact O-CA 3.25Å; G195-G198 PolarHBondContact O-N 3.01Å; F196-G198 VanDerWaalsContact C-N 3.28Å; F196-G198 PolarHBondContact O-N 2.99Å; G198-F202 PolarHBondContact O-N 3.21Å; G198-R215 WeakPolarHBondContact O-CD 3.34Å
199A94.7Very high93.1Very high0 Ų044.8 Ų44.80%024%0.242CC..Hα-helixtrans-70.1-36.8175.600000112.4G143 F146 V193 G195 F196 F202 S203G143-A199 WeakPolarHBondContact O-CB 3.46Å; F146-A199 HydrophobicContact CB-CB 4.24Å; V193-A199 HydrophobicContact CG1-CB 3.96Å; G195-A199 PolarHBondContact O-N 2.8Å; G195-A199 VanDerWaalsContact O-N 3.13Å; F196-A199 PolarHBondContact O-N 2.91Å; A199-F202 PolarHBondContact O-N 2.85Å; A199-S203 WeakPolarHBondContact O-CB 3.09Å; A199-S203 PolarHBondContact O-N 3.02Å
200L96.1Very high93.4Very high52 Ų5248.7 Ų48.727%0.27226%0.262SS..Hα-helixtrans-65.5-41174.1-177.362.6000112W139 F196 V197 S203 M204W139-L200 HydrophobicContact CB-CD1 4.3Å; W139-L200 WeakPolarHBondContact O-CD1 3.11Å; F196-L200 HydrophobicContact CE1-CD2 4.41Å; F196-L200 WeakPolarHBondContact O-CB 3.29Å; F196-L200 PolarHBondContact O-N 3.24Å; V197-L200 PolarHBondContact O-N 2.72Å; L200-S203 WeakPolarHBondContact O-CB 3.11Å; L200-S203 PolarHBondContact O-N 2.86Å; L200-M204 PolarHBondContact O-N 2.97Å
201L95.7Very high93.4Very high64 Ų6451 Ų5134%0.33529%0.286SS..Hα-helixtrans-64.5-45.9173.8-73.1170.4000111.4V197 S203 M204 E205V197-L201 HydrophobicContact CG1-CD1 4.26Å; V197-L201 WeakPolarHBondContact O-CB 3.42Å; V197-L201 VanDerWaalsContact O-CG 3.3Å; V197-L201 WeakPolarHBondContact O-CG 3.42Å; V197-L201 PolarHBondContact O-N 3.01Å; L201-S203 VanDerWaalsContact C-N 3.31Å; L201-S203 PolarHBondContact O-N 2.92Å; L201-M204 HydrophobicContact CD2-CE 4.34Å; L201-M204 PolarHBondContact O-N 2.99Å; L201-E205 WeakPolarHBondContact O-CB 3.41Å; L201-E205 VanDerWaalsContact O-CG 3.25Å; L201-E205 WeakPolarHBondContact O-CG 2.99Å; L201-E205 PolarHBondContact O-N 3.21Å
202F95.8Very high93.5Very high9 Ų955.6 Ų55.64%0.03930%0.301CS..Hα-helixtrans-58.7-41.5174.3179-110.9000112.6F146 I190 G198 A199 E205 T206 R215 V217 V228F146-F202 HydrophobicContact CD1-CD1 4.3Å; F146-F202 HydrophobicContact CD1-CE1 4.08Å; F146-F202 AromaticContact CD2-CD1 3.78Å; F146-F202 HydrophobicContact CD2-CD1 3.78Å; F146-F202 HydrophobicContact CD2-CE1 4.17Å; F146-F202 HydrophobicContact CE1-CD1 4.38Å; F146-F202 AromaticContact CE1-CE1 3.82Å; F146-F202 HydrophobicContact CE1-CE1 3.82Å; F146-F202 AromaticContact CE2-CD1 3.88Å; F146-F202 HydrophobicContact CE2-CD1 3.88Å; F146-F202 AromaticContact CE2-CE1 3.92Å; F146-F202 HydrophobicContact CE2-CE1 3.92Å; F146-F202 HydrophobicContact CG-CD1 4.01Å; F146-F202 HydrophobicContact CG-CE1 4.25Å; F146-F202 HydrophobicContact CZ-CD1 4.18Å; F146-F202 AromaticContact CZ-CE1 3.74Å; F146-F202 HydrophobicContact CZ-CE1 3.74Å; I190-F202 HydrophobicContact CD1-CD1 3.81Å; I190-F202 HydrophobicContact CD1-CE1 3.82Å; I190-F202 HydrophobicContact CG1-CE1 4.3Å; I190-F202 HydrophobicContact CG2-CD1 3.97Å; I190-F202 HydrophobicContact CG2-CD2 4.04Å; I190-F202 HydrophobicContact CG2-CE1 4.03Å; I190-F202 HydrophobicContact CG2-CE2 4.1Å; I190-F202 HydrophobicContact CG2-CG 3.96Å; I190-F202 HydrophobicContact CG2-CZ 4.1Å; G198-F202 PolarHBondContact O-N 3.21Å; A199-F202 PolarHBondContact O-N 2.85Å; F202-E205 PolarHBondContact O-N 3.07Å; F202-T206 WeakPolarHBondContact CE2-OG1 3.2Å; F202-T206 WeakPolarHBondContact CZ-OG1 3.23Å; F202-T206 VanDerWaalsContact O-CB 3.28Å; F202-T206 WeakPolarHBondContact O-CB 3.38Å; F202-T206 PolarHBondContact O-N 2.98Å; F202-T206 PolarHBondContact O-OG1 2.7Å; F202-R215 HydrophobicContact CB-CB 4.19Å; F202-R215 HydrophobicContact CD2-CB 3.59Å; F202-R215 HydrophobicContact CE2-CB 4.45Å; F202-R215 HydrophobicContact CG-CB 4.28Å; F202-V217 HydrophobicContact CZ-CB 4.15Å; F202-V228 HydrophobicContact CE1-CG2 4.25Å; F202-V228 HydrophobicContact CZ-CG2 4.18Å
203S97Very high93.6Very high0 Ų053.5 Ų53.50%031%0.306CS..Hα-helixtrans-59-47174.2174.70000112.1W139 F142 G143 A199 L200 L201 T206 Q207 Q231W139-S203 WeakPolarHBondContact CA-OG 3.47Å; W139-S203 WeakPolarHBondContact O-CB 3.35Å; W139-S203 PolarHBondContact O-OG 2.89Å; F142-S203 WeakPolarHBondContact CB-OG 3.45Å; G143-S203 PolarHBondContact N-OG 2.89Å; A199-S203 WeakPolarHBondContact O-CB 3.09Å; A199-S203 PolarHBondContact O-N 3.02Å; L200-S203 WeakPolarHBondContact O-CB 3.11Å; L200-S203 PolarHBondContact O-N 2.86Å; L201-S203 VanDerWaalsContact C-N 3.31Å; L201-S203 PolarHBondContact O-N 2.92Å; S203-T206 PolarHBondContact O-N 3.35Å; S203-Q207 WeakPolarHBondContact O-CB 3.38Å; S203-Q207 PolarHBondContact O-N 3.13Å; S203-Q231 PolarHBondContact O-NE2 3.17Å; S203-Q231 PolarHBondContact OG-NE2 2.86Å
204M96.4Very high93.6Very high50 Ų5060.8 Ų60.825%0.24633%0.332CS..Hα-helixtrans-62.7-49.6175.5-174.8-167.175.100111.4W139 L200 L201 T206 Q207 T208W139-M204 HydrophobicContact CD2-CB 4.31Å; W139-M204 HydrophobicContact CD2-CG 4.03Å; W139-M204 HydrophobicContact CE3-CG 4.12Å; W139-M204 HydrophobicContact CG-CB 4.41Å; W139-M204 HydrophobicContact CH2-CG 4.32Å; W139-M204 HydrophobicContact CZ2-CG 4.22Å; W139-M204 HydrophobicContact CZ3-CG 4.26Å; W139-M204 HydrophobicContact CZ3-SD 4.43Å; L200-M204 PolarHBondContact O-N 2.97Å; L201-M204 HydrophobicContact CD2-CE 4.34Å; L201-M204 PolarHBondContact O-N 2.99Å; M204-T206 VanDerWaalsContact C-N 3.27Å; M204-T206 PolarHBondContact O-N 3.5Å; M204-Q207 PolarHBondContact O-N 2.71Å; M204-T208 HydrophobicContact CG-CG2 4.3Å; M204-T208 WeakPolarHBondContact O-CB 3.37Å; M204-T208 WeakPolarHBondContact O-CG2 3.26Å; M204-T208 PolarHBondContact O-N 2.78Å; M204-T208 PolarHBondContact O-OG1 2.99Å
205E95.8Very high93.9Very high2 Ų254.7 Ų54.71%0.00930%0.302CS..Hα-helixtrans-56.9-38.7178.9-73.4168.1-131.900112.5L201 F202 T209 I210 G211 Y212 R215L201-E205 WeakPolarHBondContact O-CB 3.41Å; L201-E205 VanDerWaalsContact O-CG 3.25Å; L201-E205 WeakPolarHBondContact O-CG 2.99Å; L201-E205 PolarHBondContact O-N 3.21Å; F202-E205 PolarHBondContact O-N 3.07Å; E205-T209 PolarHBondContact O-N 3.34Å; E205-I210 PolarHBondContact O-N 3.3Å; E205-I210 VanDerWaalsContact O-N 3.13Å; E205-G211 PolarHBondContact O-N 2.73Å; E205-G211 VanDerWaalsContact O-N 3.11Å; E205-Y212 HydrophobicContact CG-CD2 3.64Å; E205-Y212 HydrophobicContact CG-CE2 4.05Å; E205-R215 IonicContact OE1-CZ 2.71Å; E205-R215 IonicContact OE1-NH1 2.83Å; E205-R215 PolarHBondContact OE1-NH1 2.71Å
206T95.6Very high94Very high22 Ų2256.7 Ų56.714%0.13531%0.311CS..Hα-helixtrans-73.9-50.4179.9-58.50000111.4F202 S203 M204 T209 V228 Q231F202-T206 WeakPolarHBondContact CE2-OG1 3.2Å; F202-T206 WeakPolarHBondContact CZ-OG1 3.23Å; F202-T206 VanDerWaalsContact O-CB 3.28Å; F202-T206 WeakPolarHBondContact O-CB 3.38Å; F202-T206 PolarHBondContact O-N 2.98Å; F202-T206 PolarHBondContact O-OG1 2.7Å; S203-T206 PolarHBondContact O-N 3.35Å; M204-T206 VanDerWaalsContact C-N 3.27Å; M204-T206 PolarHBondContact O-N 3.5Å; T206-T209 PolarHBondContact O-N 3.02Å; T206-V228 HydrophobicContact CG2-CG1 3.89Å; T206-V228 HydrophobicContact CG2-CG2 4.32Å; T206-Q231 VanDerWaalsContact CG2-OE1 3.31Å
207Q96.4Very high94.1Very high8 Ų855.1 Ų55.14%0.03731%0.308CS..Hα-helixtrans-72-34.7-175.8-160.2178.7-50.300113.2S138 S203 M204 T209 Q231S138-Q207 PolarHBondContact OG-NE2 2.87Å; S138-Q207 PolarHBondContact OG-OE1 2.75Å; S203-Q207 WeakPolarHBondContact O-CB 3.38Å; S203-Q207 PolarHBondContact O-N 3.13Å; M204-Q207 PolarHBondContact O-N 2.71Å; Q207-T209 PolarHBondContact O-N 3.24Å; Q207-Q231 HydrophobicContact CB-CG 3.94Å; Q207-Q231 HydrophobicContact CG-CG 4.01Å
208T95.4Very high93.9Very high45 Ų4550.8 Ų50.828%0.27628%0.282SS..THydrogen-bonded Turntrans-81.3-3.5174.9600000113W139 M204 I210W139-T208 HydrophobicContact CZ2-CG2 3.64Å; M204-T208 HydrophobicContact CG-CG2 4.3Å; M204-T208 WeakPolarHBondContact O-CB 3.37Å; M204-T208 WeakPolarHBondContact O-CG2 3.26Å; M204-T208 PolarHBondContact O-N 2.78Å; M204-T208 PolarHBondContact O-OG1 2.99Å; T208-I210 PolarHBondContact O-N 3.14Å; T208-I210 VanDerWaalsContact O-N 3.13Å; T208-I210 VanDerWaalsContact OG1-CD1 3.3Å; T208-I210 WeakPolarHBondContact OG1-CD1 3.46Å; T208-I210 VanDerWaalsContact OG1-CG1 3.31Å; T208-I210 WeakPolarHBondContact OG1-CG1 3.09Å
209T95.4Very high93.8Very high124 Ų12458.6 Ų58.676%0.76132%0.315SS*.THydrogen-bonded Turntrans58.217.7-176.568.40000115.1E205 T206 Q207E205-T209 PolarHBondContact O-N 3.34Å; T206-T209 PolarHBondContact O-N 3.02Å; Q207-T209 PolarHBondContact O-N 3.24Å
210I96.3Very high93.5Very high84 Ų8463.5 Ų63.543%0.43134%0.339SS..  trans-66-41.1175.5-65.5171.1000110.9E205 T208 Y212E205-I210 PolarHBondContact O-N 3.3Å; E205-I210 VanDerWaalsContact O-N 3.13Å; T208-I210 PolarHBondContact O-N 3.14Å; T208-I210 VanDerWaalsContact O-N 3.13Å; T208-I210 VanDerWaalsContact OG1-CD1 3.3Å; T208-I210 WeakPolarHBondContact OG1-CD1 3.46Å; T208-I210 VanDerWaalsContact OG1-CG1 3.31Å; T208-I210 WeakPolarHBondContact OG1-CG1 3.09Å; I210-Y212 HydrophobicContact CG2-CD1 3.76Å; I210-Y212 HydrophobicContact CG2-CD2 4.2Å; I210-Y212 HydrophobicContact CG2-CE1 3.4Å; I210-Y212 HydrophobicContact CG2-CE2 3.87Å; I210-Y212 HydrophobicContact CG2-CG 4.14Å; I210-Y212 VanDerWaalsContact CG2-CZ 3.45Å; I210-Y212 PolarHBondContact O-N 3.16Å
211G90.9Very high93.3Very high50 Ų5061.6 Ų61.652%0.51533%0.329SS..  trans44.961.4170.800000115.6E205 G213E205-G211 PolarHBondContact O-N 2.73Å; E205-G211 VanDerWaalsContact O-N 3.11Å; G211-G213 PolarHBondContact O-N 3.14Å
212Y91.8Very high93.1Very high157 Ų15763.3 Ų63.362%0.61634%0.344SS*.  trans-57.8-11.6-177.3-65-59.4000114.9E205 I210 W214E205-Y212 HydrophobicContact CG-CD2 3.64Å; E205-Y212 HydrophobicContact CG-CE2 4.05Å; I210-Y212 HydrophobicContact CG2-CD1 3.76Å; I210-Y212 HydrophobicContact CG2-CD2 4.2Å; I210-Y212 HydrophobicContact CG2-CE1 3.4Å; I210-Y212 HydrophobicContact CG2-CE2 3.87Å; I210-Y212 HydrophobicContact CG2-CG 4.14Å; I210-Y212 VanDerWaalsContact CG2-CZ 3.45Å; I210-Y212 PolarHBondContact O-N 3.16Å; Y212-W214 PolarHBondContact O-N 3.15Å; Y212-W214 VanDerWaalsContact O-N 3.12Å
213G87.4Confident93Very high55 Ų5567.9 Ų67.957%0.56737%0.369SS*.SBendtrans79.4-15176.100000114.9G211 R215G211-G213 PolarHBondContact O-N 3.14Å; G213-R215 VanDerWaalsContact C-N 3.31Å
214W90.3Very high92.8Very high164 Ų16467.9 Ų67.962%0.62137%0.369SS*.SBendtrans-67.2-31.4172.7-174.5-95.7000112.7H192 Y212H192-W214 PolarHBondContact CD2-O 3.29Å; H192-W214 AromaticContact CG-CE2 3.95Å; H192-W214 AromaticContact CG-NE1 3.74Å; H192-W214 AromaticContact ND1-CZ2 3.88Å; Y212-W214 PolarHBondContact O-N 3.15Å; Y212-W214 VanDerWaalsContact O-N 3.12Å
215R92.2Very high92.7Very high54 Ų5468.5 Ų68.520%0.20438%0.375CS..SBendtrans-112.2122.8171.8-61.5177.4-175.285.510.1107.7G198 F202 E205 G213G198-R215 WeakPolarHBondContact O-CD 3.34Å; F202-R215 HydrophobicContact CB-CB 4.19Å; F202-R215 HydrophobicContact CD2-CB 3.59Å; F202-R215 HydrophobicContact CE2-CB 4.45Å; F202-R215 HydrophobicContact CG-CB 4.28Å; E205-R215 IonicContact OE1-CZ 2.71Å; E205-R215 IonicContact OE1-NH1 2.83Å; E205-R215 PolarHBondContact OE1-NH1 2.71Å; G213-R215 VanDerWaalsContact C-N 3.31Å
216C92.1Very high92.7Very high61 Ų6173 Ų7341%0.41240%0.399SS..  trans-141.6139.9-173.8-1670000110.4I190 L191I190-C216 CarbonylContact C-O 3.6Å; I190-C216 WeakPolarHBondContact CA-O 3.43Å; L191-C216 HydrophobicContact CD1-CB 4.37Å; L191-C216 PolarHBondContact N-O 2.97Å
217V94.2Very high92.7Very high45 Ų4572.5 Ų72.527%0.27340%0.395SS..BIsolated β-bridgetrans-76143175.362.80000110.3F202 A224 V225 V228F202-V217 HydrophobicContact CZ-CB 4.15Å; V217-A224 HydrophobicContact CG2-CB 3.91Å; V217-V225 HydrophobicContact CG2-CG2 4.06Å; V217-V228 HydrophobicContact CB-CG2 4.37Å; V217-V228 HydrophobicContact CG1-CG2 4.37Å; V217-V228 HydrophobicContact CG2-CG2 4.42Å
218T90.6Very high92.7Very high9 Ų973.4 Ų73.46%0.05540%0.402CS..  trans-106.9165.1178.468.60000111.6M187 P188 C189 L191 E220M187-T218 HydrophobicContact CE-CG2 3.57Å; M187-T218 HydrophobicContact CG-CG2 4Å; M187-T218 HydrophobicContact SD-CG2 4.46Å; P188-T218 WeakPolarHBondContact O-CB 3.32Å; P188-T218 WeakPolarHBondContact O-CG2 3.33Å; P188-T218 PolarHBondContact O-OG1 2.77Å; C189-T218 WeakPolarHBondContact CA-OG1 3.45Å; C189-T218 PolarHBondContact O-N 2.79Å; C189-T218 PolarHBondContact O-OG1 2.62Å; L191-T218 HydrophobicContact CD1-CG2 4.48Å; L191-T218 HydrophobicContact CD2-CG2 4.44Å; L191-T218 HydrophobicContact CG-CG2 4.01Å; T218-E220 VanDerWaalsContact C-N 3.29Å
219E89.7Confident92.7Very high175 Ų17574.9 Ų74.982%0.81841%0.41SS*.THydrogen-bonded Turntrans-79-9.4178.160.1-169.6151.500114.1C221E219-C221 VanDerWaalsContact C-N 3.29Å; E219-C221 PolarHBondContact O-N 3.46Å
220E88.8Confident92.8Very high104 Ų10472.8 Ų72.849%0.48639%0.394SS..THydrogen-bonded Turntrans-61-33.6179.7-65-68.616100113.5M187 T218 P222M187-E220 HydrophobicContact CB-CG 3.69Å; M187-E220 HydrophobicContact CG-CG 3.77Å; M187-E220 HydrophobicContact SD-CG 4.16Å; T218-E220 VanDerWaalsContact C-N 3.29Å; E220-P222 WeakPolarHBondContact O-CD 3.33Å
221C91.8Very high92.8Very high11 Ų1168.8 Ų68.87%0.07437%0.373CS..  trans-120.590.8-169.4-57.90000111.4C189 E219 L223 A224 V225C189-C221 WeakPolarHBondContact CA-SG 3.34Å; C189-C221 HydrophobicContact CB-CB 3.57Å; C189-C221 WeakPolarHBondContact CB-SG 3.36Å; C189-C221 WeakPolarHBondContact SG-CB 3.33Å; C189-C221 CovalentContact SG-SG 2.03Å; C189-C221 PolarHBondContact SG-SG 2.81Å; E219-C221 VanDerWaalsContact C-N 3.29Å; E219-C221 PolarHBondContact O-N 3.46Å; C221-L223 PolarHBondContact O-N 2.99Å; C221-A224 HydrophobicContact CB-CB 3.91Å; C221-A224 WeakPolarHBondContact O-CB 3.34Å; C221-A224 PolarHBondContact O-N 2.78Å; C221-V225 PolarHBondContact O-N 2.85Å
222P92.1Very high93.1Very high100 Ų10068.8 Ų68.865%0.64937%0.365SS*.Hα-helixtrans-54.7-29.9178.7-28.334.8000114.1E220 V225 L226E220-P222 WeakPolarHBondContact O-CD 3.33Å; P222-V225 PolarHBondContact O-N 2.9Å; P222-L226 WeakPolarHBondContact O-CB 3.43Å; P222-L226 PolarHBondContact O-N 2.84Å
223L92.6Very high93.4Very high106 Ų10666.1 Ų66.156%0.55536%0.36SS*.Hα-helixtrans-67.7-34.8175.3-175.359.6000112.7V149 C221 T227V149-L223 HydrophobicContact CG2-CD2 3.88Å; V149-L223 HydrophobicContact CG2-CG 4.02Å; C221-L223 PolarHBondContact O-N 2.99Å; L223-T227 WeakPolarHBondContact O-CB 3.34Å; L223-T227 PolarHBondContact O-N 2.6Å; L223-T227 PolarHBondContact O-OG1 3.19Å
224A92.6Very high93.8Very high0 Ų065.8 Ų65.80%035%0.348CS..Hα-helixtrans-68.3-46.3174.700000110.5V149 C189 V217 C221 L226 T227 V228V149-A224 HydrophobicContact CG1-CB 4.19Å; C189-A224 HydrophobicContact CB-CB 4.26Å; V217-A224 HydrophobicContact CG2-CB 3.91Å; C221-A224 HydrophobicContact CB-CB 3.91Å; C221-A224 WeakPolarHBondContact O-CB 3.34Å; C221-A224 PolarHBondContact O-N 2.78Å; A224-L226 PolarHBondContact O-N 2.78Å; A224-T227 WeakPolarHBondContact O-CB 3.18Å; A224-T227 PolarHBondContact O-N 3.06Å; A224-V228 WeakPolarHBondContact O-CG2 3.35Å; A224-V228 PolarHBondContact O-N 2.96Å
225V94.8Very high94.1Very high63 Ų6358 Ų5838%0.38232%0.318SS..Hα-helixtrans-58.7-47.4175.1-179.90000111.3V217 C221 P222 T227 V228 V229V217-V225 HydrophobicContact CG2-CG2 4.06Å; C221-V225 PolarHBondContact O-N 2.85Å; P222-V225 PolarHBondContact O-N 2.9Å; V225-T227 VanDerWaalsContact C-N 3.32Å; V225-T227 PolarHBondContact O-N 3.21Å; V225-V228 PolarHBondContact O-N 2.78Å; V225-V229 WeakPolarHBondContact O-CG2 3.33Å; V225-V229 PolarHBondContact O-N 2.76Å
226L95.4Very high94.3Very high96 Ų9659.2 Ų59.250%0.50333%0.334SS..Hα-helixtrans-62.3-38.4176.2-179.261.5000112.2P222 A224 V229 I230P222-L226 WeakPolarHBondContact O-CB 3.43Å; P222-L226 PolarHBondContact O-N 2.84Å; A224-L226 PolarHBondContact O-N 2.78Å; L226-V229 PolarHBondContact O-N 2.69Å; L226-I230 HydrophobicContact CD1-CD1 4.11Å; L226-I230 HydrophobicContact CD1-CG1 4.33Å; L226-I230 HydrophobicContact CG-CD1 3.93Å; L226-I230 WeakPolarHBondContact O-CG1 3.45Å; L226-I230 PolarHBondContact O-N 2.85Å
227T95.1Very high94.5Very high11 Ų1161.4 Ų61.47%0.06734%0.341CS..Hα-helixtrans-63.7-42176.1-58.20000111.2F142 I145 F146 L223 A224 V225 I230 Q231F142-T227 HydrophobicContact CD1-CG2 3.92Å; F142-T227 HydrophobicContact CE1-CG2 4.4Å; I145-T227 HydrophobicContact CB-CG2 4.35Å; I145-T227 HydrophobicContact CG2-CG2 3.63Å; F146-T227 HydrophobicContact CD1-CG2 3.99Å; F146-T227 HydrophobicContact CE1-CG2 3.45Å; F146-T227 VanDerWaalsContact CE1-CG2 3.45Å; F146-T227 HydrophobicContact CE2-CG2 4.41Å; F146-T227 HydrophobicContact CZ-CG2 3.69Å; L223-T227 WeakPolarHBondContact O-CB 3.34Å; L223-T227 PolarHBondContact O-N 2.6Å; L223-T227 PolarHBondContact O-OG1 3.19Å; A224-T227 WeakPolarHBondContact O-CB 3.18Å; A224-T227 PolarHBondContact O-N 3.06Å; V225-T227 VanDerWaalsContact C-N 3.32Å; V225-T227 PolarHBondContact O-N 3.21Å; T227-I230 PolarHBondContact O-N 3.46Å; T227-Q231 VanDerWaalsContact O-CB 3.27Å; T227-Q231 WeakPolarHBondContact O-CB 3.25Å; T227-Q231 PolarHBondContact O-N 2.81Å
228V96.4Very high94.5Very high28 Ų2860.5 Ų60.517%0.1733%0.334CS..Hα-helixtrans-59.4-47.6173.3170.30000110.9F146 F202 T206 V217 A224 V225 I230 Q231 S232F146-V228 HydrophobicContact CE1-CG2 3.9Å; F146-V228 HydrophobicContact CZ-CG2 3.85Å; F202-V228 HydrophobicContact CE1-CG2 4.25Å; F202-V228 HydrophobicContact CZ-CG2 4.18Å; T206-V228 HydrophobicContact CG2-CG1 3.89Å; T206-V228 HydrophobicContact CG2-CG2 4.32Å; V217-V228 HydrophobicContact CB-CG2 4.37Å; V217-V228 HydrophobicContact CG1-CG2 4.37Å; V217-V228 HydrophobicContact CG2-CG2 4.42Å; A224-V228 WeakPolarHBondContact O-CG2 3.35Å; A224-V228 PolarHBondContact O-N 2.96Å; V225-V228 PolarHBondContact O-N 2.78Å; V228-I230 PolarHBondContact O-N 2.81Å; V228-Q231 PolarHBondContact O-N 2.92Å; V228-S232 PolarHBondContact O-N 2.72Å; V228-S232 PolarHBondContact O-OG 3.49Å
229V96.8Very high94.8Very high75 Ų7562.6 Ų62.646%0.45535%0.345SS..Hα-helixtrans-59.6-46.5178.4172.40000111.8V225 L226 Q231 S232 I233V225-V229 WeakPolarHBondContact O-CG2 3.33Å; V225-V229 PolarHBondContact O-N 2.76Å; L226-V229 PolarHBondContact O-N 2.69Å; V229-Q231 VanDerWaalsContact C-N 3.34Å; V229-Q231 PolarHBondContact O-N 2.82Å; V229-S232 PolarHBondContact O-N 3.21Å; V229-I233 HydrophobicContact CG1-CD1 4.13Å; V229-I233 WeakPolarHBondContact O-CG1 3.34Å; V229-I233 PolarHBondContact O-N 3.37Å; V229-I233 VanDerWaalsContact O-N 3.17Å
230I96.9Very high95Very high81 Ų8158.1 Ų58.142%0.41533%0.333SS..Hα-helixtrans-63.8-41.3177.2-67.6168.9000110.6F142 L226 T227 V228 I233 V234F142-I230 HydrophobicContact CE1-CG2 4.22Å; F142-I230 HydrophobicContact CZ-CG2 4.27Å; L226-I230 HydrophobicContact CD1-CD1 4.11Å; L226-I230 HydrophobicContact CD1-CG1 4.33Å; L226-I230 HydrophobicContact CG-CD1 3.93Å; L226-I230 WeakPolarHBondContact O-CG1 3.45Å; L226-I230 PolarHBondContact O-N 2.85Å; T227-I230 PolarHBondContact O-N 3.46Å; V228-I230 PolarHBondContact O-N 2.81Å; I230-I233 PolarHBondContact O-N 2.93Å; I230-V234 HydrophobicContact CG2-CG2 4.38Å; I230-V234 WeakPolarHBondContact O-CG2 3.32Å; I230-V234 PolarHBondContact O-N 3.47Å
231Q97.3Very high95.2Very high0 Ų057.5 Ų57.50%033%0.328CS..Hα-helixtrans-62.9-43.1177.8-176.6172.337.200112.4F142 S203 T206 Q207 T227 V228 V229 I233 V234 G235F142-Q231 HydrophobicContact CB-CG 4.4Å; F142-Q231 HydrophobicContact CD1-CB 3.8Å; F142-Q231 HydrophobicContact CD1-CG 4.11Å; F142-Q231 HydrophobicContact CD2-CB 4.18Å; F142-Q231 HydrophobicContact CD2-CG 3.68Å; F142-Q231 HydrophobicContact CE1-CB 3.72Å; F142-Q231 HydrophobicContact CE1-CG 4.31Å; F142-Q231 HydrophobicContact CE2-CB 4.11Å; F142-Q231 HydrophobicContact CE2-CG 3.91Å; F142-Q231 HydrophobicContact CG-CB 4.04Å; F142-Q231 HydrophobicContact CG-CG 3.81Å; F142-Q231 HydrophobicContact CZ-CB 3.89Å; F142-Q231 HydrophobicContact CZ-CG 4.22Å; S203-Q231 PolarHBondContact O-NE2 3.17Å; S203-Q231 PolarHBondContact OG-NE2 2.86Å; T206-Q231 VanDerWaalsContact CG2-OE1 3.31Å; Q207-Q231 HydrophobicContact CB-CG 3.94Å; Q207-Q231 HydrophobicContact CG-CG 4.01Å; T227-Q231 VanDerWaalsContact O-CB 3.27Å; T227-Q231 WeakPolarHBondContact O-CB 3.25Å; T227-Q231 PolarHBondContact O-N 2.81Å; V228-Q231 PolarHBondContact O-N 2.92Å; V229-Q231 VanDerWaalsContact C-N 3.34Å; V229-Q231 PolarHBondContact O-N 2.82Å; Q231-I233 PolarHBondContact O-N 2.9Å; Q231-V234 PolarHBondContact O-N 3.07Å; Q231-G235 PolarHBondContact O-N 3.02Å
232S96.5Very high95.4Very high50 Ų5059.2 Ų59.235%0.3534%0.336SS..Hα-helixtrans-60.4-44.7175.8-60.60000111.5V228 V229 G235 C236V228-S232 PolarHBondContact O-N 2.72Å; V228-S232 PolarHBondContact O-OG 3.49Å; V229-S232 PolarHBondContact O-N 3.21Å; S232-G235 PolarHBondContact O-N 2.96Å; S232-C236 PolarHBondContact O-N 3.43Å; S232-C236 PolarHBondContact O-SG 2.8Å
233I97.1Very high95.5Very high100 Ų10059.4 Ų59.451%0.51333%0.331SS..Hα-helixtrans-61.6-47177.1-65.8165.7000110.9V229 I230 Q231 C236 I237V229-I233 HydrophobicContact CG1-CD1 4.13Å; V229-I233 WeakPolarHBondContact O-CG1 3.34Å; V229-I233 PolarHBondContact O-N 3.37Å; V229-I233 VanDerWaalsContact O-N 3.17Å; I230-I233 PolarHBondContact O-N 2.93Å; Q231-I233 PolarHBondContact O-N 2.9Å; I233-C236 PolarHBondContact O-N 2.92Å; I233-I237 HydrophobicContact CG2-CD1 3.97Å; I233-I237 WeakPolarHBondContact O-CG1 3.34Å; I233-I237 PolarHBondContact O-N 2.94Å; I233-I237 VanDerWaalsContact O-N 3.13Å
234V96.4Very high95.6Very high49 Ų4956 Ų5630%0.29732%0.321SS..Hα-helixtrans-64.9-39.6178.6171.30000111.7F142 I230 Q231 I237 I238F142-V234 HydrophobicContact CE2-CB 4.21Å; F142-V234 HydrophobicContact CE2-CG1 4.06Å; F142-V234 HydrophobicContact CZ-CB 4.19Å; F142-V234 HydrophobicContact CZ-CG1 4.44Å; F142-V234 HydrophobicContact CZ-CG2 4.24Å; I230-V234 HydrophobicContact CG2-CG2 4.38Å; I230-V234 WeakPolarHBondContact O-CG2 3.32Å; I230-V234 PolarHBondContact O-N 3.47Å; Q231-V234 PolarHBondContact O-N 3.07Å; V234-I237 PolarHBondContact O-N 3.15Å; V234-I238 HydrophobicContact CG1-CD1 3.85Å; V234-I238 HydrophobicContact CG1-CG1 4.44Å; V234-I238 WeakPolarHBondContact O-CG1 3.42Å; V234-I238 PolarHBondContact O-N 3.36Å
235G96.5Very high95.6Very high1 Ų156 Ų561%0.0132%0.321CS..Hα-helixtrans-56.1-55.117400000111.7Q231 S232 I237 I238 D239Q231-G235 PolarHBondContact O-N 3.02Å; S232-G235 PolarHBondContact O-N 2.96Å; G235-I237 VanDerWaalsContact C-N 3.26Å; G235-I237 PolarHBondContact O-N 3.45Å; G235-I238 PolarHBondContact O-N 2.98Å; G235-I238 VanDerWaalsContact O-N 3.08Å; G235-D239 PolarHBondContact O-N 3.45Å
236C96.8Very high95.5Very high78 Ų7855 Ų5553%0.52731%0.313SS..Hα-helixtrans-58.4-34.3178.2-63.90000113.4S232 I233 S240S232-C236 PolarHBondContact O-N 3.43Å; S232-C236 PolarHBondContact O-SG 2.8Å; I233-C236 PolarHBondContact O-N 2.92Å; C236-S240 VanDerWaalsContact O-CB 3.25Å; C236-S240 WeakPolarHBondContact O-CB 3.22Å; C236-S240 PolarHBondContact O-N 3.08Å; C236-S240 PolarHBondContact O-OG 2.83Å
237I96.3Very high95.3Very high108 Ų10856.6 Ų56.655%0.55432%0.32SS*.Hα-helixtrans-67.5-45.5175.5-68.9165.7000111.1I233 V234 G235 S240 F241I233-I237 HydrophobicContact CG2-CD1 3.97Å; I233-I237 WeakPolarHBondContact O-CG1 3.34Å; I233-I237 PolarHBondContact O-N 2.94Å; I233-I237 VanDerWaalsContact O-N 3.13Å; V234-I237 PolarHBondContact O-N 3.15Å; G235-I237 VanDerWaalsContact C-N 3.26Å; G235-I237 PolarHBondContact O-N 3.45Å; I237-S240 PolarHBondContact O-N 2.86Å; I237-F241 WeakPolarHBondContact O-CB 3.36Å; I237-F241 PolarHBondContact O-N 2.76Å
238I95Very high95.1Very high25 Ų2557.5 Ų57.513%0.12833%0.328CS..Hα-helixtrans-63.4-45.5178.2-65.4167.9000110.3F135 V234 G235 F241 M242F135-I238 HydrophobicContact CD1-CG2 4.09Å; F135-I238 HydrophobicContact CE1-CB 4.42Å; F135-I238 HydrophobicContact CE1-CG2 3.59Å; F135-I238 HydrophobicContact CE2-CG2 4.23Å; F135-I238 HydrophobicContact CZ-CG2 3.66Å; V234-I238 HydrophobicContact CG1-CD1 3.85Å; V234-I238 HydrophobicContact CG1-CG1 4.44Å; V234-I238 WeakPolarHBondContact O-CG1 3.42Å; V234-I238 PolarHBondContact O-N 3.36Å; G235-I238 PolarHBondContact O-N 2.98Å; G235-I238 VanDerWaalsContact O-N 3.08Å; I238-F241 PolarHBondContact O-N 2.93Å; I238-M242 WeakPolarHBondContact O-CB 3.42Å; I238-M242 PolarHBondContact O-N 3.11Å
239D95.1Very high94.9Very high53 Ų5357 Ų5728%0.28332%0.324SS..Hα-helixtrans-62.4-44.4178.1-69.5-30000111.9F135 G235 F241 M242 I243F135-D239 VanDerWaalsContact CE1-OD1 3.31Å; F135-D239 WeakPolarHBondContact CE1-OD1 3.34Å; F135-D239 WeakPolarHBondContact CZ-OD1 3.46Å; G235-D239 PolarHBondContact O-N 3.45Å; D239-F241 VanDerWaalsContact C-N 3.35Å; D239-F241 PolarHBondContact O-N 3.2Å; D239-M242 PolarHBondContact O-N 2.87Å; D239-I243 WeakPolarHBondContact O-CG1 3.17Å; D239-I243 PolarHBondContact O-N 2.83Å
240S95.3Very high94.4Very high81 Ų8160.1 Ų60.157%0.56634%0.335SS*.Hα-helixtrans-60.9-43.4177-61.40000111.7C236 I237 G244C236-S240 VanDerWaalsContact O-CB 3.25Å; C236-S240 WeakPolarHBondContact O-CB 3.22Å; C236-S240 PolarHBondContact O-N 3.08Å; C236-S240 PolarHBondContact O-OG 2.83Å; I237-S240 PolarHBondContact O-N 2.86Å; S240-G244 PolarHBondContact O-N 3.42Å
241F93.3Very high93.9Very high91 Ų9158.2 Ų58.240%0.39933%0.331SS..Hα-helixtrans-68.1-36.4177.2-170.9-108.5000112.1F116 F131 I237 I238 D239 T245F116-F241 HydrophobicContact CD2-CE2 4.32Å; F131-F241 AromaticContact CE1-CD1 3.85Å; F131-F241 HydrophobicContact CE1-CD1 3.85Å; F131-F241 HydrophobicContact CE1-CE1 4.32Å; F131-F241 HydrophobicContact CZ-CD1 4.18Å; F131-F241 HydrophobicContact CZ-CE1 4.36Å; I237-F241 WeakPolarHBondContact O-CB 3.36Å; I237-F241 PolarHBondContact O-N 2.76Å; I238-F241 PolarHBondContact O-N 2.93Å; D239-F241 VanDerWaalsContact C-N 3.35Å; D239-F241 PolarHBondContact O-N 3.2Å; F241-T245 VanDerWaalsContact O-CB 3.23Å; F241-T245 WeakPolarHBondContact O-CB 3.31Å; F241-T245 PolarHBondContact O-N 3.1Å; F241-T245 PolarHBondContact O-OG1 3.12Å
242M94.3Very high93.2Very high47 Ų4761.5 Ų61.523%0.23234%0.344CS..Hα-helixtrans-62.1-55.8173.1-179.6-178.361.300111.6F131 F135 I238 D239 G244 T245 I246F131-M242 HydrophobicContact CB-SD 4.47Å; F131-M242 HydrophobicContact CD1-CB 3.8Å; F131-M242 HydrophobicContact CD1-CG 3.99Å; F131-M242 HydrophobicContact CD2-CG 4.06Å; F131-M242 VanDerWaalsContact CE1-CA 3.46Å; F131-M242 HydrophobicContact CE1-CB 3.73Å; F131-M242 HydrophobicContact CE1-CG 4.21Å; F131-M242 HydrophobicContact CE2-CG 4.24Å; F131-M242 HydrophobicContact CG-CB 4.29Å; F131-M242 HydrophobicContact CG-CG 3.95Å; F131-M242 HydrophobicContact CG-SD 4.46Å; F131-M242 HydrophobicContact CZ-CB 4.15Å; F131-M242 HydrophobicContact CZ-CG 4.36Å; F135-M242 HydrophobicContact CE2-CE 4.19Å; F135-M242 HydrophobicContact CE2-SD 3.68Å; F135-M242 HydrophobicContact CZ-CE 4.04Å; F135-M242 HydrophobicContact CZ-SD 4.1Å; I238-M242 WeakPolarHBondContact O-CB 3.42Å; I238-M242 PolarHBondContact O-N 3.11Å; D239-M242 PolarHBondContact O-N 2.87Å; M242-G244 PolarHBondContact O-N 2.99Å; M242-T245 PolarHBondContact O-N 3.43Å; M242-I246 HydrophobicContact CG-CD1 3.57Å; M242-I246 HydrophobicContact CG-CG1 4.34Å; M242-I246 WeakPolarHBondContact O-CB 3.42Å; M242-I246 VanDerWaalsContact O-CG1 3.27Å; M242-I246 WeakPolarHBondContact O-CG1 3.25Å; M242-I246 PolarHBondContact O-N 3.43Å; M242-I246 HydrophobicContact SD-CD1 4.26Å
243I94.9Very high92Very high105 Ų10560.3 Ų60.354%0.53833%0.334SS..Hα-helixtrans-60.9-46.5-177.9-66.5167.6000110.2D239 T245 I246 M247D239-I243 WeakPolarHBondContact O-CG1 3.17Å; D239-I243 PolarHBondContact O-N 2.83Å; I243-T245 PolarHBondContact O-N 3.36Å; I243-I246 PolarHBondContact O-N 3.23Å; I243-M247 VanDerWaalsContact O-CB 3.29Å; I243-M247 WeakPolarHBondContact O-CB 3.47Å; I243-M247 PolarHBondContact O-N 2.92Å
244G94.3Very high90.7Very high34 Ų3461.1 Ų61.135%0.35133%0.334SS..Hα-helixtrans-59.9-45.1177.800000113.1S240 M242 A248S240-G244 PolarHBondContact O-N 3.42Å; M242-G244 PolarHBondContact O-N 2.99Å; G244-A248 VanDerWaalsContact O-CB 3.25Å; G244-A248 WeakPolarHBondContact O-CB 3.41Å; G244-A248 PolarHBondContact O-N 3.1Å
245T92.9Very high89.2Confident1 Ų166.8 Ų66.81%0.00636%0.355CS..Hα-helixtrans-69.7-39.8179.5-55.30000112.1C119 V120 L127 F131 F241 M242 I243 K249C119-T245 HydrophobicContact CB-CG2 3.96Å; V120-T245 HydrophobicContact CG2-CG2 3.91Å; L127-T245 HydrophobicContact CD1-CG2 3.91Å; L127-T245 HydrophobicContact CD2-CG2 4.08Å; F131-T245 HydrophobicContact CE2-CG2 4.32Å; F131-T245 HydrophobicContact CZ-CG2 4.19Å; F241-T245 VanDerWaalsContact O-CB 3.23Å; F241-T245 WeakPolarHBondContact O-CB 3.31Å; F241-T245 PolarHBondContact O-N 3.1Å; F241-T245 PolarHBondContact O-OG1 3.12Å; M242-T245 PolarHBondContact O-N 3.43Å; I243-T245 PolarHBondContact O-N 3.36Å; T245-K249 VanDerWaalsContact O-CB 3.27Å; T245-K249 WeakPolarHBondContact O-CB 3.49Å; T245-K249 PolarHBondContact O-N 3.22Å
246I93.4Very high88Confident40 Ų4067.5 Ų67.521%0.20536%0.357CS..Hα-helixtrans-65.7-47.7176.4-70.2175.3000110.3W124 F131 M242 I243 K249 M250W124-I246 HydrophobicContact CH2-CG2 4.32Å; W124-I246 HydrophobicContact CZ3-CG2 4.4Å; F131-I246 HydrophobicContact CE2-CG1 4.46Å; M242-I246 HydrophobicContact CG-CD1 3.57Å; M242-I246 HydrophobicContact CG-CG1 4.34Å; M242-I246 WeakPolarHBondContact O-CB 3.42Å; M242-I246 VanDerWaalsContact O-CG1 3.27Å; M242-I246 WeakPolarHBondContact O-CG1 3.25Å; M242-I246 PolarHBondContact O-N 3.43Å; M242-I246 HydrophobicContact SD-CD1 4.26Å; I243-I246 PolarHBondContact O-N 3.23Å; I246-K249 PolarHBondContact O-N 3.09Å; I246-M250 HydrophobicContact CG2-CG 4.36Å; I246-M250 HydrophobicContact CG2-SD 3.82Å; I246-M250 WeakPolarHBondContact O-CG 3.49Å; I246-M250 PolarHBondContact O-N 2.95Å
247M91.8Very high86.5Confident131 Ų13167 Ų6765%0.64535%0.35SS*.Hα-helixtrans-58.6-51.5176.9-174.4-145.5-84.600111I243 K249 M250 A251I243-M247 VanDerWaalsContact O-CB 3.29Å; I243-M247 WeakPolarHBondContact O-CB 3.47Å; I243-M247 PolarHBondContact O-N 2.92Å; M247-K249 PolarHBondContact O-N 3.37Å; M247-M250 PolarHBondContact O-N 3.27Å; M247-M250 VanDerWaalsContact O-N 3.11Å; M247-A251 WeakPolarHBondContact O-CB 2.99Å; M247-A251 PolarHBondContact O-N 3.43Å
248A90.3Very high85.5Confident29 Ų2969.4 Ų69.424%0.2436%0.358CS..Hα-helixtrans-57.3-36.7178.200000112.3F116 V120 G244 R252F116-A248 HydrophobicContact CZ-CB 3.88Å; V120-A248 HydrophobicContact CG1-CB 4.49Å; V120-A248 HydrophobicContact CG2-CB 4.22Å; G244-A248 VanDerWaalsContact O-CB 3.25Å; G244-A248 WeakPolarHBondContact O-CB 3.41Å; G244-A248 PolarHBondContact O-N 3.1Å; A248-R252 VanDerWaalsContact O-CG 3.25Å; A248-R252 WeakPolarHBondContact O-CG 3.37Å; A248-R252 PolarHBondContact O-N 3.36Å
249K91.1Very high85Confident19 Ų1969.2 Ų69.28%0.08336%0.358CS..Hα-helixtrans-73.9-36176.7-165.2-179.6-160.278.20113.7C119 V120 I122 W124 L127 T245 I246 M247C119-K249 PolarHBondContact O-NZ 3.4Å; V120-K249 HydrophobicContact CG1-CB 4.01Å; V120-K249 HydrophobicContact CG1-CG 4.35Å; V120-K249 PolarHBondContact O-NZ 2.86Å; I122-K249 WeakPolarHBondContact O-CE 3.26Å; I122-K249 PolarHBondContact O-NZ 3.07Å; W124-K249 HydrophobicContact CD2-CD 3.83Å; W124-K249 HydrophobicContact CE3-CD 3.91Å; W124-K249 HydrophobicContact CH2-CB 4.06Å; W124-K249 HydrophobicContact CH2-CD 3.69Å; W124-K249 HydrophobicContact CH2-CG 4Å; W124-K249 HydrophobicContact CZ2-CB 4.13Å; W124-K249 HydrophobicContact CZ2-CD 3.6Å; W124-K249 HydrophobicContact CZ2-CG 3.67Å; W124-K249 HydrophobicContact CZ3-CD 3.84Å; L127-K249 HydrophobicContact CD2-CD 3.42Å; L127-K249 VanDerWaalsContact CD2-CD 3.42Å; T245-K249 VanDerWaalsContact O-CB 3.27Å; T245-K249 WeakPolarHBondContact O-CB 3.49Å; T245-K249 PolarHBondContact O-N 3.22Å; I246-K249 PolarHBondContact O-N 3.09Å; M247-K249 PolarHBondContact O-N 3.37Å
250M87.8Confident84.8Confident139 Ų13967.4 Ų67.469%0.68535%0.348SS*.Hα-helixtrans-68.8-39174.8-73.417861.700111.7W124 I246 M247 R252W124-M250 HydrophobicContact CH2-CG 3.79Å; W124-M250 HydrophobicContact CZ2-CG 4.07Å; I246-M250 HydrophobicContact CG2-CG 4.36Å; I246-M250 HydrophobicContact CG2-SD 3.82Å; I246-M250 WeakPolarHBondContact O-CG 3.49Å; I246-M250 PolarHBondContact O-N 2.95Å; M247-M250 PolarHBondContact O-N 3.27Å; M247-M250 VanDerWaalsContact O-N 3.11Å; M250-R252 VanDerWaalsContact C-N 3.28Å; M250-R252 PolarHBondContact O-N 3.46Å
251A85.7Confident84.6Confident41 Ų4166 Ų6634%0.33933%0.334SS..Hα-helixtrans-66.2-26.4177.600000113.3M247 M374M247-A251 WeakPolarHBondContact O-CB 2.99Å; M247-A251 PolarHBondContact O-N 3.43Å; A251-M374 HydrophobicContact CB-SD 4.27Å; A251-M374 VanDerWaalsContact O-SD 3.42Å
252R81.7Confident84.8Confident70 Ų7063 Ų6326%0.26432%0.32SS..SBendtrans-59.4124.3-177.5-71.6-140.1-176.2172.119.1111.8V120 D121 A248 M250 K254V120-R252 HydrophobicContact CG1-CG 4.11Å; D121-R252 IonicContact OD1-CZ 3.77Å; D121-R252 IonicContact OD1-NH1 2.96Å; D121-R252 PolarHBondContact OD1-NH1 2.84Å; D121-R252 IonicContact OD2-CZ 3.64Å; D121-R252 IonicContact OD2-NH1 3.7Å; D121-R252 PolarHBondContact OD2-NH1 2.8Å; D121-R252 IonicContact OD2-NH2 3.7Å; D121-R252 PolarHBondContact OD2-NH2 2.96Å; A248-R252 VanDerWaalsContact O-CG 3.25Å; A248-R252 WeakPolarHBondContact O-CG 3.37Å; A248-R252 PolarHBondContact O-N 3.36Å; M250-R252 VanDerWaalsContact C-N 3.28Å; M250-R252 PolarHBondContact O-N 3.46Å; R252-K254 PolarHBondContact O-N 2.83Å
253P72.2Confident84.9Confident24 Ų2460.8 Ų60.816%0.15631%0.31CS..G310 helixtrans-73.721.4-172.329.9-36.9000115.5K255 R256 V369 M374P253-K255 PolarHBondContact O-N 3.16Å; P253-R256 HydrophobicContact CB-CB 4.28Å; P253-R256 WeakPolarHBondContact O-CB 3.02Å; P253-R256 PolarHBondContact O-N 2.71Å; P253-V369 HydrophobicContact CB-CG2 3.65Å; P253-V369 HydrophobicContact CG-CG2 4.4Å; P253-M374 HydrophobicContact CG-CB 4.21Å
254K69.3Low85Confident117 Ų11762 Ų6251%0.50931%0.311SS..G310 helixtrans-55.5-26.6-175.4-71.5-174.4177.7178.50114.2D121 R252D121-K254 IonicContact OD1-NZ 3.33Å; D121-K254 PolarHBondContact OD1-NZ 3.16Å; R252-K254 PolarHBondContact O-N 2.83Å
255K66.3Low85.2Confident168 Ų16861.8 Ų61.873%0.7330%0.302SS*.G310 helixtrans-78.9-19.8174.3-70.2-171.8178.5-178.50113.7P253 N257 Q258P253-K255 PolarHBondContact O-N 3.16Å; K255-N257 PolarHBondContact O-N 3.04Å; K255-Q258 PolarHBondContact O-N 2.66Å
256R69.8Low85.4Confident17 Ų1761.8 Ų61.86%0.06430%0.302CS..G310 helixtrans-64.8-26.5176.6-165.575.9-176.8-170.41.6111.5P253 Q258 T259 S287 H288 I289 V369 F378P253-R256 HydrophobicContact CB-CB 4.28Å; P253-R256 WeakPolarHBondContact O-CB 3.02Å; P253-R256 PolarHBondContact O-N 2.71Å; R256-Q258 PolarHBondContact O-N 2.95Å; R256-T259 PolarHBondContact O-N 3.38Å; R256-T259 PolarHBondContact O-OG1 3.45Å; R256-S287 PolarHBondContact NH1-OG 3.19Å; R256-S287 PolarHBondContact NH2-O 3.22Å; R256-H288 PolarHBondContact NH2-O 3.06Å; R256-I289 HydrophobicContact CG-CD1 4.48Å; R256-V369 HydrophobicContact CB-CG2 4.34Å; R256-V369 HydrophobicContact CG-CG2 3.97Å; R256-F378 HydrophobicContact CB-CE1 4.31Å; R256-F378 HydrophobicContact CB-CZ 4.3Å; R256-F378 HydrophobicContact CG-CE1 4.34Å; R256-F378 HydrophobicContact CG-CZ 3.97Å
257N66.4Low85.6Confident68 Ų6859.9 Ų59.936%0.36429%0.292SS..G310 helixtrans-61.8-13.8176.2-63.662.6000114.2K255 Q377 F378K255-N257 PolarHBondContact O-N 3.04Å; N257-Q377 PolarHBondContact ND2-O 3.4Å; N257-F378 VanDerWaalsContact CA-CE1 3.47Å; N257-F378 HydrophobicContact CB-CD1 3.94Å; N257-F378 HydrophobicContact CB-CE1 4.01Å; N257-F378 VanDerWaalsContact CG-CE1 3.47Å; N257-F378 WeakPolarHBondContact ND2-CD1 3.44Å; N257-F378 WeakPolarHBondContact OD1-CE1 3.31Å
258Q75.1Confident85.9Confident157 Ų15753.7 Ų53.773%0.73426%0.262SS*.G310 helixtrans-93.2-8.4174.8-62.5175.5-22.300112.9K255 R256K255-Q258 PolarHBondContact O-N 2.66Å; R256-Q258 PolarHBondContact O-N 2.95Å
259T84.3Confident86.2Confident22 Ų2252.3 Ų52.314%0.13525%0.25CS..SBendtrans-1121.9-174.953.90000114.2R256 L284 R285R256-T259 PolarHBondContact O-N 3.38Å; R256-T259 PolarHBondContact O-OG1 3.45Å; T259-L284 WeakPolarHBondContact O-CB 3.06Å; T259-L284 PolarHBondContact O-N 3.39Å; T259-R285 HydrophobicContact CG2-CG 4.04Å
260L90.4Very high86.4Confident14 Ų1454.4 Ų54.47%0.07326%0.262CS..EExtended strand (participates in β ladder)trans-111.8140.4166.1-75158.7000108.6G282 N283 I289 L330 L365 F378L260-G282 WeakPolarHBondContact CA-O 3.34Å; L260-N283 HydrophobicContact CD2-CB 3.85Å; L260-I289 HydrophobicContact CD1-CD1 3.87Å; L260-I289 HydrophobicContact CD1-CG1 4.05Å; L260-I289 HydrophobicContact CD2-CG1 4.1Å; L260-L330 HydrophobicContact CD2-CD2 3.79Å; L260-L365 HydrophobicContact CD1-CD2 4.16Å; L260-L365 HydrophobicContact CD2-CD2 4.02Å; L260-F378 HydrophobicContact CB-CG 4.46Å; L260-F378 HydrophobicContact CD1-CD1 4Å; L260-F378 HydrophobicContact CD1-CD2 3.35Å; L260-F378 HydrophobicContact CD1-CE1 3.8Å; L260-F378 HydrophobicContact CD1-CE2 3.11Å; L260-F378 HydrophobicContact CD1-CG 3.78Å; L260-F378 HydrophobicContact CD1-CZ 3.34Å
261M92.1Very high86.6Confident53 Ų5352 Ų5226%0.26125%0.245SC..EExtended strand (participates in β ladder)trans-124.5138.7-174.5-67.4-173.170.500111.2V281 G282 L284 F411 H412M261-V281 CarbonylContact O-C 3.58Å; M261-V281 WeakPolarHBondContact O-CA 3.43Å; M261-G282 PolarHBondContact N-O 2.81Å; M261-G282 PolarHBondContact O-N 3Å; M261-L284 HydrophobicContact CG-CD1 3.87Å; M261-L284 HydrophobicContact CG-CG 4.06Å; M261-L284 HydrophobicContact SD-CD1 3.65Å; M261-L284 HydrophobicContact SD-CD2 3.74Å; M261-L284 HydrophobicContact SD-CG 3.85Å; M261-F411 HydrophobicContact CB-CE1 3.86Å; M261-F411 HydrophobicContact CB-CZ 3.9Å; M261-F411 HydrophobicContact CE-CD1 4.34Å; M261-F411 HydrophobicContact CE-CE1 4.47Å; M261-H412 VanDerWaalsContact CE-NE2 3.28Å; M261-H412 WeakPolarHBondContact CE-NE2 3.41Å
262F96.4Very high86.9Confident26 Ų2657.4 Ų57.411%0.11427%0.269CS..EExtended strand (participates in β ladder)trans-100.8154.3162.4-69.4-87.1000109.5R280 V281 V363 L365 F378 H412F262-R280 CarbonylContact C-O 3.24Å; F262-R280 WeakPolarHBondContact CA-O 3.44Å; F262-V281 HydrophobicContact CD1-CG1 3.69Å; F262-V281 HydrophobicContact CE1-CG1 3.63Å; F262-V363 HydrophobicContact CD1-CG2 3.57Å; F262-V363 HydrophobicContact CE1-CB 4.11Å; F262-V363 HydrophobicContact CE1-CG2 3.54Å; F262-V363 HydrophobicContact CG-CG2 4.26Å; F262-V363 HydrophobicContact CZ-CG2 4.21Å; F262-L365 HydrophobicContact CE1-CB 4.42Å; F262-L365 HydrophobicContact CZ-CB 3.79Å; F262-F378 HydrophobicContact CE2-CB 4.14Å; F262-H412 PolarHBondContact O-CE1 2.8Å
263S97.6Very high87.3Confident1 Ų157.5 Ų57.51%0.00729%0.292CS..  trans-58.3151.616847.40000111.1N265 R280 Y382S263-N265 VanDerWaalsContact C-N 3.27Å; S263-N265 WeakPolarHBondContact CB-O 3.42Å; S263-N265 PolarHBondContact OG-O 2.91Å; S263-R280 PolarHBondContact N-O 3.32Å; S263-R280 PolarHBondContact OG-N 3.06Å; S263-Y382 WeakPolarHBondContact O-CE1 3.32Å; S263-Y382 PolarHBondContact O-OH 3.05Å; S263-Y382 VanDerWaalsContact O-OH 3.07Å; S263-Y382 PolarHBondContact OG-OH 3.49Å
264K96.1Very high88.3Confident130 Ų13061.4 Ų61.457%0.56531%0.306SS*.SBendtrans-66.4-37175.3-74.2172.6-177.1176.10110.8K93 H412K93-K264 WeakPolarHBondContact CE-O 3.04Å; K93-K264 PolarHBondContact NZ-O 2.86Å; K264-H412 HydrophobicContact CD-CB 4.2Å; K264-H412 HydrophobicContact CG-CB 4.43Å; K264-H412 PolarHBondContact N-ND1 3.24Å
265N97.6Very high89.5Confident30 Ų3056.2 Ų56.216%0.1628%0.284CS..SBendtrans-118.3155.5-178.1-63.687.9000110.3S263 E386 F388S263-N265 VanDerWaalsContact C-N 3.27Å; S263-N265 WeakPolarHBondContact CB-O 3.42Å; S263-N265 PolarHBondContact OG-O 2.91Å; N265-E386 WeakPolarHBondContact CA-O 3.43Å; N265-E386 WeakPolarHBondContact CB-O 3.47Å; N265-E386 PolarHBondContact ND2-O 3Å; N265-F388 HydrophobicContact CB-CD2 4.08Å; N265-F388 HydrophobicContact CB-CE2 4Å; N265-F388 HydrophobicContact CB-CZ 4.42Å; N265-F388 WeakPolarHBondContact ND2-CE1 3.47Å; N265-F388 WeakPolarHBondContact ND2-CZ 3.05Å
266A98.1Very high91Very high1 Ų148.5 Ų48.51%0.00825%0.251CS..EExtended strand (participates in β ladder)trans-99.4164.315900000108L277 M278 W279 Y382 E386 I387 F388A266-L277 HydrophobicContact CB-CD1 4Å; A266-M278 CarbonylContact C-O 3.58Å; A266-M278 VanDerWaalsContact CA-O 3.28Å; A266-M278 WeakPolarHBondContact CA-O 3.42Å; A266-M278 WeakPolarHBondContact CB-O 3.23Å; A266-W279 HydrophobicContact CB-CB 4.33Å; A266-Y382 HydrophobicContact CB-CD1 3.92Å; A266-Y382 HydrophobicContact CB-CD2 4.04Å; A266-Y382 HydrophobicContact CB-CE1 4.25Å; A266-Y382 HydrophobicContact CB-CE2 4.33Å; A266-Y382 HydrophobicContact CB-CG 3.83Å; A266-E386 PolarHBondContact N-O 3.41Å; A266-I387 HydrophobicContact CB-CG1 4.29Å; A266-I387 HydrophobicContact CB-CG2 4.43Å; A266-I387 CarbonylContact O-C 3.56Å; A266-I387 WeakPolarHBondContact O-CA 3.36Å; A266-F388 PolarHBondContact O-N 3.34Å
267V97.9Very high92.4Very high0 Ų047.7 Ų47.70%025%0.248CC..EExtended strand (participates in β ladder)trans-134.4147179.2-55.60000110.4L277 M278 F388 H391 F393 T414V267-L277 CarbonylContact O-C 3.6Å; V267-M278 HydrophobicContact CG2-CB 3.84Å; V267-M278 HydrophobicContact CG2-CE 4.31Å; V267-M278 PolarHBondContact N-O 2.78Å; V267-M278 PolarHBondContact O-N 3.32Å; V267-F388 CarbonylContact C-O 3.56Å; V267-F388 VanDerWaalsContact CA-O 3.27Å; V267-F388 WeakPolarHBondContact CA-O 3.48Å; V267-F388 HydrophobicContact CG1-CB 4.34Å; V267-H391 HydrophobicContact CB-CB 4.01Å; V267-H391 WeakPolarHBondContact CB-O 3.36Å; V267-H391 HydrophobicContact CG1-CB 3.77Å; V267-H391 VanDerWaalsContact CG2-O 3.3Å; V267-H391 WeakPolarHBondContact CG2-O 3.34Å; V267-F393 HydrophobicContact CG1-CE1 4.4Å; V267-F393 HydrophobicContact CG1-CE2 4.38Å; V267-F393 HydrophobicContact CG1-CZ 4.14Å; V267-F393 HydrophobicContact CG2-CD2 4.04Å; V267-F393 HydrophobicContact CG2-CE2 3.72Å; V267-F393 HydrophobicContact CG2-CZ 4.27Å; V267-T414 HydrophobicContact CG1-CG2 3.61Å
268I97.6Very high93.9Very high1 Ų144.7 Ų44.71%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-114123.3170.5-67.8172.1000107.8L275 C276 L277 I340 L354 I387 F388 W389 G390I268-L275 HydrophobicContact CG2-CD1 3.8Å; I268-L275 HydrophobicContact CG2-CD2 4.14Å; I268-L275 HydrophobicContact CG2-CG 3.85Å; I268-C276 WeakPolarHBondContact CA-O 3.45Å; I268-L277 HydrophobicContact CD1-CD1 4.29Å; I268-L277 HydrophobicContact CG1-CB 4.3Å; I268-L277 HydrophobicContact CG1-CD1 3.74Å; I268-I340 HydrophobicContact CD1-CD1 4.41Å; I268-I340 HydrophobicContact CG2-CD1 4.34Å; I268-L354 HydrophobicContact CD1-CD2 4.31Å; I268-I387 HydrophobicContact CD1-CG2 3.74Å; I268-I387 HydrophobicContact CG1-CG2 3.73Å; I268-F388 PolarHBondContact N-O 3.13Å; I268-W389 HydrophobicContact CB-CD2 4.41Å; I268-W389 HydrophobicContact CB-CE3 4.22Å; I268-W389 HydrophobicContact CD1-CE3 3.93Å; I268-W389 HydrophobicContact CD1-CZ3 4.01Å; I268-W389 HydrophobicContact CG2-CD2 4.12Å; I268-W389 HydrophobicContact CG2-CE3 4Å; I268-W389 HydrophobicContact CG2-CH2 4.27Å; I268-W389 HydrophobicContact CG2-CZ2 4.36Å; I268-W389 HydrophobicContact CG2-CZ3 4.08Å; I268-W389 CarbonylContact O-C 3.53Å; I268-G390 WeakPolarHBondContact O-CA 3.5Å; I268-G390 PolarHBondContact O-N 3.44Å
269A96.5Very high95Very high0 Ų037.3 Ų37.30%020%0.197CC..EExtended strand (participates in β ladder)trans-154.9166.5173.700000111.5C276 M278 H391 R392 T420A269-C276 PolarHBondContact N-O 3.33Å; A269-C276 PolarHBondContact O-N 2.92Å; A269-M278 HydrophobicContact CB-CE 3.92Å; A269-H391 WeakPolarHBondContact CB-O 3.46Å; A269-R392 HydrophobicContact CB-CG 4.03Å; A269-T420 HydrophobicContact CB-CG2 4.44Å
270L94.8Very high95.6Very high63 Ų6336.8 Ų36.833%0.3319%0.193SC..EExtended strand (participates in β ladder)trans-69.9135.6172.6-69.8179.3000111.3K274 L275 P421L270-K274 CarbonylContact C-O 3.56Å; L270-K274 VanDerWaalsContact CA-O 3.29Å; L270-K274 WeakPolarHBondContact CA-O 3.14Å; L270-L275 HydrophobicContact CD2-CB 4.25Å; L270-L275 HydrophobicContact CD2-CD1 4.01Å; L270-L275 HydrophobicContact CG-CD1 4.47Å; L270-P421 VanDerWaalsContact CD1-CD 3.42Å; L270-P421 HydrophobicContact CD1-CG 3.98Å
271R93.6Very high95.9Very high88 Ų8836.1 Ų36.133%0.33219%0.189SC..EExtended strand (participates in β ladder)trans-134.9124.1166.6-176.1-179.9-64-158.25.2107.8G273 K274 M278R271-G273 PolarHBondContact O-N 2.92Å; R271-G273 VanDerWaalsContact O-N 3.08Å; R271-K274 PolarHBondContact N-O 3.41Å; R271-K274 PolarHBondContact O-N 2.88Å; R271-K274 VanDerWaalsContact O-O 3.13Å; R271-M278 PolarHBondContact NH2-SD 2.9Å
272D91.5Very high96Very high156 Ų15633.6 Ų33.683%0.83418%0.177SC*.THydrogen-bonded Turntrans50.538.2176.3-50.4-41.9000114.5K274D272-K274 VanDerWaalsContact C-N 3.32Å; D272-K274 PolarHBondContact O-N 3.21Å
273G88.9Confident95.8Very high72 Ų7232.7 Ų32.774%0.74217%0.173SC*.THydrogen-bonded Turntrans86.9-12179.700000115.3R271R271-G273 PolarHBondContact O-N 2.92Å; R271-G273 VanDerWaalsContact O-N 3.08Å
274K93.4Very high95.4Very high106 Ų10636.7 Ų36.746%0.46119%0.194SC..EExtended strand (participates in β ladder)trans-101.2149.3-178.6-67.5162.6157.7-151.20111L270 R271 D272 E339L270-K274 CarbonylContact C-O 3.56Å; L270-K274 VanDerWaalsContact CA-O 3.29Å; L270-K274 WeakPolarHBondContact CA-O 3.14Å; R271-K274 PolarHBondContact N-O 3.41Å; R271-K274 PolarHBondContact O-N 2.88Å; R271-K274 VanDerWaalsContact O-O 3.13Å; D272-K274 VanDerWaalsContact C-N 3.32Å; D272-K274 PolarHBondContact O-N 3.21Å; K274-E339 HydrophobicContact CB-CG 4.43Å; K274-E339 VanDerWaalsContact CD-CD 3.48Å; K274-E339 HydrophobicContact CD-CG 4.36Å; K274-E339 VanDerWaalsContact CD-OE1 3.28Å; K274-E339 WeakPolarHBondContact CD-OE1 3.46Å; K274-E339 WeakPolarHBondContact CD-OE2 3.33Å; K274-E339 WeakPolarHBondContact CE-OE1 3.22Å; K274-E339 IonicContact NZ-OE1 2.66Å; K274-E339 PolarHBondContact NZ-OE1 2.89Å; K274-E339 IonicContact NZ-OE2 2.72Å; K274-E339 PolarHBondContact NZ-OE2 3.31Å
275L96Very high95Very high8 Ų836.7 Ų36.74%0.04219%0.191CC..EExtended strand (participates in β ladder)trans-87.4124174.7-167.371.3000109I268 L270 I340 W389 T420 A425I268-L275 HydrophobicContact CG2-CD1 3.8Å; I268-L275 HydrophobicContact CG2-CD2 4.14Å; I268-L275 HydrophobicContact CG2-CG 3.85Å; L270-L275 HydrophobicContact CD2-CB 4.25Å; L270-L275 HydrophobicContact CD2-CD1 4.01Å; L270-L275 HydrophobicContact CG-CD1 4.47Å; L275-I340 HydrophobicContact CD2-CD1 4.23Å; L275-I340 HydrophobicContact CG-CD1 4.26Å; L275-I340 WeakPolarHBondContact O-CB 3.32Å; L275-I340 PolarHBondContact O-N 3.37Å; L275-W389 HydrophobicContact CD1-CZ2 4.44Å; L275-W389 HydrophobicContact CD2-CH2 3.78Å; L275-W389 HydrophobicContact CD2-CZ2 3.93Å; L275-T420 HydrophobicContact CD1-CG2 4.39Å; L275-A425 HydrophobicContact CB-CB 4.43Å; L275-A425 HydrophobicContact CD2-CB 4.21Å
276C97.1Very high94.4Very high6 Ų646.8 Ų46.84%0.04123%0.226CC..EExtended strand (participates in β ladder)trans-127.3137-175-54.40000112I268 A269 M278 V337 H338I268-C276 WeakPolarHBondContact CA-O 3.45Å; A269-C276 PolarHBondContact N-O 3.33Å; A269-C276 PolarHBondContact O-N 2.92Å; C276-M278 HydrophobicContact CB-CE 4.28Å; C276-M278 HydrophobicContact CB-CG 4.3Å; C276-M278 WeakPolarHBondContact O-CE 3.1Å; C276-V337 HydrophobicContact CB-CG1 3.61Å; C276-H338 CarbonylContact C-O 3.56Å; C276-H338 VanDerWaalsContact CA-O 3.3Å; C276-H338 WeakPolarHBondContact CA-O 3.41Å
277L98Very high94Very high0 Ų048.7 Ų48.70%024%0.24CC..EExtended strand (participates in β ladder)trans-81.3135.2162174.570.4000108.8A266 V267 I268 W279 L317 H338 I340 L346 I361 I387A266-L277 HydrophobicContact CB-CD1 4Å; V267-L277 CarbonylContact O-C 3.6Å; I268-L277 HydrophobicContact CD1-CD1 4.29Å; I268-L277 HydrophobicContact CG1-CB 4.3Å; I268-L277 HydrophobicContact CG1-CD1 3.74Å; L277-W279 HydrophobicContact CD2-CE3 4.48Å; L277-W279 HydrophobicContact CD2-CZ3 4.04Å; L277-W279 HydrophobicContact CG-CE3 4.33Å; L277-W279 HydrophobicContact CG-CZ3 4.2Å; L277-L317 HydrophobicContact CD2-CD1 4.42Å; L277-H338 HydrophobicContact CB-CB 4.28Å; L277-H338 PolarHBondContact N-O 2.99Å; L277-H338 PolarHBondContact O-N 3.11Å; L277-I340 HydrophobicContact CB-CD1 4.39Å; L277-L346 HydrophobicContact CD2-CD1 3.9Å; L277-I361 HydrophobicContact CD2-CD1 3.4Å; L277-I361 VanDerWaalsContact CD2-CD1 3.4Å; L277-I387 HydrophobicContact CD1-CD1 4.4Å; L277-I387 HydrophobicContact CD1-CG2 3.78Å
278M98.1Very high93.6Very high5 Ų552 Ų523%0.02526%0.255CS..EExtended strand (participates in β ladder)trans-138.6138.6-174-69.5171.8-86.300112.2A266 V267 A269 R271 C276 V335 I336 V337 F393A266-M278 CarbonylContact C-O 3.58Å; A266-M278 VanDerWaalsContact CA-O 3.28Å; A266-M278 WeakPolarHBondContact CA-O 3.42Å; A266-M278 WeakPolarHBondContact CB-O 3.23Å; V267-M278 HydrophobicContact CG2-CB 3.84Å; V267-M278 HydrophobicContact CG2-CE 4.31Å; V267-M278 PolarHBondContact N-O 2.78Å; V267-M278 PolarHBondContact O-N 3.32Å; A269-M278 HydrophobicContact CB-CE 3.92Å; R271-M278 PolarHBondContact NH2-SD 2.9Å; C276-M278 HydrophobicContact CB-CE 4.28Å; C276-M278 HydrophobicContact CB-CG 4.3Å; C276-M278 WeakPolarHBondContact O-CE 3.1Å; M278-V335 HydrophobicContact CB-CG1 3.84Å; M278-V335 HydrophobicContact CG-CG1 4.12Å; M278-V335 HydrophobicContact SD-CG1 4.31Å; M278-I336 VanDerWaalsContact CA-O 3.27Å; M278-I336 WeakPolarHBondContact CA-O 3.43Å; M278-V337 HydrophobicContact CG-CG1 4.32Å; M278-V337 HydrophobicContact CG-CG2 4.3Å; M278-F393 HydrophobicContact CB-CE2 4.35Å
279W98.3Very high93.3Very high1 Ų152.4 Ų52.40%0.00426%0.257CS..EExtended strand (participates in β ladder)trans-137.8159.5166.961.793.4000110.3A266 L277 A296 V319 V335 I336 H338 V363 Y382A266-W279 HydrophobicContact CB-CB 4.33Å; L277-W279 HydrophobicContact CD2-CE3 4.48Å; L277-W279 HydrophobicContact CD2-CZ3 4.04Å; L277-W279 HydrophobicContact CG-CE3 4.33Å; L277-W279 HydrophobicContact CG-CZ3 4.2Å; W279-A296 HydrophobicContact CH2-CB 3.49Å; W279-A296 VanDerWaalsContact CH2-CB 3.49Å; W279-A296 HydrophobicContact CZ2-CB 3.78Å; W279-A296 HydrophobicContact CZ3-CB 4.49Å; W279-V319 HydrophobicContact CH2-CG1 3.45Å; W279-V319 VanDerWaalsContact CH2-CG1 3.45Å; W279-V319 HydrophobicContact CZ2-CG1 3.86Å; W279-V335 CarbonylContact O-C 3.49Å; W279-V335 WeakPolarHBondContact O-CA 3.19Å; W279-I336 HydrophobicContact CD2-CB 4.14Å; W279-I336 HydrophobicContact CD2-CG2 4.49Å; W279-I336 HydrophobicContact CG-CB 4.44Å; W279-I336 HydrophobicContact CH2-CG2 4.02Å; W279-I336 HydrophobicContact CZ2-CB 3.99Å; W279-I336 HydrophobicContact CZ2-CG2 3.47Å; W279-I336 VanDerWaalsContact CZ2-CG2 3.47Å; W279-I336 PolarHBondContact N-O 3.45Å; W279-I336 PolarHBondContact O-N 3.41Å; W279-H338 HydrophobicContact CZ3-CB 4.31Å; W279-V363 HydrophobicContact CD2-CG1 3.89Å; W279-V363 HydrophobicContact CE3-CG1 4.36Å; W279-V363 HydrophobicContact CG-CG1 4.35Å; W279-V363 HydrophobicContact CH2-CG1 4.25Å; W279-V363 HydrophobicContact CZ2-CB 4.43Å; W279-V363 HydrophobicContact CZ2-CG1 3.75Å; W279-Y382 HydrophobicContact CB-CE2 3.85Å; W279-Y382 HydrophobicContact CG-CE2 4.05Å
280R97.6Very high93.1Very high12 Ų1255.4 Ų55.45%0.04528%0.275CS..EExtended strand (participates in β ladder)trans-104.2139.4-179.7-173.8177-83.1165.7-14.1111F262 S263 P333 L334 V335 F393 E394 F411F262-R280 CarbonylContact C-O 3.24Å; F262-R280 WeakPolarHBondContact CA-O 3.44Å; S263-R280 PolarHBondContact N-O 3.32Å; S263-R280 PolarHBondContact OG-N 3.06Å; R280-P333 HydrophobicContact CG-CB 4.12Å; R280-L334 CarbonylContact C-O 3.51Å; R280-L334 WeakPolarHBondContact CA-O 3.28Å; R280-L334 WeakPolarHBondContact CG-O 3.4Å; R280-V335 HydrophobicContact CB-CG2 4.48Å; R280-V335 HydrophobicContact CG-CG2 4.48Å; R280-F393 HydrophobicContact CB-CE1 4.49Å; R280-F393 HydrophobicContact CB-CE2 4.42Å; R280-F393 HydrophobicContact CB-CZ 4.38Å; R280-E394 PolarHBondContact NH1-O 3.5Å; R280-E394 VanDerWaalsContact NH1-O 3.15Å; R280-E394 PolarHBondContact NH2-O 2.62Å; R280-F411 HydrophobicContact CB-CZ 4.36Å; R280-F411 WeakPolarHBondContact CD-O 3.16Å; R280-F411 HydrophobicContact CG-CD2 4.21Å; R280-F411 HydrophobicContact CG-CE2 3.61Å; R280-F411 HydrophobicContact CG-CZ 3.82Å; R280-F411 PolarHBondContact NH1-O 2.9Å
281V96.4Very high93Very high0 Ų059.3 Ų59.30%029%0.292CS..EExtended strand (participates in β ladder)trans-116.9151.1168.2-64.50000109.6M261 F262 L328 L330 P333 L334 I336M261-V281 CarbonylContact O-C 3.58Å; M261-V281 WeakPolarHBondContact O-CA 3.43Å; F262-V281 HydrophobicContact CD1-CG1 3.69Å; F262-V281 HydrophobicContact CE1-CG1 3.63Å; V281-L328 HydrophobicContact CG2-CD1 4.11Å; V281-L330 HydrophobicContact CG2-CD1 3.84Å; V281-P333 CarbonylContact O-C 3.5Å; V281-P333 WeakPolarHBondContact O-CA 3.46Å; V281-L334 HydrophobicContact CG2-CB 4.12Å; V281-L334 PolarHBondContact N-O 2.95Å; V281-L334 PolarHBondContact O-N 3.17Å; V281-I336 HydrophobicContact CG1-CG1 4.07Å; V281-I336 HydrophobicContact CG2-CD1 3.74Å; V281-I336 HydrophobicContact CG2-CG1 3.96Å
282G94.4Very high93.1Very high0 Ų055.2 Ų55.20%028%0.277CS..EExtended strand (participates in β ladder)trans-159.1151.1178.400000113.7L260 M261L260-G282 WeakPolarHBondContact CA-O 3.34Å; M261-G282 PolarHBondContact N-O 2.81Å; M261-G282 PolarHBondContact O-N 3Å
283N92.8Very high93.3Very high7 Ų750.6 Ų50.64%0.03725%0.25CC..EExtended strand (participates in β ladder)trans-109.2115.6-179.5-176.814.6000110.4L260 R285 S287 L330 Y408L260-N283 HydrophobicContact CD2-CB 3.85Å; N283-R285 PolarHBondContact ND2-O 3.38Å; N283-R285 PolarHBondContact O-N 2.94Å; N283-R285 WeakPolarHBondContact OD1-CB 3.46Å; N283-R285 PolarHBondContact OD1-N 3.07Å; N283-R285 VanDerWaalsContact OD1-N 3.08Å; N283-R285 PolarHBondContact OD1-O 3.31Å; N283-S287 PolarHBondContact ND2-O 3.29Å; N283-L330 HydrophobicContact CB-CD2 4.33Å; N283-L330 HydrophobicContact CB-CG 4.27Å; N283-Y408 PolarHBondContact O-OH 3.41Å
284L89.2Confident93.7Very high84 Ų8447.3 Ų47.344%0.4422%0.215SC..SBendtrans-77.9-8.5177.4-65.6175.6000113T259 M261 Y408T259-L284 WeakPolarHBondContact O-CB 3.06Å; T259-L284 PolarHBondContact O-N 3.39Å; M261-L284 HydrophobicContact CG-CD1 3.87Å; M261-L284 HydrophobicContact CG-CG 4.06Å; M261-L284 HydrophobicContact SD-CD1 3.65Å; M261-L284 HydrophobicContact SD-CD2 3.74Å; M261-L284 HydrophobicContact SD-CG 3.85Å; L284-Y408 HydrophobicContact CD2-CD1 3.87Å; L284-Y408 HydrophobicContact CD2-CD2 4.4Å; L284-Y408 HydrophobicContact CD2-CE1 3.82Å; L284-Y408 HydrophobicContact CD2-CE2 4.33Å; L284-Y408 HydrophobicContact CD2-CG 4.18Å
285R87.6Confident93.9Very high131 Ų13147.4 Ų47.449%0.49421%0.213SC..SBendtrans-100.4149.9178.7-66.6-104.8-172177.5-6.4110.2T259 N283T259-R285 HydrophobicContact CG2-CG 4.04Å; N283-R285 PolarHBondContact ND2-O 3.38Å; N283-R285 PolarHBondContact O-N 2.94Å; N283-R285 WeakPolarHBondContact OD1-CB 3.46Å; N283-R285 PolarHBondContact OD1-N 3.07Å; N283-R285 VanDerWaalsContact OD1-N 3.08Å; N283-R285 PolarHBondContact OD1-O 3.31Å
286R84.1Confident93.9Very high242 Ų24247 Ų4791%0.91321%0.211SC*.SBendtrans-70.6-32.6167.5-63.5-173.371-174.2-1.3112.5
287S89.2Confident93.9Very high41 Ų4148.7 Ų48.729%0.28722%0.218SC..SBendtrans-65.5140.9173.735.20000111.7R256 N283 E370R256-S287 PolarHBondContact NH1-OG 3.19Å; R256-S287 PolarHBondContact NH2-O 3.22Å; N283-S287 PolarHBondContact ND2-O 3.29Å; S287-E370 WeakPolarHBondContact CA-OE2 3.4Å; S287-E370 WeakPolarHBondContact CB-OE2 3.32Å
288H89.7Confident93.9Very high68 Ų6848.8 Ų48.832%0.31522%0.219SC..  trans-77.2167-171.9-64.4-79.9000112.5R256 E370R256-H288 PolarHBondContact NH2-O 3.06Å; H288-E370 IonicContact CD2-OE1 2.71Å; H288-E370 PolarHBondContact N-OE2 3.4Å
289I92.3Very high93.7Very high10 Ų1048.8 Ų48.85%0.05122%0.219CC..EExtended strand (participates in β ladder)trans-109.3113.1161.1-55.5-62.4000105.3R256 L260 A292 M368R256-I289 HydrophobicContact CG-CD1 4.48Å; L260-I289 HydrophobicContact CD1-CD1 3.87Å; L260-I289 HydrophobicContact CD1-CG1 4.05Å; L260-I289 HydrophobicContact CD2-CG1 4.1Å; I289-A292 HydrophobicContact CB-CB 4.11Å; I289-A292 HydrophobicContact CG2-CB 3.81Å; I289-M368 WeakPolarHBondContact CA-O 3.34Å
290V92.2Very high93.4Very high64 Ų6452.5 Ų52.539%0.38823%0.233SC..EExtended strand (participates in β ladder)trans-81.9142-176.8-176.30000108.5A292 M368 E370V290-A292 PolarHBondContact O-N 3.17Å; V290-M368 HydrophobicContact CB-CB 4.27Å; V290-M368 HydrophobicContact CB-CE 4.47Å; V290-M368 HydrophobicContact CG1-CE 4.08Å; V290-M368 PolarHBondContact N-O 3.04Å; V290-M368 PolarHBondContact O-N 3.36Å; V290-E370 HydrophobicContact CG2-CB 4.35Å
291E92.9Very high93.1Very high144 Ų14454.5 Ų54.567%0.67325%0.248SC*.EExtended strand (participates in β ladder)trans49.938.7-174-64.3179.6179.400113.3H293 M368E291-H293 PolarHBondContact O-N 2.69Å; E291-H293 PolarHBondContact O-ND1 3.34Å; E291-M368 HydrophobicContact CB-CE 4.02Å; E291-M368 VanDerWaalsContact CD-CE 3.45Å; E291-M368 HydrophobicContact CG-CE 3.85Å; E291-M368 VanDerWaalsContact OE2-CE 3.25Å; E291-M368 WeakPolarHBondContact OE2-CE 3.39Å
292A95.1Very high92.8Very high2 Ų258.7 Ų58.72%0.01727%0.265CS..EExtended strand (participates in β ladder)trans-62.5130.9176.500000110.2I289 V290 R327 L328 L365 E366I289-A292 HydrophobicContact CB-CB 4.11Å; I289-A292 HydrophobicContact CG2-CB 3.81Å; V290-A292 PolarHBondContact O-N 3.17Å; A292-R327 CarbonylContact O-C 3.51Å; A292-R327 WeakPolarHBondContact O-CA 3.06Å; A292-L328 HydrophobicContact CB-CB 4.24Å; A292-L328 PolarHBondContact O-N 3.04Å; A292-L365 HydrophobicContact CB-CD1 4.44Å; A292-E366 CarbonylContact C-O 3.57Å; A292-E366 VanDerWaalsContact CA-O 3.25Å; A292-E366 WeakPolarHBondContact CA-O 3.36Å
293H96.1Very high92.8Very high59 Ų5962.5 Ų62.527%0.27329%0.288SS..EExtended strand (participates in β ladder)trans-145.9151.7175.357.6-78.9000110.9E291 D326 E366E291-H293 PolarHBondContact O-N 2.69Å; E291-H293 PolarHBondContact O-ND1 3.34Å; H293-D326 VanDerWaalsContact CA-O 3.29Å; H293-D326 WeakPolarHBondContact CA-O 3.37Å; H293-E366 VanDerWaalsContact CE1-CB 3.49Å; H293-E366 WeakPolarHBondContact CE1-CB 3.13Å; H293-E366 PolarHBondContact N-O 3.34Å; H293-E366 WeakPolarHBondContact NE2-CB 3.11Å; H293-E366 IonicContact NE2-OE2 2.95Å; H293-E366 PolarHBondContact O-N 2.72Å
294V97.1Very high92.8Very high3 Ų363.2 Ų63.22%0.01829%0.293CS..EExtended strand (participates in β ladder)trans-115.6147.3-176.9-770000112.7V319 D326 L328 I336 I364 L365V294-V319 HydrophobicContact CG2-CG2 4.1Å; V294-V319 VanDerWaalsContact O-CG2 3.3Å; V294-V319 WeakPolarHBondContact O-CG2 3.34Å; V294-D326 WeakPolarHBondContact CG2-O 3.42Å; V294-D326 PolarHBondContact N-O 3.02Å; V294-L328 HydrophobicContact CB-CD1 4.47Å; V294-L328 HydrophobicContact CG1-CD1 3.58Å; V294-L328 HydrophobicContact CG1-CG 4.45Å; V294-L328 HydrophobicContact CG2-CD1 4.14Å; V294-L328 HydrophobicContact CG2-CD2 4.25Å; V294-L328 HydrophobicContact CG2-CG 4.28Å; V294-I336 HydrophobicContact CG1-CD1 4.25Å; V294-I336 HydrophobicContact CG1-CG1 4.32Å; V294-I336 HydrophobicContact CG2-CD1 4.03Å; V294-I336 HydrophobicContact CG2-CG1 4.36Å; V294-I336 HydrophobicContact CG2-CG2 3.94Å; V294-I364 WeakPolarHBondContact CA-O 3.41Å; V294-L365 HydrophobicContact CG1-CB 4.26Å; V294-L365 HydrophobicContact CG1-CD1 3.66Å
295R96.9Very high93.1Very high109 Ų10963.9 Ų63.941%0.41131%0.31SS..EExtended strand (participates in β ladder)trans-139.2150.2176.2-57.2179.362.9-1710.5109.3I364 E366R295-I364 HydrophobicContact CB-CB 4.35Å; R295-I364 PolarHBondContact N-O 3.45Å; R295-I364 PolarHBondContact O-N 2.94Å; R295-E366 WeakPolarHBondContact CD-OE2 3.44Å; R295-E366 IonicContact NH1-OE2 3.85Å
296A97.6Very high93.4Very high0 Ų065.6 Ų65.60%032%0.324CS..EExtended strand (participates in β ladder)trans-140.8143.1177.300000110.7W279 L317 V319 V362 V363W279-A296 HydrophobicContact CH2-CB 3.49Å; W279-A296 VanDerWaalsContact CH2-CB 3.49Å; W279-A296 HydrophobicContact CZ2-CB 3.78Å; W279-A296 HydrophobicContact CZ3-CB 4.49Å; A296-L317 HydrophobicContact CB-CB 3.95Å; A296-L317 HydrophobicContact CB-CD1 4.22Å; A296-L317 PolarHBondContact O-N 2.71Å; A296-V319 HydrophobicContact CB-CG1 4.29Å; A296-V362 CarbonylContact C-O 3.58Å; A296-V362 WeakPolarHBondContact CA-O 3.43Å; A296-V363 HydrophobicContact CB-CG1 4.22Å
297Q97.1Very high93.9Very high40 Ų4056.6 Ų56.619%0.18731%0.306CS..EExtended strand (participates in β ladder)trans-133.5126.9-178.1-65.2-177.8-45.800109.8M315 I361 V362Q297-M315 CarbonylContact C-O 3.48Å; Q297-M315 VanDerWaalsContact CA-O 3.3Å; Q297-M315 WeakPolarHBondContact CA-O 3.45Å; Q297-I361 CarbonylContact O-C 3.56Å; Q297-I361 WeakPolarHBondContact O-CA 3.29Å; Q297-V362 PolarHBondContact N-O 3Å; Q297-V362 PolarHBondContact O-N 3.33Å
298L96.8Very high94.2Very high2 Ų260.8 Ų60.81%0.0132%0.322CS..EExtended strand (participates in β ladder)trans-79.8125.2166.3179.868.1000109M315 L317 P345 L346 F359 I361L298-M315 HydrophobicContact CB-CB 4.35Å; L298-M315 HydrophobicContact CD2-SD 4.32Å; L298-M315 PolarHBondContact N-O 3.47Å; L298-M315 PolarHBondContact O-N 3.12Å; L298-L317 HydrophobicContact CB-CD1 4.3Å; L298-L317 HydrophobicContact CB-CD2 4.19Å; L298-L317 HydrophobicContact CB-CG 4.21Å; L298-P345 HydrophobicContact CB-CG 4.38Å; L298-P345 HydrophobicContact CD2-CB 3.69Å; L298-P345 HydrophobicContact CD2-CG 3.69Å; L298-L346 HydrophobicContact CD1-CD2 4.23Å; L298-L346 HydrophobicContact CD2-CD2 4.03Å; L298-F359 HydrophobicContact CD1-CB 3.81Å; L298-F359 HydrophobicContact CD1-CD2 3.31Å; L298-F359 HydrophobicContact CD1-CE2 4Å; L298-F359 HydrophobicContact CD1-CG 3.7Å; L298-I361 HydrophobicContact CD1-CD1 4.48Å; L298-I361 HydrophobicContact CD1-CG1 3.81Å
299I95.1Very high94.3Very high5 Ų562.6 Ų62.63%0.02633%0.328CS..EExtended strand (participates in β ladder)trans-113.5117.9177.6-54.8-169.2000109F90 L312 E313 Q314 E360 V362F90-I299 HydrophobicContact CD1-CD1 3.53Å; F90-I299 HydrophobicContact CE1-CD1 4Å; F90-I299 HydrophobicContact CG-CD1 4.4Å; I299-L312 HydrophobicContact CG2-CB 4.25Å; I299-L312 HydrophobicContact CG2-CD2 3.49Å; I299-L312 VanDerWaalsContact CG2-CD2 3.49Å; I299-L312 HydrophobicContact CG2-CG 4.47Å; I299-E313 WeakPolarHBondContact CA-O 3.28Å; I299-Q314 HydrophobicContact CD1-CG 4.37Å; I299-Q314 HydrophobicContact CG1-CG 4.26Å; I299-E360 WeakPolarHBondContact CA-O 3.17Å; I299-E360 HydrophobicContact CB-CB 4.49Å; I299-E360 WeakPolarHBondContact CB-O 3.4Å; I299-E360 PolarHBondContact N-O 3.19Å; I299-E360 PolarHBondContact O-N 3.46Å; I299-V362 HydrophobicContact CD1-CB 4.29Å; I299-V362 HydrophobicContact CD1-CG2 3.45Å; I299-V362 VanDerWaalsContact CD1-CG2 3.45Å; I299-V362 HydrophobicContact CG1-CG2 4.15Å
300R91.9Very high94.4Very high80 Ų8064.5 Ų64.530%0.30234%0.338SS..EExtended strand (participates in β ladder)trans-146.1164.1178.857.1-175.7-116.4151.6-6.5110.8L312 E313 F359R300-L312 CarbonylContact O-C 3.56Å; R300-E313 PolarHBondContact N-O 2.97Å; R300-E313 PolarHBondContact O-N 3.16Å; R300-F359 HydrophobicContact CB-CB 4.26Å
301S90.7Very high94.3Very high53 Ų5364.6 Ų64.637%0.37134%0.34SS..EExtended strand (participates in β ladder)trans-85.7136.5167.340.60000109.5R87 I310R87-S301 PolarHBondContact NH1-OG 2.95Å; S301-I310 WeakPolarHBondContact CA-O 3.19Å
302Y90.6Very high94.2Very high88 Ų8860.8 Ų60.835%0.34532%0.324SS..EExtended strand (participates in β ladder)trans-131.2153.3-178.8178.9-121000111.1T304 I310 E313Y302-T304 HydrophobicContact CD1-CG2 4.38Å; Y302-T304 HydrophobicContact CE1-CG2 4.06Å; Y302-I310 HydrophobicContact CD1-CD1 4.35Å; Y302-I310 PolarHBondContact N-O 2.86Å; Y302-I310 PolarHBondContact O-N 2.68Å; Y302-E313 WeakPolarHBondContact CB-OE2 3.45Å; Y302-E313 WeakPolarHBondContact CD1-OE1 3.36Å; Y302-E313 WeakPolarHBondContact CD1-OE2 3.35Å; Y302-E313 VanDerWaalsContact CG-OE2 3.29Å
303V93.1Very high94.1Very high80 Ų8062.8 Ų62.849%0.48533%0.333SS..EExtended strand (participates in β ladder)trans-124.4122.7171.6177.90000107.1E308 F309V303-E308 CarbonylContact C-O 3.56Å; V303-E308 VanDerWaalsContact CA-O 3.26Å; V303-E308 WeakPolarHBondContact CA-O 3.25Å; V303-F309 HydrophobicContact CG2-CB 4.5Å; V303-F309 HydrophobicContact CG2-CD2 3.83Å
304T94.4Very high94Very high23 Ų2365 Ų6514%0.14134%0.343CS..  trans-70.1166.4-179.980.80000111.2Y302 E306 G307 E308 I310Y302-T304 HydrophobicContact CD1-CG2 4.38Å; Y302-T304 HydrophobicContact CE1-CG2 4.06Å; T304-E306 WeakPolarHBondContact CB-OE2 3.44Å; T304-E306 PolarHBondContact O-N 3.21Å; T304-E306 PolarHBondContact OG1-N 3.02Å; T304-E306 PolarHBondContact OG1-OE2 3.22Å; T304-G307 PolarHBondContact O-N 2.86Å; T304-G307 PolarHBondContact OG1-N 2.89Å; T304-E308 HydrophobicContact CG2-CB 3.98Å; T304-E308 PolarHBondContact N-O 3.11Å; T304-E308 PolarHBondContact OG1-N 3.4Å; T304-I310 HydrophobicContact CG2-CD1 4.08Å; T304-I310 HydrophobicContact CG2-CG1 4.47Å
305A93.8Very high93.9Very high98 Ų9867.7 Ų67.781%0.8136%0.357SS*.THydrogen-bonded Turntrans-61.7-26.1177.200000112.8G307A305-G307 VanDerWaalsContact C-N 3.3Å
306E95.6Very high93.9Very high166 Ų16666.6 Ų66.678%0.77636%0.359SS*.THydrogen-bonded Turntrans-80.5-10.5176.8-54.269.6-150.400112.6T304T304-E306 WeakPolarHBondContact CB-OE2 3.44Å; T304-E306 PolarHBondContact O-N 3.21Å; T304-E306 PolarHBondContact OG1-N 3.02Å; T304-E306 PolarHBondContact OG1-OE2 3.22Å
307G93.6Very high93.8Very high53 Ų5366.6 Ų66.655%0.54636%0.359SS..  trans91.912.9179.400000115.4T304 A305T304-G307 PolarHBondContact O-N 2.86Å; T304-G307 PolarHBondContact OG1-N 2.89Å; A305-G307 VanDerWaalsContact C-N 3.3Å
308E94.9Very high93.8Very high130 Ų13067.6 Ų67.661%0.60737%0.366SS*.  trans-72.7130.2172-179.6174-16700110.3V303 T304V303-E308 CarbonylContact C-O 3.56Å; V303-E308 VanDerWaalsContact CA-O 3.26Å; V303-E308 WeakPolarHBondContact CA-O 3.25Å; T304-E308 HydrophobicContact CG2-CB 3.98Å; T304-E308 PolarHBondContact N-O 3.11Å; T304-E308 PolarHBondContact OG1-N 3.4Å
309F93.3Very high93.8Very high105 Ų10568.1 Ų68.146%0.46137%0.369SS..EExtended strand (participates in β ladder)trans-95.6114.8177.2173.5-103.2000111.1V303 P311V303-F309 HydrophobicContact CG2-CB 4.5Å; V303-F309 HydrophobicContact CG2-CD2 3.83Å; F309-P311 HydrophobicContact CD1-CG 4.1Å; F309-P311 HydrophobicContact CE1-CB 3.94Å; F309-P311 HydrophobicContact CE1-CG 3.77Å; F309-P311 HydrophobicContact CZ-CB 4.4Å; F309-P311 WeakPolarHBondContact O-CD 3.25Å
310I93.4Very high93.7Very high50 Ų5068.5 Ų68.526%0.25637%0.374SS..EExtended strand (participates in β ladder)trans-98.9110.5175.9-53.2-177.9000108.3S301 Y302 T304 L312 E313S301-I310 WeakPolarHBondContact CA-O 3.19Å; Y302-I310 HydrophobicContact CD1-CD1 4.35Å; Y302-I310 PolarHBondContact N-O 2.86Å; Y302-I310 PolarHBondContact O-N 2.68Å; T304-I310 HydrophobicContact CG2-CD1 4.08Å; T304-I310 HydrophobicContact CG2-CG1 4.47Å; I310-L312 PolarHBondContact O-N 2.9Å; I310-E313 HydrophobicContact CB-CB 4.48Å; I310-E313 HydrophobicContact CG2-CB 3.89Å
311P90Very high93.8Very high66 Ų6672.7 Ų72.743%0.42939%0.391SS..EExtended strand (participates in β ladder)trans-67.1-33.5-171.5-21.632.1000114.8R87 F309R87-P311 PolarHBondContact NH2-O 3.27Å; F309-P311 HydrophobicContact CD1-CG 4.1Å; F309-P311 HydrophobicContact CE1-CB 3.94Å; F309-P311 HydrophobicContact CE1-CG 3.77Å; F309-P311 HydrophobicContact CZ-CB 4.4Å; F309-P311 WeakPolarHBondContact O-CD 3.25Å
312L90.8Very high93.8Very high65 Ų6576.4 Ų76.434%0.3441%0.407SS..EExtended strand (participates in β ladder)trans-145.171.9-175.3-71.3167.4000108F90 I299 R300 I310F90-L312 HydrophobicContact CD2-CD1 3.86Å; F90-L312 HydrophobicContact CE2-CD1 3.87Å; I299-L312 HydrophobicContact CG2-CB 4.25Å; I299-L312 HydrophobicContact CG2-CD2 3.49Å; I299-L312 VanDerWaalsContact CG2-CD2 3.49Å; I299-L312 HydrophobicContact CG2-CG 4.47Å; R300-L312 CarbonylContact O-C 3.56Å; I310-L312 PolarHBondContact O-N 2.9Å
313E94Very high93.9Very high43 Ų4379.8 Ų79.820%0.20143%0.425CS..EExtended strand (participates in β ladder)trans-65136.8168-174.9176.1-13000108.9I299 R300 Y302 I310 M315I299-E313 WeakPolarHBondContact CA-O 3.28Å; R300-E313 PolarHBondContact N-O 2.97Å; R300-E313 PolarHBondContact O-N 3.16Å; Y302-E313 WeakPolarHBondContact CB-OE2 3.45Å; Y302-E313 WeakPolarHBondContact CD1-OE1 3.36Å; Y302-E313 WeakPolarHBondContact CD1-OE2 3.35Å; Y302-E313 VanDerWaalsContact CG-OE2 3.29Å; I310-E313 HydrophobicContact CB-CB 4.48Å; I310-E313 HydrophobicContact CG2-CB 3.89Å; E313-M315 HydrophobicContact CG-CG 4.05Å
314Q94.3Very high93.9Very high105 Ų10576.6 Ų76.649%0.49141%0.409SS..EExtended strand (participates in β ladder)trans-113.5107.5178-6417434.100107.9I299I299-Q314 HydrophobicContact CD1-CG 4.37Å; I299-Q314 HydrophobicContact CG1-CG 4.26Å
315M94.8Very high93.8Very high60 Ų6079.4 Ų79.430%0.29643%0.426SS..EExtended strand (participates in β ladder)trans-102.9130.7177.3-49.8177.780.300108.3Q297 L298 E313 P345Q297-M315 CarbonylContact C-O 3.48Å; Q297-M315 VanDerWaalsContact CA-O 3.3Å; Q297-M315 WeakPolarHBondContact CA-O 3.45Å; L298-M315 HydrophobicContact CB-CB 4.35Å; L298-M315 HydrophobicContact CD2-SD 4.32Å; L298-M315 PolarHBondContact N-O 3.47Å; L298-M315 PolarHBondContact O-N 3.12Å; E313-M315 HydrophobicContact CG-CG 4.05Å; M315-P345 HydrophobicContact CB-CG 4.4Å; M315-P345 HydrophobicContact CE-CB 3.76Å; M315-P345 HydrophobicContact SD-CB 3.84Å
316D96.1Very high93.8Very high87 Ų8775.3 Ų75.347%0.46539%0.391SS..EExtended strand (participates in β ladder)trans-71.7146.8178.1-158.882.4000111
317L96.2Very high93.8Very high0 Ų075.8 Ų75.80%039%0.385CS..  trans-114.9110.9175.3-66.6175.1000108.5L277 A296 L298 V319 P345 L346 I361L277-L317 HydrophobicContact CD2-CD1 4.42Å; A296-L317 HydrophobicContact CB-CB 3.95Å; A296-L317 HydrophobicContact CB-CD1 4.22Å; A296-L317 PolarHBondContact O-N 2.71Å; L298-L317 HydrophobicContact CB-CD1 4.3Å; L298-L317 HydrophobicContact CB-CD2 4.19Å; L298-L317 HydrophobicContact CB-CG 4.21Å; L317-V319 PolarHBondContact O-N 3.45Å; L317-V319 VanDerWaalsContact O-N 3.14Å; L317-P345 HydrophobicContact CD2-CG 3.45Å; L317-P345 VanDerWaalsContact CD2-CG 3.45Å; L317-L346 HydrophobicContact CD2-CD1 4.39Å; L317-L346 HydrophobicContact CD2-CG 4.38Å; L317-I361 HydrophobicContact CD1-CD1 4Å; L317-I361 HydrophobicContact CD1-CG1 4.17Å; L317-I361 HydrophobicContact CD1-CG2 3.63Å
318N96.3Very high93.9Very high60 Ų6074.5 Ų74.532%0.32137%0.366SS..  trans-63.5117.1-176-163.4-9000111.3G320 Y321 D322 H338N318-G320 PolarHBondContact OD1-N 3.35Å; N318-Y321 PolarHBondContact OD1-N 2.96Å; N318-D322 PolarHBondContact ND2-OD2 2.89Å; N318-H338 PolarHBondContact O-ND1 3.08Å
319V96.3Very high93.9Very high14 Ų1475.9 Ų75.99%0.08537%0.37CS..SBendtrans-110.719.8177-69.30000112.2W279 V294 A296 L317 D326 I336 H338W279-V319 HydrophobicContact CH2-CG1 3.45Å; W279-V319 VanDerWaalsContact CH2-CG1 3.45Å; W279-V319 HydrophobicContact CZ2-CG1 3.86Å; V294-V319 HydrophobicContact CG2-CG2 4.1Å; V294-V319 VanDerWaalsContact O-CG2 3.3Å; V294-V319 WeakPolarHBondContact O-CG2 3.34Å; A296-V319 HydrophobicContact CB-CG1 4.29Å; L317-V319 PolarHBondContact O-N 3.45Å; L317-V319 VanDerWaalsContact O-N 3.14Å; V319-D326 HydrophobicContact CG2-CB 4.19Å; V319-I336 HydrophobicContact CB-CG2 4.12Å; V319-I336 HydrophobicContact CG1-CG2 3.93Å; V319-H338 HydrophobicContact CG1-CB 4.34Å
320G93.8Very high93.9Very high12 Ų1271 Ų7112%0.12435%0.349CS..SBendtrans10724.9-179.100000115N318 D322 E323 G324 T325 D326N318-G320 PolarHBondContact OD1-N 3.35Å; G320-D322 PolarHBondContact O-N 2.91Å; G320-E323 PolarHBondContact O-N 3.46Å; G320-G324 CarbonylContact O-C 3.53Å; G320-G324 WeakPolarHBondContact O-CA 3.21Å; G320-G324 PolarHBondContact O-N 3.13Å; G320-T325 WeakPolarHBondContact CA-OG1 3.21Å; G320-T325 PolarHBondContact O-N 3.08Å; G320-T325 PolarHBondContact O-OG1 3.03Å; G320-D326 PolarHBondContact O-N 3.22Å
321Y93.1Very high93.8Very high169 Ų16972.1 Ų72.166%0.66336%0.358SS*.THydrogen-bonded Turntrans-63-43.2-176.7178.8-102.8000112.4N318 E323 G324N318-Y321 PolarHBondContact OD1-N 2.96Å; Y321-E323 VanDerWaalsContact C-N 3.31Å; Y321-E323 PolarHBondContact O-N 2.87Å; Y321-G324 PolarHBondContact O-N 3.29Å
322D92.3Very high93.9Very high131 Ų13170.7 Ų70.770%0.70135%0.349SS*.THydrogen-bonded Turntrans-70-28-177.8-52.4-76.5000113.1N318 G320N318-D322 PolarHBondContact ND2-OD2 2.89Å; G320-D322 PolarHBondContact O-N 2.91Å
323E92.6Very high94.2Very high158 Ų15868 Ų6874%0.73834%0.336SS*.THydrogen-bonded Turntrans-90.5-11.9174.9-60.5-177.4164.500112.3G320 Y321 T325G320-E323 PolarHBondContact O-N 3.46Å; Y321-E323 VanDerWaalsContact C-N 3.31Å; Y321-E323 PolarHBondContact O-N 2.87Å; E323-T325 VanDerWaalsContact C-N 3.25Å; E323-T325 HydrophobicContact CB-CG2 4.08Å; E323-T325 PolarHBondContact O-N 3.46Å
324G92.3Very high94.3Very high14 Ų1468.5 Ų68.514%0.14434%0.34CS..THydrogen-bonded Turntrans64.925.3-171.100000114G320 Y321 D326 R327G320-G324 CarbonylContact O-C 3.53Å; G320-G324 WeakPolarHBondContact O-CA 3.21Å; G320-G324 PolarHBondContact O-N 3.13Å; Y321-G324 PolarHBondContact O-N 3.29Å; G324-D326 VanDerWaalsContact C-N 3.32Å; G324-D326 WeakPolarHBondContact CA-OD1 2.89Å; G324-R327 PolarHBondContact O-NE 3.29Å; G324-R327 PolarHBondContact O-NH2 2.97Å
325T92.3Very high94.4Very high81 Ų8165.4 Ų65.450%0.49733%0.328SS..  trans-86.3-5.5173.8500000112.5G320 E323 R327G320-T325 WeakPolarHBondContact CA-OG1 3.21Å; G320-T325 PolarHBondContact O-N 3.08Å; G320-T325 PolarHBondContact O-OG1 3.03Å; E323-T325 VanDerWaalsContact C-N 3.25Å; E323-T325 HydrophobicContact CB-CG2 4.08Å; E323-T325 PolarHBondContact O-N 3.46Å; T325-R327 PolarHBondContact O-N 3.23Å
326D94.8Very high94.6Very high13 Ų1363 Ų637%0.0732%0.316CS..SBendtrans-65.7-24.5165.671.8-45.8000113.2H293 V294 V319 G320 G324H293-D326 VanDerWaalsContact CA-O 3.29Å; H293-D326 WeakPolarHBondContact CA-O 3.37Å; V294-D326 WeakPolarHBondContact CG2-O 3.42Å; V294-D326 PolarHBondContact N-O 3.02Å; V319-D326 HydrophobicContact CG2-CB 4.19Å; G320-D326 PolarHBondContact O-N 3.22Å; G324-D326 VanDerWaalsContact C-N 3.32Å; G324-D326 WeakPolarHBondContact CA-OD1 2.89Å
327R95.8Very high94.6Very high175 Ų17560.9 Ų60.966%0.6631%0.306SS*.BIsolated β-bridgetrans-76.9121.9175.3-61.4170.4-60.3172.95110.2A292 G324 T325A292-R327 CarbonylContact O-C 3.51Å; A292-R327 WeakPolarHBondContact O-CA 3.06Å; G324-R327 PolarHBondContact O-NE 3.29Å; G324-R327 PolarHBondContact O-NH2 2.97Å; T325-R327 PolarHBondContact O-N 3.23Å
328L95.1Very high94.7Very high27 Ų2761 Ų6114%0.14131%0.307CS..  trans-110.4136.4-169.4-54.2-175.6000113.1V281 A292 V294 L330 L334 I336 L365V281-L328 HydrophobicContact CG2-CD1 4.11Å; A292-L328 HydrophobicContact CB-CB 4.24Å; A292-L328 PolarHBondContact O-N 3.04Å; V294-L328 HydrophobicContact CB-CD1 4.47Å; V294-L328 HydrophobicContact CG1-CD1 3.58Å; V294-L328 HydrophobicContact CG1-CG 4.45Å; V294-L328 HydrophobicContact CG2-CD1 4.14Å; V294-L328 HydrophobicContact CG2-CD2 4.25Å; V294-L328 HydrophobicContact CG2-CG 4.28Å; L328-L330 HydrophobicContact CB-CB 4.46Å; L328-L330 PolarHBondContact O-N 3.16Å; L328-L334 HydrophobicContact CB-CD1 4.14Å; L328-L334 HydrophobicContact CD1-CD1 4.46Å; L328-L334 HydrophobicContact CD2-CD1 4.21Å; L328-I336 HydrophobicContact CD1-CD1 3.7Å; L328-I336 HydrophobicContact CD2-CD1 3.92Å; L328-I336 HydrophobicContact CG-CD1 4.47Å; L328-L365 HydrophobicContact CD1-CD1 4.16Å
329F94.4Very high94.7Very high159 Ų15961.4 Ų61.470%0.69731%0.307SS*.  trans-92.779.5159.7-175.3-121.5000110.1V331F329-V331 HydrophobicContact CD1-CG2 3.91Å; F329-V331 HydrophobicContact CD2-CG2 4.37Å; F329-V331 HydrophobicContact CE1-CG2 3.43Å; F329-V331 VanDerWaalsContact CE1-CG2 3.43Å; F329-V331 HydrophobicContact CE2-CG2 3.94Å; F329-V331 HydrophobicContact CG-CG2 4.36Å; F329-V331 HydrophobicContact CZ-CG2 3.45Å; F329-V331 VanDerWaalsContact CZ-CG2 3.45Å; F329-V331 PolarHBondContact O-N 2.94Å
330L93.3Very high94.7Very high3 Ų361.3 Ų61.32%0.01631%0.306CS..  trans-82.379.8-169.7-171.665000113.2L260 V281 N283 L328 L334 L365L260-L330 HydrophobicContact CD2-CD2 3.79Å; V281-L330 HydrophobicContact CG2-CD1 3.84Å; N283-L330 HydrophobicContact CB-CD2 4.33Å; N283-L330 HydrophobicContact CB-CG 4.27Å; L328-L330 HydrophobicContact CB-CB 4.46Å; L328-L330 PolarHBondContact O-N 3.16Å; L330-L334 HydrophobicContact CD1-CB 4.28Å; L330-L334 HydrophobicContact CD1-CD1 4.03Å; L330-L334 HydrophobicContact CD1-CG 3.95Å; L330-L365 HydrophobicContact CD2-CD2 3.98Å
331V91.3Very high94.7Very high72 Ų7263.3 Ų63.344%0.43631%0.314SS..SBendtrans-96.6-59.1171.8-176.60000111.2F329F329-V331 HydrophobicContact CD1-CG2 3.91Å; F329-V331 HydrophobicContact CD2-CG2 4.37Å; F329-V331 HydrophobicContact CE1-CG2 3.43Å; F329-V331 VanDerWaalsContact CE1-CG2 3.43Å; F329-V331 HydrophobicContact CE2-CG2 3.94Å; F329-V331 HydrophobicContact CG-CG2 4.36Å; F329-V331 HydrophobicContact CZ-CG2 3.45Å; F329-V331 VanDerWaalsContact CZ-CG2 3.45Å; F329-V331 PolarHBondContact O-N 2.94Å
332S93.1Very high94.8Very high36 Ų3662 Ų6225%0.25231%0.311SS..SBendtrans-99.8166.4173.759.80000110.6L334 I397S332-L334 PolarHBondContact O-N 2.88Å; S332-I397 WeakPolarHBondContact OG-CD1 3.43Å
333P96.1Very high94.9Very high10 Ų1062.9 Ų62.97%0.06532%0.316CS..PPolyproline II helixtrans-58.3119.1176.6-31.840000114.2R280 V281 V396 V406 Y408 F411R280-P333 HydrophobicContact CG-CB 4.12Å; V281-P333 CarbonylContact O-C 3.5Å; V281-P333 WeakPolarHBondContact O-CA 3.46Å; P333-V396 HydrophobicContact CB-CG2 3.89Å; P333-V396 HydrophobicContact CG-CG2 3.93Å; P333-V406 HydrophobicContact CG-CG1 3.71Å; P333-Y408 HydrophobicContact CG-CE1 3.91Å; P333-F411 HydrophobicContact CB-CD2 3.88Å; P333-F411 HydrophobicContact CB-CE2 3.75Å; P333-F411 HydrophobicContact CG-CD2 3.81Å; P333-F411 HydrophobicContact CG-CE2 3.95Å
334L96.4Very high95Very high53 Ų5355.8 Ų55.828%0.27728%0.284SS..EExtended strand (participates in β ladder)trans-99.1143.1177.7-60.8179.7000110.6R280 V281 L328 L330 S332 I336R280-L334 CarbonylContact C-O 3.51Å; R280-L334 WeakPolarHBondContact CA-O 3.28Å; R280-L334 WeakPolarHBondContact CG-O 3.4Å; V281-L334 HydrophobicContact CG2-CB 4.12Å; V281-L334 PolarHBondContact N-O 2.95Å; V281-L334 PolarHBondContact O-N 3.17Å; L328-L334 HydrophobicContact CB-CD1 4.14Å; L328-L334 HydrophobicContact CD1-CD1 4.46Å; L328-L334 HydrophobicContact CD2-CD1 4.21Å; L330-L334 HydrophobicContact CD1-CB 4.28Å; L330-L334 HydrophobicContact CD1-CD1 4.03Å; L330-L334 HydrophobicContact CD1-CG 3.95Å; S332-L334 PolarHBondContact O-N 2.88Å; L334-I336 HydrophobicContact CB-CD1 4.48Å
335V97.1Very high95.1Very high39 Ų3956.7 Ų56.724%0.23629%0.287CS..EExtended strand (participates in β ladder)trans-98.3108.5170.4178.90000107.6M278 W279 R280 F393M278-V335 HydrophobicContact CB-CG1 3.84Å; M278-V335 HydrophobicContact CG-CG1 4.12Å; M278-V335 HydrophobicContact SD-CG1 4.31Å; W279-V335 CarbonylContact O-C 3.49Å; W279-V335 WeakPolarHBondContact O-CA 3.19Å; R280-V335 HydrophobicContact CB-CG2 4.48Å; R280-V335 HydrophobicContact CG-CG2 4.48Å; V335-F393 HydrophobicContact CG1-CD2 4.07Å; V335-F393 HydrophobicContact CG1-CE2 4.31Å; V335-F393 HydrophobicContact CG2-CD2 4.09Å
336I97.6Very high95.3Very high9 Ų953.1 Ų53.15%0.04627%0.265CS..EExtended strand (participates in β ladder)trans-71.2142.1173.8-48.4-50.7000108.2M278 W279 V281 V294 V319 L328 L334M278-I336 VanDerWaalsContact CA-O 3.27Å; M278-I336 WeakPolarHBondContact CA-O 3.43Å; W279-I336 HydrophobicContact CD2-CB 4.14Å; W279-I336 HydrophobicContact CD2-CG2 4.49Å; W279-I336 HydrophobicContact CG-CB 4.44Å; W279-I336 HydrophobicContact CH2-CG2 4.02Å; W279-I336 HydrophobicContact CZ2-CB 3.99Å; W279-I336 HydrophobicContact CZ2-CG2 3.47Å; W279-I336 VanDerWaalsContact CZ2-CG2 3.47Å; W279-I336 PolarHBondContact N-O 3.45Å; W279-I336 PolarHBondContact O-N 3.41Å; V281-I336 HydrophobicContact CG1-CG1 4.07Å; V281-I336 HydrophobicContact CG2-CD1 3.74Å; V281-I336 HydrophobicContact CG2-CG1 3.96Å; V294-I336 HydrophobicContact CG1-CD1 4.25Å; V294-I336 HydrophobicContact CG1-CG1 4.32Å; V294-I336 HydrophobicContact CG2-CD1 4.03Å; V294-I336 HydrophobicContact CG2-CG1 4.36Å; V294-I336 HydrophobicContact CG2-CG2 3.94Å; V319-I336 HydrophobicContact CB-CG2 4.12Å; V319-I336 HydrophobicContact CG1-CG2 3.93Å; L328-I336 HydrophobicContact CD1-CD1 3.7Å; L328-I336 HydrophobicContact CD2-CD1 3.92Å; L328-I336 HydrophobicContact CG-CD1 4.47Å; L334-I336 HydrophobicContact CB-CD1 4.48Å
337V97.3Very high95.3Very high44 Ų4454.2 Ų54.227%0.26727%0.268SS..EExtended strand (participates in β ladder)trans-126.9126.3-174.9-169.60000108.1C276 M278C276-V337 HydrophobicContact CB-CG1 3.61Å; M278-V337 HydrophobicContact CG-CG1 4.32Å; M278-V337 HydrophobicContact CG-CG2 4.3Å
338H97.6Very high95.2Very high3 Ų350.3 Ų50.31%0.01426%0.264CS..EExtended strand (participates in β ladder)trans-108.3118.4162167.659.4000107.1C276 L277 W279 N318 V319 S344C276-H338 CarbonylContact C-O 3.56Å; C276-H338 VanDerWaalsContact CA-O 3.3Å; C276-H338 WeakPolarHBondContact CA-O 3.41Å; L277-H338 HydrophobicContact CB-CB 4.28Å; L277-H338 PolarHBondContact N-O 2.99Å; L277-H338 PolarHBondContact O-N 3.11Å; W279-H338 HydrophobicContact CZ3-CB 4.31Å; N318-H338 PolarHBondContact O-ND1 3.08Å; V319-H338 HydrophobicContact CG1-CB 4.34Å; H338-S344 PolarHBondContact CE1-OG 3.39Å; H338-S344 PolarHBondContact NE2-OG 3.42Å
339E96.3Very high95.2Very high68 Ų6849.7 Ų49.732%0.31826%0.261SS..EExtended strand (participates in β ladder)trans-72.8129.5172-176.8173.6155.600109.6K274 D341K274-E339 HydrophobicContact CB-CG 4.43Å; K274-E339 VanDerWaalsContact CD-CD 3.48Å; K274-E339 HydrophobicContact CD-CG 4.36Å; K274-E339 VanDerWaalsContact CD-OE1 3.28Å; K274-E339 WeakPolarHBondContact CD-OE1 3.46Å; K274-E339 WeakPolarHBondContact CD-OE2 3.33Å; K274-E339 WeakPolarHBondContact CE-OE1 3.22Å; K274-E339 IonicContact NZ-OE1 2.66Å; K274-E339 PolarHBondContact NZ-OE1 2.89Å; K274-E339 IonicContact NZ-OE2 2.72Å; K274-E339 PolarHBondContact NZ-OE2 3.31Å; E339-D341 VanDerWaalsContact C-N 3.26Å; E339-D341 HydrophobicContact CG-CB 4.31Å; E339-D341 PolarHBondContact O-N 3.45Å; E339-D341 VanDerWaalsContact O-N 3.09Å
340I96.8Very high95.2Very high11 Ų1142.8 Ų42.86%0.05623%0.233CC..  trans-87.875.1176.5-53177.8000107.8I268 L275 L277 L346 A425I268-I340 HydrophobicContact CD1-CD1 4.41Å; I268-I340 HydrophobicContact CG2-CD1 4.34Å; L275-I340 HydrophobicContact CD2-CD1 4.23Å; L275-I340 HydrophobicContact CG-CD1 4.26Å; L275-I340 WeakPolarHBondContact O-CB 3.32Å; L275-I340 PolarHBondContact O-N 3.37Å; L277-I340 HydrophobicContact CB-CD1 4.39Å; I340-L346 HydrophobicContact CD1-CB 4.42Å; I340-L346 HydrophobicContact CG1-CB 4.49Å; I340-L346 HydrophobicContact CG2-CB 3.99Å; I340-L346 WeakPolarHBondContact CG2-O 3.29Å; I340-A425 HydrophobicContact CB-CB 4.14Å; I340-A425 HydrophobicContact CG2-CB 3.62Å; I340-A425 VanDerWaalsContact O-CB 3.29Å; I340-A425 WeakPolarHBondContact O-CB 3.21Å
341D94Very high95.2Very high54 Ų5446 Ų4629%0.28925%0.245SC..  trans-87.9-169.1175.669.218.5000112.2E339 D343 S344 Y347E339-D341 VanDerWaalsContact C-N 3.26Å; E339-D341 HydrophobicContact CG-CB 4.31Å; E339-D341 PolarHBondContact O-N 3.45Å; E339-D341 VanDerWaalsContact O-N 3.09Å; D341-D343 VanDerWaalsContact C-N 3.32Å; D341-D343 PolarHBondContact O-N 3.44Å; D341-D343 WeakPolarHBondContact OD1-CA 3.27Å; D341-D343 PolarHBondContact OD1-N 3.34Å; D341-S344 WeakPolarHBondContact O-CB 3.25Å; D341-S344 PolarHBondContact O-N 3.11Å; D341-S344 PolarHBondContact OD1-N 3.27Å; D341-Y347 VanDerWaalsContact C-CD2 3.45Å; D341-Y347 VanDerWaalsContact O-CB 3.25Å; D341-Y347 WeakPolarHBondContact O-CB 3.25Å; D341-Y347 WeakPolarHBondContact O-CD2 3.36Å; D341-Y347 VanDerWaalsContact O-CG 3.28Å
342K94.8Very high95.3Very high141 Ų14145.9 Ų45.961%0.61325%0.251SS*.SBendtrans-69.7-24.2-178.6-73.9163-173159.50114.7Y347 D429K342-Y347 HydrophobicContact CB-CE1 4.47Å; K342-Y347 WeakPolarHBondContact CE-OH 3.23Å; K342-Y347 HydrophobicContact CG-CE1 3.86Å; K342-Y347 HydrophobicContact CG-CE2 3.84Å; K342-Y347 VanDerWaalsContact CG-CZ 3.45Å; K342-Y347 WeakPolarHBondContact CG-OH 3.49Å; K342-D429 WeakPolarHBondContact CE-OD2 3.35Å; K342-D429 IonicContact NZ-OD2 3.47Å; K342-D429 PolarHBondContact NZ-OD2 2.89Å
343D93.6Very high95.3Very high151 Ų15147.8 Ų47.881%0.80726%0.258SS*.SBendtrans-93.3-16.6-179.6-65.2-44.1000110.8D341D341-D343 VanDerWaalsContact C-N 3.32Å; D341-D343 PolarHBondContact O-N 3.44Å; D341-D343 WeakPolarHBondContact OD1-CA 3.27Å; D341-D343 PolarHBondContact OD1-N 3.34Å
344S95.8Very high95.1Very high8 Ų847.6 Ų47.66%0.05626%0.257CS..SBendtrans-59.3131.6170.5-179.90000112.4H338 D341 L346 Y347H338-S344 PolarHBondContact CE1-OG 3.39Å; H338-S344 PolarHBondContact NE2-OG 3.42Å; D341-S344 WeakPolarHBondContact O-CB 3.25Å; D341-S344 PolarHBondContact O-N 3.11Å; D341-S344 PolarHBondContact OD1-N 3.27Å; S344-L346 PolarHBondContact O-N 2.85Å; S344-L346 PolarHBondContact OG-N 2.73Å; S344-L346 VanDerWaalsContact OG-N 3.14Å; S344-Y347 VanDerWaalsContact O-CB 3.32Å; S344-Y347 WeakPolarHBondContact O-CB 3.36Å; S344-Y347 PolarHBondContact O-N 3.19Å; S344-Y347 VanDerWaalsContact O-N 3.1Å
345P94.1Very high94.8Very high34 Ų3452.2 Ų52.222%0.22128%0.277CS..THydrogen-bonded Turntrans-68.4-5.7172.432.2-37.6000113.2L298 M315 L317L298-P345 HydrophobicContact CB-CG 4.38Å; L298-P345 HydrophobicContact CD2-CB 3.69Å; L298-P345 HydrophobicContact CD2-CG 3.69Å; M315-P345 HydrophobicContact CB-CG 4.4Å; M315-P345 HydrophobicContact CE-CB 3.76Å; M315-P345 HydrophobicContact SD-CB 3.84Å; L317-P345 HydrophobicContact CD2-CG 3.45Å; L317-P345 VanDerWaalsContact CD2-CG 3.45Å
346L95.4Very high94.4Very high5 Ų554.5 Ų54.53%0.02630%0.3CS..THydrogen-bonded Turntrans-96.71175.4-53.3178.8000112.8L277 L298 L317 I340 S344 T348 L349 F359 I361L277-L346 HydrophobicContact CD2-CD1 3.9Å; L298-L346 HydrophobicContact CD1-CD2 4.23Å; L298-L346 HydrophobicContact CD2-CD2 4.03Å; L317-L346 HydrophobicContact CD2-CD1 4.39Å; L317-L346 HydrophobicContact CD2-CG 4.38Å; I340-L346 HydrophobicContact CD1-CB 4.42Å; I340-L346 HydrophobicContact CG1-CB 4.49Å; I340-L346 HydrophobicContact CG2-CB 3.99Å; I340-L346 WeakPolarHBondContact CG2-O 3.29Å; S344-L346 PolarHBondContact O-N 2.85Å; S344-L346 PolarHBondContact OG-N 2.73Å; S344-L346 VanDerWaalsContact OG-N 3.14Å; L346-T348 VanDerWaalsContact C-N 3.26Å; L346-T348 PolarHBondContact O-N 2.93Å; L346-T348 VanDerWaalsContact O-N 3.14Å; L346-L349 HydrophobicContact CD2-CD2 4.27Å; L346-L349 VanDerWaalsContact O-CB 3.26Å; L346-L349 WeakPolarHBondContact O-CB 3.48Å; L346-L349 PolarHBondContact O-N 2.87Å; L346-F359 HydrophobicContact CD2-CZ 4.43Å; L346-I361 HydrophobicContact CD1-CD1 4.16Å
347Y96.1Very high94Very high36 Ų3657.4 Ų57.414%0.14132%0.316CS..THydrogen-bonded Turntrans-54.5-36.4-173.3-173-127.8000114.7D341 K342 S344 A425 K426 D429D341-Y347 VanDerWaalsContact C-CD2 3.45Å; D341-Y347 VanDerWaalsContact O-CB 3.25Å; D341-Y347 WeakPolarHBondContact O-CB 3.25Å; D341-Y347 WeakPolarHBondContact O-CD2 3.36Å; D341-Y347 VanDerWaalsContact O-CG 3.28Å; K342-Y347 HydrophobicContact CB-CE1 4.47Å; K342-Y347 WeakPolarHBondContact CE-OH 3.23Å; K342-Y347 HydrophobicContact CG-CE1 3.86Å; K342-Y347 HydrophobicContact CG-CE2 3.84Å; K342-Y347 VanDerWaalsContact CG-CZ 3.45Å; K342-Y347 WeakPolarHBondContact CG-OH 3.49Å; S344-Y347 VanDerWaalsContact O-CB 3.32Å; S344-Y347 WeakPolarHBondContact O-CB 3.36Å; S344-Y347 PolarHBondContact O-N 3.19Å; S344-Y347 VanDerWaalsContact O-N 3.1Å; Y347-A425 HydrophobicContact CD2-CB 3.79Å; Y347-A425 HydrophobicContact CE2-CB 4.16Å; Y347-A425 PolarHBondContact O-N 2.96Å; Y347-K426 HydrophobicContact CD1-CB 3.8Å; Y347-K426 HydrophobicContact CD1-CD 4.41Å; Y347-K426 HydrophobicContact CD1-CG 4.23Å; Y347-K426 HydrophobicContact CD2-CB 4.35Å; Y347-K426 HydrophobicContact CE1-CB 3.53Å; Y347-K426 HydrophobicContact CE1-CD 4.12Å; Y347-K426 HydrophobicContact CE1-CG 3.65Å; Y347-K426 HydrophobicContact CE2-CB 4.13Å; Y347-K426 HydrophobicContact CG-CB 4.2Å; Y347-K426 VanDerWaalsContact CZ-CA 3.44Å; Y347-K426 WeakPolarHBondContact O-CB 3.22Å; Y347-K426 PolarHBondContact O-N 3.33Å; Y347-D429 WeakPolarHBondContact OH-CB 3.27Å; Y347-D429 PolarHBondContact OH-OD2 3.18Å
348T94.1Very high93.7Very high93 Ų9358.6 Ų58.657%0.57132%0.321SS*.THydrogen-bonded Turntrans-92.51.9-179.859.70000114.1L346 K426L346-T348 VanDerWaalsContact C-N 3.26Å; L346-T348 PolarHBondContact O-N 2.93Å; L346-T348 VanDerWaalsContact O-N 3.14Å; T348-K426 HydrophobicContact CG2-CD 4Å
349L93.9Very high93.5Very high14 Ų1458.8 Ų58.87%0.07332%0.321CS..  trans-81.5118-175-170.975.7000110.9L346 D353 L354 F359 W389 S424L346-L349 HydrophobicContact CD2-CD2 4.27Å; L346-L349 VanDerWaalsContact O-CB 3.26Å; L346-L349 WeakPolarHBondContact O-CB 3.48Å; L346-L349 PolarHBondContact O-N 2.87Å; L349-D353 HydrophobicContact CD1-CB 3.68Å; L349-D353 HydrophobicContact CG-CB 4.47Å; L349-L354 HydrophobicContact CD2-CB 4.27Å; L349-L354 HydrophobicContact CD2-CD1 4.06Å; L349-L354 HydrophobicContact CG-CB 4.44Å; L349-F359 HydrophobicContact CD1-CE1 4.23Å; L349-F359 HydrophobicContact CD2-CE1 4.08Å; L349-F359 HydrophobicContact CD2-CZ 3.94Å; L349-W389 WeakPolarHBondContact O-CH2 3.45Å; L349-S424 WeakPolarHBondContact O-CA 3.47Å; L349-S424 WeakPolarHBondContact O-CB 3.49Å
350S95Very high93.5Very high15 Ų1556.1 Ų56.111%0.10531%0.309CS..  trans-91.2174.2169.577.90000112.2A352 D353 L354S350-A352 VanDerWaalsContact C-N 3.28Å; S350-A352 PolarHBondContact O-N 2.94Å; S350-A352 PolarHBondContact OG-N 3.18Å; S350-D353 WeakPolarHBondContact CB-OD2 3.27Å; S350-D353 PolarHBondContact N-OD2 3.44Å; S350-D353 PolarHBondContact O-N 2.97Å; S350-D353 PolarHBondContact OG-N 3.42Å; S350-D353 PolarHBondContact OG-OD2 3.42Å; S350-L354 PolarHBondContact O-N 2.96Å
351R93.8Very high93.5Very high71 Ų7155.6 Ų55.627%0.26831%0.306SS..Hα-helixtrans-58.1-41.2171.9179.7-178.9173.4158.811112.1L354 E355 W389 H422R351-L354 PolarHBondContact O-N 3.17Å; R351-E355 IonicContact NE-OE1 2.87Å; R351-E355 PolarHBondContact O-N 3.42Å; R351-W389 HydrophobicContact CB-CD2 3.74Å; R351-W389 HydrophobicContact CB-CE3 4.19Å; R351-W389 HydrophobicContact CB-CG 3.87Å; R351-W389 HydrophobicContact CB-CZ2 4.47Å; R351-W389 HydrophobicContact CG-CB 4.03Å; R351-W389 HydrophobicContact CG-CD2 4.21Å; R351-W389 HydrophobicContact CG-CG 3.83Å; R351-H422 HydrophobicContact CB-CB 3.96Å; R351-H422 PolarHBondContact N-O 3.27Å; R351-H422 VanDerWaalsContact N-O 3.07Å; R351-H422 PolarHBondContact NH1-CE1 3.36Å; R351-H422 PolarHBondContact NH1-NE2 3.24Å
352A92.8Very high93.7Very high69 Ų6953.2 Ų53.257%0.5729%0.294SS*.Hα-helixtrans-70-36.9-177.800000111.4S350 E355S350-A352 VanDerWaalsContact C-N 3.28Å; S350-A352 PolarHBondContact O-N 2.94Å; S350-A352 PolarHBondContact OG-N 3.18Å; A352-E355 PolarHBondContact O-N 3.5Å
353D92.5Very high93.8Very high75 Ų7546.5 Ų46.540%0.40127%0.265SS..Hα-helixtrans-66.7-41.1176.1-55.1-52.4000111L349 S350 E355 A356 D357L349-D353 HydrophobicContact CD1-CB 3.68Å; L349-D353 HydrophobicContact CG-CB 4.47Å; S350-D353 WeakPolarHBondContact CB-OD2 3.27Å; S350-D353 PolarHBondContact N-OD2 3.44Å; S350-D353 PolarHBondContact O-N 2.97Å; S350-D353 PolarHBondContact OG-N 3.42Å; S350-D353 PolarHBondContact OG-OD2 3.42Å; D353-E355 PolarHBondContact O-N 3.49Å; D353-A356 CarbonylContact O-C 3.4Å; D353-A356 PolarHBondContact O-N 2.9Å; D353-D357 VanDerWaalsContact O-CB 3.27Å; D353-D357 WeakPolarHBondContact O-CB 3.37Å; D353-D357 PolarHBondContact O-N 3.16Å
354L92.9Very high94Very high7 Ų740.1 Ų40.14%0.03723%0.23CC..Hα-helixtrans-58.3-30.6177.8179.366.3000113.4I268 L349 S350 R351 A356 F359 A384 I387 W389I268-L354 HydrophobicContact CD1-CD2 4.31Å; L349-L354 HydrophobicContact CD2-CB 4.27Å; L349-L354 HydrophobicContact CD2-CD1 4.06Å; L349-L354 HydrophobicContact CG-CB 4.44Å; S350-L354 PolarHBondContact O-N 2.96Å; R351-L354 PolarHBondContact O-N 3.17Å; L354-A356 VanDerWaalsContact C-N 3.34Å; L354-F359 HydrophobicContact CD1-CE1 4.13Å; L354-F359 HydrophobicContact CD1-CZ 3.63Å; L354-A384 HydrophobicContact CD1-CB 4Å; L354-I387 HydrophobicContact CD1-CB 4.15Å; L354-I387 HydrophobicContact CD1-CD1 4.19Å; L354-I387 HydrophobicContact CD2-CB 4.14Å; L354-I387 HydrophobicContact CD2-CG2 4.11Å; L354-W389 HydrophobicContact CD2-CB 4.32Å; L354-W389 HydrophobicContact CD2-CE3 3.92Å
355E90Very high94Very high149 Ų14939.8 Ų39.870%0.69623%0.228SC*.Hα-helixtrans-77.5-19.8176.6-67.8177.5-164.200112.8R351 A352 D353R351-E355 IonicContact NE-OE1 2.87Å; R351-E355 PolarHBondContact O-N 3.42Å; A352-E355 PolarHBondContact O-N 3.5Å; D353-E355 PolarHBondContact O-N 3.49Å
356A89Confident94Very high88 Ų8840.1 Ų40.173%0.72723%0.226SC*.Hα-helixtrans-108.1-24.8-176.600000114.8D353 L354D353-A356 CarbonylContact O-C 3.4Å; D353-A356 PolarHBondContact O-N 2.9Å; L354-A356 VanDerWaalsContact C-N 3.34Å
357D88.3Confident93.9Very high70 Ų7040.1 Ų40.137%0.37423%0.227SC..  trans-81.4153.4-173.1-161.77.8000112.9D353 F359 A384D353-D357 VanDerWaalsContact O-CB 3.27Å; D353-D357 WeakPolarHBondContact O-CB 3.37Å; D353-D357 PolarHBondContact O-N 3.16Å; D357-F359 HydrophobicContact CB-CD1 4.05Å; D357-F359 HydrophobicContact CB-CE1 4.13Å; D357-F359 WeakPolarHBondContact OD2-CD1 3.31Å; D357-A384 WeakPolarHBondContact O-CB 3.35Å
358D90.4Very high93.6Very high69 Ų6940.1 Ų40.137%0.36923%0.229SC..  trans-123.778.5-172.9-175.546.9000111.9R87R87-D358 WeakPolarHBondContact CB-OD1 3.46Å; R87-D358 WeakPolarHBondContact CB-OD2 3.36Å; R87-D358 WeakPolarHBondContact CD-OD2 2.88Å; R87-D358 IonicContact NH1-OD2 2.68Å
359F94Very high93.4Very high6 Ų636.4 Ų36.43%0.02621%0.207CC..  trans-128.2163.8174.866-98000112.8L298 R300 L346 L349 L354 D357 I361 A384 I387L298-F359 HydrophobicContact CD1-CB 3.81Å; L298-F359 HydrophobicContact CD1-CD2 3.31Å; L298-F359 HydrophobicContact CD1-CE2 4Å; L298-F359 HydrophobicContact CD1-CG 3.7Å; R300-F359 HydrophobicContact CB-CB 4.26Å; L346-F359 HydrophobicContact CD2-CZ 4.43Å; L349-F359 HydrophobicContact CD1-CE1 4.23Å; L349-F359 HydrophobicContact CD2-CE1 4.08Å; L349-F359 HydrophobicContact CD2-CZ 3.94Å; L354-F359 HydrophobicContact CD1-CE1 4.13Å; L354-F359 HydrophobicContact CD1-CZ 3.63Å; D357-F359 HydrophobicContact CB-CD1 4.05Å; D357-F359 HydrophobicContact CB-CE1 4.13Å; D357-F359 WeakPolarHBondContact OD2-CD1 3.31Å; F359-I361 HydrophobicContact CD2-CD1 4.49Å; F359-I361 HydrophobicContact CD2-CG1 3.99Å; F359-I361 HydrophobicContact CE2-CD1 3.91Å; F359-I361 HydrophobicContact CE2-CG1 3.9Å; F359-A384 HydrophobicContact CD1-CB 4.18Å; F359-A384 HydrophobicContact CE1-CB 3.9Å; F359-A384 HydrophobicContact CE2-CB 4.34Å; F359-A384 HydrophobicContact CZ-CB 4Å; F359-A384 PolarHBondContact O-N 2.89Å; F359-I387 HydrophobicContact CE2-CD1 3.65Å; F359-I387 HydrophobicContact CZ-CD1 4.01Å
360E96.3Very high93.1Very high12 Ų1240.3 Ų40.36%0.05622%0.224CC..EExtended strand (participates in β ladder)trans-127.3127.5174.7-178.2172.8167.300110.3R89 F90 V91 I299 V362 S381 Y382 L383R89-E360 VanDerWaalsContact CA-OE2 3.31Å; R89-E360 WeakPolarHBondContact CA-OE2 3.35Å; R89-E360 WeakPolarHBondContact CG-OE1 3.3Å; R89-E360 VanDerWaalsContact CG-OE2 3.23Å; R89-E360 WeakPolarHBondContact CG-OE2 3.25Å; F90-E360 PolarHBondContact N-OE2 2.9Å; V91-E360 PolarHBondContact N-OE1 2.85Å; I299-E360 WeakPolarHBondContact CA-O 3.17Å; I299-E360 HydrophobicContact CB-CB 4.49Å; I299-E360 WeakPolarHBondContact CB-O 3.4Å; I299-E360 PolarHBondContact N-O 3.19Å; I299-E360 PolarHBondContact O-N 3.46Å; E360-V362 HydrophobicContact CG-CG2 4.3Å; E360-S381 WeakPolarHBondContact OE1-CB 3.39Å; E360-S381 PolarHBondContact OE1-OG 3.32Å; E360-Y382 CarbonylContact C-O 3.6Å; E360-Y382 WeakPolarHBondContact CA-O 3.41Å; E360-L383 HydrophobicContact CB-CD2 3.84Å; E360-L383 HydrophobicContact CG-CD2 3.93Å
361I97.4Very high92.7Very high0 Ų044.1 Ų44.10%026%0.257CS..EExtended strand (participates in β ladder)trans-96.2110.2170.5-61-177.9000108.2L277 Q297 L298 L317 L346 F359 V363 S381 Y382 I387L277-I361 HydrophobicContact CD2-CD1 3.4Å; L277-I361 VanDerWaalsContact CD2-CD1 3.4Å; Q297-I361 CarbonylContact O-C 3.56Å; Q297-I361 WeakPolarHBondContact O-CA 3.29Å; L298-I361 HydrophobicContact CD1-CD1 4.48Å; L298-I361 HydrophobicContact CD1-CG1 3.81Å; L317-I361 HydrophobicContact CD1-CD1 4Å; L317-I361 HydrophobicContact CD1-CG1 4.17Å; L317-I361 HydrophobicContact CD1-CG2 3.63Å; L346-I361 HydrophobicContact CD1-CD1 4.16Å; F359-I361 HydrophobicContact CD2-CD1 4.49Å; F359-I361 HydrophobicContact CD2-CG1 3.99Å; F359-I361 HydrophobicContact CE2-CD1 3.91Å; F359-I361 HydrophobicContact CE2-CG1 3.9Å; I361-V363 HydrophobicContact CG2-CG1 4.13Å; I361-S381 CarbonylContact O-C 3.46Å; I361-S381 WeakPolarHBondContact O-CA 3.3Å; I361-S381 VanDerWaalsContact O-CB 3.26Å; I361-S381 WeakPolarHBondContact O-CB 3.26Å; I361-Y382 PolarHBondContact N-O 3.49Å; I361-Y382 PolarHBondContact O-N 3.05Å; I361-I387 HydrophobicContact CD1-CD1 3.8Å; I361-I387 HydrophobicContact CG1-CD1 4.48Å
362V97.9Very high92.4Very high5 Ų543.8 Ų43.83%0.0326%0.263CS..EExtended strand (participates in β ladder)trans-85129.5171.3177.60000108.6V91 A296 Q297 I299 E360 I364V91-V362 HydrophobicContact CB-CG1 4.43Å; V91-V362 HydrophobicContact CB-CG2 4.08Å; V91-V362 HydrophobicContact CG2-CG1 4.11Å; V91-V362 HydrophobicContact CG2-CG2 3.86Å; A296-V362 CarbonylContact C-O 3.58Å; A296-V362 WeakPolarHBondContact CA-O 3.43Å; Q297-V362 PolarHBondContact N-O 3Å; Q297-V362 PolarHBondContact O-N 3.33Å; I299-V362 HydrophobicContact CD1-CB 4.29Å; I299-V362 HydrophobicContact CD1-CG2 3.45Å; I299-V362 VanDerWaalsContact CD1-CG2 3.45Å; I299-V362 HydrophobicContact CG1-CG2 4.15Å; E360-V362 HydrophobicContact CG-CG2 4.3Å; V362-I364 HydrophobicContact CG1-CG1 4.21Å
363V97.6Very high92.2Very high0 Ų043.9 Ų43.90%026%0.263CS..EExtended strand (participates in β ladder)trans-114.1138.9176-63.10000109.9F262 W279 A296 I361 R379 S380 Y382F262-V363 HydrophobicContact CD1-CG2 3.57Å; F262-V363 HydrophobicContact CE1-CB 4.11Å; F262-V363 HydrophobicContact CE1-CG2 3.54Å; F262-V363 HydrophobicContact CG-CG2 4.26Å; F262-V363 HydrophobicContact CZ-CG2 4.21Å; W279-V363 HydrophobicContact CD2-CG1 3.89Å; W279-V363 HydrophobicContact CE3-CG1 4.36Å; W279-V363 HydrophobicContact CG-CG1 4.35Å; W279-V363 HydrophobicContact CH2-CG1 4.25Å; W279-V363 HydrophobicContact CZ2-CB 4.43Å; W279-V363 HydrophobicContact CZ2-CG1 3.75Å; A296-V363 HydrophobicContact CB-CG1 4.22Å; I361-V363 HydrophobicContact CG2-CG1 4.13Å; V363-R379 WeakPolarHBondContact O-CA 3.48Å; V363-S380 PolarHBondContact N-O 3.02Å; V363-S380 PolarHBondContact O-N 2.82Å; V363-Y382 HydrophobicContact CB-CE2 4.39Å; V363-Y382 HydrophobicContact CG1-CD2 4.06Å; V363-Y382 HydrophobicContact CG1-CE2 3.78Å; V363-Y382 HydrophobicContact CG2-CD2 4.39Å; V363-Y382 HydrophobicContact CG2-CE2 3.67Å
364I96.6Very high92Very high16 Ų1643.6 Ų43.68%0.08226%0.26CS..EExtended strand (participates in β ladder)trans-129.1134.5-174.2-45.5-175000108.1V294 R295 V362 E366 Q377 F378 R379V294-I364 WeakPolarHBondContact CA-O 3.41Å; R295-I364 HydrophobicContact CB-CB 4.35Å; R295-I364 PolarHBondContact N-O 3.45Å; R295-I364 PolarHBondContact O-N 2.94Å; V362-I364 HydrophobicContact CG1-CG1 4.21Å; I364-E366 HydrophobicContact CG2-CG 3.9Å; I364-Q377 HydrophobicContact CG2-CG 3.46Å; I364-Q377 VanDerWaalsContact CG2-CG 3.46Å; I364-F378 CarbonylContact C-O 3.58Å; I364-F378 WeakPolarHBondContact CA-O 3.21Å; I364-R379 HydrophobicContact CG1-CG 4.29Å; I364-R379 HydrophobicContact CG2-CG 4.21Å
365L95.4Very high91.9Very high2 Ų248.7 Ų48.71%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-120.3124.2168.1171.368.9000106.7L260 F262 A292 V294 L328 L330 F378L260-L365 HydrophobicContact CD1-CD2 4.16Å; L260-L365 HydrophobicContact CD2-CD2 4.02Å; F262-L365 HydrophobicContact CE1-CB 4.42Å; F262-L365 HydrophobicContact CZ-CB 3.79Å; A292-L365 HydrophobicContact CB-CD1 4.44Å; V294-L365 HydrophobicContact CG1-CB 4.26Å; V294-L365 HydrophobicContact CG1-CD1 3.66Å; L328-L365 HydrophobicContact CD1-CD1 4.16Å; L330-L365 HydrophobicContact CD2-CD2 3.98Å; L365-F378 HydrophobicContact CB-CB 4.33Å; L365-F378 HydrophobicContact CB-CD2 4.46Å; L365-F378 HydrophobicContact CD2-CD2 4.3Å; L365-F378 HydrophobicContact CG-CD2 4.22Å; L365-F378 PolarHBondContact N-O 3.05Å; L365-F378 WeakPolarHBondContact O-CD2 3.14Å; L365-F378 PolarHBondContact O-N 3.32Å
366E93.9Very high91.8Very high40 Ų4042.3 Ų42.319%0.18726%0.263CS..EExtended strand (participates in β ladder)trans-117.8156178.8-71.7-179.9124.100109.2A292 H293 R295 I364 Q377A292-E366 CarbonylContact C-O 3.57Å; A292-E366 VanDerWaalsContact CA-O 3.25Å; A292-E366 WeakPolarHBondContact CA-O 3.36Å; H293-E366 VanDerWaalsContact CE1-CB 3.49Å; H293-E366 WeakPolarHBondContact CE1-CB 3.13Å; H293-E366 PolarHBondContact N-O 3.34Å; H293-E366 WeakPolarHBondContact NE2-CB 3.11Å; H293-E366 IonicContact NE2-OE2 2.95Å; H293-E366 PolarHBondContact O-N 2.72Å; R295-E366 WeakPolarHBondContact CD-OE2 3.44Å; R295-E366 IonicContact NH1-OE2 3.85Å; I364-E366 HydrophobicContact CG2-CG 3.9Å; E366-Q377 HydrophobicContact CG-CB 4.12Å; E366-Q377 HydrophobicContact CG-CG 3.73Å; E366-Q377 PolarHBondContact OE1-NE2 2.7Å
367G93.2Very high91.9Very high5 Ų541.4 Ų41.45%0.05224%0.244CC..EExtended strand (participates in β ladder)trans158.5175.2179.100000112.2T375 T376G367-T375 CarbonylContact O-C 3.55Å; G367-T375 WeakPolarHBondContact O-CA 3.37Å; G367-T376 PolarHBondContact N-O 3.31Å; G367-T376 VanDerWaalsContact O-CG2 3.28Å; G367-T376 WeakPolarHBondContact O-CG2 3.27Å; G367-T376 PolarHBondContact O-N 3.01Å
368M91.5Very high92.1Very high37 Ų3738.4 Ų38.418%0.18223%0.227CC..EExtended strand (participates in β ladder)trans-100.3144-176.6-67.3-176.4-73.100112.5I289 V290 E291 E370 A373 M374 T375I289-M368 WeakPolarHBondContact CA-O 3.34Å; V290-M368 HydrophobicContact CB-CB 4.27Å; V290-M368 HydrophobicContact CB-CE 4.47Å; V290-M368 HydrophobicContact CG1-CE 4.08Å; V290-M368 PolarHBondContact N-O 3.04Å; V290-M368 PolarHBondContact O-N 3.36Å; E291-M368 HydrophobicContact CB-CE 4.02Å; E291-M368 VanDerWaalsContact CD-CE 3.45Å; E291-M368 HydrophobicContact CG-CE 3.85Å; E291-M368 VanDerWaalsContact OE2-CE 3.25Å; E291-M368 WeakPolarHBondContact OE2-CE 3.39Å; M368-E370 PolarHBondContact O-N 3.2Å; M368-A373 VanDerWaalsContact SD-O 3.4Å; M368-M374 WeakPolarHBondContact CA-O 3.35Å; M368-T375 HydrophobicContact CG-CG2 3.76Å; M368-T375 HydrophobicContact SD-CG2 4.46Å
369V89.4Confident92.3Very high15 Ų1538.4 Ų38.49%0.09122%0.222CC..EExtended strand (participates in β ladder)trans-78.7117.2169.5-177.10000109.4P253 R256 A371 T372 A373 M374 T376P253-V369 HydrophobicContact CB-CG2 3.65Å; P253-V369 HydrophobicContact CG-CG2 4.4Å; R256-V369 HydrophobicContact CB-CG2 4.34Å; R256-V369 HydrophobicContact CG-CG2 3.97Å; V369-A371 VanDerWaalsContact C-N 3.29Å; V369-A371 PolarHBondContact O-N 2.98Å; V369-A371 VanDerWaalsContact O-N 3.11Å; V369-T372 PolarHBondContact O-N 3.26Å; V369-A373 PolarHBondContact O-N 3.26Å; V369-M374 PolarHBondContact N-O 3.31Å; V369-M374 VanDerWaalsContact N-O 3.07Å; V369-T376 HydrophobicContact CG2-CG2 3.57Å
370E87.3Confident92.4Very high96 Ų9638.2 Ų38.245%0.44922%0.222SC..THydrogen-bonded Turntrans-39.8-50.1-179-177.6173.1-138.800114.6S287 H288 V290 M368 T372S287-E370 WeakPolarHBondContact CA-OE2 3.4Å; S287-E370 WeakPolarHBondContact CB-OE2 3.32Å; H288-E370 IonicContact CD2-OE1 2.71Å; H288-E370 PolarHBondContact N-OE2 3.4Å; V290-E370 HydrophobicContact CG2-CB 4.35Å; M368-E370 PolarHBondContact O-N 3.2Å; E370-T372 VanDerWaalsContact C-N 3.35Å; E370-T372 PolarHBondContact O-N 3.44Å
371A86.3Confident92.4Very high95 Ų9537.7 Ų37.779%0.78522%0.219SC*.THydrogen-bonded Turntrans-75.3-12.5-175.800000115.9V369V369-A371 VanDerWaalsContact C-N 3.29Å; V369-A371 PolarHBondContact O-N 2.98Å; V369-A371 VanDerWaalsContact O-N 3.11Å
372T87Confident92.4Very high64 Ų6437.7 Ų37.739%0.39322%0.219SC..THydrogen-bonded Turntrans-131.3-4.7-177.364.20000114.5V369 E370 M374V369-T372 PolarHBondContact O-N 3.26Å; E370-T372 VanDerWaalsContact C-N 3.35Å; E370-T372 PolarHBondContact O-N 3.44Å; T372-M374 PolarHBondContact O-N 2.87Å; T372-M374 PolarHBondContact OG1-N 3.31Å
373A89.3Confident92.3Very high70 Ų7037.8 Ų37.858%0.57922%0.22SC*.THydrogen-bonded Turntrans50.216.3-169.500000114.7M368 V369 T375M368-A373 VanDerWaalsContact SD-O 3.4Å; V369-A373 PolarHBondContact O-N 3.26Å; A373-T375 PolarHBondContact O-N 2.91Å
374M88.8Confident92.2Very high70 Ų7038.1 Ų38.135%0.34522%0.222SC..EExtended strand (participates in β ladder)trans-82.3123.6-179.5-65.5-174.279.300110.5A251 P253 M368 V369 T372A251-M374 HydrophobicContact CB-SD 4.27Å; A251-M374 VanDerWaalsContact O-SD 3.42Å; P253-M374 HydrophobicContact CG-CB 4.21Å; M368-M374 WeakPolarHBondContact CA-O 3.35Å; V369-M374 PolarHBondContact N-O 3.31Å; V369-M374 VanDerWaalsContact N-O 3.07Å; T372-M374 PolarHBondContact O-N 2.87Å; T372-M374 PolarHBondContact OG1-N 3.31Å
375T90.3Very high92Very high114 Ų11444.3 Ų44.370%0.69925%0.245SC*.EExtended strand (participates in β ladder)trans-59.9137.2171540000111.3G367 M368 A373G367-T375 CarbonylContact O-C 3.55Å; G367-T375 WeakPolarHBondContact O-CA 3.37Å; M368-T375 HydrophobicContact CG-CG2 3.76Å; M368-T375 HydrophobicContact SD-CG2 4.46Å; A373-T375 PolarHBondContact O-N 2.91Å
376T89Confident92.1Very high14 Ų1446 Ų469%0.08625%0.252CS..EExtended strand (participates in β ladder)trans-144.8136-176.6175.90000110.3G367 V369 F378G367-T376 PolarHBondContact N-O 3.31Å; G367-T376 VanDerWaalsContact O-CG2 3.28Å; G367-T376 WeakPolarHBondContact O-CG2 3.27Å; G367-T376 PolarHBondContact O-N 3.01Å; V369-T376 HydrophobicContact CG2-CG2 3.57Å; T376-F378 HydrophobicContact CG2-CE1 4.42Å; T376-F378 HydrophobicContact CG2-CE2 3.57Å; T376-F378 HydrophobicContact CG2-CZ 3.33Å; T376-F378 WeakPolarHBondContact OG1-CE1 3.47Å; T376-F378 WeakPolarHBondContact OG1-CZ 3.34Å
377Q91.2Very high92.2Very high70 Ų7044.5 Ų44.533%0.32725%0.245SC..EExtended strand (participates in β ladder)trans-111.1127-175.7-172.4-173.387.200109.9N257 I364 E366 R379N257-Q377 PolarHBondContact ND2-O 3.4Å; I364-Q377 HydrophobicContact CG2-CG 3.46Å; I364-Q377 VanDerWaalsContact CG2-CG 3.46Å; E366-Q377 HydrophobicContact CG-CB 4.12Å; E366-Q377 HydrophobicContact CG-CG 3.73Å; E366-Q377 PolarHBondContact OE1-NE2 2.7Å; Q377-R379 HydrophobicContact CG-CG 4.24Å
378F91.6Very high92.4Very high6 Ų647.6 Ų47.63%0.02626%0.258CS..EExtended strand (participates in β ladder)trans-113.9132.5177.8-48.4-75.3000108.7R256 N257 L260 F262 I364 L365 T376R256-F378 HydrophobicContact CB-CE1 4.31Å; R256-F378 HydrophobicContact CB-CZ 4.3Å; R256-F378 HydrophobicContact CG-CE1 4.34Å; R256-F378 HydrophobicContact CG-CZ 3.97Å; N257-F378 VanDerWaalsContact CA-CE1 3.47Å; N257-F378 HydrophobicContact CB-CD1 3.94Å; N257-F378 HydrophobicContact CB-CE1 4.01Å; N257-F378 VanDerWaalsContact CG-CE1 3.47Å; N257-F378 WeakPolarHBondContact ND2-CD1 3.44Å; N257-F378 WeakPolarHBondContact OD1-CE1 3.31Å; L260-F378 HydrophobicContact CB-CG 4.46Å; L260-F378 HydrophobicContact CD1-CD1 4Å; L260-F378 HydrophobicContact CD1-CD2 3.35Å; L260-F378 HydrophobicContact CD1-CE1 3.8Å; L260-F378 HydrophobicContact CD1-CE2 3.11Å; L260-F378 HydrophobicContact CD1-CG 3.78Å; L260-F378 HydrophobicContact CD1-CZ 3.34Å; F262-F378 HydrophobicContact CE2-CB 4.14Å; I364-F378 CarbonylContact C-O 3.58Å; I364-F378 WeakPolarHBondContact CA-O 3.21Å; L365-F378 HydrophobicContact CB-CB 4.33Å; L365-F378 HydrophobicContact CB-CD2 4.46Å; L365-F378 HydrophobicContact CD2-CD2 4.3Å; L365-F378 HydrophobicContact CG-CD2 4.22Å; L365-F378 PolarHBondContact N-O 3.05Å; L365-F378 WeakPolarHBondContact O-CD2 3.14Å; L365-F378 PolarHBondContact O-N 3.32Å; T376-F378 HydrophobicContact CG2-CE1 4.42Å; T376-F378 HydrophobicContact CG2-CE2 3.57Å; T376-F378 HydrophobicContact CG2-CZ 3.33Å; T376-F378 WeakPolarHBondContact OG1-CE1 3.47Å; T376-F378 WeakPolarHBondContact OG1-CZ 3.34Å
379R94.7Very high92.7Very high69 Ų6946.5 Ų46.526%0.2625%0.252SS..EExtended strand (participates in β ladder)trans-129.2146.9-175.6-62.2177.5-61.5-77.9-11.1110.5V91 G95 V363 I364 Q377V91-R379 HydrophobicContact CG1-CB 4.15Å; G95-R379 WeakPolarHBondContact CA-O 3.33Å; G95-R379 PolarHBondContact N-O 3.29Å; G95-R379 PolarHBondContact O-NE 2.75Å; G95-R379 PolarHBondContact O-NH2 2.85Å; V363-R379 WeakPolarHBondContact O-CA 3.48Å; I364-R379 HydrophobicContact CG1-CG 4.29Å; I364-R379 HydrophobicContact CG2-CG 4.21Å; Q377-R379 HydrophobicContact CG-CG 4.24Å
380S96.1Very high93Very high3 Ų346 Ų462%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-145179.2164.8-172.60000108.1K93 V363K93-S380 PolarHBondContact O-OG 3.36Å; V363-S380 PolarHBondContact N-O 3.02Å; V363-S380 PolarHBondContact O-N 2.82Å
381S97.1Very high93.4Very high0 Ų043.3 Ų43.30%024%0.237CC..EExtended strand (participates in β ladder)trans-149.4164.116981.90000113.1R89 V91 K93 E360 I361R89-S381 WeakPolarHBondContact CD-OG 3.38Å; R89-S381 PolarHBondContact NH1-O 3.4Å; R89-S381 PolarHBondContact NH1-OG 2.9Å; V91-S381 PolarHBondContact O-OG 3.15Å; K93-S381 WeakPolarHBondContact CD-O 3.27Å; K93-S381 VanDerWaalsContact CE-O 3.23Å; K93-S381 WeakPolarHBondContact CE-O 3.47Å; K93-S381 PolarHBondContact NZ-O 2.84Å; E360-S381 WeakPolarHBondContact OE1-CB 3.39Å; E360-S381 PolarHBondContact OE1-OG 3.32Å; I361-S381 CarbonylContact O-C 3.46Å; I361-S381 WeakPolarHBondContact O-CA 3.3Å; I361-S381 VanDerWaalsContact O-CB 3.26Å; I361-S381 WeakPolarHBondContact O-CB 3.26Å
382Y97.5Very high93.9Very high1 Ų144.1 Ų44.10%0.00422%0.219CC..EExtended strand (participates in β ladder)trans-126.5120.4175.4-54.7-79.5000108.6K93 S263 A266 W279 E360 I361 V363 E386K93-Y382 VanDerWaalsContact NZ-CD1 3.26Å; S263-Y382 WeakPolarHBondContact O-CE1 3.32Å; S263-Y382 PolarHBondContact O-OH 3.05Å; S263-Y382 VanDerWaalsContact O-OH 3.07Å; S263-Y382 PolarHBondContact OG-OH 3.49Å; A266-Y382 HydrophobicContact CB-CD1 3.92Å; A266-Y382 HydrophobicContact CB-CD2 4.04Å; A266-Y382 HydrophobicContact CB-CE1 4.25Å; A266-Y382 HydrophobicContact CB-CE2 4.33Å; A266-Y382 HydrophobicContact CB-CG 3.83Å; W279-Y382 HydrophobicContact CB-CE2 3.85Å; W279-Y382 HydrophobicContact CG-CE2 4.05Å; E360-Y382 CarbonylContact C-O 3.6Å; E360-Y382 WeakPolarHBondContact CA-O 3.41Å; I361-Y382 PolarHBondContact N-O 3.49Å; I361-Y382 PolarHBondContact O-N 3.05Å; V363-Y382 HydrophobicContact CB-CE2 4.39Å; V363-Y382 HydrophobicContact CG1-CD2 4.06Å; V363-Y382 HydrophobicContact CG1-CE2 3.78Å; V363-Y382 HydrophobicContact CG2-CD2 4.39Å; V363-Y382 HydrophobicContact CG2-CE2 3.67Å; Y382-E386 WeakPolarHBondContact CA-OE2 3.35Å
383L95.7Very high94.5Very high7 Ų741.9 Ų41.94%0.03720%0.204CC..EExtended strand (participates in β ladder)trans-76.9156166.4-61.5172.4000108.7R89 E360 R385 E386R89-L383 HydrophobicContact CB-CD1 4.43Å; R89-L383 HydrophobicContact CB-CD2 4.36Å; R89-L383 HydrophobicContact CG-CD2 4.17Å; R89-L383 HydrophobicContact CG-CG 4.5Å; E360-L383 HydrophobicContact CB-CD2 3.84Å; E360-L383 HydrophobicContact CG-CD2 3.93Å; L383-R385 VanDerWaalsContact C-N 3.28Å; L383-R385 HydrophobicContact CB-CG 4.38Å; L383-R385 PolarHBondContact O-N 2.87Å; L383-R385 VanDerWaalsContact O-N 3.15Å; L383-E386 HydrophobicContact CB-CG 4.33Å; L383-E386 PolarHBondContact N-OE2 3.26Å; L383-E386 WeakPolarHBondContact O-CA 3.42Å; L383-E386 WeakPolarHBondContact O-CB 3.07Å; L383-E386 PolarHBondContact O-N 2.96Å
384A94.4Very high94.8Very high6 Ų641.2 Ų41.25%0.0519%0.189CC..G310 helixtrans-42.9-51.5178.200000113.3L354 D357 F359 E386 I387L354-A384 HydrophobicContact CD1-CB 4Å; D357-A384 WeakPolarHBondContact O-CB 3.35Å; F359-A384 HydrophobicContact CD1-CB 4.18Å; F359-A384 HydrophobicContact CE1-CB 3.9Å; F359-A384 HydrophobicContact CE2-CB 4.34Å; F359-A384 HydrophobicContact CZ-CB 4Å; F359-A384 PolarHBondContact O-N 2.89Å; A384-E386 PolarHBondContact O-N 3.02Å; A384-I387 WeakPolarHBondContact O-CB 3.46Å; A384-I387 PolarHBondContact O-N 3.25Å
385R93.3Very high95.1Very high147 Ų14742.6 Ų42.656%0.55520%0.203SC*.G310 helixtrans-62-7.8175.870.8175.3172.8-79.76.9117.3V86 L383V86-R385 VanDerWaalsContact CG1-CZ 3.49Å; L383-R385 VanDerWaalsContact C-N 3.28Å; L383-R385 HydrophobicContact CB-CG 4.38Å; L383-R385 PolarHBondContact O-N 2.87Å; L383-R385 VanDerWaalsContact O-N 3.15Å
386E95.9Very high95.3Very high37 Ų3737.4 Ų37.417%0.17317%0.172CC..G310 helixtrans-103-1176.3-57.1-17813600112.5R89 K93 N265 A266 Y382 L383 A384R89-E386 IonicContact CZ-OE1 3.96Å; R89-E386 IonicContact CZ-OE2 3.62Å; R89-E386 IonicContact NH1-OE2 3.77Å; R89-E386 PolarHBondContact NH1-OE2 3.44Å; R89-E386 IonicContact NH2-OE1 3.56Å; R89-E386 PolarHBondContact NH2-OE1 3.48Å; R89-E386 IonicContact NH2-OE2 2.78Å; R89-E386 PolarHBondContact NH2-OE2 3.23Å; K93-E386 WeakPolarHBondContact CE-OE1 3.47Å; K93-E386 WeakPolarHBondContact CE-OE2 3.25Å; K93-E386 VanDerWaalsContact NZ-CD 3.31Å; K93-E386 IonicContact NZ-OE1 2.62Å; K93-E386 IonicContact NZ-OE2 3.6Å; K93-E386 PolarHBondContact NZ-OE2 3.49Å; N265-E386 WeakPolarHBondContact CA-O 3.43Å; N265-E386 WeakPolarHBondContact CB-O 3.47Å; N265-E386 PolarHBondContact ND2-O 3Å; A266-E386 PolarHBondContact N-O 3.41Å; Y382-E386 WeakPolarHBondContact CA-OE2 3.35Å; L383-E386 HydrophobicContact CB-CG 4.33Å; L383-E386 PolarHBondContact N-OE2 3.26Å; L383-E386 WeakPolarHBondContact O-CA 3.42Å; L383-E386 WeakPolarHBondContact O-CB 3.07Å; L383-E386 PolarHBondContact O-N 2.96Å; A384-E386 PolarHBondContact O-N 3.02Å
387I97.1Very high95.5Very high8 Ų840.4 Ų40.44%0.04119%0.186CC..EExtended strand (participates in β ladder)trans-94.1117.9173.4-51.2179.7000106.9A266 I268 L277 L354 F359 I361 A384A266-I387 HydrophobicContact CB-CG1 4.29Å; A266-I387 HydrophobicContact CB-CG2 4.43Å; A266-I387 CarbonylContact O-C 3.56Å; A266-I387 WeakPolarHBondContact O-CA 3.36Å; I268-I387 HydrophobicContact CD1-CG2 3.74Å; I268-I387 HydrophobicContact CG1-CG2 3.73Å; L277-I387 HydrophobicContact CD1-CD1 4.4Å; L277-I387 HydrophobicContact CD1-CG2 3.78Å; L354-I387 HydrophobicContact CD1-CB 4.15Å; L354-I387 HydrophobicContact CD1-CD1 4.19Å; L354-I387 HydrophobicContact CD2-CB 4.14Å; L354-I387 HydrophobicContact CD2-CG2 4.11Å; F359-I387 HydrophobicContact CE2-CD1 3.65Å; F359-I387 HydrophobicContact CZ-CD1 4.01Å; I361-I387 HydrophobicContact CD1-CD1 3.8Å; I361-I387 HydrophobicContact CG1-CD1 4.48Å; A384-I387 WeakPolarHBondContact O-CB 3.46Å; A384-I387 PolarHBondContact O-N 3.25Å
388F96.9Very high95.6Very high71 Ų7142.5 Ų42.531%0.31119%0.192SC..EExtended strand (participates in β ladder)trans-94.7111.5-179.6-62.8-21.1000110.5N265 A266 V267 I268 H391N265-F388 HydrophobicContact CB-CD2 4.08Å; N265-F388 HydrophobicContact CB-CE2 4Å; N265-F388 HydrophobicContact CB-CZ 4.42Å; N265-F388 WeakPolarHBondContact ND2-CE1 3.47Å; N265-F388 WeakPolarHBondContact ND2-CZ 3.05Å; A266-F388 PolarHBondContact O-N 3.34Å; V267-F388 CarbonylContact C-O 3.56Å; V267-F388 VanDerWaalsContact CA-O 3.27Å; V267-F388 WeakPolarHBondContact CA-O 3.48Å; V267-F388 HydrophobicContact CG1-CB 4.34Å; I268-F388 PolarHBondContact N-O 3.13Å; F388-H391 HydrophobicContact CB-CB 3.85Å
389W97.1Very high95.7Very high14 Ų1448.6 Ų48.65%0.05322%0.22CC..EExtended strand (participates in β ladder)trans-68.8142.1173.1-163.2-75000110.8I268 L275 L349 R351 L354 H391 P421 L423I268-W389 HydrophobicContact CB-CD2 4.41Å; I268-W389 HydrophobicContact CB-CE3 4.22Å; I268-W389 HydrophobicContact CD1-CE3 3.93Å; I268-W389 HydrophobicContact CD1-CZ3 4.01Å; I268-W389 HydrophobicContact CG2-CD2 4.12Å; I268-W389 HydrophobicContact CG2-CE3 4Å; I268-W389 HydrophobicContact CG2-CH2 4.27Å; I268-W389 HydrophobicContact CG2-CZ2 4.36Å; I268-W389 HydrophobicContact CG2-CZ3 4.08Å; I268-W389 CarbonylContact O-C 3.53Å; L275-W389 HydrophobicContact CD1-CZ2 4.44Å; L275-W389 HydrophobicContact CD2-CH2 3.78Å; L275-W389 HydrophobicContact CD2-CZ2 3.93Å; L349-W389 WeakPolarHBondContact O-CH2 3.45Å; R351-W389 HydrophobicContact CB-CD2 3.74Å; R351-W389 HydrophobicContact CB-CE3 4.19Å; R351-W389 HydrophobicContact CB-CG 3.87Å; R351-W389 HydrophobicContact CB-CZ2 4.47Å; R351-W389 HydrophobicContact CG-CB 4.03Å; R351-W389 HydrophobicContact CG-CD2 4.21Å; R351-W389 HydrophobicContact CG-CG 3.83Å; L354-W389 HydrophobicContact CD2-CB 4.32Å; L354-W389 HydrophobicContact CD2-CE3 3.92Å; W389-H391 VanDerWaalsContact C-N 3.31Å; W389-H391 PolarHBondContact O-N 2.87Å; W389-H391 PolarHBondContact O-ND1 2.69Å; W389-P421 PolarHBondContact NE1-O 2.88Å; W389-L423 WeakPolarHBondContact CZ2-O 3.42Å
390G96Very high95.5Very high4 Ų448 Ų484%0.04122%0.223CC..THydrogen-bonded Turntrans64.731.4179.100000113.9I268 E416 V417 T420I268-G390 WeakPolarHBondContact O-CA 3.5Å; I268-G390 PolarHBondContact O-N 3.44Å; G390-E416 CarbonylContact O-C 3.54Å; G390-V417 PolarHBondContact O-N 3.32Å; G390-T420 WeakPolarHBondContact CA-OG1 3.36Å
391H97.3Very high95.2Very high40 Ų4058.3 Ų58.319%0.18526%0.261CS..EExtended strand (participates in β ladder)trans-121.4152-179.1-78.966.1000112.1V267 A269 F388 W389 Y415V267-H391 HydrophobicContact CB-CB 4.01Å; V267-H391 WeakPolarHBondContact CB-O 3.36Å; V267-H391 HydrophobicContact CG1-CB 3.77Å; V267-H391 VanDerWaalsContact CG2-O 3.3Å; V267-H391 WeakPolarHBondContact CG2-O 3.34Å; A269-H391 WeakPolarHBondContact CB-O 3.46Å; F388-H391 HydrophobicContact CB-CB 3.85Å; W389-H391 VanDerWaalsContact C-N 3.31Å; W389-H391 PolarHBondContact O-N 2.87Å; W389-H391 PolarHBondContact O-ND1 2.69Å; H391-Y415 WeakPolarHBondContact CA-O 3.47Å
392R96.8Very high95Very high112 Ų11265.8 Ų65.842%0.42330%0.301SS..EExtended strand (participates in β ladder)trans-130.8148.9171.6-72.4177.275.4-171.13.5110.1A269 T414 Y415 V417A269-R392 HydrophobicContact CB-CG 4.03Å; R392-T414 CarbonylContact O-C 3.6Å; R392-T414 WeakPolarHBondContact O-CA 3.42Å; R392-Y415 HydrophobicContact CB-CE1 3.9Å; R392-Y415 HydrophobicContact CB-CE2 3.91Å; R392-Y415 PolarHBondContact N-O 3.09Å; R392-Y415 WeakPolarHBondContact O-CD1 3.3Å; R392-Y415 PolarHBondContact O-N 2.96Å; R392-V417 HydrophobicContact CB-CG2 4.1Å; R392-V417 HydrophobicContact CG-CG2 3.79Å
393F97.6Very high94.7Very high17 Ų1774.6 Ų74.68%0.07533%0.334CS..EExtended strand (participates in β ladder)trans-71.9141.5175.6-66.6-73.5000112V267 M278 R280 V335 N413 T414 Y415V267-F393 HydrophobicContact CG1-CE1 4.4Å; V267-F393 HydrophobicContact CG1-CE2 4.38Å; V267-F393 HydrophobicContact CG1-CZ 4.14Å; V267-F393 HydrophobicContact CG2-CD2 4.04Å; V267-F393 HydrophobicContact CG2-CE2 3.72Å; V267-F393 HydrophobicContact CG2-CZ 4.27Å; M278-F393 HydrophobicContact CB-CE2 4.35Å; R280-F393 HydrophobicContact CB-CE1 4.49Å; R280-F393 HydrophobicContact CB-CE2 4.42Å; R280-F393 HydrophobicContact CB-CZ 4.38Å; V335-F393 HydrophobicContact CG1-CD2 4.07Å; V335-F393 HydrophobicContact CG1-CE2 4.31Å; V335-F393 HydrophobicContact CG2-CD2 4.09Å; F393-N413 WeakPolarHBondContact CA-O 3.31Å; F393-T414 HydrophobicContact CD1-CG2 3.54Å; F393-T414 HydrophobicContact CE1-CG2 3.73Å; F393-T414 HydrophobicContact CG-CG2 4.31Å; F393-Y415 WeakPolarHBondContact O-CE1 3.03Å
394E96.4Very high94.5Very high55 Ų5582.1 Ų82.126%0.25736%0.363SS..PPolyproline II helixtrans-62.6140.6171.2-71.3-172.516800111.3R280 V396 R410 N413 Y415R280-E394 PolarHBondContact NH1-O 3.5Å; R280-E394 VanDerWaalsContact NH1-O 3.15Å; R280-E394 PolarHBondContact NH2-O 2.62Å; E394-V396 PolarHBondContact O-N 2.94Å; E394-R410 HydrophobicContact CB-CB 4.42Å; E394-R410 WeakPolarHBondContact OE2-CG 3.21Å; E394-N413 HydrophobicContact CB-CB 4.11Å; E394-N413 HydrophobicContact CG-CB 3.76Å; E394-N413 PolarHBondContact N-O 3.48Å; E394-N413 WeakPolarHBondContact OE2-CB 3.06Å; E394-N413 PolarHBondContact OE2-ND2 2.62Å; E394-Y415 HydrophobicContact CG-CD1 4.1Å
395P94.8Very high94.4Very high99 Ų9985.6 Ų85.664%0.64338%0.377SS*.PPolyproline II helixtrans-59.4133.1169.3-2233.7000111.3
396V94.9Very high94.5Very high6 Ų680.9 Ų80.94%0.03637%0.365CS..  trans-110.4-19.2179-63.20000113.2P333 E394 V406 D407 R410P333-V396 HydrophobicContact CB-CG2 3.89Å; P333-V396 HydrophobicContact CG-CG2 3.93Å; E394-V396 PolarHBondContact O-N 2.94Å; V396-V406 HydrophobicContact CB-CG1 4.28Å; V396-V406 HydrophobicContact CG2-CG1 4.13Å; V396-V406 CarbonylContact O-C 3.52Å; V396-V406 WeakPolarHBondContact O-CA 3.46Å; V396-D407 PolarHBondContact O-N 2.93Å; V396-R410 HydrophobicContact CG1-CB 4.1Å
397I93.8Very high94.4Very high77 Ų7781 Ų8140%0.39537%0.367SS..EExtended strand (participates in β ladder)trans-93.4130.9-178-48.5177.7000108.1S332 Y404 K405 V406S332-I397 WeakPolarHBondContact OG-CD1 3.43Å; I397-Y404 HydrophobicContact CG2-CD1 4.26Å; I397-K405 WeakPolarHBondContact CA-O 3.3Å; I397-V406 HydrophobicContact CG1-CG2 4.47Å
398Y92.8Very high94.2Very high114 Ų11484.1 Ų84.145%0.44738%0.378SS..EExtended strand (participates in β ladder)trans-139.9148.1173.959.5-77.2000109.9K405 D407Y398-K405 HydrophobicContact CD1-CB 4.2Å; Y398-K405 WeakPolarHBondContact CD1-O 3.36Å; Y398-K405 HydrophobicContact CD2-CB 4.09Å; Y398-K405 HydrophobicContact CE1-CB 3.65Å; Y398-K405 HydrophobicContact CE2-CB 3.58Å; Y398-K405 HydrophobicContact CE2-CD 3.8Å; Y398-K405 HydrophobicContact CE2-CG 4.29Å; Y398-K405 HydrophobicContact CG-CB 4.39Å; Y398-K405 PolarHBondContact N-O 3.45Å; Y398-K405 PolarHBondContact O-N 2.95Å; Y398-D407 HydrophobicContact CE1-CB 3.95Å
399E93.4Very high94.1Very high133 Ų13384.5 Ų84.562%0.62140%0.395SS*.EExtended strand (participates in β ladder)trans-88130.1176.7-170.7169.8-172.800109.7Y404E399-Y404 HydrophobicContact CB-CD1 4.14Å; E399-Y404 HydrophobicContact CB-CE1 4Å; E399-Y404 HydrophobicContact CG-CD1 4.4Å; E399-Y404 HydrophobicContact CG-CE1 4.05Å
400D90.3Very high94Very high58 Ų5889.9 Ų89.931%0.3142%0.415SS..EExtended strand (participates in β ladder)trans-128.3103172.817929.3000109.6N402 R403 K405D400-N402 PolarHBondContact O-N 3.34Å; D400-R403 PolarHBondContact N-O 3.41Å; D400-R403 PolarHBondContact O-N 2.85Å; D400-R403 VanDerWaalsContact O-N 3.1Å; D400-K405 HydrophobicContact CB-CD 3.87Å; D400-K405 HydrophobicContact CB-CG 4.39Å; D400-K405 WeakPolarHBondContact OD2-CE 3.33Å; D400-K405 IonicContact OD2-NZ 3.55Å; D400-K405 PolarHBondContact OD2-NZ 2.9Å
401R90.9Very high94Very high218 Ų21889.7 Ų89.782%0.82341%0.413SS*.THydrogen-bonded Turntrans59.3-93.2-175.6-52.5175.1-170-170.3-1.4112
402N92.3Very high93.9Very high157 Ų15789.8 Ų89.884%0.8441%0.414SS*.THydrogen-bonded Turntrans-120.515-176.9-66.938.1000112.2D400D400-N402 PolarHBondContact O-N 3.34Å
403R90.6Very high94Very high187 Ų18787.7 Ų87.771%0.70641%0.411SS*.EExtended strand (participates in β ladder)trans-139.8137.4179.8-68.3-172.8-69-168.1-3.6111.8D400D400-R403 PolarHBondContact N-O 3.41Å; D400-R403 PolarHBondContact O-N 2.85Å; D400-R403 VanDerWaalsContact O-N 3.1Å
404Y92.7Very high94Very high165 Ų16588.7 Ų88.765%0.64742%0.418SS*.EExtended strand (participates in β ladder)trans-73.2134165.8-61.5-67.2000110.5I397 E399I397-Y404 HydrophobicContact CG2-CD1 4.26Å; E399-Y404 HydrophobicContact CB-CD1 4.14Å; E399-Y404 HydrophobicContact CB-CE1 4Å; E399-Y404 HydrophobicContact CG-CD1 4.4Å; E399-Y404 HydrophobicContact CG-CE1 4.05Å
405K92.3Very high94Very high79 Ų7990.3 Ų90.334%0.34342%0.422SS..EExtended strand (participates in β ladder)trans-116.6151.8173.5-72-178.5172.6177.20109.6I397 Y398 D400I397-K405 WeakPolarHBondContact CA-O 3.3Å; Y398-K405 HydrophobicContact CD1-CB 4.2Å; Y398-K405 WeakPolarHBondContact CD1-O 3.36Å; Y398-K405 HydrophobicContact CD2-CB 4.09Å; Y398-K405 HydrophobicContact CE1-CB 3.65Å; Y398-K405 HydrophobicContact CE2-CB 3.58Å; Y398-K405 HydrophobicContact CE2-CD 3.8Å; Y398-K405 HydrophobicContact CE2-CG 4.29Å; Y398-K405 HydrophobicContact CG-CB 4.39Å; Y398-K405 PolarHBondContact N-O 3.45Å; Y398-K405 PolarHBondContact O-N 2.95Å; D400-K405 HydrophobicContact CB-CD 3.87Å; D400-K405 HydrophobicContact CB-CG 4.39Å; D400-K405 WeakPolarHBondContact OD2-CE 3.33Å; D400-K405 IonicContact OD2-NZ 3.55Å; D400-K405 PolarHBondContact OD2-NZ 2.9Å
406V93.9Very high94Very high48 Ų4891 Ų9129%0.29142%0.417SS..EExtended strand (participates in β ladder)trans-123.4115.6-178.5-178.50000109.3P333 V396 I397 Y408P333-V406 HydrophobicContact CG-CG1 3.71Å; V396-V406 HydrophobicContact CB-CG1 4.28Å; V396-V406 HydrophobicContact CG2-CG1 4.13Å; V396-V406 CarbonylContact O-C 3.52Å; V396-V406 WeakPolarHBondContact O-CA 3.46Å; I397-V406 HydrophobicContact CG1-CG2 4.47Å; V406-Y408 HydrophobicContact CB-CD2 4.43Å; V406-Y408 HydrophobicContact CB-CE2 4.19Å; V406-Y408 HydrophobicContact CG1-CD2 3.89Å; V406-Y408 HydrophobicContact CG1-CE2 3.67Å; V406-Y408 HydrophobicContact CG1-CG 4.48Å; V406-Y408 PolarHBondContact O-N 2.99Å
407D94Very high94Very high40 Ų4092 Ų9221%0.21442%0.423CS..  trans-85.196174.1-175.6-2.1000110.3V396 Y398 A409 R410V396-D407 PolarHBondContact O-N 2.93Å; Y398-D407 HydrophobicContact CE1-CB 3.95Å; D407-A409 PolarHBondContact O-N 2.03Å; D407-A409 WeakPolarHBondContact OD1-CB 3.43Å; D407-A409 PolarHBondContact OD1-N 3.32Å; D407-R410 PolarHBondContact O-N 3.21Å; D407-R410 IonicContact OD2-CZ 2.78Å; D407-R410 IonicContact OD2-NE 2.84Å; D407-R410 PolarHBondContact OD2-NE 3.38Å; D407-R410 IonicContact OD2-NH2 2.69Å
408Y93.3Very high93.8Very high72 Ų7294.3 Ų94.328%0.28244%0.441SS..G310 helixtrans-69.4-14.2177.1-85.9-78000114.1N283 L284 P333 V406 R410 F411N283-Y408 PolarHBondContact O-OH 3.41Å; L284-Y408 HydrophobicContact CD2-CD1 3.87Å; L284-Y408 HydrophobicContact CD2-CD2 4.4Å; L284-Y408 HydrophobicContact CD2-CE1 3.82Å; L284-Y408 HydrophobicContact CD2-CE2 4.33Å; L284-Y408 HydrophobicContact CD2-CG 4.18Å; P333-Y408 HydrophobicContact CG-CE1 3.91Å; V406-Y408 HydrophobicContact CB-CD2 4.43Å; V406-Y408 HydrophobicContact CB-CE2 4.19Å; V406-Y408 HydrophobicContact CG1-CD2 3.89Å; V406-Y408 HydrophobicContact CG1-CE2 3.67Å; V406-Y408 HydrophobicContact CG1-CG 4.48Å; V406-Y408 PolarHBondContact O-N 2.99Å; Y408-R410 PolarHBondContact O-N 3.03Å; Y408-F411 HydrophobicContact CD1-CB 3.97Å; Y408-F411 AromaticContact CD1-CD2 3.83Å; Y408-F411 HydrophobicContact CD1-CD2 3.83Å; Y408-F411 HydrophobicContact CD1-CG 4.03Å; Y408-F411 AromaticContact CE1-CD2 3.71Å; Y408-F411 HydrophobicContact CE1-CD2 3.71Å; Y408-F411 HydrophobicContact CE1-CE2 4.15Å; Y408-F411 HydrophobicContact CE1-CG 4.35Å; Y408-F411 WeakPolarHBondContact O-CB 3.5Å; Y408-F411 PolarHBondContact O-N 2.76Å
409A94.2Very high93.7Very high79 Ų7993.5 Ų93.565%0.65345%0.452SS*.G310 helixtrans-65.6-33173.600000111.3D407D407-A409 PolarHBondContact O-N 2.03Å; D407-A409 WeakPolarHBondContact OD1-CB 3.43Å; D407-A409 PolarHBondContact OD1-N 3.32Å
410R94.6Very high93.7Very high127 Ų12787.3 Ų87.348%0.47942%0.423SS..G310 helixtrans-87.80176.3-57.4-178.6-146.4-150.6-0.4114E394 V396 D407 Y408 H412 N413E394-R410 HydrophobicContact CB-CB 4.42Å; E394-R410 WeakPolarHBondContact OE2-CG 3.21Å; V396-R410 HydrophobicContact CG1-CB 4.1Å; D407-R410 PolarHBondContact O-N 3.21Å; D407-R410 IonicContact OD2-CZ 2.78Å; D407-R410 IonicContact OD2-NE 2.84Å; D407-R410 PolarHBondContact OD2-NE 3.38Å; D407-R410 IonicContact OD2-NH2 2.69Å; Y408-R410 PolarHBondContact O-N 3.03Å; R410-H412 PolarHBondContact O-N 3.4Å; R410-N413 PolarHBondContact O-N 2.84Å
411F96.2Very high93.7Very high1 Ų186.3 Ų86.30%0.00442%0.42CS..THydrogen-bonded Turntrans-55.5-38.9-175.4178.2-89.7000113.1M261 R280 P333 Y408M261-F411 HydrophobicContact CB-CE1 3.86Å; M261-F411 HydrophobicContact CB-CZ 3.9Å; M261-F411 HydrophobicContact CE-CD1 4.34Å; M261-F411 HydrophobicContact CE-CE1 4.47Å; R280-F411 HydrophobicContact CB-CZ 4.36Å; R280-F411 WeakPolarHBondContact CD-O 3.16Å; R280-F411 HydrophobicContact CG-CD2 4.21Å; R280-F411 HydrophobicContact CG-CE2 3.61Å; R280-F411 HydrophobicContact CG-CZ 3.82Å; R280-F411 PolarHBondContact NH1-O 2.9Å; P333-F411 HydrophobicContact CB-CD2 3.88Å; P333-F411 HydrophobicContact CB-CE2 3.75Å; P333-F411 HydrophobicContact CG-CD2 3.81Å; P333-F411 HydrophobicContact CG-CE2 3.95Å; Y408-F411 HydrophobicContact CD1-CB 3.97Å; Y408-F411 AromaticContact CD1-CD2 3.83Å; Y408-F411 HydrophobicContact CD1-CD2 3.83Å; Y408-F411 HydrophobicContact CD1-CG 4.03Å; Y408-F411 AromaticContact CE1-CD2 3.71Å; Y408-F411 HydrophobicContact CE1-CD2 3.71Å; Y408-F411 HydrophobicContact CE1-CE2 4.15Å; Y408-F411 HydrophobicContact CE1-CG 4.35Å; Y408-F411 WeakPolarHBondContact O-CB 3.5Å; Y408-F411 PolarHBondContact O-N 2.76Å
412H96.9Very high93.8Very high42 Ų4280.7 Ų80.719%0.19440%0.403CS..THydrogen-bonded Turntrans-91.6-8.2179.1-59.9-57.4000114.5M261 F262 K264 R410M261-H412 VanDerWaalsContact CE-NE2 3.28Å; M261-H412 WeakPolarHBondContact CE-NE2 3.41Å; F262-H412 PolarHBondContact O-CE1 2.8Å; K264-H412 HydrophobicContact CD-CB 4.2Å; K264-H412 HydrophobicContact CG-CB 4.43Å; K264-H412 PolarHBondContact N-ND1 3.24Å; R410-H412 PolarHBondContact O-N 3.4Å
413N97.2Very high93.8Very high68 Ų6877 Ų7736%0.36438%0.383SS..  trans-75.9144.3-170.4-68.60.8000111.9F393 E394 R410F393-N413 WeakPolarHBondContact CA-O 3.31Å; E394-N413 HydrophobicContact CB-CB 4.11Å; E394-N413 HydrophobicContact CG-CB 3.76Å; E394-N413 PolarHBondContact N-O 3.48Å; E394-N413 WeakPolarHBondContact OE2-CB 3.06Å; E394-N413 PolarHBondContact OE2-ND2 2.62Å; R410-N413 PolarHBondContact O-N 2.84Å
414T97.4Very high94Very high37 Ų3768.3 Ų68.323%0.22735%0.351CS..EExtended strand (participates in β ladder)trans-136.3141.8178.555.10000110.1V267 R392 F393V267-T414 HydrophobicContact CG1-CG2 3.61Å; R392-T414 CarbonylContact O-C 3.6Å; R392-T414 WeakPolarHBondContact O-CA 3.42Å; F393-T414 HydrophobicContact CD1-CG2 3.54Å; F393-T414 HydrophobicContact CE1-CG2 3.73Å; F393-T414 HydrophobicContact CG-CG2 4.31Å
415Y96.5Very high94Very high89 Ų8960.7 Ų60.735%0.34932%0.322SS..EExtended strand (participates in β ladder)trans-112.3149.4171.961.8-88.2000110.5H391 R392 F393 E394 V417H391-Y415 WeakPolarHBondContact CA-O 3.47Å; R392-Y415 HydrophobicContact CB-CE1 3.9Å; R392-Y415 HydrophobicContact CB-CE2 3.91Å; R392-Y415 PolarHBondContact N-O 3.09Å; R392-Y415 WeakPolarHBondContact O-CD1 3.3Å; R392-Y415 PolarHBondContact O-N 2.96Å; F393-Y415 WeakPolarHBondContact O-CE1 3.03Å; E394-Y415 HydrophobicContact CG-CD1 4.1Å; Y415-V417 HydrophobicContact CD2-CG2 3.89Å; Y415-V417 HydrophobicContact CE2-CG2 3.62Å
416E95.8Very high94.1Very high115 Ų11560.9 Ų60.954%0.53732%0.323SS..EExtended strand (participates in β ladder)trans-77.4145.4177.8-169.7173.2-163.800111.3G390G390-E416 CarbonylContact O-C 3.54Å
417V94.9Very high94.1Very high26 Ų2662.3 Ų62.316%0.15833%0.326CS..  trans-128.888-178.2-178.10000107.7G390 R392 Y415 S419 T420G390-V417 PolarHBondContact O-N 3.32Å; R392-V417 HydrophobicContact CB-CG2 4.1Å; R392-V417 HydrophobicContact CG-CG2 3.79Å; Y415-V417 HydrophobicContact CD2-CG2 3.89Å; Y415-V417 HydrophobicContact CE2-CG2 3.62Å; V417-S419 WeakPolarHBondContact CG1-OG 3.37Å; V417-S419 PolarHBondContact O-N 3.18Å; V417-S419 VanDerWaalsContact O-N 3.1Å; V417-T420 WeakPolarHBondContact O-CB 3.28Å; V417-T420 PolarHBondContact O-N 3.14Å; V417-T420 PolarHBondContact O-OG1 2.87Å
418T90.3Very high93.9Very high126 Ų12662.3 Ų62.377%0.77333%0.326SS*.THydrogen-bonded Turntrans-61.5-16.8-175.254.20000114.5T420T418-T420 PolarHBondContact O-N 3.13Å
419S90.8Very high93.8Very high96 Ų9662.1 Ų62.167%0.67133%0.33SS*.THydrogen-bonded Turntrans-76.6-5.4172.956.90000114.2V417 P421V417-S419 WeakPolarHBondContact CG1-OG 3.37Å; V417-S419 PolarHBondContact O-N 3.18Å; V417-S419 VanDerWaalsContact O-N 3.1Å; S419-P421 WeakPolarHBondContact O-CD 3.25Å
420T91.9Very high93.7Very high4 Ų462.4 Ų62.43%0.02532%0.318CS..SBendtrans-74.4121.2179-49.10000110.4A269 L275 G390 V417 T418 H422A269-T420 HydrophobicContact CB-CG2 4.44Å; L275-T420 HydrophobicContact CD1-CG2 4.39Å; G390-T420 WeakPolarHBondContact CA-OG1 3.36Å; V417-T420 WeakPolarHBondContact O-CB 3.28Å; V417-T420 PolarHBondContact O-N 3.14Å; V417-T420 PolarHBondContact O-OG1 2.87Å; T418-T420 PolarHBondContact O-N 3.13Å; T420-H422 PolarHBondContact O-CE1 3.11Å; T420-H422 PolarHBondContact O-ND1 3.36Å
421P91.9Very high93.4Very high37 Ų3758.1 Ų58.124%0.2431%0.309CS..  trans-56.5153.1175.3-23.333.6000112.1L270 W389 S419 L428L270-P421 VanDerWaalsContact CD1-CD 3.42Å; L270-P421 HydrophobicContact CD1-CG 3.98Å; W389-P421 PolarHBondContact NE1-O 2.88Å; S419-P421 WeakPolarHBondContact O-CD 3.25Å; P421-L428 HydrophobicContact CB-CD1 4.28Å; P421-L428 HydrophobicContact CB-CD2 3.77Å; P421-L428 HydrophobicContact CG-CD1 4.34Å; P421-L428 HydrophobicContact CG-CD2 3.82Å
422H92.2Very high92.9Very high100 Ų10060.9 Ų60.946%0.46333%0.332SS..SBendtrans-97.9-3.4175.6-59.5-13.6000113.1R351 T420R351-H422 HydrophobicContact CB-CB 3.96Å; R351-H422 PolarHBondContact N-O 3.27Å; R351-H422 VanDerWaalsContact N-O 3.07Å; R351-H422 PolarHBondContact NH1-CE1 3.36Å; R351-H422 PolarHBondContact NH1-NE2 3.24Å; T420-H422 PolarHBondContact O-CE1 3.11Å; T420-H422 PolarHBondContact O-ND1 3.36Å
423L92.4Very high92.4Very high79 Ų7962 Ų6241%0.41435%0.345SS..SBendtrans-72.1154.8175.3-62.2172.5000111.2W389 E427 L428W389-L423 WeakPolarHBondContact CZ2-O 3.42Å; L423-E427 HydrophobicContact CB-CB 4.04Å; L423-E427 HydrophobicContact CD2-CB 4.43Å; L423-L428 HydrophobicContact CB-CD2 4.3Å; L423-L428 HydrophobicContact CB-CG 4.21Å; L423-L428 HydrophobicContact CD1-CD2 4.22Å
424S94.4Very high91.7Very high5 Ų566 Ų664%0.03536%0.355CS..  trans-65.7159.8169.762.50000112.3L349 K426 E427 L428L349-S424 WeakPolarHBondContact O-CA 3.47Å; L349-S424 WeakPolarHBondContact O-CB 3.49Å; S424-K426 PolarHBondContact O-N 3.47Å; S424-E427 WeakPolarHBondContact CB-OE2 3.48Å; S424-E427 PolarHBondContact N-OE2 3.37Å; S424-E427 PolarHBondContact O-N 2.75Å; S424-E427 VanDerWaalsContact OG-CD 3.29Å; S424-E427 VanDerWaalsContact OG-CG 3.25Å; S424-E427 WeakPolarHBondContact OG-CG 3.48Å; S424-E427 PolarHBondContact OG-N 3.08Å; S424-E427 PolarHBondContact OG-OE2 2.92Å; S424-L428 WeakPolarHBondContact O-CG 3.3Å; S424-L428 PolarHBondContact O-N 3.05Å; S424-L428 VanDerWaalsContact O-N 3.09Å
425A93.4Very high90.8Very high5 Ų567.7 Ų67.74%0.04137%0.373CS..Hα-helixtrans-57.7-39.817500000111.6L275 I340 Y347 E427 L428 D429L275-A425 HydrophobicContact CB-CB 4.43Å; L275-A425 HydrophobicContact CD2-CB 4.21Å; I340-A425 HydrophobicContact CB-CB 4.14Å; I340-A425 HydrophobicContact CG2-CB 3.62Å; I340-A425 VanDerWaalsContact O-CB 3.29Å; I340-A425 WeakPolarHBondContact O-CB 3.21Å; Y347-A425 HydrophobicContact CD2-CB 3.79Å; Y347-A425 HydrophobicContact CE2-CB 4.16Å; Y347-A425 PolarHBondContact O-N 2.96Å; A425-E427 PolarHBondContact O-N 3.38Å; A425-L428 WeakPolarHBondContact O-CB 3.47Å; A425-L428 PolarHBondContact O-N 2.71Å; A425-D429 PolarHBondContact O-N 3.42Å
426K94Very high89.7Confident83 Ų8368.2 Ų68.236%0.36139%0.389SS..Hα-helixtrans-56.1-48.4173.3-178.6178.4169.5-1750113.5Y347 T348 S424 L428 D429 E430Y347-K426 HydrophobicContact CD1-CB 3.8Å; Y347-K426 HydrophobicContact CD1-CD 4.41Å; Y347-K426 HydrophobicContact CD1-CG 4.23Å; Y347-K426 HydrophobicContact CD2-CB 4.35Å; Y347-K426 HydrophobicContact CE1-CB 3.53Å; Y347-K426 HydrophobicContact CE1-CD 4.12Å; Y347-K426 HydrophobicContact CE1-CG 3.65Å; Y347-K426 HydrophobicContact CE2-CB 4.13Å; Y347-K426 HydrophobicContact CG-CB 4.2Å; Y347-K426 VanDerWaalsContact CZ-CA 3.44Å; Y347-K426 WeakPolarHBondContact O-CB 3.22Å; Y347-K426 PolarHBondContact O-N 3.33Å; T348-K426 HydrophobicContact CG2-CD 4Å; S424-K426 PolarHBondContact O-N 3.47Å; K426-L428 VanDerWaalsContact C-N 3.28Å; K426-L428 PolarHBondContact O-N 2.9Å; K426-D429 PolarHBondContact O-N 2.94Å; K426-E430 WeakPolarHBondContact CE-OE1 3.16Å; K426-E430 IonicContact NZ-OE1 3.9Å; K426-E430 WeakPolarHBondContact O-CB 3.48Å; K426-E430 WeakPolarHBondContact O-CG 3.49Å; K426-E430 PolarHBondContact O-N 3.07Å
427E93.4Very high88.3Confident77 Ų7766.8 Ų66.836%0.3639%0.392SS..Hα-helixtrans-67.6-31.2-179.7-72.1164.912800112.2L423 S424 A425 A431L423-E427 HydrophobicContact CB-CB 4.04Å; L423-E427 HydrophobicContact CD2-CB 4.43Å; S424-E427 WeakPolarHBondContact CB-OE2 3.48Å; S424-E427 PolarHBondContact N-OE2 3.37Å; S424-E427 PolarHBondContact O-N 2.75Å; S424-E427 VanDerWaalsContact OG-CD 3.29Å; S424-E427 VanDerWaalsContact OG-CG 3.25Å; S424-E427 WeakPolarHBondContact OG-CG 3.48Å; S424-E427 PolarHBondContact OG-N 3.08Å; S424-E427 PolarHBondContact OG-OE2 2.92Å; A425-E427 PolarHBondContact O-N 3.38Å; E427-A431 VanDerWaalsContact O-CB 3.27Å; E427-A431 WeakPolarHBondContact O-CB 3.36Å; E427-A431 PolarHBondContact O-N 3.13Å
428L91.1Very high86.2Confident41 Ų4170.1 Ų70.122%0.21541%0.412CS..Hα-helixtrans-67.6-45.9173.3-68.5170000111.6P421 L423 S424 A425 K426 A431 A432P421-L428 HydrophobicContact CB-CD1 4.28Å; P421-L428 HydrophobicContact CB-CD2 3.77Å; P421-L428 HydrophobicContact CG-CD1 4.34Å; P421-L428 HydrophobicContact CG-CD2 3.82Å; L423-L428 HydrophobicContact CB-CD2 4.3Å; L423-L428 HydrophobicContact CB-CG 4.21Å; L423-L428 HydrophobicContact CD1-CD2 4.22Å; S424-L428 WeakPolarHBondContact O-CG 3.3Å; S424-L428 PolarHBondContact O-N 3.05Å; S424-L428 VanDerWaalsContact O-N 3.09Å; A425-L428 WeakPolarHBondContact O-CB 3.47Å; A425-L428 PolarHBondContact O-N 2.71Å; K426-L428 VanDerWaalsContact C-N 3.28Å; K426-L428 PolarHBondContact O-N 2.9Å; L428-A431 PolarHBondContact O-N 3.36Å; L428-A431 VanDerWaalsContact O-N 3.17Å; L428-A432 WeakPolarHBondContact O-CB 3.45Å; L428-A432 PolarHBondContact O-N 2.95Å
429D91.3Very high84.3Confident67 Ų6769.6 Ų69.636%0.35841%0.411SS..Hα-helixtrans-60-44.4173.1-9521.8000111.9K342 Y347 A425 K426 A431 A432 S433K342-D429 WeakPolarHBondContact CE-OD2 3.35Å; K342-D429 IonicContact NZ-OD2 3.47Å; K342-D429 PolarHBondContact NZ-OD2 2.89Å; Y347-D429 WeakPolarHBondContact OH-CB 3.27Å; Y347-D429 PolarHBondContact OH-OD2 3.18Å; A425-D429 PolarHBondContact O-N 3.42Å; K426-D429 PolarHBondContact O-N 2.94Å; D429-A431 VanDerWaalsContact C-N 3.3Å; D429-A431 PolarHBondContact O-N 3.45Å; D429-A432 PolarHBondContact O-N 2.89Å; D429-S433 WeakPolarHBondContact O-CB 3.11Å; D429-S433 PolarHBondContact O-N 2.96Å; D429-S433 PolarHBondContact O-OG 3.35Å
430E91.3Very high82Confident86 Ų8670.2 Ų70.240%0.40242%0.416SS..Hα-helixtrans-66.1-30.3175.5-74.5179.2-171.600112.2K426 S433 R434K426-E430 WeakPolarHBondContact CE-OE1 3.16Å; K426-E430 IonicContact NZ-OE1 3.9Å; K426-E430 WeakPolarHBondContact O-CB 3.48Å; K426-E430 WeakPolarHBondContact O-CG 3.49Å; K426-E430 PolarHBondContact O-N 3.07Å; E430-S433 WeakPolarHBondContact CA-OG 3.41Å; E430-S433 PolarHBondContact O-OG 2.94Å; E430-R434 WeakPolarHBondContact O-CB 3.46Å; E430-R434 VanDerWaalsContact O-CG 3.32Å; E430-R434 WeakPolarHBondContact O-CG 3.48Å; E430-R434 PolarHBondContact O-N 2.64Å; E430-R434 PolarHBondContact O-NE 3.17Å
431A88.2Confident79.8Confident37 Ų3776.2 Ų76.231%0.30646%0.455SS..Hα-helixtrans-75.1-42.9173.500000112.2E427 L428 D429 R434 A435E427-A431 VanDerWaalsContact O-CB 3.27Å; E427-A431 WeakPolarHBondContact O-CB 3.36Å; E427-A431 PolarHBondContact O-N 3.13Å; L428-A431 PolarHBondContact O-N 3.36Å; L428-A431 VanDerWaalsContact O-N 3.17Å; D429-A431 VanDerWaalsContact C-N 3.3Å; D429-A431 PolarHBondContact O-N 3.45Å; A431-R434 PolarHBondContact O-N 2.67Å; A431-A435 WeakPolarHBondContact O-CB 3.4Å; A431-A435 PolarHBondContact O-N 3.07Å
432A86.4Confident77.6Confident59 Ų5979.5 Ų79.549%0.48849%0.485SS..Hα-helixtrans-66.3-40.3178.600000112.6L428 D429 A435 S436L428-A432 WeakPolarHBondContact O-CB 3.45Å; L428-A432 PolarHBondContact O-N 2.95Å; D429-A432 PolarHBondContact O-N 2.89Å; A432-A435 PolarHBondContact O-N 3.19Å; A432-S436 PolarHBondContact O-N 3.15Å; A432-S436 PolarHBondContact O-OG 3Å
433S84.9Confident75.1Confident66 Ų6680.6 Ų80.646%0.46250%0.504SS..Hα-helixtrans-65.5-38.4173.151.50000112.3D429 E430 S436 S437D429-S433 WeakPolarHBondContact O-CB 3.11Å; D429-S433 PolarHBondContact O-N 2.96Å; D429-S433 PolarHBondContact O-OG 3.35Å; E430-S433 WeakPolarHBondContact CA-OG 3.41Å; E430-S433 PolarHBondContact O-OG 2.94Å; S433-S436 WeakPolarHBondContact CA-OG 3.46Å; S433-S436 PolarHBondContact O-OG 3.24Å; S433-S436 VanDerWaalsContact O-OG 3.09Å; S433-S437 WeakPolarHBondContact O-CB 3.33Å; S433-S437 PolarHBondContact O-N 3.2Å; S433-S437 PolarHBondContact O-OG 3.11Å
434R83.5Confident72.4Confident151 Ų15180.9 Ų80.957%0.5752%0.518SS*.Hα-helixtrans-64.2-45.5171.5-80.2177.2-71.6149.2-5.5112.4E430 A431 S436 S437 T438E430-R434 WeakPolarHBondContact O-CB 3.46Å; E430-R434 VanDerWaalsContact O-CG 3.32Å; E430-R434 WeakPolarHBondContact O-CG 3.48Å; E430-R434 PolarHBondContact O-N 2.64Å; E430-R434 PolarHBondContact O-NE 3.17Å; A431-R434 PolarHBondContact O-N 2.67Å; R434-S436 VanDerWaalsContact C-N 3.34Å; R434-S436 PolarHBondContact O-N 3.01Å; R434-S437 WeakPolarHBondContact CA-OG 3.35Å; R434-S437 PolarHBondContact O-N 2.86Å; R434-S437 VanDerWaalsContact O-N 3.15Å; R434-S437 PolarHBondContact O-OG 2.81Å; R434-T438 PolarHBondContact O-N 3.12Å; R434-T438 PolarHBondContact O-OG1 3.08Å
435A78.8Confident69.5Low73 Ų7389 Ų8960%0.60356%0.555SS**Hα-helixtrans-59.8-42.2178.500000112.4A431 A432 S437A431-A435 WeakPolarHBondContact O-CB 3.4Å; A431-A435 PolarHBondContact O-N 3.07Å; A432-A435 PolarHBondContact O-N 3.19Å; A435-S437 VanDerWaalsContact C-N 3.35Å
436S73.4Confident66.5Low99 Ų99100.4 Ų100.469%0.69260%0.597SS**Hα-helixtrans-73.2-22.3176.248.30000114.1A432 S433 R434 T438A432-S436 PolarHBondContact O-N 3.15Å; A432-S436 PolarHBondContact O-OG 3Å; S433-S436 WeakPolarHBondContact CA-OG 3.46Å; S433-S436 PolarHBondContact O-OG 3.24Å; S433-S436 VanDerWaalsContact O-OG 3.09Å; R434-S436 VanDerWaalsContact C-N 3.34Å; R434-S436 PolarHBondContact O-N 3.01Å; S436-T438 VanDerWaalsContact C-N 3.34Å
437S66Low63.6Low86 Ų86101.6 Ų101.660%0.60162%0.616SS**THydrogen-bonded Turntrans-80.9-6.2176.973.80000115.2S433 R434 A435 P439S433-S437 WeakPolarHBondContact O-CB 3.33Å; S433-S437 PolarHBondContact O-N 3.2Å; S433-S437 PolarHBondContact O-OG 3.11Å; R434-S437 WeakPolarHBondContact CA-OG 3.35Å; R434-S437 PolarHBondContact O-N 2.86Å; R434-S437 VanDerWaalsContact O-N 3.15Å; R434-S437 PolarHBondContact O-OG 2.81Å; A435-S437 VanDerWaalsContact C-N 3.35Å; S437-P439 WeakPolarHBondContact O-CD 3.19Å
438T51.5Low60.7Low95 Ų95103.7 Ų103.758%0.58363%0.634SS**SBendtrans-87.4114.2-178.2-50.90000110.2R434 S436 S440R434-T438 PolarHBondContact O-N 3.12Å; R434-T438 PolarHBondContact O-OG1 3.08Å; S436-T438 VanDerWaalsContact C-N 3.34Å; T438-S440 PolarHBondContact O-N 3.16Å
439P49Very low58Low115 Ų115109.3 Ų109.375%0.74766%0.659SS**  trans-71.4115.417928.2-33.2000110.6S437S437-P439 WeakPolarHBondContact O-CD 3.19Å
440S43.9Very low55.1Low110 Ų110114.1 Ų114.177%0.76969%0.685SS**  trans-55.8125.5171.9-51.70000110.6T438 A442T438-S440 PolarHBondContact O-N 3.16Å; S440-A442 PolarHBondContact O-N 3.09Å; S440-A442 VanDerWaalsContact O-N 3.09Å
441P45.1Very low52.3Low129 Ų129118.2 Ų118.284%0.83870%0.702SS**  trans-69111174.227.2-32.4000109.5S443P441-S443 PolarHBondContact O-N 2.96Å
442A45.1Very low49.5Very low107 Ų107124.3 Ų124.388%0.88473%0.727SS**  trans-72.5119.8176.800000111.1S440S440-A442 PolarHBondContact O-N 3.09Å; S440-A442 VanDerWaalsContact O-N 3.09Å
443S39.5Very low46.6Very low122 Ų122126.1 Ų126.185%0.85374%0.737SS**  trans-142.4145155.372.20000110P441P441-S443 PolarHBondContact O-N 2.96Å
444A35.7Very low44Very low86 Ų86135.4 Ų135.471%0.71176%0.761SS**  trans-98172.4-15600000115.1
445H33.4Very low41.3Very low176 Ų176132.7 Ų132.782%0.81577%0.765SS**  trans71.7108.6167.7-65.8-75.5000118.8
446R30.6Very low39.4Very low244 Ų244136.3 Ų136.392%0.92177%0.774SS**  -158.4136.787.4-105.7-179.9-178.9-177.20.8113
447S33Very low37.5Very low108 Ų108137.9 Ų137.976%0.75578%0.779SS**  trans-96.2108.6169.951.70000110.1
448T32.5Very low36.1Very low120 Ų120138.3 Ų138.374%0.73679%0.788SS**  trans-161.194.3152.824.20000108.9
449Q34.8Very low35Very low159 Ų159142.5 Ų142.574%0.74380%0.799SS**  42.7102.5125-166.5169.57.300117.9
450D31.5Very low34.1Very low169 Ų169142.4 Ų142.490%0.90480%0.799SS**  trans-126.5126.4141.2-99.3-37.5000109.3
451F30.6Very low33.7Very low172 Ų172146.4 Ų146.475%0.75480%0.799SS**  trans-80.6139.8167.3-98-118.2000108.3
452I31.3Very low33.2Very low164 Ų164148.3 Ų148.384%0.84180%0.797SS**  trans-176.3128.6130.1-94.4150.5000111
453S25.5Very low33Very low98 Ų98149.8 Ų149.869%0.68579%0.79SS**  trans36.398.6154.2-155.70000120.3S455S453-S455 VanDerWaalsContact C-N 3.28Å; S453-S455 PolarHBondContact O-N 3.07Å; S453-S455 PolarHBondContact OG-N 3.44Å
454R29.5Very low33.1Very low261 Ų261152.1 Ų152.199%0.98579%0.787SS**  trans-80.779.2146.4-105.7-176.1170.2-176.7-3.9109.1
455S27.6Very low33.6Very low93 Ų93154 Ų15465%0.6579%0.79SS**  trans-73.4144163.9-174.60000109.8S453S453-S455 VanDerWaalsContact C-N 3.28Å; S453-S455 PolarHBondContact O-N 3.07Å; S453-S455 PolarHBondContact OG-N 3.44Å
456L38.2Very low33.4Very low150 Ų150150.3 Ų150.379%0.78579%0.79SS**  trans-62135.7170-67.383.6000109.9
457T34.1Very low33.5Very low131 Ų131146.6 Ų146.680%0.80479%0.787SS**  174.5110.9128.3250000111.5
458A35.9Very low33.3Very low96 Ų96146.2 Ų146.279%0.79379%0.785SS**  trans-156.587.2152.600000106.3C460A458-C460 PolarHBondContact O-N 2.88Å
459F28.5Very low33.1Very low182 Ų182146.7 Ų146.780%0.79879%0.791SS**  trans-62.3115.6-176.7-112.4-104.9000110
460C29.9Very low33Very low113 Ų113143.6 Ų143.676%0.76479%0.793SS**  trans-78.1132.9158.5-61.60000107.3A458A458-C460 PolarHBondContact O-N 2.88Å
461Y36.2Very low33.2Very low194 Ų194144.9 Ų144.976%0.76179%0.794SS**  trans-9986.6169.9-121.8-84000108
462E33.7Very low33.4Very low170 Ų170145.6 Ų145.679%0.79480%0.799SS**  trans-82.1126.1156.6-74.1-174.4143.500107.7E464E462-E464 PolarHBondContact O-N 3.04Å
463N41.4Very low33.4Very low138 Ų138146.3 Ų146.374%0.73880%0.799SS**  trans-93.376.7169.7-90.1-16.4000109
464E40.6Very low33.7Very low171 Ų171151.2 Ų151.280%0.79981%0.811SS**  trans-105135.9166.3-83.4-77.2148.300109.6E462E462-E464 PolarHBondContact O-N 3.04Å
465V46.2Very low33.7Very low126 Ų126147.6 Ų147.676%0.76481%0.805SS**  trans-63.9142.8-161.2177.60000114.5L467V465-L467 HydrophobicContact CG1-CD1 4.33Å
466A29.3Very low33.7Very low98 Ų98151 Ų15181%0.8182%0.816SS**  trans-141.8116152.900000112
467L34.1Very low33.5Very low165 Ų165151.4 Ų151.486%0.86482%0.817SS**  trans-71.7135.1162.6-74102.8000110.1V465V465-L467 HydrophobicContact CG1-CD1 4.33Å
468S29Very low33.2Very low101 Ų101154.7 Ų154.771%0.70682%0.821SS**  trans-170.3124.1141.556.90000112.8
469C28.3Very low32.9Very low130 Ų130156 Ų15688%0.87882%0.815SS**  trans60.196.8148.8-51.90000119.4
470A31.4Very low32.9Very low93 Ų93152.5 Ų152.577%0.76981%0.813SS**  -166.898.3111.800000109.1
471E35.3Very low32.9Very low197 Ų197152.2 Ų152.292%0.92181%0.807SS**  trans-80.2113.4155.5-69.4171.9156.100105.8
472E34.8Very low32.5Very low187 Ų187150.6 Ų150.687%0.87481%0.807SS**  trans-123.6134.7160.3-76.5-171.2175.200107.2
473E31.6Very low32.2Very low179 Ų179150.1 Ų150.184%0.83681%0.807SS**  trans-88.1136.7-153.1-62.8156.9136.900111.9E475E473-E475 PolarHBondContact O-N 3.04Å
474E31.8Very low31.5Very low201 Ų201150.1 Ų150.194%0.93981%0.811SS**  trans-81.799.3158.7-73.7-174.3150.900107.9D476E474-D476 PolarHBondContact O-N 3.09Å
475E31Very low30.9Very low185 Ų185145.3 Ų145.386%0.86481%0.808SS**  trans-70.8102.8166.6-79.5-163.5150.500109.9E473E473-E475 PolarHBondContact O-N 3.04Å
476D27.6Very low30.1Very low165 Ų165148.2 Ų148.288%0.88281%0.81SS**  trans-106.9131161.8-121.6-18.4000110E474E474-D476 PolarHBondContact O-N 3.09Å
477I32.4Very low30Very low157 Ų157148.4 Ų148.481%0.80580%0.797SS**  trans-80.4122.3-167.6-65.3164.4000111.3
478F28.5Very low29.8Very low200 Ų200151.3 Ų151.388%0.87780%0.797SS**  trans-152.6144.4140.6-144.3-100.6000114.9
479D29.1Very low29.8Very low125 Ų125150 Ų15067%0.66879%0.793SS**  trans-87141.7-169.117914.9000113.3
480S29.4Very low29.8Very low108 Ų108152.8 Ų152.876%0.75579%0.792SS**  trans-16598.3149.8-87.10000115.2
481T29.1Very low29.5Very low106 Ų106155.5 Ų155.565%0.6579%0.789SS**  74.7112.4120.8-53.40000121.2
482Q28.8Very low29.1Very low160 Ų160155 Ų15575%0.74878%0.779SS**  trans96.3111.6144.3-79.9-177.721.400124.2
483M26.7Very low28.6Very low160 Ų160156.2 Ų156.279%0.78878%0.776SS**  69.5132.6127.4-53.3-82-178.300118.8
484V27.8Very low28.3Very low139 Ų139153.9 Ų153.984%0.84277%0.774SS**  -167.2135.158.1163.50000111.6
485G27.7Very low28Very low70 Ų70149.1 Ų149.172%0.72276%0.762SS**  trans65.2150.7156.400000118.1
486K27.8Very low27.8Very low187 Ų187147 Ų14781%0.81376%0.762SS**  cis-175.7166.810.7-121-175.2173.1-106.60107.8
487D28.1Very low27.7Very low101 Ų101145.8 Ų145.854%0.5476%0.755SS.*  cis-163.3132.8-5.8-149.38.1000109.9
488R29.7Very low27.2Very low226 Ų226147.7 Ų147.785%0.85376%0.758SS**  trans66152158.6-57.5173.592.7138.95.1119.8
489A28.3Very low27.1Very low75 Ų75145.1 Ų145.162%0.6275%0.749SS**  cis-170.3157.8-18.500000111.1
490E28.8Very low27Very low187 Ų187144.3 Ų144.387%0.87475%0.753SS**  trans64.2150160.8-68.6167.8147.600118
491E25.9Very low26.8Very low151 Ų151145.8 Ų145.871%0.70675%0.75SS**  cis-151.41686.5-137.8-167.514600114.1
492R26Very low26.8Very low187 Ų187148.4 Ų148.471%0.70675%0.752SS**  trans-16.4148.8172-74.4169.5171.9164.1-2.6124.6
493R25Very low26.7Very low212 Ų212147.6 Ų147.680%0.875%0.748SS**  trans41137130.2-54.1175.8172.6172.5-4118.5
494T24.5Very low26.6Very low129 Ų129146.6 Ų146.679%0.79175%0.746SS**  -163.916855.742.90000113.2
495S25.6Very low26.5Very low101 Ų101145.6 Ų145.671%0.70674%0.741SS**  trans-52159.1157.252.80000114.7
496V26.7Very low26.4Very low140 Ų140146.2 Ų146.285%0.84874%0.739SS**  -171.9145.3115.3151.40000109.6
497D25.8Very low26.4Very low140 Ų140143.2 Ų143.275%0.74974%0.736SS**  trans-101.9135.2178.1175.727.7000109.6
498F22.6Very low26.2Very low197 Ų197145.1 Ų145.186%0.86475%0.745SS**  trans-162.6160.2156.1-141.4-103.8000115.8
499Q24.8Very low26Very low146 Ų146140.2 Ų140.268%0.68274%0.74SS**  trans-141.1122.2-154.8170.7-1716.600111.1
500S27.2Very low25.8Very low108 Ų108142.9 Ų142.976%0.75575%0.754SS**  trans-172.4137.4148.4530000109.7
501M26.4Very low25.6Very low139 Ų139137 Ų13769%0.68574%0.744SS**  cis94.6135.522.2-157.9-176.6-14900113.9
502F27.8Very low25.5Very low161 Ų161134.9 Ų134.971%0.70675%0.746SS**  trans75.1148.5177.8-59.1-70000116.8
503H26.4Very low25.5Very low143 Ų143134 Ų13466%0.66275%0.749SS**  cis-143.5168.11.6-114.3-72.7000105.9
504D25.9Very low25.6Very low140 Ų140130.8 Ų130.875%0.74975%0.748SS**  cis-167.3-166.835.6-132.7-26.1000114.8
505T25.9Very low25.7Very low118 Ų118130.6 Ų130.672%0.72475%0.746SS**  trans-125.6152.2-151.7-40.10000116
506A25.8Very low25.5Very low83 Ų83134.1 Ų134.169%0.68675%0.754SS**  trans69.6158.1157.200000118.6
507T26.2Very low25.4Very low123 Ų123133 Ų13376%0.75575%0.751SS**  cis-167.31614.510.30000112.6
508I25.5Very low25.3Very low142 Ų142132.1 Ų132.173%0.72875%0.75SS**  trans84107.4143.9-72162.9000122.9
509T24.7Very low25.5Very low123 Ų123129.9 Ų129.976%0.75575%0.747SS**  trans54129.113772.80000126.9
510S24.7Very low25.4Very low130 Ų130129.6 Ų129.691%0.90975%0.75SS**  trans77.8132.5135.7-155.50000121.3
511G23.7Very low25.6Very low64 Ų64131.2 Ų131.266%0.6675%0.747SS**  trans135.275156.700000119
512S25.2Very low25.6Very low106 Ų106131.1 Ų131.174%0.74175%0.75SS**  trans42.3138.2141.864.10000124
513H25.4Very low25.5Very low168 Ų168130.5 Ų130.578%0.77875%0.754SS**  trans88.7107.1157.3-69.2-70.6000121.3
514N26.3Very low25.6Very low145 Ų145130.3 Ų130.378%0.77576%0.757SS**  trans32.1123.9137.7-60.1-6.3000121.1
515V26.5Very low25.8Very low125 Ų125132.9 Ų132.976%0.75877%0.765SS**  156.5141.8111165.20000110.5
516M22.6Very low26Very low176 Ų176136 Ų13687%0.86777%0.773SS**  trans82.2140.8160.9-88.5167.8-170.600122.6
517C24.9Very low26Very low115 Ų115141.1 Ų141.178%0.77778%0.783SS**  trans-42.5161.2166.4-460000113.6
518V23.9Very low26.1Very low122 Ų122144.7 Ų144.774%0.73979%0.789SS**  -160.714857.1162.20000109.9
519L25.7Very low26.2Very low151 Ų151145.3 Ų145.379%0.79179%0.793SS**  trans16.5136.8154.2-51.1168.9000118.5
520D23.4Very low26.5Very low139 Ų139146.1 Ų146.174%0.74379%0.792SS**  -163.2161.777.4-122.1-22.3000118.2
521M29.9Very low26.7Very low142 Ų142148.6 Ų148.670%0.779%0.794SS**  trans43.5117.2152.1-71.9174.86500123.4
522D26.5Very low27Very low138 Ų138154 Ų15474%0.73880%0.802SS**  50.8113.5124.3-52.8-23.8000121.7
523N27.1Very low27.2Very low148 Ų148155.4 Ų155.479%0.79181%0.806SS**  -157.5151.6109-140.7-25.5000114.3
524N27.5Very low27.5Very low138 Ų138152.1 Ų152.174%0.73881%0.808SS**  trans-38.2140.7175.6-66.5-71000117.8
525Q29.8Very low27.8Very low195 Ų195152.5 Ų152.591%0.91181%0.808SS**  -162.8143106.6-110169-1100113.6
526M30.7Very low28.2Very low182 Ų182152.2 Ų152.290%0.89781%0.809SS**  trans-81.2144.6167.3-73176.6-87.500109.9
527E26.3Very low28.6Very low192 Ų192151.7 Ų151.790%0.89781%0.809SS**  trans-143.4140.9148.7-152.3158.9-151.900111.4
528F28.5Very low28.8Very low198 Ų198153.9 Ų153.987%0.86881%0.813SS**  trans-79.6152.9173.1-105-109000109.2
529D28Very low29.4Very low154 Ų154153.8 Ų153.882%0.82482%0.815SS**  trans-146.7158.3152.1-136.7-18.7000115.6
530I29.8Very low29.7Very low141 Ų141153 Ų15372%0.72382%0.816SS**  trans-98.7130.4-154.1-69.2164.1000111.4Q532I530-Q532 PolarHBondContact O-N 2.82Å; I530-Q532 VanDerWaalsContact O-N 3.14Å
531L28.6Very low30Very low182 Ų182150.9 Ų150.995%0.95381%0.812SS**  trans-76.298.6171-78.7169.5000111
532Q30Very low29.9Very low177 Ų177154.3 Ų154.383%0.82782%0.819SS**PPolyproline II helixtrans-102.7137.7168.6-156.6161.63.500111.6I530I530-Q532 PolarHBondContact O-N 2.82Å; I530-Q532 VanDerWaalsContact O-N 3.14Å
533T30.5Very low30.1Very low135 Ų135157.8 Ų157.883%0.82883%0.827SS**PPolyproline II helixtrans-74.2129.9-169.347.60000113.6
534A31.7Very low30.3Very low100 Ų100154.6 Ų154.683%0.82682%0.817SS**PPolyproline II helixtrans-99.3126.8171.300000112.2
535I32.1Very low30.4Very low152 Ų152156.3 Ų156.378%0.77982%0.82SS**PPolyproline II helixtrans-94136.4163.4-63.7169.8000106.8
536P34Very low30.6Very low119 Ų119156 Ų15677%0.77382%0.819SS**PPolyproline II helixtrans-83.1135.3-179.532.8-33.1000111.9
537L31.1Very low30.9Very low165 Ų165156.4 Ų156.486%0.86482%0.818SS**  trans-137.5126.7162-74.4175.4000108.9
538D30.6Very low31.2Very low161 Ų161155.9 Ų155.986%0.86185%0.847SS**  trans-73.4143-179.1-72.4-51.6000112.6
539P34.9Very low31.3Very low120 Ų120153.8 Ų153.878%0.77985%0.846SS**  trans-106.4103.517335.6-26.9000112.3
540V32.2Very low31.5Very low136 Ų136153.7 Ų153.782%0.82485%0.847SS**  trans-136.4123.7165.3-179.70000111.3
541S29.5Very low31.6Very low93 Ų93154.4 Ų154.465%0.6585%0.854SS**  trans64110.4166.7-160.40000117.8
542Y27.8Very low31.7Very low214 Ų214152.8 Ų152.884%0.83985%0.848SS**  -162.1141.993-119.4-93.9000111.7
543K31.1Very low31.8Very low211 Ų211151.3 Ų151.392%0.91785%0.849SS**  trans-139102.1176.9-152.8-164.4-164.8-170.60107.5
544S30.9Very low31.9Very low81 Ų81152.4 Ų152.457%0.56685%0.851SS**  trans-163153.5158.462.60000112.2
545E30.7Very low31.9Very low175 Ų175156.1 Ų156.182%0.81885%0.852SS**  trans69.488159.7-70.8138160.900119
546Q34Very low31.9Very low188 Ų188156.5 Ų156.588%0.87986%0.858SS**  -61.9128.5129.9-61.2165.4-91.600109.1
547E36.1Very low31.8Very low190 Ų190159.6 Ų159.689%0.88887%0.865SS**  trans165.7151.5130.1-92.2-176.3168.500110.7
548A32.3Very low31.8Very low181 Ų181159.1 Ų159.1100%1.49687%0.865SS**  trans76.70-174.400000116.8

Retrieved 548 of 548 residues in 274.4 ms (Link to these results)