A0A096MPZ4_PAPAN Loading...

Peroxisome proliferator-activated receptor gamma coactivator 1-beta

AlphaFold DB , UniProt , Accession A0A096MPZ4, Species PAPAN (Papio anubis, Olive baboon), Gene PPARGC1B, Length 1,023 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.5Very low37.7Very low239 Ų239131 Ų131100%1.17782%0.819SS**  01000172.2175.7170.400105.3
2A34.4Very low38.5Very low108 Ų108130.9 Ų130.989%0.89380%0.802SS**  trans56.8157.6-156.600000113.7
3G32.5Very low39.3Very low61 Ų61133.4 Ų133.463%0.62980%0.799SS**  cis163.2155.7-11.600000111.9
4N38.4Very low39.9Very low149 Ų149135.1 Ų135.180%0.79780%0.801SS**  trans71.493.7163.2-51.616.8000117.5
5D35.9Very low40.3Very low144 Ų144131.4 Ų131.477%0.7778%0.784SS**  42.1152.7101.1-52.4-50.1000122.4
6C37.1Very low40.6Very low133 Ų133126.9 Ų126.990%0.89976%0.761SS**  trans70.1131.8167.9-59.60000117.3
7G31.8Very low40.7Very low72 Ų72130.2 Ų130.274%0.74276%0.763SS**  cis121.3110.6-13.500000115
8A40.6Very low40.9Very low95 Ų95133 Ų13379%0.78577%0.765SS**  trans65.3166.9171.100000117.4
9L37.6Very low41.1Very low162 Ų162132.3 Ų132.385%0.84876%0.758SS**  trans70.3132.9179.6-47.7-178.5000113.7
10L45.2Very low41.1Very low117 Ų117133 Ų13361%0.61376%0.759SS**  cis-129.5138.715.2-69.5165.8000112.9E12L10-E12 HydrophobicContact CB-CB 4.25Å; L10-E12 HydrophobicContact CB-CG 4.29Å; L10-E12 HydrophobicContact CD2-CG 4.3Å; L10-E12 PolarHBondContact O-N 2.76Å
11D48.4Very low41.2Very low161 Ų161137.3 Ų137.386%0.86176%0.764SS**  trans-91.331.8173.8-15614000111
12E47.8Very low41.8Very low130 Ų130133.7 Ų133.761%0.60775%0.749SS**  trans-115.6-26-162.1-61.1-168.6149.300114.5L10 L14 S15L10-E12 HydrophobicContact CB-CB 4.25Å; L10-E12 HydrophobicContact CB-CG 4.29Å; L10-E12 HydrophobicContact CD2-CG 4.3Å; L10-E12 PolarHBondContact O-N 2.76Å; E12-L14 VanDerWaalsContact C-N 3.34Å; E12-L14 PolarHBondContact O-N 3.39Å; E12-S15 PolarHBondContact O-N 2.84Å
13E48.3Very low42.2Very low163 Ų163132.4 Ų132.476%0.76274%0.738SS**THydrogen-bonded Turntrans-77.6-11.6-176.5-70.1-163.9131.500114.9S16E13-S16 PolarHBondContact O-OG 3.37Å
14L48.7Very low42.2Very low158 Ų158136.5 Ų136.583%0.82775%0.746SS**THydrogen-bonded Turntrans-92.6-9.8174.6-69.2176.7000113.8E12E12-L14 VanDerWaalsContact C-N 3.34Å; E12-L14 PolarHBondContact O-N 3.39Å
15S45.1Very low42Very low79 Ų79135.4 Ų135.455%0.55275%0.745SS**THydrogen-bonded Turntrans-92.5-27.2176.3-1640000112.5E12 F17E12-S15 PolarHBondContact O-N 2.84Å; S15-F17 PolarHBondContact O-N 2.77Å
16S45.2Very low42.1Very low59 Ų59138.4 Ų138.441%0.41375%0.754SS.*THydrogen-bonded Turntrans-75.3-21.8-17255.20000115.3E13E13-S16 PolarHBondContact O-OG 3.37Å
17F42.5Very low41.8Very low183 Ų183135.4 Ų135.480%0.80375%0.746SS**THydrogen-bonded Turntrans-78.8-19.3178.3-101.5-85.3000114.7S15S15-F17 PolarHBondContact O-N 2.77Å
18F44.5Very low41.7Very low181 Ų181136 Ų13679%0.79475%0.752SS**THydrogen-bonded Turntrans-91.8-11.5-177.6-87-82.5000114.8
19L44.8Very low41.4Very low119 Ų119135.4 Ų135.462%0.62376%0.755SS**THydrogen-bonded Turntrans-97.5-23.2-179.6-81.5163.5000114.4Y21L19-Y21 PolarHBondContact O-N 3.35Å
20N40.1Very low41.3Very low146 Ų146133.8 Ų133.878%0.78176%0.757SS**THydrogen-bonded Turntrans-78.99.5-178-81.5-20.2000115.3
21Y43.4Very low40.7Very low224 Ų224131.3 Ų131.388%0.87876%0.76SS**THydrogen-bonded Turntrans-113.44.2175.3-143.6-90.1000113.8L19L19-Y21 PolarHBondContact O-N 3.35Å
22L45.8Very low40Very low164 Ų164132.2 Ų132.286%0.85976%0.759SS**SBendtrans-130.29.3-178.2-83.5170.8000113.9
23A43.1Very low39.7Very low80 Ų80135 Ų13566%0.66177%0.772SS**SBendtrans-139.849.6-171.200000113.6
24D31.7Very low39Very low147 Ų147134.9 Ų134.979%0.78677%0.771SS**SBendtrans-147.5147.3154.3-140.9-23.4000113.5
25T34.9Very low38.5Very low126 Ų126134.6 Ų134.677%0.77377%0.77SS**  trans62.450.4172.264.40000119.1
26Q38.4Very low38.1Very low208 Ų208141.1 Ų141.197%0.97278%0.784SS**  trans-82.8111.6135-174.1177.442.300107.5
27G29.6Very low37.7Very low70 Ų70141.4 Ų141.472%0.72279%0.79SS**  trans-149.9107.2-172.800000113.6
28G30.1Very low37.7Very low85 Ų85140.5 Ų140.588%0.87679%0.793SS**  trans-20.7129.1-178.700000119.3
29G35.3Very low37.5Very low82 Ų82141 Ų14185%0.84580%0.795SS**  trans-91.1168176.100000115.1
30S35.2Very low37.8Very low127 Ų127141.1 Ų141.189%0.88880%0.803SS**  trans-164.3168.1168.459.60000108.3
31G31.7Very low38.1Very low65 Ų65143 Ų14367%0.6781%0.807SS**  trans91.380.7165.700000114.9E33G31-E33 PolarHBondContact O-N 3.27Å
32E34.8Very low38.3Very low181 Ų181140 Ų14085%0.84681%0.806SS**  trans-44.2123.9137.157.5-135.392.900112
33E40Very low38.5Very low189 Ų189136 Ų13688%0.88379%0.786SS**  trans-170127.8139.3-111174.5178.900114.1G31G31-E33 PolarHBondContact O-N 3.27Å
34Q34.8Very low39Very low160 Ų160138.5 Ų138.575%0.74879%0.787SS**  trans-41.5137.7169.2-91.967.3-2.500116.2
35L38.6Very low39.9Very low152 Ų152136.1 Ų136.180%0.79678%0.782SS**  174.8127.196.8-79.8178.7000107.7
36Y35.2Very low40.7Very low216 Ų216137.6 Ų137.685%0.84778%0.78SS**  70.7123.756.8-154.7-84.3000112.8
37A36.9Very low41.1Very low65 Ų65133.8 Ų133.854%0.53777%0.765SS.*  cis-162.9158.4-16.800000108.1
38D42.1Very low41.9Very low163 Ų163135.4 Ų135.487%0.87276%0.758SS**  trans-17461.1154.1-107.7-14.4000113.3
39F40.7Very low43.2Very low191 Ų191135.8 Ų135.884%0.83875%0.753SS**SBendtrans-137.4134.6152.5-86.2-81.4000107.4E41F39-E41 PolarHBondContact O-N 3.14Å
40P51.6Low44Very low122 Ų122135.5 Ų135.579%0.79274%0.738SS**  trans-71.6114.2179.728.1-33.1000110.2L42P40-L42 PolarHBondContact O-N 3.22Å
41E45.4Very low44.9Very low185 Ų185136.4 Ų136.486%0.86473%0.732SS**  trans-63.3125.9163.9-63.6-179.4153.200108.3F39 D43F39-E41 PolarHBondContact O-N 3.14Å; E41-D43 PolarHBondContact O-N 2.66Å; E41-D43 VanDerWaalsContact O-N 3.08Å
42L47.8Very low45.9Very low161 Ų161141.2 Ų141.284%0.84374%0.735SS**  trans-76.697172.4-79.9171.3000108.6P40 L44P40-L42 PolarHBondContact O-N 3.22Å; L42-L44 PolarHBondContact O-N 2.73Å
43D50Low46.4Very low82 Ų82138.4 Ų138.444%0.43973%0.726SS.*  trans-65.995.7177.517819.5000111.5E41 S45 Q46E41-D43 PolarHBondContact O-N 2.66Å; E41-D43 VanDerWaalsContact O-N 3.08Å; D43-S45 VanDerWaalsContact CG-OG 3.31Å; D43-S45 PolarHBondContact O-N 2.75Å; D43-S45 WeakPolarHBondContact OD1-CB 3.1Å; D43-S45 PolarHBondContact OD1-N 3.25Å; D43-S45 PolarHBondContact OD1-OG 2.76Å; D43-S45 PolarHBondContact OD2-OG 2.8Å; D43-Q46 PolarHBondContact OD2-NE2 3.24Å
44L53.8Low46.9Very low132 Ų132133.9 Ų133.969%0.69172%0.715SS**G310 helixtrans-78.92.1175-63.9178.5000113.4L42 Q46 L47L42-L44 PolarHBondContact O-N 2.73Å; L44-Q46 PolarHBondContact O-N 3.05Å; L44-L47 HydrophobicContact CD2-CD1 4.39Å; L44-L47 PolarHBondContact O-N 3.39Å
45S51.2Low47.8Very low97 Ų97129.9 Ų129.968%0.67871%0.71SS**G310 helixtrans-74.3-9.6174.476.70000113.7D43D43-S45 VanDerWaalsContact CG-OG 3.31Å; D43-S45 PolarHBondContact O-N 2.75Å; D43-S45 WeakPolarHBondContact OD1-CB 3.1Å; D43-S45 PolarHBondContact OD1-N 3.25Å; D43-S45 PolarHBondContact OD1-OG 2.76Å; D43-S45 PolarHBondContact OD2-OG 2.8Å
46Q52.2Low48.5Very low157 Ų157128.6 Ų128.673%0.73471%0.708SS**G310 helixtrans-89.64.1176.1-65.8177.649.400114D43 L44 D48D43-Q46 PolarHBondContact OD2-NE2 3.24Å; L44-Q46 PolarHBondContact O-N 3.05Å; Q46-D48 PolarHBondContact O-N 3.29Å
47L47.1Very low48.9Very low127 Ų127123.5 Ų123.567%0.66570%0.703SS**  trans-81.784.2160.7-74.4171.4000108.8L44 A49L44-L47 HydrophobicContact CD2-CD1 4.39Å; L44-L47 PolarHBondContact O-N 3.39Å; L47-A49 PolarHBondContact O-N 3.26Å
48D46.3Very low49.3Very low104 Ų104129.6 Ų129.656%0.55672%0.718SS**  trans-64.3135169-173.415.4000109.6Q46 S50 D51Q46-D48 PolarHBondContact O-N 3.29Å; D48-S50 VanDerWaalsContact CG-OG 3.3Å; D48-S50 PolarHBondContact O-N 3.36Å; D48-S50 VanDerWaalsContact O-N 3.14Å; D48-S50 PolarHBondContact OD1-N 3.31Å; D48-S50 WeakPolarHBondContact OD2-CB 3.42Å; D48-S50 PolarHBondContact OD2-OG 3.36Å; D48-D51 PolarHBondContact O-N 3.12Å
49A57.1Low49.4Very low94 Ų94124.5 Ų124.578%0.77770%0.704SS**THydrogen-bonded Turntrans-74.11.5-17900000113L47L47-A49 PolarHBondContact O-N 3.26Å
50S52.7Low49.7Very low75 Ų75124.6 Ų124.652%0.52471%0.707SS.*THydrogen-bonded Turntrans-83.6-25.3175.873.30000114.2D48 F52D48-S50 VanDerWaalsContact CG-OG 3.3Å; D48-S50 PolarHBondContact O-N 3.36Å; D48-S50 VanDerWaalsContact O-N 3.14Å; D48-S50 PolarHBondContact OD1-N 3.31Å; D48-S50 WeakPolarHBondContact OD2-CB 3.42Å; D48-S50 PolarHBondContact OD2-OG 3.36Å; S50-F52 PolarHBondContact O-N 3.43Å; S50-F52 VanDerWaalsContact O-N 3.17Å
51D53.1Low49.4Very low146 Ų146125.5 Ų125.578%0.78170%0.704SS**THydrogen-bonded Turntrans-75.61-178.7-92.8-15.2000114D48D48-D51 PolarHBondContact O-N 3.12Å
52F53.8Low48.8Very low166 Ų166124.3 Ų124.373%0.72870%0.699SS**THydrogen-bonded Turntrans-11242.8173.6-82.9-79.6000112.7S50 S54S50-F52 PolarHBondContact O-N 3.43Å; S50-F52 VanDerWaalsContact O-N 3.17Å; F52-S54 PolarHBondContact O-N 3.1Å; F52-S54 PolarHBondContact O-OG 3.25Å; F52-S54 VanDerWaalsContact O-OG 3.07Å
53D43.6Very low48.8Very low122 Ų122127.7 Ų127.765%0.65270%0.701SS**  trans-60.3108.3166.7-169.2-8.1000109.7A55D53-A55 PolarHBondContact O-N 3.29Å; D53-A55 WeakPolarHBondContact OD1-CB 3.23Å; D53-A55 PolarHBondContact OD1-N 3.42Å
54S51.9Low47.9Very low94 Ų94128 Ų12866%0.65771%0.708SS**THydrogen-bonded Turntrans-81.15.8-167.8-57.90000113.3F52F52-S54 PolarHBondContact O-N 3.1Å; F52-S54 PolarHBondContact O-OG 3.25Å; F52-S54 VanDerWaalsContact O-OG 3.07Å
55A52.1Low47Very low76 Ų76127 Ų12763%0.62871%0.71SS**THydrogen-bonded Turntrans-78.1-21.7-173.600000115.3D53D53-A55 PolarHBondContact O-N 3.29Å; D53-A55 WeakPolarHBondContact OD1-CB 3.23Å; D53-A55 PolarHBondContact OD1-N 3.42Å
56T53.2Low45.8Very low126 Ų126131.8 Ų131.877%0.77372%0.721SS**SBendtrans-108.7-11.6-171.137.70000115.9
57C44.8Very low44.9Very low109 Ų109130.8 Ų130.874%0.73672%0.721SS**THydrogen-bonded Turntrans-93.50.7-179.6-153.80000114.6
58F44.2Very low44.5Very low192 Ų192129.6 Ų129.684%0.84272%0.723SS**THydrogen-bonded Turntrans-127.423.5178.6-77.2-76.3000113.4
59G44.8Very low43.8Very low57 Ų57133.3 Ų133.359%0.58874%0.737SS**SBendtrans-83.9-28.6179.300000115.6
60E47.5Very low42.9Very low192 Ų192135.3 Ų135.390%0.89774%0.74SS**SBendtrans-102.69-163.5-63.8-171.4131.900115.6
61L45.6Very low41.9Very low141 Ų141140.4 Ų140.474%0.73876%0.755SS**  trans-125.952.5173.3-73.5177.1000112.1W63L61-W63 PolarHBondContact O-N 2.96Å
62Q32Very low41.8Very low160 Ų160137.4 Ų137.475%0.74874%0.744SS**  trans-71.181.1165-172.5174.5-0.300110.3C64Q62-C64 HydrophobicContact CG-CB 4.28Å; Q62-C64 VanDerWaalsContact CG-SG 3.56Å; Q62-C64 PolarHBondContact NE2-SG 3.13Å; Q62-C64 PolarHBondContact O-N 2.97Å; Q62-C64 VanDerWaalsContact O-N 3.07Å
63W47.7Very low40.7Very low233 Ų233136 Ų13688%0.88374%0.744SS**  trans-63.6105.2161.8-74.586.4000108.8L61L61-W63 PolarHBondContact O-N 2.96Å
64C31.4Very low40.1Very low88 Ų88139.4 Ų139.460%0.59576%0.756SS**  trans-126.5154.8174.1-87.30000111Q62Q62-C64 HydrophobicContact CG-CB 4.28Å; Q62-C64 VanDerWaalsContact CG-SG 3.56Å; Q62-C64 PolarHBondContact NE2-SG 3.13Å; Q62-C64 PolarHBondContact O-N 2.97Å; Q62-C64 VanDerWaalsContact O-N 3.07Å
65P34.2Very low39.1Very low112 Ų112146.2 Ų146.273%0.72777%0.769SS**  trans-93.2141.8-144.633.9-35.2000113.7N67P65-N67 PolarHBondContact O-N 2.59Å
66E26.1Very low38.1Very low196 Ų196147.8 Ų147.892%0.91678%0.776SS**  trans-76.689.3172.4-171.9163.1-157.300110.8
67N32.9Very low37.7Very low137 Ų137147.8 Ų147.873%0.73378%0.778SS**  trans-125.998.6170.2-98.88000110.1P65P65-N67 PolarHBondContact O-N 2.59Å
68S39.8Very low37.4Very low101 Ų101149.2 Ų149.271%0.70678%0.778SS**  trans65.7158.9139.559.40000122.3
69E30.6Very low36.8Very low182 Ų182147.8 Ų147.885%0.8578%0.779SS**  trans85.293160.5-48.1-160.4142.500118.3
70T38Very low37.1Very low137 Ų137150.4 Ų150.484%0.8479%0.788SS**  trans-87.7129.815947.70000111.4
71E33.6Very low37.2Very low181 Ų181150.6 Ų150.685%0.84679%0.789SS**  trans-165.5162.7156.4-99.6-63.884.300107.2
72P49.4Very low37.2Very low84 Ų84150.9 Ų150.955%0.54579%0.791SS.*  -134.2-178-127.339.3-20.5000117.2
73N31.9Very low37.5Very low136 Ų136152 Ų15273%0.72779%0.794SS**  trans69113.8158.5-58.5-33.9000119.2
74Q31.1Very low37.3Very low193 Ų193149.9 Ų149.990%0.90279%0.793SS**  177.3126.4104.6-93.3150.1106.900111.1
75Y31.2Very low38Very low238 Ų238151 Ų15193%0.93379%0.792SS**  trans-96.2148.2167.6-94-89.5000110.7
76S30.4Very low38.5Very low109 Ų109150.6 Ų150.676%0.76278%0.784SS**  trans-91.9140.3177.3-168.10000110.7D78S76-D78 PolarHBondContact O-N 2.83Å
77P45.1Very low40Very low126 Ų126145.6 Ų145.682%0.81877%0.771SS**SBendtrans-95.671.1-172.437.7-35.9000112.9
78D38.1Very low41.2Very low138 Ų138146.6 Ų146.674%0.73877%0.771SS**  trans-16195.7163.2-130.5-18.6000111.6S76S76-D78 PolarHBondContact O-N 2.83Å
79D32.4Very low42.1Very low163 Ų163145.5 Ų145.587%0.87276%0.757SS**  trans-160.491.2163.8-106.7-32.7000107.9
80S50.7Low44Very low111 Ų111143 Ų14378%0.77675%0.746SS**  trans-99.825.3-164.4-630000114.9
81E48.8Very low45.6Very low196 Ų196139.6 Ų139.692%0.91673%0.731SS**  trans-119.418.9-175.1-62.9-165.7161.400114.7
82L45Very low47.3Very low148 Ų148136 Ų13678%0.77572%0.717SS**SBendtrans-105.98.3-177.8-147.381.8000115.8
83F38.7Very low48.6Very low183 Ų183136.4 Ų136.480%0.80371%0.714SS**  trans-132.174-178.3-65.9-72000112.5
84Q44.7Very low50.6Low188 Ų188132.8 Ų132.888%0.87970%0.704SS**  trans-91.598.9158.9-170.5142.431.400107.7D86Q84-D86 PolarHBondContact O-N 2.76Å
85I46.1Very low52.7Low111 Ų111129.3 Ų129.357%0.56969%0.687SS**  trans-73.2123.2179.3-60.1171.7000108.1S87 N89I85-S87 PolarHBondContact O-N 3.47Å; I85-N89 HydrophobicContact CG2-CB 4.16Å
86D44.5Very low54.7Low104 Ų104122.6 Ų122.656%0.55667%0.667SS**  trans-61.7130.7174.7-58.1-64.8000110.1Q84 E88 N89Q84-D86 PolarHBondContact O-N 2.76Å; D86-E88 PolarHBondContact O-N 3.17Å; D86-N89 WeakPolarHBondContact O-CB 3.44Å; D86-N89 PolarHBondContact O-N 2.74Å
87S56.6Low56.9Low92 Ų92120.9 Ų120.964%0.64365%0.652SS**Hα-helixtrans-63.4-13.4-169.354.30000114.7I85I85-S87 PolarHBondContact O-N 3.47Å
88E58Low58.4Low158 Ų158120.6 Ų120.674%0.73864%0.638SS**Hα-helixtrans-66.2-40.8170.9-54.4179.4-125.100111.2D86 L92D86-E88 PolarHBondContact O-N 3.17Å; E88-L92 PolarHBondContact O-N 2.83Å
89N59.1Low59.9Low77 Ų77117.7 Ų117.741%0.41263%0.626SS.*Hα-helixtrans-75.3-25.8177.4-65.7-60.7000112.1I85 D86 L92 L93I85-N89 HydrophobicContact CG2-CB 4.16Å; D86-N89 WeakPolarHBondContact O-CB 3.44Å; D86-N89 PolarHBondContact O-N 2.74Å; N89-L92 PolarHBondContact O-N 2.67Å; N89-L93 VanDerWaalsContact O-CB 3.26Å; N89-L93 WeakPolarHBondContact O-CB 3.36Å; N89-L93 VanDerWaalsContact O-CG 3.25Å; N89-L93 WeakPolarHBondContact O-CG 3.48Å; N89-L93 PolarHBondContact O-N 3.43Å
90E71.4Confident61.6Low130 Ų130115.4 Ų115.461%0.60761%0.612SS**Hα-helixtrans-62.3-42.3174.8-171.7177.9-17200111.3A94E90-A94 VanDerWaalsContact O-CB 3.23Å; E90-A94 WeakPolarHBondContact O-CB 3.5Å; E90-A94 PolarHBondContact O-N 2.7Å
91A70.6Confident62.4Low65 Ų65116.4 Ų116.454%0.53761%0.609SS.*Hα-helixtrans-64.7-45.7175.500000112.2A94 E95A91-A94 PolarHBondContact O-N 3.26Å; A91-E95 WeakPolarHBondContact O-CB 3.41Å; A91-E95 PolarHBondContact O-N 3.39Å
92L69.6Low62.8Low106 Ų106112.9 Ų112.956%0.55560%0.597SS**Hα-helixtrans-64.8-39.1177.9-106.1167.5000112.6E88 N89 L96E88-L92 PolarHBondContact O-N 2.83Å; N89-L92 PolarHBondContact O-N 2.67Å; L92-L96 WeakPolarHBondContact O-CB 3.38Å; L92-L96 VanDerWaalsContact O-CG 3.31Å; L92-L96 WeakPolarHBondContact O-CG 3.36Å; L92-L96 PolarHBondContact O-N 3.09Å
93L75.9Confident63.4Low92 Ų92110.7 Ų110.748%0.48259%0.585SS.*Hα-helixtrans-70.2-38.5174.7-74.4168.4000111.9N89 L96 T97N89-L93 VanDerWaalsContact O-CB 3.26Å; N89-L93 WeakPolarHBondContact O-CB 3.36Å; N89-L93 VanDerWaalsContact O-CG 3.25Å; N89-L93 WeakPolarHBondContact O-CG 3.48Å; N89-L93 PolarHBondContact O-N 3.43Å; L93-L96 PolarHBondContact O-N 3.45Å; L93-T97 VanDerWaalsContact O-CB 3.29Å; L93-T97 WeakPolarHBondContact O-CB 3.34Å; L93-T97 PolarHBondContact O-N 3.5Å; L93-T97 PolarHBondContact O-OG1 2.76Å
94A74.9Confident64.3Low61 Ų61106.8 Ų106.850%0.50458%0.578SS.*Hα-helixtrans-64-41174.500000111.7E90 A91 K98E90-A94 VanDerWaalsContact O-CB 3.23Å; E90-A94 WeakPolarHBondContact O-CB 3.5Å; E90-A94 PolarHBondContact O-N 2.7Å; A91-A94 PolarHBondContact O-N 3.26Å; A94-K98 VanDerWaalsContact O-CB 3.28Å; A94-K98 WeakPolarHBondContact O-CB 3.39Å; A94-K98 PolarHBondContact O-N 3.19Å
95E75.6Confident64.7Low119 Ų119107 Ų10756%0.55658%0.579SS**Hα-helixtrans-70.6-41.1176.9-170.4147.7-12600112.2A91 K98 T99A91-E95 WeakPolarHBondContact O-CB 3.41Å; A91-E95 PolarHBondContact O-N 3.39Å; E95-K98 WeakPolarHBondContact O-CB 3.45Å; E95-K98 PolarHBondContact O-N 3.03Å; E95-T99 WeakPolarHBondContact O-CG2 3.38Å; E95-T99 PolarHBondContact O-N 3.47Å; E95-T99 PolarHBondContact O-OG1 2.83Å
96L73.1Confident64.7Low97 Ų97108.6 Ų108.651%0.50859%0.588SS.*Hα-helixtrans-62.6-42.4172.5-77.9167.9000112.5L92 L93 T99 L100L92-L96 WeakPolarHBondContact O-CB 3.38Å; L92-L96 VanDerWaalsContact O-CG 3.31Å; L92-L96 WeakPolarHBondContact O-CG 3.36Å; L92-L96 PolarHBondContact O-N 3.09Å; L93-L96 PolarHBondContact O-N 3.45Å; L96-T99 WeakPolarHBondContact CA-OG1 3.36Å; L96-T99 PolarHBondContact O-N 2.99Å; L96-T99 PolarHBondContact O-OG1 3.47Å; L96-L100 PolarHBondContact O-N 3.11Å; L96-L100 VanDerWaalsContact O-N 3.15Å
97T75.4Confident65.2Low73 Ų73111.3 Ų111.345%0.44860%0.603SS.*Hα-helixtrans-64.1-43.1176.9-53.60000110.6L93 T99 L100 D101L93-T97 VanDerWaalsContact O-CB 3.29Å; L93-T97 WeakPolarHBondContact O-CB 3.34Å; L93-T97 PolarHBondContact O-N 3.5Å; L93-T97 PolarHBondContact O-OG1 2.76Å; T97-T99 VanDerWaalsContact C-N 3.33Å; T97-T99 PolarHBondContact O-N 3.45Å; T97-L100 WeakPolarHBondContact O-CA 3.43Å; T97-L100 WeakPolarHBondContact O-CB 3.34Å; T97-L100 PolarHBondContact O-N 3.47Å; T97-D101 PolarHBondContact O-N 3.33Å
98K77.1Confident64.7Low120 Ų120113.3 Ų113.352%0.52261%0.611SS.*Hα-helixtrans-58.6-41.3172.7178.6-170.8166.9-156.70112.3A94 E95 L100 D101 D102A94-K98 VanDerWaalsContact O-CB 3.28Å; A94-K98 WeakPolarHBondContact O-CB 3.39Å; A94-K98 PolarHBondContact O-N 3.19Å; E95-K98 WeakPolarHBondContact O-CB 3.45Å; E95-K98 PolarHBondContact O-N 3.03Å; K98-L100 PolarHBondContact O-N 2.9Å; K98-D101 PolarHBondContact O-N 3.09Å; K98-D102 PolarHBondContact O-N 2.9Å
99T70.8Confident63.9Low78 Ų78108.5 Ų108.548%0.47960%0.604SS.*Hα-helixtrans-69.9-12.8174.958.50000114.5E95 L96 T97E95-T99 WeakPolarHBondContact O-CG2 3.38Å; E95-T99 PolarHBondContact O-N 3.47Å; E95-T99 PolarHBondContact O-OG1 2.83Å; L96-T99 WeakPolarHBondContact CA-OG1 3.36Å; L96-T99 PolarHBondContact O-N 2.99Å; L96-T99 PolarHBondContact O-OG1 3.47Å; T97-T99 VanDerWaalsContact C-N 3.33Å; T97-T99 PolarHBondContact O-N 3.45Å
100L67.3Low63.1Low114 Ų114113.9 Ų113.960%0.59763%0.632SS**Hα-helixtrans-90.2-38.2170.8-70.6165000111.4L96 T97 K98 D102 I103L96-L100 PolarHBondContact O-N 3.11Å; L96-L100 VanDerWaalsContact O-N 3.15Å; T97-L100 WeakPolarHBondContact O-CA 3.43Å; T97-L100 WeakPolarHBondContact O-CB 3.34Å; T97-L100 PolarHBondContact O-N 3.47Å; K98-L100 PolarHBondContact O-N 2.9Å; L100-D102 VanDerWaalsContact C-N 3.29Å; L100-D102 PolarHBondContact O-N 2.66Å; L100-I103 HydrophobicContact CD2-CD1 3.98Å; L100-I103 WeakPolarHBondContact O-CB 3.41Å; L100-I103 WeakPolarHBondContact O-CG1 3.44Å; L100-I103 PolarHBondContact O-N 2.71Å; L100-I103 VanDerWaalsContact O-N 3.17Å
101D67.3Low61.7Low133 Ų133112.3 Ų112.371%0.71164%0.64SS**Hα-helixtrans-65.8-28.2172.3-76.7-14.5000112.7T97 K98 I103T97-D101 PolarHBondContact O-N 3.33Å; K98-D101 PolarHBondContact O-N 3.09Å; D101-I103 PolarHBondContact O-N 2.96Å
102D57Low60.1Low122 Ų122113.6 Ų113.665%0.65265%0.651SS**THydrogen-bonded Turntrans-75.91.4173.4-86.7-37.3000113.5K98 L100 P104K98-D102 PolarHBondContact O-N 2.9Å; L100-D102 VanDerWaalsContact C-N 3.29Å; L100-D102 PolarHBondContact O-N 2.66Å; D102-P104 WeakPolarHBondContact O-CD 3.38Å
103I58.3Low58.4Low102 Ų102118.6 Ų118.652%0.52367%0.669SS.*SBendtrans-84.2115.8169.9-57.1177.7000108.7L100 D101 E105L100-I103 HydrophobicContact CD2-CD1 3.98Å; L100-I103 WeakPolarHBondContact O-CB 3.41Å; L100-I103 WeakPolarHBondContact O-CG1 3.44Å; L100-I103 PolarHBondContact O-N 2.71Å; L100-I103 VanDerWaalsContact O-N 3.17Å; D101-I103 PolarHBondContact O-N 2.96Å; I103-E105 PolarHBondContact O-N 2.72Å
104P57.1Low56.9Low101 Ų101120.2 Ų120.266%0.65669%0.685SS**  trans-67.1122.3177.327.2-33.6000111D102 D106D102-P104 WeakPolarHBondContact O-CD 3.38Å; P104-D106 VanDerWaalsContact C-N 3.33Å; P104-D106 PolarHBondContact O-N 3.35Å
105E52.4Low55.1Low193 Ų193121.4 Ų121.490%0.90270%0.695SS**  trans-68.689167.9-69.2-167.3-12000109.9I103 D107I103-E105 PolarHBondContact O-N 2.72Å; E105-D107 PolarHBondContact O-N 2.86Å
106D47.1Very low53.2Low143 Ų143123.8 Ų123.877%0.76571%0.711SS**  trans-6897.4175.3-104.4-21.1000110.5P104 V108P104-D106 VanDerWaalsContact C-N 3.33Å; P104-D106 PolarHBondContact O-N 3.35Å; D106-V108 VanDerWaalsContact C-N 3.33Å; D106-V108 PolarHBondContact O-N 2.81Å
107D53.9Low51.3Low161 Ų161126.7 Ų126.786%0.86173%0.727SS**  trans-68.373.3-171.2-147.6-8.6000113.2E105 G109E105-D107 PolarHBondContact O-N 2.86Å; D107-G109 PolarHBondContact O-N 2.66Å
108V46.8Very low49.4Very low134 Ų134126.3 Ų126.381%0.81274%0.737SS**  trans-92.782178.7-175.40000110.8D106D106-V108 VanDerWaalsContact C-N 3.33Å; D106-V108 PolarHBondContact O-N 2.81Å
109G40.4Very low47.3Very low57 Ų57124.4 Ų124.459%0.58875%0.751SS**  trans-63.1149-169.800000117.6D107 A111D107-G109 PolarHBondContact O-N 2.66Å; G109-A111 PolarHBondContact O-N 2.91Å
110L43.5Very low45.5Very low191 Ų191128.8 Ų128.8100%177%0.772SS**  trans-69.881.7177.9-68168.1000112.9
111A42.3Very low43.8Very low96 Ų96127.6 Ų127.679%0.79378%0.778SS**  trans-139.557.3-173.600000115.4G109G109-A111 PolarHBondContact O-N 2.91Å
112A36.2Very low42.1Very low92 Ų92129 Ų12976%0.7679%0.785SS**  trans-14528.8178.800000116.7P114A112-P114 WeakPolarHBondContact O-CD 3.18Å
113F33.8Very low40.7Very low212 Ų212128.2 Ų128.293%0.9379%0.789SS**  trans-104.2107.8169.7-77-70.2000112
114P45.2Very low39.1Very low125 Ų125129 Ų12981%0.81280%0.802SS**  trans-76128.4157.831.4-30.3000109.5A112A112-P114 WeakPolarHBondContact O-CD 3.18Å
115A36.9Very low37.6Very low87 Ų87130.2 Ų130.272%0.71981%0.808SS**  trans-93.7178176.700000112.2
116L35.7Very low36.4Very low169 Ų169126.6 Ų126.689%0.88580%0.804SS**  trans75150.4-178.3-44.8173.2000113.2
117D33.7Very low35.3Very low158 Ų158124.4 Ų124.485%0.84581%0.806SS**  cis-136.8171.36.1-160.32.9000111
118G34.9Very low34.5Very low65 Ų65122.3 Ų122.367%0.6780%0.804SS**  trans-106.1176.718000000115
119G32.8Very low34.4Very low79 Ų79122.1 Ų122.181%0.81481%0.805SS**  trans110.5132.3165.500000116.1
120D32.9Very low34.3Very low171 Ų171123.6 Ų123.691%0.91481%0.812SS**  trans-70.3146.6177.8-52.2-93.8000114.1
121A32.4Very low34.9Very low89 Ų89120.3 Ų120.374%0.73680%0.802SS**  trans-172.8122.3136.300000115.9
122L29.8Very low34.3Very low162 Ų162121.1 Ų121.185%0.84880%0.802SS**  trans60.197.5135.5-58.4173000122.3
123S27.5Very low34.6Very low106 Ų106122 Ų12274%0.74180%0.802SS**  27.1128.1118.3-49.30000123
124C25.6Very low34.5Very low117 Ų117116.4 Ų116.479%0.79180%0.795SS**  trans61.7145.6132.8-62.20000120.4
125T25.4Very low34.6Very low127 Ų127116 Ų11678%0.77979%0.793SS**  cis-168158.86.57.10000111.3
126S27Very low35.1Very low117 Ų117116.9 Ų116.982%0.81879%0.791SS**  trans56119.1145.3174.90000122
127A25.2Very low34.9Very low97 Ų97114.2 Ų114.280%0.80279%0.787SS**  174144.3113.900000113.6
128S35.8Very low35.5Very low117 Ų117112.3 Ų112.382%0.81878%0.783SS**  trans-108.7161.8170.1-46.80000111
129P45.9Very low35.2Very low130 Ų130115 Ų11584%0.84479%0.786SS**  -152.41779839.5-21.2000116.5
130A37.8Very low35.9Very low88 Ų88116.6 Ų116.673%0.72778%0.782SS**  trans-89.7-175.3168.100000110.7
131P56.4Low35.6Very low123 Ų123117 Ų11780%0.79978%0.779SS**  cis-151.6-170.826.343.4-20.7000119.1
132S30.4Very low35.3Very low113 Ų113122 Ų12279%0.7978%0.783SS**  trans106157.8142.5-151.50000121.7
133S42.3Very low35.8Very low109 Ų109119.8 Ų119.876%0.76278%0.779SS**  trans81.5103.3169.165.80000122.1
134A30.2Very low35.8Very low95 Ų95120.1 Ų120.179%0.78578%0.782SS**  43.1156.7124.500000123.4
135P48Very low35.8Very low117 Ų117119 Ų11976%0.7678%0.78SS**  cis-137.1-159.8-26.636.7-14.2000112.4
136P47.6Very low36.8Very low105 Ų105118.6 Ų118.668%0.68278%0.78SS**  -132.9158.3-66.839.4-24000116.5
137S32.3Very low36.8Very low114 Ų114117.1 Ų117.180%0.79778%0.775SS**  trans67.7159149.174.90000121
138P45.7Very low37.8Very low118 Ų118117.2 Ų117.277%0.76677%0.767SS**  cis-125.1157.6-9.837.6-21.7000116.9
139V29Very low37.7Very low121 Ų121120 Ų12073%0.73377%0.767SS**  trans-15.1152.7140.8179.40000116.5
140P46.5Very low37Very low112 Ų112120.1 Ų120.173%0.72777%0.766SS**  cis-126.8-173.36.418.28.3000114.3
141E26.3Very low36.9Very low181 Ų181122.4 Ų122.485%0.84677%0.766SS**  cis-162.2176.6-29.2-106.5-174.9167.900111.3
142K26.3Very low36.1Very low192 Ų192123.5 Ų123.584%0.83576%0.76SS**  trans-76.1179.7162.3-110.4179.1176.2174.70111
143P40.8Very low36.5Very low117 Ų117124.7 Ų124.776%0.7676%0.757SS**  cis-118.1-169.2-10.443.3-28.4000111.1
144S27.2Very low36.6Very low113 Ų113123.5 Ų123.579%0.7975%0.748SS**  cis-151.7149.616.854.60000114.8
145A26.3Very low37.5Very low93 Ų93125.1 Ų125.177%0.76974%0.743SS**  trans-117-179.7165.100000108
146P46.2Very low37.1Very low118 Ų118125.9 Ų125.977%0.76674%0.74SS**  cis-113.1168.77.118.96.6000113.1
147A26.8Very low37.1Very low86 Ų86127.1 Ų127.171%0.71174%0.737SS**  cis72.615142.700000113.4
148P46.6Very low38.1Very low100 Ų100126.9 Ų126.965%0.64972%0.721SS**  cis-131.6163.315.644-29000117.2
149E32.6Very low38.1Very low175 Ų175127.1 Ų127.182%0.81872%0.716SS**  trans48.2158.9131.1-63.3145.6-145.800121.2
150V31.1Very low38.9Very low133 Ų133128.3 Ų128.381%0.80672%0.717SS**  cis-145.2141.928.3-154.50000113.3
151D36.6Very low38.8Very low136 Ų136129.7 Ų129.773%0.72772%0.718SS**  trans11142.4153.3-147.810.1000122.9
152E39.5Very low39.3Very low145 Ų145124.7 Ų124.768%0.67871%0.707SS**  trans-119.7126.8170.2-76-151.5143.300111.9K158E152-K158 IonicContact OE1-NZ 2.68Å; E152-K158 PolarHBondContact OE1-NZ 3.13Å; E152-K158 IonicContact OE2-NZ 3.74Å; E152-K158 PolarHBondContact OE2-NZ 3.25Å
153L38.1Very low39.5Very low138 Ų138122 Ų12272%0.72371%0.707SS**  trans-108.1140.3172-70.3176.7000113.4
154S45.9Very low39.1Very low84 Ų84122 Ų12259%0.58771%0.709SS**  trans47102.8160.4-70.60000119.6L156 Q157S154-L156 PolarHBondContact O-N 3.43Å; S154-Q157 PolarHBondContact O-N 3.33Å
155L48.8Very low39.3Very low130 Ų130126.3 Ų126.368%0.68171%0.71SS**Hα-helixtrans-49.4-28.7169-171.166.9000114.4Q157 K158 L159L155-Q157 PolarHBondContact O-N 2.89Å; L155-K158 HydrophobicContact CD1-CD 4.41Å; L155-K158 WeakPolarHBondContact O-CB 3.45Å; L155-K158 PolarHBondContact O-N 2.92Å; L155-L159 PolarHBondContact O-N 3.1Å; L155-L159 VanDerWaalsContact O-N 3.15Å
156L38.8Very low39.9Very low132 Ų132127.5 Ų127.569%0.69171%0.71SS**Hα-helixtrans-59.7-34.4177.9-146.679.2000112.6S154 L159 L160S154-L156 PolarHBondContact O-N 3.43Å; L156-L159 PolarHBondContact O-N 2.86Å; L156-L160 PolarHBondContact O-N 3.03Å
157Q47.2Very low39.1Very low132 Ų132128.2 Ų128.262%0.61771%0.712SS**Hα-helixtrans-76.8-24.7176.9-166.3171.63.800112.3S154 L155S154-Q157 PolarHBondContact O-N 3.33Å; L155-Q157 PolarHBondContact O-N 2.89Å
158K54.4Low39.2Very low108 Ų108129.4 Ų129.447%0.4772%0.715SS.*Hα-helixtrans-73.7-29.7172.2-69.1179.7171.7-179.80112.3E152 L155E152-K158 IonicContact OE1-NZ 2.68Å; E152-K158 PolarHBondContact OE1-NZ 3.13Å; E152-K158 IonicContact OE2-NZ 3.74Å; E152-K158 PolarHBondContact OE2-NZ 3.25Å; L155-K158 HydrophobicContact CD1-CD 4.41Å; L155-K158 WeakPolarHBondContact O-CB 3.45Å; L155-K158 PolarHBondContact O-N 2.92Å
159L45.9Very low38.3Very low124 Ų124129.3 Ų129.365%0.64972%0.717SS**Hα-helixtrans-75.2-39.5177.3-91.3158.7000113.4L155 L156 L161L155-L159 PolarHBondContact O-N 3.1Å; L155-L159 VanDerWaalsContact O-N 3.15Å; L156-L159 PolarHBondContact O-N 2.86Å; L159-L161 PolarHBondContact O-N 3.15Å
160L44.2Very low38Very low145 Ų145126.5 Ų126.576%0.75972%0.717SS**THydrogen-bonded Turntrans-72.4-3.9-176.1-94160.8000115.7L156L156-L160 PolarHBondContact O-N 3.03Å
161L45.2Very low37.8Very low142 Ų142127.2 Ų127.274%0.74372%0.716SS**THydrogen-bonded Turntrans-122.47.6-173.3-68.2173.7000114.5L159L159-L161 PolarHBondContact O-N 3.15Å
162A36.2Very low37.5Very low75 Ų75126.4 Ų126.462%0.6272%0.716SS**  trans-104.631.4-164.200000116.2
163T31.3Very low36.8Very low136 Ų136128.1 Ų128.183%0.83472%0.724SS**  trans-131.773.8-179.160.70000114.7
164S32.2Very low36.5Very low116 Ų116128.3 Ų128.381%0.81172%0.719SS**  trans-153.5154.7159.560.20000113.2
165Y31Very low35.6Very low204 Ų204131.9 Ų131.980%0.873%0.727SS**  trans-90.4153.8-162.5-63.1-96.7000114.6
166P39.6Very low34.7Very low118 Ų118129 Ų12977%0.76673%0.728SS**  trans-101.1136.8176.736.4-31.8000114.7
167T28.2Very low34.4Very low134 Ų134128.2 Ų128.282%0.82273%0.734SS**  trans-146.3114.2154.850.70000111.6
168S29.7Very low33.4Very low110 Ų110126 Ų12677%0.76974%0.738SS**  trans24.4136.8152.763.60000120.2
169S27.1Very low32Very low99 Ų99130.6 Ų130.669%0.69275%0.753SS**  180153.157.7520000114.6
170S27.7Very low31.1Very low116 Ų116132.8 Ų132.881%0.81175%0.752SS**  trans61.1162.7158.260.10000117.7
171D25.3Very low30.3Very low147 Ų147134.1 Ų134.179%0.78676%0.755SS**  cis-140.9-169.60.2-153.7-21.7000110.9
172T30.3Very low29.4Very low119 Ų119132 Ų13273%0.7376%0.758SS**  trans-106.3143.5-164.854.40000114.7
173Q25.7Very low28.9Very low181 Ų181131.8 Ų131.885%0.84676%0.762SS**  trans179.3147.3151.5-107.1-174.6-139.400109
174K32Very low28.9Very low142 Ų142134 Ų13462%0.61777%0.768SS**  cis-164.7166-3.9-159-175.2170.6-1350110.8
175E26.4Very low28.8Very low159 Ų159140 Ų14074%0.74377%0.773SS**  trans84.5134148.2-136.4106.2-100.300117.8
176G29.3Very low28.7Very low69 Ų69135.5 Ų135.571%0.71177%0.772SS**  trans165.741.2-176.800000119.1
177S32.5Very low28.3Very low117 Ų117139.4 Ų139.482%0.81878%0.777SS**  trans36.8114.4155.958.40000122.8
178A26.9Very low28.2Very low85 Ų85136.9 Ų136.970%0.70276%0.764SS**  94.3117.811500000123.7
179W24.4Very low28.1Very low205 Ų205140.3 Ų140.378%0.77777%0.768SS**  105.3125.7118.6-87.731.6000122.8
180R26.9Very low28Very low170 Ų170147 Ų14764%0.64278%0.778SS**  trans71.3149.5153.7-58.9-79.7-157.2-77.8-4.3118.4
181Q28.9Very low28.7Very low173 Ų173146.4 Ų146.481%0.80877%0.772SS**  cis-163.1177.2-42.8-131.3-168.117.400111.2
182A25.8Very low28.7Very low97 Ų97145.1 Ų145.180%0.80277%0.773SS**  trans68.4127.3173.700000117.1
183G26.7Very low28.5Very low70 Ų70146.2 Ų146.272%0.72278%0.779SS**  cis108.1106.3-19.400000117.1
184L29.7Very low28.6Very low182 Ų182146.8 Ų146.895%0.95378%0.779SS**  trans-127.9162.5158-75.2177.1000110.1
185R31Very low28.5Very low243 Ų243146.7 Ų146.792%0.91779%0.79SS**  trans-138.2151.4-161.4-48.3175.8-174.6-100.711.9115.4
186S28.1Very low28.4Very low110 Ų110146 Ų14677%0.76979%0.791SS**  trans-166.6123.8137410000108.6
187K31.9Very low28.2Very low200 Ų200148.3 Ų148.387%0.8780%0.797SS**  62.8137.184.1-77-174174.9-179.10113.6
188S26.4Very low28.1Very low81 Ų81148.3 Ų148.357%0.56679%0.791SS**  cis-158.9153.914.8-142.70000116.8
189Q26Very low28.4Very low182 Ų182152.1 Ų152.185%0.8580%0.795SS**  trans66.4163.4143-79.8157.3-5100124
190R25.4Very low28.5Very low239 Ų239147.8 Ų147.890%0.90279%0.787SS**  trans-134.9-160.6-176.7-29.3167.2172.9165-7.1108.2
191P42.9Very low28.8Very low104 Ų104147.3 Ų147.368%0.67579%0.79SS**  cis-136.8-169.2-35.834.9-14.5000114.2
192C25Very low28.9Very low120 Ų120148.6 Ų148.681%0.81179%0.792SS**  trans76.1160159.6-57.70000117.6
193V26.6Very low29.1Very low142 Ų142148.3 Ų148.386%0.86179%0.79SS**  cis-134.1169.413-174.60000111.2
194K28.6Very low29.9Very low193 Ų193150.8 Ų150.884%0.83979%0.794SS**  trans-73.5167.6171.1-57.8176.2176.3-179.60113.8
195V28.9Very low29.8Very low139 Ų139149 Ų14984%0.84278%0.782SS**  trans-167.5166.1133.6134.10000111.8
196D24.6Very low29.8Very low145 Ų145144.2 Ų144.278%0.77578%0.78SS**  trans-79.7169.5-153.5-59.6-98.4000121.3
197S24.7Very low29.8Very low118 Ų118146.8 Ų146.883%0.82578%0.78SS**  118169.3127.4-1480000119.1
198T30.5Very low29.5Very low116 Ų116141.8 Ų141.871%0.71277%0.77SS**  trans-132.6158.4-159.661.80000113
199Q32.8Very low29.8Very low165 Ų165146.4 Ų146.477%0.77178%0.783SS**  170.4116.7126.4-94.2179.63100115.2
200D28Very low30.1Very low114 Ų114142.3 Ų142.361%0.6177%0.774SS**  65.7149.7101.8-156.16000122.9
201K32.8Very low30.6Very low161 Ų161142.1 Ų142.170%0.777%0.774SS**  trans68.4152174.9-69.3115-174.7163.40117.2
202K30.6Very low30.1Very low199 Ų199141.7 Ų141.787%0.86577%0.773SS**  cis-153.6151.117.9-151.9171.5-177.7178.60113.1
203A29.8Very low30.4Very low92 Ų92141.1 Ų141.176%0.7677%0.77SS**  trans-143152163.800000109.5
204P43Very low31.1Very low122 Ų122140.1 Ų140.179%0.79276%0.764SS**  -153.6-167.1109.438.4-19.6000113.5
205M27.7Very low31.4Very low143 Ų143137.4 Ų137.470%0.70475%0.754SS**  173.3128-54.8176.517116400109Q207M205-Q207 HydrophobicContact CE-CG 3.56Å
206T30.5Very low31.7Very low144 Ų144135.9 Ų135.988%0.88374%0.741SS**  trans-136.9145.2162.540.60000110.2
207Q29.1Very low32.6Very low163 Ų163137.8 Ų137.876%0.76275%0.745SS**  trans-109.6178.3-177.2-46.3167.1-74.700108.2M205M205-Q207 HydrophobicContact CE-CG 3.56Å
208S26.4Very low33.6Very low96 Ų96138.7 Ų138.767%0.67173%0.733SS**  cis-166.3150.71249.40000110
209Q32.8Very low34Very low177 Ų177138.5 Ų138.583%0.82773%0.725SS**  179147.6112.4-96.7178.516.100114.8
210S30.7Very low34.2Very low96 Ų96137.9 Ų137.967%0.67173%0.725SS**  trans40.198156.1550000123.3
211R36.8Very low34.4Very low235 Ų235138.6 Ų138.689%0.88773%0.734SS**  68.4101.9110.2-72.8175.9-176.2-111.10.8121.7
212S31.9Very low34.4Very low96 Ų96134.6 Ų134.667%0.67173%0.727SS**  90120.9105.170.70000122.9
213C31.9Very low34.3Very low108 Ų108130 Ų13073%0.7373%0.726SS**  trans68.9114.6132.4-590000118.6
214T40.4Very low34.2Very low121 Ų121134.9 Ų134.974%0.74273%0.733SS**  74.912459.366.80000114.5
215E36.4Very low33.2Very low135 Ų135134.6 Ų134.663%0.63173%0.733SS**  trans63.9150.1-169.8-56.2-17386.100111.5K218E215-K218 WeakPolarHBondContact OE1-CD 3.26Å; E215-K218 WeakPolarHBondContact OE1-CE 3.3Å; E215-K218 IonicContact OE1-NZ 2.79Å; E215-K218 PolarHBondContact OE1-NZ 3.09Å
216L35.4Very low33.1Very low107 Ų107133 Ų13356%0.5674%0.736SS**  cis-144.784.338.3-71155.1000113.2K218L216-K218 HydrophobicContact CD2-CB 4.36Å; L216-K218 PolarHBondContact O-N 2.79Å
217H41.7Very low32.9Very low186 Ų186133.3 Ų133.386%0.86173%0.731SS**THydrogen-bonded Turntrans-80.639.7157.3-125.9-129.9000111.5
218K47.4Very low32.9Very low136 Ų136133.4 Ų133.459%0.59173%0.731SS**THydrogen-bonded Turntrans-108.7-0.3175.4-78.9-179.7172.6167.40112.7E215 L216E215-K218 WeakPolarHBondContact OE1-CD 3.26Å; E215-K218 WeakPolarHBondContact OE1-CE 3.3Å; E215-K218 IonicContact OE1-NZ 2.79Å; E215-K218 PolarHBondContact OE1-NZ 3.09Å; L216-K218 HydrophobicContact CD2-CB 4.36Å; L216-K218 PolarHBondContact O-N 2.79Å
219H38.2Very low32.7Very low113 Ų113134.8 Ų134.852%0.52373%0.731SS.*  trans-126.748.8-173.1-63.8-55.9000114S222H219-S222 PolarHBondContact ND1-OG 3.14Å
220L36.8Very low32.5Very low151 Ų151137.3 Ų137.379%0.79173%0.733SS**SBendtrans-107.58.4154.9-78.9173.5000113
221T31.6Very low32.2Very low130 Ų130136.6 Ų136.680%0.79874%0.741SS**SBendtrans-14168.7165.751.20000110.8
222S32.4Very low31.7Very low77 Ų77133.5 Ų133.554%0.53874%0.741SS.*  trans-168.4109.2158.28.30000110.1H219H219-S222 PolarHBondContact ND1-OG 3.14Å
223A29Very low31.3Very low102 Ų102136.5 Ų136.584%0.84374%0.744SS**  trans-74.7148.4162.800000109.6S225A223-S225 PolarHBondContact O-N 3.27Å
224Q27.3Very low30.9Very low195 Ų195136 Ų13691%0.91174%0.742SS**  trans-82.5115.4-171.2-175.3174.8-000111.9
225S23.7Very low31.1Very low115 Ų115135.6 Ų135.680%0.80474%0.742SS**  trans-78.8155.6164.556.50000111.1A223A223-S225 PolarHBondContact O-N 3.27Å
226C25.4Very low30.4Very low111 Ų111139.8 Ų139.875%0.7575%0.752SS**  trans-99.4140.9-159.9-135.60000114.6
227L26.3Very low29.8Very low149 Ų149141 Ų14178%0.7876%0.758SS**  trans70.3163.8146.7-73164.5000122.4
228Q27.8Very low28.8Very low165 Ų165139.7 Ų139.777%0.77175%0.752SS**  trans76.383167.6-54.6-58.2-11.400120.1
229D23.8Very low27.6Very low125 Ų125138.3 Ų138.367%0.66876%0.76SS**  19.1149124-15929.1000123
230R26.8Very low28.5Very low230 Ų230138.3 Ų138.387%0.86877%0.77SS**  trans48.9124.8157.9-86.1169-173-161.2-1.9121.2
231G25.1Very low27.7Very low81 Ų81143 Ų14384%0.83578%0.777SS**  trans16394.6149.500000116.4
232L26Very low27.7Very low171 Ų171144.3 Ų144.390%0.89578%0.778SS**  trans-74.6153.8167.6-77.8161000111.8
233Q24.1Very low27.8Very low158 Ų158146.4 Ų146.474%0.73879%0.79SS**  trans101.492.6159.3-58.8-70.5400120.4
234S22.4Very low27.5Very low97 Ų97145.8 Ų145.868%0.67879%0.785SS**  65-173.2114.5-45.60000118
235P45.4Very low27.3Very low114 Ų114144.1 Ų144.174%0.7478%0.775SS**  -136.2177.8-11036.4-13.9000117.6
236R21Very low27.5Very low222 Ų222144.7 Ų144.784%0.83877%0.765SS**  trans107.9127.3155-66.8-179163.7-176.5-3.9119.3
237L22.6Very low27.6Very low134 Ų134146.2 Ų146.270%0.70277%0.766SS**  53.1122.3128.5-60.1168.8000121.9
238Q21.9Very low27.8Very low157 Ų157148 Ų14873%0.73477%0.77SS**  70.388.5129.9-67.6179.3-42.700120.9
239S22.4Very low28.1Very low108 Ų108148.1 Ų148.176%0.75577%0.771SS**  77.7174.511682.50000117.5
240P56.3Low29.4Very low113 Ų113147.7 Ų147.773%0.73477%0.774SS**  -133.7163.8-98.536-16.7000115.4
241R21Very low29.5Very low248 Ų248139.3 Ų139.394%0.93676%0.76SS**  trans-164.2137.9154.5-115.1169.4-169.5-155.9-0.3114.6
242L30Very low29.8Very low158 Ų158144.8 Ų144.883%0.82776%0.764SS**  trans-80.7160.4150.1-61.5171.1000107.5
243P35Very low29.8Very low122 Ų122143.9 Ų143.979%0.79276%0.76SS**  -154.4-171.164.243.6-22.6000117.1
244A22.1Very low29.8Very low89 Ų89141.6 Ų141.674%0.73676%0.76SS**  trans70.3136163.300000117.8
245K24.6Very low30.7Very low159 Ų159142.5 Ų142.569%0.69176%0.764SS**  cis96.5130.626.1-83.1-173.3136.6-74.80114.3
246E27.3Very low29.8Very low127 Ų127142.3 Ų142.359%0.59377%0.765SS**  trans58154.7160.6-75.289.2-96.400117.7
247D28.6Very low30.7Very low143 Ų143137.8 Ų137.877%0.76576%0.764SS**  cis-159.9174-12.5-116.4-28000109.8
248E29.9Very low30.8Very low188 Ų188140 Ų14088%0.87977%0.771SS**  trans171.3146.7134.3-89.5-82.472.200111.3
249E34.4Very low31.7Very low167 Ų167138.2 Ų138.278%0.7877%0.773SS**  trans-118.6-158.8-164.7-128.7-141.3117.300110.9
250P50.5Low31.7Very low115 Ų115137.1 Ų137.175%0.74777%0.77SS**  cis-132.3178.4-7.240.4-23.2000116.7
251G28Very low31.3Very low55 Ų55137.4 Ų137.457%0.56777%0.772SS**  trans124.8103.4132.600000120.3
252E32Very low31.4Very low195 Ų195130 Ų13091%0.91176%0.764SS**  trans62145.2146.4-56.8177.2146.100118.2
253D26.1Very low31.6Very low152 Ų152127.9 Ų127.981%0.81376%0.763SS**  cis-148.3176.311.5-155.7-11.8000111.9
254C23.3Very low31.5Very low110 Ų110128 Ų12874%0.74376%0.763SS**  trans-89.4-176.2177.4-77.40000112.4
255P42.4Very low31.9Very low116 Ų116134.3 Ų134.375%0.75377%0.768SS**  cis-138.6-178.87.443.8-25.2000118
256S27.4Very low32Very low110 Ų110133.6 Ų133.677%0.76977%0.772SS**  trans-3.9162.5149.1-53.80000122.5
257P39.4Very low31.9Very low127 Ų127132.6 Ų132.683%0.82578%0.779SS**  cis-132.2176.18.432.9-11.1000117.6
258Q24.5Very low32.2Very low181 Ų181134.1 Ų134.185%0.84679%0.786SS**  trans-82-176.9169.4-78.5-152.30.900112.3
259P40.9Very low32.1Very low120 Ų120130 Ų13078%0.77979%0.785SS**  cis-144.7-169.518.542.4-19.7000118.5
260A22.9Very low32.2Very low84 Ų84130.9 Ų130.969%0.69479%0.793SS**  trans-86.2-154.2163.500000110.1
261P47.4Very low31.2Very low119 Ų119128.8 Ų128.877%0.77379%0.793SS**  cis-136.6-157.2-12.942.1-22000113.5
262A23.3Very low31.7Very low93 Ų93138.4 Ų138.477%0.76981%0.812SS**  trans79.1155.8153.600000120.1
263S33.9Very low31.7Very low114 Ų114133.7 Ų133.780%0.79781%0.807SS**  trans-91.9148.8173.751.70000112
264P31.8Very low32Very low123 Ų123133.9 Ų133.980%0.79981%0.808SS**  trans-126.7165.3141.436.5-27.2000111.9
265R32.2Very low32.9Very low222 Ų222134.7 Ų134.784%0.83881%0.812SS**  trans-83.1153.2164.8-59.6173.5168.8-177.8-4.9109.3
266D24.8Very low33.2Very low145 Ų145132.4 Ų132.478%0.77581%0.809SS**  170.3155.6104.1-86.4-27.3000112.6
267S26.8Very low34.3Very low106 Ų106131.5 Ų131.574%0.74181%0.808SS**  trans62.7103.9159.5-59.60000120.9
268L33.6Very low35Very low175 Ų175131.5 Ų131.592%0.91681%0.808SS**  37.8105.5126.5-61.4168.3000119.4
269A29.3Very low36.4Very low102 Ų102126.9 Ų126.984%0.84379%0.792SS**  -171.1132.3125.600000114.2
270L36.4Very low38Very low184 Ų184123.3 Ų123.396%0.96377%0.77SS**  trans-19.5124.6154.3-175.269.5000116.9
271G28.9Very low40.3Very low71 Ų71126.7 Ų126.773%0.73277%0.771SS**  trans-161.3132.617200000113.4
272R38.5Very low41.9Very low257 Ų257128.8 Ų128.897%0.9777%0.771SS**  trans-57.9148.9-177.3-72173.3160.3-141.7-4113.6
273A31.9Very low44.7Very low97 Ų97128.5 Ų128.580%0.80276%0.756SS**  trans-106.3150.4159.300000110.7
274D32.5Very low46.9Very low156 Ų156127.8 Ų127.883%0.83474%0.742SS**  trans-82.5144.5178.2-84.9-57.4000112.8G276D274-G276 VanDerWaalsContact C-N 3.28Å; D274-G276 PolarHBondContact O-N 3Å
275P42.3Very low49.3Very low127 Ų127127.4 Ų127.483%0.82573%0.729SS**SBendtrans-75.578.9169.632.6-33.9000110.2
276G47.8Very low51.7Low68 Ų68119.4 Ų119.470%0.70171%0.711SS**  trans-149.722.9-168.600000116.4D274D274-G276 VanDerWaalsContact C-N 3.28Å; D274-G276 PolarHBondContact O-N 3Å
277A52Low54.5Low91 Ų91117.2 Ų117.275%0.75270%0.697SS**PPolyproline II helixtrans-90133.717800000112.1V279A277-V279 PolarHBondContact O-N 2.9Å
278P54Low57.3Low126 Ų126116 Ų11682%0.81869%0.685SS**PPolyproline II helixtrans-70.8124.8170.429.1-32.5000110.2S280P278-S280 PolarHBondContact O-N 2.84Å
279V54.1Low59.5Low84 Ų84113.6 Ų113.651%0.50967%0.669SS.*PPolyproline II helixtrans-51.3134.4174.6177.90000110.1A277 D283 M284 M287A277-V279 PolarHBondContact O-N 2.9Å; V279-D283 HydrophobicContact CG1-CB 3.64Å; V279-M284 HydrophobicContact CG1-CG 4.03Å; V279-M287 HydrophobicContact CG1-CE 4.02Å
280S74.3Confident62.3Low46 Ų46113.8 Ų113.832%0.32266%0.655SS.*PPolyproline II helixtrans-66.8155.4-17486.60000111.7P278 E282 D283 M284P278-S280 PolarHBondContact O-N 2.84Å; S280-E282 PolarHBondContact O-N 2.91Å; S280-E282 PolarHBondContact OG-N 2.97Å; S280-D283 WeakPolarHBondContact CB-OD2 3.38Å; S280-D283 PolarHBondContact N-OD2 2.94Å; S280-D283 PolarHBondContact O-N 3.08Å; S280-D283 PolarHBondContact OG-N 2.87Å; S280-D283 PolarHBondContact OG-OD2 3.2Å; S280-M284 PolarHBondContact O-N 3.03Å
281Q71Confident64.4Low154 Ų154109.3 Ų109.372%0.7263%0.631SS**Hα-helixtrans-61.6-27.5175.5-173.3174.6-32.900111.7Q285Q281-Q285 WeakPolarHBondContact O-CB 3.36Å; Q281-Q285 PolarHBondContact O-N 2.84Å
282E80Confident66.6Low163 Ų163114.6 Ų114.676%0.76263%0.629SS**Hα-helixtrans-79.1-35.7179.6-64178.6147.600111.5S280 Q285 A286S280-E282 PolarHBondContact O-N 2.91Å; S280-E282 PolarHBondContact OG-N 2.97Å; E282-Q285 CarbonylContact O-C 3.58Å; E282-Q285 WeakPolarHBondContact O-CB 3.29Å; E282-Q285 PolarHBondContact O-N 3.16Å; E282-A286 WeakPolarHBondContact O-CB 3.32Å; E282-A286 PolarHBondContact O-N 3.33Å
283D82.3Confident68.6Low87 Ų87108.7 Ų108.747%0.46561%0.608SS.*Hα-helixtrans-66.5-40.2171.6-61.2-52000111.9V279 S280 Q285 A286 M287V279-D283 HydrophobicContact CG1-CB 3.64Å; S280-D283 WeakPolarHBondContact CB-OD2 3.38Å; S280-D283 PolarHBondContact N-OD2 2.94Å; S280-D283 PolarHBondContact O-N 3.08Å; S280-D283 PolarHBondContact OG-N 2.87Å; S280-D283 PolarHBondContact OG-OD2 3.2Å; D283-Q285 VanDerWaalsContact C-N 3.33Å; D283-A286 PolarHBondContact O-N 2.87Å; D283-M287 WeakPolarHBondContact O-CB 3.21Å; D283-M287 PolarHBondContact O-N 3.21Å
284M80.7Confident71Confident99 Ų99108 Ų10849%0.48859%0.589SS.*Hα-helixtrans-63.3-40.3171.3-73-170.6-7600111.6V279 S280 A286 V288V279-M284 HydrophobicContact CG1-CG 4.03Å; S280-M284 PolarHBondContact O-N 3.03Å; M284-A286 VanDerWaalsContact C-N 3.33Å; M284-A286 PolarHBondContact O-N 3.38Å; M284-V288 WeakPolarHBondContact O-CB 3.41Å; M284-V288 VanDerWaalsContact O-CG2 3.3Å; M284-V288 WeakPolarHBondContact O-CG2 3.35Å; M284-V288 PolarHBondContact O-N 3.01Å
285Q81.2Confident72.6Confident116 Ų116106.4 Ų106.454%0.54258%0.576SS.*Hα-helixtrans-63.9-38.7174.7-160.983.74.400111.4Q281 E282 D283 Q289Q281-Q285 WeakPolarHBondContact O-CB 3.36Å; Q281-Q285 PolarHBondContact O-N 2.84Å; E282-Q285 CarbonylContact O-C 3.58Å; E282-Q285 WeakPolarHBondContact O-CB 3.29Å; E282-Q285 PolarHBondContact O-N 3.16Å; D283-Q285 VanDerWaalsContact C-N 3.33Å; Q285-Q289 WeakPolarHBondContact O-CG 3.45Å; Q285-Q289 PolarHBondContact O-N 3.4Å
286A83.8Confident74.1Confident54 Ų54105 Ų10545%0.44657%0.566SS.*Hα-helixtrans-69-46.2177.400000111.8E282 D283 M284 V288 Q289 L290E282-A286 WeakPolarHBondContact O-CB 3.32Å; E282-A286 PolarHBondContact O-N 3.33Å; D283-A286 PolarHBondContact O-N 2.87Å; M284-A286 VanDerWaalsContact C-N 3.33Å; M284-A286 PolarHBondContact O-N 3.38Å; A286-V288 VanDerWaalsContact C-N 3.34Å; A286-V288 PolarHBondContact O-N 2.92Å; A286-Q289 PolarHBondContact O-N 3.17Å; A286-Q289 VanDerWaalsContact O-N 3.12Å; A286-L290 WeakPolarHBondContact O-CB 3.32Å; A286-L290 PolarHBondContact O-N 2.79Å
287M83.1Confident74.8Confident98 Ų98108.5 Ų108.548%0.48356%0.559SS.*Hα-helixtrans-57.6-44.8172-84.7-171.7-80.100111.7V279 D283 Q289 L290 I291V279-M287 HydrophobicContact CG1-CE 4.02Å; D283-M287 WeakPolarHBondContact O-CB 3.21Å; D283-M287 PolarHBondContact O-N 3.21Å; M287-Q289 VanDerWaalsContact C-N 3.29Å; M287-Q289 PolarHBondContact O-N 3.08Å; M287-L290 PolarHBondContact O-N 3.36Å; M287-I291 VanDerWaalsContact O-CB 3.3Å; M287-I291 WeakPolarHBondContact O-CB 3.5Å; M287-I291 WeakPolarHBondContact O-CD1 3.29Å; M287-I291 WeakPolarHBondContact O-CG1 3.36Å; M287-I291 PolarHBondContact O-N 2.81Å
288V85Confident75.1Confident81 Ų81108 Ų10849%0.49155%0.548SS..Hα-helixtrans-64.2-33.6176.6169.50000112M284 A286 R292M284-V288 WeakPolarHBondContact O-CB 3.41Å; M284-V288 VanDerWaalsContact O-CG2 3.3Å; M284-V288 WeakPolarHBondContact O-CG2 3.35Å; M284-V288 PolarHBondContact O-N 3.01Å; A286-V288 VanDerWaalsContact C-N 3.34Å; A286-V288 PolarHBondContact O-N 2.92Å; V288-R292 WeakPolarHBondContact O-CB 3.38Å; V288-R292 VanDerWaalsContact O-CG 3.23Å; V288-R292 WeakPolarHBondContact O-CG 3.13Å; V288-R292 PolarHBondContact O-N 2.68Å
289Q81.6Confident74.9Confident125 Ų125107.2 Ų107.258%0.58454%0.537SS*.Hα-helixtrans-71.6-42.4172.9-75.8-171.66600112.7Q285 A286 M287 R292 Y293Q285-Q289 WeakPolarHBondContact O-CG 3.45Å; Q285-Q289 PolarHBondContact O-N 3.4Å; A286-Q289 PolarHBondContact O-N 3.17Å; A286-Q289 VanDerWaalsContact O-N 3.12Å; M287-Q289 VanDerWaalsContact C-N 3.29Å; M287-Q289 PolarHBondContact O-N 3.08Å; Q289-R292 PolarHBondContact O-N 3.37Å; Q289-Y293 WeakPolarHBondContact O-CB 3.21Å; Q289-Y293 PolarHBondContact O-N 3.19Å
290L86.6Confident74.3Confident106 Ų106108.8 Ų108.856%0.55555%0.549SS*.Hα-helixtrans-62.3-43.8175.5-179.560.2000111.5A286 M287 R292 Y293 M294A286-L290 WeakPolarHBondContact O-CB 3.32Å; A286-L290 PolarHBondContact O-N 2.79Å; M287-L290 PolarHBondContact O-N 3.36Å; L290-R292 PolarHBondContact O-N 2.68Å; L290-Y293 PolarHBondContact O-N 3.13Å; L290-M294 HydrophobicContact CD1-CG 4.38Å; L290-M294 WeakPolarHBondContact O-CB 3.39Å; L290-M294 VanDerWaalsContact O-CG 3.32Å; L290-M294 WeakPolarHBondContact O-CG 3.21Å; L290-M294 PolarHBondContact O-N 3.12Å
291I81.1Confident72.6Confident90 Ų90115.8 Ų115.846%0.46258%0.577SS.*Hα-helixtrans-61.5-43.3174.1-71.7165.1000110.7M287 H295M287-I291 VanDerWaalsContact O-CB 3.3Å; M287-I291 WeakPolarHBondContact O-CB 3.5Å; M287-I291 WeakPolarHBondContact O-CD1 3.29Å; M287-I291 WeakPolarHBondContact O-CG1 3.36Å; M287-I291 PolarHBondContact O-N 2.81Å; I291-H295 WeakPolarHBondContact O-CB 3.46Å; I291-H295 PolarHBondContact O-CD2 3.13Å; I291-H295 PolarHBondContact O-N 2.96Å
292R75.4Confident71.2Confident181 Ų181119.7 Ų119.768%0.68359%0.585SS**Hα-helixtrans-65.2-39.6174.9-75.7176.772.6176.52.6112.5V288 Q289 L290 H295 T296V288-R292 WeakPolarHBondContact O-CB 3.38Å; V288-R292 VanDerWaalsContact O-CG 3.23Å; V288-R292 WeakPolarHBondContact O-CG 3.13Å; V288-R292 PolarHBondContact O-N 2.68Å; Q289-R292 PolarHBondContact O-N 3.37Å; L290-R292 PolarHBondContact O-N 2.68Å; R292-H295 PolarHBondContact O-N 3.27Å; R292-T296 PolarHBondContact O-N 3.21Å; R292-T296 PolarHBondContact O-OG1 3Å
293Y81Confident69Low134 Ų134121.6 Ų121.653%0.52559%0.591SS.*Hα-helixtrans-64.3-47.5176.3179.8-96.1000111.4Q289 L290 H295 T296 Y297Q289-Y293 WeakPolarHBondContact O-CB 3.21Å; Q289-Y293 PolarHBondContact O-N 3.19Å; L290-Y293 PolarHBondContact O-N 3.13Å; Y293-H295 VanDerWaalsContact C-N 3.35Å; Y293-H295 PolarHBondContact O-N 2.93Å; Y293-T296 WeakPolarHBondContact CA-OG1 3.46Å; Y293-T296 PolarHBondContact O-N 3.01Å; Y293-T296 PolarHBondContact O-OG1 2.74Å; Y293-Y297 HydrophobicContact CD1-CD2 4.49Å; Y293-Y297 HydrophobicContact CD2-CD2 4.05Å; Y293-Y297 AromaticContact CD2-CE2 3.85Å; Y293-Y297 HydrophobicContact CD2-CE2 3.85Å; Y293-Y297 HydrophobicContact CE1-CD2 4.27Å; Y293-Y297 AromaticContact CE2-CD2 3.82Å; Y293-Y297 HydrophobicContact CE2-CD2 3.82Å; Y293-Y297 AromaticContact CE2-CE2 3.5Å; Y293-Y297 HydrophobicContact CE2-CE2 3.5Å; Y293-Y297 VanDerWaalsContact CE2-CE2 3.5Å; Y293-Y297 HydrophobicContact CG-CD2 4.39Å; Y293-Y297 AromaticContact CZ-CD2 3.93Å; Y293-Y297 AromaticContact CZ-CE2 3.99Å; Y293-Y297 WeakPolarHBondContact O-CD2 3.43Å; Y293-Y297 PolarHBondContact O-N 3.03Å
294M82.1Confident66.9Low82 Ų82124.9 Ų124.940%0.40461%0.607SS.*Hα-helixtrans-60.3-41.4173.2-71.5-75.198.400111.8L290 T296 Y297 C298L290-M294 HydrophobicContact CD1-CG 4.38Å; L290-M294 WeakPolarHBondContact O-CB 3.39Å; L290-M294 VanDerWaalsContact O-CG 3.32Å; L290-M294 WeakPolarHBondContact O-CG 3.21Å; L290-M294 PolarHBondContact O-N 3.12Å; M294-T296 VanDerWaalsContact C-N 3.26Å; M294-T296 PolarHBondContact O-N 3.2Å; M294-Y297 PolarHBondContact O-N 2.97Å; M294-C298 WeakPolarHBondContact O-CA 3.37Å; M294-C298 VanDerWaalsContact O-CB 3.3Å; M294-C298 WeakPolarHBondContact O-CB 3.24Å; M294-C298 PolarHBondContact O-N 3.2Å; M294-C298 VanDerWaalsContact SD-SG 3.68Å
295H65.3Low64.8Low122 Ų122125.4 Ų125.457%0.56562%0.618SS**Hα-helixtrans-66.4-21.9173.3-77.5-49.6000114.4I291 R292 Y293 L299I291-H295 WeakPolarHBondContact O-CB 3.46Å; I291-H295 PolarHBondContact O-CD2 3.13Å; I291-H295 PolarHBondContact O-N 2.96Å; R292-H295 PolarHBondContact O-N 3.27Å; Y293-H295 VanDerWaalsContact C-N 3.35Å; Y293-H295 PolarHBondContact O-N 2.93Å; H295-L299 WeakPolarHBondContact ND1-CD1 3.09Å
296T73.8Confident62.6Low98 Ų98126 Ų12660%0.60163%0.632SS**Hα-helixtrans-81.4-20.8173.545.50000114.8R292 Y293 M294R292-T296 PolarHBondContact O-N 3.21Å; R292-T296 PolarHBondContact O-OG1 3Å; Y293-T296 WeakPolarHBondContact CA-OG1 3.46Å; Y293-T296 PolarHBondContact O-N 3.01Å; Y293-T296 PolarHBondContact O-OG1 2.74Å; M294-T296 VanDerWaalsContact C-N 3.26Å; M294-T296 PolarHBondContact O-N 3.2Å
297Y63.2Low60.1Low141 Ų141132.2 Ų132.255%0.55365%0.652SS**Hα-helixtrans-121.8-26.4-174.8-67.7-71.5000115.3Y293 M294Y293-Y297 HydrophobicContact CD1-CD2 4.49Å; Y293-Y297 HydrophobicContact CD2-CD2 4.05Å; Y293-Y297 AromaticContact CD2-CE2 3.85Å; Y293-Y297 HydrophobicContact CD2-CE2 3.85Å; Y293-Y297 HydrophobicContact CE1-CD2 4.27Å; Y293-Y297 AromaticContact CE2-CD2 3.82Å; Y293-Y297 HydrophobicContact CE2-CD2 3.82Å; Y293-Y297 AromaticContact CE2-CE2 3.5Å; Y293-Y297 HydrophobicContact CE2-CE2 3.5Å; Y293-Y297 VanDerWaalsContact CE2-CE2 3.5Å; Y293-Y297 HydrophobicContact CG-CD2 4.39Å; Y293-Y297 AromaticContact CZ-CD2 3.93Å; Y293-Y297 AromaticContact CZ-CE2 3.99Å; Y293-Y297 WeakPolarHBondContact O-CD2 3.43Å; Y293-Y297 PolarHBondContact O-N 3.03Å; M294-Y297 PolarHBondContact O-N 2.97Å
298C57.8Low57.5Low80 Ų80131.6 Ų131.654%0.54166%0.662SS.*SBendtrans-10817.1-168.7-58.10000114.7M294M294-C298 WeakPolarHBondContact O-CA 3.37Å; M294-C298 VanDerWaalsContact O-CB 3.3Å; M294-C298 WeakPolarHBondContact O-CB 3.24Å; M294-C298 PolarHBondContact O-N 3.2Å; M294-C298 VanDerWaalsContact SD-SG 3.68Å
299L49.6Very low55.2Low111 Ų111133.9 Ų133.958%0.58168%0.678SS**SBendtrans-126.9138.2171.6-72.7179.9000112.2H295H295-L299 WeakPolarHBondContact ND1-CD1 3.09Å
300P41.4Very low52.7Low117 Ų117136.4 Ų136.476%0.7669%0.69SS**  trans-60.5140.9173.2-21.832.8000111.9R302P300-R302 PolarHBondContact O-N 2.97Å
301Q38.9Very low50.4Low193 Ų193135.5 Ų135.590%0.90269%0.691SS**  trans-63.593.4-177.4-71-169-9.800113K303Q301-K303 PolarHBondContact O-N 3.08Å
302R40.3Very low47.9Very low235 Ų235137.9 Ų137.989%0.88770%0.704SS**  trans-61.8113.3164.1-87.3-177.7160.7168.2-4.4109.1P300 L304P300-R302 PolarHBondContact O-N 2.97Å; R302-L304 PolarHBondContact O-N 3.02Å
303K35.2Very low45.9Very low204 Ų204135.3 Ų135.389%0.88771%0.711SS**  trans-68.9116177.7-64.5-178-180178.90110.1Q301Q301-K303 PolarHBondContact O-N 3.08Å
304L37.4Very low43.7Very low156 Ų156137.8 Ų137.882%0.81772%0.724SS**PPolyproline II helixtrans-67.8150.3169.3-106.170.2000111.1R302R302-L304 PolarHBondContact O-N 3.02Å
305P37.3Very low40.9Very low109 Ų109138.9 Ų138.971%0.70875%0.746SS**PPolyproline II helixtrans-66.7153.1171.2-17.131.3000112Q307P305-Q307 PolarHBondContact O-N 2.74Å
306P33.8Very low39.1Very low129 Ų129138.7 Ų138.784%0.83876%0.757SS**PPolyproline II helixtrans-70.2119.4173.728.9-33.3000111.4
307Q31.2Very low36.8Very low185 Ų185139.8 Ų139.886%0.86477%0.769SS**PPolyproline II helixtrans-62.1144.4165.6-87-96.219.200111.1P305P305-Q307 PolarHBondContact O-N 2.74Å
308A30Very low35.2Very low84 Ų84140.6 Ų140.669%0.69478%0.783SS**PPolyproline II helixtrans-95.8136.9174.700000110.8
309P35.8Very low34.4Very low129 Ų129142.1 Ų142.184%0.83879%0.791SS**PPolyproline II helixtrans-81.3126.8178-12.229000113.5
310E28.9Very low33.4Very low179 Ų179141.3 Ų141.384%0.83680%0.795SS**  trans-109.2161.7163.1-96.2-79.6100.500108.9
311P37.8Very low33Very low87 Ų87144.6 Ų144.657%0.56580%0.8SS**  -134.3-170.3-117.642-25.7000116.3
312L29.7Very low32.5Very low139 Ų139144.3 Ų144.373%0.72880%0.799SS**  trans77.4159.6165.8-71.4163.5000116.1K314L312-K314 HydrophobicContact CD2-CG 4.33Å
313P34Very low31.9Very low128 Ų128138.9 Ų138.983%0.83179%0.792SS**  cis-108.1171.78.740.3-32.1000116.3
314K33.4Very low31.5Very low186 Ų186140.5 Ų140.581%0.80979%0.792SS**  trans-100.4143.2175.5-66.7175.2-179.6171.80111.5L312L312-K314 HydrophobicContact CD2-CG 4.33Å
315A24.6Very low31Very low105 Ų105139.2 Ų139.287%0.86880%0.796SS**  trans-126.8150.5156.800000109.2
316C26.5Very low30.6Very low118 Ų118145.3 Ų145.380%0.79781%0.805SS**  trans-117.5142.9-161.1-60.60000113.9
317S25.9Very low30.9Very low121 Ų121143.8 Ų143.885%0.84680%0.796SS**  -170.7155.1128.331.40000113
318N28.6Very low30.6Very low158 Ų158146.4 Ų146.485%0.84580%0.798SS**  trans-131.7170.3177.6-99.3-37000105.8
319P42.5Very low30.4Very low111 Ų111146.9 Ų146.972%0.72180%0.796SS**  cis-158.4-158.644.643.5-19000117.8
320S28.6Very low30.1Very low95 Ų95152.4 Ų152.466%0.66480%0.8SS**  trans76.990.7152.747.20000121.7
321Q32.2Very low30.2Very low185 Ų185152.1 Ų152.186%0.86480%0.798SS**  43.3118.9111.6-62.4177.8-6.700120.9
322Q29.3Very low29.9Very low187 Ų187154 Ų15487%0.87481%0.81SS**  -165.8109.1109.4-106.5-177.615.800115.7
323V26.7Very low30Very low121 Ų121152.8 Ų152.873%0.73381%0.814SS**  trans31.2117.2132.1-171.40000121.9
324R28.1Very low30Very low238 Ų238156.6 Ų156.690%0.89882%0.817SS**  trans64.4114.7149.4-72175.3173-174.7-2121.7
325S27.1Very low30Very low129 Ų129151.7 Ų151.790%0.90281%0.811SS**  -164.7179.910640.20000111.6
326R27.3Very low30.6Very low238 Ų238152.4 Ų152.490%0.89881%0.81SS**  trans-136.8174.6-169.6-107.3-164175-165.21.6108.1
327P40Very low31.1Very low97 Ų97158.5 Ų158.563%0.6382%0.816SS**  cis-139.9162.7-4038.4-22.3000114.1
328W24.7Very low31.9Very low240 Ų240157.2 Ų157.291%0.90981%0.813SS**  trans-158.1168.6141-151.4-108.1000113.2
329S27.1Very low33Very low94 Ų94159 Ų15966%0.65782%0.816SS**  trans10.9116.9172.758.20000120
330R28.3Very low34Very low244 Ų244157.3 Ų157.392%0.92180%0.797SS**  trans-130131156.8179.1171167.5174.7-4.4108.6
331H31Very low36.3Very low174 Ų174155.8 Ų155.881%0.80679%0.787SS**PPolyproline II helixtrans-62.6151.3-172.4-63.8-87.9000113.1S333H331-S333 PolarHBondContact O-N 3.4Å
332P32.8Very low38.3Very low126 Ų126150.8 Ų150.882%0.81877%0.765SS**PPolyproline II helixtrans-69.3127-174.727.2-34.6000112.6
333S32.1Very low40.1Very low114 Ų114147.8 Ų147.880%0.79775%0.754SS**PPolyproline II helixtrans-68.6131.8169.551.60000111H331 A335H331-S333 PolarHBondContact O-N 3.4Å; S333-A335 PolarHBondContact O-N 2.77Å
334K34.1Very low42.4Very low208 Ų208151.1 Ų151.190%0.90475%0.754SS**PPolyproline II helixtrans-56.1131.7172.2-64.2176.3-179175.30109.9
335A33Very low44.7Very low82 Ų82143.1 Ų143.168%0.67873%0.727SS**PPolyproline II helixtrans-74140.917300000110.4S333S333-A335 PolarHBondContact O-N 2.77Å
336S37.4Very low46.9Very low120 Ų120139.5 Ų139.584%0.83970%0.697SS**PPolyproline II helixtrans-65.1130.5162.941.70000109.1A338S336-A338 PolarHBondContact O-N 2.71Å
337W35.5Very low48.9Very low246 Ų246134.9 Ų134.993%0.93269%0.689SS**PPolyproline II helixtrans-78.6121.2172.4-72.258.2000107.4
338A43.1Very low50.3Low94 Ų94133.7 Ų133.778%0.77769%0.688SS**PPolyproline II helixtrans-72.6135.6168.400000108.7S336 F340S336-A338 PolarHBondContact O-N 2.71Å; A338-F340 PolarHBondContact O-N 2.72Å; A338-F340 VanDerWaalsContact O-N 3.14Å
339E52.1Low52.1Low196 Ų196126.8 Ų126.892%0.91667%0.666SS**  trans-68.3109.5-173.8-68168.4174.400111.1S341E339-S341 PolarHBondContact O-N 3.49Å; E339-S341 VanDerWaalsContact O-N 3.15Å
340F63.6Low53.4Low75 Ų75129.6 Ų129.633%0.32967%0.673SS.*  trans-82.587.3174.6-176.8-105.9000109.9A338 I342 E345 L369 P371A338-F340 PolarHBondContact O-N 2.72Å; A338-F340 VanDerWaalsContact O-N 3.14Å; F340-I342 HydrophobicContact CD1-CG1 4.26Å; F340-I342 HydrophobicContact CE1-CG1 3.96Å; F340-I342 PolarHBondContact O-N 2.78Å; F340-E345 HydrophobicContact CE2-CB 4.19Å; F340-E345 HydrophobicContact CE2-CG 4.02Å; F340-E345 HydrophobicContact CZ-CB 4.27Å; F340-E345 HydrophobicContact CZ-CG 4.11Å; F340-L369 HydrophobicContact CZ-CB 4.27Å; F340-P371 HydrophobicContact CD1-CB 4.44Å; F340-P371 HydrophobicContact CD1-CG 3.97Å; F340-P371 HydrophobicContact CD2-CB 4.48Å; F340-P371 HydrophobicContact CE1-CG 4.15Å; F340-P371 HydrophobicContact CG-CB 4.31Å; F340-P371 HydrophobicContact CG-CG 4.31Å
341S77.3Confident55.1Low63 Ų63121 Ų12144%0.44165%0.647SS.*  trans-81.1110.4172.9176.10000110.5E339 L343 R344 E345E339-S341 PolarHBondContact O-N 3.49Å; E339-S341 VanDerWaalsContact O-N 3.15Å; S341-L343 PolarHBondContact O-N 3.07Å; S341-R344 WeakPolarHBondContact O-CA 3.39Å; S341-R344 WeakPolarHBondContact O-CB 3.39Å; S341-R344 PolarHBondContact O-N 2.67Å; S341-E345 PolarHBondContact O-N 3.49Å
342I74.8Confident56.2Low81 Ų81121.1 Ų121.142%0.41565%0.654SS.*Hα-helixtrans-55.2-40.6178.6-63.7170.8000111.1F340 R344 E345 L346 L369F340-I342 HydrophobicContact CD1-CG1 4.26Å; F340-I342 HydrophobicContact CE1-CG1 3.96Å; F340-I342 PolarHBondContact O-N 2.78Å; I342-R344 VanDerWaalsContact C-N 3.32Å; I342-R344 PolarHBondContact O-N 3.11Å; I342-E345 PolarHBondContact O-N 2.91Å; I342-L346 HydrophobicContact CG2-CD1 4Å; I342-L346 HydrophobicContact CG2-CG 4.42Å; I342-L346 WeakPolarHBondContact O-CG 3.37Å; I342-L346 PolarHBondContact O-N 3.15Å; I342-L369 HydrophobicContact CG2-CD1 4.13Å
343L67.3Low57.4Low123 Ų123118.2 Ų118.264%0.64464%0.635SS**Hα-helixtrans-57.8-43173.9-103.1152.4000112.2S341 E345 L347S341-L343 PolarHBondContact O-N 3.07Å; L343-E345 VanDerWaalsContact C-N 3.34Å; L343-L347 HydrophobicContact CD2-CD1 4.34Å; L343-L347 WeakPolarHBondContact O-CB 3.15Å; L343-L347 WeakPolarHBondContact O-CD1 3.39Å; L343-L347 VanDerWaalsContact O-CG 3.23Å; L343-L347 WeakPolarHBondContact O-CG 3.31Å; L343-L347 PolarHBondContact O-N 3.01Å
344R73.7Confident58.5Low191 Ų191117.6 Ų117.672%0.72162%0.623SS**Hα-helixtrans-74.2-25.8-178.4-141-73.8-178.1172.4-6.7112.2S341 I342 A348S341-R344 WeakPolarHBondContact O-CA 3.39Å; S341-R344 WeakPolarHBondContact O-CB 3.39Å; S341-R344 PolarHBondContact O-N 2.67Å; I342-R344 VanDerWaalsContact C-N 3.32Å; I342-R344 PolarHBondContact O-N 3.11Å; R344-A348 WeakPolarHBondContact O-CB 3.4Å
345E77.6Confident59.4Low70 Ų70114 Ų11433%0.32762%0.618SS.*Hα-helixtrans-77.6-46172.2-167.670.4-142.500111.1F340 S341 I342 L343 L347 A348 Q349 L369F340-E345 HydrophobicContact CE2-CB 4.19Å; F340-E345 HydrophobicContact CE2-CG 4.02Å; F340-E345 HydrophobicContact CZ-CB 4.27Å; F340-E345 HydrophobicContact CZ-CG 4.11Å; S341-E345 PolarHBondContact O-N 3.49Å; I342-E345 PolarHBondContact O-N 2.91Å; L343-E345 VanDerWaalsContact C-N 3.34Å; E345-L347 PolarHBondContact O-N 3.44Å; E345-A348 PolarHBondContact O-N 3.29Å; E345-A348 VanDerWaalsContact O-N 3.07Å; E345-Q349 WeakPolarHBondContact O-CG 3.06Å; E345-Q349 PolarHBondContact O-N 2.95Å; E345-Q349 PolarHBondContact OE1-NE2 2.9Å; E345-L369 HydrophobicContact CB-CD1 4.45Å; E345-L369 HydrophobicContact CG-CD1 4.34Å; E345-L369 HydrophobicContact CG-CD2 4.05Å
346L71.8Confident60.8Low53 Ų53114 Ų11428%0.27761%0.614SS.*Hα-helixtrans-58.8-48176-75.1168.9000112.3I342 A348 Q349 V365 L369I342-L346 HydrophobicContact CG2-CD1 4Å; I342-L346 HydrophobicContact CG2-CG 4.42Å; I342-L346 WeakPolarHBondContact O-CG 3.37Å; I342-L346 PolarHBondContact O-N 3.15Å; L346-A348 PolarHBondContact O-N 2.99Å; L346-A348 VanDerWaalsContact O-N 3.15Å; L346-Q349 PolarHBondContact O-N 2.94Å; L346-Q349 VanDerWaalsContact O-N 3.14Å; L346-V365 HydrophobicContact CD2-CG1 4.36Å; L346-L369 HydrophobicContact CD2-CD1 3.72Å; L346-L369 HydrophobicContact CG-CD1 3.75Å
347L69.1Low61.7Low141 Ų141113.3 Ų113.374%0.73860%0.595SS**THydrogen-bonded Turntrans-66.9-8.9177-69.6169.6000113.8L343 E345L343-L347 HydrophobicContact CD2-CD1 4.34Å; L343-L347 WeakPolarHBondContact O-CB 3.15Å; L343-L347 WeakPolarHBondContact O-CD1 3.39Å; L343-L347 VanDerWaalsContact O-CG 3.23Å; L343-L347 WeakPolarHBondContact O-CG 3.31Å; L343-L347 PolarHBondContact O-N 3.01Å; E345-L347 PolarHBondContact O-N 3.44Å
348A70.9Confident62.5Low72 Ų72105.7 Ų105.760%0.59558%0.578SS**THydrogen-bonded Turntrans-104.6-3.217600000113.4R344 E345 L346R344-A348 WeakPolarHBondContact O-CB 3.4Å; E345-A348 PolarHBondContact O-N 3.29Å; E345-A348 VanDerWaalsContact O-N 3.07Å; L346-A348 PolarHBondContact O-N 2.99Å; L346-A348 VanDerWaalsContact O-N 3.15Å
349Q61.8Low62.9Low96 Ų96112 Ų11245%0.44958%0.583SS.*THydrogen-bonded Turntrans-112.52.2-177.3-70.2-173.317.900114.1E345 L346 V351E345-Q349 WeakPolarHBondContact O-CG 3.06Å; E345-Q349 PolarHBondContact O-N 2.95Å; E345-Q349 PolarHBondContact OE1-NE2 2.9Å; L346-Q349 PolarHBondContact O-N 2.94Å; L346-Q349 VanDerWaalsContact O-N 3.14Å; Q349-V351 VanDerWaalsContact C-N 3.26Å; Q349-V351 HydrophobicContact CB-CG2 3.71Å; Q349-V351 PolarHBondContact O-N 2.8Å; Q349-V351 VanDerWaalsContact O-N 3.15Å
350D54.8Low63Low152 Ų152112.9 Ų112.981%0.81358%0.578SS**THydrogen-bonded Turntrans46.745.1173.6-106.3-8.4000113.9L352D350-L352 PolarHBondContact O-N 2.79Å
351V63.4Low62.6Low63 Ų63114.3 Ų114.338%0.38259%0.588SS.*  trans-77.198.7-168.1-1640000111.1Q349 C353 V365Q349-V351 VanDerWaalsContact C-N 3.26Å; Q349-V351 HydrophobicContact CB-CG2 3.71Å; Q349-V351 PolarHBondContact O-N 2.8Å; Q349-V351 VanDerWaalsContact O-N 3.15Å; V351-C353 PolarHBondContact O-N 3.43Å; V351-C353 PolarHBondContact O-SG 2.96Å; V351-V365 HydrophobicContact CG1-CG1 3.91Å
352L54.7Low61.6Low178 Ų178116.6 Ų116.693%0.93261%0.611SS**  trans-57.5102.4173.6-67.7173.3000111.5D350D350-L352 PolarHBondContact O-N 2.79Å
353C58.2Low60.9Low64 Ų64117.8 Ų117.843%0.43262%0.622SS.*  trans-116.5132.8179.6-62.30000110.7V351 V355V351-C353 PolarHBondContact O-N 3.43Å; V351-C353 PolarHBondContact O-SG 2.96Å; C353-V355 PolarHBondContact O-N 3.05Å
354D55.4Low60.8Low102 Ų102114.5 Ų114.555%0.54561%0.608SS.*  trans-71.994.317317711.4000110.7S356 K357D354-S356 VanDerWaalsContact CG-OG 3.23Å; D354-S356 PolarHBondContact O-N 2.95Å; D354-S356 VanDerWaalsContact O-N 3.08Å; D354-S356 VanDerWaalsContact OD1-CB 3.31Å; D354-S356 WeakPolarHBondContact OD1-CB 3.13Å; D354-S356 PolarHBondContact OD1-N 3.3Å; D354-S356 PolarHBondContact OD1-OG 3.09Å; D354-S356 PolarHBondContact OD2-OG 2.88Å; D354-K357 PolarHBondContact O-N 3.29Å; D354-K357 IonicContact OD1-NZ 2.76Å; D354-K357 IonicContact OD2-NZ 2.79Å; D354-K357 PolarHBondContact OD2-NZ 3.15Å
355V52.8Low60.1Low132 Ų132107.8 Ų107.880%0.859%0.588SS**THydrogen-bonded Turntrans-64-10.6-178.9-128.90000113.7C353 K357C353-V355 PolarHBondContact O-N 3.05Å; V355-K357 VanDerWaalsContact C-N 3.27Å; V355-K357 PolarHBondContact O-N 2.86Å
356S60.8Low59.3Low83 Ų83110.8 Ų110.858%0.5860%0.598SS**THydrogen-bonded Turntrans-75.2-10.417971.30000114.3D354D354-S356 VanDerWaalsContact CG-OG 3.23Å; D354-S356 PolarHBondContact O-N 2.95Å; D354-S356 VanDerWaalsContact O-N 3.08Å; D354-S356 VanDerWaalsContact OD1-CB 3.31Å; D354-S356 WeakPolarHBondContact OD1-CB 3.13Å; D354-S356 PolarHBondContact OD1-N 3.3Å; D354-S356 PolarHBondContact OD1-OG 3.09Å; D354-S356 PolarHBondContact OD2-OG 2.88Å
357K58Low58.9Low105 Ų105111.5 Ų111.546%0.45761%0.611SS.*  trans-139.154.8-174.2-60.3172.7-156.966.60113.7D354 V355 Y359 R360D354-K357 PolarHBondContact O-N 3.29Å; D354-K357 IonicContact OD1-NZ 2.76Å; D354-K357 IonicContact OD2-NZ 2.79Å; D354-K357 PolarHBondContact OD2-NZ 3.15Å; V355-K357 VanDerWaalsContact C-N 3.27Å; V355-K357 PolarHBondContact O-N 2.86Å; K357-Y359 PolarHBondContact O-N 3.14Å; K357-Y359 VanDerWaalsContact O-N 3.09Å; K357-R360 HydrophobicContact CB-CB 4.42Å; K357-R360 PolarHBondContact O-N 3.01Å
358P51.4Low58.3Low86 Ų86109.2 Ų109.256%0.55861%0.607SS**G310 helixtrans-57.6-30.5-17422.7-33.4000114.1
359Y51.7Low57.8Low225 Ų225107 Ų10788%0.88258%0.584SS**G310 helixtrans-91.513.2-176.1-54.4-70.9000115.5K357K357-Y359 PolarHBondContact O-N 3.14Å; K357-Y359 VanDerWaalsContact O-N 3.09Å
360R54.7Low57.3Low215 Ų215107.7 Ų107.781%0.81160%0.596SS**G310 helixtrans-1096.8-179.6-70.2-160.7176.7-150.10.1115.7K357K357-R360 HydrophobicContact CB-CB 4.42Å; K357-R360 PolarHBondContact O-N 3.01Å
361L55.1Low56.9Low105 Ų105105 Ų10555%0.5559%0.587SS.*  trans-94.3107.9174.7-60.9-179000110.6T363 V365L361-T363 PolarHBondContact O-N 3.5Å; L361-T363 VanDerWaalsContact O-N 3.13Å; L361-V365 HydrophobicContact CD1-CG2 3.67Å
362A56.3Low55.9Low111 Ų111113.1 Ų113.192%0.91761%0.611SS**SBendtrans-62.9-16.3177.900000113.9
363T59.1Low55Low106 Ų106110 Ų11065%0.6560%0.603SS**SBendtrans-133.4127163.7450000108.4L361L361-T363 PolarHBondContact O-N 3.5Å; L361-T363 VanDerWaalsContact O-N 3.13Å
364P64.9Low53.8Low54 Ų54118.1 Ų118.135%0.35163%0.625SS.*  trans-67.8151.1179.329-35.1000111.2Y366 A367P364-Y366 HydrophobicContact CB-CD1 4.07Å; P364-Y366 HydrophobicContact CB-CD2 4.48Å; P364-Y366 HydrophobicContact CB-CE1 3.6Å; P364-Y366 HydrophobicContact CB-CE2 4.05Å; P364-Y366 HydrophobicContact CB-CG 4.48Å; P364-Y366 HydrophobicContact CG-CD2 4.16Å; P364-Y366 HydrophobicContact CG-CE1 4.03Å; P364-Y366 HydrophobicContact CG-CE2 3.53Å; P364-Y366 VanDerWaalsContact CG-CZ 3.46Å; P364-Y366 PolarHBondContact O-N 2.92Å; P364-Y366 VanDerWaalsContact O-N 3.1Å; P364-A367 HydrophobicContact CG-CB 4.33Å; P364-A367 WeakPolarHBondContact O-CB 3.44Å; P364-A367 PolarHBondContact O-N 3.09Å
365V60.2Low52.8Low50 Ų50118.6 Ų118.630%0.30363%0.634SS.*G310 helixtrans-57.5-31.6-171.7-1780000113.2L346 V351 L361 A367 S368L346-V365 HydrophobicContact CD2-CG1 4.36Å; V351-V365 HydrophobicContact CG1-CG1 3.91Å; L361-V365 HydrophobicContact CD1-CG2 3.67Å; V365-A367 VanDerWaalsContact C-N 3.26Å; V365-A367 PolarHBondContact O-N 3.19Å; V365-S368 PolarHBondContact O-OG 2.93Å; V365-S368 VanDerWaalsContact O-OG 3.13Å
366Y59Low51.7Low134 Ų134123.6 Ų123.653%0.52564%0.638SS.*G310 helixtrans-71.7-12.4176.756.4-106000114.5P364 S368 L369P364-Y366 HydrophobicContact CB-CD1 4.07Å; P364-Y366 HydrophobicContact CB-CD2 4.48Å; P364-Y366 HydrophobicContact CB-CE1 3.6Å; P364-Y366 HydrophobicContact CB-CE2 4.05Å; P364-Y366 HydrophobicContact CB-CG 4.48Å; P364-Y366 HydrophobicContact CG-CD2 4.16Å; P364-Y366 HydrophobicContact CG-CE1 4.03Å; P364-Y366 HydrophobicContact CG-CE2 3.53Å; P364-Y366 VanDerWaalsContact CG-CZ 3.46Å; P364-Y366 PolarHBondContact O-N 2.92Å; P364-Y366 VanDerWaalsContact O-N 3.1Å; Y366-S368 PolarHBondContact O-N 3.38Å; Y366-L369 WeakPolarHBondContact O-CB 3.49Å; Y366-L369 PolarHBondContact O-N 2.68Å; Y366-L369 VanDerWaalsContact O-N 3.09Å
367A64.4Low50.7Low67 Ų67124.9 Ų124.955%0.55465%0.645SS**G310 helixtrans-67.1-20.4-177.300000113.8P364 V365P364-A367 HydrophobicContact CG-CB 4.33Å; P364-A367 WeakPolarHBondContact O-CB 3.44Å; P364-A367 PolarHBondContact O-N 3.09Å; V365-A367 VanDerWaalsContact C-N 3.26Å; V365-A367 PolarHBondContact O-N 3.19Å
368S57.2Low49.5Very low93 Ų93126.1 Ų126.165%0.6566%0.663SS**G310 helixtrans-85.8-6.4174.250.90000113.9V365 Y366 T370V365-S368 PolarHBondContact O-OG 2.93Å; V365-S368 VanDerWaalsContact O-OG 3.13Å; Y366-S368 PolarHBondContact O-N 3.38Å; S368-T370 PolarHBondContact O-N 2.89Å
369L60.2Low48.5Very low25 Ų25131 Ų13113%0.13168%0.675CS.*  trans-82.880.2-176.3-63.2-179.8000112.4F340 I342 E345 L346 Y366F340-L369 HydrophobicContact CZ-CB 4.27Å; I342-L369 HydrophobicContact CG2-CD1 4.13Å; E345-L369 HydrophobicContact CB-CD1 4.45Å; E345-L369 HydrophobicContact CG-CD1 4.34Å; E345-L369 HydrophobicContact CG-CD2 4.05Å; L346-L369 HydrophobicContact CD2-CD1 3.72Å; L346-L369 HydrophobicContact CG-CD1 3.75Å; Y366-L369 WeakPolarHBondContact O-CB 3.49Å; Y366-L369 PolarHBondContact O-N 2.68Å; Y366-L369 VanDerWaalsContact O-N 3.09Å
370T51.5Low47.7Very low111 Ų111126.9 Ų126.968%0.68167%0.669SS**  trans-73.5135.7170.760.10000111.7S368 R372S368-T370 PolarHBondContact O-N 2.89Å; T370-R372 PolarHBondContact O-N 3.47Å
371P46Very low46.6Very low97 Ų97122.5 Ų122.563%0.6367%0.671SS**  trans-61.4100.9175.1-25.335000111.8F340 S373F340-P371 HydrophobicContact CD1-CB 4.44Å; F340-P371 HydrophobicContact CD1-CG 3.97Å; F340-P371 HydrophobicContact CD2-CB 4.48Å; F340-P371 HydrophobicContact CE1-CG 4.15Å; F340-P371 HydrophobicContact CG-CB 4.31Å; F340-P371 HydrophobicContact CG-CG 4.31Å; P371-S373 PolarHBondContact O-N 2.98Å; P371-S373 VanDerWaalsContact O-N 3.09Å
372R41.6Very low45.5Very low233 Ų233126.9 Ų126.988%0.87969%0.689SS**  trans-78.1100-171-153.4174.8-172.7-168.92.8110.4T370 R374T370-R372 PolarHBondContact O-N 3.47Å; R372-R374 PolarHBondContact O-N 2.8Å
373S37Very low44.1Very low112 Ų112126.4 Ų126.478%0.78369%0.685SS**  trans-60102177.9600000110.8P371 P375P371-S373 PolarHBondContact O-N 2.98Å; P371-S373 VanDerWaalsContact O-N 3.09Å; S373-P375 WeakPolarHBondContact O-CD 3.36Å
374R33.3Very low42.6Very low234 Ų234127.1 Ų127.188%0.88369%0.694SS**PPolyproline II helixtrans-57.9119.9-175.5-165.7179.7-165.6178.26.1110R372 R376R372-R374 PolarHBondContact O-N 2.8Å; R374-R376 PolarHBondContact O-N 3.32Å
375P34Very low41.6Very low112 Ų112130.9 Ų130.973%0.72772%0.719SS**PPolyproline II helixtrans-61.5135.2176.325.2-33000109.3S373S373-P375 WeakPolarHBondContact O-CD 3.36Å
376R30Very low39.9Very low238 Ų238131.9 Ų131.990%0.89874%0.739SS**PPolyproline II helixtrans-66.1129.2174.3-77.6-179171.8167.3-2.3108.9R374R374-R376 PolarHBondContact O-N 3.32Å
377P38.5Very low38.4Very low110 Ų110134.5 Ų134.571%0.71476%0.756SS**PPolyproline II helixtrans-65.3145.6168.129.1-33.7000109.5
378P32.8Very low37.5Very low131 Ų131136.5 Ų136.585%0.85176%0.763SS**PPolyproline II helixtrans-63144.2166.329.7-34000109
379K31.7Very low35.9Very low187 Ų187137.2 Ų137.281%0.81377%0.768SS**  trans-118.2115179.7-174-170.6176.2-1790108.7
380D34.2Very low34.4Very low139 Ų139141 Ų14174%0.74380%0.797SS**  178.7161.9127.5-91.1-20.1000112.4
381S30.9Very low33.3Very low123 Ų123141.8 Ų141.886%0.8680%0.801SS**  trans97.9128.9172.9-44.30000116.7
382Q31.9Very low32.5Very low198 Ų198146 Ų14693%0.92581%0.812SS**  trans-95.9140.8173.1-66.4-179.8-24.100110.7
383A27.4Very low31.9Very low101 Ų101142.5 Ų142.584%0.83581%0.806SS**  trans-170.2144.5136.200000110.4
384S28.9Very low31.4Very low120 Ų120142 Ų14284%0.83980%0.798SS**  trans-141.5164.1172.3-61.70000108.4
385P42.7Very low31.2Very low133 Ų133140.8 Ų140.886%0.86479%0.793SS**  cis-125.3169.8-27.635.8-20.8000112.4
386G25.6Very low30.8Very low71 Ų71143.7 Ų143.773%0.73280%0.801SS**  trans-172.4123171.200000114.7
387H27.4Very low30.7Very low190 Ų190137.1 Ų137.188%0.8880%0.797SS**  trans-148.4166.6177.5-92.6-56000108.1
388P44.7Very low30.2Very low108 Ų108136.4 Ų136.470%0.70180%0.801SS**  cis-130.5-179.7-11.836.9-20000113.7
389S23.8Very low29.9Very low109 Ų109135 Ų13576%0.76279%0.794SS**  157.716111258.20000116.7
390S29.1Very low30.5Very low104 Ų104132.3 Ų132.373%0.72780%0.796SS**  trans71112.3161.955.90000122.7
391V28.8Very low30.3Very low128 Ų128134.8 Ų134.878%0.77680%0.8SS**  51.3126.4116.7-176.40000117.2
392E27.7Very low30.2Very low186 Ų186134.4 Ų134.487%0.86980%0.797SS**  -157.7-177.859.4-151.8149150.300115.1
393E28.9Very low30Very low158 Ų158131.5 Ų131.574%0.73879%0.793SS**  trans-116.2170.8-174.8-159.9-165.4154.700111.4
394V26.6Very low30Very low101 Ų101129.8 Ų129.861%0.61279%0.786SS**  trans156.3109.5133.9162.90000114
395R29.4Very low30.4Very low209 Ų209130.5 Ų130.579%0.78979%0.788SS**  trans36.7135.8137.6-58.7174.2-89.3-152.4-8122.6
396I26.5Very low29.9Very low173 Ų173135.4 Ų135.489%0.88779%0.789SS**  trans-96.7145.6160.2-63.2171.5000109.5
397A27.5Very low30.5Very low100 Ų100137.7 Ų137.783%0.82679%0.791SS**  trans-105.9165.5177.400000113
398A28Very low30.4Very low95 Ų95133.2 Ų133.279%0.78578%0.781SS**  trans-129.5149.3-167.900000114.9
399S27.2Very low29.6Very low102 Ų102135.8 Ų135.871%0.71379%0.788SS**  trans50.7145.2151.1-1420000120.4
400P43.7Very low30Very low131 Ų131141.4 Ų141.485%0.85179%0.792SS**  -146.1171.39136.9-19.3000117.7
401K30.3Very low30.5Very low190 Ų190141.4 Ų141.483%0.82679%0.79SS**  trans-75.7165.4-172-52.3155.1-179.9173.10115.5
402S27.6Very low30.4Very low115 Ų115143.8 Ų143.880%0.80480%0.797SS**  trans140.3157.7139.858.90000112.6
403T28.8Very low30.4Very low137 Ų137146 Ų14684%0.8480%0.798SS**  cis-162.6159.5-29.9-78.70000106.4
404G26.9Very low30.2Very low66 Ų66145.3 Ų145.368%0.6880%0.798SS**  trans-75.9-167.4178.900000115.3
405P37.2Very low30.3Very low135 Ų135148.8 Ų148.888%0.87781%0.808SS**  cis-136.1-161.215.842.9-23.6000115.9
406R32.9Very low30.3Very low236 Ų236145.4 Ų145.489%0.89181%0.81SS**  trans-101.1166171.9-74.2-177.1169.6-171.4-3.8112.4
407P38Very low30.3Very low118 Ų118146.7 Ų146.777%0.76681%0.809SS**  -150.9167.4113.840.2-23.9000118.7
408S26Very low30.2Very low97 Ų97144.8 Ų144.868%0.67880%0.799SS**  trans52103.3143.961.80000125.9
409L27.3Very low30.2Very low161 Ų161148.9 Ų148.984%0.84380%0.802SS**  61.7136.1106.2-70.5177.4000126.1
410R31.3Very low30.2Very low227 Ų227150.2 Ų150.286%0.85781%0.805SS**  trans89.1156143.7-71.5-79.6-173164.61.3119.9
411P40.6Very low29.4Very low104 Ų104153.1 Ų153.168%0.67581%0.807SS**  trans-132.2-172.9-145.245.7-29.9000116
412L27Very low29.3Very low178 Ų178153 Ų15393%0.93281%0.81SS**  trans-131.4163.2164.7-77.4173.4000112.6
413R26.8Very low29.7Very low234 Ų234153.5 Ų153.588%0.88381%0.811SS**  trans-103.8-166.4-179-83.5175.7142.9-179.4-6.5111
414L25.8Very low29.6Very low143 Ų143151.9 Ų151.975%0.74981%0.811SS**  trans88.5139.9172.3-75.167.2000113.7
415E27.5Very low29.7Very low173 Ų173159.6 Ų159.681%0.80882%0.819SS**  cis-151.6178.9-0.7-139.4155.9-14900113.5
416V29.1Very low29.4Very low139 Ų139159.5 Ų159.584%0.84281%0.811SS**  trans-109.1127.7-178.2170.80000111.6
417K27.1Very low29.3Very low200 Ų200155.9 Ų155.987%0.8780%0.804SS**  trans-176.4152.2150.1-106.2-177.5175.8-165.70107.6
418G25.8Very low28.8Very low59 Ų59158.1 Ų158.161%0.60880%0.804SS**  cis156.4168.12.200000109.2
419E26.5Very low29.3Very low181 Ų181161.5 Ų161.585%0.84681%0.809SS**  trans69.8110.2-178.2-64.1154.8-147.700113.2
420V27.1Very low29.9Very low130 Ų130163.1 Ų163.179%0.78881%0.813SS**  cis89.210849.1173.30000112.9
421H27.2Very low30.3Very low193 Ų193161.1 Ų161.189%0.89481%0.813SS**  trans-153.6124.9153.3-87.3-69.8000109.3
422Q28.4Very low30.3Very low186 Ų186165.3 Ų165.387%0.86982%0.823SS**PPolyproline II helixtrans-91144160.3-77.5175.9-44.100109.3
423P36.6Very low30.8Very low127 Ų127164.8 Ų164.883%0.82582%0.821SS**PPolyproline II helixtrans-85.7164.8156.335.8-31.5000111.2
424A26.5Very low31.3Very low102 Ų102162.2 Ų162.284%0.84382%0.82SS**PPolyproline II helixtrans-96.3160.1171.800000111.7
425R29.1Very low31.9Very low229 Ų229163 Ų16386%0.86482%0.819SS**PPolyproline II helixtrans-93.8173-176.9-169.8179177.8-178.30.5111.7
426L31.4Very low32.4Very low133 Ų133163.2 Ų163.270%0.69682%0.82SS**  trans82.5132.8169.5-51.7174.2000113.9
427Q29.1Very low32.7Very low160 Ų160165 Ų16575%0.74882%0.819SS**  cis-142.5175.9-2.7-92.4136.7-1100106.9
428Q28.3Very low33.2Very low165 Ų165162.3 Ų162.377%0.77181%0.81SS**  cis-157.3160.916.6-151.3164.3-45.300109.7
429E37.6Very low33.9Very low168 Ų168166.9 Ų166.979%0.78582%0.816SS**  trans-76.8131.6170.7-54.291.1170.700112.4
430E39.6Very low34.6Very low195 Ų195166 Ų16691%0.91181%0.811SS**  trans-173.823.7154.1-115.5171.9-147.300114.9
431E39.8Very low35.2Very low185 Ų185162.9 Ų162.986%0.86479%0.788SS**  trans-135.776.5178-72.2-177.6164.700111.8
432E40.8Very low35.7Very low192 Ų192159.4 Ų159.490%0.89777%0.772SS**  trans-13885.7167.4-75.9-174167.200108.8
433D37.1Very low36.3Very low166 Ų166158.2 Ų158.289%0.88877%0.767SS**SBendtrans-176.7-17.7168.9-110.5-18.4000112.4
434E37.3Very low36.5Very low181 Ų181159.9 Ų159.985%0.84676%0.764SS**SBendtrans-96.2-9.6-179.6-65.9-161.2161.100115.1
435E37.7Very low37Very low158 Ų158159.5 Ų159.574%0.73874%0.743SS**SBendtrans-77.7-26.3-172.8-63.5-159.3138.100114.8E437 E438E435-E437 PolarHBondContact O-N 3.42Å; E435-E438 PolarHBondContact O-N 3.38Å
436E37.7Very low37.4Very low179 Ų179156.1 Ų156.184%0.83674%0.737SS**Hα-helixtrans-69.3-24.1-176-68.5-161156.900114.5
437E36.7Very low37.7Very low175 Ų175155.5 Ų155.582%0.81873%0.73SS**Hα-helixtrans-82.3-15.8174.9-79.2-153.6171.800113.9E435E435-E437 PolarHBondContact O-N 3.42Å
438E37.6Very low38.2Very low145 Ų145155.7 Ų155.768%0.67873%0.732SS**Hα-helixtrans-86.4-31.4178.1-68.5-131.7135.400113.3E435 E441 E442E435-E438 PolarHBondContact O-N 3.38Å; E438-E441 PolarHBondContact O-N 2.56Å; E438-E442 PolarHBondContact O-N 3.05Å; E438-E442 VanDerWaalsContact O-N 3.14Å
439E40.8Very low38.6Very low155 Ų155152.9 Ų152.972%0.72472%0.718SS**Hα-helixtrans-66.9-42.7-179.4-69-146.4139.600113.2E441 E442 E443E439-E441 PolarHBondContact O-N 3.09Å; E439-E442 PolarHBondContact O-N 3.37Å; E439-E443 PolarHBondContact O-N 3.38Å
440E40.2Very low38.4Very low161 Ų161152.7 Ų152.775%0.75272%0.717SS**Hα-helixtrans-60.1-31.5174-76.5-151.3151.400111.8
441E39.6Very low38.1Very low66 Ų66154.3 Ų154.331%0.30872%0.715SS.*Hα-helixtrans-77.9-21.2176.1-72.2-142.7130.300113.7E438 E439 K445 R916E438-E441 PolarHBondContact O-N 2.56Å; E439-E441 PolarHBondContact O-N 3.09Å; E441-K445 WeakPolarHBondContact O-CD 3.41Å; E441-K445 WeakPolarHBondContact O-CE 3.16Å; E441-K445 VanDerWaalsContact O-CG 3.23Å; E441-K445 WeakPolarHBondContact O-CG 3.33Å; E441-K445 PolarHBondContact O-NZ 2.97Å; E441-R916 IonicContact OE1-CZ 3.49Å; E441-R916 IonicContact OE1-NE 3.17Å; E441-R916 PolarHBondContact OE1-NE 3.38Å; E441-R916 IonicContact OE1-NH1 2.67Å; E441-R916 PolarHBondContact OE1-NH1 3.08Å; E441-R916 IonicContact OE1-NH2 2.77Å; E441-R916 PolarHBondContact OE1-NH2 2.88Å; E441-R916 IonicContact OE2-CZ 3.99Å; E441-R916 IonicContact OE2-NE 3.31Å; E441-R916 IonicContact OE2-NH1 3.81Å; E441-R916 PolarHBondContact OE2-NH1 3.22Å; E441-R916 IonicContact OE2-NH2 2.72Å; E441-R916 PolarHBondContact OE2-NH2 3.09Å
442E37.1Very low38.1Very low119 Ų119148.4 Ų148.456%0.55670%0.704SS**Hα-helixtrans-76.5-43.3173.2-73.7-7692.900111.4E438 E439 E444 K445 E446E438-E442 PolarHBondContact O-N 3.05Å; E438-E442 VanDerWaalsContact O-N 3.14Å; E439-E442 PolarHBondContact O-N 3.37Å; E442-E444 PolarHBondContact O-N 2.84Å; E442-K445 WeakPolarHBondContact O-CB 3.36Å; E442-K445 PolarHBondContact O-N 3.28Å; E442-K445 VanDerWaalsContact O-N 3.1Å; E442-K445 IonicContact OE1-NZ 3.55Å; E442-K445 PolarHBondContact OE1-NZ 3.19Å; E442-E446 PolarHBondContact O-N 3.36Å
443E42.7Very low37.6Very low162 Ų162148 Ų14876%0.75769%0.694SS**Hα-helixtrans-62.1-41.4179.6-73-144.8143.300113E439 K445 E446 E447E439-E443 PolarHBondContact O-N 3.38Å; E443-K445 PolarHBondContact O-N 2.84Å; E443-E446 PolarHBondContact O-N 2.75Å; E443-E447 PolarHBondContact O-N 3.38Å
444E39.7Very low37.3Very low161 Ų161150 Ų15075%0.75270%0.695SS**Hα-helixtrans-63.6-28175.7-78.4-147.4146.900112.8E442E442-E444 PolarHBondContact O-N 2.84Å
445K37.7Very low37Very low95 Ų95152.9 Ų152.941%0.41370%0.698SS.*Hα-helixtrans-73-37176.8-66.7172.3-151.6108.20111.9E441 E442 E443 E448 E449E441-K445 WeakPolarHBondContact O-CD 3.41Å; E441-K445 WeakPolarHBondContact O-CE 3.16Å; E441-K445 VanDerWaalsContact O-CG 3.23Å; E441-K445 WeakPolarHBondContact O-CG 3.33Å; E441-K445 PolarHBondContact O-NZ 2.97Å; E442-K445 WeakPolarHBondContact O-CB 3.36Å; E442-K445 PolarHBondContact O-N 3.28Å; E442-K445 VanDerWaalsContact O-N 3.1Å; E442-K445 IonicContact OE1-NZ 3.55Å; E442-K445 PolarHBondContact OE1-NZ 3.19Å; E443-K445 PolarHBondContact O-N 2.84Å; K445-E448 PolarHBondContact O-N 2.89Å; K445-E449 PolarHBondContact O-N 3.38Å
446E38.1Very low37.1Very low158 Ų158151.4 Ų151.474%0.73870%0.702SS**Hα-helixtrans-68.4-40.2-179.4-71.2-118.8124.500112.3E442 E443 E448 E449 E450E442-E446 PolarHBondContact O-N 3.36Å; E443-E446 PolarHBondContact O-N 2.75Å; E446-E448 VanDerWaalsContact C-N 3.31Å; E446-E448 PolarHBondContact O-N 2.79Å; E446-E449 PolarHBondContact O-N 2.67Å; E446-E450 PolarHBondContact O-N 2.92Å
447E37.2Very low36.6Very low119 Ų119146.8 Ų146.856%0.55670%0.703SS**Hα-helixtrans-62.4-32.3175-86.9-117.3149.500112.8E443 R883E443-E447 PolarHBondContact O-N 3.38Å; E447-R883 IonicContact OE1-CZ 2.68Å; E447-R883 IonicContact OE1-NH2 3.8Å; E447-R883 PolarHBondContact OE1-NH2 2.93Å; E447-R883 IonicContact OE2-CZ 2.78Å; E447-R883 IonicContact OE2-NH1 2.93Å; E447-R883 PolarHBondContact OE2-NH1 2.9Å; E447-R883 IonicContact OE2-NH2 3.26Å; E447-R883 PolarHBondContact OE2-NH2 3.06Å
448E38.5Very low36.4Very low165 Ų165150.6 Ų150.677%0.77171%0.71SS**Hα-helixtrans-75.5-33.1175.9-77.5-137.6132.400113.6K445 E446K445-E448 PolarHBondContact O-N 2.89Å; E446-E448 VanDerWaalsContact C-N 3.31Å; E446-E448 PolarHBondContact O-N 2.79Å
449E38Very low36Very low106 Ų106147 Ų14750%0.49571%0.711SS.*Hα-helixtrans-76.9-28.3-178-90.2-92.1155.700113.9K445 E446 W451 G452 R453K445-E449 PolarHBondContact O-N 3.38Å; E446-E449 PolarHBondContact O-N 2.67Å; E449-W451 VanDerWaalsContact C-N 3.27Å; E449-W451 PolarHBondContact O-N 3.4Å; E449-W451 VanDerWaalsContact O-N 3.13Å; E449-G452 PolarHBondContact O-N 2.81Å; E449-R453 IonicContact OE1-CZ 3.62Å; E449-R453 IonicContact OE1-NH2 3.76Å; E449-R453 PolarHBondContact OE1-NH2 3.29Å; E449-R453 IonicContact OE2-CZ 3.37Å; E449-R453 IonicContact OE2-NE 3.59Å; E449-R453 PolarHBondContact OE2-NE 3.34Å; E449-R453 IonicContact OE2-NH2 2.74Å; E449-R453 PolarHBondContact OE2-NH2 3.44Å
450E33.6Very low35.6Very low164 Ų164148 Ų14877%0.76672%0.721SS**G310 helixtrans-59.7-33.8-168.6-150.1-145.6161.500113.5E446 G452E446-E450 PolarHBondContact O-N 2.92Å; E450-G452 PolarHBondContact O-N 3.5Å; E450-G452 VanDerWaalsContact O-N 3.12Å
451W32.4Very low36.1Very low228 Ų228145.5 Ų145.586%0.86472%0.718SS**G310 helixtrans-73.30.4179.4-72.289.4000114.3E449E449-W451 VanDerWaalsContact C-N 3.27Å; E449-W451 PolarHBondContact O-N 3.4Å; E449-W451 VanDerWaalsContact O-N 3.13Å
452G40.4Very low35.5Very low61 Ų61154.8 Ų154.863%0.62975%0.751SS**G310 helixtrans-92-30.8-166.400000118.6E449 E450E449-G452 PolarHBondContact O-N 2.81Å; E450-G452 PolarHBondContact O-N 3.5Å; E450-G452 VanDerWaalsContact O-N 3.12Å
453R29.2Very low35.3Very low183 Ų183154.5 Ų154.569%0.69176%0.757SS**  trans-133.5104-154.5-55.9-175.3-166.3-94.40.4117E449E449-R453 IonicContact OE1-CZ 3.62Å; E449-R453 IonicContact OE1-NH2 3.76Å; E449-R453 PolarHBondContact OE1-NH2 3.29Å; E449-R453 IonicContact OE2-CZ 3.37Å; E449-R453 IonicContact OE2-NE 3.59Å; E449-R453 PolarHBondContact OE2-NE 3.34Å; E449-R453 IonicContact OE2-NH2 2.74Å; E449-R453 PolarHBondContact OE2-NH2 3.44Å
454K31.2Very low35.1Very low209 Ų209155.8 Ų155.891%0.90976%0.76SS**  trans-98.1110.7159.7-69-62.5-175.9-162.20111.4
455R32Very low34.7Very low241 Ų241155.7 Ų155.791%0.90976%0.764SS**PPolyproline II helixtrans-73.4142.9176-61.9177.9180172.20112.4
456P39.3Very low34.3Very low127 Ų127154.3 Ų154.383%0.82578%0.776SS**PPolyproline II helixtrans-99.2116.2148.132.7-25.5000110
457G27.3Very low34.1Very low82 Ų82158.4 Ų158.485%0.84579%0.785SS**PPolyproline II helixtrans-72.5151.8-179.800000113.6
458R30.9Very low34Very low256 Ų256161.9 Ų161.997%0.96680%0.799SS**  trans-139.9136.2169.1-139.7-157.4-51-94.86109.4
459G29Very low33.6Very low68 Ų68160.8 Ų160.870%0.70180%0.797SS**  trans-168.3115.8174.500000112.6
460L33.8Very low33.4Very low177 Ų177163.1 Ų163.193%0.92781%0.808SS**  167.4140.8128.9-88.9168.4000110.1
461P50.1Low33.4Very low109 Ų109160 Ų16071%0.70881%0.805SS**  trans-102.9163.4178.739-33.8000113.2
462W28Very low33.4Very low261 Ų261154.3 Ų154.399%0.98980%0.8SS**  trans-150.1174159.8-106.5-15.1000113.2
463T33Very low33Very low112 Ų112157.3 Ų157.369%0.68781%0.805SS**  trans-134.5156-145.961.40000116.9
464K36.8Very low33.4Very low190 Ų190153.9 Ų153.983%0.82681%0.808SS**  trans78.2146.9146.7-82.7174.6176.9174.60120.8
465L31.3Very low34.4Very low159 Ų159149.2 Ų149.283%0.83280%0.799SS**  trans65.5144.3169.7-85.369.8000117.7
466G29.8Very low34.4Very low65 Ų65143.5 Ų143.567%0.6779%0.791SS**  cis162.4159.8-14.400000116.2
467R33.3Very low34.2Very low244 Ų244148.5 Ų148.592%0.92179%0.793SS**  trans80.6160.4167.9-51.6-175.1-171.4-86.7-1.2118.1
468K35.4Very low34.7Very low193 Ų193155.6 Ų155.684%0.83980%0.795SS**  trans-104164.9-174.5-50.6175176.8-178.50111.1
469L30.7Very low35.1Very low141 Ų141148.5 Ų148.574%0.73878%0.784SS**  -178.2152.4103.4-157.857.9000114
470E33Very low35.3Very low155 Ų155156.3 Ų156.372%0.72479%0.792SS**  trans-33.1166.7168.1-77.5131.9-133.400120.6
471S34.3Very low35.4Very low100 Ų100157 Ų15770%0.69978%0.782SS**  cis-171.9177.8-4.951.40000114.2
472S33.4Very low35Very low108 Ų108158.9 Ų158.976%0.75579%0.786SS**  trans88144.4147.687.60000119
473V32.2Very low35.7Very low124 Ų124153.3 Ų153.375%0.75278%0.775SS**  cis-158.7135.3-9.6112.40000114.2
474C35.9Very low36.7Very low110 Ų110152.8 Ų152.874%0.74377%0.774SS**  trans59.8167.4151.9-660000122.1
475P53.1Low36.5Very low111 Ų111151.4 Ų151.472%0.72177%0.771SS**  cis-130.4145.74.138.4-21000118.8
476V31.2Very low36.5Very low122 Ų122151.8 Ų151.874%0.73977%0.773SS**  50.9124.8128.3-174.40000119
477R35.8Very low36.5Very low231 Ų231152.2 Ų152.287%0.87278%0.776SS**  -165.3144.757.8-144.8160.4-160.5-1744.2114.6
478R38.3Very low37.7Very low232 Ų232146.1 Ų146.188%0.87577%0.769SS**  trans-7.7154158.2-65.8-179.6177.5-175.3-2.8120.1
479S37.9Very low37.3Very low106 Ų106149.1 Ų149.174%0.74178%0.775SS**  cis-175.9-166-9.351.40000107.6
480R34.9Very low37.3Very low233 Ų233149.4 Ų149.488%0.87978%0.776SS**  cis-170.81646.9-146.1-170.2-177.7-171.41.2105.6
481R34.8Very low37Very low190 Ų190146.8 Ų146.872%0.71777%0.771SS**  cis-128.7-136-13-167.6-149.2178.5-95.23.8106.6N483R481-N483 PolarHBondContact NH1-O 3.09Å
482L41.6Very low36.8Very low150 Ų150151.4 Ų151.479%0.78578%0.779SS**  trans-156.5175.1-179.7-69.1174.2000110
483N42.9Very low36.7Very low143 Ų143149.8 Ų149.877%0.76577%0.773SS**  trans-63-172.8158.2-763.4000111.4R481R481-N483 PolarHBondContact NH1-O 3.09Å
484P54.5Low36.5Very low101 Ų101151.2 Ų151.266%0.65678%0.776SS**  cis-143.3-157.21229.9-1000115.5
485E31.2Very low36.4Very low162 Ų162153.4 Ų153.476%0.75778%0.775SS**  trans99154.5152.2-61-44.4132.500123.6
486L32.5Very low36Very low167 Ų167152.6 Ų152.687%0.87477%0.77SS**  trans-93.9162.8-173.3-59.9153.5000112.7
487G29.9Very low36Very low73 Ų73154.2 Ų154.275%0.75377%0.773SS**  trans137.2136.1156.500000116.2
488P56.9Low35.8Very low117 Ų117149.5 Ų149.576%0.7677%0.77SS**  trans-99.6175.8-179.940.1-36.2000113.5
489W28.3Very low36Very low255 Ų255143.8 Ų143.897%0.96676%0.763SS**  trans176.7165.3130.9-9895.1000109
490L30.5Very low35.6Very low147 Ų147144.3 Ų144.377%0.7777%0.767SS**  trans-120.5160.5-156.7-15779.6000113.6
491T27.7Very low35.1Very low101 Ų101141.1 Ų141.162%0.6276%0.762SS**  146.8136.3126.357.10000118.5
492F28.6Very low35.5Very low196 Ų196136.4 Ų136.486%0.8676%0.756SS**  trans64.5143.2148.4-57.3-41.4000122.5
493A31.8Very low34.8Very low75 Ų75137.9 Ų137.962%0.6276%0.759SS**  cis-166.2158.1-10.300000114.1
494D28.7Very low33.9Very low153 Ų153135 Ų13582%0.81876%0.762SS**  trans54.4150.7148.1-57.8-22000122.7
495E32.3Very low32.5Very low156 Ų156135 Ų13573%0.72977%0.771SS**  cis-157.9-177.6-0.9-127.2-142.7104.800107.8
496P45.1Very low32.8Very low94 Ų94135.2 Ų135.261%0.6178%0.777SS**  cis-137.1179.66.641.8-22.3000118.4
497L32.3Very low32.8Very low156 Ų156132.6 Ų132.682%0.81777%0.77SS**  trans77.3147.4171.5-77.9111.3000119.2
498V32Very low32.5Very low132 Ų132133.3 Ų133.380%0.876%0.763SS**  trans-159177-145.8-105.70000110.7
499P41.1Very low30.9Very low112 Ų112135.3 Ų135.373%0.72777%0.767SS**  cis-137.61771842.5-24000118.9
500S30.5Very low30.7Very low118 Ų118128 Ų12883%0.82575%0.753SS**  trans88.873.5156.5-48.30000119.2
501E24.5Very low30.5Very low166 Ų166128.4 Ų128.478%0.77676%0.755SS**  trans-75.6-174.1159.3-113.7-159.1134.100112.6
502P42Very low30.7Very low91 Ų91128.1 Ų128.159%0.59176%0.763SS**  cis-140.7177.3-23.235.8-16.5000116.2
503Q27.5Very low31.4Very low181 Ų181124 Ų12485%0.84676%0.756SS**  trans42.2145.3139.2-67.9173.556.900123.8
504G24.8Very low31Very low81 Ų81129.8 Ų129.884%0.83577%0.767SS**  trans176.9144.3158.800000113.2
505A25.1Very low30.9Very low102 Ų102125.5 Ų125.584%0.84375%0.753SS**  trans-106.4173.8170.800000111
506L35.8Very low30.6Very low166 Ų166128.5 Ų128.587%0.86976%0.759SS**  trans-44.4152.9172.1-58.9177.6000112.6
507P33.8Very low29.9Very low112 Ų112130.4 Ų130.473%0.72776%0.764SS**  cis-149.2-150.535.243.2-21.2000115.5
508S22.4Very low29.7Very low88 Ų88130.3 Ų130.362%0.61576%0.763SS**  trans76.5103.8149.151.80000121.1
509L23.8Very low29.8Very low160 Ų160130.3 Ų130.384%0.83875%0.754SS**  73.3139115.3-69.3166.2000122
510C23.7Very low29.4Very low100 Ų100133.1 Ų133.168%0.67675%0.75SS**  trans71.994.4146.2-67.10000121
511L27.6Very low29.5Very low157 Ų157134.1 Ų134.182%0.82274%0.742SS**  58.6104.2112.2-68.1164.2000119.9
512A31.6Very low29.8Very low94 Ų94133.7 Ų133.778%0.77774%0.744SS**  trans67.5-178.5137.500000116.4
513P43Very low29Very low110 Ų110132.6 Ų132.671%0.71475%0.749SS**  cis-125.2-178.2-10.641.8-27000114.3
514K24.2Very low28.9Very low197 Ų197129.6 Ų129.686%0.85775%0.749SS**  trans31144.4148-67.1174.6179.7-179.20120.6
515A25.6Very low30.1Very low63 Ų63131 Ų13152%0.52174%0.743SS.*  cis178.5-177.6-9.900000107.5
516Y26.7Very low30.3Very low218 Ų218131.4 Ų131.486%0.85574%0.735SS**  trans70.7165167.3-46.2-77000117.1
517D29.5Very low30Very low135 Ų135130 Ų13072%0.72273%0.728SS**  cis-178.9127.2-39.4-176.111.5000108.4
518I27.8Very low30Very low154 Ų154132.9 Ų132.979%0.7973%0.732SS**  trans-152.1106.5168.9-54.9-175.6000111.9
519E35.3Very low30.2Very low132 Ų132135.3 Ų135.362%0.61774%0.738SS**  21.3157123.7-47.6-160.3112.300121.5
520R32.8Very low30.6Very low171 Ų171132.8 Ų132.865%0.64573%0.734SS**  cis-166.3179.5-11.6-111.9-172.7-72.3116.20.7106
521E32.6Very low30.8Very low139 Ų139131 Ų13165%0.6573%0.733SS**  cis-140-1297.9-145.3163.1-87.400108.2
522L30.4Very low30.9Very low156 Ų156131.9 Ų131.982%0.81773%0.732SS**  cis-159.3137.3-4.8-144.8177000108.3
523G25Very low30.8Very low68 Ų68132.6 Ų132.670%0.70172%0.723SS**  trans138.987.8163.800000117
524S24.8Very low30.2Very low119 Ų119134.2 Ų134.283%0.83272%0.721SS**  trans-103.8-167.6172.1-31.10000110.1
525P50Low30.3Very low111 Ų111132.4 Ų132.472%0.72172%0.716SS**  cis-101-152.5-7.745-37.9000111.1
526T30.2Very low30.4Very low110 Ų110136 Ų13668%0.67573%0.726SS**  cis-157.4168.36.524.50000105.9
527D29.1Very low30.7Very low135 Ų135133 Ų13372%0.72272%0.724SS**  cis178.2155.1-19.8-88.32.2000103.6
528E33.3Very low30.4Very low173 Ų173138.1 Ų138.181%0.80873%0.733SS**  cis-164.9-175.4-8.6-116.4-78.646.200108
529D26.4Very low30.5Very low140 Ų140133.9 Ų133.975%0.74973%0.728SS**  trans86.190.3160.7-151.125000119.7
530S32.3Very low30.9Very low106 Ų106133.3 Ų133.374%0.74174%0.735SS**  41.5139.9124-148.40000122.2
531G28.8Very low30.6Very low63 Ų63133.4 Ų133.465%0.64974%0.743SS**  cis161.4163.5-4.300000115
532Q29.6Very low30.5Very low175 Ų175134 Ų13482%0.81875%0.749SS**  trans64.8129155-67.7-171.3-59.800123.8
533D29.1Very low31.1Very low110 Ų110132.1 Ų132.159%0.58875%0.746SS**  87.6112.7128.2-74.730.3000125.4
534Q30.2Very low31.4Very low144 Ų144132.7 Ų132.767%0.67374%0.744SS**  64.4117.8121.4-59.8-1688400123.3
535Q27.8Very low31.6Very low158 Ų158134.3 Ų134.374%0.73874%0.742SS**  trans59.8128.6130.5-66.5-169.3-9.200123.4
536L26.9Very low30.5Very low139 Ų139137 Ų13773%0.72875%0.746SS**  trans77.5126.1136.9-73.7166.3000122.4
537L32.3Very low30.4Very low156 Ų156136.7 Ų136.782%0.81775%0.748SS**  trans82.6152144.3-70.8165.5000121.5
538R24Very low31.4Very low241 Ų241135.1 Ų135.191%0.90975%0.745SS**  trans74.5121.1171.1-80.6-173.5179-177.30.9119.4
539G29.5Very low31.3Very low66 Ų66132 Ų13268%0.6874%0.741SS**  trans-80.4-167.2141.600000111.2
540P44.7Very low31.7Very low119 Ų119133.6 Ų133.677%0.77374%0.744SS**  cis-142.5-154.830.836.4-12.4000114.4
541Q25.8Very low31.8Very low174 Ų174134.1 Ų134.181%0.81375%0.747SS**  trans102.3151.4161.6-57.8-70.929.200119.3
542I31.4Very low31.9Very low151 Ų151133.9 Ų133.977%0.77475%0.745SS**  trans-121.6159-177.1-25.4177000109
543P42.6Very low32.1Very low117 Ų117132.6 Ų132.676%0.7675%0.754SS**  -136.2145.5105.536.7-24.5000111.9
544A30.3Very low32.1Very low79 Ų79131 Ų13165%0.65376%0.763SS**  58130.366.100000112
545L29.4Very low32.3Very low153 Ų153131.1 Ų131.180%0.80177%0.768SS**  cis-131.6-174.222.4-63.4151.4000109.8
546E26.2Very low32.7Very low169 Ų169128.2 Ų128.279%0.7976%0.762SS**  cis-157.116112.7-151.9147.4-122.500112.2
547S29.2Very low33.1Very low103 Ų103128.4 Ų128.472%0.7276%0.763SS**  trans-144.8174.3169.470.90000106.9
548P49.8Very low33.2Very low102 Ų102129.7 Ų129.766%0.66277%0.765SS**  cis-156.3-163.139.143.6-19.8000117.6
549C31.4Very low33.8Very low106 Ų106125.2 Ų125.272%0.71676%0.759SS**  trans77.5151.6150.9-73.10000119.7
550E34.8Very low34.5Very low175 Ų175127.3 Ų127.382%0.81876%0.761SS**  cis-152.2155.38-141166.9137.800114.6
551S34.3Very low33.8Very low116 Ų116127 Ų12781%0.81176%0.761SS**  trans59.1137.1155.5-156.90000121.3
552G30.4Very low34.1Very low59 Ų59124.5 Ų124.561%0.60876%0.762SS**  cis144.6123.5-1300000115.7
553C33.2Very low34.6Very low147 Ų147122.7 Ų122.799%0.99376%0.76SS**  trans64.2153171.1-45.70000116
554G29.4Very low33.8Very low76 Ų76125.3 Ų125.378%0.78476%0.762SS**  cis160.8177.71.300000107.5
555D34.1Very low33.7Very low147 Ų147129.3 Ų129.379%0.78677%0.772SS**  cis-173.7172.5-19.1-165.44.3000106.7
556T36.8Very low34.8Very low98 Ų98127.5 Ų127.560%0.60177%0.769SS**  trans63.6107.6162.760.80000122.2
557D35.1Very low35.7Very low142 Ų142124.4 Ų124.476%0.75976%0.764SS**  77.6167.1111.7-53.2-31.8000125.8
558E34.1Very low35.6Very low184 Ų184129 Ų12986%0.8677%0.765SS**  trans85.593.3169-51.8-66.977.600120
559D37Very low34.5Very low147 Ų147130 Ų13079%0.78677%0.765SS**  trans-83147.9148.5-147.2-20.1000107.9
560P45.1Very low34.5Very low110 Ų110130.4 Ų130.471%0.71477%0.769SS**  -159.3158.485.440.6-20.1000118.7
561S28.8Very low35.1Very low111 Ų111126.9 Ų126.978%0.77676%0.761SS**  trans58.5133.7139-57.60000123.2
562C32.8Very low35.1Very low123 Ų123132.3 Ų132.383%0.83176%0.764SS**  trans-67.5164.9163.1-48.90000112.7
563P41.8Very low35Very low112 Ų112134.9 Ų134.973%0.72777%0.771SS**  -158.6177.38642.3-22.3000118.7
564Q26.5Very low35Very low173 Ų173136 Ų13681%0.80877%0.767SS**  trans62.3108.6146.3-79170.3-17.500123.2
565L28.2Very low35Very low163 Ų163140.3 Ų140.385%0.85377%0.768SS**  36.6176.3111-48.9176.4000121.4
566P51.4Low34.9Very low114 Ų114140.2 Ų140.274%0.7477%0.767SS**  -107.6-138.3-110.737.3-13.8000110
567P44.9Very low34.8Very low105 Ų105141.2 Ų141.268%0.68277%0.773SS**  cis-133-166.1-18.929.6-4.6000113.6
568R26.8Very low34.5Very low199 Ų199142.6 Ų142.675%0.75178%0.78SS**  trans129.5117.9141.5-74.1-80.1164.6-166.9-5.4118
569D28.4Very low34.4Very low122 Ų122137.4 Ų137.465%0.65276%0.763SS**  trans59.4109.2134.1-55-7.8000122.6
570S30.2Very low34.1Very low116 Ų116138.9 Ų138.981%0.81177%0.766SS**  -6160.5127.5-127.30000118.9
571P48.9Very low33.4Very low100 Ų100139.1 Ų139.165%0.64977%0.77SS**  cis-140.3174.28.134-11.6000117.4
572R32.7Very low33.3Very low231 Ų231141.1 Ų141.187%0.87277%0.772SS**  trans29.7132.4146.9-60.1170.5176.3156.6-1.4120.8
573C29.8Very low34.3Very low113 Ų113139.9 Ų139.976%0.76476%0.763SS**  166.3161.9105.6-930000116.2
574L32.1Very low33.8Very low171 Ų171140.1 Ų140.190%0.89576%0.762SS**  trans80.2157.5162-52.2-165.2000120.4
575M29.7Very low34Very low165 Ų165140.8 Ų140.881%0.81376%0.762SS**  trans-138.9144.3-174.1-80.5-153.5-50.100110.6
576L32.5Very low34.2Very low145 Ų145136.4 Ų136.476%0.75976%0.757SS**  trans60.9158.3151.3-58.1167.5000116.6
577T34Very low33.8Very low119 Ų119138.9 Ų138.973%0.7376%0.756SS**  cis-161.2167.1-6.18.50000108.8
578L28.9Very low34.1Very low172 Ų172143.2 Ų143.290%0.90176%0.764SS**  trans169.3147.6152.1-91.6159.9000107.4
579S31.6Very low34.8Very low74 Ų74138.7 Ų138.752%0.51776%0.763SS.*  cis-169.4166.1-5.6680000112.3
580Q31.9Very low35.1Very low179 Ų179140.8 Ų140.884%0.83677%0.767SS**  trans71.2145.5158.7-66.116893.800117.6
581S30.4Very low35.4Very low114 Ų114142 Ų14280%0.79776%0.759SS**  cis-160.3156.5-8.447.20000112.4
582D26.5Very low34.9Very low153 Ų153144.2 Ų144.282%0.81876%0.761SS**  trans-120.4179.9-179.4-149.129.2000108.7
583P53.8Low35.2Very low98 Ų98137.6 Ų137.664%0.63675%0.747SS**  cis-145.5-178.615.545.7-26.2000118.8
584T31.4Very low35.5Very low117 Ų117139.3 Ų139.372%0.71875%0.747SS**  -173.9128.2119.721.50000115.2
585F30.6Very low35.5Very low186 Ų186136.1 Ų136.182%0.81674%0.735SS**  trans44.1121.1156.3-78.7-111.6000120.9
586G32.2Very low35.7Very low72 Ų72134.1 Ų134.174%0.74273%0.732SS**  cis139.9163.3-13.400000116.1
587K41.7Very low35.9Very low166 Ų166134.3 Ų134.372%0.72273%0.729SS**  trans101.1105.6157.7-65.2173.6178.9169.20120.9
588K51.4Low36.1Very low195 Ų195135 Ų13585%0.84873%0.727SS**  trans58.7146.1145.545.8163.5-179.5161.10119.7
589S42Very low36.4Very low104 Ų104132.8 Ų132.873%0.72773%0.725SS**  cis-150.8141.713.610.10000110.6
590F35.1Very low36.7Very low166 Ų166132.7 Ų132.773%0.72874%0.735SS**  67.8130.887.6-152.3-115.3000112.6
591E36Very low36.9Very low141 Ų141127.7 Ų127.766%0.65972%0.717SS**  cis-145.7140.519.1-158.1165.1-167.900107.6
592Q39.7Very low37.3Very low148 Ų148125.7 Ų125.769%0.69271%0.708SS**  55.9136.375.9-95.6-152.3-88.100113.8
593T37.6Very low37.7Very low91 Ų91122.1 Ų122.156%0.55871%0.707SS**  cis-172.6164.4-3.3-6.60000114
594L36.9Very low36.9Very low149 Ų149125.7 Ų125.778%0.7872%0.72SS**  trans67.7162.9150-60.6166.5000117.6
595T31.8Very low37.6Very low105 Ų105126.1 Ų126.164%0.64472%0.722SS**  cis-175.2162-12.929.60000112.1
596V34.8Very low38.4Very low122 Ų122122.8 Ų122.874%0.73972%0.72SS**  trans66.3145.7138.4160.50000117.6
597E35.8Very low38.9Very low149 Ų149124.9 Ų124.970%0.69672%0.72SS**  cis-163.1173.1-12.6-117.3-172.7131.400110.9
598L38.6Very low38.5Very low133 Ų133122.6 Ų122.670%0.69672%0.72SS**  trans56113.1146-66.6164000122.9
599C34.7Very low38.1Very low127 Ų127119.3 Ų119.386%0.85872%0.717SS**  33123.2127.1-54.60000122.1
600G37.4Very low38Very low71 Ų71120 Ų12073%0.73272%0.719SS**  trans-172.543.7174.100000122.9
601T35.9Very low38.1Very low74 Ų74118.2 Ų118.245%0.45472%0.724SS.*  trans41.8114.4138.760.30000124.2A676 S677T601-A676 HydrophobicContact CG2-CB 4.15Å; T601-A676 VanDerWaalsContact OG1-CB 3.26Å; T601-A676 WeakPolarHBondContact OG1-CB 3.22Å; T601-S677 WeakPolarHBondContact CG2-OG 3.34Å
602A38.7Very low38Very low73 Ų73121.7 Ų121.760%0.60373%0.732SS**  trans50.7133.314400000123.5
603G34.8Very low38.2Very low78 Ų78123 Ų12380%0.80474%0.736SS**  trans-176.5160.3168.800000112.2
604L37.3Very low38.5Very low173 Ų173124.9 Ų124.991%0.90675%0.75SS**  trans-100.8166.3-174.9-69.3168.8000113.8
605T47.4Very low38.4Very low125 Ų125124.1 Ų124.177%0.76775%0.752SS**  trans-42.4158.5166.751.80000114.5
606P46.6Very low38.7Very low116 Ų116127.9 Ų127.975%0.75376%0.762SS**  cis-141-1523443-20.6000111.8
607P43.3Very low38.9Very low116 Ų116130.5 Ų130.575%0.75377%0.766SS**  cis-134.7-167.5-3.544.5-25.3000116.6
608T33Very low38.9Very low118 Ų118130 Ų13072%0.72477%0.768SS**  trans-71.8173.6-178.449.20000116.2
609T43.8Very low39.4Very low127 Ų127127.6 Ų127.678%0.77976%0.76SS**  trans69.7125.7164.251.60000118.5
610P38.3Very low39.4Very low119 Ų119130.8 Ų130.877%0.77376%0.76SS**PPolyproline II helixtrans-81.7145.7172.333.9-34000112.1
611P38.4Very low39.5Very low128 Ų128135 Ų13583%0.83176%0.758SS**PPolyproline II helixtrans-83.7149178.733.3-34.8000113.2
612Y32.5Very low39.6Very low213 Ų213137.6 Ų137.684%0.83578%0.776SS**PPolyproline II helixtrans-87.7140.4171.2-107.4-109.3000112.1
613K44.4Very low39.1Very low175 Ų175138.7 Ų138.776%0.76177%0.772SS**  trans9.8148.9153.7-54.7-173178.5-170.10120.9
614P44.3Very low39Very low131 Ų131143 Ų14385%0.85178%0.775SS**  -119.4177.2128.437-31.5000113.4
615T34.9Very low38.6Very low134 Ų134141.8 Ų141.882%0.82276%0.762SS**  trans-121.8151-174.9-49.10000109.7
616E38.3Very low37.7Very low184 Ų184143.9 Ų143.986%0.8676%0.763SS**  trans-141.1153.3161.8-156158.2-153.400111.1
617E38.3Very low36.8Very low177 Ų177142.9 Ų142.983%0.82776%0.759SS**  trans-81.9-173.1-151.3-53.7177.3141.100113.1
618D36.7Very low36Very low139 Ų139145.2 Ų145.274%0.74376%0.764SS**  cis-165.4-168.418.8-161.628.7000106.3
619P49.4Very low35.7Very low82 Ų82142.8 Ų142.853%0.53276%0.762SS.*  cis-121.1-169.1-25.97.219.4000115.7
620F33.1Very low35.2Very low194 Ų194144.6 Ų144.685%0.85176%0.76SS**  trans98.881.8160-61.7-70.8000119
621K39.2Very low34.6Very low160 Ų160146 Ų14670%0.69676%0.755SS**  trans-63.3164.5144.4-74.6-179.4160.7-1640112D623K621-D623 WeakPolarHBondContact CD-OD1 3.25Å; K621-D623 WeakPolarHBondContact CE-OD1 3.42Å; K621-D623 IonicContact NZ-OD1 3.77Å; K621-D623 PolarHBondContact NZ-OD1 2.84Å; K621-D623 IonicContact NZ-OD2 2.71Å
622P39.8Very low34Very low127 Ų127147.3 Ų147.383%0.82575%0.754SS**  -118.6144.2107.433.7-34000113.5
623D26.8Very low33.5Very low96 Ų96142.6 Ų142.651%0.51375%0.747SS.*  trans-74.5137.2176.1-94.5-8.1000111.6K621K621-D623 WeakPolarHBondContact CD-OD1 3.25Å; K621-D623 WeakPolarHBondContact CE-OD1 3.42Å; K621-D623 IonicContact NZ-OD1 3.77Å; K621-D623 PolarHBondContact NZ-OD1 2.84Å; K621-D623 IonicContact NZ-OD2 2.71Å
624I32.4Very low32.6Very low169 Ų169141 Ų14187%0.86775%0.746SS**  trans-124.4125.1151.7-60.5-179000107.8
625K30.7Very low31.6Very low148 Ų148141.4 Ų141.464%0.64374%0.741SS**  trans-115.4159.5176.5-62.2-177.6-179.4176.90110.6
626H28.6Very low31.3Very low168 Ų168141.9 Ų141.978%0.77874%0.738SS**  trans69.2157162.2-63.5-67.7000117.8
627S26.7Very low30.8Very low96 Ų96139.3 Ų139.367%0.67174%0.737SS**  172.3144.9-55.9500000109.8
628L26.7Very low30.6Very low164 Ų164135.3 Ų135.386%0.85973%0.729SS**  trans75.1120.3154.2-155.278.9000118.6
629G26.3Very low31.2Very low67 Ų67134 Ų13469%0.69173%0.728SS**  trans154.898.1166.400000111
630K32.7Very low30.1Very low166 Ų166139 Ų13972%0.72274%0.744SS**  84124.260.4-77.3-168.4160.5-119.40113.3
631E25.9Very low29.9Very low147 Ų147133.1 Ų133.169%0.68774%0.738SS**  cis-121.6-100.6-4.9-60.9-158.115600113.7
632I26.1Very low29.4Very low157 Ų157133.9 Ų133.981%0.80575%0.749SS**  cis-155.6173.5-1.7-160161.2000111
633V22Very low28.8Very low113 Ų113133.2 Ų133.269%0.68575%0.747SS**  trans-82.5148.8-172.3-135.30000111.7
634L26.1Very low28.8Very low141 Ų141136.2 Ų136.274%0.73876%0.762SS**  -175.8155.380.2-92.3177.5000115.2
635N23.8Very low28.5Very low141 Ų141137.7 Ų137.775%0.75476%0.763SS**  trans72.8112146.3-67.7-16.2000123.3
636L28.3Very low28.7Very low144 Ų144134.6 Ų134.675%0.75477%0.765SS**  trans-64.3168.3148-144.674000111
637P28.4Very low29.4Very low130 Ų130133.3 Ų133.384%0.84477%0.769SS**  -139.8134.590.435.7-21.3000116.2
638S33.5Very low30.3Very low93 Ų93135 Ų13565%0.6578%0.781SS**  trans-94.3-172.6150.1-141.20000106.7
639P49Very low30.9Very low110 Ų110130.6 Ų130.671%0.71478%0.775SS**  cis-124.5-145.61.535.7-11.7000111.6
640E26.5Very low31.9Very low188 Ų188132.2 Ų132.288%0.87978%0.781SS**  -154.3166.552.9-66.4-175.8121.400111.5
641G28Very low32.4Very low71 Ų71128.6 Ų128.673%0.73278%0.783SS**  trans133.662.8156.100000120.2
642L29.9Very low32.7Very low175 Ų175130.6 Ų130.692%0.91679%0.792SS**  trans53.8118.9149.5-57.6173.7000120.6
643S26.1Very low33.1Very low113 Ų113132.3 Ų132.379%0.7979%0.793SS**  trans-83.7132.1148.574.80000110.2
644L27.9Very low33.8Very low159 Ų159134.8 Ų134.883%0.83280%0.802SS**  trans-172.2115.8151.7-110.2162.6000112.9
645K25.7Very low34.6Very low201 Ų201133.2 Ų133.287%0.87480%0.8SS**  trans69.9160.5155.5-142.3167.5-175.1175.10117.3
646A35.1Very low35Very low83 Ų83135.6 Ų135.669%0.68680%0.804SS**SBendtrans-65.3155.8171.200000110.4
647T43.6Very low35.1Very low140 Ų140137.9 Ų137.986%0.85981%0.807SS**SBendcis-143.960.636.351.60000114.1
648S44.5Very low35.4Very low132 Ų132139.4 Ų139.492%0.92380%0.803SS**  trans-164.3169.5172.8-168.80000111.6
649G39Very low36.2Very low71 Ų71140.7 Ų140.773%0.73281%0.809SS**  trans155.1144.9171.400000113.8
650A48.5Very low35.8Very low101 Ų101143.2 Ų143.284%0.83581%0.811SS**  trans-145.1158.2-17200000115.1
651A43Very low36.2Very low90 Ų90145.7 Ų145.774%0.74481%0.812SS**  trans61.4128.7160.200000120.5
652H30.9Very low36.6Very low189 Ų189146.4 Ų146.488%0.87581%0.807SS**  -168.6-171.8114.1-106.3-77.2000110.8
653K35.2Very low36.9Very low194 Ų194147.5 Ų147.584%0.84381%0.807SS**  trans-98.3161.5-166.7-59.8-169.3177.4-1710114.4
654L36.4Very low37.2Very low165 Ų165149.9 Ų149.986%0.86481%0.81SS**  trans13.9132139.8-149.273.5000116.6
655P43.8Very low37.6Very low107 Ų107149.5 Ų149.570%0.69581%0.808SS**  -163.2-179.953.446.2-24000121
656K31.6Very low37.9Very low192 Ų192145.2 Ų145.284%0.83580%0.803SS**  trans27.2138.3141.6-73.1-179.4174.6175.90125.1
657K30.2Very low37.8Very low191 Ų191148.5 Ų148.583%0.8380%0.804SS**  trans104.9127133.2-89.2-178174.4-165.70123.1
658H34.8Very low37.2Very low163 Ų163148 Ų14876%0.75580%0.795SS**  trans6.9153.6138.6-97.3-97.6000121.9
659P49.4Very low36.8Very low120 Ų120151 Ų15178%0.77979%0.786SS**  -148.9-1647042.1-21.5000117.8
660E40.7Very low36.8Very low162 Ų162155.7 Ų155.776%0.75779%0.789SS**  trans-107.7165.1-160.5-43.6127129.300116.6
661R36Very low35.8Very low240 Ų240154.8 Ų154.891%0.90678%0.781SS**  trans165.1175.1144.9-93.4176.5169.3129.20.9111.6
662S36.8Very low35.2Very low87 Ų87157.1 Ų157.161%0.60879%0.786SS**  173.9132.4-61.2590000110.6
663E35.4Very low35.1Very low198 Ų198153.2 Ų153.293%0.92579%0.787SS**  trans-175.5134.7154.2-108158.5-140.500118.5
664L31.8Very low34.6Very low162 Ų162151.4 Ų151.485%0.84878%0.781SS**  trans-13.6121.4162.2-56.2171.1000125.5
665L36.3Very low34.6Very low152 Ų152149.2 Ų149.280%0.79678%0.777SS**  48.3123.7118.9-136.179.9000125.3
666S32.4Very low33.9Very low110 Ų110145.7 Ų145.777%0.76976%0.757SS**  trans-169.1179.7153.658.90000113.7
667H34.4Very low34Very low152 Ų152140 Ų14070%0.70474%0.742SS**  -158.4144.8-66.6-90.9132.2000115.1
668L30.4Very low34Very low130 Ų130139.8 Ų139.868%0.68174%0.744SS**  trans67.2105.3150-90.369.1000125.4
669R34.8Very low33.8Very low194 Ų194136.4 Ų136.473%0.73274%0.744SS**  90.8123.3113.9-78.8177.6-169.8-173.65.1127
670H39.4Very low32.9Very low171 Ų171134 Ų13479%0.79274%0.741SS**  trans74.6148.9140.8-56.1-40.8000120.2
671A28.6Very low32.6Very low81 Ų81133.7 Ų133.767%0.66974%0.739SS**  cis-156.5151.515.200000117.2
672T29.6Very low32.5Very low139 Ų139130.8 Ų130.885%0.85373%0.733SS**  trans42.3130.7142.8580000126.3
673A28.3Very low32.3Very low107 Ų107136.6 Ų136.688%0.88474%0.742SS**  140.8160.1121.600000118.1
674Q24.7Very low32.7Very low156 Ų156132.2 Ų132.273%0.72973%0.731SS**  trans-87.5172.6-175.7-85.1-86.6-29.500112.9
675P38Very low32.5Very low119 Ų119132.9 Ų132.977%0.77373%0.727SS**  cis-148.6159.13343.6-22.2000122.8
676A28.1Very low32.6Very low33 Ų33130.8 Ų130.827%0.27373%0.725SS.*  trans12.2144.9138.600000126.3T601T601-A676 HydrophobicContact CG2-CB 4.15Å; T601-A676 VanDerWaalsContact OG1-CB 3.26Å; T601-A676 WeakPolarHBondContact OG1-CB 3.22Å
677S32.9Very low33.1Very low73 Ų73131.9 Ų131.951%0.5173%0.731SS.*  trans84.1147.9151.9-21.80000118T601T601-S677 WeakPolarHBondContact CG2-OG 3.34Å
678Q31.8Very low33.2Very low187 Ų187129.2 Ų129.287%0.87473%0.73SS**  cis-129161.1-5.4-74.7-178.8-13.800108.2
679A30.8Very low33.5Very low92 Ų92133.1 Ų133.176%0.7674%0.742SS**  cis126.7115.4-1.700000112.2
680G30.6Very low33.5Very low70 Ų70127.4 Ų127.472%0.72274%0.744SS**  trans97.4145.4170.200000115.6
681Q34Very low33.8Very low154 Ų154126 Ų12672%0.7274%0.742SS**  cis-145.9148.3-4.5-80.5-81.8-62.300110.8
682K34.5Very low34.6Very low179 Ų179130.4 Ų130.478%0.77875%0.748SS**  trans60.5103.3141.6-74.4171.5178.2150.10122.4
683R31.9Very low35.8Very low209 Ų209129.8 Ų129.879%0.78974%0.74SS**  -42.3163.8120.5-74.6-173.3-161.8157.92.8112.7
684P43.8Very low36.2Very low107 Ų107135 Ų13570%0.69574%0.738SS**  cis-139.6176.829.827.2-1.6000118.4
685F27.8Very low37Very low176 Ų176132.8 Ų132.877%0.77274%0.739SS**  trans4.8149.1142.3-43.5-56.6000118.7
686S37.2Very low36.9Very low108 Ų108135.8 Ų135.876%0.75574%0.742SS**  cis-136.5175.137.158.30000116.3
687C43.5Very low37.1Very low132 Ų132139.9 Ų139.989%0.89276%0.764SS**  trans-130.9117.7166.3169.90000107.2
688S37.1Very low37.1Very low97 Ų97144.7 Ų144.768%0.67878%0.783SS**  trans-164.5140.7171.749.90000111.8
689F35.8Very low37Very low211 Ų211146.4 Ų146.493%0.92578%0.781SS**  trans-9.8153.4155.5-76.4-101.8000120.5
690G36.1Very low37.8Very low75 Ų75146.5 Ų146.577%0.77377%0.774SS**  trans176.495.7160.900000111.6
691D44.5Very low37.9Very low140 Ų140151.9 Ų151.975%0.74978%0.78SS**  trans-71.9159.4155.5-69.3-59.2000109.1
692H46.6Very low37.9Very low174 Ų174147.6 Ų147.681%0.80678%0.778SS**  176.1158.3117.6-89.5-55.1000112
693D55.3Low37.9Very low126 Ų126145 Ų14567%0.67478%0.777SS**  trans-69.3168.2178.4-49.7-97.8000112.6
694Y36.4Very low38.1Very low216 Ų216140.6 Ų140.685%0.84777%0.768SS**  -172.8145.4101.8-102.6-68.6000113.1
695C39.9Very low37.5Very low111 Ų111143.6 Ų143.675%0.7577%0.773SS**  trans-96.4134.7162.8-650000109.8
696Q36.4Very low37.8Very low181 Ų181144.1 Ų144.185%0.84677%0.77SS**  trans-124.2118.6149.2-63.4-174.27.900105.7
697V32Very low37.6Very low120 Ų120149.2 Ų149.273%0.72778%0.778SS**  64.584.659.1-173.40000110.9
698L32.8Very low37.3Very low174 Ų174149.1 Ų149.191%0.91177%0.774SS**PPolyproline II helixtrans-97.8136.2158.9-70.8172.2000108.9
699R31.1Very low37.1Very low223 Ų223151.9 Ų151.984%0.84278%0.78SS**PPolyproline II helixtrans-98.9153.4170.8-77.8-90.3-72.3167.91109.5
700P47.3Very low36.8Very low93 Ų93152.5 Ų152.560%0.60478%0.776SS**PPolyproline II helixtrans-87.3149179.735.6-34.7000112.5
701E32.4Very low36.6Very low183 Ų183153 Ų15386%0.85577%0.768SS**  -169.6171.2115.8-138.760-109.200109
702G34Very low35.6Very low65 Ų65158.1 Ų158.167%0.6778%0.777SS**  trans-87.4-148.9-171.400000116.2
703V34.2Very low34.7Very low124 Ų124157.7 Ų157.775%0.75278%0.775SS**  cis-154.9174.17.1-169.10000109.4
704L35.2Very low33.9Very low117 Ų117156.8 Ų156.861%0.61378%0.776SS**  trans86.3149169-54.8174.8000115.4
705Q32.3Very low33.6Very low170 Ų170152.1 Ų152.179%0.79478%0.775SS**  cis-101.7160.69.3-92-69.4-4.900115.6
706R34.3Very low33Very low187 Ų187150 Ų15071%0.70677%0.772SS**  trans-102.7144173.9-60.4174.8178.7112.6-4.6110.1
707K32.7Very low32.5Very low214 Ų214148.2 Ų148.293%0.9377%0.773SS**  trans-122.692.9150.3-82-171.3178.1177.70109.8
708V37.6Very low32.1Very low131 Ų131150 Ų15079%0.79477%0.774SS**  trans-139.5124.7166.9174.50000107.2
709L32.9Very low31.7Very low154 Ų154147.6 Ų147.681%0.80676%0.761SS**  trans-159.696.6156.7-124.4177000113
710R29.8Very low31.7Very low224 Ų224143.9 Ų143.985%0.84575%0.753SS**  trans160.796.1133.3-87163.9-174.2-127.1-0.4109.3
711S31.1Very low30.7Very low87 Ų87145.4 Ų145.461%0.60876%0.756SS**  81.1107.669.370.80000114.5
712W24.1Very low30.3Very low247 Ų247146.3 Ų146.394%0.93675%0.752SS**  -173.1146.6108.8-141.8-74.9000111.7
713E26.8Very low30.7Very low165 Ų165148.2 Ų148.277%0.77175%0.752SS**  trans-145.5164.3168.8-120.1-159.1-162.200108.4
714P38.4Very low30.4Very low107 Ų107149.3 Ų149.370%0.69575%0.749SS**  cis-133.6-169.5-438.4-18.8000114
715S29.5Very low30Very low118 Ų118152.6 Ų152.683%0.82576%0.762SS**  trans-72.6165.1156.754.20000111.1
716G28.5Very low29.5Very low67 Ų67148.3 Ų148.369%0.69176%0.762SS**  cis158.6135.1-0.700000109.2
717V25.7Very low29Very low142 Ų142144 Ų14486%0.86177%0.767SS**  trans-137.9108.5-159.8-176.20000114.6
718H23.5Very low29.6Very low159 Ų159139.5 Ų139.574%0.73676%0.76SS**  trans77.9103.3135-153.4-104.6000123.5
719L25.2Very low29.1Very low122 Ų122142.5 Ų142.564%0.63976%0.757SS**  84.5119.7122.5-144.293000124.3
720E29.7Very low28.9Very low146 Ų146138.7 Ų138.768%0.68275%0.748SS**  120139.7121.3-128.63696.500125.9
721D26.6Very low28.7Very low124 Ų124134.6 Ų134.666%0.66374%0.738SS**  trans89.5101.4139.5-110.5-5.9000125.4
722W23.9Very low28.5Very low202 Ų202134.3 Ų134.377%0.76574%0.741SS**  65.8168.4126.7-117.1-148.3000122.1Q724W722-Q724 VanDerWaalsContact CE2-N 3.31Å
723P41.8Very low28.6Very low106 Ų106132 Ų13269%0.68874%0.741SS**  cis-134.6141.73236.7-14.6000122.1
724Q29.2Very low28.7Very low146 Ų146129.3 Ų129.368%0.68274%0.74SS**  trans71.9153.2141.2-63.9174.41.300119W722W722-Q724 VanDerWaalsContact CE2-N 3.31Å
725Q25.5Very low28.8Very low187 Ų187130.3 Ų130.387%0.87475%0.746SS**  cis-162147.632.8-162.4177.532.900113
726G23.6Very low28.6Very low79 Ų79128.3 Ų128.381%0.81474%0.744SS**  trans137.7118.8158.900000118.8
727A22.9Very low28.8Very low98 Ų98134.8 Ų134.881%0.8175%0.748SS**  trans-151.1179.1172.300000108.3
728P46.1Very low29Very low119 Ų119133.5 Ų133.577%0.77373%0.733SS**  cis-128.4-153.5634.7-9.3000111.5
729R25.7Very low29.4Very low193 Ų193134.4 Ų134.473%0.72874%0.737SS**  cis-168.7162.316.9-155.2-165.2145.5171.8-8.9112.3E731R729-E731 IonicContact CZ-OE1 3.95Å; R729-E731 IonicContact CZ-OE2 3.65Å; R729-E731 IonicContact NE-OE1 2.68Å; R729-E731 PolarHBondContact NE-OE1 3.44Å; R729-E731 IonicContact NE-OE2 2.84Å; R729-E731 IonicContact NH2-OE1 3.71Å; R729-E731 PolarHBondContact NH2-OE1 3.39Å; R729-E731 IonicContact NH2-OE2 3.08Å; R729-E731 PolarHBondContact NH2-OE2 2.91Å
730A28.6Very low29.6Very low74 Ų74135 Ų13561%0.61274%0.741SS**  trans73.3157.1142.600000120.8
731E26.8Very low29.8Very low139 Ų139138.6 Ų138.665%0.6575%0.748SS**  cis177.9135.7-31.4-95134.1-120.700105.4R729R729-E731 IonicContact CZ-OE1 3.95Å; R729-E731 IonicContact CZ-OE2 3.65Å; R729-E731 IonicContact NE-OE1 2.68Å; R729-E731 PolarHBondContact NE-OE1 3.44Å; R729-E731 IonicContact NE-OE2 2.84Å; R729-E731 IonicContact NH2-OE1 3.71Å; R729-E731 PolarHBondContact NH2-OE1 3.39Å; R729-E731 IonicContact NH2-OE2 3.08Å; R729-E731 PolarHBondContact NH2-OE2 2.91Å
732A27.2Very low29.9Very low81 Ų81138.6 Ų138.667%0.66976%0.758SS**  cis-169.7179.9-19.800000110.3
733Q26.1Very low30.2Very low199 Ų199135.3 Ų135.393%0.9376%0.764SS**  trans89.4143.8153.6-62.5167.615.600123.8
734S28.1Very low29.5Very low108 Ų108134.3 Ų134.376%0.75577%0.773SS**  trans-119.5170.7166.859.70000110.6
735P41.3Very low29.7Very low127 Ų127132.6 Ų132.683%0.82578%0.784SS**  -148.7154.8107.736.5-19.3000114.5
736G25.6Very low29.9Very low76 Ų76127.6 Ų127.678%0.78478%0.782SS**  101.4159.990.300000111.4
737R31.8Very low30.4Very low204 Ų204128.4 Ų128.477%0.7778%0.782SS**  cis-158.4127.4-7.2-103.8-173.4146.1-116.6-17.1107.2
738E29.7Very low31.2Very low115 Ų115129.5 Ų129.554%0.53778%0.78SS.*  87.3127.4101.7-74.8173.5-158.400118.4
739E32.1Very low31.1Very low177 Ų177129 Ų12983%0.82778%0.777SS**  trans60.2155.7146.3-57.8178.5156.200119.8
740D29.3Very low31.6Very low134 Ų134129.3 Ų129.372%0.71778%0.783SS**  cis-146.4-178.113.9-167.812.8000112.6
741R34.4Very low32.3Very low223 Ų223133.4 Ų133.484%0.84280%0.795SS**  trans-49.8154.3-176.4-67.9152.9159.5160.8-5.9119.5
742S27.5Very low33.4Very low124 Ų124132.2 Ų132.287%0.86780%0.802SS**  -169.7168.7110.3-161.20000112.7
743C31.8Very low34.6Very low133 Ų133136.7 Ų136.790%0.89981%0.812SS**  trans-107.4153-176.1-57.50000113.4
744G26.6Very low36Very low84 Ų84135.6 Ų135.687%0.86681%0.811SS**  trans-170.7146.6171.100000111.3
745A34.1Very low37.6Very low111 Ų111134.9 Ų134.992%0.91780%0.798SS**  trans-111.5153.8-168.500000114
746G28.5Very low39Very low81 Ų81138 Ų13884%0.83579%0.793SS**  trans149.4104.6169.100000113.9
747A34Very low41.4Very low97 Ų97139.4 Ų139.480%0.80278%0.783SS**  trans-90.9160.7168.500000110.7
748P40.2Very low43.6Very low120 Ų120136.3 Ų136.378%0.77978%0.777SS**  -135.7162.686.836.7-24000114.3
749P44.3Very low46.1Very low108 Ų108134.9 Ų134.970%0.70177%0.77SS**  trans-82157.9-168.133.3-37.1000114.7
750K36Very low48.5Very low200 Ų200130.2 Ų130.287%0.8775%0.75SS**  trans-145.667.6167.6-73.6-167176.3-177.50111.1S752K750-S752 PolarHBondContact O-N 3.24Å
751D42Very low51.1Low161 Ų161130.3 Ų130.386%0.86174%0.741SS**  trans-80.6103.1174.4-69-29.8000110.7
752S50.1Low52.8Low114 Ų114122.1 Ų122.180%0.79772%0.72SS**  trans-136.744.5166.276.50000111.1K750K750-S752 PolarHBondContact O-N 3.24Å
753M53.8Low55.1Low175 Ų175118.9 Ų118.986%0.86270%0.698SS**  trans-83.4132.5164.3-76.4-167.1171.500109.1L755M753-L755 PolarHBondContact O-N 2.91Å
754L53.9Low57.1Low175 Ų175116.8 Ų116.892%0.91668%0.677SS**  trans-72.693.6174.4-68.2171.4000108.8
755L62.1Low59.5Low93 Ų93116.3 Ų116.349%0.48766%0.658SS.*  trans-53.1141.4176.7-67.2-179.7000111M753 E759 I760M753-L755 PolarHBondContact O-N 2.91Å; L755-E759 HydrophobicContact CB-CB 4.19Å; L755-E759 HydrophobicContact CD2-CB 4.17Å; L755-I760 HydrophobicContact CB-CD1 4.48Å; L755-I760 HydrophobicContact CB-CG1 3.85Å
756R71.9Confident61.7Low193 Ų193119.7 Ų119.773%0.72865%0.651SS**  trans-75.5152.9173.5-57.7-69.4-78172.6-4.7109.2H758 E759 I760R756-H758 PolarHBondContact O-N 2.82Å; R756-E759 WeakPolarHBondContact CB-OE2 3.13Å; R756-E759 PolarHBondContact N-OE2 3.33Å; R756-E759 WeakPolarHBondContact O-CA 3.24Å; R756-E759 WeakPolarHBondContact O-CB 3.26Å; R756-E759 PolarHBondContact O-N 2.98Å; R756-I760 PolarHBondContact O-N 3.47Å; R756-I760 VanDerWaalsContact O-N 3.1Å
757D75.9Confident63.5Low106 Ų106123.1 Ų123.157%0.56765%0.645SS**Hα-helixtrans-45.3-36.2-179-133.760.7000114.9R761D757-R761 VanDerWaalsContact O-CZ 3.3Å; D757-R761 PolarHBondContact O-N 2.88Å; D757-R761 PolarHBondContact O-NH1 3.26Å; D757-R761 IonicContact OD2-CZ 3.17Å; D757-R761 VanDerWaalsContact OD2-CZ 3.26Å; D757-R761 IonicContact OD2-NH1 3.47Å; D757-R761 PolarHBondContact OD2-NH1 3.42Å; D757-R761 IonicContact OD2-NH2 3.62Å; D757-R761 PolarHBondContact OD2-NH2 3.12Å
758H77.1Confident65.4Low139 Ų139126.7 Ų126.764%0.64464%0.643SS**Hα-helixtrans-66.6-44174.1160.239.3000113.3R756 R761 A762R756-H758 PolarHBondContact O-N 2.82Å; H758-R761 PolarHBondContact O-N 3.05Å; H758-A762 WeakPolarHBondContact O-CB 3.45Å; H758-A762 PolarHBondContact O-N 3.22Å
759E83.1Confident65.9Low85 Ų85123.1 Ų123.140%0.39763%0.628SS.*Hα-helixtrans-72-34.7-178.3-61.5163.7142.400110.5L755 R756 A762 S763L755-E759 HydrophobicContact CB-CB 4.19Å; L755-E759 HydrophobicContact CD2-CB 4.17Å; R756-E759 WeakPolarHBondContact CB-OE2 3.13Å; R756-E759 PolarHBondContact N-OE2 3.33Å; R756-E759 WeakPolarHBondContact O-CA 3.24Å; R756-E759 WeakPolarHBondContact O-CB 3.26Å; R756-E759 PolarHBondContact O-N 2.98Å; E759-A762 PolarHBondContact O-N 3.31Å; E759-S763 VanDerWaalsContact O-CB 3.25Å; E759-S763 WeakPolarHBondContact O-CB 3.31Å; E759-S763 PolarHBondContact O-N 2.83Å
760I81.1Confident66Low78 Ų78124.1 Ų124.140%0.463%0.627SS.*Hα-helixtrans-62.1-49.4171.2-59.7175000110L755 R756 A762 S763 L764L755-I760 HydrophobicContact CB-CD1 4.48Å; L755-I760 HydrophobicContact CB-CG1 3.85Å; R756-I760 PolarHBondContact O-N 3.47Å; R756-I760 VanDerWaalsContact O-N 3.1Å; I760-A762 PolarHBondContact O-N 2.8Å; I760-S763 PolarHBondContact O-N 3.38Å; I760-L764 HydrophobicContact CG2-CD1 4.01Å; I760-L764 WeakPolarHBondContact O-CG 3.43Å; I760-L764 PolarHBondContact O-N 2.99Å
761R83.9Confident66.7Low137 Ų137123.2 Ų123.252%0.51763%0.631SS.*Hα-helixtrans-58.5-47.8174.7-81.1-174.2-76.3-77.43.1112.3D757 H758 S763 L764 T765D757-R761 VanDerWaalsContact O-CZ 3.3Å; D757-R761 PolarHBondContact O-N 2.88Å; D757-R761 PolarHBondContact O-NH1 3.26Å; D757-R761 IonicContact OD2-CZ 3.17Å; D757-R761 VanDerWaalsContact OD2-CZ 3.26Å; D757-R761 IonicContact OD2-NH1 3.47Å; D757-R761 PolarHBondContact OD2-NH1 3.42Å; D757-R761 IonicContact OD2-NH2 3.62Å; D757-R761 PolarHBondContact OD2-NH2 3.12Å; H758-R761 PolarHBondContact O-N 3.05Å; R761-S763 VanDerWaalsContact C-N 3.33Å; R761-S763 PolarHBondContact O-N 3Å; R761-L764 PolarHBondContact O-N 2.91Å; R761-T765 PolarHBondContact O-N 3.28Å; R761-T765 PolarHBondContact O-OG1 2.95Å
762A70.5Confident66.8Low50 Ų50123.1 Ų123.141%0.41363%0.625SS.*Hα-helixtrans-62.2-39.1178.900000112.7H758 E759 I760 K766H758-A762 WeakPolarHBondContact O-CB 3.45Å; H758-A762 PolarHBondContact O-N 3.22Å; E759-A762 PolarHBondContact O-N 3.31Å; I760-A762 PolarHBondContact O-N 2.8Å; A762-K766 VanDerWaalsContact O-CB 3.29Å; A762-K766 WeakPolarHBondContact O-CB 3.39Å; A762-K766 PolarHBondContact O-N 3.42Å
763S76.6Confident66.5Low56 Ų56123.9 Ų123.939%0.39263%0.625SS.*Hα-helixtrans-66.9-41.5176.4-165.30000111.9E759 I760 R761 K766 H767E759-S763 VanDerWaalsContact O-CB 3.25Å; E759-S763 WeakPolarHBondContact O-CB 3.31Å; E759-S763 PolarHBondContact O-N 2.83Å; I760-S763 PolarHBondContact O-N 3.38Å; R761-S763 VanDerWaalsContact C-N 3.33Å; R761-S763 PolarHBondContact O-N 3Å; S763-K766 PolarHBondContact O-N 2.85Å; S763-H767 WeakPolarHBondContact O-CB 3.43Å; S763-H767 PolarHBondContact O-N 3.33Å
764L74.1Confident65.9Low89 Ų89120.1 Ų120.147%0.46662%0.622SS.*Hα-helixtrans-64.4-47.7174.7-70.6169.2000111.8I760 R761 K766 H767 F768I760-L764 HydrophobicContact CG2-CD1 4.01Å; I760-L764 WeakPolarHBondContact O-CG 3.43Å; I760-L764 PolarHBondContact O-N 2.99Å; R761-L764 PolarHBondContact O-N 2.91Å; L764-K766 PolarHBondContact O-N 3.33Å; L764-H767 PolarHBondContact O-N 2.99Å; L764-F768 HydrophobicContact CD2-CD2 4.32Å; L764-F768 HydrophobicContact CD2-CE2 3.9Å; L764-F768 WeakPolarHBondContact O-CD2 3.48Å; L764-F768 PolarHBondContact O-N 3.45Å
765T76.6Confident65.3Low75 Ų75120.1 Ų120.146%0.4662%0.622SS.*Hα-helixtrans-58.8-36.6175.2-51.60000111.6R761 G769 L770R761-T765 PolarHBondContact O-N 3.28Å; R761-T765 PolarHBondContact O-OG1 2.95Å; T765-G769 WeakPolarHBondContact O-CA 3.46Å; T765-G769 PolarHBondContact O-N 3.5Å; T765-L770 HydrophobicContact CG2-CD1 4.21Å
766K81Confident64.1Low181 Ų181124.7 Ų124.779%0.78764%0.641SS**Hα-helixtrans-69.1-32174.2-177-175.4174-169.20113.3A762 S763 L764A762-K766 VanDerWaalsContact O-CB 3.29Å; A762-K766 WeakPolarHBondContact O-CB 3.39Å; A762-K766 PolarHBondContact O-N 3.42Å; S763-K766 PolarHBondContact O-N 2.85Å; L764-K766 PolarHBondContact O-N 3.33Å
767H66.3Low62.7Low153 Ų153124.9 Ų124.971%0.70865%0.65SS**Hα-helixtrans-85.9-29.6-177.1-113.5-70.4000114.4S763 L764S763-H767 WeakPolarHBondContact O-CB 3.43Å; S763-H767 PolarHBondContact O-N 3.33Å; L764-H767 PolarHBondContact O-N 2.99Å
768F73.4Confident61.1Low173 Ų173129 Ų12976%0.75967%0.666SS**Hα-helixtrans-104.2-12.2-179.9-68.2-76.6000113.8L764L764-F768 HydrophobicContact CD2-CD2 4.32Å; L764-F768 HydrophobicContact CD2-CE2 3.9Å; L764-F768 WeakPolarHBondContact O-CD2 3.48Å; L764-F768 PolarHBondContact O-N 3.45Å
769G50.1Low59.3Low45 Ų45131.3 Ų131.346%0.46468%0.677SS.*  trans79.6176.8179.500000113.7T765T765-G769 WeakPolarHBondContact O-CA 3.46Å; T765-G769 PolarHBondContact O-N 3.5Å
770L47.1Very low57.4Low129 Ų129136 Ų13668%0.67570%0.704SS**  trans-100.4112171.2-14878.7000107.7T765 E772T765-L770 HydrophobicContact CG2-CD1 4.21Å; L770-E772 PolarHBondContact O-N 3.18Å
771L50.7Low55.1Low180 Ų180137 Ų13794%0.94272%0.723SS**  trans-84.656.7-172-161.777.4000111.8
772E43.3Very low52.5Low159 Ų159136.2 Ų136.274%0.74374%0.739SS**  trans-143.446.7-168.6-156.2164.1-143.800111.5L770L770-E772 PolarHBondContact O-N 3.18Å
773T43.7Very low50.6Low131 Ų131139.3 Ų139.380%0.80476%0.756SS**SBendtrans-146.625.5178.857.40000113.7
774A41Very low48.4Very low96 Ų96146.4 Ų146.479%0.79378%0.78SS**SBendtrans-137.517-171.200000114.7
775L41.6Very low46.4Very low174 Ų174147.6 Ų147.691%0.91180%0.796SS**SBendtrans-137.618.2-175.9-78.9173.3000113.7
776E37.4Very low44.5Very low189 Ų189150.1 Ų150.188%0.88381%0.814SS**SBendtrans-111.93.4-176.1-65-164.8137.800114.9
777E43Very low42.1Very low197 Ų197150.1 Ų150.192%0.92182%0.816SS**SBendtrans-105.4-8.9-174.5-162.7161.1-156.400114.9
778E42.2Very low40.2Very low192 Ų192153.5 Ų153.590%0.89782%0.824SS**SBendtrans-128.551-170-156.3171.9-168.800115.3
779E38.2Very low38.1Very low189 Ų189151.4 Ų151.488%0.88382%0.821SS**  trans-142.965.1163.2-157.9179.7-159.300113.6
780L44.1Very low37.2Very low184 Ų184155.1 Ų155.196%0.96384%0.835SS**  trans-139.552.5168-85.4-176.6000113.3
781A33.1Very low36.6Very low97 Ų97155 Ų15580%0.80284%0.839SS**  trans-151.9143.3168.400000114.3
782S29.9Very low35.5Very low122 Ų122155.9 Ų155.985%0.85384%0.836SS**  trans63.4120.3159.1-1530000119.3
783C30.2Very low35.3Very low114 Ų114156.1 Ų156.177%0.7784%0.837SS**  trans-110.7169.9174.6-49.80000111.7
784K30.7Very low34.6Very low205 Ų205155.8 Ų155.889%0.89183%0.83SS**  trans80.9117160.9-56.6178.2177.9-174.90118.1
785S30.3Very low34.3Very low114 Ų114156 Ų15680%0.79783%0.826SS**  trans-111152.2147.6-57.30000108.2
786P36.8Very low33.7Very low129 Ų129153 Ų15384%0.83882%0.82SS**  trans-84.1164.2179.434.5-35.4000113.5
787E30.4Very low33.4Very low180 Ų180150.4 Ų150.484%0.84182%0.822SS**  trans-90.6149178.9-64.3144.4134.400112.7
788Y27.3Very low32.8Very low225 Ų225145.8 Ų145.888%0.88281%0.812SS**  trans167.8144155.6-100.3-68.8000106.5
789D28.5Very low32.2Very low129 Ų129142.2 Ų142.269%0.6981%0.808SS**  cis-146.8164.4-0.1-163.20.7000109.8
790T32.8Very low31.8Very low123 Ų123137.3 Ų137.376%0.75581%0.808SS**  trans-127.2104.8-176.552.30000113.9
791V33Very low30.9Very low126 Ų126137.7 Ų137.776%0.76481%0.805SS**  trans-165.8147.4148.4-99.10000107.8
792F27.4Very low30.6Very low198 Ų198137.7 Ų137.787%0.86880%0.799SS**  cis-148.1147.446.5-127.3-84.9000113
793E39.3Very low30.5Very low164 Ų164136.2 Ų136.277%0.76679%0.789SS**  trans-85.2142.5173-104.5-77.192.700113
794D28.8Very low30.2Very low125 Ų125139.5 Ų139.567%0.66879%0.79SS**  trans34.4154.6147.7-153.238.1000126
795S35.6Very low29.9Very low100 Ų100136.8 Ų136.870%0.69979%0.785SS**  trans83.9154.2143.1-102.80000121.8
796S29.5Very low30.3Very low112 Ų112135.6 Ų135.678%0.78377%0.774SS**  trans-124.6128-173-67.10000111.5
797S30.2Very low29.8Very low134 Ų134137.6 Ų137.694%0.93777%0.773SS**  trans-170.6171.2142.2-93.50000114.4
798S30.4Very low29.8Very low100 Ų100137.6 Ų137.670%0.69977%0.772SS**  trans-92.7153.4-163.456.30000116.1
799S30.3Very low30Very low117 Ų117134.5 Ų134.582%0.81877%0.766SS**  trans63.1106.5144.162.20000119.3
800G29.1Very low30.2Very low86 Ų86136 Ų13689%0.88777%0.769SS**  trans-143.3154.3157.100000109.4
801E26.3Very low30.2Very low192 Ų192137.2 Ų137.290%0.89777%0.766SS**  trans-118.2143-168.8-161-17581.200112.2
802S26.2Very low30.1Very low96 Ų96140 Ų14067%0.67177%0.771SS**  trans76.3121.7153.2-153.70000121.3
803S28.3Very low30.3Very low92 Ų92133.9 Ų133.964%0.64376%0.763SS**  trans101.9113.9132.1-710000123.3
804F22.8Very low29.9Very low182 Ų182134.2 Ų134.280%0.79877%0.765SS**  trans61.4109.6140.1-73.3-87.4000122
805L24.4Very low30Very low148 Ų148135.8 Ų135.878%0.77577%0.768SS**  22.4150.6117.6-61.3176.1000120.4
806P38.1Very low29.8Very low89 Ų89138.7 Ų138.758%0.57877%0.771SS**  cis-146-179.9-26.342-24.3000115.6
807E26.8Very low29.9Very low172 Ų172141 Ų14180%0.80477%0.769SS**  trans61.7167.7141.8-75.8157.2148.100121.3
808E31.3Very low30.1Very low179 Ų179142.5 Ų142.584%0.83676%0.762SS**  trans63.8135.8174.5-62.2171-157.100116.7
809E31Very low30.2Very low160 Ų160143.6 Ų143.675%0.74876%0.76SS**  cis169159.2-35.3-102.9176.1159.300105.4
810E32.1Very low30.5Very low160 Ų160142.9 Ų142.975%0.74875%0.746SS**  trans68.6128.7151.5-73.7174.117300123.6
811E33.9Very low30.9Very low150 Ų150145.8 Ų145.870%0.70174%0.737SS**  trans76.7115.5133.7-69.1-171.1158.100124.1
812E31.1Very low31.4Very low184 Ų184143.8 Ų143.886%0.8673%0.728SS**  trans64.9-177.2131.7-59.5-167156.400118.8
813G30.8Very low32Very low69 Ų69146.9 Ų146.971%0.71173%0.731SS**  trans102.646.6-179.200000115.3
814E31.9Very low32.2Very low171 Ų171148.5 Ų148.580%0.79973%0.733SS**  trans17.1134.6133.4-66.8176.4154.300120
815E30Very low32.5Very low159 Ų159145 Ų14574%0.74373%0.731SS**  trans76.6121.6134.1-70.1-179.2178.500121.6
816E31.7Very low32.6Very low160 Ų160140.6 Ų140.675%0.74872%0.721SS**  trans76.5109.6131.9-68.3-165.2172.600121
817E32Very low32.1Very low161 Ų161142.5 Ų142.575%0.75273%0.731SS**  78170119.6-69.3-69.5178.700119.5
818E33.9Very low32.2Very low166 Ų166139.9 Ų139.978%0.77673%0.732SS**  trans42.1108.8154.3-75.3-177.6-163.300116.7
819D32.2Very low32.7Very low123 Ų123135.9 Ų135.966%0.65872%0.721SS**  cis170.3-179.419-143.9-5.3000108.2
820N35.6Very low32.6Very low101 Ų101134.9 Ų134.954%0.5473%0.726SS.*  trans58.8100.8142-65.4-29.3000120.9
821E39Very low32.2Very low147 Ų147132.8 Ų132.869%0.68773%0.728SS**  98.9145.6103.5-80.8173.4167.600118.9
822E36.8Very low32.6Very low151 Ų151130.7 Ų130.771%0.70673%0.73SS**  trans43.5122.8135.6-59.9-169.6171.900119.2
823E37.3Very low32.3Very low160 Ų160127.8 Ų127.875%0.74872%0.72SS**  cis-169.9-173.55.1-136.6-171.5171.500111.8S825E823-S825 PolarHBondContact O-N 3.1Å
824D33.3Very low32.2Very low126 Ų126132.3 Ų132.367%0.67472%0.722SS**  trans2.6109.1139.3-165.251.2000117.1
825S29.2Very low32.7Very low110 Ų110130.3 Ų130.377%0.76973%0.726SS**  -163.4120.191.626.10000110.9E823E823-S825 PolarHBondContact O-N 3.1Å
826G26.4Very low33Very low54 Ų54128.6 Ų128.656%0.55773%0.729SS**  cis82.3120.841.600000110
827V28.1Very low32.8Very low130 Ų130131.6 Ų131.679%0.78874%0.735SS**  trans69.169156.9-172.10000117.1
828S28.2Very low32.8Very low117 Ų117132.3 Ų132.382%0.81874%0.738SS**  63-136.9108.6-56.10000117.6
829P42Very low32.6Very low94 Ų94129.3 Ų129.361%0.6174%0.735SS**  -129.8167-97.836.3-20.6000118.4
830T29.3Very low33.4Very low139 Ų139129.1 Ų129.185%0.85374%0.741SS**  trans73.7158.2144.746.70000121.4
831C23.9Very low34Very low116 Ų116130 Ų13078%0.78475%0.752SS**  trans86.971.7155-134.30000118.5
832S41.5Very low33.5Very low106 Ų106128.1 Ų128.174%0.74176%0.755SS**  trans-15.5129.8130.8146.10000115.1
833D26.1Very low33.4Very low124 Ų124130.7 Ų130.766%0.66376%0.764SS**  trans-156.6153.3136.9-126.4-26.9000116.8
834H28Very low33.1Very low163 Ų163127.6 Ų127.676%0.75577%0.765SS**  trans65.3130.2157.3-60.91.4000121.9
835C42Very low33Very low130 Ų130127.7 Ų127.788%0.87878%0.776SS**  trans-140.1144.8166.1-62.60000111.5
836P36.1Very low33Very low123 Ų123133.5 Ų133.580%0.79978%0.781SS**  trans-112.4127.2173.936.6-27.7000115.8
837Y28Very low33.5Very low222 Ų222139.8 Ų139.887%0.87180%0.796SS**  trans60.695132.8-128.9-90.9000122.5
838Q31.2Very low33.3Very low177 Ų177141.7 Ų141.783%0.82780%0.801SS**  trans-158.3163132.3-95.9-72.911.900107.7
839S29.7Very low33.1Very low102 Ų102141.4 Ų141.471%0.71380%0.798SS**  trans-164.7175-171.6-660000111
840P49.1Very low32.3Very low119 Ų119142.3 Ų142.377%0.77381%0.806SS**  cis-125.1-156.7-5.644.9-29.2000110.8
841P48Very low32.1Very low120 Ų120146.8 Ų146.878%0.77981%0.808SS**  cis-114.6179.7-1842.6-28.4000111.8
842S28.3Very low32.5Very low108 Ų108146.2 Ų146.276%0.75581%0.805SS**  cis-145.8150.920.161.20000115.7
843K36.5Very low31.8Very low205 Ų205152.5 Ų152.589%0.89181%0.813SS**  trans-12.1140.7161.3-55.9167.7-175.7175.50118
844A31.1Very low31.9Very low94 Ų94151.6 Ų151.678%0.77782%0.816SS**  cis-168.5143.9-9.700000113.5
845S29.5Very low32Very low128 Ų128148.8 Ų148.890%0.89582%0.815SS**  trans65.1152.7156.4-150.30000120.6
846R29.3Very low31.4Very low232 Ų232148.7 Ų148.788%0.87582%0.815SS**  trans-108160.1-173.9-80.3-176.6168.9-169.7-2.8113.8
847Q37.7Very low31.1Very low186 Ų186146.7 Ų146.787%0.86982%0.817SS**  trans-14.5145.9158.1-58.6172.3-13.800119
848L24.2Very low31.2Very low170 Ų170141.5 Ų141.589%0.8981%0.813SS**  trans-154.7166.9135.8-117.8174.4000111.5
849C23.2Very low31.3Very low112 Ų112138.5 Ų138.576%0.75781%0.812SS**  trans-76.4139.3-168.8-46.90000114.8
850S26.1Very low31Very low113 Ų113138.4 Ų138.479%0.7981%0.812SS**  trans-168.3124.2135.2-83.10000109
851R24.6Very low30Very low232 Ų232137.2 Ų137.288%0.87581%0.805SS**  64.172.467.8-161.8178.5-173.3155.66.3113.5
852S31.8Very low29Very low105 Ų105139.5 Ų139.573%0.73481%0.805SS**  trans51.6103.9143.9-45.90000118.9
853R27.4Very low29Very low238 Ų238139 Ų13990%0.89880%0.801SS**  trans-162.1109.7137.2-103.6136.8-166.5-90.1-2.7113.2
854S28.2Very low28.4Very low104 Ų104141.4 Ų141.473%0.72781%0.805SS**  54.4154.9120.2-50.50000123
855S29.3Very low28.4Very low105 Ų105142.2 Ų142.273%0.73481%0.805SS**  trans72.3102.3151.342.10000119.6
856S30.5Very low29.2Very low127 Ų127141.8 Ų141.889%0.88880%0.799SS**  61.1102.3115.6-48.90000119.3
857G29Very low29.4Very low82 Ų82135.1 Ų135.185%0.84579%0.793SS**  trans-137.8117.3152.100000108.6
858S30.8Very low29.1Very low112 Ų112133 Ų13378%0.78379%0.793SS**  trans-88.2167.2-172.8-610000113.5
859S32.1Very low29.7Very low114 Ų114135.7 Ų135.780%0.79779%0.791SS**  trans92.6160.1140.577.60000121.1
860S24.6Very low30.2Very low101 Ų101141.8 Ų141.871%0.70680%0.799SS**  trans72.869.3162.8-63.10000121.2
861C28.3Very low30.8Very low93 Ų93143.5 Ų143.563%0.62880%0.799SS**  44.1152.4111.368.70000124.1
862H26.5Very low30.8Very low169 Ų169141.6 Ų141.678%0.78280%0.797SS**  trans70.6142.4164.7-48.3-55.6000117
863S28Very low31.2Very low96 Ų96145.9 Ų145.967%0.67180%0.797SS**  cis-169.7147-16.444.70000109.7
864W24.1Very low31.2Very low256 Ų256141.1 Ų141.197%0.9780%0.799SS**  trans-170.3141.5151.4-110.8-38.2000115.4
865S31.8Very low31.3Very low112 Ų112142.5 Ų142.578%0.78379%0.794SS**  trans179.2164.3157.3-82.10000107.6
866P45.7Very low31.5Very low118 Ų118142.2 Ų142.277%0.76679%0.792SS**  cis-130.5179.52.541.2-25.6000115.5
867A32.5Very low31.7Very low92 Ų92147.5 Ų147.576%0.7679%0.792SS**  trans66.4141.8159.300000118.1
868T31.7Very low31.7Very low141 Ų141146.3 Ų146.387%0.86578%0.78SS**  cis-124.3148.826.3-63.10000113.2
869R38.2Very low32.3Very low227 Ų227147.4 Ų147.486%0.85779%0.785SS**  trans-78.1131.1-169.7-51.9179.4-163.2-102.73.9113
870R32.7Very low32.4Very low241 Ų241147.4 Ų147.491%0.90978%0.783SS**  trans-134.7143.6145.6-101-172.5169.589.2-0.8108.6
871N38Very low33.2Very low149 Ų149147.8 Ų147.880%0.79779%0.786SS**  trans-82125-169.9-58.1-28.3000111
872F26Very low33.6Very low192 Ų192149.1 Ų149.184%0.84279%0.787SS**  trans-146.6128.3157.5-99.2-74000112.1
873R38.9Very low34.4Very low195 Ų195147.6 Ų147.674%0.73677%0.774SS**  trans30.792.9136.6-174.7-175.7-76.7-1085.1116E875R873-E875 VanDerWaalsContact CD-OE2 3.29Å; R873-E875 WeakPolarHBondContact CD-OE2 3.43Å; R873-E875 HydrophobicContact CG-CB 4.27Å; R873-E875 IonicContact CZ-OE2 2.69Å; R873-E875 IonicContact NE-OE2 3.76Å; R873-E875 IonicContact NH1-OE2 2.69Å; R873-E875 PolarHBondContact NH1-OE2 2.97Å; R873-E875 PolarHBondContact O-N 2.74Å
874C27.6Very low35.4Very low137 Ų137146.6 Ų146.693%0.92676%0.764SS**  trans-83.9102.6163-170.30000109.2
875E31.5Very low36.9Very low134 Ų134138.3 Ų138.363%0.62674%0.743SS**  trans-111.4114.6-179.6-135179.2104.400110.7R873R873-E875 VanDerWaalsContact CD-OE2 3.29Å; R873-E875 WeakPolarHBondContact CD-OE2 3.43Å; R873-E875 HydrophobicContact CG-CB 4.27Å; R873-E875 IonicContact CZ-OE2 2.69Å; R873-E875 IonicContact NE-OE2 3.76Å; R873-E875 IonicContact NH1-OE2 2.69Å; R873-E875 PolarHBondContact NH1-OE2 2.97Å; R873-E875 PolarHBondContact O-N 2.74Å
876S32.3Very low38.4Very low99 Ų99136.5 Ų136.569%0.69273%0.73SS**  trans65.4139.8168.8-129.30000116.4
877R36.2Very low39.4Very low237 Ų237134.2 Ų134.289%0.89471%0.711SS**  cis-145.5138.234-73.9175.5176.7-91-8.2113.8
878G27.5Very low41.2Very low57 Ų57137.1 Ų137.159%0.58870%0.703SS**  trans-179.797.1159.200000106.1C880G878-C880 PolarHBondContact O-N 2.78Å
879P43.7Very low43.1Very low136 Ų136136.2 Ų136.288%0.88369%0.688SS**  trans-71.387.1-177.529.1-33.5000109.1S881P879-S881 PolarHBondContact O-N 3.42Å
880C35.5Very low44.7Very low113 Ų113127.1 Ų127.176%0.76466%0.661SS**  trans-49.4129.9149.4-64.30000106.9G878 D882G878-C880 PolarHBondContact O-N 2.78Å; C880-D882 PolarHBondContact O-N 2.75Å
881S40.3Very low46.7Very low110 Ų110123.4 Ų123.477%0.76965%0.648SS**  trans-53.9114.3165.950.80000107.9P879 R883P879-S881 PolarHBondContact O-N 3.42Å; S881-R883 PolarHBondContact O-N 3.47Å
882D37.8Very low48.7Very low120 Ų120122.9 Ų122.964%0.64264%0.638SS**  trans-71.885.7176.3-126.8-42.9000107.5C880 T884 R888C880-D882 PolarHBondContact O-N 2.75Å; D882-T884 PolarHBondContact O-N 3.38Å; D882-R888 IonicContact OD1-CZ 3.19Å; D882-R888 IonicContact OD1-NH2 2.83Å; D882-R888 PolarHBondContact OD1-NH2 3.48Å; D882-R888 IonicContact OD2-NH2 2.59Å
883R42.5Very low51.1Low138 Ų138121.5 Ų121.552%0.52163%0.627SS.*  trans-71.589.4172-143.3-172.2-172-122.5-0.5105.9E447 S881 I887E447-R883 IonicContact OE1-CZ 2.68Å; E447-R883 IonicContact OE1-NH2 3.8Å; E447-R883 PolarHBondContact OE1-NH2 2.93Å; E447-R883 IonicContact OE2-CZ 2.78Å; E447-R883 IonicContact OE2-NH1 2.93Å; E447-R883 PolarHBondContact OE2-NH1 2.9Å; E447-R883 IonicContact OE2-NH2 3.26Å; E447-R883 PolarHBondContact OE2-NH2 3.06Å; S881-R883 PolarHBondContact O-N 3.47Å; R883-I887 HydrophobicContact CB-CD1 4.05Å; R883-I887 HydrophobicContact CG-CD1 3.6Å
884T49.5Very low52.9Low75 Ų75114.6 Ų114.646%0.4660%0.601SS.*  trans27.1129174.354.50000117D882 S886 I887D882-T884 PolarHBondContact O-N 3.38Å; T884-S886 PolarHBondContact O-N 3.43Å; T884-I887 PolarHBondContact O-N 2.79Å; T884-I887 WeakPolarHBondContact OG1-CD1 3.43Å; T884-I887 WeakPolarHBondContact OG1-CG1 3.4Å
885P56.2Low55.4Low82 Ų82112.7 Ų112.753%0.53258%0.579SS.*Hα-helixtrans-53.6-33.6176.822.2-32.4000111.9I887 R888 H889P885-I887 VanDerWaalsContact C-N 3.29Å; P885-I887 PolarHBondContact O-N 3.14Å; P885-R888 WeakPolarHBondContact O-CB 3.13Å; P885-R888 PolarHBondContact O-N 2.78Å; P885-H889 PolarHBondContact O-CD2 2.85Å; P885-H889 PolarHBondContact O-N 2.9Å; P885-H889 VanDerWaalsContact O-N 3.12Å
886S61.7Low57.8Low73 Ų73112.4 Ų112.451%0.5158%0.576SS.*Hα-helixtrans-41.6-49169.7-177.60000113.7T884 R888 H889 A890T884-S886 PolarHBondContact O-N 3.43Å; S886-R888 VanDerWaalsContact C-N 3.29Å; S886-R888 PolarHBondContact O-N 3.2Å; S886-H889 CarbonylContact O-C 3.34Å; S886-H889 PolarHBondContact O-N 2.95Å; S886-A890 WeakPolarHBondContact O-CB 3.48Å; S886-A890 PolarHBondContact O-N 3Å
887I66.4Low60.1Low70 Ų70107.9 Ų107.936%0.35954%0.544SS..Hα-helixtrans-62.5-35.6-178.5-67.8170000111.8R883 T884 P885 R891R883-I887 HydrophobicContact CB-CD1 4.05Å; R883-I887 HydrophobicContact CG-CD1 3.6Å; T884-I887 PolarHBondContact O-N 2.79Å; T884-I887 WeakPolarHBondContact OG1-CD1 3.43Å; T884-I887 WeakPolarHBondContact OG1-CG1 3.4Å; P885-I887 VanDerWaalsContact C-N 3.29Å; P885-I887 PolarHBondContact O-N 3.14Å; I887-R891 VanDerWaalsContact O-CB 3.24Å; I887-R891 WeakPolarHBondContact O-CB 3.49Å; I887-R891 PolarHBondContact O-N 3.09Å
888R70.6Confident62.2Low154 Ų15498.9 Ų98.958%0.58151%0.513SS*.Hα-helixtrans-69-38.8174.9-65-172.3-110.3162.4-7.3111.3D882 P885 S886 K892D882-R888 IonicContact OD1-CZ 3.19Å; D882-R888 IonicContact OD1-NH2 2.83Å; D882-R888 PolarHBondContact OD1-NH2 3.48Å; D882-R888 IonicContact OD2-NH2 2.59Å; P885-R888 WeakPolarHBondContact O-CB 3.13Å; P885-R888 PolarHBondContact O-N 2.78Å; S886-R888 VanDerWaalsContact C-N 3.29Å; S886-R888 PolarHBondContact O-N 3.2Å; R888-K892 WeakPolarHBondContact O-CB 3.44Å; R888-K892 PolarHBondContact O-N 2.9Å; R888-K892 VanDerWaalsContact O-N 3.09Å
889H72.1Confident64.4Low121 Ų12199.6 Ų99.656%0.5652%0.52SS*.Hα-helixtrans-72.1-43.3176.5-68.5-78.2000112.6P885 S886 K892 R893P885-H889 PolarHBondContact O-CD2 2.85Å; P885-H889 PolarHBondContact O-N 2.9Å; P885-H889 VanDerWaalsContact O-N 3.12Å; S886-H889 CarbonylContact O-C 3.34Å; S886-H889 PolarHBondContact O-N 2.95Å; H889-K892 PolarHBondContact O-N 2.96Å; H889-R893 WeakPolarHBondContact O-CG 3.24Å; H889-R893 PolarHBondContact O-N 3.37Å
890A71.6Confident66.3Low36 Ų3697.2 Ų97.230%0.29850%0.497SS..Hα-helixtrans-60.2-47.4174.500000111.4S886 K892 R893 R894S886-A890 WeakPolarHBondContact O-CB 3.48Å; S886-A890 PolarHBondContact O-N 3Å; A890-K892 VanDerWaalsContact C-N 3.33Å; A890-K892 PolarHBondContact O-N 3.01Å; A890-R893 WeakPolarHBondContact O-CB 3.38Å; A890-R893 PolarHBondContact O-N 3.29Å; A890-R894 WeakPolarHBondContact O-CB 3.38Å; A890-R894 PolarHBondContact O-N 3.16Å
891R75.1Confident68.5Low164 Ų16492.8 Ų92.862%0.61947%0.471SS*.Hα-helixtrans-56.8-45.1172.7-179.8177169.2-174.7-6.2111.8I887 R894 E895I887-R891 VanDerWaalsContact O-CB 3.24Å; I887-R891 WeakPolarHBondContact O-CB 3.49Å; I887-R891 PolarHBondContact O-N 3.09Å; R891-R894 PolarHBondContact O-N 3.07Å; R891-E895 HydrophobicContact CG-CG 4.34Å; R891-E895 IonicContact CZ-OE1 2.71Å; R891-E895 IonicContact NE-OE1 3.64Å; R891-E895 PolarHBondContact NE-OE1 3.21Å; R891-E895 IonicContact NE-OE2 2.66Å; R891-E895 IonicContact NH2-OE1 2.86Å; R891-E895 PolarHBondContact NH2-OE1 3.12Å; R891-E895 WeakPolarHBondContact O-CB 3.23Å; R891-E895 WeakPolarHBondContact O-CG 3.34Å; R891-E895 PolarHBondContact O-N 3.32Å
892K79.9Confident70.8Confident137 Ų13791 Ų9160%0.59645%0.448SS*.Hα-helixtrans-66.1-35.9178.3-168.2175.5-177.6-179.20112.7R888 H889 A890 K896R888-K892 WeakPolarHBondContact O-CB 3.44Å; R888-K892 PolarHBondContact O-N 2.9Å; R888-K892 VanDerWaalsContact O-N 3.09Å; H889-K892 PolarHBondContact O-N 2.96Å; A890-K892 VanDerWaalsContact C-N 3.33Å; A890-K892 PolarHBondContact O-N 3.01Å; K892-K896 WeakPolarHBondContact O-CG 3.39Å; K892-K896 PolarHBondContact O-N 3.26Å; K892-K896 VanDerWaalsContact O-N 3.14Å
893R76.9Confident73.4Confident164 Ų16485.3 Ų85.362%0.61942%0.417SS*.Hα-helixtrans-62.7-46.7171.2-74.6-170.8-72.5148.9-6.6111.1H889 A890 K896 A897H889-R893 WeakPolarHBondContact O-CG 3.24Å; H889-R893 PolarHBondContact O-N 3.37Å; A890-R893 WeakPolarHBondContact O-CB 3.38Å; A890-R893 PolarHBondContact O-N 3.29Å; R893-K896 WeakPolarHBondContact O-CB 3.36Å; R893-K896 PolarHBondContact O-N 2.95Å; R893-A897 PolarHBondContact O-N 3.19Å
894R76.5Confident75.7Confident49 Ų4978.8 Ų78.819%0.18539%0.393CS..Hα-helixtrans-68.9-37.5-179.9-168.2168.1176.4171.1-9.3112.9A890 R891 A897 I898 E930 E932A890-R894 WeakPolarHBondContact O-CB 3.38Å; A890-R894 PolarHBondContact O-N 3.16Å; R891-R894 PolarHBondContact O-N 3.07Å; R894-A897 PolarHBondContact O-N 3.4Å; R894-I898 HydrophobicContact CG-CD1 4.36Å; R894-I898 WeakPolarHBondContact O-CB 3.41Å; R894-I898 VanDerWaalsContact O-CG1 3.24Å; R894-I898 WeakPolarHBondContact O-CG1 3.15Å; R894-I898 PolarHBondContact O-N 2.83Å; R894-E930 VanDerWaalsContact CD-OE1 3.31Å; R894-E930 WeakPolarHBondContact CD-OE1 3.38Å; R894-E930 IonicContact CZ-OE1 2.67Å; R894-E930 VanDerWaalsContact CZ-OE1 3.31Å; R894-E930 IonicContact NE-OE1 2.78Å; R894-E930 PolarHBondContact NE-OE1 3.26Å; R894-E930 IonicContact NE-OE2 3.13Å; R894-E930 IonicContact NH1-OE1 3.74Å; R894-E930 PolarHBondContact NH1-OE1 2.83Å; R894-E932 IonicContact CZ-OE2 3.93Å; R894-E932 IonicContact NH1-OE2 2.78Å; R894-E932 PolarHBondContact NH1-OE2 3.04Å; R894-E932 IonicContact NH2-OE2 2.75Å; R894-E932 PolarHBondContact NH2-OE2 3.48Å
895E79.4Confident77.7Confident97 Ų9776 Ų7645%0.45337%0.374SS..Hα-helixtrans-65.5-38.7173.8-76.4175.2165.400112.2R891 I898 G899R891-E895 HydrophobicContact CG-CG 4.34Å; R891-E895 IonicContact CZ-OE1 2.71Å; R891-E895 IonicContact NE-OE1 3.64Å; R891-E895 PolarHBondContact NE-OE1 3.21Å; R891-E895 IonicContact NE-OE2 2.66Å; R891-E895 IonicContact NH2-OE1 2.86Å; R891-E895 PolarHBondContact NH2-OE1 3.12Å; R891-E895 WeakPolarHBondContact O-CB 3.23Å; R891-E895 WeakPolarHBondContact O-CG 3.34Å; R891-E895 PolarHBondContact O-N 3.32Å; E895-I898 PolarHBondContact O-N 3.19Å; E895-G899 PolarHBondContact O-N 2.69Å; E895-G899 VanDerWaalsContact O-N 3.09Å
896K83.1Confident79.4Confident129 Ų12972 Ų7256%0.56135%0.348SS*.Hα-helixtrans-59.7-53.6168.5-81.5-172.2170.6-159.20112K892 R893 I898 G899 E900K892-K896 WeakPolarHBondContact O-CG 3.39Å; K892-K896 PolarHBondContact O-N 3.26Å; K892-K896 VanDerWaalsContact O-N 3.14Å; R893-K896 WeakPolarHBondContact O-CB 3.36Å; R893-K896 PolarHBondContact O-N 2.95Å; K896-I898 PolarHBondContact O-N 3.27Å; K896-G899 WeakPolarHBondContact O-CA 3.2Å; K896-G899 PolarHBondContact O-N 2.69Å; K896-E900 VanDerWaalsContact O-CD 3.31Å; K896-E900 VanDerWaalsContact O-CG 3.31Å; K896-E900 WeakPolarHBondContact O-CG 3.43Å; K896-E900 PolarHBondContact O-N 3.43Å
897A79.8Confident80.7Confident4 Ų473.2 Ų73.23%0.03334%0.342CS..Hα-helixtrans-60.6-29.8-179.500000113.2R893 R894 G901 R902 V903 T947R893-A897 PolarHBondContact O-N 3.19Å; R894-A897 PolarHBondContact O-N 3.4Å; A897-G901 PolarHBondContact O-N 3.11Å; A897-R902 HydrophobicContact CB-CB 4.3Å; A897-R902 PolarHBondContact O-N 2.81Å; A897-V903 HydrophobicContact CB-CG2 3.86Å; A897-T947 HydrophobicContact CB-CG2 3.71Å
898I80.8Confident81.7Confident47 Ų4772.1 Ų72.124%0.24134%0.336CS..Hα-helixtrans-67.7-47.2170-72.5166000111.1R894 E895 K896 E900 G901 V903R894-I898 HydrophobicContact CG-CD1 4.36Å; R894-I898 WeakPolarHBondContact O-CB 3.41Å; R894-I898 VanDerWaalsContact O-CG1 3.24Å; R894-I898 WeakPolarHBondContact O-CG1 3.15Å; R894-I898 PolarHBondContact O-N 2.83Å; E895-I898 PolarHBondContact O-N 3.19Å; K896-I898 PolarHBondContact O-N 3.27Å; I898-E900 VanDerWaalsContact C-N 3.29Å; I898-E900 PolarHBondContact O-N 2.8Å; I898-G901 PolarHBondContact O-N 3.25Å; I898-G901 VanDerWaalsContact O-N 3.12Å; I898-V903 HydrophobicContact CG1-CB 3.95Å; I898-V903 HydrophobicContact CG1-CG1 4.29Å; I898-V903 HydrophobicContact CG1-CG2 3.78Å
899G72.3Confident82.5Confident72 Ų7265.1 Ų65.174%0.74231%0.31SS*.Hα-helixtrans-63-34.8178.400000113.4E895 K896 G901E895-G899 PolarHBondContact O-N 2.69Å; E895-G899 VanDerWaalsContact O-N 3.09Å; K896-G899 WeakPolarHBondContact O-CA 3.2Å; K896-G899 PolarHBondContact O-N 2.69Å; G899-G901 PolarHBondContact O-N 2.94Å
900E83.7Confident83.1Confident86 Ų8660.1 Ų60.140%0.40229%0.289SS..THydrogen-bonded Turntrans-813.2176.2-63.3152.8-167.200113.1K896 I898 R902 S951K896-E900 VanDerWaalsContact O-CD 3.31Å; K896-E900 VanDerWaalsContact O-CG 3.31Å; K896-E900 WeakPolarHBondContact O-CG 3.43Å; K896-E900 PolarHBondContact O-N 3.43Å; I898-E900 VanDerWaalsContact C-N 3.29Å; I898-E900 PolarHBondContact O-N 2.8Å; E900-R902 HydrophobicContact CB-CG 4.01Å; E900-R902 PolarHBondContact O-N 3.27Å; E900-R902 IonicContact OE2-CZ 2.72Å; E900-R902 IonicContact OE2-NE 2.66Å; E900-R902 PolarHBondContact OE2-NE 3.3Å; E900-R902 IonicContact OE2-NH2 3.35Å; E900-R902 PolarHBondContact OE2-NH2 2.7Å; E900-S951 WeakPolarHBondContact O-CB 3.46Å
901G83Confident83.8Confident21 Ų2161.7 Ų61.722%0.21630%0.298CS..THydrogen-bonded Turntrans71.36.2178.900000115.7A897 I898 G899 V903 A954 Y976A897-G901 PolarHBondContact O-N 3.11Å; I898-G901 PolarHBondContact O-N 3.25Å; I898-G901 VanDerWaalsContact O-N 3.12Å; G899-G901 PolarHBondContact O-N 2.94Å; G901-V903 VanDerWaalsContact C-N 3.28Å; G901-V903 PolarHBondContact O-N 3.29Å; G901-A954 WeakPolarHBondContact O-CB 3.47Å; G901-Y976 WeakPolarHBondContact O-CD1 3.36Å; G901-Y976 VanDerWaalsContact O-CE1 3.29Å; G901-Y976 WeakPolarHBondContact O-CE1 3.38Å
902R88.9Confident84.2Confident72 Ų7260.5 Ų60.527%0.27230%0.304SS..  trans-75.2-10.5-175-58.4-161-81.7159.1-3.8114.8A897 E900 Y948 R949A897-R902 HydrophobicContact CB-CB 4.3Å; A897-R902 PolarHBondContact O-N 2.81Å; E900-R902 HydrophobicContact CB-CG 4.01Å; E900-R902 PolarHBondContact O-N 3.27Å; E900-R902 IonicContact OE2-CZ 2.72Å; E900-R902 IonicContact OE2-NE 2.66Å; E900-R902 PolarHBondContact OE2-NE 3.3Å; E900-R902 IonicContact OE2-NH2 3.35Å; E900-R902 PolarHBondContact OE2-NH2 2.7Å; R902-Y948 PolarHBondContact O-N 2.87Å; R902-R949 WeakPolarHBondContact CD-O 3.44Å; R902-R949 PolarHBondContact NH1-O 3.43Å
903V90.9Very high84.5Confident1 Ų154.1 Ų54.11%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-98129-179.4179.60000111.6A897 I898 G901 I946 T947 Y976 G977A897-V903 HydrophobicContact CB-CG2 3.86Å; I898-V903 HydrophobicContact CG1-CB 3.95Å; I898-V903 HydrophobicContact CG1-CG1 4.29Å; I898-V903 HydrophobicContact CG1-CG2 3.78Å; G901-V903 VanDerWaalsContact C-N 3.28Å; G901-V903 PolarHBondContact O-N 3.29Å; V903-I946 CarbonylContact C-O 3.5Å; V903-I946 WeakPolarHBondContact CA-O 3.23Å; V903-T947 HydrophobicContact CG2-CG2 3.97Å; V903-Y976 CarbonylContact O-C 3.55Å; V903-G977 WeakPolarHBondContact O-CA 3.29Å; V903-G977 PolarHBondContact O-N 3.04Å
904V91.8Very high85.1Confident0 Ų049 Ų490%027%0.265CS..EExtended strand (participates in β ladder)trans-110.3127.1173.1-176.50000109.7I906 I946 Y948 A954 L958 L974V904-I906 HydrophobicContact CG1-CG1 4.2Å; V904-I946 PolarHBondContact N-O 2.94Å; V904-I946 PolarHBondContact O-N 3.4Å; V904-Y948 HydrophobicContact CB-CE2 4.27Å; V904-Y948 HydrophobicContact CG2-CD2 3.96Å; V904-Y948 HydrophobicContact CG2-CE2 3.65Å; V904-A954 HydrophobicContact CG2-CB 3.6Å; V904-L958 HydrophobicContact CB-CD1 4.15Å; V904-L958 HydrophobicContact CG1-CD1 3.72Å; V904-L958 HydrophobicContact CG2-CD1 3.54Å; V904-L974 HydrophobicContact CG1-CB 4.45Å; V904-L974 HydrophobicContact CG1-CD2 4.37Å
905Y90.9Very high85.8Confident16 Ų1649 Ų496%0.06327%0.274CS..EExtended strand (participates in β ladder)trans-103.9125.2175.3171.1-129.4000110.8R907 Y943 G944 F945 L974 S975 F982Y905-R907 HydrophobicContact CD1-CG 4.11Å; Y905-R907 HydrophobicContact CE1-CG 3.43Å; Y905-R907 VanDerWaalsContact CE1-CG 3.43Å; Y905-R907 HydrophobicContact CE2-CG 4.22Å; Y905-R907 VanDerWaalsContact CZ-CG 3.49Å; Y905-Y943 HydrophobicContact CE2-CD1 4.09Å; Y905-Y943 AromaticContact CZ-CD1 3.95Å; Y905-Y943 VanDerWaalsContact OH-CD1 3.22Å; Y905-Y943 WeakPolarHBondContact OH-CD1 3.49Å; Y905-G944 WeakPolarHBondContact CD2-O 3.41Å; Y905-F945 AromaticContact CD2-CD1 3.8Å; Y905-F945 HydrophobicContact CD2-CD1 3.8Å; Y905-F945 HydrophobicContact CD2-CD2 4.36Å; Y905-F945 AromaticContact CD2-CE1 3.31Å; Y905-F945 HydrophobicContact CD2-CE1 3.31Å; Y905-F945 AromaticContact CD2-CE2 3.9Å; Y905-F945 HydrophobicContact CD2-CE2 3.9Å; Y905-F945 HydrophobicContact CD2-CG 4.3Å; Y905-F945 AromaticContact CD2-CZ 3.36Å; Y905-F945 HydrophobicContact CD2-CZ 3.36Å; Y905-F945 AromaticContact CE2-CE1 3.88Å; Y905-F945 HydrophobicContact CE2-CE1 3.88Å; Y905-F945 AromaticContact CE2-CE2 3.87Å; Y905-F945 HydrophobicContact CE2-CE2 3.87Å; Y905-F945 AromaticContact CE2-CZ 3.42Å; Y905-F945 HydrophobicContact CE2-CZ 3.42Å; Y905-F945 VanDerWaalsContact CE2-CZ 3.42Å; Y905-F945 HydrophobicContact CG-CD1 4.37Å; Y905-F945 AromaticContact CG-CE1 3.89Å; Y905-F945 HydrophobicContact CG-CE1 3.89Å; Y905-F945 HydrophobicContact CG-CZ 4.3Å; Y905-L974 WeakPolarHBondContact O-CA 3.25Å; Y905-S975 WeakPolarHBondContact CD1-OG 3.27Å; Y905-S975 PolarHBondContact N-O 3.07Å; Y905-S975 PolarHBondContact O-N 3.49Å; Y905-S975 PolarHBondContact O-OG 3.43Å; Y905-F982 WeakPolarHBondContact OH-CD2 3.07Å; Y905-F982 WeakPolarHBondContact OH-CE2 3.49Å
906I91.1Very high86.4Confident0 Ų051.6 Ų51.60%028%0.279CS..EExtended strand (participates in β ladder)trans-112.8105.9-170.3-49.7-167.4000109.5V904 L909 L918 F922 Y943 G944 I946 F972 L974V904-I906 HydrophobicContact CG1-CG1 4.2Å; I906-L909 HydrophobicContact CG2-CD2 3.65Å; I906-L909 HydrophobicContact CG2-CG 4.24Å; I906-L918 HydrophobicContact CD1-CD1 4.09Å; I906-L918 HydrophobicContact CD1-CD2 4.37Å; I906-F922 HydrophobicContact CD1-CD1 4.04Å; I906-F922 HydrophobicContact CD1-CD2 4.14Å; I906-F922 HydrophobicContact CD1-CE1 3.73Å; I906-F922 HydrophobicContact CD1-CE2 3.85Å; I906-F922 HydrophobicContact CD1-CG 4.24Å; I906-F922 HydrophobicContact CD1-CZ 3.64Å; I906-Y943 CarbonylContact O-C 3.59Å; I906-Y943 WeakPolarHBondContact O-CA 3.35Å; I906-G944 PolarHBondContact N-O 2.87Å; I906-G944 PolarHBondContact O-N 3.32Å; I906-I946 HydrophobicContact CD1-CD1 3.49Å; I906-I946 VanDerWaalsContact CD1-CD1 3.49Å; I906-I946 HydrophobicContact CD1-CG1 3.89Å; I906-F972 HydrophobicContact CG2-CB 4.29Å; I906-L974 HydrophobicContact CB-CD2 4.04Å; I906-L974 HydrophobicContact CD1-CD2 3.93Å; I906-L974 HydrophobicContact CG1-CD2 3.6Å; I906-L974 HydrophobicContact CG2-CD2 3.76Å
907R89.3Confident86.8Confident97 Ų9748 Ų4837%0.36626%0.264SS..EExtended strand (participates in β ladder)trans-88.3152173.7-62.2-165.2-90.2-176.6-2.2110.9Y905 Y943 H973Y905-R907 HydrophobicContact CD1-CG 4.11Å; Y905-R907 HydrophobicContact CE1-CG 3.43Å; Y905-R907 VanDerWaalsContact CE1-CG 3.43Å; Y905-R907 HydrophobicContact CE2-CG 4.22Å; Y905-R907 VanDerWaalsContact CZ-CG 3.49Å; R907-Y943 HydrophobicContact CB-CD1 4.19Å; R907-Y943 HydrophobicContact CB-CE1 4.18Å; R907-Y943 HydrophobicContact CG-CD1 3.96Å; R907-Y943 HydrophobicContact CG-CE1 4.06Å; R907-H973 HydrophobicContact CB-CB 4.21Å; R907-H973 PolarHBondContact N-O 3.04Å; R907-H973 PolarHBondContact NE-CD2 3.38Å; R907-H973 PolarHBondContact NH2-CD2 2.9Å; R907-H973 PolarHBondContact NH2-NE2 3.17Å; R907-H973 PolarHBondContact O-N 3.47Å
908N87.8Confident87.3Confident47 Ų4747.8 Ų47.825%0.25126%0.263SS..EExtended strand (participates in β ladder)trans70.644.3165.1-158.956.8000113.7K941 P970 S971N908-K941 PolarHBondContact OD1-NZ 2.88Å; N908-P970 WeakPolarHBondContact ND2-CB 3.3Å; N908-P970 WeakPolarHBondContact O-CB 3.32Å; N908-P970 WeakPolarHBondContact O-CG 3.43Å; N908-S971 PolarHBondContact ND2-O 3.46Å
909L88.3Confident87.9Confident7 Ų750 Ų504%0.03727%0.27CS..EExtended strand (participates in β ladder)trans-66.9157.5167-61.9176.6000110.9I906 M913 L918 V933 K942 F972I906-L909 HydrophobicContact CG2-CD2 3.65Å; I906-L909 HydrophobicContact CG2-CG 4.24Å; L909-M913 HydrophobicContact CB-CB 4.35Å; L909-M913 HydrophobicContact CB-CG 4.28Å; L909-M913 HydrophobicContact CD2-CE 4.5Å; L909-M913 HydrophobicContact CD2-CG 4.42Å; L909-L918 HydrophobicContact CD1-CD1 4.47Å; L909-L918 HydrophobicContact CD1-CD2 4.05Å; L909-L918 HydrophobicContact CD2-CD1 3.75Å; L909-V933 HydrophobicContact CD1-CG1 3.97Å; L909-V933 HydrophobicContact CD1-CG2 4.49Å; L909-K942 HydrophobicContact CB-CB 3.72Å; L909-K942 HydrophobicContact CD1-CB 4.27Å; L909-K942 PolarHBondContact N-O 3.49Å; L909-K942 VanDerWaalsContact N-O 3.16Å; L909-F972 HydrophobicContact CD2-CD1 3.94Å; L909-F972 HydrophobicContact CD2-CE1 3.92Å
910S85Confident88.8Confident16 Ų1655.4 Ų55.411%0.11227%0.268CS..  trans-69.2163.9168.957.20000111.2D912 M913S910-D912 PolarHBondContact O-N 3.19Å; S910-M913 WeakPolarHBondContact OG-CG 3.31Å
911S84.7Confident89.2Confident70 Ų7052.5 Ų52.549%0.4925%0.254SS..THydrogen-bonded Turntrans-58.3-29.7173.639.30000113K942S911-K942 WeakPolarHBondContact O-CD 3.47Å; S911-K942 WeakPolarHBondContact O-CE 3.29Å; S911-K942 PolarHBondContact O-NZ 3.35Å
912D83.8Confident89.6Confident139 Ų13951.5 Ų51.574%0.74324%0.243SC*.THydrogen-bonded Turntrans-97.4-2-163.4-37.8-31.9000112.2S910S910-D912 PolarHBondContact O-N 3.19Å
913M86.6Confident89.8Confident3 Ų352.2 Ų52.22%0.01525%0.25CC..  trans-69.2132.1173.2-78.8-78.4-161.800112L909 S910 E917 K942 F972L909-M913 HydrophobicContact CB-CB 4.35Å; L909-M913 HydrophobicContact CB-CG 4.28Å; L909-M913 HydrophobicContact CD2-CE 4.5Å; L909-M913 HydrophobicContact CD2-CG 4.42Å; S910-M913 WeakPolarHBondContact OG-CG 3.31Å; M913-E917 HydrophobicContact SD-CG 3.69Å; M913-K942 WeakPolarHBondContact O-CD 3.48Å; M913-K942 PolarHBondContact O-NZ 2.89Å; M913-F972 HydrophobicContact CE-CE1 3.68Å; M913-F972 HydrophobicContact CE-CZ 3.46Å; M913-F972 VanDerWaalsContact CE-CZ 3.46Å
914S89.8Confident89.9Confident55 Ų5557.3 Ų57.339%0.38528%0.281SS..  trans-100.7170.9164.661.40000111.1E917 L918S914-E917 WeakPolarHBondContact OG-CB 3.38Å; S914-E917 PolarHBondContact OG-N 3.15Å; S914-E917 VanDerWaalsContact OG-N 3.17Å; S914-L918 WeakPolarHBondContact O-CB 3.46Å; S914-L918 PolarHBondContact O-N 3.41Å; S914-L918 VanDerWaalsContact O-N 3.11Å
915S91.5Very high89.8Confident51 Ų5158.5 Ų58.536%0.35729%0.286SS..Hα-helixtrans-57.4-49.5167.946.10000111.5E917 L918 K919 C931S915-E917 PolarHBondContact O-N 3.3Å; S915-L918 WeakPolarHBondContact O-CB 3.34Å; S915-L918 PolarHBondContact O-N 3.03Å; S915-L918 VanDerWaalsContact O-N 3.09Å; S915-K919 PolarHBondContact O-N 3.02Å; S915-C931 WeakPolarHBondContact CB-O 3.29Å; S915-C931 PolarHBondContact O-SG 3.05Å
916R91.3Very high89.8Confident150 Ų15058.6 Ų58.657%0.56629%0.292SS*.Hα-helixtrans-60.8-43.9-179.1-52.8-170.4-153.8159.228.7113.4E441 L918 K919 R920E441-R916 IonicContact OE1-CZ 3.49Å; E441-R916 IonicContact OE1-NE 3.17Å; E441-R916 PolarHBondContact OE1-NE 3.38Å; E441-R916 IonicContact OE1-NH1 2.67Å; E441-R916 PolarHBondContact OE1-NH1 3.08Å; E441-R916 IonicContact OE1-NH2 2.77Å; E441-R916 PolarHBondContact OE1-NH2 2.88Å; E441-R916 IonicContact OE2-CZ 3.99Å; E441-R916 IonicContact OE2-NE 3.31Å; E441-R916 IonicContact OE2-NH1 3.81Å; E441-R916 PolarHBondContact OE2-NH1 3.22Å; E441-R916 IonicContact OE2-NH2 2.72Å; E441-R916 PolarHBondContact OE2-NH2 3.09Å; R916-L918 VanDerWaalsContact C-N 3.3Å; R916-L918 PolarHBondContact O-N 3.41Å; R916-K919 PolarHBondContact O-N 3.2Å; R916-R920 WeakPolarHBondContact O-CB 3.27Å; R916-R920 PolarHBondContact O-N 2.72Å
917E91.2Very high89.9Confident54 Ų5463.5 Ų63.525%0.25232%0.315SS..Hα-helixtrans-67.6-30.2175.2170.971175.300111.9M913 S914 S915 R921 K966M913-E917 HydrophobicContact SD-CG 3.69Å; S914-E917 WeakPolarHBondContact OG-CB 3.38Å; S914-E917 PolarHBondContact OG-N 3.15Å; S914-E917 VanDerWaalsContact OG-N 3.17Å; S915-E917 PolarHBondContact O-N 3.3Å; E917-R921 WeakPolarHBondContact O-CG 3.39Å; E917-R921 PolarHBondContact O-N 3.49Å; E917-R921 IonicContact OE1-CZ 2.66Å; E917-R921 IonicContact OE1-NE 3.71Å; E917-R921 PolarHBondContact OE1-NE 3.5Å; E917-R921 IonicContact OE1-NH2 2.76Å; E917-R921 PolarHBondContact OE1-NH2 2.94Å; E917-K966 IonicContact OE1-NZ 2.75Å; E917-K966 PolarHBondContact OE1-NZ 2.96Å
918L91.4Very high90.1Very high0 Ų059.4 Ų59.40%030%0.3CS..Hα-helixtrans-72.5-47.6173.9-170.967.5000111.3I906 L909 S914 S915 R916 R921 F922 V933 I946I906-L918 HydrophobicContact CD1-CD1 4.09Å; I906-L918 HydrophobicContact CD1-CD2 4.37Å; L909-L918 HydrophobicContact CD1-CD1 4.47Å; L909-L918 HydrophobicContact CD1-CD2 4.05Å; L909-L918 HydrophobicContact CD2-CD1 3.75Å; S914-L918 WeakPolarHBondContact O-CB 3.46Å; S914-L918 PolarHBondContact O-N 3.41Å; S914-L918 VanDerWaalsContact O-N 3.11Å; S915-L918 WeakPolarHBondContact O-CB 3.34Å; S915-L918 PolarHBondContact O-N 3.03Å; S915-L918 VanDerWaalsContact O-N 3.09Å; R916-L918 VanDerWaalsContact C-N 3.3Å; R916-L918 PolarHBondContact O-N 3.41Å; L918-R921 PolarHBondContact O-N 3.34Å; L918-F922 HydrophobicContact CD1-CD2 3.71Å; L918-F922 HydrophobicContact CD1-CE2 3.71Å; L918-F922 HydrophobicContact CG-CD2 4.33Å; L918-F922 WeakPolarHBondContact O-CD2 3.18Å; L918-F922 PolarHBondContact O-N 2.89Å; L918-V933 HydrophobicContact CB-CG2 4.27Å; L918-V933 HydrophobicContact CD2-CG2 3.63Å; L918-I946 HydrophobicContact CD2-CD1 4.36Å; L918-I946 HydrophobicContact CD2-CG1 4.37Å; L918-I946 HydrophobicContact CG-CD1 4.09Å
919K92.8Very high90.2Very high92 Ų9261.2 Ų61.240%0.431%0.313SS..Hα-helixtrans-52.8-61.3174.9-173.8-178.6176.6-176.40109.7S915 R916 R921 F922 E923 I928 C931S915-K919 PolarHBondContact O-N 3.02Å; R916-K919 PolarHBondContact O-N 3.2Å; K919-R921 PolarHBondContact O-N 2.93Å; K919-F922 PolarHBondContact O-N 3.44Å; K919-E923 WeakPolarHBondContact O-CB 3.47Å; K919-E923 PolarHBondContact O-N 2.59Å; K919-I928 HydrophobicContact CG-CB 4.32Å; K919-I928 HydrophobicContact CG-CD1 4.07Å; K919-I928 HydrophobicContact CG-CG2 4.29Å; K919-C931 HydrophobicContact CB-CB 4.13Å
920R92Very high90.2Very high187 Ų18763.8 Ų63.871%0.70633%0.325SS*.Hα-helixtrans-53.2-31.5-176.8-175.9176.8-69.7-163.2-1.2114.7R916R916-R920 WeakPolarHBondContact O-CB 3.27Å; R916-R920 PolarHBondContact O-N 2.72Å
921R90.2Very high90.5Very high24 Ų2464.2 Ų64.29%0.09133%0.327CS..Hα-helixtrans-78.4-40.9176.1-72.6-174.4-165.9-168.224.7112.8E917 L918 K919 V924 L964 E969E917-R921 WeakPolarHBondContact O-CG 3.39Å; E917-R921 PolarHBondContact O-N 3.49Å; E917-R921 IonicContact OE1-CZ 2.66Å; E917-R921 IonicContact OE1-NE 3.71Å; E917-R921 PolarHBondContact OE1-NE 3.5Å; E917-R921 IonicContact OE1-NH2 2.76Å; E917-R921 PolarHBondContact OE1-NH2 2.94Å; L918-R921 PolarHBondContact O-N 3.34Å; K919-R921 PolarHBondContact O-N 2.93Å; R921-V924 WeakPolarHBondContact O-CG2 3.43Å; R921-L964 HydrophobicContact CB-CD1 4.29Å; R921-L964 PolarHBondContact NH1-O 2.93Å; R921-L964 WeakPolarHBondContact O-CD1 3.2Å; R921-E969 IonicContact CZ-OE1 3.83Å; R921-E969 IonicContact CZ-OE2 3.19Å; R921-E969 IonicContact NH1-OE1 2.88Å; R921-E969 PolarHBondContact NH1-OE1 3.36Å; R921-E969 IonicContact NH1-OE2 2.96Å; R921-E969 PolarHBondContact NH1-OE2 3.42Å; R921-E969 IonicContact NH2-OE1 2.75Å; R921-E969 PolarHBondContact NH2-OE1 3.39Å; R921-E969 IonicContact NH2-OE2 2.8Å
922F91.3Very high90.8Very high0 Ų063.8 Ų63.80%032%0.317CS..Hα-helixtrans-89.7-15.7-171.3-85.7-91.2000113.8I906 L918 K919 V924 F925 I928 I946 Y948 S957 L964 F972 L974I906-F922 HydrophobicContact CD1-CD1 4.04Å; I906-F922 HydrophobicContact CD1-CD2 4.14Å; I906-F922 HydrophobicContact CD1-CE1 3.73Å; I906-F922 HydrophobicContact CD1-CE2 3.85Å; I906-F922 HydrophobicContact CD1-CG 4.24Å; I906-F922 HydrophobicContact CD1-CZ 3.64Å; L918-F922 HydrophobicContact CD1-CD2 3.71Å; L918-F922 HydrophobicContact CD1-CE2 3.71Å; L918-F922 HydrophobicContact CG-CD2 4.33Å; L918-F922 WeakPolarHBondContact O-CD2 3.18Å; L918-F922 PolarHBondContact O-N 2.89Å; K919-F922 PolarHBondContact O-N 3.44Å; F922-V924 PolarHBondContact O-N 3.04Å; F922-F925 AromaticContact CD1-CD2 4Å; F922-F925 HydrophobicContact CD1-CD2 4Å; F922-F925 AromaticContact CD1-CE2 3.88Å; F922-F925 HydrophobicContact CD1-CE2 3.88Å; F922-F925 HydrophobicContact CE1-CE2 4.16Å; F922-F925 WeakPolarHBondContact O-CD2 3.43Å; F922-F925 PolarHBondContact O-N 2.77Å; F922-F925 VanDerWaalsContact O-N 3.09Å; F922-I928 HydrophobicContact CB-CD1 4.04Å; F922-I946 HydrophobicContact CB-CD1 3.34Å; F922-I946 HydrophobicContact CD1-CD1 3.95Å; F922-I946 HydrophobicContact CD2-CD1 4Å; F922-I946 HydrophobicContact CG-CD1 3.48Å; F922-I946 VanDerWaalsContact CG-CD1 3.48Å; F922-Y948 WeakPolarHBondContact CB-OH 3.38Å; F922-Y948 PolarHBondContact O-OH 3.41Å; F922-S957 WeakPolarHBondContact CD1-OG 3.37Å; F922-L964 HydrophobicContact CD1-CD1 4Å; F922-L964 HydrophobicContact CD2-CD1 3.95Å; F922-L964 HydrophobicContact CE1-CD1 4.05Å; F922-L964 HydrophobicContact CE2-CD1 3.98Å; F922-L964 HydrophobicContact CG-CD1 3.96Å; F922-L964 HydrophobicContact CZ-CD1 4.02Å; F922-F972 HydrophobicContact CE2-CD2 4.27Å; F922-F972 HydrophobicContact CE2-CE2 4.2Å; F922-F972 HydrophobicContact CZ-CD2 4.02Å; F922-F972 HydrophobicContact CZ-CE2 4.38Å; F922-L974 HydrophobicContact CE1-CD1 4.18Å; F922-L974 HydrophobicContact CE1-CD2 4.05Å; F922-L974 HydrophobicContact CZ-CD2 4.09Å
923E93.5Very high91.2Very high88 Ų8858.4 Ų58.441%0.41129%0.29SS..G310 helixtrans-57.2-24168.6-176.1162.7-109.100112.7K919 F925 G926 I928K919-E923 WeakPolarHBondContact O-CB 3.47Å; K919-E923 PolarHBondContact O-N 2.59Å; E923-F925 PolarHBondContact O-N 2.77Å; E923-F925 VanDerWaalsContact O-N 3.08Å; E923-G926 PolarHBondContact O-N 3.44Å; E923-I928 HydrophobicContact CB-CD1 4.19Å
924V92.6Very high91.2Very high107 Ų10761 Ų6165%0.64830%0.303SS*.G310 helixtrans-58.8-17.8170.9-178.90000113R921 F922R921-V924 WeakPolarHBondContact O-CG2 3.43Å; F922-V924 PolarHBondContact O-N 3.04Å
925F89.8Confident91Very high25 Ų2562.4 Ų62.411%0.1131%0.31CS..G310 helixtrans-970.5174.5-53.2-53.8000114.2F922 E923 Y948 H953 L956 S957 N960 G961 L964F922-F925 AromaticContact CD1-CD2 4Å; F922-F925 HydrophobicContact CD1-CD2 4Å; F922-F925 AromaticContact CD1-CE2 3.88Å; F922-F925 HydrophobicContact CD1-CE2 3.88Å; F922-F925 HydrophobicContact CE1-CE2 4.16Å; F922-F925 WeakPolarHBondContact O-CD2 3.43Å; F922-F925 PolarHBondContact O-N 2.77Å; F922-F925 VanDerWaalsContact O-N 3.09Å; E923-F925 PolarHBondContact O-N 2.77Å; E923-F925 VanDerWaalsContact O-N 3.08Å; F925-Y948 HydrophobicContact CB-CE1 4.32Å; F925-H953 WeakPolarHBondContact O-CA 3.49Å; F925-H953 WeakPolarHBondContact O-CB 3.18Å; F925-H953 PolarHBondContact O-CD2 3.39Å; F925-H953 VanDerWaalsContact O-CD2 3.3Å; F925-H953 VanDerWaalsContact O-CG 3.25Å; F925-L956 HydrophobicContact CB-CB 4.38Å; F925-L956 HydrophobicContact CD1-CB 4.43Å; F925-S957 VanDerWaalsContact CD2-CA 3.4Å; F925-N960 HydrophobicContact CD1-CB 4.41Å; F925-N960 HydrophobicContact CE1-CB 3.51Å; F925-N960 HydrophobicContact CZ-CB 3.81Å; F925-G961 VanDerWaalsContact CE2-CA 3.43Å; F925-G961 VanDerWaalsContact CZ-CA 3.48Å; F925-L964 HydrophobicContact CD2-CD1 4.3Å; F925-L964 HydrophobicContact CE2-CD1 3.31Å; F925-L964 HydrophobicContact CE2-CG 4.08Å; F925-L964 HydrophobicContact CZ-CD1 3.66Å; F925-L964 HydrophobicContact CZ-CD2 4.25Å; F925-L964 HydrophobicContact CZ-CG 3.91Å
926G90.8Very high90.1Very high19 Ų1964.6 Ų64.620%0.19631%0.31CS..SBendtrans121.5174.2-178.700000113.3E923 Y948E923-G926 PolarHBondContact O-N 3.44Å; G926-Y948 WeakPolarHBondContact O-CD1 3.47Å; G926-Y948 WeakPolarHBondContact O-CE1 3.3Å
927E93.3Very high88.5Confident102 Ų10261.8 Ų61.848%0.47731%0.314SS..  trans-65.5133.3-165.3-156.5-172.6141.600114.3Y948 R949E927-Y948 WeakPolarHBondContact O-CA 3.48Å; E927-R949 HydrophobicContact CB-CG 4.39Å; E927-R949 VanDerWaalsContact CD-NH1 3.3Å; E927-R949 PolarHBondContact O-N 2.88Å; E927-R949 WeakPolarHBondContact OE1-CD 3.23Å; E927-R949 IonicContact OE1-CZ 3.45Å; E927-R949 IonicContact OE1-NE 2.7Å; E927-R949 IonicContact OE1-NH1 3.43Å; E927-R949 PolarHBondContact OE1-NH1 2.94Å; E927-R949 WeakPolarHBondContact OE2-CD 3.25Å; E927-R949 IonicContact OE2-CZ 3.47Å; E927-R949 IonicContact OE2-NE 3.51Å; E927-R949 IonicContact OE2-NH1 2.67Å; E927-R949 PolarHBondContact OE2-NH1 2.67Å; E927-R949 VanDerWaalsContact OE2-NH1 3.08Å
928I93.5Very high87.1Confident12 Ų1269.4 Ų69.46%0.06235%0.346CS..EExtended strand (participates in β ladder)trans-106.7123-175.5-65.3173.4000110.4K919 F922 E923 E930 C931 I946 Y948K919-I928 HydrophobicContact CG-CB 4.32Å; K919-I928 HydrophobicContact CG-CD1 4.07Å; K919-I928 HydrophobicContact CG-CG2 4.29Å; F922-I928 HydrophobicContact CB-CD1 4.04Å; E923-I928 HydrophobicContact CB-CD1 4.19Å; I928-E930 WeakPolarHBondContact CG2-O 3.36Å; I928-C931 HydrophobicContact CG2-CB 4.09Å; I928-I946 HydrophobicContact CB-CG2 4.3Å; I928-I946 HydrophobicContact CD1-CD1 4.41Å; I928-I946 HydrophobicContact CD1-CG2 3.67Å; I928-I946 HydrophobicContact CG1-CG2 3.65Å; I928-I946 HydrophobicContact CG2-CG2 3.74Å; I928-Y948 HydrophobicContact CD1-CE1 4.19Å; I928-Y948 HydrophobicContact CG1-CD1 3.87Å; I928-Y948 HydrophobicContact CG1-CE1 3.64Å
929V90.8Very high85.9Confident85 Ų8580.2 Ų80.252%0.51539%0.387SS..EExtended strand (participates in β ladder)trans-86.4-32.2177.8-1740000112.5T947 R949V929-T947 HydrophobicContact CB-CG2 4.47Å; V929-T947 PolarHBondContact N-O 3.17Å; V929-R949 HydrophobicContact CG2-CB 4.34Å; V929-R949 HydrophobicContact CG2-CG 3.37Å
930E88.6Confident84.9Confident61 Ų6177.9 Ų77.929%0.28539%0.388SS..EExtended strand (participates in β ladder)trans-148.9133.7-172-167.9-170.6177.200108.9R894 I928 I946 T947R894-E930 VanDerWaalsContact CD-OE1 3.31Å; R894-E930 WeakPolarHBondContact CD-OE1 3.38Å; R894-E930 IonicContact CZ-OE1 2.67Å; R894-E930 VanDerWaalsContact CZ-OE1 3.31Å; R894-E930 IonicContact NE-OE1 2.78Å; R894-E930 PolarHBondContact NE-OE1 3.26Å; R894-E930 IonicContact NE-OE2 3.13Å; R894-E930 IonicContact NH1-OE1 3.74Å; R894-E930 PolarHBondContact NH1-OE1 2.83Å; I928-E930 WeakPolarHBondContact CG2-O 3.36Å; E930-I946 WeakPolarHBondContact O-CA 3.37Å; E930-T947 PolarHBondContact N-O 2.83Å; E930-T947 PolarHBondContact O-N 3.48Å; E930-T947 PolarHBondContact OE2-OG1 3.19Å
931C91.9Very high84.3Confident25 Ų2573.4 Ų73.417%0.16937%0.374CS..EExtended strand (participates in β ladder)trans-141.685.7179.4-171.50000113S915 K919 I928 F945S915-C931 WeakPolarHBondContact CB-O 3.29Å; S915-C931 PolarHBondContact O-SG 3.05Å; K919-C931 HydrophobicContact CB-CB 4.13Å; I928-C931 HydrophobicContact CG2-CB 4.09Å; C931-F945 CarbonylContact C-O 3.55Å; C931-F945 WeakPolarHBondContact CA-O 3.4Å
932E90.5Very high84.3Confident60 Ų6074.3 Ų74.328%0.2838%0.379SS..EExtended strand (participates in β ladder)trans-96.9132.2-174.4-174.6-164.7-17600111.7R894 L934 G944 F945R894-E932 IonicContact CZ-OE2 3.93Å; R894-E932 IonicContact NH1-OE2 2.78Å; R894-E932 PolarHBondContact NH1-OE2 3.04Å; R894-E932 IonicContact NH2-OE2 2.75Å; R894-E932 PolarHBondContact NH2-OE2 3.48Å; E932-L934 HydrophobicContact CG-CG 4.1Å; E932-L934 VanDerWaalsContact OE1-CD1 3.26Å; E932-L934 WeakPolarHBondContact OE1-CD1 3.41Å; E932-L934 WeakPolarHBondContact OE1-CD2 3.43Å; E932-L934 VanDerWaalsContact OE1-CG 3.3Å; E932-L934 WeakPolarHBondContact OE1-CG 3.49Å; E932-G944 CarbonylContact O-C 3.57Å; E932-G944 VanDerWaalsContact O-CA 3.29Å; E932-G944 WeakPolarHBondContact O-CA 3.41Å; E932-F945 HydrophobicContact CB-CB 4.39Å; E932-F945 PolarHBondContact N-O 3.5Å; E932-F945 PolarHBondContact O-N 3.25Å
933V91.4Very high84.2Confident26 Ų2676 Ų7616%0.15839%0.385CS..  trans-118.982.7-179-179.60000113L909 L918 T935 K942 Y943L909-V933 HydrophobicContact CD1-CG1 3.97Å; L909-V933 HydrophobicContact CD1-CG2 4.49Å; L918-V933 HydrophobicContact CB-CG2 4.27Å; L918-V933 HydrophobicContact CD2-CG2 3.63Å; V933-T935 PolarHBondContact O-N 3.08Å; V933-K942 HydrophobicContact CG1-CB 4.32Å; V933-K942 HydrophobicContact CG1-CD 4.07Å; V933-K942 HydrophobicContact CG1-CG 4.3Å; V933-Y943 CarbonylContact C-O 3.57Å; V933-Y943 VanDerWaalsContact CA-O 3.32Å; V933-Y943 WeakPolarHBondContact CA-O 3.46Å
934L87.9Confident84.1Confident57 Ų5771.8 Ų71.830%0.29837%0.366SS..  trans-74122.9-179.8-72.4173.4000113.8E932 Y943 F945E932-L934 HydrophobicContact CG-CG 4.1Å; E932-L934 VanDerWaalsContact OE1-CD1 3.26Å; E932-L934 WeakPolarHBondContact OE1-CD1 3.41Å; E932-L934 WeakPolarHBondContact OE1-CD2 3.43Å; E932-L934 VanDerWaalsContact OE1-CG 3.3Å; E932-L934 WeakPolarHBondContact OE1-CG 3.49Å; L934-Y943 PolarHBondContact N-O 3.48Å; L934-Y943 PolarHBondContact O-N 2.99Å; L934-F945 HydrophobicContact CD1-CD2 4.33Å; L934-F945 HydrophobicContact CD1-CE2 3.85Å
935T85.3Confident84.1Confident85 Ų8567 Ų6752%0.52134%0.336SS..EExtended strand (participates in β ladder)trans-91.5107.8176.9-59.70000111.8V933 K942V933-T935 PolarHBondContact O-N 3.08Å; T935-K942 HydrophobicContact CG2-CG 4.26Å; T935-K942 WeakPolarHBondContact OG1-CE 3.31Å; T935-K942 WeakPolarHBondContact OG1-CG 3.49Å
936R72.3Confident84.2Confident97 Ų9765.8 Ų65.837%0.36633%0.331SS..EExtended strand (participates in β ladder)trans-92.7110.4-177.2-162.1-170.9-176.3144.9-3.6112.9K941 Y943 F982R936-K941 PolarHBondContact N-O 3.4Å; R936-Y943 HydrophobicContact CB-CD2 3.77Å; R936-Y943 HydrophobicContact CB-CE2 3.51Å; R936-Y943 HydrophobicContact CG-CE2 4.49Å; R936-F982 HydrophobicContact CB-CE1 4.49Å; R936-F982 HydrophobicContact CB-CZ 3.94Å; R936-F982 HydrophobicContact CG-CE1 4.41Å; R936-F982 HydrophobicContact CG-CZ 4.02Å; R936-F982 VanDerWaalsContact NH1-CD2 3.25Å
937S57.6Low84.3Confident92 Ų9265.2 Ų65.264%0.64332%0.324SS*.THydrogen-bonded Turntrans68.5169.2162.6-165.50000116.3R939 G940S937-R939 PolarHBondContact O-N 3.47Å; S937-G940 PolarHBondContact O-N 2.87Å
938K61.1Low84.3Confident214 Ų21460.4 Ų60.493%0.9330%0.301SS*.THydrogen-bonded Turntrans-66.921.6-173.7-52-175.2-178-175.10114.9
939R67.3Low84.3Confident227 Ų22766.3 Ų66.386%0.85732%0.323SS*.THydrogen-bonded Turntrans-116.86.2174-66.6-169.8-179.8-174.13113S937 K941S937-R939 PolarHBondContact O-N 3.47Å; R939-K941 VanDerWaalsContact C-N 3.32Å; R939-K941 PolarHBondContact O-N 2.84Å
940G70.6Confident84.2Confident42 Ų4264.9 Ų64.943%0.43332%0.316SS..THydrogen-bonded Turntrans65.428.7172.600000114.7S937S937-G940 PolarHBondContact O-N 2.87Å
941K81.2Confident84.3Confident94 Ų9464.6 Ų64.641%0.40932%0.321SS..EExtended strand (participates in β ladder)trans-89.1113.8177.2-72.4-159.1166.8-128.50110.2N908 R936 R939 Y943N908-K941 PolarHBondContact OD1-NZ 2.88Å; R936-K941 PolarHBondContact N-O 3.4Å; R939-K941 VanDerWaalsContact C-N 3.32Å; R939-K941 PolarHBondContact O-N 2.84Å; K941-Y943 HydrophobicContact CB-CE2 3.71Å; K941-Y943 WeakPolarHBondContact O-CD2 3.11Å; K941-Y943 VanDerWaalsContact O-CE2 3.29Å; K941-Y943 WeakPolarHBondContact O-CE2 3.32Å
942K88.3Confident84.3Confident43 Ų4370.2 Ų70.219%0.18735%0.345CS..EExtended strand (participates in β ladder)trans-88.1150.1172.6-81178.2169.8175.10111.9L909 S911 M913 V933 T935L909-K942 HydrophobicContact CB-CB 3.72Å; L909-K942 HydrophobicContact CD1-CB 4.27Å; L909-K942 PolarHBondContact N-O 3.49Å; L909-K942 VanDerWaalsContact N-O 3.16Å; S911-K942 WeakPolarHBondContact O-CD 3.47Å; S911-K942 WeakPolarHBondContact O-CE 3.29Å; S911-K942 PolarHBondContact O-NZ 3.35Å; M913-K942 WeakPolarHBondContact O-CD 3.48Å; M913-K942 PolarHBondContact O-NZ 2.89Å; V933-K942 HydrophobicContact CG1-CB 4.32Å; V933-K942 HydrophobicContact CG1-CD 4.07Å; V933-K942 HydrophobicContact CG1-CG 4.3Å; T935-K942 HydrophobicContact CG2-CG 4.26Å; T935-K942 WeakPolarHBondContact OG1-CE 3.31Å; T935-K942 WeakPolarHBondContact OG1-CG 3.49Å
943Y89.9Confident84.5Confident35 Ų3569.8 Ų69.814%0.13734%0.342CS..EExtended strand (participates in β ladder)trans-137.6144-179.3-63.6-97.4000107.3Y905 I906 R907 V933 L934 R936 K941 F982Y905-Y943 HydrophobicContact CE2-CD1 4.09Å; Y905-Y943 AromaticContact CZ-CD1 3.95Å; Y905-Y943 VanDerWaalsContact OH-CD1 3.22Å; Y905-Y943 WeakPolarHBondContact OH-CD1 3.49Å; I906-Y943 CarbonylContact O-C 3.59Å; I906-Y943 WeakPolarHBondContact O-CA 3.35Å; R907-Y943 HydrophobicContact CB-CD1 4.19Å; R907-Y943 HydrophobicContact CB-CE1 4.18Å; R907-Y943 HydrophobicContact CG-CD1 3.96Å; R907-Y943 HydrophobicContact CG-CE1 4.06Å; V933-Y943 CarbonylContact C-O 3.57Å; V933-Y943 VanDerWaalsContact CA-O 3.32Å; V933-Y943 WeakPolarHBondContact CA-O 3.46Å; L934-Y943 PolarHBondContact N-O 3.48Å; L934-Y943 PolarHBondContact O-N 2.99Å; R936-Y943 HydrophobicContact CB-CD2 3.77Å; R936-Y943 HydrophobicContact CB-CE2 3.51Å; R936-Y943 HydrophobicContact CG-CE2 4.49Å; K941-Y943 HydrophobicContact CB-CE2 3.71Å; K941-Y943 WeakPolarHBondContact O-CD2 3.11Å; K941-Y943 VanDerWaalsContact O-CE2 3.29Å; K941-Y943 WeakPolarHBondContact O-CE2 3.32Å; Y943-F982 AromaticContact CD1-CE2 3.81Å; Y943-F982 HydrophobicContact CD1-CE2 3.81Å; Y943-F982 HydrophobicContact CD1-CZ 4.12Å; Y943-F982 HydrophobicContact CD2-CE2 4.27Å; Y943-F982 AromaticContact CD2-CZ 3.8Å; Y943-F982 HydrophobicContact CD2-CZ 3.8Å; Y943-F982 AromaticContact CE1-CE2 3.98Å; Y943-F982 HydrophobicContact CE1-CE2 3.98Å; Y943-F982 HydrophobicContact CE1-CZ 4.46Å; Y943-F982 HydrophobicContact CE2-CE2 4.46Å; Y943-F982 HydrophobicContact CE2-CZ 4.2Å; Y943-F982 AromaticContact CG-CE2 3.96Å; Y943-F982 HydrophobicContact CG-CE2 3.96Å; Y943-F982 AromaticContact CG-CZ 3.77Å; Y943-F982 HydrophobicContact CG-CZ 3.77Å
944G91.5Very high84.5Confident0 Ų068.6 Ų68.60%034%0.335CS..EExtended strand (participates in β ladder)trans-121.8149.7-179.900000111.8Y905 I906 E932Y905-G944 WeakPolarHBondContact CD2-O 3.41Å; I906-G944 PolarHBondContact N-O 2.87Å; I906-G944 PolarHBondContact O-N 3.32Å; E932-G944 CarbonylContact O-C 3.57Å; E932-G944 VanDerWaalsContact O-CA 3.29Å; E932-G944 WeakPolarHBondContact O-CA 3.41Å
945F92.4Very high84.6Confident5 Ų567.2 Ų67.22%0.02233%0.332CS..EExtended strand (participates in β ladder)trans-123.4132.7166.1-64-95.4000107.8Y905 C931 E932 L934 L979Y905-F945 AromaticContact CD2-CD1 3.8Å; Y905-F945 HydrophobicContact CD2-CD1 3.8Å; Y905-F945 HydrophobicContact CD2-CD2 4.36Å; Y905-F945 AromaticContact CD2-CE1 3.31Å; Y905-F945 HydrophobicContact CD2-CE1 3.31Å; Y905-F945 AromaticContact CD2-CE2 3.9Å; Y905-F945 HydrophobicContact CD2-CE2 3.9Å; Y905-F945 HydrophobicContact CD2-CG 4.3Å; Y905-F945 AromaticContact CD2-CZ 3.36Å; Y905-F945 HydrophobicContact CD2-CZ 3.36Å; Y905-F945 AromaticContact CE2-CE1 3.88Å; Y905-F945 HydrophobicContact CE2-CE1 3.88Å; Y905-F945 AromaticContact CE2-CE2 3.87Å; Y905-F945 HydrophobicContact CE2-CE2 3.87Å; Y905-F945 AromaticContact CE2-CZ 3.42Å; Y905-F945 HydrophobicContact CE2-CZ 3.42Å; Y905-F945 VanDerWaalsContact CE2-CZ 3.42Å; Y905-F945 HydrophobicContact CG-CD1 4.37Å; Y905-F945 AromaticContact CG-CE1 3.89Å; Y905-F945 HydrophobicContact CG-CE1 3.89Å; Y905-F945 HydrophobicContact CG-CZ 4.3Å; C931-F945 CarbonylContact C-O 3.55Å; C931-F945 WeakPolarHBondContact CA-O 3.4Å; E932-F945 HydrophobicContact CB-CB 4.39Å; E932-F945 PolarHBondContact N-O 3.5Å; E932-F945 PolarHBondContact O-N 3.25Å; L934-F945 HydrophobicContact CD1-CD2 4.33Å; L934-F945 HydrophobicContact CD1-CE2 3.85Å; F945-L979 HydrophobicContact CE1-CD1 3.67Å; F945-L979 HydrophobicContact CE2-CD1 4.47Å; F945-L979 HydrophobicContact CZ-CD1 3.55Å
946I93.3Very high84.8Confident0 Ų067 Ų670%033%0.327CS..EExtended strand (participates in β ladder)trans-126.4122.5176.7-56-171.2000107.9V903 V904 I906 L918 F922 I928 E930 Y948V903-I946 CarbonylContact C-O 3.5Å; V903-I946 WeakPolarHBondContact CA-O 3.23Å; V904-I946 PolarHBondContact N-O 2.94Å; V904-I946 PolarHBondContact O-N 3.4Å; I906-I946 HydrophobicContact CD1-CD1 3.49Å; I906-I946 VanDerWaalsContact CD1-CD1 3.49Å; I906-I946 HydrophobicContact CD1-CG1 3.89Å; L918-I946 HydrophobicContact CD2-CD1 4.36Å; L918-I946 HydrophobicContact CD2-CG1 4.37Å; L918-I946 HydrophobicContact CG-CD1 4.09Å; F922-I946 HydrophobicContact CB-CD1 3.34Å; F922-I946 HydrophobicContact CD1-CD1 3.95Å; F922-I946 HydrophobicContact CD2-CD1 4Å; F922-I946 HydrophobicContact CG-CD1 3.48Å; F922-I946 VanDerWaalsContact CG-CD1 3.48Å; I928-I946 HydrophobicContact CB-CG2 4.3Å; I928-I946 HydrophobicContact CD1-CD1 4.41Å; I928-I946 HydrophobicContact CD1-CG2 3.67Å; I928-I946 HydrophobicContact CG1-CG2 3.65Å; I928-I946 HydrophobicContact CG2-CG2 3.74Å; E930-I946 WeakPolarHBondContact O-CA 3.37Å; I946-Y948 HydrophobicContact CB-CE2 4.19Å; I946-Y948 HydrophobicContact CG2-CD2 3.95Å; I946-Y948 HydrophobicContact CG2-CE1 4.29Å; I946-Y948 HydrophobicContact CG2-CE2 3.55Å; I946-Y948 HydrophobicContact CG2-CG 4.48Å
947T92.3Very high85.8Confident8 Ų862.4 Ų62.45%0.04931%0.31CS..EExtended strand (participates in β ladder)trans-102.9117171.7-55.40000108.4A897 V903 V929 E930A897-T947 HydrophobicContact CB-CG2 3.71Å; V903-T947 HydrophobicContact CG2-CG2 3.97Å; V929-T947 HydrophobicContact CB-CG2 4.47Å; V929-T947 PolarHBondContact N-O 3.17Å; E930-T947 PolarHBondContact N-O 2.83Å; E930-T947 PolarHBondContact O-N 3.48Å; E930-T947 PolarHBondContact OE2-OG1 3.19Å
948Y93.5Very high87.3Confident0 Ų060 Ų600%029%0.289CS..EExtended strand (participates in β ladder)trans-90.2159.5176.9-70.7-86.6000111.8R902 V904 F922 F925 G926 E927 I928 I946 C950 H953 A954 S957R902-Y948 PolarHBondContact O-N 2.87Å; V904-Y948 HydrophobicContact CB-CE2 4.27Å; V904-Y948 HydrophobicContact CG2-CD2 3.96Å; V904-Y948 HydrophobicContact CG2-CE2 3.65Å; F922-Y948 WeakPolarHBondContact CB-OH 3.38Å; F922-Y948 PolarHBondContact O-OH 3.41Å; F925-Y948 HydrophobicContact CB-CE1 4.32Å; G926-Y948 WeakPolarHBondContact O-CD1 3.47Å; G926-Y948 WeakPolarHBondContact O-CE1 3.3Å; E927-Y948 WeakPolarHBondContact O-CA 3.48Å; I928-Y948 HydrophobicContact CD1-CE1 4.19Å; I928-Y948 HydrophobicContact CG1-CD1 3.87Å; I928-Y948 HydrophobicContact CG1-CE1 3.64Å; I946-Y948 HydrophobicContact CB-CE2 4.19Å; I946-Y948 HydrophobicContact CG2-CD2 3.95Å; I946-Y948 HydrophobicContact CG2-CE1 4.29Å; I946-Y948 HydrophobicContact CG2-CE2 3.55Å; I946-Y948 HydrophobicContact CG2-CG 4.48Å; Y948-C950 VanDerWaalsContact C-N 3.34Å; Y948-C950 WeakPolarHBondContact CB-O 3.26Å; Y948-H953 HydrophobicContact CD1-CB 3.61Å; Y948-H953 HydrophobicContact CE1-CB 4.26Å; Y948-H953 HydrophobicContact CG-CB 3.86Å; Y948-A954 HydrophobicContact CD2-CB 3.84Å; Y948-A954 HydrophobicContact CE2-CB 4.49Å; Y948-S957 VanDerWaalsContact OH-CB 3.25Å; Y948-S957 WeakPolarHBondContact OH-CB 3.4Å; Y948-S957 PolarHBondContact OH-OG 3.17Å
949R92.4Very high88.6Confident136 Ų13659.8 Ų59.851%0.51328%0.283SS..SBendtrans-66-36169.7-74.4-17981.1161.7-0.3112.6R902 E927 V929R902-R949 WeakPolarHBondContact CD-O 3.44Å; R902-R949 PolarHBondContact NH1-O 3.43Å; E927-R949 HydrophobicContact CB-CG 4.39Å; E927-R949 VanDerWaalsContact CD-NH1 3.3Å; E927-R949 PolarHBondContact O-N 2.88Å; E927-R949 WeakPolarHBondContact OE1-CD 3.23Å; E927-R949 IonicContact OE1-CZ 3.45Å; E927-R949 IonicContact OE1-NE 2.7Å; E927-R949 IonicContact OE1-NH1 3.43Å; E927-R949 PolarHBondContact OE1-NH1 2.94Å; E927-R949 WeakPolarHBondContact OE2-CD 3.25Å; E927-R949 IonicContact OE2-CZ 3.47Å; E927-R949 IonicContact OE2-NE 3.51Å; E927-R949 IonicContact OE2-NH1 2.67Å; E927-R949 PolarHBondContact OE2-NH1 2.67Å; E927-R949 VanDerWaalsContact OE2-NH1 3.08Å; V929-R949 HydrophobicContact CG2-CB 4.34Å; V929-R949 HydrophobicContact CG2-CG 3.37Å
950C88.7Confident89.6Confident55 Ų5553 Ų5337%0.37226%0.264SS..SBendtrans-118.3146.9-177.5-54.80000111.7Y948 E952 H953 A954Y948-C950 VanDerWaalsContact C-N 3.34Å; Y948-C950 WeakPolarHBondContact CB-O 3.26Å; C950-E952 VanDerWaalsContact C-N 3.3Å; C950-E952 PolarHBondContact O-N 2.85Å; C950-H953 HydrophobicContact CB-CB 4.47Å; C950-H953 PolarHBondContact O-N 3.08Å; C950-A954 PolarHBondContact O-N 2.87Å
951S91.8Very high90.2Very high56 Ų5651 Ų5139%0.39224%0.243SC..Hα-helixtrans-67.7-31.5175.750.20000112.1E900 A954 A955E900-S951 WeakPolarHBondContact O-CB 3.46Å; S951-A954 WeakPolarHBondContact O-CB 3.29Å; S951-A954 PolarHBondContact O-N 2.92Å; S951-A955 PolarHBondContact O-N 3.28Å
952E91.8Very high90.3Very high143 Ų14349.2 Ų49.267%0.66825%0.246SC*.Hα-helixtrans-63.8-39.9175-60.8-177.4-176.400112.4C950 A954 A955 L956C950-E952 VanDerWaalsContact C-N 3.3Å; C950-E952 PolarHBondContact O-N 2.85Å; E952-A954 VanDerWaalsContact C-N 3.31Å; E952-A954 PolarHBondContact O-N 2.85Å; E952-A955 WeakPolarHBondContact O-CB 3.32Å; E952-A955 PolarHBondContact O-N 2.98Å; E952-A955 VanDerWaalsContact O-N 3.09Å; E952-L956 WeakPolarHBondContact O-CG 3.28Å; E952-L956 PolarHBondContact O-N 3.46Å
953H93.6Very high90.2Very high51 Ų5151.3 Ų51.324%0.23627%0.271CS..Hα-helixtrans-61.9-40.8174.3-60.3167.5000111.1F925 Y948 C950 S957F925-H953 WeakPolarHBondContact O-CA 3.49Å; F925-H953 WeakPolarHBondContact O-CB 3.18Å; F925-H953 PolarHBondContact O-CD2 3.39Å; F925-H953 VanDerWaalsContact O-CD2 3.3Å; F925-H953 VanDerWaalsContact O-CG 3.25Å; Y948-H953 HydrophobicContact CD1-CB 3.61Å; Y948-H953 HydrophobicContact CE1-CB 4.26Å; Y948-H953 HydrophobicContact CG-CB 3.86Å; C950-H953 HydrophobicContact CB-CB 4.47Å; C950-H953 PolarHBondContact O-N 3.08Å; H953-S957 WeakPolarHBondContact O-CB 3.42Å; H953-S957 PolarHBondContact O-N 3.31Å
954A91.9Very high89.9Confident0 Ų051.7 Ų51.70%028%0.275CS..Hα-helixtrans-63.6-39171.700000112.3G901 V904 Y948 C950 S951 E952 S957 L958 Y976G901-A954 WeakPolarHBondContact O-CB 3.47Å; V904-A954 HydrophobicContact CG2-CB 3.6Å; Y948-A954 HydrophobicContact CD2-CB 3.84Å; Y948-A954 HydrophobicContact CE2-CB 4.49Å; C950-A954 PolarHBondContact O-N 2.87Å; S951-A954 WeakPolarHBondContact O-CB 3.29Å; S951-A954 PolarHBondContact O-N 2.92Å; E952-A954 VanDerWaalsContact C-N 3.31Å; E952-A954 PolarHBondContact O-N 2.85Å; A954-S957 WeakPolarHBondContact O-CB 3.47Å; A954-S957 PolarHBondContact O-N 3.4Å; A954-L958 WeakPolarHBondContact O-CD1 3.29Å; A954-L958 PolarHBondContact O-N 3.23Å; A954-Y976 HydrophobicContact CB-CE1 4.22Å
955A89.1Confident89.6Confident29 Ų2957.1 Ų57.124%0.2430%0.296CS..Hα-helixtrans-65.5-46.9176.600000112.8S951 E952 S957 L958 R959 Y976S951-A955 PolarHBondContact O-N 3.28Å; E952-A955 WeakPolarHBondContact O-CB 3.32Å; E952-A955 PolarHBondContact O-N 2.98Å; E952-A955 VanDerWaalsContact O-N 3.09Å; A955-S957 VanDerWaalsContact C-N 3.29Å; A955-S957 PolarHBondContact O-N 3.24Å; A955-L958 PolarHBondContact O-N 2.93Å; A955-R959 WeakPolarHBondContact O-CG 3.48Å; A955-R959 PolarHBondContact O-N 2.82Å; A955-R959 VanDerWaalsContact O-N 3.12Å; A955-Y976 VanDerWaalsContact CA-OH 3.27Å; A955-Y976 WeakPolarHBondContact CA-OH 3.22Å; A955-Y976 WeakPolarHBondContact CB-OH 3.37Å
956L91.3Very high89.2Confident80 Ų8062.3 Ų62.342%0.41932%0.318SS..Hα-helixtrans-59.6-43.1173.7-69.2172.6000110.6F925 E952 R959 N960F925-L956 HydrophobicContact CB-CB 4.38Å; F925-L956 HydrophobicContact CD1-CB 4.43Å; E952-L956 WeakPolarHBondContact O-CG 3.28Å; E952-L956 PolarHBondContact O-N 3.46Å; L956-R959 PolarHBondContact O-N 2.99Å; L956-N960 WeakPolarHBondContact O-CB 3.36Å; L956-N960 PolarHBondContact O-N 3.15Å
957S91.8Very high88.5Confident0 Ų073.9 Ų73.90%036%0.362CS..Hα-helixtrans-58.8-46.5174.9-178.40000112.9F922 F925 Y948 H953 A954 A955 R959 G961 L974F922-S957 WeakPolarHBondContact CD1-OG 3.37Å; F925-S957 VanDerWaalsContact CD2-CA 3.4Å; Y948-S957 VanDerWaalsContact OH-CB 3.25Å; Y948-S957 WeakPolarHBondContact OH-CB 3.4Å; Y948-S957 PolarHBondContact OH-OG 3.17Å; H953-S957 WeakPolarHBondContact O-CB 3.42Å; H953-S957 PolarHBondContact O-N 3.31Å; A954-S957 WeakPolarHBondContact O-CB 3.47Å; A954-S957 PolarHBondContact O-N 3.4Å; A955-S957 VanDerWaalsContact C-N 3.29Å; A955-S957 PolarHBondContact O-N 3.24Å; S957-R959 PolarHBondContact O-N 3.27Å; S957-G961 VanDerWaalsContact O-CA 3.24Å; S957-G961 WeakPolarHBondContact O-CA 3.5Å; S957-G961 PolarHBondContact O-N 3.35Å; S957-L974 WeakPolarHBondContact O-CD1 3.21Å
958L88.9Confident87.9Confident41 Ų4181.6 Ų81.622%0.21540%0.403CS..Hα-helixtrans-60.6-42175-98.584.7000113.1V904 A954 A955 L974 Y976V904-L958 HydrophobicContact CB-CD1 4.15Å; V904-L958 HydrophobicContact CG1-CD1 3.72Å; V904-L958 HydrophobicContact CG2-CD1 3.54Å; A954-L958 WeakPolarHBondContact O-CD1 3.29Å; A954-L958 PolarHBondContact O-N 3.23Å; A955-L958 PolarHBondContact O-N 2.93Å; L958-L974 HydrophobicContact CG-CB 4.3Å; L958-Y976 HydrophobicContact CD1-CD1 3.88Å; L958-Y976 HydrophobicContact CD1-CE1 3.96Å; L958-Y976 HydrophobicContact CD1-CG 4.18Å; L958-Y976 HydrophobicContact CD2-CD1 4.33Å; L958-Y976 HydrophobicContact CD2-CD2 3.5Å; L958-Y976 VanDerWaalsContact CD2-CD2 3.5Å; L958-Y976 HydrophobicContact CD2-CE1 4.5Å; L958-Y976 HydrophobicContact CD2-CE2 3.72Å; L958-Y976 HydrophobicContact CD2-CG 3.84Å
959R88.4Confident87.5Confident210 Ų21082.9 Ų82.979%0.79241%0.409SS*.Hα-helixtrans-73.9-42.5-176.1-65.8178.585.2174.96.4112.1A955 L956 S957A955-R959 WeakPolarHBondContact O-CG 3.48Å; A955-R959 PolarHBondContact O-N 2.82Å; A955-R959 VanDerWaalsContact O-N 3.12Å; L956-R959 PolarHBondContact O-N 2.99Å; S957-R959 PolarHBondContact O-N 3.27Å
960N88.8Confident87Confident85 Ų8578.4 Ų78.446%0.45540%0.398SS..Hα-helixtrans-107.5-22.9-167.8-61.9-20.2000113.5F925 L956 A962 A963F925-N960 HydrophobicContact CD1-CB 4.41Å; F925-N960 HydrophobicContact CE1-CB 3.51Å; F925-N960 HydrophobicContact CZ-CB 3.81Å; L956-N960 WeakPolarHBondContact O-CB 3.36Å; L956-N960 PolarHBondContact O-N 3.15Å; N960-A962 PolarHBondContact O-N 2.82Å; N960-A962 VanDerWaalsContact O-N 3.09Å; N960-A963 VanDerWaalsContact O-CB 3.26Å; N960-A963 WeakPolarHBondContact O-CB 3.43Å; N960-A963 PolarHBondContact O-N 3.38Å
961G83.6Confident86.7Confident0 Ų079.2 Ų79.20%040%0.404CS..G310 helixtrans-62.3-21.3-173.600000115.2F925 S957 A963 L964F925-G961 VanDerWaalsContact CE2-CA 3.43Å; F925-G961 VanDerWaalsContact CZ-CA 3.48Å; S957-G961 VanDerWaalsContact O-CA 3.24Å; S957-G961 WeakPolarHBondContact O-CA 3.5Å; S957-G961 PolarHBondContact O-N 3.35Å; G961-A963 PolarHBondContact O-N 3.43Å; G961-L964 PolarHBondContact O-N 3.12Å
962A84Confident86.6Confident56 Ų5677 Ų7746%0.46339%0.387SS..G310 helixtrans-61.5-20.4170.900000113.4N960N960-A962 PolarHBondContact O-N 2.82Å; N960-A962 VanDerWaalsContact O-N 3.09Å
963A84.4Confident86.4Confident87 Ų8774.7 Ų74.772%0.71938%0.376SS*.G310 helixtrans-81-20.7176.800000114N960 G961 R965N960-A963 VanDerWaalsContact O-CB 3.26Å; N960-A963 WeakPolarHBondContact O-CB 3.43Å; N960-A963 PolarHBondContact O-N 3.38Å; G961-A963 PolarHBondContact O-N 3.43Å; A963-R965 PolarHBondContact O-N 3.02Å
964L83.7Confident86.2Confident44 Ų4473.4 Ų73.423%0.2337%0.371CS..  trans-7111.1-177.8-61.6177.1000115R921 F922 F925 G961 F972R921-L964 HydrophobicContact CB-CD1 4.29Å; R921-L964 PolarHBondContact NH1-O 2.93Å; R921-L964 WeakPolarHBondContact O-CD1 3.2Å; F922-L964 HydrophobicContact CD1-CD1 4Å; F922-L964 HydrophobicContact CD2-CD1 3.95Å; F922-L964 HydrophobicContact CE1-CD1 4.05Å; F922-L964 HydrophobicContact CE2-CD1 3.98Å; F922-L964 HydrophobicContact CG-CD1 3.96Å; F922-L964 HydrophobicContact CZ-CD1 4.02Å; F925-L964 HydrophobicContact CD2-CD1 4.3Å; F925-L964 HydrophobicContact CE2-CD1 3.31Å; F925-L964 HydrophobicContact CE2-CG 4.08Å; F925-L964 HydrophobicContact CZ-CD1 3.66Å; F925-L964 HydrophobicContact CZ-CD2 4.25Å; F925-L964 HydrophobicContact CZ-CG 3.91Å; G961-L964 PolarHBondContact O-N 3.12Å; L964-F972 HydrophobicContact CB-CE2 4.2Å
965R85Confident85.9Confident114 Ų11474.8 Ų74.843%0.4338%0.381SS..  trans-88.5121.1-173-179.7-173.772121.2-8110.5A963 E969 P970 F972A963-R965 PolarHBondContact O-N 3.02Å; R965-E969 WeakPolarHBondContact CD-O 3.45Å; R965-E969 HydrophobicContact CG-CB 3.76Å; R965-E969 PolarHBondContact NH1-O 3.3Å; R965-E969 VanDerWaalsContact NH1-O 3.08Å; R965-P970 WeakPolarHBondContact CD-O 3.42Å; R965-F972 HydrophobicContact CB-CD2 4.3Å; R965-F972 HydrophobicContact CB-CE2 3.98Å; R965-F972 HydrophobicContact CB-CZ 4.33Å
966K84.2Confident85.6Confident113 Ų11379 Ų7949%0.49139%0.391SS..  trans-66149.8173.7-63.2172-1801680109.1E917 N968 E969E917-K966 IonicContact OE1-NZ 2.75Å; E917-K966 PolarHBondContact OE1-NZ 2.96Å; K966-N968 PolarHBondContact O-N 2.93Å; K966-E969 HydrophobicContact CB-CG 4.11Å; K966-E969 PolarHBondContact N-OE2 2.8Å; K966-E969 WeakPolarHBondContact O-CB 3.47Å; K966-E969 PolarHBondContact O-N 3.4Å
967R79.4Confident84.4Confident244 Ų24476.1 Ų76.192%0.92138%0.381SS*.THydrogen-bonded Turntrans-55-24.5-169.2-68.3-178.7-179.8134.61.6115.4
968N79.4Confident82.6Confident169 Ų16977.1 Ų77.190%0.90439%0.392SS*.THydrogen-bonded Turntrans-951-178.2-59.3-18.2000113.6K966K966-N968 PolarHBondContact O-N 2.93Å
969E84.9Confident80.8Confident27 Ų2778.2 Ų78.213%0.12640%0.397CS..SBendtrans-97.6151.8-170.8-70.7173.6165.400113.9R921 R965 K966R921-E969 IonicContact CZ-OE1 3.83Å; R921-E969 IonicContact CZ-OE2 3.19Å; R921-E969 IonicContact NH1-OE1 2.88Å; R921-E969 PolarHBondContact NH1-OE1 3.36Å; R921-E969 IonicContact NH1-OE2 2.96Å; R921-E969 PolarHBondContact NH1-OE2 3.42Å; R921-E969 IonicContact NH2-OE1 2.75Å; R921-E969 PolarHBondContact NH2-OE1 3.39Å; R921-E969 IonicContact NH2-OE2 2.8Å; R965-E969 WeakPolarHBondContact CD-O 3.45Å; R965-E969 HydrophobicContact CG-CB 3.76Å; R965-E969 PolarHBondContact NH1-O 3.3Å; R965-E969 VanDerWaalsContact NH1-O 3.08Å; K966-E969 HydrophobicContact CB-CG 4.11Å; K966-E969 PolarHBondContact N-OE2 2.8Å; K966-E969 WeakPolarHBondContact O-CB 3.47Å; K966-E969 PolarHBondContact O-N 3.4Å
970P81.9Confident79Confident43 Ų4379.2 Ų79.228%0.27940%0.401SS..PPolyproline II helixtrans-56.5148.8167.325.5-35000111.7N908 R965 F972N908-P970 WeakPolarHBondContact ND2-CB 3.3Å; N908-P970 WeakPolarHBondContact O-CB 3.32Å; N908-P970 WeakPolarHBondContact O-CG 3.43Å; R965-P970 WeakPolarHBondContact CD-O 3.42Å; P970-F972 PolarHBondContact O-N 2.59Å
971S83.5Confident77Confident72 Ų7282.3 Ų82.350%0.50341%0.412SS..PPolyproline II helixtrans-65.6118171.954.50000110.6N908N908-S971 PolarHBondContact ND2-O 3.46Å
972F88.3Confident74.8Confident10 Ų1084.2 Ų84.24%0.04442%0.421CS..PPolyproline II helixtrans-55.9137.2165-51-35.1000108.6I906 L909 M913 F922 L964 R965 P970 L974I906-F972 HydrophobicContact CG2-CB 4.29Å; L909-F972 HydrophobicContact CD2-CD1 3.94Å; L909-F972 HydrophobicContact CD2-CE1 3.92Å; M913-F972 HydrophobicContact CE-CE1 3.68Å; M913-F972 HydrophobicContact CE-CZ 3.46Å; M913-F972 VanDerWaalsContact CE-CZ 3.46Å; F922-F972 HydrophobicContact CE2-CD2 4.27Å; F922-F972 HydrophobicContact CE2-CE2 4.2Å; F922-F972 HydrophobicContact CZ-CD2 4.02Å; F922-F972 HydrophobicContact CZ-CE2 4.38Å; L964-F972 HydrophobicContact CB-CE2 4.2Å; R965-F972 HydrophobicContact CB-CD2 4.3Å; R965-F972 HydrophobicContact CB-CE2 3.98Å; R965-F972 HydrophobicContact CB-CZ 4.33Å; P970-F972 PolarHBondContact O-N 2.59Å; F972-L974 HydrophobicContact CB-CD2 4.26Å
973H88Confident72.5Confident93 Ų9385.4 Ų85.443%0.43143%0.425SS..EExtended strand (participates in β ladder)trans-121.9108.7172.2172.294.2000107.8R907R907-H973 HydrophobicContact CB-CB 4.21Å; R907-H973 PolarHBondContact N-O 3.04Å; R907-H973 PolarHBondContact NE-CD2 3.38Å; R907-H973 PolarHBondContact NH2-CD2 2.9Å; R907-H973 PolarHBondContact NH2-NE2 3.17Å; R907-H973 PolarHBondContact O-N 3.47Å
974L90.1Very high69.9Low25 Ų2591.3 Ų91.313%0.13143%0.429CS..EExtended strand (participates in β ladder)trans-95.5147.3-172-52.1177.2000110.3V904 Y905 I906 F922 S957 L958 F972V904-L974 HydrophobicContact CG1-CB 4.45Å; V904-L974 HydrophobicContact CG1-CD2 4.37Å; Y905-L974 WeakPolarHBondContact O-CA 3.25Å; I906-L974 HydrophobicContact CB-CD2 4.04Å; I906-L974 HydrophobicContact CD1-CD2 3.93Å; I906-L974 HydrophobicContact CG1-CD2 3.6Å; I906-L974 HydrophobicContact CG2-CD2 3.76Å; F922-L974 HydrophobicContact CE1-CD1 4.18Å; F922-L974 HydrophobicContact CE1-CD2 4.05Å; F922-L974 HydrophobicContact CZ-CD2 4.09Å; S957-L974 WeakPolarHBondContact O-CD1 3.21Å; L958-L974 HydrophobicContact CG-CB 4.3Å; F972-L974 HydrophobicContact CB-CD2 4.26Å
975S85.3Confident67.5Low29 Ų2992.3 Ų92.320%0.20344%0.438CS..EExtended strand (participates in β ladder)trans-158.7147.7179.141.80000110Y905Y905-S975 WeakPolarHBondContact CD1-OG 3.27Å; Y905-S975 PolarHBondContact N-O 3.07Å; Y905-S975 PolarHBondContact O-N 3.49Å; Y905-S975 PolarHBondContact O-OG 3.43Å
976Y83.5Confident65Low116 Ų11697.2 Ų97.246%0.45546%0.456SS..EExtended strand (participates in β ladder)trans-64.4159.9176.2-83.4-63.3000112.4G901 V903 A954 A955 L958G901-Y976 WeakPolarHBondContact O-CD1 3.36Å; G901-Y976 VanDerWaalsContact O-CE1 3.29Å; G901-Y976 WeakPolarHBondContact O-CE1 3.38Å; V903-Y976 CarbonylContact O-C 3.55Å; A954-Y976 HydrophobicContact CB-CE1 4.22Å; A955-Y976 VanDerWaalsContact CA-OH 3.27Å; A955-Y976 WeakPolarHBondContact CA-OH 3.22Å; A955-Y976 WeakPolarHBondContact CB-OH 3.37Å; L958-Y976 HydrophobicContact CD1-CD1 3.88Å; L958-Y976 HydrophobicContact CD1-CE1 3.96Å; L958-Y976 HydrophobicContact CD1-CG 4.18Å; L958-Y976 HydrophobicContact CD2-CD1 4.33Å; L958-Y976 HydrophobicContact CD2-CD2 3.5Å; L958-Y976 VanDerWaalsContact CD2-CD2 3.5Å; L958-Y976 HydrophobicContact CD2-CE1 4.5Å; L958-Y976 HydrophobicContact CD2-CE2 3.72Å; L958-Y976 HydrophobicContact CD2-CG 3.84Å
977G66.3Low62.7Low20 Ų20102.8 Ų102.821%0.20648%0.476CS..SBendtrans-52.3131.9-170.400000114.8V903V903-G977 WeakPolarHBondContact O-CA 3.29Å; V903-G977 PolarHBondContact O-N 3.04Å
978G53.3Low61Low22 Ų2296.5 Ų96.523%0.22747%0.465CS..  trans174.592.1176.600000113.2R980G978-R980 PolarHBondContact O-N 2.84Å
979L51.4Low59.2Low64 Ų6493.9 Ų93.934%0.33545%0.451SS..G310 helixtrans-66.9-2.4175.4-152.770000113.4F945 H981 F982 C983F945-L979 HydrophobicContact CE1-CD1 3.67Å; F945-L979 HydrophobicContact CE2-CD1 4.47Å; F945-L979 HydrophobicContact CZ-CD1 3.55Å; L979-H981 PolarHBondContact O-N 2.62Å; L979-F982 HydrophobicContact CD1-CB 3.99Å; L979-F982 HydrophobicContact CG-CB 4.38Å; L979-F982 PolarHBondContact O-N 2.78Å; L979-C983 VanDerWaalsContact CD2-SG 3.57Å; L979-C983 PolarHBondContact O-N 2.99Å
980R50.2Low57.1Low230 Ų230100.8 Ų100.887%0.86848%0.477SS*.G310 helixtrans-54.4-10.1175.4-56.4-174.9-170.5-1096.2114.9G978G978-R980 PolarHBondContact O-N 2.84Å
981H45.9Very low55.2Low150 Ų150106.7 Ų106.769%0.69451%0.506SS*.G310 helixtrans-115.95.2175.5-61.4-35.9000114.4L979L979-H981 PolarHBondContact O-N 2.62Å
982F38.5Very low53Low40 Ų40108.9 Ų108.918%0.17552%0.521CS..THydrogen-bonded Turntrans-127.8-37.7-176.6-132.1-100.9000114Y905 R936 Y943 L979 W984Y905-F982 WeakPolarHBondContact OH-CD2 3.07Å; Y905-F982 WeakPolarHBondContact OH-CE2 3.49Å; R936-F982 HydrophobicContact CB-CE1 4.49Å; R936-F982 HydrophobicContact CB-CZ 3.94Å; R936-F982 HydrophobicContact CG-CE1 4.41Å; R936-F982 HydrophobicContact CG-CZ 4.02Å; R936-F982 VanDerWaalsContact NH1-CD2 3.25Å; Y943-F982 AromaticContact CD1-CE2 3.81Å; Y943-F982 HydrophobicContact CD1-CE2 3.81Å; Y943-F982 HydrophobicContact CD1-CZ 4.12Å; Y943-F982 HydrophobicContact CD2-CE2 4.27Å; Y943-F982 AromaticContact CD2-CZ 3.8Å; Y943-F982 HydrophobicContact CD2-CZ 3.8Å; Y943-F982 AromaticContact CE1-CE2 3.98Å; Y943-F982 HydrophobicContact CE1-CE2 3.98Å; Y943-F982 HydrophobicContact CE1-CZ 4.46Å; Y943-F982 HydrophobicContact CE2-CE2 4.46Å; Y943-F982 HydrophobicContact CE2-CZ 4.2Å; Y943-F982 AromaticContact CG-CE2 3.96Å; Y943-F982 HydrophobicContact CG-CE2 3.96Å; Y943-F982 AromaticContact CG-CZ 3.77Å; Y943-F982 HydrophobicContact CG-CZ 3.77Å; L979-F982 HydrophobicContact CD1-CB 3.99Å; L979-F982 HydrophobicContact CG-CB 4.38Å; L979-F982 PolarHBondContact O-N 2.78Å; F982-W984 PolarHBondContact O-N 2.97Å; F982-W984 VanDerWaalsContact O-N 3.11Å
983C35.5Very low50.6Low81 Ų81115.4 Ų115.455%0.54756%0.557SS.*SBendtrans-66.8107.5155.8-78.50000108.2L979L979-C983 VanDerWaalsContact CD2-SG 3.57Å; L979-C983 PolarHBondContact O-N 2.99Å
984W29.1Very low48Very low212 Ų212116.3 Ų116.380%0.80357%0.573SS**PPolyproline II helixtrans-64.6136.1151.7-87.631.1000107.3F982 R986F982-W984 PolarHBondContact O-N 2.97Å; F982-W984 VanDerWaalsContact O-N 3.11Å; W984-R986 PolarHBondContact O-N 2.83Å
985P33Very low45.8Very low65 Ų65123.2 Ų123.242%0.42261%0.605SS.*PPolyproline II helixtrans-52.2135.8-179-28.935.7000111.6D989 Y990P985-D989 HydrophobicContact CB-CB 4.27Å; P985-Y990 HydrophobicContact CB-CD2 4.26Å; P985-Y990 HydrophobicContact CB-CE2 3.84Å; P985-Y990 HydrophobicContact CG-CE2 3.87Å
986R34.3Very low43.6Very low217 Ų217131 Ų13182%0.81964%0.638SS**PPolyproline II helixtrans-70155.5151-69.4-171.4178.4-167.91.4106.6W984 T988 D989W984-R986 PolarHBondContact O-N 2.83Å; R986-T988 PolarHBondContact O-N 3.5Å; R986-D989 PolarHBondContact O-N 3.33Å
987Y34.9Very low41.3Very low229 Ų229130 Ų13090%0.89865%0.654SS**THydrogen-bonded Turntrans-63.42.1-162.5-172.9-110.4000115.9
988T44.6Very low39.9Very low112 Ų112137 Ų13769%0.68769%0.686SS**THydrogen-bonded Turntrans-80.7-27.5179.441.10000114.4R986 Y990R986-T988 PolarHBondContact O-N 3.5Å; T988-Y990 VanDerWaalsContact C-N 3.25Å; T988-Y990 PolarHBondContact O-N 3.28Å; T988-Y990 VanDerWaalsContact O-N 3.16Å
989D41.1Very low39.4Very low115 Ų115140.8 Ų140.862%0.61571%0.707SS**THydrogen-bonded Turntrans-92.324.4-161-44.1-17.5000112.9P985 R986P985-D989 HydrophobicContact CB-CB 4.27Å; R986-D989 PolarHBondContact O-N 3.33Å
990Y41.4Very low38.8Very low172 Ų172143.4 Ų143.468%0.67573%0.727SS**THydrogen-bonded Turntrans-117.5-3.6-169-93.2-67000116P985 T988 S992P985-Y990 HydrophobicContact CB-CD2 4.26Å; P985-Y990 HydrophobicContact CB-CE2 3.84Å; P985-Y990 HydrophobicContact CG-CE2 3.87Å; T988-Y990 VanDerWaalsContact C-N 3.25Å; T988-Y990 PolarHBondContact O-N 3.28Å; T988-Y990 VanDerWaalsContact O-N 3.16Å; Y990-S992 VanDerWaalsContact C-N 3.26Å; Y990-S992 PolarHBondContact O-N 2.8Å
991D41.5Very low38.7Very low167 Ų167137.6 Ų137.689%0.89372%0.722SS**  trans-84.566.1170.7-89-30.6000111.6
992S37.8Very low38.7Very low117 Ų117134.2 Ų134.282%0.81873%0.728SS**SBendtrans-159.396.2161-79.40000108.4Y990Y990-S992 VanDerWaalsContact C-N 3.26Å; Y990-S992 PolarHBondContact O-N 2.8Å
993N36.3Very low39.3Very low148 Ų148139.9 Ų139.979%0.79175%0.752SS**  trans-81.6118.4-172.8-171.339.8000111.6
994S33.2Very low40.9Very low111 Ų111138.7 Ų138.778%0.77675%0.745SS**  trans-127.1124.6156.665.70000107.9
995E45.4Very low43Very low170 Ų170134.8 Ų134.879%0.79473%0.734SS**  trans-73.2-179.4-171.2-63.3-177.684.800113.8
996E37.9Very low45.1Very low192 Ų192136.7 Ų136.790%0.89773%0.733SS**  trans70.194.5154.1-160.7172.4-156.600118.9
997A34.7Very low47.3Very low96 Ų96132.4 Ų132.479%0.79372%0.723SS**  -175.480.4124.200000112.4
998L38Very low49.4Very low167 Ų167126 Ų12687%0.87472%0.717SS**  trans-106.4153161.3-78.3179.7000110.3
999P42.5Very low51.5Low102 Ų102124.2 Ų124.266%0.66270%0.702SS**  trans-68.8153.1-170.628.4-36.1000112.2S1001P999-S1001 PolarHBondContact O-N 3.23Å
1000P40Very low53.6Low119 Ų119123.4 Ų123.477%0.77370%0.698SS**  trans-71.487.6-175.129.7-36.2000112.3
1001S46.5Very low55.8Low107 Ų107123 Ų12375%0.74870%0.699SS**PPolyproline II helixtrans-55.7141.7144.448.70000108.6P999 K1003P999-S1001 PolarHBondContact O-N 3.23Å; S1001-K1003 PolarHBondContact O-N 3.02Å; S1001-K1003 VanDerWaalsContact O-N 3.11Å
1002G46.3Very low58.3Low80 Ų80119.3 Ų119.383%0.82568%0.68SS**PPolyproline II helixtrans-48.1117-165.700000113.6S1004G1002-S1004 PolarHBondContact O-N 3.04Å
1003K51.3Low60.8Low158 Ų158115.5 Ų115.569%0.68765%0.653SS**PPolyproline II helixtrans-48.3134.2-178.6-66-165.2171.4-148.60110.7S1001 E1007S1001-K1003 PolarHBondContact O-N 3.02Å; S1001-K1003 VanDerWaalsContact O-N 3.11Å; K1003-E1007 WeakPolarHBondContact CA-OE2 3.22Å
1004S68.6Low63.5Low57 Ų57111.3 Ų111.340%0.39963%0.63SS.*PPolyproline II helixtrans-64.5141.1176.6-177.80000109.2G1002 Y1006 E1007G1002-S1004 PolarHBondContact O-N 3.04Å; S1004-Y1006 PolarHBondContact O-N 2.65Å; S1004-Y1006 WeakPolarHBondContact OG-CD2 3.23Å; S1004-E1007 PolarHBondContact N-OE2 3.5Å; S1004-E1007 WeakPolarHBondContact O-CB 3.43Å; S1004-E1007 PolarHBondContact O-N 3.22Å
1005K73.5Confident66.3Low130 Ų130109.7 Ų109.757%0.56561%0.612SS**THydrogen-bonded Turntrans-59.1-22.1177.258.6154.5177.1152.10112.9M1009 E1017K1005-M1009 VanDerWaalsContact O-CG 3.29Å; K1005-M1009 WeakPolarHBondContact O-CG 3.49Å; K1005-E1017 IonicContact NZ-OE1 2.65Å; K1005-E1017 PolarHBondContact NZ-OE1 3.22Å; K1005-E1017 IonicContact NZ-OE2 2.59Å
1006Y78.1Confident68.3Low105 Ų105106.1 Ų106.141%0.41259%0.594SS.*THydrogen-bonded Turntrans-76.6-20.7175.5-61-69.7000113.4S1004 A1008 M1009 L1014 E1017S1004-Y1006 PolarHBondContact O-N 2.65Å; S1004-Y1006 WeakPolarHBondContact OG-CD2 3.23Å; Y1006-A1008 VanDerWaalsContact C-N 3.3Å; Y1006-A1008 PolarHBondContact O-N 3.17Å; Y1006-M1009 PolarHBondContact O-N 3.37Å; Y1006-L1014 HydrophobicContact CD1-CD2 3.7Å; Y1006-L1014 HydrophobicContact CG-CD2 4.25Å; Y1006-L1014 WeakPolarHBondContact O-CD2 3.38Å; Y1006-E1017 VanDerWaalsContact CE1-CD 3.43Å; Y1006-E1017 HydrophobicContact CE1-CG 4.38Å; Y1006-E1017 WeakPolarHBondContact CE1-OE1 3.16Å; Y1006-E1017 VanDerWaalsContact CZ-OE1 3.31Å; Y1006-E1017 PolarHBondContact OH-OE1 3.29Å
1007E79.4Confident70.8Confident127 Ų12799.2 Ų99.259%0.59356%0.562SS**THydrogen-bonded Turntrans-81.5-8.7-171.1-156.2-176.8142.600113.6K1003 S1004K1003-E1007 WeakPolarHBondContact CA-OE2 3.22Å; S1004-E1007 PolarHBondContact N-OE2 3.5Å; S1004-E1007 WeakPolarHBondContact O-CB 3.43Å; S1004-E1007 PolarHBondContact O-N 3.22Å
1008A80.1Confident73.5Confident94 Ų9497 Ų9778%0.77754%0.544SS*.THydrogen-bonded Turntrans-116.710176.100000112.8Y1006Y1006-A1008 VanDerWaalsContact C-N 3.3Å; Y1006-A1008 PolarHBondContact O-N 3.17Å
1009M87.3Confident75.8Confident74 Ų7494.5 Ų94.537%0.36553%0.528SS..SBendtrans-98.4139.6179.8-67.2-77.4-91.300109.4K1005 Y1006 L1014K1005-M1009 VanDerWaalsContact O-CG 3.29Å; K1005-M1009 WeakPolarHBondContact O-CG 3.49Å; Y1006-M1009 PolarHBondContact O-N 3.37Å; M1009-L1014 HydrophobicContact CB-CD2 3.85Å; M1009-L1014 HydrophobicContact CB-CG 3.82Å
1010D85.6Confident77.7Confident99 Ų9996.4 Ų96.453%0.52953%0.528SS..  trans-69.8162171.762.921.8000111.5D1012 S1013 L1014D1010-D1012 PolarHBondContact O-N 3.19Å; D1010-S1013 PolarHBondContact O-N 3.49Å; D1010-S1013 VanDerWaalsContact O-N 3.08Å; D1010-S1013 WeakPolarHBondContact OD1-CA 3.3Å; D1010-S1013 WeakPolarHBondContact OD1-CB 3.46Å; D1010-S1013 PolarHBondContact OD1-N 3.07Å; D1010-S1013 PolarHBondContact OD1-OG 2.79Å; D1010-L1014 WeakPolarHBondContact O-CG 3.15Å; D1010-L1014 PolarHBondContact O-N 3.14Å
1011F88.8Confident79.7Confident162 Ų16295 Ų9571%0.71152%0.521SS*.Hα-helixtrans-53.9-38-178.4-178.8-92.9000112.4L1014 L1015F1011-L1014 PolarHBondContact O-N 2.95Å; F1011-L1015 HydrophobicContact CE1-CD2 4.31Å; F1011-L1015 VanDerWaalsContact O-CB 3.27Å; F1011-L1015 WeakPolarHBondContact O-CB 3.36Å; F1011-L1015 PolarHBondContact O-N 3.02Å
1012D92.3Very high81.1Confident90 Ų9096.9 Ų96.948%0.48152%0.521SS..Hα-helixtrans-68.1-37.6-179.8-11749.5000112.8D1010 K1016D1010-D1012 PolarHBondContact O-N 3.19Å; D1012-K1016 WeakPolarHBondContact O-CB 3.41Å; D1012-K1016 VanDerWaalsContact O-CD 3.23Å; D1012-K1016 WeakPolarHBondContact O-CD 3.33Å; D1012-K1016 WeakPolarHBondContact O-CG 3.46Å; D1012-K1016 PolarHBondContact O-N 3.32Å; D1012-K1016 IonicContact OD2-NZ 3.98Å; D1012-K1016 PolarHBondContact OD2-NZ 3.07Å
1013S91.3Very high81.7Confident37 Ų37104.3 Ų104.326%0.25953%0.534SS..Hα-helixtrans-79.5-33.7176.6-56.80000111.8D1010 K1016 E1017D1010-S1013 PolarHBondContact O-N 3.49Å; D1010-S1013 VanDerWaalsContact O-N 3.08Å; D1010-S1013 WeakPolarHBondContact OD1-CA 3.3Å; D1010-S1013 WeakPolarHBondContact OD1-CB 3.46Å; D1010-S1013 PolarHBondContact OD1-N 3.07Å; D1010-S1013 PolarHBondContact OD1-OG 2.79Å; S1013-K1016 PolarHBondContact O-N 3.06Å; S1013-E1017 WeakPolarHBondContact O-CB 3.39Å; S1013-E1017 PolarHBondContact O-N 3.02Å
1014L92.9Very high83.2Confident61 Ų61101.6 Ų101.632%0.31953%0.527SS..Hα-helixtrans-61.2-46.9168.5-75176.5000111.5Y1006 M1009 D1010 F1011 K1016 E1017 A1018Y1006-L1014 HydrophobicContact CD1-CD2 3.7Å; Y1006-L1014 HydrophobicContact CG-CD2 4.25Å; Y1006-L1014 WeakPolarHBondContact O-CD2 3.38Å; M1009-L1014 HydrophobicContact CB-CD2 3.85Å; M1009-L1014 HydrophobicContact CB-CG 3.82Å; D1010-L1014 WeakPolarHBondContact O-CG 3.15Å; D1010-L1014 PolarHBondContact O-N 3.14Å; F1011-L1014 PolarHBondContact O-N 2.95Å; L1014-K1016 VanDerWaalsContact C-N 3.34Å; L1014-K1016 PolarHBondContact O-N 2.95Å; L1014-E1017 PolarHBondContact O-N 2.57Å; L1014-A1018 WeakPolarHBondContact O-CB 3.37Å; L1014-A1018 PolarHBondContact O-N 3.38Å
1015L91.4Very high84Confident76 Ų76103.9 Ų103.940%0.39853%0.533SS..Hα-helixtrans-63.7-39.9177.3-176.559.4000111.5F1011 Q1019F1011-L1015 HydrophobicContact CE1-CD2 4.31Å; F1011-L1015 VanDerWaalsContact O-CB 3.27Å; F1011-L1015 WeakPolarHBondContact O-CB 3.36Å; F1011-L1015 PolarHBondContact O-N 3.02Å; L1015-Q1019 WeakPolarHBondContact O-CB 3.21Å; L1015-Q1019 WeakPolarHBondContact O-CG 3.43Å; L1015-Q1019 PolarHBondContact O-N 3.32Å
1016K87.7Confident84.5Confident95 Ų95102.5 Ų102.541%0.41353%0.531SS..Hα-helixtrans-66.4-42.7174.3-73.7160.5-162.61390112.5D1012 S1013 L1014 Q1019 Q1020D1012-K1016 WeakPolarHBondContact O-CB 3.41Å; D1012-K1016 VanDerWaalsContact O-CD 3.23Å; D1012-K1016 WeakPolarHBondContact O-CD 3.33Å; D1012-K1016 WeakPolarHBondContact O-CG 3.46Å; D1012-K1016 PolarHBondContact O-N 3.32Å; D1012-K1016 IonicContact OD2-NZ 3.98Å; D1012-K1016 PolarHBondContact OD2-NZ 3.07Å; S1013-K1016 PolarHBondContact O-N 3.06Å; L1014-K1016 VanDerWaalsContact C-N 3.34Å; L1014-K1016 PolarHBondContact O-N 2.95Å; K1016-Q1019 PolarHBondContact O-N 3.29Å; K1016-Q1020 WeakPolarHBondContact O-CB 3.26Å; K1016-Q1020 WeakPolarHBondContact O-CG 3.46Å; K1016-Q1020 PolarHBondContact O-N 3.41Å
1017E90.4Very high84.9Confident48 Ų48102.4 Ų102.422%0.22454%0.539CS..Hα-helixtrans-68.1-38.3177.5-159.8-175.3138.800111.2K1005 Y1006 S1013 L1014 Q1020 S1021K1005-E1017 IonicContact NZ-OE1 2.65Å; K1005-E1017 PolarHBondContact NZ-OE1 3.22Å; K1005-E1017 IonicContact NZ-OE2 2.59Å; Y1006-E1017 VanDerWaalsContact CE1-CD 3.43Å; Y1006-E1017 HydrophobicContact CE1-CG 4.38Å; Y1006-E1017 WeakPolarHBondContact CE1-OE1 3.16Å; Y1006-E1017 VanDerWaalsContact CZ-OE1 3.31Å; Y1006-E1017 PolarHBondContact OH-OE1 3.29Å; S1013-E1017 WeakPolarHBondContact O-CB 3.39Å; S1013-E1017 PolarHBondContact O-N 3.02Å; L1014-E1017 PolarHBondContact O-N 2.57Å; E1017-Q1020 PolarHBondContact O-N 3.45Å; E1017-S1021 WeakPolarHBondContact O-CB 3.43Å; E1017-S1021 PolarHBondContact O-N 3.26Å
1018A90.5Very high85.3Confident49 Ų49100.8 Ų100.841%0.40554%0.535SS..Hα-helixtrans-61.4-46.2172.900000111.9L1014 Q1020 S1021 L1022L1014-A1018 WeakPolarHBondContact O-CB 3.37Å; L1014-A1018 PolarHBondContact O-N 3.38Å; A1018-Q1020 VanDerWaalsContact C-N 3.35Å; A1018-Q1020 PolarHBondContact O-N 3.47Å; A1018-S1021 PolarHBondContact O-N 2.61Å; A1018-S1021 PolarHBondContact O-OG 3.3Å; A1018-L1022 PolarHBondContact O-N 3.5Å
1019Q87.1Confident85.6Confident114 Ų114101.3 Ų101.353%0.53352%0.519SS..Hα-helixtrans-64.3-36.5175.5-73.8171.1-0.100112.7L1015 K1016 S1021 L1022L1015-Q1019 WeakPolarHBondContact O-CB 3.21Å; L1015-Q1019 WeakPolarHBondContact O-CG 3.43Å; L1015-Q1019 PolarHBondContact O-N 3.32Å; K1016-Q1019 PolarHBondContact O-N 3.29Å; Q1019-S1021 VanDerWaalsContact C-N 3.33Å; Q1019-L1022 PolarHBondContact O-N 2.92Å
1020Q82.3Confident85.5Confident143 Ų143103.2 Ų103.267%0.66853%0.53SS*.Hα-helixtrans-70.9-27.2173.9-73.3171.417.700112.8K1016 E1017 A1018 L1022K1016-Q1020 WeakPolarHBondContact O-CB 3.26Å; K1016-Q1020 WeakPolarHBondContact O-CG 3.46Å; K1016-Q1020 PolarHBondContact O-N 3.41Å; E1017-Q1020 PolarHBondContact O-N 3.45Å; A1018-Q1020 VanDerWaalsContact C-N 3.35Å; A1018-Q1020 PolarHBondContact O-N 3.47Å; Q1020-L1022 PolarHBondContact O-N 2.71Å
1021S82.1Confident85.5Confident89 Ų89103.5 Ų103.562%0.62253%0.53SS*.THydrogen-bonded Turntrans-77.4-5.117675.40000114.6E1017 A1018 Q1019E1017-S1021 WeakPolarHBondContact O-CB 3.43Å; E1017-S1021 PolarHBondContact O-N 3.26Å; A1018-S1021 PolarHBondContact O-N 2.61Å; A1018-S1021 PolarHBondContact O-OG 3.3Å; Q1019-S1021 VanDerWaalsContact C-N 3.33Å
1022L75.4Confident85.2Confident146 Ų14698.7 Ų98.776%0.76452%0.515SS*.THydrogen-bonded Turntrans-964.3179.2-114.675.7000114A1018 Q1019 Q1020A1018-L1022 PolarHBondContact O-N 3.5Å; Q1019-L1022 PolarHBondContact O-N 2.92Å; Q1020-L1022 PolarHBondContact O-N 2.71Å
1023H58.9Low84.5Confident236 Ų23699.5 Ų99.5100%1.09352%0.518SS*.  trans-134.30-174.5-80.7-60.8000113

Retrieved 1,023 of 1,023 residues in 198.6 ms (Link to these results)