A0A087YJK7_POEFO Loading...

Protein aurora borealis

AlphaFold DB , UniProt , Accession A0A087YJK7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 551 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
1M37.8Very low45.5Very low245 Ų245138.6 Ų138.6100%1.20775%0.747SS**  0118.80-67.5164.6106.500105.5
2G37.3Very low46.1Very low67 Ų67143.4 Ų143.469%0.69176%0.761SS**  trans-114.8120.1175.500000107.5H4G2-H4 PolarHBondContact O-N 3Å
3D40.8Very low46Very low155 Ų155139.2 Ų139.283%0.82974%0.744SS**  trans-76.4106.3-179.5-69.3-26000109.2I5D3-I5 PolarHBondContact O-N 3.35Å; D3-I5 VanDerWaalsContact O-N 3.09Å
4H40.9Very low45.7Very low186 Ų186138.4 Ų138.486%0.86175%0.751SS**  trans-68.8100.7163.3-84.3-92.8000108.2G2 E6G2-H4 PolarHBondContact O-N 3Å; H4-E6 PolarHBondContact O-N 2.88Å
5I49.2Very low46.3Very low145 Ų145134.5 Ų134.574%0.74476%0.756SS**  trans-75.484.9166.5-56.2177.6000107.1D3 V7D3-I5 PolarHBondContact O-N 3.35Å; D3-I5 VanDerWaalsContact O-N 3.09Å; I5-V7 HydrophobicContact CG2-CG2 4.33Å; I5-V7 PolarHBondContact O-N 2.88Å
6E45.4Very low46.6Very low162 Ų162139.1 Ų139.176%0.75776%0.758SS**  trans-66.8101.6170-171.2173.1-148.700108.2H4 Q8H4-E6 PolarHBondContact O-N 2.88Å; E6-Q8 PolarHBondContact O-N 3.17Å
7V50.8Low47Very low93 Ų93137.3 Ų137.356%0.56476%0.755SS**  trans-72.586.6178.3-177.10000108.5I5 I9I5-V7 HydrophobicContact CG2-CG2 4.33Å; I5-V7 PolarHBondContact O-N 2.88Å; V7-I9 HydrophobicContact CG1-CG1 4.37Å; V7-I9 PolarHBondContact O-N 3.13Å
8Q45.6Very low47.8Very low156 Ų156135.3 Ų135.373%0.72975%0.753SS**  trans-70.495.5177.5-155.6168.466.700108.6E6 T10E6-Q8 PolarHBondContact O-N 3.17Å; Q8-T10 VanDerWaalsContact C-N 3.3Å; Q8-T10 PolarHBondContact O-N 2.75Å
9I55.5Low48.5Very low126 Ų126137.1 Ų137.165%0.64676%0.758SS**  trans-71.789.5175.2-56.4175.2000107.8V7V7-I9 HydrophobicContact CG1-CG1 4.37Å; V7-I9 PolarHBondContact O-N 3.13Å
10T45.8Very low49.4Very low110 Ų110135.3 Ų135.368%0.67574%0.74SS**  trans-61.7126.2173.6-430000109.1Q8 E12Q8-T10 VanDerWaalsContact C-N 3.3Å; Q8-T10 PolarHBondContact O-N 2.75Å; T10-E12 PolarHBondContact O-N 2.86Å
11P51.1Low50.3Low80 Ų80131.9 Ų131.952%0.51972%0.72SS.*  trans-64.6128.2174.126.6-33.2000109.7T13P11-T13 PolarHBondContact O-N 3.37Å
12E53.2Low52Low196 Ų196125.9 Ų125.992%0.91670%0.7SS**SBendtrans-66.1-4.7-174.1-151.3-176.3-160.300113.8T10T10-E12 PolarHBondContact O-N 2.86Å
13T44.8Very low53.4Low88 Ų88131.4 Ų131.454%0.5471%0.705SS.*SBendtrans-150.3132.6168.5-440000110.4P11 G15P11-T13 PolarHBondContact O-N 3.37Å; T13-G15 PolarHBondContact O-N 3.29Å
14P42.2Very low54.7Low128 Ų128127.1 Ų127.183%0.83168%0.68SS**THydrogen-bonded Turntrans-58.9126.2173.8-23.934.2000112
15G53.8Low55.9Low81 Ų81120.4 Ų120.484%0.83565%0.654SS**THydrogen-bonded Turntrans106-3.616700000117.4T13T13-G15 PolarHBondContact O-N 3.29Å
16R51.2Low56.7Low207 Ų207117.5 Ų117.578%0.78165%0.645SS**SBendtrans-99.1134.3167.6-68.1-170.4178.6-149.2-0.3110.6
17P52.9Low57.5Low109 Ų109114.5 Ų114.571%0.70863%0.634SS**  trans-63.9143.8171.128.4-33.5000109.5I19P17-I19 PolarHBondContact O-N 3.41Å
18S62.6Low58.2Low102 Ų102113.2 Ų113.271%0.71362%0.624SS**  trans-61.5106.7173.3178.10000109.1R20S18-R20 PolarHBondContact O-N 3.22Å
19I60.5Low59Low168 Ų168110.5 Ų110.586%0.86261%0.608SS**  trans-76.583.2171.3-59.1177.8000106.6P17P17-I19 PolarHBondContact O-N 3.41Å
20R66.2Low59.2Low102 Ų102109.3 Ų109.339%0.38560%0.599SS.*  trans-81.4128.7173.8-172.4-173-179.59434.7108.9S18 E24 S25 P26S18-R20 PolarHBondContact O-N 3.22Å; R20-E24 VanDerWaalsContact CZ-O 3.3Å; R20-E24 PolarHBondContact NE-O 3.26Å; R20-E24 PolarHBondContact NH2-O 2.87Å; R20-S25 PolarHBondContact NH2-O 3.34Å; R20-P26 VanDerWaalsContact NH2-CA 3.31Å
21N69.6Low59.9Low63 Ų63110 Ų11034%0.33759%0.594SS.*  trans-55.5123.4170.11744.8000109.7F23 E24N21-F23 PolarHBondContact O-N 3.35Å; N21-F23 VanDerWaalsContact O-N 3.11Å; N21-F23 WeakPolarHBondContact OD1-CD2 3.38Å; N21-F23 PolarHBondContact OD1-N 3.41Å; N21-E24 HydrophobicContact CB-CB 4.21Å; N21-E24 HydrophobicContact CB-CG 4.45Å; N21-E24 WeakPolarHBondContact CB-OE2 3.16Å; N21-E24 PolarHBondContact ND2-OE2 2.87Å; N21-E24 PolarHBondContact O-N 3.06Å; N21-E24 VanDerWaalsContact O-N 3.11Å
22P73.2Confident60.3Low119 Ų119112.6 Ų112.677%0.77360%0.603SS**THydrogen-bonded Turntrans-66.1-12.7-177.327.7-35.8000113.6
23F65.8Low60.5Low183 Ų183114 Ų11480%0.80360%0.6SS**THydrogen-bonded Turntrans-95.8-6.4176.2-56.8-73.1000114.2N21N21-F23 PolarHBondContact O-N 3.35Å; N21-F23 VanDerWaalsContact O-N 3.11Å; N21-F23 WeakPolarHBondContact OD1-CD2 3.38Å; N21-F23 PolarHBondContact OD1-N 3.41Å
24E67.6Low61.4Low65 Ų65115.8 Ų115.830%0.30460%0.603SS.*  trans-101.4113.2177.2-86.5168.5111.100111.1R20 N21 Y29R20-E24 VanDerWaalsContact CZ-O 3.3Å; R20-E24 PolarHBondContact NE-O 3.26Å; R20-E24 PolarHBondContact NH2-O 2.87Å; N21-E24 HydrophobicContact CB-CB 4.21Å; N21-E24 HydrophobicContact CB-CG 4.45Å; N21-E24 WeakPolarHBondContact CB-OE2 3.16Å; N21-E24 PolarHBondContact ND2-OE2 2.87Å; N21-E24 PolarHBondContact O-N 3.06Å; N21-E24 VanDerWaalsContact O-N 3.11Å; E24-Y29 WeakPolarHBondContact OE1-CE1 3.38Å; E24-Y29 PolarHBondContact OE1-OH 3.31Å; E24-Y29 PolarHBondContact OE2-OH 3.41Å
25S68.1Low62.1Low45 Ų45115.3 Ų115.332%0.31560%0.6SS.*  trans-72.6153.8174.7103.30000111.2R20 N27 D28R20-S25 PolarHBondContact NH2-O 3.34Å; S25-N27 PolarHBondContact O-N 3.33Å; S25-N27 VanDerWaalsContact O-N 3.15Å; S25-N27 PolarHBondContact OG-N 2.95Å; S25-D28 WeakPolarHBondContact CB-OD1 3.12Å; S25-D28 WeakPolarHBondContact CB-OD2 3.43Å; S25-D28 PolarHBondContact N-OD2 2.86Å; S25-D28 PolarHBondContact O-N 2.77Å; S25-D28 PolarHBondContact OG-N 3.41Å; S25-D28 PolarHBondContact OG-OD1 3Å
26P65.8Low62.1Low85 Ų85119.7 Ų119.755%0.55260%0.603SS**THydrogen-bonded Turntrans-57.3-26.9175.8-24.133.3000113.6R20R20-P26 VanDerWaalsContact NH2-CA 3.31Å
27N61.3Low62.2Low99 Ų99115.3 Ų115.353%0.52960%0.599SS.*THydrogen-bonded Turntrans-85.6-18.6-178-83.80.7000114.4S25 Y29 H30S25-N27 PolarHBondContact O-N 3.33Å; S25-N27 VanDerWaalsContact O-N 3.15Å; S25-N27 PolarHBondContact OG-N 2.95Å; N27-Y29 PolarHBondContact O-N 3.16Å; N27-H30 WeakPolarHBondContact O-CB 3.32Å; N27-H30 PolarHBondContact O-N 3.32Å
28D65.1Low62.1Low66 Ų66115.7 Ų115.735%0.35360%0.601SS.*Hα-helixtrans-62.4-34.2-172.9-58.7-12.2000111.1S25 H30 H31 L32S25-D28 WeakPolarHBondContact CB-OD1 3.12Å; S25-D28 WeakPolarHBondContact CB-OD2 3.43Å; S25-D28 PolarHBondContact N-OD2 2.86Å; S25-D28 PolarHBondContact O-N 2.77Å; S25-D28 PolarHBondContact OG-N 3.41Å; S25-D28 PolarHBondContact OG-OD1 3Å; D28-H30 VanDerWaalsContact C-N 3.33Å; D28-H30 PolarHBondContact O-N 3.44Å; D28-H31 PolarHBondContact O-N 3.02Å; D28-L32 PolarHBondContact O-N 3.34Å
29Y62.6Low61.1Low99 Ų99116.1 Ų116.139%0.38860%0.604SS.*Hα-helixtrans-69.6-22.6175.3-57.3-65.3000114.8E24 N27 L32E24-Y29 WeakPolarHBondContact OE1-CE1 3.38Å; E24-Y29 PolarHBondContact OE1-OH 3.31Å; E24-Y29 PolarHBondContact OE2-OH 3.41Å; N27-Y29 PolarHBondContact O-N 3.16Å; Y29-L32 HydrophobicContact CD1-CD1 4.18Å
30H60.8Low60.8Low101 Ų101114 Ų11447%0.46860%0.601SS.*Hα-helixtrans-71.4-38.9177-72.3-57000110.9N27 D28 L32 R33N27-H30 WeakPolarHBondContact O-CB 3.32Å; N27-H30 PolarHBondContact O-N 3.32Å; D28-H30 VanDerWaalsContact C-N 3.33Å; D28-H30 PolarHBondContact O-N 3.44Å; H30-L32 VanDerWaalsContact C-N 3.33Å; H30-L32 PolarHBondContact O-N 3.1Å; H30-R33 PolarHBondContact O-N 3.18Å
31H59Low60Low123 Ų123113.3 Ų113.357%0.56961%0.612SS**Hα-helixtrans-71.6-26.4178.1-57.1169.7000112.6D28 R33 E34D28-H31 PolarHBondContact O-N 3.02Å; H31-R33 PolarHBondContact O-N 3.48Å; H31-E34 IonicContact CD2-OE1 3.15Å; H31-E34 PolarHBondContact O-N 3.07Å
32L60.4Low59.3Low136 Ų136116.4 Ų116.471%0.71263%0.633SS**THydrogen-bonded Turntrans-69.5-15173.9-65.9176.3000113.9D28 Y29 H30D28-L32 PolarHBondContact O-N 3.34Å; Y29-L32 HydrophobicContact CD1-CD1 4.18Å; H30-L32 VanDerWaalsContact C-N 3.33Å; H30-L32 PolarHBondContact O-N 3.1Å
33R57.5Low58.4Low225 Ų225119.5 Ų119.585%0.84964%0.635SS**THydrogen-bonded Turntrans-95.7-9.1176.8-67.7-73-179.7112.5-0.5113H30 H31H30-R33 PolarHBondContact O-N 3.18Å; H31-R33 PolarHBondContact O-N 3.48Å
34E63.7Low57.8Low126 Ų126120.7 Ų120.759%0.58963%0.634SS**SBendtrans-68132.6173.2-65.8-174.8-173.800109.4H31 L36H31-E34 IonicContact CD2-OE1 3.15Å; H31-E34 PolarHBondContact O-N 3.07Å; E34-L36 PolarHBondContact O-N 3.32Å
35P56.8Low57.1Low118 Ų118123.4 Ų123.477%0.76666%0.66SS**  trans-58114.2175.7-24.234.1000109.9V37P35-V37 VanDerWaalsContact C-N 3.28Å; P35-V37 PolarHBondContact O-N 3.12Å
36L53.4Low56.5Low173 Ų173130.3 Ų130.391%0.90668%0.684SS**  trans-61.288.7176.6-79163.3000109.9E34 P38E34-L36 PolarHBondContact O-N 3.32Å; L36-P38 WeakPolarHBondContact O-CD 3.44Å
37V54Low55.8Low115 Ų115132.2 Ų132.270%0.69770%0.697SS**  trans-59.8119.7167.2-177.30000106.4P35 S39P35-V37 VanDerWaalsContact C-N 3.28Å; P35-V37 PolarHBondContact O-N 3.12Å; V37-S39 PolarHBondContact O-N 3.08Å; V37-S39 PolarHBondContact O-OG 3.24Å
38P49.5Very low54.9Low117 Ų117132.6 Ų132.676%0.7671%0.706SS**  trans-65.8100-175.426.1-33.8000108.7L36 P40L36-P38 WeakPolarHBondContact O-CD 3.44Å; P38-P40 WeakPolarHBondContact O-CD 3.41Å
39S42.3Very low54.3Low111 Ų111139.1 Ų139.178%0.77673%0.731SS**  trans-81.4109.6-175.8-71.20000109.9V37 S41V37-S39 PolarHBondContact O-N 3.08Å; V37-S39 PolarHBondContact O-OG 3.24Å; S39-S41 PolarHBondContact O-N 3.4Å
40P54.1Low54Low123 Ų123138.9 Ų138.980%0.79975%0.75SS**  trans-91.995.3-175.833.6-24.5000109.7P38P38-P40 WeakPolarHBondContact O-CD 3.41Å
41S50Low53.9Low87 Ų87139 Ų13961%0.60876%0.757SS**  trans-159.986163.9-96.30000113.4S39S39-S41 PolarHBondContact O-N 3.4Å
42V54.7Low53.9Low129 Ų129138 Ų13878%0.78276%0.762SS**SBendtrans-77.2-11.7162.9-179.10000111.4
43F54.7Low54Low183 Ų183137.9 Ų137.980%0.80377%0.77SS**SBendtrans-13649-172.7-59.9-69.9000115.2
44R52.2Low54.4Low208 Ų208135.6 Ų135.679%0.78577%0.766SS**  trans-139.184166.1-70.4-66.5-178.1141.51111.1K46R44-K46 PolarHBondContact O-N 3.4Å
45S52.6Low54.7Low122 Ų122137.4 Ų137.485%0.85377%0.772SS**  trans-65.5102.8167.852.50000110.1
46K55.1Low55.8Low191 Ų191136.9 Ų136.983%0.8376%0.763SS**  trans-67.5136.3163.7-65179.2-177.3174.70107.7R44 C48R44-K46 PolarHBondContact O-N 3.4Å; K46-C48 PolarHBondContact O-N 3.32Å
47P52Low57.3Low124 Ų124134.8 Ų134.881%0.80574%0.743SS**  trans-66.7102.5174.827-32.6000108.9K49P47-K49 PolarHBondContact O-N 3.47Å
48C41.5Very low58.9Low107 Ų107131.2 Ų131.272%0.72372%0.723SS**  trans-64.1123.3172.8-163.10000108K46 A50K46-C48 PolarHBondContact O-N 3.32Å; C48-A50 PolarHBondContact O-N 2.93Å
49K53.7Low60.7Low203 Ų203132.5 Ų132.588%0.88372%0.722SS**SBendtrans-75.2113.5-179.9-74.3-170175.8-175.10109.3P47P47-K49 PolarHBondContact O-N 3.47Å
50A55.8Low62.9Low95 Ų95133.4 Ų133.479%0.78572%0.718SS**  trans60.361.3163.400000116.8C48C48-A50 PolarHBondContact O-N 2.93Å
51T58.2Low64.5Low102 Ų102132 Ų13263%0.62670%0.701SS**SBend-70.2144.3128.345.10000108.3P53T51-P53 WeakPolarHBondContact O-CD 3.33Å
52P59.2Low66.3Low103 Ų103133.4 Ų133.467%0.66970%0.699SS**  trans-52.9123.2174.1-27.435.7000109.9K54P52-K54 PolarHBondContact O-N 3Å
53P63.3Low67.7Low134 Ų134131.1 Ų131.187%0.8769%0.694SS**SBendtrans-61.1-19.1-166.1-28.735.7000115.5T51T51-P53 WeakPolarHBondContact O-CD 3.33Å
54K65.9Low69.2Low176 Ų176126.3 Ų126.377%0.76568%0.683SS**  trans-149.785.9179.4-60.4-176.4-177.2176.80109.4P52 N56P52-K54 PolarHBondContact O-N 3Å; K54-N56 VanDerWaalsContact C-N 3.27Å; K54-N56 WeakPolarHBondContact CB-OD1 3.1Å; K54-N56 PolarHBondContact O-N 3.27Å
55F69.3Low70.9Confident165 Ų165121.2 Ų121.272%0.72467%0.671SS**  trans-86.381.5155.1-175.3-106.8000107.5W57F55-W57 AromaticContact CE1-CD1 3.78Å; F55-W57 AromaticContact CE1-NE1 3.27Å; F55-W57 VanDerWaalsContact CE1-NE1 3.27Å; F55-W57 AromaticContact CZ-CD1 3.92Å; F55-W57 AromaticContact CZ-CE2 3.66Å; F55-W57 AromaticContact CZ-CZ2 3.96Å; F55-W57 HydrophobicContact CZ-CZ2 3.96Å; F55-W57 AromaticContact CZ-NE1 3.17Å
56N79.8Confident72.5Confident106 Ų106122.7 Ų122.757%0.56767%0.668SS**  trans-112.5117.417064-62.6000107.5K54 S58K54-N56 VanDerWaalsContact C-N 3.27Å; K54-N56 WeakPolarHBondContact CB-OD1 3.1Å; K54-N56 PolarHBondContact O-N 3.27Å; N56-S58 PolarHBondContact O-N 2.88Å
57W84.8Confident74Confident129 Ų129119.4 Ų119.449%0.48967%0.667SS.*  trans-63.3122.8163.5-65.482.6000107.7F55 E61 M62 L65F55-W57 AromaticContact CE1-CD1 3.78Å; F55-W57 AromaticContact CE1-NE1 3.27Å; F55-W57 VanDerWaalsContact CE1-NE1 3.27Å; F55-W57 AromaticContact CZ-CD1 3.92Å; F55-W57 AromaticContact CZ-CE2 3.66Å; F55-W57 AromaticContact CZ-CZ2 3.96Å; F55-W57 HydrophobicContact CZ-CZ2 3.96Å; F55-W57 AromaticContact CZ-NE1 3.17Å; W57-E61 HydrophobicContact CE3-CB 3.88Å; W57-E61 HydrophobicContact CZ3-CB 4.47Å; W57-M62 HydrophobicContact CB-CG 3.54Å; W57-M62 HydrophobicContact CB-SD 4.16Å; W57-M62 HydrophobicContact CD2-CG 4.5Å; W57-M62 HydrophobicContact CE3-CG 4.43Å; W57-M62 HydrophobicContact CG-CG 4.18Å; W57-L65 HydrophobicContact CE3-CD1 4.4Å; W57-L65 HydrophobicContact CH2-CD1 4.32Å; W57-L65 HydrophobicContact CH2-CD2 3.91Å; W57-L65 HydrophobicContact CZ3-CD1 4.03Å; W57-L65 HydrophobicContact CZ3-CD2 3.74Å; W57-L65 HydrophobicContact CZ3-CG 4.05Å
58S87.8Confident75.6Confident40 Ų40119.6 Ų119.628%0.2867%0.665SS.*  trans-67158.8161.9630000110N56 D60 E61 M62N56-S58 PolarHBondContact O-N 2.88Å; S58-D60 PolarHBondContact O-N 3.06Å; S58-E61 VanDerWaalsContact CB-OE2 3.26Å; S58-E61 WeakPolarHBondContact CB-OE2 3.34Å; S58-E61 PolarHBondContact N-OE2 3.39Å; S58-E61 PolarHBondContact O-N 3.05Å; S58-E61 WeakPolarHBondContact OG-CB 3.22Å; S58-E61 WeakPolarHBondContact OG-CG 3.42Å; S58-E61 PolarHBondContact OG-N 2.79Å; S58-E61 PolarHBondContact OG-OE2 2.84Å; S58-M62 PolarHBondContact O-N 3Å
59I86.6Confident77.8Confident144 Ų144122.4 Ų122.474%0.73867%0.667SS**Hα-helixtrans-60-36.8177.8-62.9172.5000110M62 A63I59-M62 PolarHBondContact O-N 2.83Å; I59-A63 VanDerWaalsContact O-CB 3.28Å; I59-A63 WeakPolarHBondContact O-CB 3.31Å; I59-A63 PolarHBondContact O-N 3.5Å
60D89.5Confident79.5Confident130 Ų130118.1 Ų118.170%0.69565%0.653SS**Hα-helixtrans-67.9-39.6177.4-54.8-53.3000112.2S58 A63 S64S58-D60 PolarHBondContact O-N 3.06Å; D60-A63 PolarHBondContact O-N 2.89Å; D60-S64 PolarHBondContact O-N 2.92Å
61E87.9Confident81.2Confident95 Ų95116.4 Ų116.444%0.44463%0.63SS.*Hα-helixtrans-66-40173.2-72.7161.4135.100111.6W57 S58 S64W57-E61 HydrophobicContact CE3-CB 3.88Å; W57-E61 HydrophobicContact CZ3-CB 4.47Å; S58-E61 VanDerWaalsContact CB-OE2 3.26Å; S58-E61 WeakPolarHBondContact CB-OE2 3.34Å; S58-E61 PolarHBondContact N-OE2 3.39Å; S58-E61 PolarHBondContact O-N 3.05Å; S58-E61 WeakPolarHBondContact OG-CB 3.22Å; S58-E61 WeakPolarHBondContact OG-CG 3.42Å; S58-E61 PolarHBondContact OG-N 2.79Å; S58-E61 PolarHBondContact OG-OE2 2.84Å; E61-S64 PolarHBondContact O-N 2.86Å; E61-S64 PolarHBondContact O-OG 3.01Å
62M87.9Confident82.6Confident115 Ų115115.2 Ų115.257%0.56763%0.625SS**Hα-helixtrans-64.8-40.4172.6-66.3-171.364.100112.3W57 S58 I59 S64 L65W57-M62 HydrophobicContact CB-CG 3.54Å; W57-M62 HydrophobicContact CB-SD 4.16Å; W57-M62 HydrophobicContact CD2-CG 4.5Å; W57-M62 HydrophobicContact CE3-CG 4.43Å; W57-M62 HydrophobicContact CG-CG 4.18Å; S58-M62 PolarHBondContact O-N 3Å; I59-M62 PolarHBondContact O-N 2.83Å; M62-S64 PolarHBondContact O-N 3.49Å; M62-L65 WeakPolarHBondContact O-CB 3.36Å; M62-L65 PolarHBondContact O-N 3.13Å
63A84.3Confident84.2Confident81 Ų81116.7 Ų116.767%0.66962%0.622SS**Hα-helixtrans-69.6-20.1177.500000112.9I59 D60 L65I59-A63 VanDerWaalsContact O-CB 3.28Å; I59-A63 WeakPolarHBondContact O-CB 3.31Å; I59-A63 PolarHBondContact O-N 3.5Å; D60-A63 PolarHBondContact O-N 2.89Å; A63-L65 VanDerWaalsContact C-N 3.3Å
64S85.9Confident85.5Confident83 Ų83113.4 Ų113.458%0.5860%0.596SS**THydrogen-bonded Turntrans-77.3-13172.780.80000114.1D60 E61 M62 L66D60-S64 PolarHBondContact O-N 2.92Å; E61-S64 PolarHBondContact O-N 2.86Å; E61-S64 PolarHBondContact O-OG 3.01Å; M62-S64 PolarHBondContact O-N 3.49Å; S64-L66 PolarHBondContact O-N 3.2Å
65L87.6Confident86.7Confident101 Ų101109.3 Ų109.353%0.52958%0.581SS.*  trans-69.8111.6177.4-64.4177.1000110.2W57 M62 A63W57-L65 HydrophobicContact CE3-CD1 4.4Å; W57-L65 HydrophobicContact CH2-CD1 4.32Å; W57-L65 HydrophobicContact CH2-CD2 3.91Å; W57-L65 HydrophobicContact CZ3-CD1 4.03Å; W57-L65 HydrophobicContact CZ3-CD2 3.74Å; W57-L65 HydrophobicContact CZ3-CG 4.05Å; M62-L65 WeakPolarHBondContact O-CB 3.36Å; M62-L65 PolarHBondContact O-N 3.13Å; A63-L65 VanDerWaalsContact C-N 3.3Å
66L86.6Confident87.8Confident152 Ų152107.7 Ų107.780%0.79658%0.576SS**PPolyproline II helixtrans-63.5144.4171.6-62.6177.4000110.1S64 V68S64-L66 PolarHBondContact O-N 3.2Å; L66-V68 PolarHBondContact O-N 2.93Å
67P86.8Confident88.4Confident123 Ų123108.8 Ų108.880%0.79957%0.572SS**PPolyproline II helixtrans-51.2131.6169.5-25.934.5000110.4H69P67-H69 PolarHBondContact O-N 3.04Å; P67-H69 VanDerWaalsContact O-N 3.11Å
68V86.1Confident88.6Confident127 Ų127107.7 Ų107.777%0.7757%0.573SS**PPolyproline II helixtrans-58120.3177.8177.20000108.3L66 I70L66-V68 PolarHBondContact O-N 2.93Å; V68-I70 HydrophobicContact CG1-CG1 4.2Å; V68-I70 PolarHBondContact O-N 3.31Å
69H87.6Confident88.6Confident167 Ų167109 Ų10977%0.77358%0.582SS**  trans-72.199.4173.6-177.667.3000108.8P67P67-H69 PolarHBondContact O-N 3.04Å; P67-H69 VanDerWaalsContact O-N 3.11Å
70I88.2Confident88.6Confident112 Ų112108 Ų10857%0.57457%0.572SS**  trans-87.6113.6173-51176.6000107.3V68 I75V68-I70 HydrophobicContact CG1-CG1 4.2Å; V68-I70 PolarHBondContact O-N 3.31Å; I70-I75 HydrophobicContact CG2-CD1 3.69Å; I70-I75 HydrophobicContact CG2-CG1 3.64Å
71D91Very high88.6Confident59 Ų59109 Ų10932%0.31657%0.567SS.*  trans-65.2122175.1174.310.1000110.1E73 E74 I75D71-E73 PolarHBondContact O-N 2.82Å; D71-E73 WeakPolarHBondContact OD1-CB 3.41Å; D71-E73 PolarHBondContact OD1-N 2.9Å; D71-E74 HydrophobicContact CB-CB 4.1Å; D71-E74 WeakPolarHBondContact O-CB 3.26Å; D71-E74 PolarHBondContact O-N 3.43Å; D71-E74 VanDerWaalsContact O-N 3.09Å; D71-I75 PolarHBondContact O-N 3.4Å; D71-I75 VanDerWaalsContact O-N 3.17Å
72P88.6Confident88.4Confident78 Ų78109.9 Ų109.951%0.50658%0.575SS.*Hα-helixtrans-61.1-26.7176.526.6-35.4000113I75 Q76P72-I75 PolarHBondContact O-N 2.81Å; P72-Q76 WeakPolarHBondContact O-CG 3.29Å; P72-Q76 PolarHBondContact O-N 2.89Å
73E91.8Very high87.9Confident133 Ų133108.6 Ų108.662%0.62158%0.577SS**Hα-helixtrans-71.9-31.4175.4-60.3-172.6-171.600111.9D71 Q76 R77D71-E73 PolarHBondContact O-N 2.82Å; D71-E73 WeakPolarHBondContact OD1-CB 3.41Å; D71-E73 PolarHBondContact OD1-N 2.9Å; E73-Q76 PolarHBondContact O-N 3.26Å; E73-R77 WeakPolarHBondContact O-CB 3.49Å; E73-R77 PolarHBondContact O-N 3.32Å
74E91.3Very high87.3Confident65 Ų65111.4 Ų111.430%0.30458%0.576SS.*Hα-helixtrans-68.1-42.4170-175.969.7-91.600110.9D71 Q76 R77 Q78D71-E74 HydrophobicContact CB-CB 4.1Å; D71-E74 WeakPolarHBondContact O-CB 3.26Å; D71-E74 PolarHBondContact O-N 3.43Å; D71-E74 VanDerWaalsContact O-N 3.09Å; E74-Q76 VanDerWaalsContact C-N 3.3Å; E74-Q76 PolarHBondContact O-N 3.34Å; E74-R77 PolarHBondContact O-N 2.92Å; E74-R77 IonicContact OE1-CZ 3.99Å; E74-R77 IonicContact OE1-NE 3.27Å; E74-R77 PolarHBondContact OE1-NE 3.21Å; E74-R77 IonicContact OE1-NH2 2.81Å; E74-R77 PolarHBondContact OE1-NH2 3.38Å; E74-R77 IonicContact OE2-CZ 2.7Å; E74-R77 IonicContact OE2-NE 3.38Å; E74-R77 IonicContact OE2-NH2 2.72Å; E74-R77 PolarHBondContact OE2-NH2 2.9Å; E74-Q78 HydrophobicContact CG-CG 4.29Å; E74-Q78 WeakPolarHBondContact O-CB 3.48Å; E74-Q78 VanDerWaalsContact O-CG 3.28Å; E74-Q78 WeakPolarHBondContact O-CG 3.12Å; E74-Q78 PolarHBondContact O-N 2.95Å
75I90.8Very high86.6Confident91 Ų91110.6 Ų110.647%0.46757%0.567SS.*Hα-helixtrans-59-45.4174.7-57.7174.1000110.1I70 D71 P72 Q78 S79I70-I75 HydrophobicContact CG2-CD1 3.69Å; I70-I75 HydrophobicContact CG2-CG1 3.64Å; D71-I75 PolarHBondContact O-N 3.4Å; D71-I75 VanDerWaalsContact O-N 3.17Å; P72-I75 PolarHBondContact O-N 2.81Å; I75-Q78 PolarHBondContact O-N 3.1Å; I75-S79 WeakPolarHBondContact O-CB 3.19Å; I75-S79 PolarHBondContact O-N 3.4Å; I75-S79 PolarHBondContact O-OG 3.22Å
76Q92.6Very high85.5Confident131 Ų131116 Ų11661%0.61258%0.581SS**Hα-helixtrans-62.8-46.5176.7-73.3178.513.200111.6P72 E73 E74 Q78 S79 F80P72-Q76 WeakPolarHBondContact O-CG 3.29Å; P72-Q76 PolarHBondContact O-N 2.89Å; E73-Q76 PolarHBondContact O-N 3.26Å; E74-Q76 VanDerWaalsContact C-N 3.3Å; E74-Q76 PolarHBondContact O-N 3.34Å; Q76-Q78 PolarHBondContact O-N 3.06Å; Q76-S79 PolarHBondContact O-N 3.21Å; Q76-S79 PolarHBondContact O-OG 3.15Å; Q76-F80 WeakPolarHBondContact O-CB 3.27Å; Q76-F80 PolarHBondContact O-N 3.19Å
77R92.2Very high84.3Confident128 Ų128114.8 Ų114.848%0.48357%0.573SS.*Hα-helixtrans-60.1-43.2176.7174.6168.857.3-121.412.8112.4E73 E74 Y81E73-R77 WeakPolarHBondContact O-CB 3.49Å; E73-R77 PolarHBondContact O-N 3.32Å; E74-R77 PolarHBondContact O-N 2.92Å; E74-R77 IonicContact OE1-CZ 3.99Å; E74-R77 IonicContact OE1-NE 3.27Å; E74-R77 PolarHBondContact OE1-NE 3.21Å; E74-R77 IonicContact OE1-NH2 2.81Å; E74-R77 PolarHBondContact OE1-NH2 3.38Å; E74-R77 IonicContact OE2-CZ 2.7Å; E74-R77 IonicContact OE2-NE 3.38Å; E74-R77 IonicContact OE2-NH2 2.72Å; E74-R77 PolarHBondContact OE2-NH2 2.9Å; R77-Y81 VanDerWaalsContact O-CB 3.29Å; R77-Y81 WeakPolarHBondContact O-CB 3.17Å; R77-Y81 PolarHBondContact O-N 3.19Å
78Q90.6Very high83.8Confident107 Ų107113.3 Ų113.350%0.556%0.558SS.*Hα-helixtrans-66-43175.3-72.8178.91.300111.7E74 I75 Q76 Y81 L82E74-Q78 HydrophobicContact CG-CG 4.29Å; E74-Q78 WeakPolarHBondContact O-CB 3.48Å; E74-Q78 VanDerWaalsContact O-CG 3.28Å; E74-Q78 WeakPolarHBondContact O-CG 3.12Å; E74-Q78 PolarHBondContact O-N 2.95Å; I75-Q78 PolarHBondContact O-N 3.1Å; Q76-Q78 PolarHBondContact O-N 3.06Å; Q78-Y81 PolarHBondContact O-N 3.12Å; Q78-L82 WeakPolarHBondContact O-CB 3.28Å; Q78-L82 VanDerWaalsContact O-CG 3.27Å; Q78-L82 WeakPolarHBondContact O-CG 3.18Å; Q78-L82 PolarHBondContact O-N 3.3Å
79S86.8Confident83.8Confident67 Ų67110.8 Ų110.847%0.46955%0.546SS..Hα-helixtrans-64.1-41.2176.874.80000112.1I75 Q76 L82 S83I75-S79 WeakPolarHBondContact O-CB 3.19Å; I75-S79 PolarHBondContact O-N 3.4Å; I75-S79 PolarHBondContact O-OG 3.22Å; Q76-S79 PolarHBondContact O-N 3.21Å; Q76-S79 PolarHBondContact O-OG 3.15Å; S79-L82 PolarHBondContact O-N 3.34Å; S79-S83 WeakPolarHBondContact O-CB 3.42Å; S79-S83 PolarHBondContact O-N 2.75Å; S79-S83 PolarHBondContact O-OG 3.33Å
80F87.7Confident83.9Confident124 Ų124108.1 Ų108.154%0.54454%0.538SS..Hα-helixtrans-62.6-48.7173.8179.6-94.4000110.5Q76 L82 S83 Q84Q76-F80 WeakPolarHBondContact O-CB 3.27Å; Q76-F80 PolarHBondContact O-N 3.19Å; F80-L82 PolarHBondContact O-N 2.84Å; F80-S83 WeakPolarHBondContact CA-OG 3.34Å; F80-S83 PolarHBondContact O-N 3.31Å; F80-S83 PolarHBondContact O-OG 2.72Å; F80-Q84 WeakPolarHBondContact O-CB 3.42Å; F80-Q84 PolarHBondContact O-N 2.81Å
81Y87.7Confident84Confident149 Ų149107.7 Ų107.758%0.58454%0.535SS*.Hα-helixtrans-59.4-44.5177.9-177.3-101.6000111.9R77 Q78 Q84 T85R77-Y81 VanDerWaalsContact O-CB 3.29Å; R77-Y81 WeakPolarHBondContact O-CB 3.17Å; R77-Y81 PolarHBondContact O-N 3.19Å; Q78-Y81 PolarHBondContact O-N 3.12Å; Y81-Q84 PolarHBondContact O-N 3.45Å; Y81-T85 HydrophobicContact CE1-CG2 4.42Å; Y81-T85 WeakPolarHBondContact CE1-OG1 3.42Å; Y81-T85 WeakPolarHBondContact O-CB 3.43Å; Y81-T85 PolarHBondContact O-N 2.95Å; Y81-T85 PolarHBondContact O-OG1 3.34Å
82L83.9Confident84Confident115 Ų115109.1 Ų109.160%0.60254%0.54SS*.Hα-helixtrans-65-44.5176.9-71.5169.8000111.8Q78 S79 F80 Q84 T85 R86Q78-L82 WeakPolarHBondContact O-CB 3.28Å; Q78-L82 VanDerWaalsContact O-CG 3.27Å; Q78-L82 WeakPolarHBondContact O-CG 3.18Å; Q78-L82 PolarHBondContact O-N 3.3Å; S79-L82 PolarHBondContact O-N 3.34Å; F80-L82 PolarHBondContact O-N 2.84Å; L82-Q84 PolarHBondContact O-N 2.61Å; L82-T85 PolarHBondContact O-N 3.37Å; L82-T85 VanDerWaalsContact O-N 3.14Å; L82-R86 PolarHBondContact O-N 2.96Å
83S77.6Confident84.2Confident87 Ų87111.8 Ų111.861%0.60855%0.546SS*.Hα-helixtrans-61-31.8176.674.50000113S79 F80S79-S83 WeakPolarHBondContact O-CB 3.42Å; S79-S83 PolarHBondContact O-N 2.75Å; S79-S83 PolarHBondContact O-OG 3.33Å; F80-S83 WeakPolarHBondContact CA-OG 3.34Å; F80-S83 PolarHBondContact O-N 3.31Å; F80-S83 PolarHBondContact O-OG 2.72Å
84Q72.3Confident84.4Confident141 Ų141113 Ų11366%0.65955%0.549SS*.Hα-helixtrans-86.2-25.4176.6-174.116590.400112.9F80 Y81 L82F80-Q84 WeakPolarHBondContact O-CB 3.42Å; F80-Q84 PolarHBondContact O-N 2.81Å; Y81-Q84 PolarHBondContact O-N 3.45Å; L82-Q84 PolarHBondContact O-N 2.61Å
85T71.4Confident84.5Confident65 Ų65112.8 Ų112.840%0.39955%0.554SS.*Hα-helixtrans-86.5-27.8-175.7-610000112.5Y81 L82Y81-T85 HydrophobicContact CE1-CG2 4.42Å; Y81-T85 WeakPolarHBondContact CE1-OG1 3.42Å; Y81-T85 WeakPolarHBondContact O-CB 3.43Å; Y81-T85 PolarHBondContact O-N 2.95Å; Y81-T85 PolarHBondContact O-OG1 3.34Å; L82-T85 PolarHBondContact O-N 3.37Å; L82-T85 VanDerWaalsContact O-N 3.14Å
86R64.1Low84.7Confident214 Ų214112.4 Ų112.481%0.80855%0.55SS**SBendtrans-147102.7178.5-66.4-168.1-179.8-159.8-1.2113.5L82L82-R86 PolarHBondContact O-N 2.96Å
87M62.5Low84.7Confident128 Ų128109.5 Ų109.563%0.63154%0.539SS*.  -157.9118.4113.6-154.3147.771.100108.9S89 E92M87-S89 PolarHBondContact O-N 2.88Å; M87-E92 HydrophobicContact CE-CB 4.18Å; M87-E92 HydrophobicContact CE-CG 3.93Å; M87-E92 HydrophobicContact CG-CB 3.62Å; M87-E92 HydrophobicContact CG-CG 4.2Å; M87-E92 HydrophobicContact SD-CB 3.62Å; M87-E92 HydrophobicContact SD-CG 3.47Å; M87-E92 WeakPolarHBondContact SD-CG 3.3Å
88D75.9Confident84.8Confident92 Ų92106.1 Ų106.149%0.49254%0.538SS..  trans-74.3110.2160.4-175.3-19.4000105.4D90 I91 E92D88-D90 PolarHBondContact O-N 2.79Å; D88-D90 VanDerWaalsContact O-N 3.15Å; D88-D90 PolarHBondContact OD1-N 3.5Å; D88-I91 HydrophobicContact CB-CB 4.15Å; D88-I91 HydrophobicContact CB-CD1 3.82Å; D88-I91 HydrophobicContact CB-CG1 3.88Å; D88-I91 PolarHBondContact O-N 3.26Å; D88-I91 VanDerWaalsContact O-N 3.07Å; D88-E92 PolarHBondContact O-N 2.94Å; D88-E92 VanDerWaalsContact O-N 3.13Å
89S85.4Confident84.9Confident74 Ų74105 Ų10552%0.51754%0.535SS..Hα-helixtrans-55.7-35.4-171.646.70000111.7M87 I91 E92 E93M87-S89 PolarHBondContact O-N 2.88Å; S89-I91 VanDerWaalsContact C-N 3.32Å; S89-I91 PolarHBondContact O-N 3.4Å; S89-E92 PolarHBondContact O-N 2.99Å; S89-E93 VanDerWaalsContact O-CB 3.29Å; S89-E93 WeakPolarHBondContact O-CB 3.28Å; S89-E93 PolarHBondContact O-N 2.67Å
90D89.9Confident85.1Confident111 Ų111106.3 Ų106.359%0.59453%0.534SS*.Hα-helixtrans-75.2-28.3-173.7-56.29.7000110.5D88 K94D88-D90 PolarHBondContact O-N 2.79Å; D88-D90 VanDerWaalsContact O-N 3.15Å; D88-D90 PolarHBondContact OD1-N 3.5Å; D90-K94 WeakPolarHBondContact O-CB 3.23Å; D90-K94 PolarHBondContact O-N 3.18Å
91I90.1Very high85.3Confident102 Ų102104.4 Ų104.452%0.52353%0.526SS..Hα-helixtrans-75.1-45.2173.1-60.8-177.6000110.2D88 S89 K94 C95D88-I91 HydrophobicContact CB-CB 4.15Å; D88-I91 HydrophobicContact CB-CD1 3.82Å; D88-I91 HydrophobicContact CB-CG1 3.88Å; D88-I91 PolarHBondContact O-N 3.26Å; D88-I91 VanDerWaalsContact O-N 3.07Å; S89-I91 VanDerWaalsContact C-N 3.32Å; S89-I91 PolarHBondContact O-N 3.4Å; I91-K94 PolarHBondContact O-N 3.17Å; I91-C95 PolarHBondContact O-N 3.31Å; I91-C95 PolarHBondContact O-SG 3.39Å
92E91.1Very high85.2Confident89 Ų89104.2 Ų104.242%0.41653%0.529SS..Hα-helixtrans-66.2-44.9177.7-176.569.5-179.400111.5M87 D88 S89 K94 C95 Q96M87-E92 HydrophobicContact CE-CB 4.18Å; M87-E92 HydrophobicContact CE-CG 3.93Å; M87-E92 HydrophobicContact CG-CB 3.62Å; M87-E92 HydrophobicContact CG-CG 4.2Å; M87-E92 HydrophobicContact SD-CB 3.62Å; M87-E92 HydrophobicContact SD-CG 3.47Å; M87-E92 WeakPolarHBondContact SD-CG 3.3Å; D88-E92 PolarHBondContact O-N 2.94Å; D88-E92 VanDerWaalsContact O-N 3.13Å; S89-E92 PolarHBondContact O-N 2.99Å; E92-K94 PolarHBondContact O-N 3.4Å; E92-C95 CarbonylContact O-C 3.59Å; E92-C95 WeakPolarHBondContact O-CA 3.24Å; E92-C95 WeakPolarHBondContact O-CB 3.3Å; E92-C95 PolarHBondContact O-N 3.03Å; E92-Q96 WeakPolarHBondContact O-CB 3.36Å; E92-Q96 PolarHBondContact O-N 3.02Å
93E93.5Very high85.3Confident134 Ų134104.2 Ų104.263%0.62652%0.524SS*.Hα-helixtrans-57.2-42.2175.2-175.6-178.4175.600110.4S89 Q96 N97S89-E93 VanDerWaalsContact O-CB 3.29Å; S89-E93 WeakPolarHBondContact O-CB 3.28Å; S89-E93 PolarHBondContact O-N 2.67Å; E93-Q96 PolarHBondContact O-N 2.92Å; E93-N97 WeakPolarHBondContact O-CB 3.19Å; E93-N97 PolarHBondContact O-N 3.46Å
94K94.7Very high85.7Confident158 Ų158105.7 Ų105.769%0.68753%0.53SS*.Hα-helixtrans-65.9-37.6175.5-175.4177.6-179.7-179.10112.9D90 I91 E92 A98D90-K94 WeakPolarHBondContact O-CB 3.23Å; D90-K94 PolarHBondContact O-N 3.18Å; I91-K94 PolarHBondContact O-N 3.17Å; E92-K94 PolarHBondContact O-N 3.4Å; K94-A98 VanDerWaalsContact O-CB 3.28Å; K94-A98 WeakPolarHBondContact O-CB 3.44Å; K94-A98 PolarHBondContact O-N 3.38Å
95C93.1Very high85.8Confident61 Ų61106.3 Ų106.341%0.41253%0.53SS..Hα-helixtrans-64.9-49.2173.8-79.40000111.3I91 E92 N97 A98 I99I91-C95 PolarHBondContact O-N 3.31Å; I91-C95 PolarHBondContact O-SG 3.39Å; E92-C95 CarbonylContact O-C 3.59Å; E92-C95 WeakPolarHBondContact O-CA 3.24Å; E92-C95 WeakPolarHBondContact O-CB 3.3Å; E92-C95 PolarHBondContact O-N 3.03Å; C95-N97 PolarHBondContact O-N 3.39Å; C95-A98 PolarHBondContact O-N 2.86Å; C95-I99 VanDerWaalsContact O-CG1 3.3Å; C95-I99 WeakPolarHBondContact O-CG1 3.39Å; C95-I99 PolarHBondContact O-N 3.32Å
96Q95.4Very high85.4Confident84 Ų84105 Ų10539%0.39353%0.53SS..Hα-helixtrans-61.3-43.8176.8-178.95629.300111.6E92 E93 A98 I99 E100E92-Q96 WeakPolarHBondContact O-CB 3.36Å; E92-Q96 PolarHBondContact O-N 3.02Å; E93-Q96 PolarHBondContact O-N 2.92Å; Q96-A98 VanDerWaalsContact C-N 3.35Å; Q96-A98 PolarHBondContact O-N 3.3Å; Q96-I99 WeakPolarHBondContact O-CB 3.5Å; Q96-I99 PolarHBondContact O-N 3.32Å; Q96-E100 WeakPolarHBondContact CG-OE1 3.48Å; Q96-E100 PolarHBondContact NE2-OE1 3.5Å; Q96-E100 WeakPolarHBondContact O-CG 3.43Å; Q96-E100 PolarHBondContact O-N 3.25Å
97N94.1Very high85.4Confident69 Ų6999.6 Ų99.637%0.36953%0.531SS..Hα-helixtrans-64.4-37.7175.4-165.1-80.4000111.9E93 C95 E100 Q101E93-N97 WeakPolarHBondContact O-CB 3.19Å; E93-N97 PolarHBondContact O-N 3.46Å; C95-N97 PolarHBondContact O-N 3.39Å; N97-E100 PolarHBondContact O-N 3.33Å; N97-Q101 VanDerWaalsContact O-CB 3.3Å; N97-Q101 WeakPolarHBondContact O-CB 3.5Å; N97-Q101 VanDerWaalsContact O-CG 3.24Å; N97-Q101 WeakPolarHBondContact O-CG 3.13Å; N97-Q101 PolarHBondContact O-N 3.29Å; N97-Q101 PolarHBondContact OD1-NE2 2.86Å
98A93.2Very high85.6Confident57 Ų5798.8 Ų98.847%0.47153%0.528SS..Hα-helixtrans-66-38.617400000112.3K94 C95 Q96 F102K94-A98 VanDerWaalsContact O-CB 3.28Å; K94-A98 WeakPolarHBondContact O-CB 3.44Å; K94-A98 PolarHBondContact O-N 3.38Å; C95-A98 PolarHBondContact O-N 2.86Å; Q96-A98 VanDerWaalsContact C-N 3.35Å; Q96-A98 PolarHBondContact O-N 3.3Å; A98-F102 WeakPolarHBondContact O-CB 3.34Å; A98-F102 PolarHBondContact O-N 3.45Å
99I92.1Very high84.7Confident83 Ų83100.4 Ų100.443%0.42654%0.541SS..Hα-helixtrans-62.4-50.3173-70.3164.4000110.2C95 Q96 Q101 F102 F103C95-I99 VanDerWaalsContact O-CG1 3.3Å; C95-I99 WeakPolarHBondContact O-CG1 3.39Å; C95-I99 PolarHBondContact O-N 3.32Å; Q96-I99 WeakPolarHBondContact O-CB 3.5Å; Q96-I99 PolarHBondContact O-N 3.32Å; I99-Q101 PolarHBondContact O-N 3.32Å; I99-F102 WeakPolarHBondContact O-CB 3.41Å; I99-F102 PolarHBondContact O-N 3.47Å; I99-F102 VanDerWaalsContact O-N 3.15Å; I99-F103 HydrophobicContact CG2-CD2 3.82Å; I99-F103 HydrophobicContact CG2-CE2 3.84Å; I99-F103 VanDerWaalsContact O-CD2 3.27Å; I99-F103 WeakPolarHBondContact O-CD2 3.46Å; I99-F103 PolarHBondContact O-N 3.15Å
100E91.9Very high83.6Confident95 Ų95101.2 Ų101.244%0.44454%0.544SS..Hα-helixtrans-61.2-43.8177.6-74.1171-165.900112.1Q96 N97 F102 F103 T104Q96-E100 WeakPolarHBondContact CG-OE1 3.48Å; Q96-E100 PolarHBondContact NE2-OE1 3.5Å; Q96-E100 WeakPolarHBondContact O-CG 3.43Å; Q96-E100 PolarHBondContact O-N 3.25Å; N97-E100 PolarHBondContact O-N 3.33Å; E100-F102 VanDerWaalsContact C-N 3.3Å; E100-F102 PolarHBondContact O-N 3.47Å; E100-F103 PolarHBondContact O-N 3.47Å; E100-T104 WeakPolarHBondContact O-CB 3.15Å; E100-T104 PolarHBondContact O-N 2.69Å; E100-T104 PolarHBondContact O-OG1 2.96Å
101Q90.8Very high82.2Confident84 Ų8499.2 Ų99.239%0.39354%0.539SS..Hα-helixtrans-60.8-39.2174.2-77.2-17044.400112N97 I99 K105N97-Q101 VanDerWaalsContact O-CB 3.3Å; N97-Q101 WeakPolarHBondContact O-CB 3.5Å; N97-Q101 VanDerWaalsContact O-CG 3.24Å; N97-Q101 WeakPolarHBondContact O-CG 3.13Å; N97-Q101 PolarHBondContact O-N 3.29Å; N97-Q101 PolarHBondContact OD1-NE2 2.86Å; I99-Q101 PolarHBondContact O-N 3.32Å; Q101-K105 HydrophobicContact CB-CD 4.27Å; Q101-K105 WeakPolarHBondContact O-CB 3.47Å; Q101-K105 VanDerWaalsContact O-CG 3.23Å; Q101-K105 WeakPolarHBondContact O-CG 3.28Å; Q101-K105 PolarHBondContact O-N 2.83Å
102F86.8Confident80.8Confident146 Ų146100.3 Ų100.364%0.6455%0.553SS**Hα-helixtrans-62.6-51.9176.5177.8-96.6000111.4A98 I99 E100 T104 G106A98-F102 WeakPolarHBondContact O-CB 3.34Å; A98-F102 PolarHBondContact O-N 3.45Å; I99-F102 WeakPolarHBondContact O-CB 3.41Å; I99-F102 PolarHBondContact O-N 3.47Å; I99-F102 VanDerWaalsContact O-N 3.15Å; E100-F102 VanDerWaalsContact C-N 3.3Å; E100-F102 PolarHBondContact O-N 3.47Å; F102-T104 VanDerWaalsContact C-N 3.3Å; F102-T104 PolarHBondContact O-N 3.42Å; F102-G106 PolarHBondContact O-N 2.94Å
103F85.4Confident79.1Confident114 Ų114107.5 Ų107.550%0.558%0.576SS.*Hα-helixtrans-70.5-22.3179.9-73.3-68.2000114.1I99 E100 I108I99-F103 HydrophobicContact CG2-CD2 3.82Å; I99-F103 HydrophobicContact CG2-CE2 3.84Å; I99-F103 VanDerWaalsContact O-CD2 3.27Å; I99-F103 WeakPolarHBondContact O-CD2 3.46Å; I99-F103 PolarHBondContact O-N 3.15Å; E100-F103 PolarHBondContact O-N 3.47Å; F103-I108 HydrophobicContact CD1-CD1 4.07Å; F103-I108 HydrophobicContact CD1-CG1 4.28Å
104T85.4Confident77.6Confident118 Ų118103.4 Ų103.472%0.72457%0.565SS**Hα-helixtrans-88.4-32.3177.8-53.80000113.1E100 F102E100-T104 WeakPolarHBondContact O-CB 3.15Å; E100-T104 PolarHBondContact O-N 2.69Å; E100-T104 PolarHBondContact O-OG1 2.96Å; F102-T104 VanDerWaalsContact C-N 3.3Å; F102-T104 PolarHBondContact O-N 3.42Å
105K74.8Confident76Confident154 Ų15499.7 Ų99.767%0.6756%0.564SS**Hα-helixtrans-99.5-23.6-174.1-62.2174.3179.7-179.80113.8Q101Q101-K105 HydrophobicContact CB-CD 4.27Å; Q101-K105 WeakPolarHBondContact O-CB 3.47Å; Q101-K105 VanDerWaalsContact O-CG 3.23Å; Q101-K105 WeakPolarHBondContact O-CG 3.28Å; Q101-K105 PolarHBondContact O-N 2.83Å
106G63.9Low74.3Confident38 Ų38102.6 Ų102.639%0.39258%0.582SS.*SBendtrans-79.3137.4171.800000110.8F102 I108F102-G106 PolarHBondContact O-N 2.94Å; G106-I108 PolarHBondContact O-N 2.6Å
107A64.1Low72.2Confident100 Ų100104.6 Ų104.683%0.82659%0.591SS**  trans-60.799.8151.100000106.1V109A107-V109 PolarHBondContact O-N 2.76Å
108I66.1Low70.3Confident112 Ų112107.7 Ų107.757%0.57461%0.613SS**  trans-54.1112.1173-58.2174.5000104.7F103 G106 P110F103-I108 HydrophobicContact CD1-CD1 4.07Å; F103-I108 HydrophobicContact CD1-CG1 4.28Å; G106-I108 PolarHBondContact O-N 2.6Å; I108-P110 VanDerWaalsContact O-CD 3.29Å; I108-P110 WeakPolarHBondContact O-CD 3.35Å
109V56.7Low68.2Low125 Ų125114.3 Ų114.376%0.75863%0.626SS**  trans-54.4114.6175.5175.90000104.7A107 S111A107-V109 PolarHBondContact O-N 2.76Å; V109-S111 PolarHBondContact O-N 2.64Å
110P63Low65.9Low92 Ų92121.8 Ų121.860%0.59765%0.649SS**  trans-56136.6-176.422.1-31.8000106.8I108 A114I108-P110 VanDerWaalsContact O-CD 3.29Å; I108-P110 WeakPolarHBondContact O-CD 3.35Å; P110-A114 HydrophobicContact CB-CB 4.24Å
111S59.9Low63.2Low69 Ų69121.8 Ų121.848%0.48367%0.665SS.*  trans-44.3137.9178.1175.70000108.6V109 W113 A114V109-S111 PolarHBondContact O-N 2.64Å; S111-W113 PolarHBondContact O-N 2.94Å; S111-W113 PolarHBondContact OG-N 3.19Å; S111-A114 VanDerWaalsContact O-CB 3.31Å; S111-A114 WeakPolarHBondContact O-CB 3.36Å; S111-A114 PolarHBondContact O-N 3.43Å
112P61.5Low60.9Low124 Ų124123.5 Ų123.581%0.80568%0.681SS**THydrogen-bonded Turntrans-55.7-12.7177.8-27.135.5000114.1
113W55.1Low58.6Low241 Ų241125.8 Ų125.891%0.91369%0.693SS**THydrogen-bonded Turntrans-106.5-2.2177.4-55.898.2000114.3S111 A115S111-W113 PolarHBondContact O-N 2.94Å; S111-W113 PolarHBondContact OG-N 3.19Å; W113-A115 PolarHBondContact O-N 3.45Å
114A61.2Low56.6Low48 Ų48126.9 Ų126.940%0.39770%0.704SS.*SBendtrans-68.9124.7171.200000108.7P110 S111P110-A114 HydrophobicContact CB-CB 4.24Å; S111-A114 VanDerWaalsContact O-CB 3.31Å; S111-A114 WeakPolarHBondContact O-CB 3.36Å; S111-A114 PolarHBondContact O-N 3.43Å
115A61Low54Low79 Ų79131.4 Ų131.465%0.65371%0.709SS**  trans-52.9142.4167.100000109.2W113 E117W113-A115 PolarHBondContact O-N 3.45Å; A115-E117 PolarHBondContact O-N 3.44Å
116P57.4Low51.9Low123 Ų123133.6 Ų133.680%0.79972%0.719SS**  trans-59.9103.5-174.422.9-33.4000110.5T118P116-T118 PolarHBondContact O-N 3.11Å
117E51Low50.7Low125 Ų125142 Ų14258%0.58475%0.745SS**  trans-63.7108-180-83.7-156.5124.400109.8A115 R119A115-E117 PolarHBondContact O-N 3.44Å; E117-R119 HydrophobicContact CB-CG 4.23Å; E117-R119 PolarHBondContact O-N 3.01Å; E117-R119 IonicContact OE1-CZ 3.28Å; E117-R119 IonicContact OE1-NE 2.9Å; E117-R119 PolarHBondContact OE1-NE 3.29Å; E117-R119 IonicContact OE1-NH2 3.4Å; E117-R119 PolarHBondContact OE1-NH2 3.27Å; E117-R119 WeakPolarHBondContact OE2-CD 3.27Å; E117-R119 IonicContact OE2-CZ 3.58Å; E117-R119 VanDerWaalsContact OE2-CZ 3.28Å; E117-R119 IonicContact OE2-NE 3.68Å; E117-R119 PolarHBondContact OE2-NE 2.79Å; E117-R119 IonicContact OE2-NH2 2.83Å; E117-R119 PolarHBondContact OE2-NH2 3.45Å
118T54.4Low49.2Very low135 Ų135142.6 Ų142.683%0.82874%0.742SS**  trans-74.155.4168.657.90000110.9P116 R120P116-T118 PolarHBondContact O-N 3.11Å; T118-R120 VanDerWaalsContact C-N 3.27Å; T118-R120 PolarHBondContact O-N 2.79Å
119R49.7Very low48.3Very low195 Ų195141.9 Ų141.974%0.73675%0.745SS**  trans-73.383.2173.2-80.1-172.5-171.8-168.714.1110.1E117 A121E117-R119 HydrophobicContact CB-CG 4.23Å; E117-R119 PolarHBondContact O-N 3.01Å; E117-R119 IonicContact OE1-CZ 3.28Å; E117-R119 IonicContact OE1-NE 2.9Å; E117-R119 PolarHBondContact OE1-NE 3.29Å; E117-R119 IonicContact OE1-NH2 3.4Å; E117-R119 PolarHBondContact OE1-NH2 3.27Å; E117-R119 WeakPolarHBondContact OE2-CD 3.27Å; E117-R119 IonicContact OE2-CZ 3.58Å; E117-R119 VanDerWaalsContact OE2-CZ 3.28Å; E117-R119 IonicContact OE2-NE 3.68Å; E117-R119 PolarHBondContact OE2-NE 2.79Å; E117-R119 IonicContact OE2-NH2 2.83Å; E117-R119 PolarHBondContact OE2-NH2 3.45Å; R119-A121 PolarHBondContact O-N 3.22Å
120R42.8Very low47Very low241 Ų241145.3 Ų145.391%0.90975%0.75SS**  trans-54.9123156.8-70.1-106.1-157.6166.86.6108.3T118 T122T118-R120 VanDerWaalsContact C-N 3.27Å; T118-R120 PolarHBondContact O-N 2.79Å; R120-T122 PolarHBondContact O-N 3.45Å
121A37.1Very low45.6Very low95 Ų95146.5 Ų146.579%0.78576%0.761SS**  trans-64132.4167.200000110.3R119R119-A121 PolarHBondContact O-N 3.22Å
122T42.3Very low44.7Very low120 Ų120151.3 Ų151.374%0.73678%0.776SS**  trans26.9112158.6-42.10000118.8R120R120-T122 PolarHBondContact O-N 3.45Å
123H36.8Very low43.5Very low193 Ų193149.6 Ų149.689%0.89477%0.772SS**  trans-140.6132.5148-133.9-89.1000111.9
124L44.3Very low42.8Very low138 Ų138145 Ų14572%0.72376%0.764SS**  trans-86.7161-175.1-76.6150.1000112.8
125Y30.1Very low41.7Very low212 Ų212147.9 Ų147.983%0.83178%0.781SS**  trans67.3100.6157.2-91.3-76000119.9
126K32.3Very low40.9Very low201 Ų201152.6 Ų152.687%0.87479%0.79SS**  168.9160.6103.1-92.8175.4-178178.20113.4
127K37.9Very low40.2Very low214 Ų214155.4 Ų155.493%0.9379%0.792SS**  trans-69.8138.3-175.7-58.3168.7176.1178.30113.5
128S31.7Very low40.1Very low112 Ų112152.9 Ų152.978%0.78379%0.788SS**  -177.7141.6129.5-170.80000110.8
129P47.3Very low39.8Very low98 Ų98155 Ų15564%0.63679%0.788SS**  trans-87.7176.5175.835-34000113.6
130F30.9Very low40.1Very low196 Ų196154.3 Ų154.386%0.8679%0.791SS**  trans77.296.6175.4-57.7-78.3000118.1
131S33.2Very low40.8Very low117 Ų117149.2 Ų149.282%0.81878%0.78SS**  -152.1105.8118.8-162.40000109.4A133S131-A133 PolarHBondContact O-N 3.45Å
132E40.6Very low41.8Very low171 Ų171150.6 Ų150.680%0.79978%0.784SS**  trans-82.7104.4171.5-177.3172.6-167.200107.5I134E132-I134 HydrophobicContact CG-CG1 4.34Å
133A35.6Very low42.6Very low87 Ų87149.8 Ų149.872%0.71978%0.779SS**  trans-117.395170.200000107.4S131 S135S131-A133 PolarHBondContact O-N 3.45Å; A133-S135 VanDerWaalsContact C-N 3.33Å; A133-S135 PolarHBondContact O-N 3.21Å
134I40.9Very low43.7Very low145 Ų145145.7 Ų145.774%0.74478%0.779SS**  trans-6696.5172.2-60168.2000106.9E132E132-I134 HydrophobicContact CG-CG1 4.34Å
135S39.1Very low44.4Very low108 Ų108143.6 Ų143.676%0.75577%0.774SS**  trans-89.699.3160.3-175.50000106.5A133 E137A133-S135 VanDerWaalsContact C-N 3.33Å; A133-S135 PolarHBondContact O-N 3.21Å; S135-E137 VanDerWaalsContact C-N 3.32Å; S135-E137 PolarHBondContact O-N 3.49Å
136E43.4Very low46.7Very low179 Ų179142.4 Ų142.484%0.83678%0.776SS**  trans-62.591174.4-170.7171.2-151.700108.9S138E136-S138 PolarHBondContact O-N 3.06Å
137E42.7Very low48.8Very low182 Ų182137.7 Ų137.785%0.8577%0.765SS**  trans-74100.9179.1-172.3167.6-156.700108.8S135 E139S135-E137 VanDerWaalsContact C-N 3.32Å; S135-E137 PolarHBondContact O-N 3.49Å; E137-E139 PolarHBondContact O-N 2.94Å
138S48.6Very low50.9Low71 Ų71133.6 Ų133.650%0.49776%0.758SS.*  trans-51.8126.4-179.464.40000111.1E136 K140E136-S138 PolarHBondContact O-N 3.06Å; S138-K140 PolarHBondContact O-N 2.9Å; S138-K140 WeakPolarHBondContact OG-CE 3.39Å
139E47.6Very low53.2Low180 Ų180135.4 Ų135.484%0.84176%0.758SS**  trans-64.693.9174.9-170.3173.1-149.100110.2E137 I141E137-E139 PolarHBondContact O-N 2.94Å; E139-I141 PolarHBondContact O-N 3.31Å
140K56.6Low55Low180 Ų180136 Ų13678%0.78376%0.764SS**  trans-81.483.7-176.8-74.3172.7-171.7169.60110.5S138 S142S138-K140 PolarHBondContact O-N 2.9Å; S138-K140 WeakPolarHBondContact OG-CE 3.39Å; K140-S142 PolarHBondContact O-N 2.79Å
141I57.6Low57.6Low134 Ų134131.3 Ų131.369%0.68775%0.747SS**  trans-56.4110.6166-58.3172.4000108.1E139 V143E139-I141 PolarHBondContact O-N 3.31Å; I141-V143 HydrophobicContact CG2-CG2 3.91Å; I141-V143 PolarHBondContact O-N 2.75Å; I141-V143 VanDerWaalsContact O-N 3.08Å
142S59.4Low60.3Low124 Ų124130 Ų13087%0.86774%0.737SS**  trans-75.797.8177.4-171.70000109.7K140K140-S142 PolarHBondContact O-N 2.79Å
143V58Low62.2Low104 Ų104131.1 Ų131.163%0.6375%0.747SS**  trans-96.9119.9173-173.70000108.5I141 C145I141-V143 HydrophobicContact CG2-CG2 3.91Å; I141-V143 PolarHBondContact O-N 2.75Å; I141-V143 VanDerWaalsContact O-N 3.08Å; V143-C145 PolarHBondContact O-N 3.17Å
144A59.3Low64.5Low107 Ų107131.8 Ų131.888%0.88475%0.752SS**  trans-71.497.2171.600000109.6
145C60Low66.7Low93 Ų93129 Ų12963%0.62874%0.735SS**  trans-101.9124.717751.40000111.2V143 T147V143-C145 PolarHBondContact O-N 3.17Å; C145-T147 PolarHBondContact O-N 3.33Å
146Q77.4Confident68.9Low187 Ų187128.1 Ų128.187%0.87472%0.722SS**  trans-76.2110.9171.4-177.6177.80.700109
147T77.8Confident70.9Confident103 Ų103123.8 Ų123.863%0.63270%0.704SS**  trans-95.9115.7177.546.80000110.9C145 L149C145-T147 PolarHBondContact O-N 3.33Å; T147-L149 PolarHBondContact O-N 3.11Å
148T82.1Confident72.9Confident128 Ų128122.8 Ų122.879%0.78570%0.699SS**  trans-83.4107.7170.9-53.10000109.4
149L80.3Confident74.8Confident150 Ų150127.3 Ų127.379%0.78571%0.71SS**  trans-96.9112.8174.8-60.3179.7000110T147T147-L149 PolarHBondContact O-N 3.11Å
150S84.1Confident76.7Confident111 Ų111123.7 Ų123.778%0.77670%0.696SS**  trans-92.1113.1170.658.20000110.2
151L86.5Confident78Confident96 Ų96118.3 Ų118.350%0.50368%0.675SS.*  trans-76.5145171.8-62.7172.9000110.3F155 L157L151-F155 HydrophobicContact CB-CB 4.2Å; L151-F155 HydrophobicContact CB-CD1 4.27Å; L151-F155 HydrophobicContact CB-CG 4.35Å; L151-F155 HydrophobicContact CD1-CD1 3.89Å; L151-F155 HydrophobicContact CD1-CE1 4.18Å; L151-F155 HydrophobicContact CD2-CD1 4.02Å; L151-F155 HydrophobicContact CD2-CE1 4.05Å; L151-F155 HydrophobicContact CD2-CG 4.37Å; L151-F155 HydrophobicContact CD2-CZ 4.42Å; L151-F155 HydrophobicContact CG-CD1 4.29Å; L151-L157 HydrophobicContact CD1-CD1 3.73Å; L151-L157 HydrophobicContact CD1-CD2 4.01Å; L151-L157 HydrophobicContact CD1-CG 3.97Å
152P88.1Confident79.2Confident91 Ų91113.3 Ų113.359%0.59166%0.657SS**  trans-55.3146172-25.333.4000112.1A154 F155P152-A154 PolarHBondContact O-N 3.03Å; P152-F155 HydrophobicContact CB-CB 4.24Å; P152-F155 HydrophobicContact CG-CB 4.46Å; P152-F155 WeakPolarHBondContact O-CB 3.47Å; P152-F155 PolarHBondContact O-N 3.11Å
153L80.8Confident80.2Confident194 Ų194114.9 Ų114.9100%1.01665%0.65SS**THydrogen-bonded Turntrans-59.5-21.1-176.1-157.380.7000114.2
154A83.7Confident81Confident101 Ų101118.8 Ų118.884%0.83566%0.655SS**THydrogen-bonded Turntrans-106.417.717700000113.1P152 D156P152-A154 PolarHBondContact O-N 3.03Å; A154-D156 PolarHBondContact O-N 3.38Å
155F86.9Confident81.5Confident86 Ų86122.9 Ų122.938%0.37765%0.649SS.*  trans-81.1108.1178.9-173.1-89.8000110.7L151 P152 L157 L160L151-F155 HydrophobicContact CB-CB 4.2Å; L151-F155 HydrophobicContact CB-CD1 4.27Å; L151-F155 HydrophobicContact CB-CG 4.35Å; L151-F155 HydrophobicContact CD1-CD1 3.89Å; L151-F155 HydrophobicContact CD1-CE1 4.18Å; L151-F155 HydrophobicContact CD2-CD1 4.02Å; L151-F155 HydrophobicContact CD2-CE1 4.05Å; L151-F155 HydrophobicContact CD2-CG 4.37Å; L151-F155 HydrophobicContact CD2-CZ 4.42Å; L151-F155 HydrophobicContact CG-CD1 4.29Å; P152-F155 HydrophobicContact CB-CB 4.24Å; P152-F155 HydrophobicContact CG-CB 4.46Å; P152-F155 WeakPolarHBondContact O-CB 3.47Å; P152-F155 PolarHBondContact O-N 3.11Å; F155-L157 HydrophobicContact CD1-CD2 4.37Å; F155-L157 HydrophobicContact CD1-CG 3.97Å; F155-L157 HydrophobicContact CE1-CD2 3.89Å; F155-L157 HydrophobicContact CE1-CG 3.96Å; F155-L157 PolarHBondContact O-N 2.76Å; F155-L157 VanDerWaalsContact O-N 3.17Å; F155-L160 HydrophobicContact CE1-CD2 4.29Å; F155-L160 HydrophobicContact CZ-CD2 3.72Å
156D85.6Confident82Confident89 Ų89128.3 Ų128.348%0.47666%0.656SS.*  trans-81.792.1-178.9-171.3-13.4000111A154 E158 K159 L160A154-D156 PolarHBondContact O-N 3.38Å; D156-E158 VanDerWaalsContact C-N 3.29Å; D156-E158 PolarHBondContact OD1-N 3.34Å; D156-E158 VanDerWaalsContact OD1-N 3.13Å; D156-K159 HydrophobicContact CB-CB 4Å; D156-K159 PolarHBondContact OD1-N 2.95Å; D156-K159 VanDerWaalsContact OD2-CB 3.32Å; D156-K159 WeakPolarHBondContact OD2-CB 3.29Å; D156-L160 PolarHBondContact O-N 3.18Å
157L86.8Confident81Confident88 Ų88129 Ų12946%0.46165%0.652SS.*Hα-helixtrans-61.8-35174-85.3160000112.5L151 F155 L160 L161L151-L157 HydrophobicContact CD1-CD1 3.73Å; L151-L157 HydrophobicContact CD1-CD2 4.01Å; L151-L157 HydrophobicContact CD1-CG 3.97Å; F155-L157 HydrophobicContact CD1-CD2 4.37Å; F155-L157 HydrophobicContact CD1-CG 3.97Å; F155-L157 HydrophobicContact CE1-CD2 3.89Å; F155-L157 HydrophobicContact CE1-CG 3.96Å; F155-L157 PolarHBondContact O-N 2.76Å; F155-L157 VanDerWaalsContact O-N 3.17Å; L157-L160 PolarHBondContact O-N 2.99Å; L157-L161 HydrophobicContact CD2-CD1 3.91Å; L157-L161 WeakPolarHBondContact O-CB 3.2Å; L157-L161 PolarHBondContact O-N 3.24Å
158E84.8Confident79.9Confident161 Ų161132.2 Ų132.275%0.75266%0.66SS**Hα-helixtrans-70.2-40.1-177-172.8176.6171.500110.5D156 L160 G162D156-E158 VanDerWaalsContact C-N 3.29Å; D156-E158 PolarHBondContact OD1-N 3.34Å; D156-E158 VanDerWaalsContact OD1-N 3.13Å; E158-L160 VanDerWaalsContact C-N 3.29Å; E158-L160 PolarHBondContact O-N 3.15Å; E158-G162 WeakPolarHBondContact O-CA 3.4Å; E158-G162 PolarHBondContact O-N 2.78Å
159K86.9Confident78.3Confident167 Ų167134 Ų13473%0.72666%0.659SS**Hα-helixtrans-64.1-30.6172.6-178.1176.8178.8-177.70113.8D156D156-K159 HydrophobicContact CB-CB 4Å; D156-K159 PolarHBondContact OD1-N 2.95Å; D156-K159 VanDerWaalsContact OD2-CB 3.32Å; D156-K159 WeakPolarHBondContact OD2-CB 3.29Å
160L87.1Confident76.9Confident103 Ų103130.5 Ų130.554%0.53965%0.653SS.*Hα-helixtrans-86.1-39.8-179.5-177.463.7000113F155 D156 L157 E158F155-L160 HydrophobicContact CE1-CD2 4.29Å; F155-L160 HydrophobicContact CZ-CD2 3.72Å; D156-L160 PolarHBondContact O-N 3.18Å; L157-L160 PolarHBondContact O-N 2.99Å; E158-L160 VanDerWaalsContact C-N 3.29Å; E158-L160 PolarHBondContact O-N 3.15Å
161L85.6Confident74.8Confident67 Ų67130 Ų13035%0.35165%0.648SS.*Hα-helixtrans-108.1-14.3-172.4-62176.8000113.7L157 E163 Y164 Y165L157-L161 HydrophobicContact CD2-CD1 3.91Å; L157-L161 WeakPolarHBondContact O-CB 3.2Å; L157-L161 PolarHBondContact O-N 3.24Å; L161-E163 PolarHBondContact O-N 3.17Å; L161-Y164 CarbonylContact O-C 3.56Å; L161-Y164 WeakPolarHBondContact O-CA 3.21Å; L161-Y164 WeakPolarHBondContact O-CB 3.4Å; L161-Y164 PolarHBondContact O-N 2.8Å; L161-Y165 HydrophobicContact CB-CD2 3.98Å; L161-Y165 HydrophobicContact CB-CE2 3.9Å; L161-Y165 WeakPolarHBondContact O-CD2 3.49Å; L161-Y165 PolarHBondContact O-N 3.4Å
162G82.6Confident73Confident29 Ų29132 Ų13230%0.29966%0.659SS.*THydrogen-bonded Turntrans-60.8-29-175.700000114.3E158 Y164 Y165E158-G162 WeakPolarHBondContact O-CA 3.4Å; E158-G162 PolarHBondContact O-N 2.78Å; G162-Y164 VanDerWaalsContact C-N 3.25Å; G162-Y164 PolarHBondContact O-N 3.26Å; G162-Y165 PolarHBondContact O-N 3.09Å
163E79.7Confident71.4Confident157 Ų157131.1 Ų131.173%0.73466%0.66SS**THydrogen-bonded Turntrans-64.4-30.7171.6-63.3-172.5174.100112.2L161 R166L161-E163 PolarHBondContact O-N 3.17Å; E163-R166 WeakPolarHBondContact O-CG 3.35Å
164Y75.5Confident69.9Low186 Ų186126.9 Ų126.973%0.72964%0.642SS**THydrogen-bonded Turntrans-91.6-15.1178-55.1-79.6000113.6L161 G162 R166L161-Y164 CarbonylContact O-C 3.56Å; L161-Y164 WeakPolarHBondContact O-CA 3.21Å; L161-Y164 WeakPolarHBondContact O-CB 3.4Å; L161-Y164 PolarHBondContact O-N 2.8Å; G162-Y164 VanDerWaalsContact C-N 3.25Å; G162-Y164 PolarHBondContact O-N 3.26Å; Y164-R166 PolarHBondContact O-N 3.26Å
165Y70.3Confident68Low194 Ų194129.2 Ų129.276%0.76164%0.635SS**  trans-79.713.3171.9-86.8-75.6000113.7L161 G162 Y167L161-Y165 HydrophobicContact CB-CD2 3.98Å; L161-Y165 HydrophobicContact CB-CE2 3.9Å; L161-Y165 WeakPolarHBondContact O-CD2 3.49Å; L161-Y165 PolarHBondContact O-N 3.4Å; G162-Y165 PolarHBondContact O-N 3.09Å; Y165-Y167 PolarHBondContact O-N 2.87Å
166R69.8Low66.2Low206 Ų206132.9 Ų132.978%0.77765%0.653SS**  trans-75.6110.6170.7-65.1-91.5-97.3148.5-0.1107.9E163 Y164 E168E163-R166 WeakPolarHBondContact O-CG 3.35Å; Y164-R166 PolarHBondContact O-N 3.26Å; R166-E168 VanDerWaalsContact C-N 3.29Å; R166-E168 PolarHBondContact O-N 3.25Å
167Y55.4Low64.4Low202 Ų202132.5 Ų132.579%0.79266%0.658SS**  trans-64.793.2168.3-175.8-92.7000108.4Y165 E169Y165-Y167 PolarHBondContact O-N 2.87Å; Y167-E169 HydrophobicContact CD1-CB 4.29Å; Y167-E169 HydrophobicContact CE1-CB 3.9Å; Y167-E169 HydrophobicContact CE1-CG 4.03Å
168E56.2Low62.5Low171 Ų171134.3 Ų134.380%0.79967%0.668SS**  trans-79.9115.2166-171.3148.5-152.800107.3R166 A170R166-E168 VanDerWaalsContact C-N 3.29Å; R166-E168 PolarHBondContact O-N 3.25Å; E168-A170 PolarHBondContact O-N 3.37Å
169E48Very low60.7Low164 Ų164129.3 Ų129.377%0.76665%0.65SS**  trans-73.560.1-178-167.6169.4-163.400110.4Y167 C171Y167-E169 HydrophobicContact CD1-CB 4.29Å; Y167-E169 HydrophobicContact CE1-CB 3.9Å; Y167-E169 HydrophobicContact CE1-CG 4.03Å; E169-C171 VanDerWaalsContact C-N 3.26Å; E169-C171 PolarHBondContact O-N 3.45Å
170A49.9Very low59Low78 Ų78126.1 Ų126.165%0.64565%0.649SS**  trans-80.971.8-176.800000111.3E168E168-A170 PolarHBondContact O-N 3.37Å
171C40.6Very low57.4Low101 Ų101125.7 Ų125.768%0.68265%0.654SS**  trans67.4120.4153.6-54.70000118.6E169 A173E169-C171 VanDerWaalsContact C-N 3.26Å; E169-C171 PolarHBondContact O-N 3.45Å; C171-A173 HydrophobicContact CB-CB 4.4Å; C171-A173 PolarHBondContact O-N 3.32Å
172D49.4Very low56.1Low136 Ų136124.9 Ų124.973%0.72765%0.654SS**G310 helixtrans-48-15.1166.2-82.3-57.7000116.1V174 Q175D172-V174 PolarHBondContact O-N 2.83Å; D172-V174 VanDerWaalsContact O-N 3.1Å; D172-Q175 PolarHBondContact O-N 3.23Å; D172-Q175 VanDerWaalsContact O-N 3.07Å
173A53.6Low55Low74 Ų74129.1 Ų129.161%0.61267%0.67SS**G310 helixtrans-60-23.6-172.300000115.2C171C171-A173 HydrophobicContact CB-CB 4.4Å; C171-A173 PolarHBondContact O-N 3.32Å
174V49.9Very low54.3Low105 Ų105131.2 Ų131.264%0.63667%0.671SS**G310 helixtrans-81.3-27.4178.3177.80000112D172 E176 S177D172-V174 PolarHBondContact O-N 2.83Å; D172-V174 VanDerWaalsContact O-N 3.1Å; V174-E176 PolarHBondContact O-N 3.13Å; V174-S177 PolarHBondContact O-N 2.98Å
175Q43.9Very low53.8Low150 Ų150128.7 Ų128.770%0.70166%0.66SS**Hα-helixtrans-73.7-30.8-170.3-164.3167.3-70.300113.1D172 S177D172-Q175 PolarHBondContact O-N 3.23Å; D172-Q175 VanDerWaalsContact O-N 3.07Å; Q175-S177 VanDerWaalsContact C-N 3.35Å
176E48.4Very low53.5Low162 Ų162126.4 Ų126.476%0.75765%0.654SS**Hα-helixtrans-68.8-33.2175.5-62.3-166.4143.200112.5V174 L178 S179V174-E176 PolarHBondContact O-N 3.13Å; E176-L178 VanDerWaalsContact C-N 3.3Å; E176-L178 PolarHBondContact O-N 3.39Å; E176-S179 PolarHBondContact O-N 3.34Å
177S48.8Very low53.3Low82 Ų82122.4 Ų122.457%0.57365%0.648SS**Hα-helixtrans-69.6-22.6-175.6-67.90000114.1V174 Q175 S180V174-S177 PolarHBondContact O-N 2.98Å; Q175-S177 VanDerWaalsContact C-N 3.35Å; S177-S180 PolarHBondContact O-OG 2.97Å; S177-S180 VanDerWaalsContact O-OG 3.13Å
178L46Very low53.3Low126 Ų126121.2 Ų121.266%0.6665%0.647SS**Hα-helixtrans-80.6-26.7176.7-60.6-179.9000112.4E176 S180 S181E176-L178 VanDerWaalsContact C-N 3.3Å; E176-L178 PolarHBondContact O-N 3.39Å; L178-S180 VanDerWaalsContact C-N 3.32Å; L178-S180 PolarHBondContact O-N 3.15Å; L178-S181 PolarHBondContact O-N 3.07Å; L178-S181 PolarHBondContact O-OG 2.91Å
179S47.6Very low53.3Low56 Ų56119.1 Ų119.139%0.39264%0.64SS.*Hα-helixtrans-74.2-21.2-173.9-158.40000113.2E176 R185E176-S179 PolarHBondContact O-N 3.34Å; S179-R185 PolarHBondContact O-NH1 3.18Å; S179-R185 PolarHBondContact O-NH2 2.82Å; S179-R185 PolarHBondContact OG-NH1 3.49Å; S179-R185 PolarHBondContact OG-NH2 2.93Å
180S51.4Low53.3Low99 Ų99118.4 Ų118.469%0.69264%0.642SS**THydrogen-bonded Turntrans-81-14.8177.559.10000114.3S177 L178 S182S177-S180 PolarHBondContact O-OG 2.97Å; S177-S180 VanDerWaalsContact O-OG 3.13Å; L178-S180 VanDerWaalsContact C-N 3.32Å; L178-S180 PolarHBondContact O-N 3.15Å; S180-S182 PolarHBondContact O-N 2.83Å
181S53.3Low53.2Low94 Ų94117.5 Ų117.566%0.65764%0.64SS**THydrogen-bonded Turntrans-84.6-4.6-173.3720000115.4L178 L183L178-S181 PolarHBondContact O-N 3.07Å; L178-S181 PolarHBondContact O-OG 2.91Å; S181-L183 PolarHBondContact O-N 3.06Å; S181-L183 VanDerWaalsContact O-N 3.1Å
182S57.9Low53.2Low50 Ų50120.7 Ų120.735%0.3565%0.645SS.*  trans-69.1109.8-171.7-170.60000112.7S180 R184 R185S180-S182 PolarHBondContact O-N 2.83Å; S182-R184 PolarHBondContact O-N 2.96Å; S182-R185 PolarHBondContact O-N 3.19Å
183L59.6Low52.6Low118 Ų118123.2 Ų123.262%0.61865%0.65SS**Hα-helixtrans-49.6-35.1177-171.170.7000112.9S181 R185 K186 L187S181-L183 PolarHBondContact O-N 3.06Å; S181-L183 VanDerWaalsContact O-N 3.1Å; L183-R185 VanDerWaalsContact C-N 3.33Å; L183-R185 PolarHBondContact O-N 2.87Å; L183-K186 PolarHBondContact O-N 2.7Å; L183-L187 HydrophobicContact CG-CD1 4.46Å; L183-L187 WeakPolarHBondContact O-CG 3.34Å; L183-L187 PolarHBondContact O-N 3.09Å; L183-L187 VanDerWaalsContact O-N 3.12Å
184R65.7Low51.9Low202 Ų202124.7 Ų124.776%0.76266%0.655SS**Hα-helixtrans-57.3-40.4175.2-85.6-173.4173.1-176.3-1.5113.1S182 F188S182-R184 PolarHBondContact O-N 2.96Å; R184-F188 WeakPolarHBondContact O-CD2 3.29Å
185R63.5Low51.4Low132 Ų132130.4 Ų130.450%0.49867%0.667SS.*Hα-helixtrans-70.6-37.8179.1-58.8-172.9-159.1167.614.6110.8S179 S182 L183 L187 F188 L189S179-R185 PolarHBondContact O-NH1 3.18Å; S179-R185 PolarHBondContact O-NH2 2.82Å; S179-R185 PolarHBondContact OG-NH1 3.49Å; S179-R185 PolarHBondContact OG-NH2 2.93Å; S182-R185 PolarHBondContact O-N 3.19Å; L183-R185 VanDerWaalsContact C-N 3.33Å; L183-R185 PolarHBondContact O-N 2.87Å; R185-L187 VanDerWaalsContact C-N 3.32Å; R185-L187 PolarHBondContact O-N 2.83Å; R185-F188 PolarHBondContact O-N 3.38Å; R185-L189 HydrophobicContact CB-CD1 4.27Å; R185-L189 PolarHBondContact O-N 2.96Å
186K64.6Low51Low147 Ų147129.1 Ų129.164%0.63967%0.674SS**Hα-helixtrans-69.8-24.5-179.3-150.8174.669.4172.10113.8L183 F188L183-K186 PolarHBondContact O-N 2.7Å; K186-F188 VanDerWaalsContact C-N 3.3Å; K186-F188 PolarHBondContact O-N 3.27Å
187L65.1Low50.3Low122 Ų122126.9 Ų126.964%0.63968%0.677SS**THydrogen-bonded Turntrans-76.8-10.9173.8-69.9173000114.4L183 R185L183-L187 HydrophobicContact CG-CD1 4.46Å; L183-L187 WeakPolarHBondContact O-CG 3.34Å; L183-L187 PolarHBondContact O-N 3.09Å; L183-L187 VanDerWaalsContact O-N 3.12Å; R185-L187 VanDerWaalsContact C-N 3.32Å; R185-L187 PolarHBondContact O-N 2.83Å
188F56.8Low49.6Very low177 Ų177128.1 Ų128.178%0.77669%0.686SS**SBendtrans-128.715.6-174.1-59.7-58.9000114.3R184 R185 K186R184-F188 WeakPolarHBondContact O-CD2 3.29Å; R185-F188 PolarHBondContact O-N 3.38Å; K186-F188 VanDerWaalsContact C-N 3.3Å; K186-F188 PolarHBondContact O-N 3.27Å
189L54.4Low48.8Very low127 Ų127129.9 Ų129.967%0.66570%0.696SS**  trans-120.2-8.6-179.4-84164.9000115.2R185 G191R185-L189 HydrophobicContact CB-CD1 4.27Å; R185-L189 PolarHBondContact O-N 2.96Å; L189-G191 PolarHBondContact O-N 2.85Å
190D49.5Very low48.3Very low148 Ų148132.2 Ų132.279%0.79171%0.712SS**THydrogen-bonded Turntrans-81.569.8174.3-71.3-23.8000110.7
191G48.1Very low47.4Very low59 Ų59133.2 Ų133.261%0.60872%0.719SS**THydrogen-bonded Turntrans-130.5-10.3-174.600000116.4L189L189-G191 PolarHBondContact O-N 2.85Å
192Q39.7Very low46.7Very low169 Ų169135 Ų13579%0.7973%0.726SS**  trans-120.585.2174.4-85.788.81.900111.8S194Q192-S194 PolarHBondContact O-N 3.5Å
193F38Very low45.8Very low189 Ų189137.9 Ų137.983%0.82974%0.744SS**  trans-69.3111.6150.3-77.6-88.3000108.1
194S37.8Very low44.7Very low104 Ų104138.1 Ų138.173%0.72775%0.752SS**  trans-145.4113.5166.7-77.80000110.2Q192 S196Q192-S194 PolarHBondContact O-N 3.5Å; S194-S196 PolarHBondContact O-N 2.85Å
195Y39.3Very low43.2Very low226 Ų226133.9 Ų133.989%0.88675%0.754SS**  trans-57.6121.6171.6-50.4-96.3000109.6
196S35.4Very low42Very low122 Ų122133.7 Ų133.785%0.85377%0.769SS**  trans-147.6123.9156.6-98.80000110.5S194S194-S196 PolarHBondContact O-N 2.85Å
197S33.3Very low40.4Very low115 Ų115134.7 Ų134.780%0.80478%0.782SS**  trans-61154.9169-177.30000110.1D199S197-D199 PolarHBondContact O-N 2.79Å
198S33.9Very low38.8Very low109 Ų109140.4 Ų140.476%0.76280%0.795SS**  trans-43.1134.6172.7-49.40000112.9
199D30.9Very low37.5Very low162 Ų162136.1 Ų136.187%0.86679%0.792SS**  trans-153.2150.6130.4-119.3-24.6000112.1S197S197-D199 PolarHBondContact O-N 2.79Å
200S37.3Very low36.5Very low106 Ų106138.4 Ų138.474%0.74181%0.805SS**  trans-79.7135.7-172.457.90000113.2
201S31.4Very low35.5Very low119 Ų119134.8 Ų134.883%0.83280%0.803SS**  trans-175.3130.3141.336.70000113
202T38.9Very low34.6Very low133 Ų133142.2 Ų142.282%0.81681%0.813SS**PPolyproline II helixtrans-75.4132.2168.6-32.20000109.5
203P38.3Very low34.3Very low110 Ų110142.2 Ų142.271%0.71482%0.817SS**PPolyproline II helixtrans-74.1134.7170.729.5-32.6000110.5
204P37Very low34Very low122 Ų122141.1 Ų141.179%0.79281%0.814SS**PPolyproline II helixtrans-75.6141.7178.130.4-34.1000111.9
205S34.2Very low33.7Very low114 Ų114139.4 Ų139.480%0.79781%0.813SS**PPolyproline II helixtrans-63.7140.4173.4-53.10000111.7D207S205-D207 PolarHBondContact O-N 3.46Å; S205-D207 VanDerWaalsContact O-N 3.12Å
206P38.5Very low33.6Very low127 Ų127135 Ų13583%0.82581%0.812SS**  trans-80.195.717631.7-33000111R208P206-R208 PolarHBondContact O-N 3.35Å
207D31Very low33.3Very low168 Ų168134.1 Ų134.190%0.89881%0.806SS**  trans-59.3121.7160.1-121.1-25.6000109S205S205-D207 PolarHBondContact O-N 3.46Å; S205-D207 VanDerWaalsContact O-N 3.12Å
208R31.8Very low33.7Very low242 Ų242134.4 Ų134.491%0.91381%0.805SS**  trans-130.494.9168.4-156.8171.1-162156.26.7111.7P206P206-R208 PolarHBondContact O-N 3.35Å
209A29.5Very low33.4Very low88 Ų88139.5 Ų139.573%0.72781%0.809SS**  trans-55.8156172.700000113.5G211A209-G211 PolarHBondContact O-N 2.88Å
210N33.2Very low33.4Very low174 Ų174142.8 Ų142.893%0.9381%0.809SS**  trans-51.4127.5175.3-63.5-60.7000112.4
211G28.6Very low32.9Very low72 Ų72141.6 Ų141.674%0.74281%0.814SS**  trans-141.963.8-170.300000113.9A209A209-G211 PolarHBondContact O-N 2.88Å
212R29.2Very low32.7Very low216 Ų216139.6 Ų139.682%0.81581%0.812SS**  trans-28.8123.4171.2-175.4-176-170.6-78.7-0.5115.3
213L34Very low32.4Very low169 Ų169138 Ų13889%0.88581%0.812SS**  trans-99.1115163.9-90167.7000110.6
214E31.8Very low32Very low166 Ų166144.1 Ų144.178%0.77682%0.821SS**  trans-172.5135.4135.8-111.2-167.2168.900109.4
215G29.5Very low31.8Very low67 Ų67142.4 Ų142.469%0.69182%0.817SS**  trans-108-157.1166.200000110.3
216P37.4Very low31.7Very low133 Ų133143.5 Ų143.586%0.86482%0.82SS**  cis-115-179.3-14.738.4-24.5000112.5
217S30.3Very low31.3Very low105 Ų105141 Ų14173%0.73482%0.817SS**  trans-77.3164.1176.382.50000112.8
218P40.6Very low31.4Very low121 Ų121141.2 Ų141.279%0.78682%0.818SS**  -147.5164.671.537.8-17.9000118.7
219Y28.3Very low31.4Very low216 Ų216132.6 Ų132.685%0.84781%0.805SS**  trans-15.1145.6163-89.1-97.5000122.5
220R30.3Very low31.9Very low230 Ų230134.3 Ų134.387%0.86881%0.806SS**  trans109.290133.6-163.1-174.8-65.5-98.51119.1
221G27.3Very low31.9Very low82 Ų82135.2 Ų135.285%0.84580%0.804SS**  88.4145.3124.200000119.8
222G27.8Very low32.2Very low77 Ų77135.6 Ų135.679%0.79481%0.808SS**  trans11793.815300000118.5
223A31.8Very low32.3Very low99 Ų99134.7 Ų134.782%0.81881%0.814SS**  trans44.8112133.900000123
224R30.6Very low32.2Very low238 Ų238130.8 Ų130.890%0.89881%0.805SS**  78.7114112.2-161.4179.3-166.6176.44.5121.4
225A32.8Very low32.2Very low86 Ų86130.3 Ų130.371%0.71181%0.808SS**  trans68.6157150.900000117.3
226T32Very low32.2Very low138 Ų138133.2 Ų133.285%0.84781%0.812SS**  cis-156.814119.6-42.10000111.6
227G29.8Very low31.7Very low75 Ų75132.3 Ų132.377%0.77381%0.809SS**  trans63.1168.5156.700000118.1
228D33.5Very low31.6Very low171 Ų171132.9 Ų132.991%0.91481%0.807SS**  cis-164166.1-18.6-166.24.4000106.9
229G31.5Very low31.6Very low62 Ų62133.2 Ų133.264%0.63981%0.812SS**  trans105.870.7164.800000118.9
230V39.4Very low32.1Very low123 Ų123128.2 Ų128.275%0.74581%0.805SS**  38114.9123.6-172.90000120.4
231E34.1Very low32.3Very low193 Ų193123.1 Ų123.190%0.90281%0.805SS**  trans29.7145.6132.2-50.5-176.1156.100123.2
232G34.4Very low33.1Very low80 Ų80125.4 Ų125.483%0.82581%0.805SS**  trans157.393.9155.800000114.5
233E31Very low33.3Very low198 Ų198129.7 Ų129.793%0.92581%0.809SS**  trans-73.5173174.4-66.8178.9107.400113.6
234A32Very low33.3Very low86 Ų86129.7 Ų129.771%0.71181%0.808SS**  trans111103.2141.300000119.5
235L32.4Very low33.2Very low157 Ų157122.3 Ų122.382%0.82281%0.807SS**  83.1135.4128.9-61.9173.5000122.2
236T29.2Very low33Very low128 Ų128121.4 Ų121.479%0.78581%0.806SS**  trans68.712014749.80000121.2
237S26.2Very low32.8Very low114 Ų114127.1 Ų127.180%0.79781%0.812SS**  trans-150.6101.6154.4-173.80000105.6
238V29.3Very low32.9Very low116 Ų116129.4 Ų129.470%0.70382%0.816SS**  54.393.469.7-172.90000111.5P240V238-P240 WeakPolarHBondContact O-CD 3.13Å
239C39.4Very low32.8Very low129 Ų129125.8 Ų125.887%0.87281%0.81SS**  trans-66.4139.6168.6-60.60000110.9
240P39.1Very low32.7Very low110 Ų110131.8 Ų131.871%0.71482%0.822SS**  trans-135.9143134.335.7-24.5000112.9V238V238-P240 WeakPolarHBondContact O-CD 3.13Å
241S34.1Very low32.5Very low124 Ų124132.3 Ų132.387%0.86783%0.825SS**  trans-78.3148.1161-54.50000110.5
242P44.2Very low32.6Very low129 Ų129129.2 Ų129.284%0.83882%0.822SS**  trans-130.8164.7147.834.8-22.1000114
243L32.7Very low32.4Very low168 Ų168130.8 Ų130.888%0.8882%0.82SS**  trans-88.9158.2-168.1-140.179.7000113.8
244A31.2Very low32.8Very low98 Ų98128.1 Ų128.181%0.8182%0.817SS**  trans73.7127.6141.600000121.9
245G29.5Very low33Very low84 Ų84127 Ų12787%0.86681%0.814SS**  trans139121.1166.200000110.8
246G28.2Very low33.4Very low67 Ų67128 Ų12869%0.69182%0.815SS**  cis150.3142.10.200000109.8
247R28.7Very low33.6Very low257 Ų257131 Ų13197%0.9782%0.817SS**  trans86.7109.9179.6-51.7168.971.3-177.83116.2
248S31Very low34Very low124 Ų124130.7 Ų130.787%0.86782%0.815SS**  trans-121.4146.8147.8-169.70000108.3
249A31.5Very low34.2Very low95 Ų95130.2 Ų130.279%0.78582%0.817SS**  trans-137.8156176.800000106.4
250Q29.9Very low33.9Very low188 Ų188129.6 Ų129.688%0.87981%0.814SS**  cis-155.6136.110.5-178.6176.96.600107
251T33.7Very low34.8Very low133 Ų133129.7 Ų129.782%0.81682%0.815SS**  trans-99.9140.3172470000111.3
252P37.2Very low35.1Very low128 Ų128130.8 Ų130.883%0.83181%0.809SS**  trans-90.1148.2155.733.2-27.9000110.7
253S30.9Very low34.7Very low113 Ų113132.4 Ų132.479%0.7981%0.806SS**  trans-113.4160-166.756.40000113.9
254T37.8Very low34.8Very low142 Ų142133.2 Ų133.287%0.87181%0.805SS**  trans-171.8115.8146.4-67.20000104.2
255G36.5Very low34.9Very low62 Ų62132.1 Ų132.164%0.63980%0.803SS**  86.3124.451.700000108.9
256Q41.4Very low34.9Very low179 Ų179134.3 Ų134.384%0.83680%0.804SS**  cis-155.3127.512.4-69.9177.3-71.700108.8
257F32.4Very low35.2Very low190 Ų190140 Ų14083%0.83381%0.81SS**  77.9108.8100.4-65.1-57.3000120.8
258S34.8Very low35.8Very low108 Ų108138.2 Ų138.276%0.75580%0.803SS**  175.6114.6124.240.60000109.4
259S34.8Very low36.3Very low107 Ų107137.6 Ų137.675%0.74879%0.79SS**  61.1121.371.471.60000113.5
260S32.7Very low36.4Very low115 Ų115139 Ų13980%0.80479%0.792SS**  cis-160.3175.59.4-75.20000111.1
261P58Low36.6Very low113 Ų113134.8 Ų134.873%0.73478%0.784SS**  trans-108.5-170.2-179.136.9-25.8000115.9
262I39.7Very low36.9Very low147 Ų147136.9 Ų136.975%0.75479%0.789SS**  trans85119.7159.9-15.8176.4000121
263Q35.1Very low36.7Very low162 Ų162134.2 Ų134.276%0.75779%0.785SS**  144.5122120.5-76.7-165.9-4.700116.6
264Q36Very low36.9Very low186 Ų186134.5 Ų134.587%0.86979%0.787SS**  trans37.7123.9141.5-63178.4-16.100122.2
265G32.4Very low36.8Very low75 Ų75135.4 Ų135.477%0.77379%0.785SS**  121.3156.4118.600000119.5
266C30.4Very low36.6Very low129 Ų129138.3 Ų138.387%0.87280%0.795SS**  trans75.5113.1172.1-87.90000120.6
267F34.9Very low36.3Very low186 Ų186134.3 Ų134.382%0.81679%0.787SS**  trans-22.1145.8138.7-63.7-101.8000115.5
268R40.3Very low36.7Very low221 Ų221131.1 Ų131.183%0.83479%0.786SS**  -167.4144.5123-97.9-79.3164.5-127.6-5.2112
269D41.3Very low36.6Very low111 Ų111134 Ų13459%0.59479%0.791SS**  trans-71.3146.6-175.3-32.2-85.6000113.1
270C34.9Very low36.8Very low123 Ų123138 Ų13883%0.83180%0.796SS**  trans163.5153150.2-89.80000108.6
271S34.1Very low37.4Very low101 Ų101138.8 Ų138.871%0.70680%0.798SS**  cis168120.3-23.2-98.40000105.5
272L39.8Very low36.1Very low176 Ų176140.1 Ų140.192%0.92180%0.799SS**  trans41.6122.2150.6-57.2173.7000121
273G32.6Very low35.8Very low73 Ų73143.9 Ų143.975%0.75380%0.804SS**  trans-175.558.3168.400000112
274S34Very low35.7Very low119 Ų119140.8 Ų140.883%0.83280%0.8SS**  59.697.9107.7-63.80000115.2
275I35.6Very low35.7Very low161 Ų161137.4 Ų137.483%0.82680%0.797SS**  trans-64.8145.2161.952.7174.7000111.1
276S33.2Very low36.5Very low122 Ų122139.6 Ų139.685%0.85380%0.798SS**  trans-108.6102.9172.459.40000110.9
277S34.9Very low36.7Very low96 Ų96138.6 Ų138.667%0.67180%0.799SS**PPolyproline II helixtrans-93.5146167.6-590000110.5
278P40.7Very low36.5Very low122 Ų122132.6 Ų132.679%0.79279%0.789SS**PPolyproline II helixtrans-75150.4-179.730.4-34.5000112.8
279L32.4Very low36.2Very low168 Ų168131.4 Ų131.488%0.8879%0.793SS**PPolyproline II helixtrans-83.6143.2-177.2-71.4151.2000112.6
280F39.3Very low35.8Very low193 Ų193131 Ų13185%0.84680%0.804SS**  trans-120.2143.4153-77.9-80.3000109.1
281P45.9Very low35.7Very low131 Ų131130.4 Ų130.485%0.85180%0.802SS**  trans-78138.5-172.530.1-34.1000113.3
282D30.4Very low35.9Very low140 Ų140131.8 Ų131.875%0.74981%0.808SS**  trans-72.6142.5-178.8173.324.8000113.4S284D282-S284 PolarHBondContact OD1-N 3.43Å; D282-S284 VanDerWaalsContact OD1-N 3.16Å
283R34.1Very low35.7Very low227 Ų227130 Ų13086%0.85781%0.805SS**  trans-159.2110.2131.5-113.3171-170.2-94-0.6114.8
284S33Very low36.1Very low97 Ų97132.7 Ų132.768%0.67881%0.806SS**  trans72.3114.6141.947.80000121.3D282D282-S284 PolarHBondContact OD1-N 3.43Å; D282-S284 VanDerWaalsContact OD1-N 3.16Å
285S34.9Very low36.1Very low115 Ų115132 Ų13280%0.80480%0.802SS**  trans-93-173.5154-42.30000110
286P49.4Very low36.6Very low121 Ų121130.3 Ų130.379%0.78680%0.801SS**  cis-140.5-169.75.643.2-23.2000116.8
287A33.9Very low37Very low108 Ų108131.8 Ų131.889%0.89380%0.798SS**  trans72.4145.717600000116.2
288G31.1Very low36.9Very low59 Ų59135 Ų13561%0.60881%0.806SS**  cis172.3148.3-7.300000111.4
289H34.2Very low37Very low197 Ų197135 Ų13591%0.91280%0.804SS**  trans75.8150.6174.2-52.5-82.4000120.2
290A33Very low37Very low102 Ų102134 Ų13484%0.84380%0.8SS**  trans83.7122.8157.600000120.8
291S33.6Very low36.7Very low111 Ų111132.6 Ų132.678%0.77680%0.798SS**  trans-49.6164.1178.3-50.20000118.2
292P38.7Very low35.9Very low129 Ų129130.9 Ų130.984%0.83879%0.794SS**  trans-71142.8177.630.7-36.6000112.4
293T35.3Very low36Very low139 Ų139136.1 Ų136.185%0.85380%0.804SS**  trans-109.1139.7167.5-59.30000109.5
294V40.5Very low36Very low129 Ų129131.2 Ų131.278%0.78280%0.799SS**  trans-77.1155.3-174.3-163.80000111.1
295S33Very low36.2Very low106 Ų106132.3 Ų132.374%0.74180%0.804SS**  trans-14.9162.3163.3-45.60000119.2
296P47.2Very low36Very low125 Ų125136.8 Ų136.881%0.81280%0.803SS**  cis-147.2-161.425.743.3-20.9000116.6
297I42.4Very low35Very low153 Ų153136.5 Ų136.579%0.78580%0.795SS**  trans-51.4137.2175.6-59.9156.9000113.4
298L31.8Very low35Very low162 Ų162137 Ų13785%0.84879%0.792SS**  trans-146.1136.8144.9-15380.8000111.8
299V42.4Very low35Very low123 Ų123137.5 Ų137.575%0.74580%0.797SS**  trans-82.4135.2165.9171.10000108.2
300D33Very low35.1Very low148 Ų148137.8 Ų137.879%0.79180%0.798SS**  trans-151.8164.3146.4-138.6-19.8000114.1
301M32.1Very low35.1Very low163 Ų163141.3 Ų141.380%0.80380%0.797SS**  trans-135.8108.8-148.8165.717953.600110.6
302A30Very low35.2Very low94 Ų94145 Ų14578%0.77780%0.8SS**  trans-156.4102.4171.800000117.2
303R32.9Very low35.1Very low251 Ų251146.8 Ų146.895%0.94780%0.797SS**  70.8150.8129.4-64.3-172.4173.6-153.7-3.1122.3
304T34.1Very low34.9Very low123 Ų123147.9 Ų147.976%0.75579%0.791SS**  trans-100.6175.2-168.749.40000113.7
305P37.6Very low34.3Very low121 Ų121145.7 Ų145.779%0.78678%0.782SS**  -124.1134.9114.235.4-29.5000110.9
306R29.4Very low34.2Very low209 Ų209148.4 Ų148.479%0.78979%0.788SS**  52.412975.3-75.5-165.677.6-173.51.3113
307D28.6Very low33.6Very low115 Ų115151.6 Ų151.662%0.61579%0.79SS**  cis-164.8179.32.8-138.4-29.9000111.5
308S33.6Very low33.1Very low119 Ų119150 Ų15083%0.83279%0.787SS**  trans78.2131175.8860000117
309G32Very low33.9Very low68 Ų68148.2 Ų148.270%0.70179%0.785SS**  cis-176.4172.7-5.800000114
310E35.4Very low33.3Very low203 Ų203151.3 Ų151.395%0.94979%0.791SS**  trans80.4149.7177.1-51.7-149.9138.400118.2
311Q34Very low33.1Very low176 Ų176148.2 Ų148.282%0.82280%0.795SS**  trans-149.4120.3-142169.3-16421.200109.1
312K34.4Very low33Very low190 Ų190144 Ų14483%0.82679%0.792SS**  trans-167.3132.7144.3-117.1167.6-179.8177.20114.2
313H36.6Very low33.4Very low166 Ų166145.6 Ų145.677%0.76980%0.795SS**  trans-65.7155.4159.8-64.2-110.9000110.4
314H31.9Very low33.7Very low161 Ų161142.1 Ų142.175%0.74579%0.794SS**  trans-177.1101.7136.5-82.3-48.9000106.5
315S28.1Very low33.7Very low83 Ų83143.7 Ų143.758%0.5880%0.798SS**  72.1117.184.669.30000114.3
316N31.3Very low33.6Very low163 Ų163142.2 Ų142.287%0.87280%0.796SS**  trans-54.3137.9177.8-52.5-68.3000112.8
317F34Very low33.8Very low193 Ų193139.7 Ų139.785%0.84680%0.798SS**  trans-143.6124160.2-93.1-76.6000112.3
318T32.6Very low34.2Very low119 Ų119140.6 Ų140.673%0.7381%0.807SS**PPolyproline II helixtrans-69.4139.8165.5-50.60000110.3
319P48.8Very low34.1Very low124 Ų124138.6 Ų138.681%0.80580%0.799SS**PPolyproline II helixtrans-83.1121.6168.831.6-30.6000111.2
320H29Very low34.1Very low188 Ų188142.6 Ų142.687%0.8780%0.803SS**PPolyproline II helixtrans-91.3126.2167.1-103-72.8000110.9
321G29.2Very low34.1Very low84 Ų84138.7 Ų138.787%0.86679%0.793SS**  trans47.8112139.600000121.1
322G29.9Very low34Very low73 Ų73137.1 Ų137.175%0.75379%0.791SS**  trans-146.3130.2152.700000108.9
323P38.3Very low33.9Very low128 Ų128136.6 Ų136.683%0.83179%0.791SS**  trans-90.5145.5-166.834.9-34.6000112.8
324L39.1Very low33.8Very low178 Ų178132.9 Ų132.993%0.93278%0.784SS**  trans-154.7137.7151.5-109.3161.6000110
325D32.9Very low34.2Very low156 Ų156130.9 Ų130.983%0.83479%0.785SS**  trans-87.6122.7-169.1-175.618000110.9
326A36.7Very low34.6Very low91 Ų91136.6 Ų136.675%0.75280%0.8SS**  trans-165.398.1170.300000111.2V328A326-V328 PolarHBondContact O-N 3.08Å
327D32.4Very low35.3Very low155 Ų155134.3 Ų134.383%0.82979%0.791SS**  trans-72.5106175.6-176.919.6000112
328V37.1Very low35.7Very low134 Ų134134.5 Ų134.581%0.81280%0.795SS**  trans-143.3118.3161.7-176.60000109.7A326A326-V328 PolarHBondContact O-N 3.08Å
329A33Very low36.2Very low78 Ų78132.5 Ų132.565%0.64580%0.797SS**  trans-67137.2-179.100000113.3T331A329-T331 PolarHBondContact O-N 2.88Å; A329-T331 VanDerWaalsContact O-N 3.15Å
330L32.1Very low35.6Very low152 Ų152131.5 Ų131.580%0.79679%0.792SS**  trans-78.193.7173.2-145.390.6000110.1N332L330-N332 PolarHBondContact O-N 3.29Å; L330-N332 VanDerWaalsContact O-N 3.08Å
331T35Very low36.3Very low121 Ų121128 Ų12874%0.74279%0.789SS**  trans-77.391.7175.6510000111A329 E333A329-T331 PolarHBondContact O-N 2.88Å; A329-T331 VanDerWaalsContact O-N 3.15Å; T331-E333 VanDerWaalsContact C-N 3.28Å; T331-E333 PolarHBondContact O-N 3.34Å
332N32.1Very low36.9Very low143 Ų143129.6 Ų129.677%0.76578%0.784SS**  trans-71.384.7163.8-74.3-40.5000109.5L330 S334L330-N332 PolarHBondContact O-N 3.29Å; L330-N332 VanDerWaalsContact O-N 3.08Å; N332-S334 PolarHBondContact O-N 2.95Å
333E31.7Very low37.2Very low179 Ų179134 Ų13484%0.83679%0.789SS**  trans-82.495.1176.3-169.6173.7-177.600110.3T331T331-E333 VanDerWaalsContact C-N 3.28Å; T331-E333 PolarHBondContact O-N 3.34Å
334S34.9Very low37.2Very low88 Ų88138.7 Ų138.762%0.61579%0.79SS**PPolyproline II helixtrans-82.4134.2164600000109.9N332 F336N332-S334 PolarHBondContact O-N 2.95Å; S334-F336 PolarHBondContact O-N 2.75Å
335P40.8Very low36.8Very low118 Ų118135.3 Ų135.377%0.76678%0.781SS**PPolyproline II helixtrans-65.9124.6-17927.1-34000111.2V337P335-V337 PolarHBondContact O-N 3.27Å
336F36.1Very low36.6Very low204 Ų204133.6 Ų133.690%0.89578%0.78SS**PPolyproline II helixtrans-63.4122.3172.5-91-106.5000110.5S334S334-F336 PolarHBondContact O-N 2.75Å
337V45.1Very low36.3Very low114 Ų114133.2 Ų133.269%0.69177%0.772SS**  trans-95.2103.7160.1177.20000107.4P335 G339P335-V337 PolarHBondContact O-N 3.27Å; V337-G339 PolarHBondContact O-N 3.04Å
338E43.4Very low36.3Very low198 Ų198132.1 Ų132.193%0.92577%0.773SS**THydrogen-bonded Turntrans-72.3106.8178.5-171.8148-148.600109.9
339G41.7Very low36.1Very low76 Ų76134.1 Ų134.178%0.78477%0.773SS**THydrogen-bonded Turntrans149.9-11.3-178.800000116.3V337V337-G339 PolarHBondContact O-N 3.04Å
340C38.2Very low36.1Very low103 Ų103139.6 Ų139.670%0.69679%0.786SS**  trans-118117.2-180-610000112.2P342C340-P342 WeakPolarHBondContact O-CD 3.39Å
341S42.8Very low35.9Very low115 Ų115140.2 Ų140.280%0.80479%0.789SS**  trans-62.8121.3171.5-62.60000110.8I343S341-I343 PolarHBondContact O-N 3.14Å
342P40.9Very low35.7Very low117 Ų117142.1 Ų142.176%0.7679%0.789SS**  trans-68.9118.7175.9-18.131.9000110.3C340 R344C340-P342 WeakPolarHBondContact O-CD 3.39Å; P342-R344 PolarHBondContact O-N 3.42Å
343I37.7Very low35.5Very low167 Ų167145.7 Ų145.786%0.85679%0.793SS**  trans-68.1105.2174.2-56.1176.1000107.9S341 S345S341-I343 PolarHBondContact O-N 3.14Å; I343-S345 PolarHBondContact O-N 2.82Å
344R37.9Very low35.4Very low225 Ų225145.6 Ų145.685%0.84979%0.793SS**  trans-6997.9178.1-77-93.2-179.1153.6-3.1110.2P342 C346P342-R344 PolarHBondContact O-N 3.42Å; R344-C346 PolarHBondContact O-N 2.65Å
345S30.4Very low35.1Very low107 Ų107147.9 Ų147.975%0.74879%0.793SS**  trans-69.6103.8165.355.90000110I343 S347I343-S345 PolarHBondContact O-N 2.82Å; S345-S347 PolarHBondContact O-N 3.15Å
346C29.6Very low34.6Very low121 Ų121149.6 Ų149.682%0.81880%0.796SS**  trans-84.997.9177.5-69.30000111.3R344R344-C346 PolarHBondContact O-N 2.65Å
347S30.3Very low34.4Very low83 Ų83146.3 Ų146.358%0.5878%0.784SS**  trans-82.9125.1168.4-480000110.5S345 H349S345-S347 PolarHBondContact O-N 3.15Å; S347-H349 PolarHBondContact O-N 3.04Å; S347-H349 VanDerWaalsContact O-N 3.14Å; S347-H349 PolarHBondContact O-ND1 3.18Å; S347-H349 VanDerWaalsContact O-ND1 3.15Å
348P31.4Very low33.7Very low132 Ų132147.3 Ų147.386%0.85779%0.785SS**  trans-71.9110.4179.828.9-32.8000110.3
349H33.2Very low33.2Very low175 Ų175143.6 Ų143.681%0.8178%0.776SS**PPolyproline II helixtrans-79140.7175.6-79.262.8000111.5S347 L351S347-H349 PolarHBondContact O-N 3.04Å; S347-H349 VanDerWaalsContact O-N 3.14Å; S347-H349 PolarHBondContact O-ND1 3.18Å; S347-H349 VanDerWaalsContact O-ND1 3.15Å; H349-L351 PolarHBondContact O-N 3.32Å
350Q33.1Very low32.9Very low194 Ų194146.2 Ų146.291%0.90778%0.782SS**PPolyproline II helixtrans-66.4123.3-174.6-160.5169.716.600111.2H352Q350-H352 PolarHBondContact O-N 3.02Å
351L28.6Very low33Very low165 Ų165151.1 Ų151.186%0.86479%0.786SS**PPolyproline II helixtrans-72.5119.4178-86.3168.7000111.2H349H349-L351 PolarHBondContact O-N 3.32Å
352H29.5Very low33.1Very low161 Ų161151 Ų15175%0.74578%0.783SS**PPolyproline II helixtrans-95.2124.1169.1-162.979.3000109.6Q350Q350-H352 PolarHBondContact O-N 3.02Å
353Y27.4Very low32.8Very low218 Ų218153.5 Ų153.586%0.85578%0.782SS**PPolyproline II helixtrans-77.7125.5173.6-90.9-98.8000110.3
354Q31.3Very low32.6Very low177 Ų177150.3 Ų150.383%0.82778%0.78SS**  trans-132.4139.7151.1-82.6-164.1-21.900110.9
355H28.2Very low32.9Very low135 Ų135151.7 Ų151.763%0.62579%0.785SS**  trans-103.6132.1178.2164.9-68.5000107.1Q357H355-Q357 PolarHBondContact CE1-NE2 3.37Å; H355-Q357 PolarHBondContact NE2-NE2 2.99Å
356D29.8Very low33.2Very low154 Ų154152.1 Ų152.182%0.82479%0.785SS**  trans-165.8161.6138.6-98.9-13.4000114.4
357Q32.8Very low33.5Very low135 Ų135158.2 Ų158.263%0.63179%0.791SS**  trans-107138.4-159.1-54.1171.23.600111.3H355H355-Q357 PolarHBondContact CE1-NE2 3.37Å; H355-Q357 PolarHBondContact NE2-NE2 2.99Å
358N30.6Very low33.5Very low135 Ų135159.4 Ų159.472%0.72280%0.795SS**  170.7144.1108.1-91.8-52.4000116.8
359T31.9Very low33.6Very low121 Ų121164.1 Ų164.174%0.74280%0.795SS**  trans48.999.9147.559.50000121.5
360S34.3Very low33.5Very low130 Ų130162.7 Ų162.791%0.90979%0.794SS**  172.715410350.70000112.9
361R41.6Very low33.4Very low207 Ų207165.4 Ų165.478%0.78180%0.796SS**  trans-116164.1178.7-120.2-156.6171.7169.72.6108.2
362P43.8Very low33.6Very low113 Ų113162.1 Ų162.173%0.73479%0.792SS**  cis-141.9147.637.336.3-15.1000119.5
363K35Very low33.9Very low169 Ų169159.7 Ų159.774%0.73579%0.793SS**  trans40.6107.4145.4-68.7178.9176.1173.50119.8
364A33.4Very low34.4Very low99 Ų99155 Ų15582%0.81879%0.79SS**  trans-127.7147.2132.200000109.2
365R44.9Very low34.8Very low255 Ų255152 Ų15296%0.96279%0.785SS**  trans-105122176.7-78.3178.9170172.3-4.1110
366P37.3Very low35.2Very low115 Ų115153.8 Ų153.875%0.74780%0.799SS**  trans-104.1135.9154.22.618000110.4V368P366-V368 PolarHBondContact O-N 3.32Å
367R34.6Very low35.5Very low250 Ų250154 Ų15494%0.94380%0.798SS**  trans-87.798-179.3-170177-170.1156.8-0109.2R369R367-R369 PolarHBondContact O-N 2.96Å
368V31.4Very low35.6Very low107 Ų107152.2 Ų152.265%0.64880%0.801SS**  trans-64.5122.3-179.5179.10000110.7P366 N370P366-V368 PolarHBondContact O-N 3.32Å; V368-N370 WeakPolarHBondContact CG1-OD1 3.44Å
369R33.6Very low35.9Very low232 Ų232152 Ų15288%0.87581%0.807SS**  trans-98.3103.7155.5-81-168.1179.1-155.52.2107.2R367R367-R369 PolarHBondContact O-N 2.96Å
370N31.6Very low36.2Very low144 Ų144154.2 Ų154.277%0.7781%0.812SS**  trans-74.3128.4168.9-70.8-36.2000108.7V368 A372V368-N370 WeakPolarHBondContact CG1-OD1 3.44Å; N370-A372 PolarHBondContact O-N 3.34Å
371W29.6Very low36.3Very low252 Ų252156.2 Ų156.296%0.95581%0.812SS**  trans-78.3114.8162.7-72.985.4000107.5
372A34.2Very low35.7Very low96 Ų96153.8 Ų153.879%0.79382%0.815SS**PPolyproline II helixtrans-82139.2176.200000110.2N370N370-A372 PolarHBondContact O-N 3.34Å
373S35.4Very low35.6Very low109 Ų109153.5 Ų153.576%0.76281%0.812SS**PPolyproline II helixtrans-61.2151.4167.7-53.20000111.1
374P36.7Very low35.3Very low121 Ų121155 Ų15579%0.78682%0.819SS**PPolyproline II helixtrans-66.9143.1177.628.1-34.5000111.4
375P41.2Very low35.1Very low112 Ų112158.2 Ų158.273%0.72782%0.821SS**PPolyproline II helixtrans-79144.3-178.131.7-34.7000112.7
376L36.2Very low34.5Very low174 Ų174154.3 Ų154.391%0.91181%0.814SS**PPolyproline II helixtrans-71.8127.8167-64.2168000109.4
377I36.5Very low34Very low158 Ų158155.6 Ų155.681%0.8182%0.815SS**PPolyproline II helixtrans-101.6120178.3-60.2174.8000109
378S34.6Very low33.7Very low98 Ų98155.5 Ų155.569%0.68582%0.815SS**PPolyproline II helixtrans-103145.6168.4-63.30000110.2
379P36.7Very low33.6Very low131 Ų131159.1 Ų159.185%0.85182%0.824SS**PPolyproline II helixtrans-76.6131-175.130.3-34.2000112.1
380I37Very low33.5Very low167 Ų167152.6 Ų152.686%0.85682%0.82SS**PPolyproline II helixtrans-100.8121173.9-65.5173000108.9
381L36.2Very low33.4Very low172 Ų172154.7 Ų154.790%0.90183%0.825SS**PPolyproline II helixtrans-86.7153.5165.6-97.6162.6000110.8
382N30.8Very low33.3Very low156 Ų156150.1 Ų150.183%0.83482%0.815SS**PPolyproline II helixtrans-71.7161.5-160.6-99.6-34.6000116.2
383P41.8Very low33.1Very low106 Ų106154.1 Ų154.169%0.68882%0.816SS**PPolyproline II helixtrans-98.6151.1-170.137.8-35.1000114.8
384K26.8Very low32.7Very low201 Ų201154.4 Ų154.487%0.87482%0.818SS**  trans165.7122.8133.2-98.4-176.7177.1-175.40111.6
385L30Very low33Very low166 Ų166154 Ų15487%0.86982%0.816SS**  -176.1168115.8-100.6164.9000111.5
386Q31.4Very low32.4Very low173 Ų173154.3 Ų154.381%0.80882%0.816SS**  trans-90.8135.9-159.8-73162.8-68.300114.3
387D27Very low31.9Very low143 Ų143151 Ų15177%0.76581%0.807SS**  37.6106.7118.5-162.621.5000118.6
388R28.2Very low31.5Very low248 Ų248148 Ų14894%0.93680%0.801SS**  trans-164151.2136.4-116.1179.9-178.1-175.1-0114.1
389E31Very low31Very low182 Ų182149.3 Ų149.385%0.8581%0.809SS**  trans-93.7175.8-174-55.3165.9129.700113.2
390A30.7Very low30.6Very low96 Ų96148 Ų14879%0.79380%0.804SS**  trans98.2105.516000000119.7
391E29.4Very low30.2Very low188 Ų188145.1 Ų145.188%0.87980%0.798SS**  trans43.8148.7138.8-66.5-165.4140.800125.5
392E28.4Very low30.1Very low156 Ų156144.7 Ų144.773%0.72980%0.796SS**  trans-17131.1167.8-51.9-172.2146.400119.2
393H29.9Very low30.4Very low179 Ų179143 Ų14383%0.82979%0.793SS**  -172.8143.2100.4-80.6-40.8000111.3
394S26.7Very low29.6Very low115 Ų115142.3 Ų142.380%0.80480%0.797SS**  trans-86.2177.9173.2-41.70000111.1
395P43Very low29.7Very low114 Ų114141.5 Ų141.574%0.7480%0.798SS**  cis-122.9-178.2-2.933.9-12.4000112.2
396T27.3Very low29.7Very low117 Ų117142.5 Ų142.572%0.71880%0.799SS**  173.5134.781.8-54.20000109.2
397S26.7Very low29.8Very low105 Ų105141.6 Ų141.673%0.73480%0.798SS**  trans38.9152.6154-56.60000123.1
398S26.8Very low29.7Very low96 Ų96142.1 Ų142.167%0.67180%0.801SS**  cis178.4127.4-23.7-92.50000106.9
399S25.2Very low30.6Very low124 Ų124134.6 Ų134.687%0.86779%0.785SS**  trans59.1173.7160.671.30000116.3
400S27.4Very low30.4Very low104 Ų104131.7 Ų131.773%0.72778%0.779SS**  cis-141.21641.166.80000112.7
401S29.4Very low30.2Very low106 Ų106132.4 Ų132.474%0.74178%0.778SS**  trans-47.1159.316346.40000116.5
402L34.4Very low31.2Very low163 Ų163129 Ų12985%0.85377%0.772SS**  trans-53.1155.3165.1-57.3167.6000113.3
403P36.6Very low31.1Very low120 Ų120129.4 Ų129.478%0.77978%0.779SS**  -129.5145.4110.57.414.7000111.5
404A26.2Very low31Very low92 Ų92124.2 Ų124.276%0.7677%0.767SS**  83.2104.265.100000115
405M28.5Very low31.2Very low184 Ų184124.8 Ų124.891%0.90677%0.766SS**  trans40.1108.6139-165.5-171.8-51.900120.4
406E28.9Very low30.4Very low188 Ų188126.2 Ų126.288%0.87977%0.767SS**  -162.8-178.2123.6-126.1-169.6161.400113.2
407L33Very low30.5Very low154 Ų154123 Ų12381%0.80676%0.758SS**  trans-112.3139.2-156.2-66.8158.2000115
408D26.3Very low30.7Very low153 Ų153126.7 Ų126.782%0.81876%0.763SS**  trans55.6179.1147-106.8-11000119.8
409P45.9Very low30.9Very low91 Ų91127.6 Ų127.659%0.59177%0.769SS**  cis-130.8175.8-36.332.2-14.4000114.6
410T27.7Very low31Very low120 Ų120126.1 Ų126.174%0.73677%0.765SS**  trans66.6110.9152.634.40000122.9
411S27.4Very low31Very low111 Ų111126.5 Ų126.578%0.77677%0.767SS**  48.8165.7114-60.10000122.9
412P48.9Very low32Very low116 Ų116126.5 Ų126.575%0.75377%0.765SS**  cis-134.1-162.9-1333.5-11000114.3
413L27.6Very low31.7Very low166 Ų166125.1 Ų125.187%0.86975%0.754SS**  trans82.3140.6151.3-151.775.3000117.1
414A27.7Very low31.6Very low69 Ų69129.3 Ų129.357%0.5775%0.754SS**  cis163151-34.600000106.3
415T30.1Very low31.7Very low127 Ų127131.4 Ų131.478%0.77975%0.751SS**  trans60152.6169.138.30000116.2
416D26.6Very low31.7Very low145 Ų145129.3 Ų129.378%0.77574%0.744SS**  cis-152.2172-4.5-106.1-39.8000105.7
417G29.3Very low31.8Very low50 Ų50127.8 Ų127.852%0.51574%0.741SS.*  cis159166.54.500000109.6
418H31.7Very low31.6Very low181 Ų181126.9 Ų126.984%0.83874%0.736SS**  trans70.2140.8167.8-47.9-63000117.6
419S29.5Very low31.7Very low115 Ų115125.2 Ų125.280%0.80473%0.732SS**  cis-158.6-172.8-3.454.30000108.1
420A28.3Very low30.9Very low94 Ų94129 Ų12978%0.77774%0.744SS**  cis-152.2-148.311.500000111.9
421S27.9Very low30.9Very low111 Ų111130.8 Ų130.878%0.77674%0.744SS**  trans-150.1-171.1175.375.30000108.1
422P49.1Very low31Very low107 Ų107131.1 Ų131.170%0.69574%0.741SS**  cis-131.2-167.428.936.3-11.3000113
423E27.8Very low30Very low134 Ų134131.7 Ų131.763%0.62674%0.742SS**  cis-166.6126.129.3-164161.5-148.300115.8
424R35Very low30.2Very low207 Ų207132.7 Ų132.778%0.78174%0.74SS**  trans52.6157.3149.1-55.3173.4-141.3-124.27.2120.1
425I28.4Very low30.4Very low137 Ų137137 Ų13770%0.70375%0.75SS**  cis-15814416.3-2.6179.8000111.4
426N28.2Very low30.4Very low140 Ų140137.9 Ų137.975%0.74975%0.745SS**  trans49.2153.3143.4-66.4-10.7000121.9
427L31Very low30.7Very low155 Ų155140 Ų14081%0.81275%0.75SS**  cis-166.41787.5-136.576.8000105.8
428D28.4Very low30.8Very low135 Ų135140.6 Ų140.672%0.72276%0.756SS**  -167.7176.5-54.5176.653.4000110.3
429T29.3Very low31.1Very low118 Ų118141 Ų14172%0.72476%0.756SS**  trans88.3151.5156.3-80.90000121.4
430M29.1Very low31.1Very low172 Ų172141.6 Ų141.685%0.84775%0.75SS**  trans-72.2-168.8-176.8-48.8-175.4176.600113.2
431E26.8Very low31.3Very low156 Ų156143.7 Ų143.773%0.72975%0.753SS**  cis-158.9150.719.4-123-167119.700107.4
432V30.2Very low31.4Very low118 Ų118141.7 Ų141.772%0.71575%0.75SS**  58.9151.596.9-174.90000117.2
433V28.4Very low30.8Very low128 Ų128145.3 Ų145.378%0.77676%0.762SS**  trans87.2115.1177.6-169.40000114.3
434K31.4Very low31.4Very low188 Ų188148.5 Ų148.582%0.81777%0.774SS**  cis85.1102.131-168.7-154174.4-171.70115.8
435M32Very low31.1Very low160 Ų160148.5 Ų148.579%0.78878%0.78SS**  trans-173.4132.6141.9-106.8174.4151.400110.1
436E30.4Very low31.2Very low145 Ų145151.1 Ų151.168%0.67878%0.781SS**  90108.998.6-163.7179.9147.400111.4
437E33Very low31.4Very low188 Ų188148.3 Ų148.388%0.87977%0.765SS**  52.7128.490.5-165.6175-162.600113.5
438G30.6Very low31.2Very low63 Ų63149.8 Ų149.865%0.64977%0.768SS**  cis173.6167.1-8.800000111.4
439K37.8Very low31.4Very low191 Ų191150.4 Ų150.483%0.8377%0.767SS**  trans68.8129.9156.4-138.6-174.4-179.1175.10119.1
440N30.1Very low31.6Very low127 Ų127153 Ų15368%0.67978%0.776SS**  151.5132.5117.2-77.2-48.4000115.6
441V32.9Very low32Very low137 Ų137153.5 Ų153.583%0.8378%0.777SS**  trans65.5126.4148.5179.40000119.4
442G29.7Very low32.5Very low70 Ų70154.8 Ų154.872%0.72278%0.782SS**  trans-112.9173.6168.200000113
443L35.2Very low32.6Very low182 Ų182157.7 Ų157.795%0.95379%0.788SS**  trans-147.7154.2173.2-97.6166.8000110.7
444K40.4Very low32.5Very low202 Ų202155.2 Ų155.288%0.87879%0.789SS**  trans-124.2140.8-170.8176-179.9-178.51760109.9
445K30Very low32.2Very low207 Ų207150 Ų15090%0.979%0.789SS**  trans-146.2140.9171.1-144.7-167.9171-173.60115.3
446R30.7Very low32.2Very low192 Ų192152.2 Ų152.273%0.72579%0.794SS**  trans-89170.4167.4-136.1-167164.1-152.5-16.7108.4
447L31.5Very low32.7Very low80 Ų80151.1 Ų151.142%0.41980%0.799SS.*  cis-159.6164.98.6177.647.1000107.1
448E28Very low32.6Very low186 Ų186146.7 Ų146.787%0.86979%0.789SS**  178.3155.7124.6-92.9157-151.900114.5
449E31.5Very low32.6Very low149 Ų149152.2 Ų152.270%0.69680%0.798SS**  trans-120.7164.3-168-67.3159.1148.100108.9
450D33.3Very low32.1Very low171 Ų171150.6 Ų150.691%0.91479%0.793SS**  trans-144.9139.3163.4-107-26.2000108.7
451E38Very low32.4Very low184 Ų184151.6 Ų151.686%0.8680%0.797SS**  trans-133.1-177.9-178.4-79.8-159.1140.600111.8
452E37.7Very low32.6Very low182 Ų182152.2 Ų152.285%0.8580%0.802SS**  trans73.8147.9174.5-69.9-168153.200118
453E31.7Very low32.7Very low180 Ų180153.9 Ų153.984%0.84180%0.803SS**  cis-164.8154.9-23.9-172.1-170.9-175.700106.9
454G26.6Very low32.7Very low76 Ų76151.3 Ų151.378%0.78480%0.8SS**  trans157.7101.3154.700000119.8
455G25.7Very low32.6Very low79 Ų79151.8 Ų151.881%0.81480%0.796SS**  trans91.8103.7137.700000120.5
456F31Very low32.8Very low206 Ų206149.5 Ų149.590%0.90479%0.79SS**  trans-111.1155.2157.3-84.3-78.3000108.9
457P41.1Very low32.8Very low121 Ų121143.6 Ų143.679%0.78679%0.789SS**  -157.7162.483.640.8-20.2000119.8
458S32Very low33Very low95 Ų95148 Ų14866%0.66481%0.813SS**  trans72.5120.3143-166.40000121.7
459E29.3Very low33.3Very low179 Ų179144 Ų14484%0.83681%0.812SS**  -170.8126.799.2-99.2-178.2-169.300115.6
460H27.8Very low33.4Very low157 Ų157142.1 Ų142.173%0.72782%0.816SS**  trans43.4101146.5-83.9-97.7000124.9
461L36.3Very low33.3Very low148 Ų148138.9 Ų138.978%0.77581%0.812SS**  33.1128.7114.8-56.5176.1000121
462T37.8Very low33.2Very low151 Ų151136.2 Ų136.293%0.92681%0.809SS**  -156146.2112.320.80000111.8
463S31.4Very low33.2Very low105 Ų105136.5 Ų136.573%0.73481%0.81SS**  trans-109.9148.5175.3167.10000109.6
464S36.2Very low33.5Very low128 Ų128133 Ų13390%0.89581%0.806SS**  trans-146.5140.7158-85.20000112.3
465R36.8Very low33.9Very low212 Ų212134.4 Ų134.480%0.880%0.803SS**  trans-106.9163.4-156.4-175.7-164.7-178.1-154.24.4110.1
466M33.7Very low34.5Very low158 Ų158138 Ų13878%0.77880%0.799SS**  trans101.8131.5136.7-143.8149.756.100117.6
467G31.9Very low34.8Very low68 Ų68136.4 Ų136.470%0.70180%0.796SS**  trans145.748.7159.900000118.4
468N36Very low34.7Very low173 Ų173138.9 Ų138.993%0.92580%0.795SS**  trans-78.6122.6169.2-61.919.3000109.7
469A33.8Very low35Very low101 Ų101142.5 Ų142.584%0.83581%0.806SS**  trans-139.292.716800000110A471A469-A471 PolarHBondContact O-N 3.34Å
470S33.8Very low35.2Very low111 Ų111139 Ų13978%0.77680%0.801SS**  trans-82.3107.1175.247.70000110.5T472S470-T472 PolarHBondContact O-N 3.29Å
471A29.7Very low35.8Very low102 Ų102140 Ų14084%0.84381%0.811SS**  trans-88.894.4165.700000109.4A469 E473A469-A471 PolarHBondContact O-N 3.34Å; A471-E473 PolarHBondContact O-N 3.15Å
472T37.6Very low36Very low129 Ų129140.7 Ų140.779%0.79182%0.815SS**  trans-82.396.9173.648.70000110.4S470S470-T472 PolarHBondContact O-N 3.29Å
473E37.5Very low36.5Very low187 Ų187138.7 Ų138.787%0.87481%0.813SS**  trans-101.8101.3165.5-168.3169.8175.800109.4A471 S475A471-E473 PolarHBondContact O-N 3.15Å; E473-S475 PolarHBondContact O-N 3.14Å
474S37.6Very low37Very low107 Ų107141.8 Ų141.875%0.74882%0.816SS**  trans-90.594.4-178.952.60000110.6Q476S474-Q476 PolarHBondContact O-N 3.48Å; S474-Q476 VanDerWaalsContact O-N 3.15Å
475S34.2Very low37.3Very low105 Ų105139.7 Ų139.773%0.73482%0.815SS**  trans-76.899.1174-169.30000110.6E473 M477E473-S475 PolarHBondContact O-N 3.14Å; S475-M477 PolarHBondContact O-N 3.37Å
476Q38.7Very low37.1Very low156 Ų156133.7 Ų133.773%0.72981%0.805SS**  trans-77.6104.6172-78.8-176.6-28.200110.5S474 F478S474-Q476 PolarHBondContact O-N 3.48Å; S474-Q476 VanDerWaalsContact O-N 3.15Å; Q476-F478 HydrophobicContact CB-CE2 4.36Å
477M38.1Very low37.6Very low172 Ų172132 Ų13285%0.84781%0.809SS**  trans-83.8114.7166.8-67.7-170.1-70.800110.2S475S475-M477 PolarHBondContact O-N 3.37Å
478F37.8Very low38Very low173 Ų173136.2 Ų136.276%0.75982%0.815SS**  trans-79.8118.7172.2-70.5-92000110.2Q476Q476-F478 HydrophobicContact CB-CE2 4.36Å
479L38.3Very low38.1Very low171 Ų171139.8 Ų139.890%0.89582%0.815SS**  trans-88.8109.7169.4-70.8171.1000109.6
480S34.5Very low38.1Very low104 Ų104145 Ų14573%0.72782%0.815SS**  trans-81.1117169.8-58.10000110.2L482S480-L482 PolarHBondContact O-N 3.48Å
481L39.9Very low38.5Very low179 Ų179147.1 Ų147.194%0.93782%0.817SS**  trans-67.2108.1167.7-81.7140.4000109.5
482L40.6Very low38.9Very low162 Ų162146 Ų14685%0.84880%0.804SS**  trans-91.6114.2166.4-68.1177.6000109S480S480-L482 PolarHBondContact O-N 3.48Å
483A49.3Very low39.2Very low109 Ų109144.5 Ų144.590%0.90180%0.798SS**  trans-85.3106.3168.600000109
484E40.6Very low39.4Very low171 Ų171144 Ų14480%0.79980%0.798SS**  trans-115.599.3172.5-169.4174.2171.300109.9
485G41.9Very low39.9Very low83 Ų83147.6 Ų147.686%0.85680%0.803SS**  trans-95.3111.4166.700000109.7
486S32.9Very low40.7Very low86 Ų86148.5 Ų148.560%0.60180%0.803SS**  trans-113.6107.7173.449.10000110.9
487S44.2Very low40.9Very low123 Ų123148.3 Ų148.386%0.8681%0.808SS**  trans-82.2116.1168.7-178.10000108.8
488L40.2Very low41.4Very low157 Ų157144.7 Ų144.782%0.82280%0.799SS**  trans-105.3119.2174.4-69.2172.6000109.9
489R38.2Very low41.9Very low247 Ų247139.8 Ų139.893%0.93280%0.797SS**  trans-65.6129166.6-73.4-83.3-161106.63.8108.4
490Y34.3Very low42Very low212 Ų212141.5 Ų141.583%0.83179%0.793SS**  trans-83.2116.8175.3-161.7-99000109.6S492Y490-S492 WeakPolarHBondContact CE1-OG 3.07Å; Y490-S492 PolarHBondContact OH-OG 3.35Å
491D42Very low42.4Very low154 Ų154143.2 Ų143.282%0.82480%0.8SS**  trans-133.1105.4166.7-169.23.8000107.9
492S38.6Very low42.6Very low80 Ų80141 Ų14156%0.55979%0.793SS**  trans-108.8100.5-173.9-820000110.4Y490Y490-S492 WeakPolarHBondContact CE1-OG 3.07Å; Y490-S492 PolarHBondContact OH-OG 3.35Å
493S44.1Very low42.7Very low96 Ų96141.4 Ų141.467%0.67180%0.795SS**  trans-13076166.5-171.50000109.9
494M41.9Very low42.1Very low176 Ų176141.8 Ų141.887%0.86779%0.791SS**  trans-101.192.5162.5-74.4-171.567.700108.5V496M494-V496 PolarHBondContact O-N 3.36Å
495Q47.8Very low42.1Very low184 Ų184138 Ų13886%0.8679%0.789SS**  trans-74.1113167.9-66-176.6-72.200108.9
496V50.8Low41.7Very low123 Ų123137.8 Ų137.875%0.74579%0.786SS**  trans-94.499.6169-800000109M494M494-V496 PolarHBondContact O-N 3.36Å
497D43.7Very low42Very low153 Ų153140.6 Ų140.682%0.81880%0.8SS**  trans-75.9125.7162.9-170.5-0.6000108.4
498S48.6Very low41.6Very low95 Ų95139.2 Ų139.266%0.66480%0.796SS**  trans-151.469.7179.1-760000109.5Y500S498-Y500 PolarHBondContact O-N 3.39Å
499G48.1Very low41.2Very low70 Ų70137.1 Ų137.172%0.72279%0.794SS**  trans-64.394.7168.600000112.3
500Y38.8Very low41.2Very low208 Ų208133 Ų13382%0.81679%0.79SS**  trans-124.9112.3160.9-83.4-81.5000109.9S498S498-Y500 PolarHBondContact O-N 3.39Å
501T44.5Very low42Very low140 Ų140130.7 Ų130.786%0.85979%0.791SS**  trans-94.3112.6169.641.70000110
502T43Very low41.7Very low131 Ų131130.4 Ų130.480%0.80479%0.789SS**  trans-104.9116.8170.5460000110.2S504T502-S504 PolarHBondContact O-N 3.46Å
503I44Very low41.5Very low171 Ų171129.9 Ų129.988%0.87780%0.796SS**  trans-87.9103.9172.1-57.4173.6000107.2
504S37Very low41.2Very low117 Ų117132.9 Ų132.982%0.81880%0.803SS**  trans-96.2112.8173-170.70000109.7T502T502-S504 PolarHBondContact O-N 3.46Å
505A39.1Very low40.7Very low93 Ų93129.9 Ų129.977%0.76980%0.799SS**  trans-86.5113.417500000109.7
506G34.5Very low39.9Very low77 Ų77125.8 Ų125.879%0.79479%0.791SS**PPolyproline II helixtrans-75.9141.4-17900000113.3
507T38.4Very low38.9Very low146 Ų146125.7 Ų125.790%0.89679%0.786SS**PPolyproline II helixtrans-92.8121.7167.2440000109.8
508A37Very low38.3Very low93 Ų93126.9 Ų126.977%0.76979%0.785SS**PPolyproline II helixtrans-84.5126176.900000110.7
509S31.2Very low37.2Very low113 Ų113130.7 Ų130.779%0.7979%0.792SS**PPolyproline II helixtrans-85.4119.1166.2-174.50000108.8
510L38.4Very low36.1Very low161 Ų161132.7 Ų132.784%0.84380%0.795SS**  trans-109.1102.6172-70.2176.6000109
511I49.6Very low35.8Very low164 Ų164132.6 Ų132.684%0.84180%0.799SS**  trans-86.4128.1149.951154.5000107.4
512D37.3Very low35Very low148 Ų148134.4 Ų134.479%0.79180%0.797SS**  trans-139137.2162.4-163.48.7000108.8
513G34.1Very low34.3Very low68 Ų68132.9 Ų132.970%0.70179%0.792SS**  trans-130.1112.5-17400000109.3
514I38.3Very low33.6Very low160 Ų160131.8 Ų131.882%0.82179%0.786SS**  trans-125.8140.9170.453.7172.3000111.4
515S30.4Very low33.2Very low112 Ų112131.3 Ų131.378%0.78378%0.783SS**  trans-95.3176.4-178-173.10000110.9
516S31.2Very low32.7Very low99 Ų99131.5 Ų131.569%0.69278%0.779SS**  trans78.3143.2159.9-152.70000116.4
517D29.5Very low32.6Very low120 Ų120135 Ų13564%0.64278%0.779SS**  cis-169.6155.2-24-105.9-51.4000110.9
518F30.8Very low32.1Very low179 Ų179136.4 Ų136.479%0.78578%0.776SS**  trans57133.3147.3-86.4-74.8000125.8
519Q27.1Very low31.8Very low175 Ų175137.5 Ų137.582%0.81877%0.773SS**  trans109.6142131.2-87.2-161.685.600124
520S24.6Very low31.7Very low112 Ų112139.7 Ų139.778%0.78377%0.77SS**  trans76.8117.1172.868.60000116.8
521K31.3Very low31.3Very low206 Ų206140.2 Ų140.290%0.89677%0.768SS**  cis96.8132.822.3-160.8-175.4-174.7-172.70113.3
522E29.2Very low30.2Very low177 Ų177138 Ų13883%0.82776%0.762SS**  trans84.4129.6-173.598.8-170.2-170.100115.1
523S28.4Very low29.9Very low100 Ų100140.3 Ų140.370%0.69977%0.766SS**  cis107.4111.43.9820000116.8
524I28.8Very low30.3Very low148 Ų148142.6 Ų142.676%0.75977%0.768SS**  158.6126.4121.1-80.8156000113.5
525S27.6Very low30.2Very low107 Ų107140.9 Ų140.975%0.74877%0.765SS**  trans63.9152.8154.174.40000121.1
526S30.2Very low30.3Very low96 Ų96141.6 Ų141.667%0.67177%0.765SS**  cis-173.4141.6-23.851.30000110.4
527N30.7Very low30.3Very low152 Ų152148.5 Ų148.581%0.81378%0.776SS**  trans16991.3143.7-84.5-20000107.3
528Q28.1Very low30.7Very low174 Ų174150.3 Ų150.381%0.81378%0.784SS**  84.589.693.1-165.8168.8102.400111.1
529V31Very low30.7Very low117 Ų117146.8 Ų146.871%0.70978%0.782SS**  87.4138.194.2162.30000110.7
530E29.3Very low31.3Very low159 Ų159148.3 Ų148.374%0.74379%0.786SS**  cis-141.4133.717.2-135.5133.4-146.200107.5
531E29.7Very low31.8Very low171 Ų171149.8 Ų149.880%0.79979%0.79SS**  72.713997.1-126.3-162.7-17800113.8
532V27.8Very low32Very low118 Ų118148 Ų14872%0.71578%0.782SS**  cis-148.9139.226.2170.70000111.1
533F30.7Very low32.3Very low197 Ų197144.1 Ų144.186%0.86478%0.78SS**  trans-94.4-171.7167.4-84.5-80.9000110
534P42.7Very low32.4Very low115 Ų115147.6 Ų147.675%0.74778%0.783SS**  cis-143.8179.88.237.1-13.6000118.3
535V35.9Very low32.8Very low125 Ų125149.7 Ų149.776%0.75879%0.789SS**  trans-57.6155159.61710000113.3
536T30.9Very low33.2Very low127 Ų127153.4 Ų153.478%0.77979%0.794SS**  trans-145118.2149-3.20000113.2
537R33.1Very low34.1Very low244 Ų244153.9 Ų153.992%0.92180%0.795SS**  trans-124.5123.7155.5-83.2-171175.5-1770.2107.8
538L37.5Very low34.4Very low157 Ų157158.7 Ų158.782%0.82280%0.802SS**  trans-91.4120.6-176-83.5161.3000111.8
539S30.4Very low34.8Very low106 Ų106155.8 Ų155.874%0.74180%0.799SS**  trans-77.1139.5158.654.60000110.5
540K40.1Very low35.2Very low207 Ų207158.1 Ų158.190%0.981%0.807SS**  trans-119135164.4-86-173.4175.2178.10111.3
541V35.3Very low35.9Very low142 Ų142160.7 Ų160.786%0.86183%0.834SS**  trans-86.7150.2-175.8174.10000110.9
542K33.8Very low36.2Very low170 Ų170160.2 Ų160.274%0.73984%0.836SS**  trans-80.5134.5-178.8-169.4175.6-171.7175.40111.1F544K542-F544 HydrophobicContact CD-CE2 3.96Å; K542-F544 VanDerWaalsContact CE-CE2 3.49Å; K542-F544 HydrophobicContact CG-CD2 4.46Å; K542-F544 HydrophobicContact CG-CE2 4.33Å
543A36Very low36.6Very low95 Ų95162.4 Ų162.479%0.78584%0.842SS**  trans-124.2127.8169.600000110.1
544F31.2Very low37Very low172 Ų172160.4 Ų160.475%0.75484%0.841SS**  trans-96.4140.4174.6-84.4-93.2000110.3K542K542-F544 HydrophobicContact CD-CE2 3.96Å; K542-F544 VanDerWaalsContact CE-CE2 3.49Å; K542-F544 HydrophobicContact CG-CD2 4.46Å; K542-F544 HydrophobicContact CG-CE2 4.33Å
545H36.6Very low36.6Very low192 Ų192163.1 Ų163.189%0.88985%0.846SS**  trans-123.5133.4159.4-90.2-73.2000109.8
546H36.8Very low36.7Very low185 Ų185165.5 Ų165.586%0.85685%0.852SS**  trans-89.4159.3173.4-126.2-8.3000110.1
547P47.8Very low37.1Very low106 Ų106168.1 Ų168.169%0.68886%0.857SS**  trans-81.7163.5-166.635.1-36.9000113.2
548R38.3Very low37.3Very low254 Ų254162.6 Ų162.696%0.95885%0.852SS**  trans-121.6141.4158.5-83.5-172.6170.1173.6-2.3110.6
549C37.1Very low37.3Very low112 Ų112163.1 Ų163.176%0.75785%0.854SS**  trans-80160.5-178.8-57.20000112.6
550L37.4Very low37.9Very low166 Ų166167.8 Ų167.887%0.86986%0.864SS**  trans51.8112145.1-64.6162.4000118.3
551T44.6Very low37.7Very low213 Ų213164.3 Ų164.3100%1.30786%0.86SS**  -155.3089.640.40000109.8

Retrieved 551 of 551 residues in 328.3 ms (Link to these results)