A0A087YDF6_POEFO Loading...

Iroquois homeobox 3a

AlphaFold DB , UniProt , Accession A0A087YDF6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 428 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
1M41.1Very low43.6Very low246 Ų246160.6 Ų160.6100%1.21281%0.808SS**  0139.20-73-177.3141.800108.2
2S38.6Very low43.2Very low96 Ų96167 Ų16767%0.67182%0.816SS**  trans-57.5138.8-164.252.90000114.9
3F41.2Very low44.1Very low199 Ų199162.4 Ų162.487%0.87381%0.806SS**  -175.8114.9115.8-90.9-71000107.6
4P55.8Low43.7Very low128 Ų128163.4 Ų163.483%0.83181%0.813SS**  trans-91.4142.5173.133.9-28.1000111.8
5Q47.1Very low43.3Very low170 Ų170167.5 Ų167.579%0.79482%0.818SS**  trans-86.8162171.9-174.4137.7-3.800109.8
6L50Low44.2Very low155 Ų155163.4 Ų163.481%0.81281%0.808SS**  trans77.6138.2161.8-43175.1000115
7G38.5Very low44.8Very low60 Ų60160.8 Ų160.862%0.61981%0.806SS**  cis155176.51500000107.6
8Y40.9Very low44.1Very low216 Ų216162.4 Ų162.485%0.84781%0.811SS**  trans98.1108.6171.4-62.2-80000118.3Y10Y8-Y10 HydrophobicContact CD1-CD2 4.11Å; Y8-Y10 HydrophobicContact CD1-CE2 4.03Å; Y8-Y10 HydrophobicContact CE1-CE2 4.41Å
9Q43.4Very low43.5Very low162 Ų162166.8 Ų166.876%0.75782%0.817SS**  trans-100.3124.3157.5-121.5-79.744.500107
10Y40.4Very low43Very low199 Ų199168.2 Ų168.278%0.7882%0.822SS**  trans-15694.5163.7-90-75.7000111.3Y8Y8-Y10 HydrophobicContact CD1-CD2 4.11Å; Y8-Y10 HydrophobicContact CD1-CE2 4.03Å; Y8-Y10 HydrophobicContact CE1-CE2 4.41Å
11I42.2Very low42.6Very low136 Ų136163.3 Ų163.370%0.69781%0.814SS**  37.6112.3125-60.4174.2000120.6
12R39.5Very low42.3Very low237 Ų237160.2 Ų160.289%0.89480%0.801SS**  trans92.9157.4133-86.1-162.2-165.1-147.810.6124.1
13P54.5Low42.3Very low107 Ų107160.4 Ų160.470%0.69581%0.808SS**  -122.7162.1-124.443.8-31.5000115.7
14I38.5Very low41.8Very low176 Ų176154.7 Ų154.790%0.90381%0.805SS**  trans-148.9138.8159.9-52.5-179.4000109.7
15Y37.2Very low40.8Very low225 Ų225154.5 Ų154.588%0.88281%0.807SS**  trans-76.3-176.7-173.9-109.7-66.3000114.2
16P58.2Low40.2Very low102 Ų102150.3 Ų150.366%0.66280%0.802SS**  trans-99.8-166.2-138.645.9-28.5000113.1
17P54.4Low39.6Very low120 Ų120154.8 Ų154.878%0.77981%0.808SS**  -152.5172.476.135.7-12.5000117.4
18E32.2Very low39.5Very low189 Ų189156.4 Ų156.488%0.88382%0.816SS**  trans-56.2150.7172.7-80.2124.5145.900115.6
19R33.1Very low39.2Very low247 Ų247149.6 Ų149.693%0.93281%0.811SS**  trans-119123.3175.5-163.1-173.9-157.6-137.16.7110.4
20Q33.5Very low38.8Very low194 Ų194148.2 Ų148.291%0.90781%0.813SS**  trans-99.8147.1167.5-149.8120.5-1000109.7
21G34.7Very low38.6Very low65 Ų65146.3 Ų146.367%0.6781%0.812SS**  trans158.8140.3154.100000118.2
22I34.3Very low38.4Very low181 Ų181147 Ų14793%0.92882%0.816SS**  trans99.5128163.8-51.9167.7000114.3
23A38.2Very low38Very low100 Ų100141 Ų14183%0.82681%0.811SS**  cis-173.9158.4-16.500000107.6
24G31.2Very low38.4Very low79 Ų79141.3 Ų141.381%0.81481%0.813SS**  trans166.671.7167.400000119.2
25S34.3Very low38.3Very low125 Ų125139 Ų13987%0.87481%0.812SS**  trans37.6124.4140.2-126.10000124.2
26A35.9Very low38.2Very low81 Ų81131.4 Ų131.467%0.66980%0.802SS**  118.4123.2113.600000121.1
27R36.1Very low37.3Very low249 Ų249131.1 Ų131.194%0.9481%0.808SS**  trans78.7145.8148-65.5169.3174.9164.3-0.7119.4
28A36.6Very low36.5Very low95 Ų95133 Ų13379%0.78581%0.811SS**  cis178.8143.3-18.900000109
29G34.9Very low36.9Very low72 Ų72129.2 Ų129.274%0.74281%0.806SS**  trans72.2147.2154.300000118.6
30T35.3Very low37.6Very low133 Ų133125.4 Ų125.482%0.81680%0.804SS**  cis-176.7125.319.25.20000106.2
31E34.9Very low38.1Very low160 Ų160122.6 Ų122.675%0.74880%0.799SS**  80.1116.388.3-69.4-77.1152.700117.8
32L38.6Very low38.7Very low150 Ų150127.3 Ų127.379%0.78581%0.808SS**  trans88105.2140.6-53.8168.6000125.6
33S32.3Very low38.9Very low112 Ų112123.2 Ų123.278%0.78380%0.796SS**  23171.8122.2-137.20000124.4
34P62.4Low39.2Very low113 Ų113123.9 Ų123.973%0.73479%0.794SS**  -132.9-169.3-73.543.3-25.7000114.9
35S35Very low39.5Very low128 Ų128127.2 Ų127.290%0.89579%0.79SS**  trans88.7137.5167-147.40000116.2
36G36.8Very low39.9Very low65 Ų65131.9 Ų131.967%0.6779%0.791SS**  cis137.2117.39.300000110.3
37A38.5Very low39.7Very low96 Ų96132 Ų13279%0.79380%0.799SS**  trans79.3145.8164.900000117.5
38L38.5Very low40Very low158 Ų158125.8 Ų125.883%0.82779%0.794SS**  cis-159.4154.929.8-72164.4000113.1
39S40Very low40.7Very low111 Ų111126.9 Ų126.978%0.77679%0.793SS**  trans64.2114.7140.155.10000123.5
40N46.6Very low40.6Very low167 Ų167131.5 Ų131.589%0.89379%0.793SS**  trans-95.4108.2155.6-87-33.7000110.1
41V45.9Very low41.3Very low134 Ų134129.5 Ų129.581%0.81279%0.79SS**  trans-157.6105.9152-175.20000107.8
42L45.8Very low41.7Very low164 Ų164125.9 Ų125.986%0.85979%0.787SS**  trans175.6106.1143.1-95.4157.1000110.9
43S39.3Very low41.7Very low95 Ų95123.2 Ų123.266%0.66479%0.787SS**  trans38.1121.9142.9-74.50000120.3
44S45.3Very low42.1Very low114 Ų114122.2 Ų122.280%0.79779%0.786SS**  49.190.179.8-730000112.2
45M37.1Very low41.5Very low149 Ų149126.2 Ų126.273%0.73480%0.795SS**  trans-139.4-8.6160.5-83.2-53.4-60.100116.4
46Y42.1Very low42.1Very low224 Ų224122.8 Ų122.888%0.87878%0.779SS**SBendtrans-14494.5178.4-77.2-81.2000114.6
47G32.2Very low42.2Very low82 Ų82131.3 Ų131.385%0.84579%0.793SS**  73.1105.2126.600000120.7
48S41.7Very low42.8Very low120 Ų120130.6 Ų130.684%0.83980%0.795SS**  trans-86.5158.6144.3-142.80000108.2
49P50.9Low43.4Very low117 Ų117127.4 Ų127.476%0.7679%0.792SS**  -142.2164.255.431.2-7.2000113
50F34.5Very low43.9Very low170 Ų170131.8 Ų131.875%0.74680%0.797SS**  -178.9115.978.8179.6-102.4000108.4A52F50-A52 WeakPolarHBondContact CE1-O 3.37Å; F50-A52 WeakPolarHBondContact CZ-O 3.3Å
51A48.1Very low44Very low90 Ų90130.9 Ų130.974%0.74479%0.792SS**  trans-83153.7156.600000109
52A44.6Very low44.3Very low84 Ų84130 Ų13069%0.69479%0.788SS**  trans96.186.7166.700000117.7F50F50-A52 WeakPolarHBondContact CE1-O 3.37Å; F50-A52 WeakPolarHBondContact CZ-O 3.3Å
53A38Very low44.5Very low94 Ų94133.3 Ų133.378%0.77779%0.791SS**  trans-155.7126.3140.300000111.1
54A40.8Very low44.9Very low92 Ų92133.3 Ų133.376%0.7679%0.791SS**  trans68.9107.4169.500000116.4
55Q50.1Low45.2Very low197 Ų197135.3 Ų135.392%0.92179%0.793SS**  cis41.18129.3-61.7-64.5-26.300112.4
56G47.5Very low45.8Very low56 Ų56135.5 Ų135.558%0.57780%0.797SS**  trans151.8128.2167.500000112.1
57Y39.4Very low46.2Very low243 Ų243132 Ų13295%0.95379%0.792SS**SBendtrans86.254.5177.6-51.8-79.1000117.3
58G51Low47.3Very low82 Ų82133.8 Ų133.885%0.84579%0.791SS**  trans-12714.8159.200000113.9
59A50Low47.6Very low91 Ų91135.7 Ų135.775%0.75279%0.79SS**  trans-10638.6-160.100000115.3
60F50.2Low47.5Very low203 Ų203139.4 Ų139.489%0.8980%0.795SS**SBendtrans-150.657.8169.8-119.6-81.7000114.8
61L50.7Low48Very low148 Ų148138.8 Ų138.878%0.77580%0.799SS**  trans-145.3118.3150.8-72.2-179.7000109Y63L61-Y63 PolarHBondContact O-N 3.36Å; L61-Y63 VanDerWaalsContact O-N 3.16Å
62P51.4Low47.9Very low114 Ų114143 Ų14374%0.7480%0.804SS**SBendtrans-81.890.9170.831.4-27.3000107.9
63Y48.8Very low48.2Very low234 Ų234147.5 Ų147.592%0.91882%0.815SS**  trans158.958155.1-83.1-65.1000109.6L61L61-Y63 PolarHBondContact O-N 3.36Å; L61-Y63 VanDerWaalsContact O-N 3.16Å
64S48.2Very low48.4Very low95 Ų95146.3 Ų146.366%0.66481%0.812SS**  trans-13182.2165.8-78.80000108.9
65N51Low48.7Very low157 Ų157145.2 Ų145.284%0.8480%0.803SS**  trans-141.674.9165.1-97.3-16.2000107.3
66D50.3Low48.1Very low153 Ų153144.9 Ų144.982%0.81880%0.801SS**  trans-171.251.6158.7-96-45.5000110.2
67I51.7Low47.4Very low149 Ų149152 Ų15276%0.76481%0.812SS**  trans-131.981.5163.5-78104.1000107.5
68S53.9Low47Very low120 Ų120146.9 Ų146.984%0.83980%0.801SS**SBendtrans-141.12.2164.4-62.60000113.1
69I49.3Very low46.2Very low160 Ų160149.4 Ų149.482%0.82180%0.795SS**SBendtrans-90.5-13.8176.9-84164.7000112.9N71I69-N71 PolarHBondContact O-N 3.48Å
70F47.5Very low45.6Very low196 Ų196153 Ų15386%0.8679%0.794SS**THydrogen-bonded Turntrans-93.818.4-170.5-141.3-93.8000115.5
71N45.4Very low44.8Very low156 Ų156150.3 Ų150.383%0.83479%0.788SS**THydrogen-bonded Turntrans-118.819.5-177.6-149.5-6.3000114.3I69I69-N71 PolarHBondContact O-N 3.48Å
72Q46.1Very low43.9Very low178 Ų178146.8 Ų146.883%0.83279%0.787SS**SBendtrans-12124.5-176.9-149.9169.914.100114.9
73L49.9Very low43.3Very low180 Ų180150.5 Ų150.594%0.94280%0.795SS**  trans-125.216.9172.3-67.4174.1000113.6A75L73-A75 PolarHBondContact O-N 3.47Å
74G42.6Very low42.8Very low68 Ų68142.5 Ų142.570%0.70178%0.783SS**  trans-83.486.1169.800000111.5
75A48.1Very low42.7Very low69 Ų69143.9 Ų143.957%0.5779%0.787SS**  trans164.575.8144.800000112.4L73L73-A75 PolarHBondContact O-N 3.47Å
76Q36.1Very low42.2Very low191 Ų191143 Ų14389%0.89378%0.778SS**  trans-153.574.2150.5-82.2-55.8-92.800108
77Y33.3Very low41.5Very low204 Ų204142.8 Ų142.880%0.877%0.772SS**  trans-80.1128.1159.7-43.6-85.8000106.4
78D31.3Very low41.2Very low137 Ų137141.5 Ų141.573%0.73377%0.773SS**  163.9131.7116-152-129.8000112.4
79L35.3Very low40.7Very low134 Ų134139.1 Ų139.170%0.70277%0.768SS**  trans74.8119.7143.4-117.460.7000124.3
80K36.3Very low40.3Very low168 Ų168141.6 Ų141.673%0.7377%0.773SS**  105.3122.2116.6-147.9119.4179-177.70118.7
81D34.2Very low40.1Very low146 Ų146136.3 Ų136.378%0.78177%0.766SS**  trans4.1138.3148-61.9-79.3000119.9
82G31.9Very low40.5Very low73 Ų73134.6 Ų134.675%0.75376%0.763SS**  trans168.39915700000114.8
83H37.3Very low40.6Very low193 Ų193131.6 Ų131.689%0.89476%0.759SS**  trans-54.9132.4171-68.2-94.2000113.1
84G40Very low40.5Very low65 Ų65131.7 Ų131.767%0.6775%0.754SS**  trans70.3150.1132.800000119.2
85V44.4Very low40.7Very low125 Ų125133.9 Ų133.976%0.75876%0.756SS**  trans92.194.3146.8-176.10000116.3
86Q41.1Very low40.3Very low137 Ų137134 Ų13464%0.6476%0.757SS**  trans114.2114.1133.7-67.9-18.72.900122.4
87H36.2Very low40.8Very low150 Ų150133.7 Ų133.769%0.69475%0.753SS**  70.5171.6124.7-55.8-47.3000119.8
88P44.7Very low41.3Very low121 Ų121133 Ų13379%0.78675%0.75SS**  -128.6161.6-76.336.6-19.6000111.9
89G43.2Very low42.2Very low71 Ų71131.3 Ų131.373%0.73275%0.747SS**  trans87.989.2156.400000116.8
90F41.3Very low42.5Very low211 Ų211135.4 Ų135.493%0.92575%0.754SS**  trans-147.5127.1137.7-120.8-89.6000108
91A43.9Very low42.9Very low86 Ų86130 Ų13071%0.71175%0.747SS**PPolyproline II helixtrans-64137.6176.900000110.4
92P52.7Low43.1Very low120 Ų120130.8 Ų130.878%0.77975%0.745SS**PPolyproline II helixtrans-74.5135.7170.127.6-30000110.6H94P92-H94 PolarHBondContact O-N 3.21Å
93P49.3Very low43.6Very low114 Ų114137.8 Ų137.874%0.7475%0.751SS**PPolyproline II helixtrans-78.2117170.230.7-29.4000110.1
94H47.1Very low43.9Very low182 Ų182136.1 Ų136.184%0.84374%0.743SS**SBendtrans58.5157.2148.2-70.8-72.5000119.7P92P92-H94 PolarHBondContact O-N 3.21Å
95P46.7Very low44.4Very low114 Ų114143.2 Ų143.274%0.7476%0.756SS**  trans-81133.4-147.232.3-32.4000111.7F97P95-F97 VanDerWaalsContact C-N 3.33Å; P95-F97 PolarHBondContact O-N 3.06Å
96A40.9Very low44.8Very low71 Ų71140.3 Ų140.359%0.58775%0.751SS**  trans-61.4100.1162.600000108.6Y98A96-Y98 HydrophobicContact CB-CD2 3.74Å; A96-Y98 HydrophobicContact CB-CE2 3.43Å; A96-Y98 VanDerWaalsContact CB-CE2 3.43Å; A96-Y98 WeakPolarHBondContact O-CD2 3.16Å; A96-Y98 PolarHBondContact O-N 3.35Å
97F46.2Very low45Very low186 Ų186139 Ų13982%0.81675%0.749SS**  trans-53.793.2153.5179-96.3000107.1P95 P99P95-F97 VanDerWaalsContact C-N 3.33Å; P95-F97 PolarHBondContact O-N 3.06Å; F97-P99 HydrophobicContact CE1-CB 4.2Å; F97-P99 HydrophobicContact CE1-CG 4.31Å; F97-P99 WeakPolarHBondContact O-CD 3.28Å
98Y43.8Very low46.3Very low188 Ų188137.2 Ų137.274%0.73775%0.75SS**  trans-87.2110.1167.5-77.6-82.4000108.1A96 Y100A96-Y98 HydrophobicContact CB-CD2 3.74Å; A96-Y98 HydrophobicContact CB-CE2 3.43Å; A96-Y98 VanDerWaalsContact CB-CE2 3.43Å; A96-Y98 WeakPolarHBondContact O-CD2 3.16Å; A96-Y98 PolarHBondContact O-N 3.35Å; Y98-Y100 PolarHBondContact O-N 3.14Å; Y98-Y100 VanDerWaalsContact O-N 3.07Å
99P49.2Very low46.9Very low102 Ų102136.2 Ų136.266%0.66275%0.746SS**  trans-81.746.5165.335.1-34.5000110.5F97F97-P99 HydrophobicContact CE1-CB 4.2Å; F97-P99 HydrophobicContact CE1-CG 4.31Å; F97-P99 WeakPolarHBondContact O-CD 3.28Å
100Y41.7Very low47.6Very low220 Ų220141.2 Ų141.286%0.86374%0.743SS**  trans-108.998.2166.8-104.9-87000108.3Y98Y98-Y100 PolarHBondContact O-N 3.14Å; Y98-Y100 VanDerWaalsContact O-N 3.07Å
101G44.6Very low48.3Very low55 Ų55136.5 Ų136.557%0.56773%0.734SS**  trans-53.9136.3-171.100000114.4Y103G101-Y103 PolarHBondContact O-N 2.97Å
102Q39.3Very low49.4Very low162 Ų162140.4 Ų140.476%0.75774%0.735SS**  13.593.4112.8-112.7-90.8-97.200113.1Q104Q102-Q104 VanDerWaalsContact C-N 3.27Å; Q102-Q104 PolarHBondContact O-N 3.32Å
103Y43Very low50Low221 Ų221141 Ų14187%0.86773%0.731SS**  trans-65.294165.2-93.5-99.3000108.2G101 F105G101-Y103 PolarHBondContact O-N 2.97Å; Y103-F105 PolarHBondContact O-N 3.1Å
104Q44Very low51.3Low157 Ų157137.9 Ų137.973%0.73472%0.715SS**  trans-64.1109.3168-159.189.123.100107.4Q102 G106Q102-Q104 VanDerWaalsContact C-N 3.27Å; Q102-Q104 PolarHBondContact O-N 3.32Å; Q104-G106 PolarHBondContact O-N 3.43Å
105F49.8Very low53.1Low214 Ų214133.1 Ų133.194%0.93970%0.699SS**SBendtrans-47.9120.9163.3-99.4-107.2000109.4Y103Y103-F105 PolarHBondContact O-N 3.1Å
106G52.7Low55Low64 Ų64138.1 Ų138.166%0.6670%0.703SS**  trans119.439156.700000118.8Q104 P108Q104-G106 PolarHBondContact O-N 3.43Å; G106-P108 WeakPolarHBondContact O-CD 3.29Å
107D46Very low57.3Low109 Ų109142.1 Ų142.158%0.58371%0.71SS**  trans-72.9114.1158.5-172.2-10.7000109.7S109D107-S109 PolarHBondContact O-N 3.28Å; D107-S109 WeakPolarHBondContact OD1-CB 3.43Å; D107-S109 PolarHBondContact OD1-N 3.25Å
108P63.2Low59.6Low113 Ų113133.6 Ų133.673%0.73467%0.673SS**THydrogen-bonded Turntrans-70.7-8.1176.830-34.2000113.7G106G106-P108 WeakPolarHBondContact O-CD 3.29Å
109S55.9Low62Low100 Ų100125.8 Ų125.870%0.69965%0.645SS**THydrogen-bonded Turntrans-82.4-18.9-177.6-167.20000113.7D107D107-S109 PolarHBondContact O-N 3.28Å; D107-S109 WeakPolarHBondContact OD1-CB 3.43Å; D107-S109 PolarHBondContact OD1-N 3.25Å
110R59.3Low64.2Low177 Ų177124.3 Ų124.367%0.66864%0.637SS**SBendtrans-83.6129.1177-154.6175.4-163.5-85.52.1109.8K112R110-K112 PolarHBondContact O-N 3.13Å
111P55.2Low66.9Low111 Ų111116 Ų11672%0.72161%0.609SS**  trans-54.3109.5175.8-23.231.3000109.6N113P111-N113 PolarHBondContact O-N 2.93Å; P111-N113 VanDerWaalsContact O-N 3.15Å
112K67.1Low69.4Low169 Ų169113.3 Ų113.374%0.73558%0.582SS**  trans-67.8115.4178.2-65-175.2-174176.80106.9R110 A114R110-K112 PolarHBondContact O-N 3.13Å; K112-A114 PolarHBondContact O-N 2.83Å
113N65.1Low72.1Confident131 Ų131111.8 Ų111.870%0.70157%0.573SS**PPolyproline II helixtrans-52.7139.5172.3-54.378.6000108.6P111 T115P111-N113 PolarHBondContact O-N 2.93Å; P111-N113 VanDerWaalsContact O-N 3.15Å; N113-T115 PolarHBondContact O-N 3.35Å
114A76.5Confident74.6Confident49 Ų49103.7 Ų103.741%0.40555%0.552SS.*PPolyproline II helixtrans-49.9133.2178.600000110.4K112 M149K112-A114 PolarHBondContact O-N 2.83Å; A114-M149 HydrophobicContact CB-CE 4.33Å; A114-M149 HydrophobicContact CB-SD 4.16Å
115T84.6Confident77.2Confident82 Ų8297 Ų9750%0.50352%0.52SS..PPolyproline II helixtrans-64.6154.8-178.367.80000110.3N113 E117 S118 T119N113-T115 PolarHBondContact O-N 3.35Å; T115-E117 PolarHBondContact O-N 3.37Å; T115-S118 PolarHBondContact N-OG 2.89Å; T115-S118 VanDerWaalsContact N-OG 3.09Å; T115-S118 PolarHBondContact O-N 3.44Å; T115-S118 PolarHBondContact O-OG 3.42Å; T115-S118 VanDerWaalsContact OG1-CB 3.28Å; T115-S118 WeakPolarHBondContact OG1-CB 3.22Å; T115-S118 PolarHBondContact OG1-N 2.9Å; T115-S118 VanDerWaalsContact OG1-N 3.1Å; T115-S118 PolarHBondContact OG1-OG 3.46Å; T115-T119 PolarHBondContact O-N 2.97Å; T115-T119 PolarHBondContact O-OG1 3.02Å
116R87.6Confident79.4Confident220 Ų22087.5 Ų87.583%0.8348%0.479SS*.Hα-helixtrans-58.6-38.6177.2-178.4175.9176-85.71.1111.4S120R116-S120 PolarHBondContact O-N 3.16Å
117E89Confident81.3Confident155 Ų15587.7 Ų87.772%0.72447%0.47SS*.Hα-helixtrans-66.3-46.8177.1-62.3-171.8155.300111.6T115 T119 S120 T121T115-E117 PolarHBondContact O-N 3.37Å; E117-T119 VanDerWaalsContact C-N 3.28Å; E117-T119 PolarHBondContact O-N 3.36Å; E117-S120 VanDerWaalsContact O-CB 3.27Å; E117-S120 WeakPolarHBondContact O-CB 3.43Å; E117-S120 PolarHBondContact O-N 2.91Å; E117-T121 PolarHBondContact O-N 3.42Å
118S93.2Very high83.7Confident6 Ų689.8 Ų89.84%0.04248%0.476CS..Hα-helixtrans-60.1-42.7177.974.90000111.4T115 S120 T121 L122 T147T115-S118 PolarHBondContact N-OG 2.89Å; T115-S118 VanDerWaalsContact N-OG 3.09Å; T115-S118 PolarHBondContact O-N 3.44Å; T115-S118 PolarHBondContact O-OG 3.42Å; T115-S118 VanDerWaalsContact OG1-CB 3.28Å; T115-S118 WeakPolarHBondContact OG1-CB 3.22Å; T115-S118 PolarHBondContact OG1-N 2.9Å; T115-S118 VanDerWaalsContact OG1-N 3.1Å; T115-S118 PolarHBondContact OG1-OG 3.46Å; S118-S120 VanDerWaalsContact C-N 3.27Å; S118-S120 PolarHBondContact O-N 2.57Å; S118-T121 PolarHBondContact O-N 3.19Å; S118-L122 WeakPolarHBondContact O-CG 3.41Å; S118-L122 PolarHBondContact O-N 3.44Å; S118-T147 WeakPolarHBondContact CB-O 3.19Å; S118-T147 WeakPolarHBondContact O-CG2 3.48Å
119T94.1Very high85.2Confident25 Ų2587 Ų8715%0.15345%0.453CS..Hα-helixtrans-68.1-27177.4-36.40000112.4T115 E117 K123 W157T115-T119 PolarHBondContact O-N 2.97Å; T115-T119 PolarHBondContact O-OG1 3.02Å; E117-T119 VanDerWaalsContact C-N 3.28Å; E117-T119 PolarHBondContact O-N 3.36Å; T119-K123 WeakPolarHBondContact O-CB 3.27Å; T119-K123 WeakPolarHBondContact O-CG 3.29Å; T119-K123 PolarHBondContact O-N 3.26Å; T119-W157 HydrophobicContact CG2-CZ2 3.85Å
120S96.9Very high86.9Confident71 Ų7188.3 Ų88.350%0.49744%0.443SS..Hα-helixtrans-67-45.6176.8-1670000111.1R116 E117 S118 L122 K123 A124R116-S120 PolarHBondContact O-N 3.16Å; E117-S120 VanDerWaalsContact O-CB 3.27Å; E117-S120 WeakPolarHBondContact O-CB 3.43Å; E117-S120 PolarHBondContact O-N 2.91Å; S118-S120 VanDerWaalsContact C-N 3.27Å; S118-S120 PolarHBondContact O-N 2.57Å; S120-L122 PolarHBondContact O-N 3.3Å; S120-K123 PolarHBondContact O-N 3.35Å; S120-A124 WeakPolarHBondContact O-CB 3.47Å; S120-A124 PolarHBondContact O-N 3.29Å
121T97.1Very high88.3Confident44 Ų4489 Ų8927%0.2745%0.451SS..Hα-helixtrans-58.4-47.3175-53.50000111.4E117 S118 K123 A124 W125 L143 I146 T147E117-T121 PolarHBondContact O-N 3.42Å; S118-T121 PolarHBondContact O-N 3.19Å; T121-K123 VanDerWaalsContact C-N 3.3Å; T121-K123 PolarHBondContact O-N 3.43Å; T121-A124 PolarHBondContact O-N 3.04Å; T121-W125 PolarHBondContact O-N 3.23Å; T121-L143 HydrophobicContact CG2-CD2 3.97Å; T121-I146 HydrophobicContact CG2-CB 4.44Å; T121-I146 HydrophobicContact CG2-CG2 3.75Å; T121-T147 HydrophobicContact CG2-CG2 4.31Å
122L97.4Very high90Very high0 Ų088.2 Ų88.20%044%0.44CS..Hα-helixtrans-61.8-37.6178.5-62.2174.6000112.4S118 S120 L126 L143 T147 M149 V154 W157 F158S118-L122 WeakPolarHBondContact O-CG 3.41Å; S118-L122 PolarHBondContact O-N 3.44Å; S120-L122 PolarHBondContact O-N 3.3Å; L122-L126 WeakPolarHBondContact O-CB 2.99Å; L122-L126 PolarHBondContact O-N 3.47Å; L122-L126 VanDerWaalsContact O-N 3.07Å; L122-L143 HydrophobicContact CD2-CB 4.25Å; L122-L143 HydrophobicContact CD2-CD1 4.42Å; L122-L143 HydrophobicContact CD2-CD2 4.32Å; L122-T147 HydrophobicContact CD2-CG2 3.94Å; L122-T147 HydrophobicContact CG-CG2 3.9Å; L122-M149 HydrophobicContact CD1-CE 4.33Å; L122-M149 HydrophobicContact CD1-SD 3.94Å; L122-V154 HydrophobicContact CD2-CG1 4.16Å; L122-W157 HydrophobicContact CB-CD2 4.14Å; L122-W157 HydrophobicContact CB-CE3 3.89Å; L122-W157 HydrophobicContact CB-CH2 3.69Å; L122-W157 HydrophobicContact CB-CZ2 3.91Å; L122-W157 HydrophobicContact CB-CZ3 3.67Å; L122-W157 HydrophobicContact CD1-CB 4.37Å; L122-W157 HydrophobicContact CD1-CD2 3.69Å; L122-W157 HydrophobicContact CD1-CE3 4.11Å; L122-W157 HydrophobicContact CD1-CG 3.78Å; L122-W157 HydrophobicContact CG-CD2 4.48Å; L122-W157 HydrophobicContact CG-CE3 4.47Å; L122-F158 HydrophobicContact CD2-CE2 3.77Å; L122-F158 HydrophobicContact CD2-CZ 4.26Å
123K95.7Very high91.4Very high129 Ų12980.1 Ų80.156%0.56141%0.405SS*.Hα-helixtrans-69.9-39.5175.8-76.3172.4179.2179.20112.6T119 S120 T121 L126 S127 W157T119-K123 WeakPolarHBondContact O-CB 3.27Å; T119-K123 WeakPolarHBondContact O-CG 3.29Å; T119-K123 PolarHBondContact O-N 3.26Å; S120-K123 PolarHBondContact O-N 3.35Å; T121-K123 VanDerWaalsContact C-N 3.3Å; T121-K123 PolarHBondContact O-N 3.43Å; K123-L126 PolarHBondContact O-N 3.23Å; K123-S127 WeakPolarHBondContact O-CB 3.27Å; K123-S127 PolarHBondContact O-N 3Å; K123-S127 PolarHBondContact O-OG 3.31Å; K123-W157 HydrophobicContact CG-CH2 4.06Å; K123-W157 HydrophobicContact CG-CZ2 4.14Å
124A96.9Very high92.9Very high52 Ų5279.9 Ų79.943%0.4340%0.395SS..Hα-helixtrans-60.4-51.2176.900000110.2S120 T121 L126 S127 E128S120-A124 WeakPolarHBondContact O-CB 3.47Å; S120-A124 PolarHBondContact O-N 3.29Å; T121-A124 PolarHBondContact O-N 3.04Å; A124-L126 VanDerWaalsContact C-N 3.32Å; A124-L126 PolarHBondContact O-N 3.14Å; A124-S127 PolarHBondContact O-N 3.33Å; A124-S127 PolarHBondContact O-OG 3.17Å; A124-E128 PolarHBondContact O-N 2.87Å
125W97.6Very high93.9Very high16 Ų1677.9 Ų77.96%0.06138%0.379CS..Hα-helixtrans-58-44.4175.9-171.994.5000111.8T121 S127 E128 H129 P135 E139 L143 F158T121-W125 PolarHBondContact O-N 3.23Å; W125-S127 VanDerWaalsContact C-N 3.26Å; W125-S127 PolarHBondContact O-N 3.33Å; W125-E128 WeakPolarHBondContact O-CB 3.22Å; W125-E128 PolarHBondContact O-N 3.34Å; W125-H129 AromaticContact CD1-CE1 3.84Å; W125-H129 AromaticContact CD1-ND1 3.83Å; W125-H129 HydrophobicContact CD2-CB 4.38Å; W125-H129 AromaticContact CD2-ND1 3.51Å; W125-H129 AromaticContact CE2-CE1 3.53Å; W125-H129 AromaticContact CE2-CG 3.63Å; W125-H129 AromaticContact CE2-ND1 3.26Å; W125-H129 VanDerWaalsContact CE2-ND1 3.26Å; W125-H129 HydrophobicContact CE3-CB 4.01Å; W125-H129 AromaticContact CG-ND1 3.88Å; W125-H129 HydrophobicContact CH2-CB 3.52Å; W125-H129 AromaticContact CH2-CD2 3.97Å; W125-H129 AromaticContact CH2-CG 3.54Å; W125-H129 HydrophobicContact CZ2-CB 3.93Å; W125-H129 AromaticContact CZ2-CD2 3.58Å; W125-H129 AromaticContact CZ2-CE1 3.83Å; W125-H129 AromaticContact CZ2-CG 3.38Å; W125-H129 AromaticContact CZ2-ND1 3.54Å; W125-H129 AromaticContact CZ2-NE2 3.88Å; W125-H129 HydrophobicContact CZ3-CB 3.59Å; W125-H129 AromaticContact CZ3-CG 3.94Å; W125-H129 AromaticContact NE1-CE1 3.34Å; W125-H129 PolarHBondContact NE1-CE1 3Å; W125-H129 VanDerWaalsContact NE1-CE1 3.34Å; W125-H129 AromaticContact NE1-ND1 3.48Å; W125-H129 PolarHBondContact NE1-ND1 3.36Å; W125-H129 PolarHBondContact O-N 3.48Å; W125-H129 PolarHBondContact O-ND1 3.29Å; W125-P135 VanDerWaalsContact CH2-CA 3.41Å; W125-P135 HydrophobicContact CH2-CB 3.6Å; W125-P135 HydrophobicContact CH2-CG 4.15Å; W125-P135 VanDerWaalsContact CH2-N 3.34Å; W125-P135 VanDerWaalsContact CZ2-CA 3.49Å; W125-P135 HydrophobicContact CZ2-CB 3.57Å; W125-P135 HydrophobicContact CZ3-CB 4.15Å; W125-P135 HydrophobicContact CZ3-CG 4.33Å; W125-E139 WeakPolarHBondContact CZ2-OE1 3.34Å; W125-E139 PolarHBondContact NE1-OE1 2.87Å; W125-L143 HydrophobicContact CB-CD1 4.44Å; W125-L143 HydrophobicContact CB-CD2 4.14Å; W125-L143 HydrophobicContact CD2-CD1 4.17Å; W125-L143 HydrophobicContact CG-CD1 3.97Å; W125-L143 HydrophobicContact CG-CD2 4.31Å; W125-F158 HydrophobicContact CD2-CE1 4.33Å; W125-F158 HydrophobicContact CD2-CZ 4.06Å; W125-F158 HydrophobicContact CE3-CD1 4.35Å; W125-F158 AromaticContact CE3-CE1 3.28Å; W125-F158 HydrophobicContact CE3-CE1 3.28Å; W125-F158 AromaticContact CE3-CZ 3.42Å; W125-F158 HydrophobicContact CE3-CZ 3.42Å; W125-F158 VanDerWaalsContact CE3-CZ 3.42Å; W125-F158 HydrophobicContact CZ3-CD1 4.19Å; W125-F158 AromaticContact CZ3-CE1 3.52Å; W125-F158 HydrophobicContact CZ3-CE1 3.52Å; W125-F158 HydrophobicContact CZ3-CZ 4Å
126L96.1Very high94.5Very high15 Ų1577.8 Ų77.88%0.07938%0.378CS..Hα-helixtrans-62.8-32.8177.8-176.266.4000112.8L122 K123 A124 H129 R130 P133 W157 F158 A161 L165L122-L126 WeakPolarHBondContact O-CB 2.99Å; L122-L126 PolarHBondContact O-N 3.47Å; L122-L126 VanDerWaalsContact O-N 3.07Å; K123-L126 PolarHBondContact O-N 3.23Å; A124-L126 VanDerWaalsContact C-N 3.32Å; A124-L126 PolarHBondContact O-N 3.14Å; L126-H129 CarbonylContact O-C 3.53Å; L126-R130 WeakPolarHBondContact O-CD 3.49Å; L126-R130 PolarHBondContact O-N 3.39Å; L126-P133 HydrophobicContact CD1-CB 3.41Å; L126-P133 VanDerWaalsContact CD1-CB 3.41Å; L126-W157 HydrophobicContact CD2-CH2 4.22Å; L126-W157 HydrophobicContact CD2-CZ3 4.26Å; L126-F158 HydrophobicContact CB-CE1 4.24Å; L126-F158 HydrophobicContact CD1-CD1 4.35Å; L126-F158 HydrophobicContact CD1-CE1 4.19Å; L126-A161 HydrophobicContact CD2-CB 3.96Å; L126-L165 HydrophobicContact CD2-CD1 3.85Å; L126-L165 HydrophobicContact CD2-CD2 4.38Å
127S93.6Very high95Very high68 Ų6873 Ų7348%0.47636%0.363SS..Hα-helixtrans-74.8-29.3177.372.60000113.4K123 A124 W125 R130K123-S127 WeakPolarHBondContact O-CB 3.27Å; K123-S127 PolarHBondContact O-N 3Å; K123-S127 PolarHBondContact O-OG 3.31Å; A124-S127 PolarHBondContact O-N 3.33Å; A124-S127 PolarHBondContact O-OG 3.17Å; W125-S127 VanDerWaalsContact C-N 3.26Å; W125-S127 PolarHBondContact O-N 3.33Å; S127-R130 WeakPolarHBondContact O-CG 3.41Å
128E96.3Very high95.4Very high153 Ų15367.9 Ų67.972%0.71535%0.352SS*.Hα-helixtrans-73.9-42.4172-173.7165.4-149.900110.5A124 W125 R130A124-E128 PolarHBondContact O-N 2.87Å; W125-E128 WeakPolarHBondContact O-CB 3.22Å; W125-E128 PolarHBondContact O-N 3.34Å; E128-R130 VanDerWaalsContact C-N 3.35Å; E128-R130 PolarHBondContact O-N 3.02Å
129H94.4Very high95.6Very high55 Ų5569.4 Ų69.426%0.25536%0.359SS..THydrogen-bonded Turntrans-95.942.5-177.1-62.279.2000113.1W125 L126 K131 N132 P133 E139W125-H129 AromaticContact CD1-CE1 3.84Å; W125-H129 AromaticContact CD1-ND1 3.83Å; W125-H129 HydrophobicContact CD2-CB 4.38Å; W125-H129 AromaticContact CD2-ND1 3.51Å; W125-H129 AromaticContact CE2-CE1 3.53Å; W125-H129 AromaticContact CE2-CG 3.63Å; W125-H129 AromaticContact CE2-ND1 3.26Å; W125-H129 VanDerWaalsContact CE2-ND1 3.26Å; W125-H129 HydrophobicContact CE3-CB 4.01Å; W125-H129 AromaticContact CG-ND1 3.88Å; W125-H129 HydrophobicContact CH2-CB 3.52Å; W125-H129 AromaticContact CH2-CD2 3.97Å; W125-H129 AromaticContact CH2-CG 3.54Å; W125-H129 HydrophobicContact CZ2-CB 3.93Å; W125-H129 AromaticContact CZ2-CD2 3.58Å; W125-H129 AromaticContact CZ2-CE1 3.83Å; W125-H129 AromaticContact CZ2-CG 3.38Å; W125-H129 AromaticContact CZ2-ND1 3.54Å; W125-H129 AromaticContact CZ2-NE2 3.88Å; W125-H129 HydrophobicContact CZ3-CB 3.59Å; W125-H129 AromaticContact CZ3-CG 3.94Å; W125-H129 AromaticContact NE1-CE1 3.34Å; W125-H129 PolarHBondContact NE1-CE1 3Å; W125-H129 VanDerWaalsContact NE1-CE1 3.34Å; W125-H129 AromaticContact NE1-ND1 3.48Å; W125-H129 PolarHBondContact NE1-ND1 3.36Å; W125-H129 PolarHBondContact O-N 3.48Å; W125-H129 PolarHBondContact O-ND1 3.29Å; L126-H129 CarbonylContact O-C 3.53Å; H129-K131 VanDerWaalsContact C-N 3.26Å; H129-K131 PolarHBondContact O-N 3.26Å; H129-N132 CarbonylContact O-C 3.27Å; H129-N132 VanDerWaalsContact O-C 3.27Å; H129-N132 PolarHBondContact O-N 3.05Å; H129-P133 VanDerWaalsContact O-CA 3.31Å; H129-P133 WeakPolarHBondContact O-CA 3.44Å; H129-P133 WeakPolarHBondContact O-CB 3.28Å; H129-P133 VanDerWaalsContact O-N 3.08Å; H129-E139 IonicContact CE1-OE1 3.74Å; H129-E139 IonicContact NE2-OE1 3.49Å; H129-E139 PolarHBondContact NE2-OE1 2.87Å
130R91.8Very high95.8Very high127 Ų12771.4 Ų71.448%0.47937%0.365SS..SBendtrans-65.3-26.1-178.5-73.9-70.6-164.5106.112.7114.1L126 S127 E128 M171L126-R130 WeakPolarHBondContact O-CD 3.49Å; L126-R130 PolarHBondContact O-N 3.39Å; S127-R130 WeakPolarHBondContact O-CG 3.41Å; E128-R130 VanDerWaalsContact C-N 3.35Å; E128-R130 PolarHBondContact O-N 3.02Å; R130-M171 WeakPolarHBondContact O-CE 3.48Å
131K88.9Confident95.9Very high190 Ų19072 Ų7283%0.82636%0.362SS*.SBendtrans-82.1-31.7179-63.8-179.3-177.4176.50112.3H129 W173H129-K131 VanDerWaalsContact C-N 3.26Å; H129-K131 PolarHBondContact O-N 3.26Å; K131-W173 WeakPolarHBondContact O-CH2 2.84Å; K131-W173 WeakPolarHBondContact O-CZ3 3.13Å
132N91.1Very high95.9Very high95 Ų9574.5 Ų74.551%0.50837%0.372SS..  trans-145.578.7-180-167.122.7000110.8H129 Y134H129-N132 CarbonylContact O-C 3.27Å; H129-N132 VanDerWaalsContact O-C 3.27Å; H129-N132 PolarHBondContact O-N 3.05Å; N132-Y134 PolarHBondContact O-N 2.91Å; N132-Y134 WeakPolarHBondContact OD1-CD2 3.5Å
133P95.1Very high95.9Very high0 Ų074.7 Ų74.70%037%0.373CS..  trans-78.544.5-175.637.1-39.4000112.2L126 H129 P135 R162 M171 W173L126-P133 HydrophobicContact CD1-CB 3.41Å; L126-P133 VanDerWaalsContact CD1-CB 3.41Å; H129-P133 VanDerWaalsContact O-CA 3.31Å; H129-P133 WeakPolarHBondContact O-CA 3.44Å; H129-P133 WeakPolarHBondContact O-CB 3.28Å; H129-P133 VanDerWaalsContact O-N 3.08Å; P133-P135 WeakPolarHBondContact O-CD 3.4Å; P133-R162 HydrophobicContact CB-CG 4.11Å; P133-R162 HydrophobicContact CG-CG 3.72Å; P133-R162 WeakPolarHBondContact O-CD 3.42Å; P133-R162 PolarHBondContact O-NH1 3.09Å; P133-M171 HydrophobicContact CB-CE 4.38Å; P133-M171 VanDerWaalsContact CD-CE 3.47Å; P133-M171 HydrophobicContact CG-CE 3.42Å; P133-M171 VanDerWaalsContact CG-CE 3.42Å; P133-W173 HydrophobicContact CG-CH2 4.3Å; P133-W173 HydrophobicContact CG-CZ2 3.67Å
134Y97.3Very high96Very high125 Ų12569.3 Ų69.349%0.4935%0.352SS..  trans-114.493.5176.7-70.5-96.8000107.4N132 T136 W173N132-Y134 PolarHBondContact O-N 2.91Å; N132-Y134 WeakPolarHBondContact OD1-CD2 3.5Å; Y134-T136 PolarHBondContact O-N 3.1Å; Y134-W173 HydrophobicContact CD2-CH2 4.3Å; Y134-W173 AromaticContact CE2-CH2 3.9Å; Y134-W173 HydrophobicContact CE2-CH2 3.9Å; Y134-W173 AromaticContact CE2-CZ2 3.94Å; Y134-W173 HydrophobicContact CE2-CZ2 3.94Å
135P96.9Very high96Very high8 Ų872.7 Ų72.75%0.05236%0.362CS..  trans-64.3137-179.524.1-31.9000110W125 P133 E139 K140 F158W125-P135 VanDerWaalsContact CH2-CA 3.41Å; W125-P135 HydrophobicContact CH2-CB 3.6Å; W125-P135 HydrophobicContact CH2-CG 4.15Å; W125-P135 VanDerWaalsContact CH2-N 3.34Å; W125-P135 VanDerWaalsContact CZ2-CA 3.49Å; W125-P135 HydrophobicContact CZ2-CB 3.57Å; W125-P135 HydrophobicContact CZ3-CB 4.15Å; W125-P135 HydrophobicContact CZ3-CG 4.33Å; P133-P135 WeakPolarHBondContact O-CD 3.4Å; P135-E139 WeakPolarHBondContact CA-OE2 3.49Å; P135-E139 HydrophobicContact CB-CB 4.02Å; P135-K140 HydrophobicContact CB-CG 3.88Å; P135-K140 HydrophobicContact CG-CG 3.77Å; P135-K140 WeakPolarHBondContact O-CE 3.17Å; P135-F158 HydrophobicContact CG-CD1 4.35Å; P135-F158 HydrophobicContact CG-CD2 3.89Å; P135-F158 HydrophobicContact CG-CE2 4.12Å; P135-F158 HydrophobicContact CG-CG 4.02Å; P135-F158 HydrophobicContact CG-CZ 4.46Å
136T98.1Very high96Very high80 Ų8076.4 Ų76.449%0.49138%0.382SS..  trans-63.2169.9173.461.50000111.1Y134 G138 E139 K140Y134-T136 PolarHBondContact O-N 3.1Å; T136-G138 VanDerWaalsContact C-N 3.33Å; T136-G138 PolarHBondContact O-N 3.31Å; T136-E139 WeakPolarHBondContact CB-OE2 3.4Å; T136-E139 WeakPolarHBondContact CG2-OE2 3.3Å; T136-E139 PolarHBondContact N-OE2 3.3Å; T136-E139 PolarHBondContact O-N 2.8Å; T136-E139 WeakPolarHBondContact OG1-CB 3.47Å; T136-E139 WeakPolarHBondContact OG1-CG 3.35Å; T136-E139 PolarHBondContact OG1-N 2.79Å; T136-E139 PolarHBondContact OG1-OE2 3.01Å; T136-K140 WeakPolarHBondContact O-CG 3.34Å; T136-K140 PolarHBondContact O-N 3.45Å
137K97.3Very high96Very high119 Ų11976.2 Ų76.252%0.51738%0.381SS..Hα-helixtrans-56.4-47.5177.4-170.7176.3-179.5-178.70111.2K140 I141 I204K137-K140 PolarHBondContact O-N 3.27Å; K137-I141 WeakPolarHBondContact O-CG1 3.18Å; K137-I141 PolarHBondContact O-N 2.75Å; K137-I204 VanDerWaalsContact CE-CD1 3.47Å; K137-I204 VanDerWaalsContact NZ-CD1 3.27Å
138G98Very high96.2Very high48 Ų4882.3 Ų82.350%0.49540%0.399SS..Hα-helixtrans-63.6-44.117800000113.2T136 K140 I141 M142T136-G138 VanDerWaalsContact C-N 3.33Å; T136-G138 PolarHBondContact O-N 3.31Å; G138-K140 VanDerWaalsContact C-N 3.35Å; G138-K140 PolarHBondContact O-N 3.21Å; G138-I141 PolarHBondContact O-N 2.88Å; G138-M142 PolarHBondContact O-N 3.36Å
139E98Very high96.1Very high38 Ų3876.1 Ų76.118%0.17837%0.371CS..Hα-helixtrans-65.2-37.6178.9-70.5171.6119.900112.6W125 H129 P135 T136 I141 M142 L143W125-E139 WeakPolarHBondContact CZ2-OE1 3.34Å; W125-E139 PolarHBondContact NE1-OE1 2.87Å; H129-E139 IonicContact CE1-OE1 3.74Å; H129-E139 IonicContact NE2-OE1 3.49Å; H129-E139 PolarHBondContact NE2-OE1 2.87Å; P135-E139 WeakPolarHBondContact CA-OE2 3.49Å; P135-E139 HydrophobicContact CB-CB 4.02Å; T136-E139 WeakPolarHBondContact CB-OE2 3.4Å; T136-E139 WeakPolarHBondContact CG2-OE2 3.3Å; T136-E139 PolarHBondContact N-OE2 3.3Å; T136-E139 PolarHBondContact O-N 2.8Å; T136-E139 WeakPolarHBondContact OG1-CB 3.47Å; T136-E139 WeakPolarHBondContact OG1-CG 3.35Å; T136-E139 PolarHBondContact OG1-N 2.79Å; T136-E139 PolarHBondContact OG1-OE2 3.01Å; E139-I141 VanDerWaalsContact C-N 3.3Å; E139-I141 PolarHBondContact O-N 3.49Å; E139-M142 PolarHBondContact O-N 3.02Å; E139-L143 VanDerWaalsContact O-CB 3.28Å; E139-L143 WeakPolarHBondContact O-CB 3.45Å; E139-L143 WeakPolarHBondContact O-CG 3.21Å; E139-L143 PolarHBondContact O-N 3.29Å
140K97.8Very high96.2Very high66 Ų6677.2 Ų77.229%0.28738%0.381SS..Hα-helixtrans-63.1-38.7175.3-70.9174.1-177.7158.30111.8P135 T136 K137 G138 A144 L151P135-K140 HydrophobicContact CB-CG 3.88Å; P135-K140 HydrophobicContact CG-CG 3.77Å; P135-K140 WeakPolarHBondContact O-CE 3.17Å; T136-K140 WeakPolarHBondContact O-CG 3.34Å; T136-K140 PolarHBondContact O-N 3.45Å; K137-K140 PolarHBondContact O-N 3.27Å; G138-K140 VanDerWaalsContact C-N 3.35Å; G138-K140 PolarHBondContact O-N 3.21Å; K140-A144 VanDerWaalsContact O-CB 3.27Å; K140-A144 WeakPolarHBondContact O-CB 3.09Å; K140-A144 PolarHBondContact O-N 2.85Å; K140-L151 HydrophobicContact CB-CD1 3.47Å; K140-L151 VanDerWaalsContact CB-CD1 3.47Å; K140-L151 HydrophobicContact CD-CD1 4.37Å; K140-L151 HydrophobicContact CG-CD1 4.47Å
141I97.8Very high96.4Very high85 Ų8575.4 Ų75.444%0.43638%0.381SS..Hα-helixtrans-65.4-50.1175.3-65.6167.3000109.8K137 G138 E139 L143 A144 I145K137-I141 WeakPolarHBondContact O-CG1 3.18Å; K137-I141 PolarHBondContact O-N 2.75Å; G138-I141 PolarHBondContact O-N 2.88Å; E139-I141 VanDerWaalsContact C-N 3.3Å; E139-I141 PolarHBondContact O-N 3.49Å; I141-L143 VanDerWaalsContact C-N 3.31Å; I141-L143 PolarHBondContact O-N 2.86Å; I141-A144 WeakPolarHBondContact O-CB 3.43Å; I141-A144 PolarHBondContact O-N 3.2Å; I141-A144 VanDerWaalsContact O-N 3.13Å; I141-I145 HydrophobicContact CG2-CD1 3.89Å; I141-I145 WeakPolarHBondContact O-CG1 3.34Å; I141-I145 PolarHBondContact O-N 3.45Å
142M98.2Very high96.8Very high96 Ų9671.2 Ų71.247%0.47337%0.371SS..Hα-helixtrans-57.2-45.3178-175.5178.667.100111.6G138 E139 I145 I146G138-M142 PolarHBondContact O-N 3.36Å; E139-M142 PolarHBondContact O-N 3.02Å; M142-I145 PolarHBondContact O-N 3.49Å; M142-I146 HydrophobicContact CG-CD1 3.84Å; M142-I146 VanDerWaalsContact O-CG1 3.3Å; M142-I146 WeakPolarHBondContact O-CG1 3.22Å; M142-I146 PolarHBondContact O-N 2.93Å
143L98.1Very high97.1Very high4 Ų471.1 Ų71.12%0.02137%0.368CS..Hα-helixtrans-64.4-41.8176.9-70.7170.1000111.5T121 L122 W125 E139 I141 I145 I146 T147 V154 F158T121-L143 HydrophobicContact CG2-CD2 3.97Å; L122-L143 HydrophobicContact CD2-CB 4.25Å; L122-L143 HydrophobicContact CD2-CD1 4.42Å; L122-L143 HydrophobicContact CD2-CD2 4.32Å; W125-L143 HydrophobicContact CB-CD1 4.44Å; W125-L143 HydrophobicContact CB-CD2 4.14Å; W125-L143 HydrophobicContact CD2-CD1 4.17Å; W125-L143 HydrophobicContact CG-CD1 3.97Å; W125-L143 HydrophobicContact CG-CD2 4.31Å; E139-L143 VanDerWaalsContact O-CB 3.28Å; E139-L143 WeakPolarHBondContact O-CB 3.45Å; E139-L143 WeakPolarHBondContact O-CG 3.21Å; E139-L143 PolarHBondContact O-N 3.29Å; I141-L143 VanDerWaalsContact C-N 3.31Å; I141-L143 PolarHBondContact O-N 2.86Å; L143-I145 VanDerWaalsContact C-N 3.34Å; L143-I145 PolarHBondContact O-N 3.03Å; L143-I146 PolarHBondContact O-N 3.22Å; L143-T147 VanDerWaalsContact O-CB 3.22Å; L143-T147 WeakPolarHBondContact O-CB 3.41Å; L143-T147 VanDerWaalsContact O-CG2 3.22Å; L143-T147 WeakPolarHBondContact O-CG2 3.31Å; L143-T147 PolarHBondContact O-N 3.36Å; L143-T147 PolarHBondContact O-OG1 3.16Å; L143-V154 HydrophobicContact CB-CG1 4.1Å; L143-F158 HydrophobicContact CD1-CE2 3.64Å; L143-F158 HydrophobicContact CD1-CZ 3.83Å
144A97.4Very high97.2Very high15 Ų1571.1 Ų71.112%0.12437%0.368CS..Hα-helixtrans-59-44.6176.300000111.8K140 I141 K148 M149 V154K140-A144 VanDerWaalsContact O-CB 3.27Å; K140-A144 WeakPolarHBondContact O-CB 3.09Å; K140-A144 PolarHBondContact O-N 2.85Å; I141-A144 WeakPolarHBondContact O-CB 3.43Å; I141-A144 PolarHBondContact O-N 3.2Å; I141-A144 VanDerWaalsContact O-N 3.13Å; A144-K148 VanDerWaalsContact O-CA 3.29Å; A144-K148 WeakPolarHBondContact O-CA 3.42Å; A144-K148 PolarHBondContact O-N 3.02Å; A144-M149 WeakPolarHBondContact CA-O 3.49Å; A144-M149 VanDerWaalsContact CB-O 3.29Å; A144-M149 WeakPolarHBondContact CB-O 3.49Å; A144-M149 PolarHBondContact O-N 2.66Å; A144-M149 VanDerWaalsContact O-N 3.16Å; A144-V154 HydrophobicContact CB-CG2 4.11Å
145I97.3Very high97.2Very high123 Ų12367.7 Ų67.763%0.63136%0.362SS*.Hα-helixtrans-62-52.7177.1-65.8166.4000110.8I141 M142 L143 T147 K148I141-I145 HydrophobicContact CG2-CD1 3.89Å; I141-I145 WeakPolarHBondContact O-CG1 3.34Å; I141-I145 PolarHBondContact O-N 3.45Å; M142-I145 PolarHBondContact O-N 3.49Å; L143-I145 VanDerWaalsContact C-N 3.34Å; L143-I145 PolarHBondContact O-N 3.03Å; I145-T147 PolarHBondContact O-N 3.05Å; I145-K148 PolarHBondContact O-N 3.34Å
146I96.8Very high97.2Very high95 Ų9571.3 Ų71.349%0.48738%0.384SS..Hα-helixtrans-64.1-42.4-176.8-64.4166.4000111.3T121 M142 L143 K148T121-I146 HydrophobicContact CG2-CB 4.44Å; T121-I146 HydrophobicContact CG2-CG2 3.75Å; M142-I146 HydrophobicContact CG-CD1 3.84Å; M142-I146 VanDerWaalsContact O-CG1 3.3Å; M142-I146 WeakPolarHBondContact O-CG1 3.22Å; M142-I146 PolarHBondContact O-N 2.93Å; L143-I146 PolarHBondContact O-N 3.22Å; I146-K148 VanDerWaalsContact C-N 3.31Å
147T96.9Very high97.2Very high10 Ų1070 Ų706%0.06137%0.37CS..Hα-helixtrans-82.5-11.7-176.561.20000113.4S118 T121 L122 L143 I145 M149S118-T147 WeakPolarHBondContact CB-O 3.19Å; S118-T147 WeakPolarHBondContact O-CG2 3.48Å; T121-T147 HydrophobicContact CG2-CG2 4.31Å; L122-T147 HydrophobicContact CD2-CG2 3.94Å; L122-T147 HydrophobicContact CG-CG2 3.9Å; L143-T147 VanDerWaalsContact O-CB 3.22Å; L143-T147 WeakPolarHBondContact O-CB 3.41Å; L143-T147 VanDerWaalsContact O-CG2 3.22Å; L143-T147 WeakPolarHBondContact O-CG2 3.31Å; L143-T147 PolarHBondContact O-N 3.36Å; L143-T147 PolarHBondContact O-OG1 3.16Å; I145-T147 PolarHBondContact O-N 3.05Å; T147-M149 PolarHBondContact O-N 3.17Å; T147-M149 WeakPolarHBondContact OG1-CB 3.33Å
148K96.1Very high97.2Very high196 Ų19664.4 Ų64.485%0.85235%0.345SS*.THydrogen-bonded Turntrans53.734.7-171.2-55.3179.4-179.7174.80112.2A144 I145 I146A144-K148 VanDerWaalsContact O-CA 3.29Å; A144-K148 WeakPolarHBondContact O-CA 3.42Å; A144-K148 PolarHBondContact O-N 3.02Å; I145-K148 PolarHBondContact O-N 3.34Å; I146-K148 VanDerWaalsContact C-N 3.31Å
149M94.6Very high97.1Very high24 Ų2463.1 Ų63.112%0.11833%0.33CS..  trans-105.6151.4176.4-67.8174.961.100108.8A114 L122 A144 T147 Q153 V154A114-M149 HydrophobicContact CB-CE 4.33Å; A114-M149 HydrophobicContact CB-SD 4.16Å; L122-M149 HydrophobicContact CD1-CE 4.33Å; L122-M149 HydrophobicContact CD1-SD 3.94Å; A144-M149 WeakPolarHBondContact CA-O 3.49Å; A144-M149 VanDerWaalsContact CB-O 3.29Å; A144-M149 WeakPolarHBondContact CB-O 3.49Å; A144-M149 PolarHBondContact O-N 2.66Å; A144-M149 VanDerWaalsContact O-N 3.16Å; T147-M149 PolarHBondContact O-N 3.17Å; T147-M149 WeakPolarHBondContact OG1-CB 3.33Å; M149-Q153 HydrophobicContact CB-CB 4.1Å; M149-Q153 HydrophobicContact CE-CB 3.65Å; M149-V154 HydrophobicContact CB-CG2 3.89Å
150T97.1Very high97Very high78 Ų7864.4 Ų64.448%0.47934%0.338SS..  trans-67.2153.7172.570.90000110.1T152 Q153 V154T150-T152 PolarHBondContact O-N 3.07Å; T150-T152 VanDerWaalsContact O-N 3.16Å; T150-Q153 WeakPolarHBondContact O-CA 3.34Å; T150-Q153 WeakPolarHBondContact O-CB 3.29Å; T150-Q153 PolarHBondContact O-N 3.26Å; T150-Q153 VanDerWaalsContact OG1-CG 3.3Å; T150-Q153 WeakPolarHBondContact OG1-CG 3.3Å; T150-Q153 PolarHBondContact OG1-N 3.19Å; T150-V154 PolarHBondContact O-N 2.92Å
151L96.7Very high96.9Very high89 Ų8961.8 Ų61.847%0.46633%0.329SS..Hα-helixtrans-52.2-40.4176.7-175.861.7000111.8K140 Q153 V154 S155K140-L151 HydrophobicContact CB-CD1 3.47Å; K140-L151 VanDerWaalsContact CB-CD1 3.47Å; K140-L151 HydrophobicContact CD-CD1 4.37Å; K140-L151 HydrophobicContact CG-CD1 4.47Å; L151-Q153 PolarHBondContact O-N 3.31Å; L151-V154 PolarHBondContact O-N 3.45Å; L151-S155 WeakPolarHBondContact O-CB 3.46Å; L151-S155 PolarHBondContact O-N 2.91Å
152T96.8Very high96.8Very high102 Ų10260.2 Ų60.263%0.62632%0.317SS*.Hα-helixtrans-61.4-42.2175.7-510000112.4T150 S155 T156T150-T152 PolarHBondContact O-N 3.07Å; T150-T152 VanDerWaalsContact O-N 3.16Å; T152-S155 PolarHBondContact O-N 3.03Å; T152-T156 VanDerWaalsContact O-CB 3.3Å; T152-T156 WeakPolarHBondContact O-CB 3.32Å; T152-T156 PolarHBondContact O-N 2.83Å; T152-T156 PolarHBondContact O-OG1 3.15Å
153Q96.9Very high96.5Very high93 Ų9363.5 Ų63.544%0.43532%0.324SS..Hα-helixtrans-66.2-43.4177.3-72.2170.9-25.300111.4M149 T150 L151 T156 W157M149-Q153 HydrophobicContact CB-CB 4.1Å; M149-Q153 HydrophobicContact CE-CB 3.65Å; T150-Q153 WeakPolarHBondContact O-CA 3.34Å; T150-Q153 WeakPolarHBondContact O-CB 3.29Å; T150-Q153 PolarHBondContact O-N 3.26Å; T150-Q153 VanDerWaalsContact OG1-CG 3.3Å; T150-Q153 WeakPolarHBondContact OG1-CG 3.3Å; T150-Q153 PolarHBondContact OG1-N 3.19Å; L151-Q153 PolarHBondContact O-N 3.31Å; Q153-T156 PolarHBondContact O-N 3.48Å; Q153-W157 VanDerWaalsContact O-CB 3.29Å; Q153-W157 WeakPolarHBondContact O-CB 3.2Å; Q153-W157 PolarHBondContact O-N 3.35Å
154V97.4Very high96.2Very high0 Ų070.9 Ų70.90%035%0.352CS..Hα-helixtrans-61-48.4174.9177.40000110.4L122 L143 A144 M149 T150 L151 T156 W157 F158L122-V154 HydrophobicContact CD2-CG1 4.16Å; L143-V154 HydrophobicContact CB-CG1 4.1Å; A144-V154 HydrophobicContact CB-CG2 4.11Å; M149-V154 HydrophobicContact CB-CG2 3.89Å; T150-V154 PolarHBondContact O-N 2.92Å; L151-V154 PolarHBondContact O-N 3.45Å; V154-T156 PolarHBondContact O-N 3.35Å; V154-W157 WeakPolarHBondContact O-CB 2.87Å; V154-W157 PolarHBondContact O-N 3.07Å; V154-F158 HydrophobicContact CG1-CD2 3.86Å; V154-F158 HydrophobicContact CG1-CE2 3.85Å; V154-F158 WeakPolarHBondContact O-CD2 2.87Å; V154-F158 PolarHBondContact O-N 3.43Å
155S97.4Very high95.7Very high53 Ų5370.9 Ų70.937%0.37135%0.35SS..Hα-helixtrans-57.6-48.1177.8-177.10000112.2L151 T152 W157 F158 A159L151-S155 WeakPolarHBondContact O-CB 3.46Å; L151-S155 PolarHBondContact O-N 2.91Å; T152-S155 PolarHBondContact O-N 3.03Å; S155-W157 VanDerWaalsContact C-N 3.32Å; S155-W157 PolarHBondContact O-N 2.83Å; S155-F158 PolarHBondContact O-N 3.2Å; S155-A159 PolarHBondContact O-N 3.33Å
156T97.3Very high95Very high83 Ų8373 Ų7351%0.50936%0.355SS..Hα-helixtrans-63-40.7178.4-58.60000111.4T152 Q153 V154 A159 N160T152-T156 VanDerWaalsContact O-CB 3.3Å; T152-T156 WeakPolarHBondContact O-CB 3.32Å; T152-T156 PolarHBondContact O-N 2.83Å; T152-T156 PolarHBondContact O-OG1 3.15Å; Q153-T156 PolarHBondContact O-N 3.48Å; V154-T156 PolarHBondContact O-N 3.35Å; T156-A159 PolarHBondContact O-N 3.42Å; T156-N160 PolarHBondContact O-N 2.89Å
157W97.1Very high94.2Very high52 Ų5277.7 Ų77.720%0.19737%0.371CS..Hα-helixtrans-60.9-48.4178-169.899.7000111.1T119 L122 K123 L126 Q153 V154 S155 A159 N160 A161T119-W157 HydrophobicContact CG2-CZ2 3.85Å; L122-W157 HydrophobicContact CB-CD2 4.14Å; L122-W157 HydrophobicContact CB-CE3 3.89Å; L122-W157 HydrophobicContact CB-CH2 3.69Å; L122-W157 HydrophobicContact CB-CZ2 3.91Å; L122-W157 HydrophobicContact CB-CZ3 3.67Å; L122-W157 HydrophobicContact CD1-CB 4.37Å; L122-W157 HydrophobicContact CD1-CD2 3.69Å; L122-W157 HydrophobicContact CD1-CE3 4.11Å; L122-W157 HydrophobicContact CD1-CG 3.78Å; L122-W157 HydrophobicContact CG-CD2 4.48Å; L122-W157 HydrophobicContact CG-CE3 4.47Å; K123-W157 HydrophobicContact CG-CH2 4.06Å; K123-W157 HydrophobicContact CG-CZ2 4.14Å; L126-W157 HydrophobicContact CD2-CH2 4.22Å; L126-W157 HydrophobicContact CD2-CZ3 4.26Å; Q153-W157 VanDerWaalsContact O-CB 3.29Å; Q153-W157 WeakPolarHBondContact O-CB 3.2Å; Q153-W157 PolarHBondContact O-N 3.35Å; V154-W157 WeakPolarHBondContact O-CB 2.87Å; V154-W157 PolarHBondContact O-N 3.07Å; S155-W157 VanDerWaalsContact C-N 3.32Å; S155-W157 PolarHBondContact O-N 2.83Å; W157-A159 PolarHBondContact O-N 3.02Å; W157-N160 PolarHBondContact O-N 2.99Å; W157-A161 HydrophobicContact CE3-CB 4.01Å; W157-A161 HydrophobicContact CH2-CB 4.18Å; W157-A161 HydrophobicContact CZ3-CB 3.77Å; W157-A161 WeakPolarHBondContact O-CB 3.17Å; W157-A161 PolarHBondContact O-N 2.92Å
158F97.3Very high93Very high2 Ų281.4 Ų81.41%0.00939%0.388CS..Hα-helixtrans-64.7-38.2177.5-85.6-74.2000112.9L122 W125 L126 P135 L143 V154 S155 N160 A161 R162L122-F158 HydrophobicContact CD2-CE2 3.77Å; L122-F158 HydrophobicContact CD2-CZ 4.26Å; W125-F158 HydrophobicContact CD2-CE1 4.33Å; W125-F158 HydrophobicContact CD2-CZ 4.06Å; W125-F158 HydrophobicContact CE3-CD1 4.35Å; W125-F158 AromaticContact CE3-CE1 3.28Å; W125-F158 HydrophobicContact CE3-CE1 3.28Å; W125-F158 AromaticContact CE3-CZ 3.42Å; W125-F158 HydrophobicContact CE3-CZ 3.42Å; W125-F158 VanDerWaalsContact CE3-CZ 3.42Å; W125-F158 HydrophobicContact CZ3-CD1 4.19Å; W125-F158 AromaticContact CZ3-CE1 3.52Å; W125-F158 HydrophobicContact CZ3-CE1 3.52Å; W125-F158 HydrophobicContact CZ3-CZ 4Å; L126-F158 HydrophobicContact CB-CE1 4.24Å; L126-F158 HydrophobicContact CD1-CD1 4.35Å; L126-F158 HydrophobicContact CD1-CE1 4.19Å; P135-F158 HydrophobicContact CG-CD1 4.35Å; P135-F158 HydrophobicContact CG-CD2 3.89Å; P135-F158 HydrophobicContact CG-CE2 4.12Å; P135-F158 HydrophobicContact CG-CG 4.02Å; P135-F158 HydrophobicContact CG-CZ 4.46Å; L143-F158 HydrophobicContact CD1-CE2 3.64Å; L143-F158 HydrophobicContact CD1-CZ 3.83Å; V154-F158 HydrophobicContact CG1-CD2 3.86Å; V154-F158 HydrophobicContact CG1-CE2 3.85Å; V154-F158 WeakPolarHBondContact O-CD2 2.87Å; V154-F158 PolarHBondContact O-N 3.43Å; S155-F158 PolarHBondContact O-N 3.2Å; F158-N160 VanDerWaalsContact C-N 3.32Å; F158-N160 PolarHBondContact O-N 3.47Å; F158-A161 PolarHBondContact O-N 2.87Å; F158-R162 WeakPolarHBondContact O-CB 3.45Å; F158-R162 WeakPolarHBondContact O-CG 3.28Å; F158-R162 PolarHBondContact O-N 3.5Å
159A96.3Very high91.5Very high21 Ų2178.3 Ų78.317%0.17438%0.381CS..Hα-helixtrans-61.2-41.8173.700000111.7S155 T156 W157 R163S155-A159 PolarHBondContact O-N 3.33Å; T156-A159 PolarHBondContact O-N 3.42Å; W157-A159 PolarHBondContact O-N 3.02Å; A159-R163 VanDerWaalsContact O-CG 3.28Å; A159-R163 WeakPolarHBondContact O-CG 3.17Å; A159-R163 PolarHBondContact O-N 2.89Å; A159-R163 PolarHBondContact O-NH1 3.45Å
160N96.3Very high90.1Very high66 Ų6683.1 Ų83.135%0.35340%0.401SS..Hα-helixtrans-68.6-45.6176.4-163.1-60.7000111.8T156 W157 F158 R162 R163 R164T156-N160 PolarHBondContact O-N 2.89Å; W157-N160 PolarHBondContact O-N 2.99Å; F158-N160 VanDerWaalsContact C-N 3.32Å; F158-N160 PolarHBondContact O-N 3.47Å; N160-R162 PolarHBondContact O-N 2.92Å; N160-R163 WeakPolarHBondContact O-CB 3.37Å; N160-R163 PolarHBondContact O-N 2.76Å; N160-R164 WeakPolarHBondContact O-CG 3.38Å; N160-R164 PolarHBondContact O-N 2.82Å; N160-R164 PolarHBondContact OD1-NE 3.46Å; N160-R164 PolarHBondContact OD1-NH2 3.04Å
161A95Very high88.6Confident10 Ų1080.1 Ų80.18%0.08338%0.382CS..Hα-helixtrans-57.9-51.4178.500000111.3L126 W157 F158 R163 R164 L165L126-A161 HydrophobicContact CD2-CB 3.96Å; W157-A161 HydrophobicContact CE3-CB 4.01Å; W157-A161 HydrophobicContact CH2-CB 4.18Å; W157-A161 HydrophobicContact CZ3-CB 3.77Å; W157-A161 WeakPolarHBondContact O-CB 3.17Å; W157-A161 PolarHBondContact O-N 2.92Å; F158-A161 PolarHBondContact O-N 2.87Å; A161-R163 VanDerWaalsContact C-N 3.29Å; A161-R163 PolarHBondContact O-N 3.29Å; A161-R164 WeakPolarHBondContact O-CB 3.43Å; A161-R164 PolarHBondContact O-N 3.19Å; A161-L165 HydrophobicContact CB-CD1 4.5Å; A161-L165 WeakPolarHBondContact O-CD1 3.01Å; A161-L165 PolarHBondContact O-N 3.45Å
162R94.9Very high86.7Confident53 Ų5381.5 Ų81.520%0.239%0.394CS..Hα-helixtrans-56.1-40.6176.8-73.2-166-63.7-93.33113P133 F158 N160 L165 K166P133-R162 HydrophobicContact CB-CG 4.11Å; P133-R162 HydrophobicContact CG-CG 3.72Å; P133-R162 WeakPolarHBondContact O-CD 3.42Å; P133-R162 PolarHBondContact O-NH1 3.09Å; F158-R162 WeakPolarHBondContact O-CB 3.45Å; F158-R162 WeakPolarHBondContact O-CG 3.28Å; F158-R162 PolarHBondContact O-N 3.5Å; N160-R162 PolarHBondContact O-N 2.92Å; R162-L165 PolarHBondContact O-N 3.4Å; R162-K166 PolarHBondContact O-N 2.96Å
163R93.6Very high84.7Confident164 Ų16481.7 Ų81.762%0.61938%0.383SS*.Hα-helixtrans-63.5-42.1176.1-71.4177.8-161.9114.2-5.8111.8A159 N160 A161 K166 K167A159-R163 VanDerWaalsContact O-CG 3.28Å; A159-R163 WeakPolarHBondContact O-CG 3.17Å; A159-R163 PolarHBondContact O-N 2.89Å; A159-R163 PolarHBondContact O-NH1 3.45Å; N160-R163 WeakPolarHBondContact O-CB 3.37Å; N160-R163 PolarHBondContact O-N 2.76Å; A161-R163 VanDerWaalsContact C-N 3.29Å; A161-R163 PolarHBondContact O-N 3.29Å; R163-K166 PolarHBondContact O-N 3.32Å; R163-K167 PolarHBondContact O-N 3.36Å
164R91.4Very high82.3Confident159 Ų15982.3 Ų82.360%0.639%0.394SS*.Hα-helixtrans-62.1-49.1176-69.9177.5-177.5176.71110.6N160 A161 K166 K167 E168N160-R164 WeakPolarHBondContact O-CG 3.38Å; N160-R164 PolarHBondContact O-N 2.82Å; N160-R164 PolarHBondContact OD1-NE 3.46Å; N160-R164 PolarHBondContact OD1-NH2 3.04Å; A161-R164 WeakPolarHBondContact O-CB 3.43Å; A161-R164 PolarHBondContact O-N 3.19Å; R164-K166 VanDerWaalsContact C-N 3.3Å; R164-K166 PolarHBondContact O-N 3.33Å; R164-K167 PolarHBondContact O-N 3.49Å; R164-E168 WeakPolarHBondContact O-CG 3.44Å; R164-E168 PolarHBondContact O-N 3.45Å
165L86.9Confident80Confident15 Ų1587.8 Ų87.88%0.07943%0.429CS..Hα-helixtrans-56.2-41.5178-91.384.8000112.4L126 A161 R162 K170 M171L126-L165 HydrophobicContact CD2-CD1 3.85Å; L126-L165 HydrophobicContact CD2-CD2 4.38Å; A161-L165 HydrophobicContact CB-CD1 4.5Å; A161-L165 WeakPolarHBondContact O-CD1 3.01Å; A161-L165 PolarHBondContact O-N 3.45Å; R162-L165 PolarHBondContact O-N 3.4Å; L165-K170 PolarHBondContact O-N 2.99Å; L165-M171 HydrophobicContact CB-CB 3.95Å; L165-M171 HydrophobicContact CB-CG 4.21Å; L165-M171 HydrophobicContact CB-SD 4.22Å; L165-M171 HydrophobicContact CD2-CG 4.48Å; L165-M171 HydrophobicContact CD2-SD 3.43Å; L165-M171 WeakPolarHBondContact CD2-SD 3.33Å; L165-M171 HydrophobicContact CG-SD 4.39Å; L165-M171 WeakPolarHBondContact O-CB 3.48Å
166K81.3Confident77.5Confident168 Ų16896.8 Ų96.873%0.7346%0.455SS*.Hα-helixtrans-66.1-42.7174.8-175.7174.5-178.4174.80112.7R162 R163 R164R162-K166 PolarHBondContact O-N 2.96Å; R163-K166 PolarHBondContact O-N 3.32Å; R164-K166 VanDerWaalsContact C-N 3.3Å; R164-K166 PolarHBondContact O-N 3.33Å
167K79.9Confident74.6Confident193 Ų19399.6 Ų99.684%0.83947%0.467SS*.Hα-helixtrans-68.8-36.2-178.6-177.6175.6178.9178.70112.4R163 R164 N169R163-K167 PolarHBondContact O-N 3.36Å; R164-K167 PolarHBondContact O-N 3.49Å; K167-N169 VanDerWaalsContact C-N 3.34Å
168E73.6Confident72.2Confident89 Ų89107.7 Ų107.742%0.41650%0.498SS..THydrogen-bonded Turntrans-92.211.9-173.570.2-169.3160.400114.3R164 K170R164-E168 WeakPolarHBondContact O-CG 3.44Å; R164-E168 PolarHBondContact O-N 3.45Å; E168-K170 HydrophobicContact CB-CG 4.45Å; E168-K170 HydrophobicContact CG-CB 3.78Å; E168-K170 HydrophobicContact CG-CD 3.6Å; E168-K170 HydrophobicContact CG-CG 3.62Å; E168-K170 PolarHBondContact O-N 3.35Å; E168-K170 WeakPolarHBondContact OE2-CE 3.5Å
169N64.2Low69.7Low130 Ų130113.1 Ų113.170%0.69553%0.531SS*.THydrogen-bonded Turntrans4823.8-176.2-157.46.3000114.1K167 M171K167-N169 VanDerWaalsContact C-N 3.34Å; N169-M171 PolarHBondContact O-N 2.86Å
170K65.3Low66.9Low125 Ų125119.5 Ų119.554%0.54356%0.562SS.*  trans-83.58.2172.2-69177.5-147-66.10111.8L165 E168L165-K170 PolarHBondContact O-N 2.99Å; E168-K170 HydrophobicContact CB-CG 4.45Å; E168-K170 HydrophobicContact CG-CB 3.78Å; E168-K170 HydrophobicContact CG-CD 3.6Å; E168-K170 HydrophobicContact CG-CG 3.62Å; E168-K170 PolarHBondContact O-N 3.35Å; E168-K170 WeakPolarHBondContact OE2-CE 3.5Å
171M64.9Low64.4Low16 Ų16123.1 Ų123.18%0.07958%0.577CS.*  trans-135.986.4-172.1-155.671.7178.300108.2R130 P133 L165 N169 W173R130-M171 WeakPolarHBondContact O-CE 3.48Å; P133-M171 HydrophobicContact CB-CE 4.38Å; P133-M171 VanDerWaalsContact CD-CE 3.47Å; P133-M171 HydrophobicContact CG-CE 3.42Å; P133-M171 VanDerWaalsContact CG-CE 3.42Å; L165-M171 HydrophobicContact CB-CB 3.95Å; L165-M171 HydrophobicContact CB-CG 4.21Å; L165-M171 HydrophobicContact CB-SD 4.22Å; L165-M171 HydrophobicContact CD2-CG 4.48Å; L165-M171 HydrophobicContact CD2-SD 3.43Å; L165-M171 WeakPolarHBondContact CD2-SD 3.33Å; L165-M171 HydrophobicContact CG-SD 4.39Å; L165-M171 WeakPolarHBondContact O-CB 3.48Å; N169-M171 PolarHBondContact O-N 2.86Å; M171-W173 HydrophobicContact CE-CD2 4.16Å; M171-W173 HydrophobicContact CE-CH2 4.29Å; M171-W173 HydrophobicContact CE-CZ2 3.41Å; M171-W173 VanDerWaalsContact CE-CZ2 3.41Å; M171-W173 HydrophobicContact CG-CD2 4.39Å; M171-W173 HydrophobicContact CG-CG 4.02Å; M171-W173 PolarHBondContact O-N 3.31Å
172T56.6Low62.1Low117 Ų117130.7 Ų130.772%0.71861%0.611SS**  trans-74.769.5169.2-31.80000108T174T172-T174 HydrophobicContact CG2-CG2 4.09Å; T172-T174 PolarHBondContact O-N 2.98Å
173W54.4Low59.9Low106 Ų106132 Ų13240%0.40264%0.641SS.*  trans-68.585.3153.8-66.3111.4000105.2K131 P133 Y134 M171 P175K131-W173 WeakPolarHBondContact O-CH2 2.84Å; K131-W173 WeakPolarHBondContact O-CZ3 3.13Å; P133-W173 HydrophobicContact CG-CH2 4.3Å; P133-W173 HydrophobicContact CG-CZ2 3.67Å; Y134-W173 HydrophobicContact CD2-CH2 4.3Å; Y134-W173 AromaticContact CE2-CH2 3.9Å; Y134-W173 HydrophobicContact CE2-CH2 3.9Å; Y134-W173 AromaticContact CE2-CZ2 3.94Å; Y134-W173 HydrophobicContact CE2-CZ2 3.94Å; M171-W173 HydrophobicContact CE-CD2 4.16Å; M171-W173 HydrophobicContact CE-CH2 4.29Å; M171-W173 HydrophobicContact CE-CZ2 3.41Å; M171-W173 VanDerWaalsContact CE-CZ2 3.41Å; M171-W173 HydrophobicContact CG-CD2 4.39Å; M171-W173 HydrophobicContact CG-CG 4.02Å; M171-W173 PolarHBondContact O-N 3.31Å; W173-P175 WeakPolarHBondContact O-CD 2.98Å
174T46.4Very low57.1Low106 Ų106131.8 Ų131.865%0.6565%0.652SS**  trans-48.7114.1175.943.40000108.8T172 R176T172-T174 HydrophobicContact CG2-CG2 4.09Å; T172-T174 PolarHBondContact O-N 2.98Å; T174-R176 PolarHBondContact O-N 3.42Å
175P49.3Very low55.1Low116 Ų116130.3 Ų130.375%0.75366%0.66SS**  trans-67.5117.6139.93.717.4000103.1W173 N177W173-P175 WeakPolarHBondContact O-CD 2.98Å; P175-N177 PolarHBondContact O-N 3.44Å
176R44.3Very low53Low241 Ų241139.6 Ų139.691%0.90970%0.696SS**  trans-55.895.8165.6-98.6-108.6-172157.11.1106.5T174 R178T174-R176 PolarHBondContact O-N 3.42Å; R176-R178 PolarHBondContact O-N 2.91Å
177N37.6Very low51Low143 Ų143138.1 Ų138.177%0.76570%0.701SS**  trans-64.9118.8166.4-167.158.3000105.1P175P175-N177 PolarHBondContact O-N 3.44Å
178R46Very low49.4Very low221 Ų221134.4 Ų134.483%0.83470%0.699SS**  trans-58.4146.2163.8-71.6-170.3171.8-178.6-2.3107.9R176R176-R178 PolarHBondContact O-N 2.91Å
179T44.6Very low47.6Very low117 Ų117137.4 Ų137.472%0.71872%0.718SS**  trans6788.4164.345.70000117.5
180D38.4Very low46.3Very low154 Ų154138 Ų13882%0.82472%0.716SS**  -104.8119.8100.772.340.2000105.3
181E44.5Very low45Very low142 Ų142139.9 Ų139.966%0.66473%0.727SS**  63.388.972.9-61.3-152.8158.900112
182E46.4Very low43.6Very low169 Ų169143.1 Ų143.179%0.7977%0.765SS**SBendtrans57.898.7159.5-58.979.1-121.600120.3
183G48.4Very low42.7Very low80 Ų80146.8 Ų146.883%0.82577%0.774SS**  trans134.874.3136.700000117.1
184N33.7Very low42.4Very low160 Ų160151.4 Ų151.486%0.85680%0.8SS**  trans-152.188.4141.4-157.914.2000110.4
185V50.4Low42.5Very low128 Ų128149.5 Ų149.578%0.77680%0.801SS**  trans-71.2137.5166.8164.70000108
186Y43.1Very low42.4Very low210 Ų210151 Ų15182%0.82480%0.803SS**  trans9874.9164.5-123.9-95.6000118.5
187T38.3Very low42.8Very low138 Ų138148.3 Ų148.385%0.84780%0.798SS**  trans-172.2100131.1-91.60000108.3
188S46.9Very low43.2Very low114 Ų114152.6 Ų152.680%0.79780%0.803SS**  trans-144.4115.7161.8-174.80000107.4
189D36.8Very low43.4Very low153 Ų153151 Ų15182%0.81881%0.805SS**  trans168.7135157.7-96.5-8.4000104.8
190H35.7Very low43.8Very low141 Ų141152.7 Ų152.765%0.65381%0.81SS**  cis-169.91154.8172.775.3000103.7
191E38.6Very low44.6Very low166 Ų166154.2 Ų154.278%0.77681%0.812SS**  76.4125.9109.1-58.1-177.2-131.200117.2
192G35.3Very low45.1Very low84 Ų84155.9 Ų155.987%0.86682%0.82SS**  trans129.776.916000000116.3
193E38Very low45.3Very low193 Ų193157 Ų15790%0.90283%0.825SS**  trans-141.886.2150.3-161.6174.3-163.100109.2
194E48.1Very low45.7Very low204 Ų204157.6 Ų157.695%0.95381%0.808SS**  trans-82.3121.8161.8-172.2-178.1-144.200107.2
195G48.3Very low46.9Very low66 Ų66154.2 Ų154.268%0.6879%0.79SS**  trans136.669.6164.700000115.4
196D47.5Very low47.2Very low146 Ų146155.4 Ų155.478%0.78179%0.792SS**  trans-157.685.4141.3-151.6-6000110.8
197K51.3Low47.8Very low186 Ų186152.8 Ų152.881%0.80979%0.787SS**  trans-134.4115.4166.2-75.3-173.5-177.5172.30107.5
198R47.7Very low48.2Very low232 Ų232152.2 Ų152.288%0.87578%0.778SS**  trans110.374.5158.5-58.1169.5-72.5-150.56.8114.6
199E49.1Very low48.7Very low187 Ų187152.5 Ų152.587%0.87477%0.77SS**  trans-12624.7150.9-66.9-170.4-179.800111.4
200D54.1Low49.4Very low153 Ų153150.5 Ų150.582%0.81876%0.759SS**  trans-89.7134.7164.3-77.3-31.1000108.1
201E54.3Low50.4Low187 Ų187150.2 Ų150.287%0.87477%0.768SS**  trans9853.9173.5-52.1-177.6-161.200117.7
202E54.8Low51Low177 Ų177149.5 Ų149.583%0.82776%0.764SS**  trans-114.886.1137.8-71.7-168.8-173.200109.2I204E202-I204 VanDerWaalsContact C-N 3.35Å; E202-I204 PolarHBondContact O-N 3.04Å
203E51.8Low51.6Low193 Ų193152.3 Ų152.390%0.90276%0.759SS**  trans-63.996.3163.7-163.4171.3-148.400107D205E203-D205 PolarHBondContact O-N 3.01Å; E203-D205 VanDerWaalsContact O-N 3.14Å
204I56.7Low52.3Low92 Ų92150.9 Ų150.947%0.47276%0.756SS.*  trans-65.6114.5173.646.6169.7000108.5K137 E202 L206K137-I204 VanDerWaalsContact CE-CD1 3.47Å; K137-I204 VanDerWaalsContact NZ-CD1 3.27Å; E202-I204 VanDerWaalsContact C-N 3.35Å; E202-I204 PolarHBondContact O-N 3.04Å; I204-L206 PolarHBondContact O-N 3.22Å
205D57.5Low52.5Low89 Ų89150 Ų15048%0.47675%0.752SS.*  trans-67.4118.7176.8-164.89.9000109.8E203 E207E203-D205 PolarHBondContact O-N 3.01Å; E203-D205 VanDerWaalsContact O-N 3.14Å; D205-E207 VanDerWaalsContact CG-CG 3.42Å; D205-E207 PolarHBondContact O-N 3.26Å; D205-E207 WeakPolarHBondContact OD1-CG 3.11Å; D205-E207 WeakPolarHBondContact OD2-CG 3.37Å
206L57.9Low52.5Low153 Ų153152.3 Ų152.380%0.80176%0.758SS**THydrogen-bonded Turntrans-78.72.4-172.7-73.5170.8000113I204I204-L206 PolarHBondContact O-N 3.22Å
207E56Low52.5Low154 Ų154154.6 Ų154.672%0.7276%0.761SS**THydrogen-bonded Turntrans-97-9.1-178.528.1-172.6-177.400114.5D205D205-E207 VanDerWaalsContact CG-CG 3.42Å; D205-E207 PolarHBondContact O-N 3.26Å; D205-E207 WeakPolarHBondContact OD1-CG 3.11Å; D205-E207 WeakPolarHBondContact OD2-CG 3.37Å
208N45.7Very low52.6Low126 Ų126152.7 Ų152.767%0.67476%0.759SS**  trans-115.39-174.5-78.142000116D210N208-D210 VanDerWaalsContact C-N 3.33Å; N208-D210 PolarHBondContact O-N 2.8Å; N208-D210 VanDerWaalsContact O-N 3.1Å
209I57.5Low52.8Low120 Ų120149.1 Ų149.162%0.61576%0.758SS**  trans-82.887.4169.1-65.8171.2000107.7T211I209-T211 HydrophobicContact CG2-CG2 4.33Å; I209-T211 PolarHBondContact O-N 3.35Å
210D51.1Low52.9Low111 Ų111148.6 Ų148.659%0.59476%0.76SS**  trans-64.198.2168.4-80.9-27.4000109N208 E212N208-D210 VanDerWaalsContact C-N 3.33Å; N208-D210 PolarHBondContact O-N 2.8Å; N208-D210 VanDerWaalsContact O-N 3.1Å; D210-E212 HydrophobicContact CB-CG 3.92Å; D210-E212 PolarHBondContact O-N 3.16Å
211T57.6Low52.6Low136 Ų136148.3 Ų148.383%0.83476%0.759SS**THydrogen-bonded Turntrans-67.85.9172.542.20000113.6I209I209-T211 HydrophobicContact CG2-CG2 4.33Å; I209-T211 PolarHBondContact O-N 3.35Å
212E51.1Low52.4Low151 Ų151146.4 Ų146.471%0.70676%0.755SS**THydrogen-bonded Turntrans-93.8-9.9-178.649.6-172.5-154.900114.5D210 I214D210-E212 HydrophobicContact CB-CG 3.92Å; D210-E212 PolarHBondContact O-N 3.16Å; E212-I214 PolarHBondContact O-N 2.92Å
213N47Very low52Low142 Ų142146.3 Ų146.376%0.75975%0.754SS**THydrogen-bonded Turntrans-91.612.6-176.4-168.755.4000115.5
214I53.6Low51.7Low163 Ų163143.5 Ų143.584%0.83675%0.745SS**THydrogen-bonded Turntrans-100.7-9175.3-83.7170.4000113E212E212-I214 PolarHBondContact O-N 2.92Å
215E52.6Low51.2Low185 Ų185146.2 Ų146.286%0.86476%0.761SS**SBendtrans-102.714-176.1-82.5-174.1170.300115.7
216S47.1Very low50.7Low115 Ų115148.8 Ų148.880%0.80477%0.774SS**  trans-133.755.9175.3-83.20000113.3
217K48.9Very low50Low195 Ų195149.7 Ų149.785%0.84877%0.774SS**  trans-130.638.7165.4-152.6177.3178.170.70112.1
218D51.6Low49.4Very low145 Ų145148.2 Ų148.278%0.77578%0.78SS**SBendtrans-126.9132.4159.2-65.6-48.4000105.3
219D52.7Low49.3Very low158 Ų158149.1 Ų149.185%0.84579%0.785SS**  trans83.4101.9-175-50.1-37.7000115.8
220L50.8Low48.7Very low175 Ų175149.2 Ų149.292%0.91679%0.785SS**  176.195.5122-85-175000109.6
221D47.9Very low48.3Very low148 Ų148153.7 Ų153.779%0.79180%0.8SS**  trans-77.6156.5158.4-74.9-46.4000110.5
222D50.2Low47.9Very low147 Ų147154.2 Ų154.279%0.78680%0.797SS**  trans63.9102.7155.3-59.4-44.2000120.4
223Q47.6Very low47.4Very low175 Ų175154.5 Ų154.582%0.81880%0.803SS**  -173.8126.3128.5-141.7101.166.100114.4
224D45Very low46.9Very low134 Ų134151 Ų15172%0.71780%0.8SS**  trans71.393.3143.2-60.4-13.3000123.7
225D45.5Very low46.4Very low148 Ų148154.8 Ų154.879%0.79180%0.804SS**  20.7141.2104.5-89.3-42000123.1
226L47.9Very low46Very low144 Ų144151.5 Ų151.575%0.75480%0.802SS**  trans77110.4162-81.584.8000119.9
227H42.6Very low45.7Very low172 Ų172153 Ų15380%0.79680%0.801SS**  153111.896.1-146-91.8000112
228S43.1Very low45.5Very low122 Ų122149 Ų14985%0.85380%0.797SS**  trans179.285.2135.838.70000110
229D43.7Very low45.4Very low145 Ų145150.6 Ų150.678%0.77580%0.8SS**  trans-92148.6172.1-143.7-4.4000110.3
230I45Very low44.6Very low122 Ų122150.9 Ų150.963%0.62680%0.8SS**  trans83.3108.4152-50.9145.2000119.3L232I230-L232 HydrophobicContact CG2-CD1 4.24Å; I230-L232 HydrophobicContact CG2-CG 4.24Å
231K43.8Very low44.1Very low206 Ų206146.9 Ų146.990%0.89679%0.787SS**  -135.8116.4120-153.7162.1-174.9174.80110.7
232L48Very low43.7Very low147 Ų147147.5 Ų147.577%0.7779%0.79SS**  trans-97135.5-178.8-83.9163.5000111.2I230I230-L232 HydrophobicContact CG2-CD1 4.24Å; I230-L232 HydrophobicContact CG2-CG 4.24Å
233D40.8Very low42.9Very low156 Ų156143.8 Ų143.883%0.83479%0.786SS**  trans-176.4125.514734.9-33.1000109.5
234G36.2Very low42.4Very low69 Ų69146 Ų14671%0.71179%0.789SS**  cis173.8166.3-2.300000110.8
235R42.6Very low42.5Very low243 Ų243147.7 Ų147.792%0.91779%0.792SS**  trans86.6101160.5-56.1-177.6174.8-162-2.9116.8
236S44.8Very low42.1Very low116 Ų116146.5 Ų146.581%0.81179%0.786SS**  67.9100.796.3-83.70000112.5
237D41.1Very low41.8Very low147 Ų147145.3 Ų145.379%0.78678%0.779SS**  65.4109.184.4-169.929.2000113.3
238S44.5Very low41.3Very low111 Ų111145.4 Ų145.478%0.77678%0.78SS**  174.9132.7126.139.30000111.3
239E50.5Low41Very low178 Ų178142.7 Ų142.783%0.83277%0.772SS**  trans-58.8158.1163.7-55-179.911400112
240I33.9Very low41Very low164 Ų164141.5 Ų141.584%0.84177%0.772SS**  trans144.7135130.6-154.682.4000113.4
241S40.5Very low40.4Very low91 Ų91144 Ų14464%0.63678%0.781SS**  trans98.494140.9-155.60000119.8
242D39.6Very low40.1Very low160 Ų160142 Ų14286%0.85678%0.775SS**  46.5126.5114.3-59.6-25.2000121.4
243G34.9Very low39.5Very low69 Ų69144.5 Ų144.571%0.71177%0.774SS**  152.7108.7128.500000118.2
244Y36.8Very low38.9Very low223 Ų223143.8 Ų143.888%0.87576%0.764SS**  trans90.9101.8154.5119.2-90.1000118.3
245E46.7Very low38.6Very low169 Ų169147.3 Ų147.379%0.7977%0.766SS**  70.4132.175-80.5-160.2178.700113.2
246D38Very low38.1Very low122 Ų122145.5 Ų145.565%0.65276%0.764SS**  cis-170.816217.7-153.3-0000111.9
247L40.6Very low37.7Very low119 Ų119143.6 Ų143.662%0.62376%0.755SS**  trans61.4111.3156.6-51.7-179.3000125.7
248Q32.9Very low37.1Very low175 Ų175143.8 Ų143.882%0.81876%0.761SS**  63.8115.2106.5-131.8132.671.100119.9
249G36Very low36.3Very low65 Ų65141.5 Ų141.567%0.6776%0.756SS**  trans-63.7175.4160.200000112.1
250P43.4Very low35.7Very low120 Ų120143.1 Ų143.178%0.77976%0.76SS**  -155.8-172.851.941.6-18.7000116.4
251E33.3Very low35.4Very low174 Ų174144 Ų14481%0.81376%0.761SS**  trans65119.1148.5-77.7-170.4-164.400123.2
252Q36.8Very low34.9Very low165 Ų165144 Ų14477%0.77177%0.765SS**  39.3140.5125.4-63.2-141.724.100121.7
253R35Very low34.7Very low198 Ų198145.6 Ų145.675%0.74777%0.765SS**  trans95.1130.9142.2-88.7-171164.9-168.8-4.3118
254F29.2Very low34.3Very low142 Ų142151 Ų15162%0.62377%0.772SS**  trans102.2101.1130.7-90.7-135.9000117.7
255L30.3Very low33.9Very low143 Ų143144.2 Ų144.275%0.74976%0.762SS**  trans76.5144.7130.8-66.8167.1000117.5
256K31.2Very low33Very low205 Ų205145.1 Ų145.189%0.89177%0.766SS**  trans91.3129.2147.7-149170.5-176.4-177.20112.8
257A35.7Very low32.6Very low75 Ų75151.4 Ų151.462%0.6278%0.78SS**  cis-164141.25.900000105.6
258V28.8Very low32Very low151 Ų151149.4 Ų149.492%0.91579%0.789SS**  43.7114.398.9163.90000113.3
259G28.8Very low31.9Very low64 Ų64145 Ų14566%0.6679%0.79SS**  trans124.797.6150.200000114
260K36.5Very low31.6Very low211 Ų211150.1 Ų150.192%0.91780%0.797SS**  174.5133.393.5-95.4174.3175.2176.90111.8
261E27.7Very low31Very low184 Ų184151.8 Ų151.886%0.8680%0.798SS**  trans-61.3159.7162.6-68.9-174.6120.300113.7
262A30.2Very low30.8Very low89 Ų89151.4 Ų151.474%0.73679%0.794SS**  trans64.5120.9134.200000121.5
263K35Very low30.5Very low194 Ų194152.1 Ų152.184%0.84380%0.797SS**  170.3112.1122-94176.1176.8-176.20108.2
264E26.6Very low30.2Very low183 Ų183145.8 Ų145.886%0.85579%0.793SS**  73.9131.272.2-158.9179.2-169.500114.8
265A29.9Very low30.3Very low80 Ų80148 Ų14866%0.66181%0.805SS**  trans99.995.1153.900000121
266Q27.6Very low30.3Very low188 Ų188150.1 Ų150.188%0.87981%0.811SS**  72.4112.6104.4-152.216011.700120.2
267R29.6Very low30.5Very low254 Ų254149.2 Ų149.296%0.95881%0.809SS**  trans-151.6122.8138.6-130.3-179.4-162.5-112.33.5110.3
268G27.8Very low30.2Very low78 Ų78154.6 Ų154.680%0.80482%0.821SS**  trans-88.5177.3176.100000113.6
269G30Very low30.5Very low81 Ų81155.5 Ų155.584%0.83582%0.815SS**  trans159.8107.1167.800000112.2
270E29.9Very low31Very low174 Ų174157.9 Ų157.981%0.81382%0.819SS**  trans-73158.4179-52.8-160.6145.200114
271L31.7Very low30.6Very low154 Ų154153.5 Ų153.581%0.80682%0.815SS**  169.5122.7119.9-104.6119.4000113.6
272F28.8Very low31Very low166 Ų166152.8 Ų152.873%0.72882%0.816SS**  trans29.8123.4141.7-80.3-100.3000122.4
273H31.3Very low31.1Very low181 Ų181156.2 Ų156.284%0.83882%0.822SS**  174.7130.9100.8-89.987.4000110.8
274G27.5Very low30.9Very low65 Ų65154.9 Ų154.967%0.6782%0.823SS**  trans-105.1158.4174.300000113
275H31.1Very low31.3Very low187 Ų187156.1 Ų156.187%0.86683%0.825SS**  trans-150.8112155.7-97.8-45.8000110.7
276H31.2Very low31.4Very low189 Ų189156.5 Ų156.588%0.87583%0.828SS**  trans-96.3139.8165.9-96.7-58000109.5
277H34.2Very low31.4Very low185 Ų185153.6 Ų153.686%0.85683%0.829SS**  trans-104.8143.4169.6-86.3-70.3000112.3
278H31.1Very low31.5Very low188 Ų188150.1 Ų150.187%0.8782%0.823SS**  trans-69.3152.3-168.2-90.6-86.1000117
279H33.3Very low32.5Very low171 Ų171151.8 Ų151.879%0.79282%0.82SS**  trans-119.4140.4155.9-168.1-94.3000108.3
280P40.8Very low32.4Very low114 Ų114155.4 Ų155.474%0.7482%0.82SS**  trans-100.5140.117334.2-26.1000112.2
281S28.1Very low32.4Very low118 Ų118150.3 Ų150.383%0.82581%0.808SS**  trans-131.2136.6165-175.50000108.1
282L35.9Very low32.4Very low169 Ų169150.7 Ų150.789%0.88581%0.805SS**  trans-88.5150-175.1-71.6168.5000112.8
283D31.4Very low32.5Very low161 Ų161149.6 Ų149.686%0.86180%0.802SS**  trans-66.9148.8-172.8-77.4-67.3000116.6
284I31.8Very low32.6Very low167 Ų167147.5 Ų147.586%0.85680%0.797SS**  trans-108.2129.9162.5-75.3167.9000107.9
285K33.9Very low32.8Very low209 Ų209152.6 Ų152.691%0.90980%0.801SS**  trans-143.5133.7157.8-162.4168.3-177.8176.30112
286A32.6Very low32.8Very low88 Ų88150 Ų15073%0.72779%0.792SS**  trans-81.6156.9-172.500000114.8
287S27.9Very low32.8Very low127 Ų127147 Ų14789%0.88878%0.783SS**  trans-174.5131.3133.2-109.50000112.3
288Q31.9Very low32.7Very low181 Ų181146.3 Ų146.385%0.84678%0.78SS**  trans-90.6-175.1164.5-94.5-164.7-11.400110.1
289P49.1Very low32.7Very low113 Ų113143.9 Ų143.973%0.73478%0.778SS**  cis-134.5179.6-10.421.93.3000114.2
290N26.1Very low32.7Very low157 Ų157141 Ų14184%0.8478%0.777SS**  136.5137.4128.4-159.127.3000117.4
291A30.8Very low32.3Very low67 Ų67139.8 Ų139.855%0.55478%0.776SS**  trans71.5111.2147.500000124
292E30.9Very low32.5Very low161 Ų161139.7 Ų139.775%0.75278%0.776SS**  64.6121.2118.7-60.6-153.6119.700124.2
293Q30.4Very low32.4Very low143 Ų143137 Ų13767%0.66877%0.772SS**  75.2122.3124.9-71.9-172.433.800123.4
294L33.6Very low33.5Very low137 Ų137134.9 Ų134.972%0.71777%0.766SS**  trans78.8111.8131.5-63.6173000122
295K31.8Very low33.9Very low173 Ų173133 Ų13375%0.75277%0.765SS**  89.5126.1109.6-160.1163.6-176.6179.20121.1
296L31.8Very low34Very low131 Ų131128.4 Ų128.469%0.68676%0.759SS**  trans88.9124.8145.9-77.9165.8000123.9
297N30.5Very low34.1Very low127 Ų127132.8 Ų132.868%0.67976%0.764SS**  trans84.5121.4131.7-84.9-0.4000125
298Q31.9Very low34.3Very low171 Ų171133.6 Ų133.680%0.79976%0.759SS**  trans33.8134131.7-71.2-173.811.600120.8
299V32.5Very low34.5Very low137 Ų137132.5 Ų132.583%0.8376%0.759SS**  -175.8141.9106.5160.90000110.6
300S32.7Very low34.2Very low109 Ų109132.5 Ų132.576%0.76276%0.759SS**  trans-59.8154.9173.9-49.50000115.3
301A32.2Very low34.9Very low89 Ų89129.3 Ų129.374%0.73675%0.754SS**  168.1138.212200000114.5
302S31.9Very low35.4Very low117 Ų117132.2 Ų132.282%0.81877%0.768SS**  trans64.2119141.858.30000122.8
303S34.6Very low36Very low113 Ų113128.5 Ų128.579%0.7976%0.764SS**  trans-53-171.7166.1-410000116.8
304P54.6Low36.8Very low115 Ų115130.2 Ų130.275%0.74777%0.772SS**  -121.9-171.3-65.635-16.1000111
305P39.9Very low37Very low129 Ų129132.8 Ų132.884%0.83878%0.778SS**  -143.6151116.532.9-16.2000115.5
306S36.7Very low37.8Very low111 Ų111130.2 Ų130.278%0.77678%0.778SS**  trans-64.8146163-670000111.7
307E34.1Very low38.7Very low180 Ų180132.7 Ų132.784%0.84178%0.784SS**  trans-167.9129.8132.4-109.2175.8163.900113
308N33.1Very low40.2Very low145 Ų145133.3 Ų133.378%0.77579%0.785SS**  trans46.4111.1146.3-73.8-30.1000121.6
309N34.8Very low41.3Very low157 Ų157136.9 Ų136.984%0.8479%0.792SS**  trans-152.9126.5132.8-142.6-12.1000111.2
310P43Very low42.3Very low113 Ų113135.2 Ų135.273%0.73479%0.786SS**  trans-73.4159.2175.729.5-34.1000112.8
311A40.7Very low43.6Very low90 Ų90138.9 Ų138.974%0.74480%0.796SS**  trans-49.6167-170.700000117
312P40.8Very low45Very low129 Ų129138.8 Ų138.884%0.83880%0.795SS**  -120.8136.811934.3-30.2000112.3
313A44Very low46Very low82 Ų82142.2 Ų142.268%0.67880%0.798SS**  trans-72.8160.2176.100000112.6
314Q48Very low46.6Very low179 Ų179143.8 Ų143.884%0.83680%0.803SS**  trans80.6113.2156.2-51.7-163.8-1100118.2
315K38.5Very low45.9Very low192 Ų192142.8 Ų142.884%0.83581%0.805SS**  -153.2132.1110.5-52.4-169.7-177.3175.90109.2K317K315-K317 PolarHBondContact O-N 3.39Å; K315-K317 VanDerWaalsContact O-N 3.15Å
316P47.5Very low46Very low118 Ų118143.4 Ų143.477%0.76681%0.807SS**  trans-72.5107.717428.8-30.5000109.6I318P316-I318 VanDerWaalsContact C-N 3.32Å; P316-I318 PolarHBondContact O-N 2.95Å; P316-I318 VanDerWaalsContact O-N 3.15Å
317K50.5Low45.9Very low184 Ų184143 Ų14380%0.881%0.81SS**  trans-83.381.3169.5-94166.7176.6171.80109.1K315K315-K317 PolarHBondContact O-N 3.39Å; K315-K317 VanDerWaalsContact O-N 3.15Å
318I63.1Low46.6Very low139 Ų139140.2 Ų140.271%0.71381%0.807SS**  trans-51.3138.5149.24.1176.5000106.2P316P316-I318 VanDerWaalsContact C-N 3.32Å; P316-I318 PolarHBondContact O-N 2.95Å; P316-I318 VanDerWaalsContact O-N 3.15Å
319W53.6Low46.8Very low247 Ų247140.3 Ų140.394%0.93681%0.808SS**  trans8740.2-178.4-46.283.2000118.4
320S54.6Low46.6Very low101 Ų101140 Ų14071%0.70681%0.807SS**  trans-105.1104.6154.5-73.50000110.1A322S320-A322 VanDerWaalsContact C-N 3.35Å
321L58.8Low47Very low187 Ų187138.9 Ų138.998%0.97980%0.799SS**  trans-9422.7-178.5-151.682.2000113
322A61.5Low46.9Very low86 Ų86146 Ų14671%0.71181%0.806SS**  trans-151.481.8-175.900000111.1S320S320-A322 VanDerWaalsContact C-N 3.35Å
323E53Low46.6Very low189 Ų189149.2 Ų149.288%0.88381%0.807SS**  trans-159.250.2156.8-140.7173.5149.700112.7
324T48.2Very low46.4Very low146 Ų146150.9 Ų150.990%0.89681%0.814SS**  trans-146.276.1165.256.50000110.5
325A39.9Very low46.4Very low95 Ų95147.7 Ų147.779%0.78581%0.809SS**  trans-169.583.2156.400000110.5
326T42.3Very low46.1Very low142 Ų142146.3 Ų146.387%0.87181%0.806SS**SBendtrans-172.4118.1134.1460000111.2
327A33.4Very low45.8Very low102 Ų102147.2 Ų147.284%0.84381%0.809SS**  trans93146.6146.300000120.7
328P48.7Very low44.9Very low121 Ų121145.5 Ų145.579%0.78681%0.808SS**  trans-116165.3-149.636-18.6000115.4
329D37.5Very low43.5Very low147 Ų147141.9 Ų141.979%0.78681%0.805SS**  trans36.9116.7150.9-157.415.5000121.4
330N31.5Very low42.6Very low152 Ų152135.9 Ų135.981%0.81380%0.801SS**  -168.3130.3126.6-16228.6000111.1
331P51.5Low41.6Very low88 Ų88134.4 Ų134.457%0.57180%0.802SS**  trans-91139.5176.934.2-31.2000111.4
332R36.9Very low40.7Very low239 Ų239135 Ų13590%0.90280%0.8SS**  trans160.4114.7146.3-93.7-176.1-147.7169.26.6110.8
333K35Very low39.5Very low197 Ų197135.2 Ų135.286%0.85780%0.801SS**  159.4106.3124.2-92.5173174.5-176.40110.2
334S40.5Very low38.6Very low118 Ų118130.3 Ų130.383%0.82579%0.793SS**  trans-65.5147.4141.8-60.20000108.1
335P46.9Very low37.9Very low112 Ų112130.3 Ų130.373%0.72779%0.793SS**  -146.4168.7101.720.62.4000111.2
336Q33.3Very low37.5Very low163 Ų163129.7 Ų129.776%0.76280%0.796SS**  cis177.9134.8-9.4175.5179.1-26.100102.6
337V40Very low36.9Very low137 Ų137126.8 Ų126.883%0.8379%0.794SS**  trans-74.5132.3169.8170.80000108.6
338N32.7Very low36.8Very low147 Ų147125.1 Ų125.179%0.78679%0.787SS**  trans-155.4129.3158.4-117.625.6000106.3
339G33.9Very low36Very low63 Ų63126.2 Ų126.265%0.64979%0.791SS**  cis105.482.41500000111.5
340S34.3Very low35.9Very low122 Ų122123.1 Ų123.185%0.85379%0.786SS**  trans-164.2118.1155.344.10000106.7
341G33.4Very low36.1Very low70 Ų70121.7 Ų121.772%0.72278%0.784SS**  cis86.2113.942.200000106.8
342Q39.3Very low35.3Very low200 Ų200125.5 Ų125.594%0.93579%0.794SS**  173.1168.257.5-91.6167.521.200105.5
343A37.7Very low35Very low90 Ų90119 Ų11974%0.74478%0.781SS**  cis-176.2151-11.100000106.1
344A33.4Very low34.9Very low86 Ų86116.3 Ų116.371%0.71177%0.774SS**  trans-174.799.1136.400000111.2
345T34.4Very low34.5Very low145 Ų145118.3 Ų118.389%0.8977%0.774SS**  49.9126.4128.661.90000118.6
346G30.9Very low33.9Very low82 Ų82116.4 Ų116.485%0.84577%0.774SS**  cis148.1131.518.300000106.6
347G29.9Very low34.7Very low81 Ų81113.9 Ų113.984%0.83577%0.772SS**  trans167.784.2179.600000111.5
348G30.5Very low34.4Very low68 Ų68115.4 Ų115.470%0.70177%0.77SS**  trans-68.9176164.700000111
349T33.4Very low34.7Very low143 Ų143118.6 Ų118.688%0.87777%0.771SS**  cis-177.2167.50.519.50000105
350A33.8Very low35Very low82 Ų82122.6 Ų122.668%0.67878%0.776SS**  trans83.6100.6164.100000116
351T35.6Very low35.4Very low123 Ų123123.6 Ų123.676%0.75577%0.771SS**  49.5111.381.573.40000111
352Q35.7Very low35.5Very low168 Ų168124.6 Ų124.679%0.78577%0.767SS**  174.1155.477.6-98.3-59.917.800110.5
353T30.2Very low35.7Very low103 Ų103120.7 Ų120.763%0.63276%0.761SS**  trans87.3107.3139.9-64.10000121.8
354I33.5Very low35.6Very low140 Ų140121.7 Ų121.772%0.71876%0.762SS**  74114.2125.9-63.2-177000121.1
355I31.8Very low36.2Very low160 Ų160123.3 Ų123.382%0.82177%0.765SS**  trans67.3105140.4-54.4171000121.3
356G34.6Very low36.7Very low71 Ų71123.8 Ų123.873%0.73277%0.767SS**  trans64.5161.6130.600000121.4
357P50.2Low36.8Very low110 Ų110123 Ų12371%0.71476%0.76SS**  cis-132.3178.1-4.126.1-1.1000115.4
358H33.9Very low37.1Very low169 Ų169128.1 Ų128.178%0.78276%0.759SS**  trans113.3115.3154.9-65.1-75.3000120.6
359R38.1Very low37.8Very low215 Ų215133.5 Ų133.581%0.81177%0.77SS**  trans84.293.2156.7-64.6-171179.8-101.81.4117.5
360L40.5Very low38.2Very low146 Ų146133.9 Ų133.976%0.76476%0.762SS**  72.8121.675-70.6180000110.4
361I42.8Very low38.2Very low144 Ų144136.3 Ų136.374%0.73876%0.763SS**  cis-158116.115.4-58.2-169.3000106.2
362S34.2Very low38.4Very low91 Ų91142.5 Ų142.564%0.63677%0.773SS**  73.3101.994.5-1480000115.1
363S43.9Very low38.5Very low117 Ų117139 Ų13982%0.81876%0.763SS**  trans-59.2142.7142.244.10000110
364C36.9Very low38.8Very low112 Ų112141.2 Ų141.276%0.75777%0.771SS**  trans-161157172.3-94.10000108.8
365P44.9Very low39Very low120 Ų120145.5 Ų145.578%0.77978%0.778SS**  -116.5-178.2-13025.7-6.2000114.5G367P365-G367 PolarHBondContact O-N 3.38Å
366V45.1Very low39.2Very low154 Ų154142 Ų14293%0.93377%0.773SS**  trans-42.6132.1171.9119.40000112.5
367G34.1Very low39.4Very low67 Ų67148 Ų14869%0.69178%0.779SS**  trans-145.8101.7175.900000111.3P365P365-G367 PolarHBondContact O-N 3.38Å
368K36.2Very low38.8Very low187 Ų187147.1 Ų147.181%0.81378%0.776SS**  trans24.5101.3142.3-66.4169176.9171.30116.2Q370K368-Q370 PolarHBondContact O-N 2.72Å
369I44.2Very low38.7Very low182 Ų182143.3 Ų143.393%0.93377%0.773SS**  trans-60.9109.1154.913.5172.4000107.6
370Q41.3Very low38.6Very low150 Ų150141.6 Ų141.670%0.70177%0.774SS**  trans-66135.9173.4-71.5-75-200109.6K368 W372K368-Q370 PolarHBondContact O-N 2.72Å; Q370-W372 PolarHBondContact O-N 3.05Å
371N34.6Very low38.4Very low134 Ų134142.5 Ų142.572%0.71778%0.775SS**  trans-45117.9154.7-92.8-30.8000109.7
372W38.8Very low38.2Very low253 Ų253144.1 Ų144.196%0.95878%0.784SS**  trans-101.574147.5-74.1-2.6000107.6Q370Q370-W372 PolarHBondContact O-N 3.05Å
373T38.9Very low38.3Very low93 Ų93143.5 Ų143.557%0.57178%0.784SS**  trans-78.3144.614850.10000107.5
374N36.7Very low38.1Very low151 Ų151145.7 Ų145.781%0.80779%0.786SS**  trans70.486.2164.3-56-54.3000116.8
375R37Very low38.3Very low230 Ų230148.1 Ų148.187%0.86879%0.791SS**  trans-95.996.7134-148175.8-163.2-164.93.5107.7F377R375-F377 PolarHBondContact O-N 3.04Å
376A36.7Very low38Very low86 Ų86148.9 Ų148.971%0.71179%0.788SS**  trans-54.2119.3160.800000108.1S378A376-S378 VanDerWaalsContact C-N 3.34Å; A376-S378 PolarHBondContact O-N 3.23Å; A376-S378 VanDerWaalsContact O-N 3.14Å
377F38.6Very low37.6Very low197 Ų197146 Ų14686%0.86478%0.775SS**  trans-75.5100.2158.6-97.6-85.7000106.9R375 A379R375-F377 PolarHBondContact O-N 3.04Å; F377-A379 PolarHBondContact O-N 3.4Å
378S36.5Very low37.8Very low92 Ų92149.4 Ų149.464%0.64378%0.777SS**  trans-53.9125.5165.6-177.60000108.7A376 H380A376-S378 VanDerWaalsContact C-N 3.34Å; A376-S378 PolarHBondContact O-N 3.23Å; A376-S378 VanDerWaalsContact O-N 3.14Å; S378-H380 PolarHBondContact O-N 3.15Å
379A33.5Very low38Very low88 Ų88148.4 Ų148.473%0.72778%0.775SS**  trans-42.9122161.200000110F377F377-A379 PolarHBondContact O-N 3.4Å
380H35.7Very low37.8Very low180 Ų180149.9 Ų149.983%0.83377%0.77SS**  trans-100.2113.9146.4-9071.7000106.5S378 L382S378-H380 PolarHBondContact O-N 3.15Å; H380-L382 PolarHBondContact O-N 3.15Å
381Q36Very low37.5Very low164 Ų164151.4 Ų151.477%0.76678%0.782SS**  trans-56.8129.5157.3-73.9-160.417.900109
382L38.2Very low37.3Very low178 Ų178147.5 Ų147.593%0.93277%0.774SS**  trans-136.786.6138.8-76179.3000107H380H380-L382 PolarHBondContact O-N 3.15Å
383A36.2Very low37.2Very low78 Ų78143.5 Ų143.565%0.64577%0.771SS**  trans-86.4121.1153.300000106.9
384L39.7Very low37.1Very low163 Ų163143.4 Ų143.485%0.85378%0.779SS**  trans155.6146.2137.2-82.2167.5000110.4
385L41.3Very low37Very low164 Ų164143.5 Ų143.586%0.85978%0.78SS**  trans89.672.5-167.9-53.5153.6000110.8
386N38.9Very low36.9Very low136 Ų136142.1 Ų142.173%0.72778%0.783SS**  31.293.767.7-161.211.1000113.5
387S35.5Very low36.8Very low93 Ų93140.9 Ų140.965%0.6577%0.773SS**  trans-153.878.6155.6-73.10000108.8H389S387-H389 PolarHBondContact O-N 3.21Å
388N38.5Very low36.6Very low138 Ų138138.1 Ų138.174%0.73877%0.772SS**  trans-67.1106.7151.8-80.9-49.4000107.8
389H40.7Very low36.5Very low167 Ų167137.5 Ų137.577%0.77377%0.773SS**  trans-104.596.7156.9-78.1-92.1000106.2S387S387-H389 PolarHBondContact O-N 3.21Å
390Y39.4Very low36.6Very low213 Ų213140 Ų14084%0.83578%0.78SS**  43.181.187.8-85.9-84.5000113.5
391L36.9Very low36.4Very low181 Ų181136.2 Ų136.295%0.94877%0.773SS**  trans-118.684.3140.5-110.1158.6000106.8
392G29.7Very low36.4Very low53 Ų53136 Ų13655%0.54678%0.776SS.*  trans-96.1124.9161.200000108.7
393L37.1Very low36.3Very low169 Ų169131.6 Ų131.689%0.88577%0.766SS**  trans-153.2102.3137.3-125.877.1000106.1
394A36.4Very low36.3Very low90 Ų90135.7 Ų135.774%0.74478%0.776SS**  71.891.3109.400000112.2
395N34.9Very low36.2Very low154 Ų154138.7 Ų138.782%0.82478%0.777SS**  54.8101.377.8-147.310.9000113
396Q35.4Very low35.8Very low200 Ų200134.9 Ų134.994%0.93577%0.765SS**  trans-132.9115.4142.4-164.2176101.900108.2
397A34.2Very low35.5Very low61 Ų61133.1 Ų133.150%0.50476%0.763SS.*  trans-91.7156.9174.900000110.1
398T33.9Very low35.5Very low138 Ų138139 Ų13985%0.84777%0.771SS**  trans64.3120.6146530000119.6
399A34.5Very low35.3Very low80 Ų80140 Ų14066%0.66177%0.771SS**  178.8136.7108.900000112.8
400T36.2Very low35.1Very low141 Ų141137.4 Ų137.487%0.86577%0.767SS**  trans66.1143.3142540000119.6
401S30.6Very low34.9Very low100 Ų100136.3 Ų136.370%0.69977%0.77SS**  cis-173.9148.6-6.5-176.20000108
402L36.9Very low34.9Very low158 Ų158135.1 Ų135.183%0.82776%0.764SS**  trans-6.9138.7151.9-67.9148.4000120.6
403A36.3Very low35.2Very low87 Ų87142.2 Ų142.272%0.71978%0.78SS**  168113.4124.100000110.2
404L35.1Very low35.1Very low163 Ų163137.7 Ų137.785%0.85376%0.763SS**  70.8107.484.6-79.4166.1000116.1
405Y37.2Very low35.2Very low226 Ų226141.4 Ų141.489%0.88676%0.764SS**  trans-179.8108.4130-127.6-102.5000108.5
406S34.2Very low35.1Very low85 Ų85138.4 Ų138.459%0.59476%0.756SS**  81.2121.866.8-165.20000115.3
407S32.8Very low35.2Very low98 Ų98134.5 Ų134.569%0.68575%0.75SS**  trans73.5144.4148.7-67.70000118.2
408R35.3Very low35.4Very low218 Ų218140 Ų14082%0.82377%0.766SS**  cis-168.9148.57.9-118.8175.3-178.3-161.3-0.3110
409Q34.8Very low35.8Very low158 Ų158139.3 Ų139.374%0.73876%0.761SS**  trans19.4120.3135.2-87.4-178.2-6.600120.5
410T35.2Very low36.6Very low113 Ų113140.6 Ų140.669%0.69376%0.763SS**  87.3124.898.360.30000115.2
411E35.6Very low36.8Very low189 Ų189139.6 Ų139.688%0.88376%0.757SS**  -175.7132116.7-102.9-17812600112.5
412D36.3Very low37.5Very low157 Ų157141.4 Ų141.484%0.8476%0.763SS**  trans-64.8142.9159.5-87-52.4000111.2
413K37.1Very low37.7Very low201 Ų201137 Ų13787%0.87476%0.757SS**  -164.2145.8128.2-145.6104175.7-171.90113
414S35Very low38.2Very low75 Ų75139.3 Ų139.352%0.52476%0.762SS.*  trans-74.9177.4-167.645.50000118.2
415H37.7Very low38.5Very low167 Ų167137.6 Ų137.677%0.77376%0.762SS**  trans88.7141.5158.5-61.5-68.1000116.4
416S33.8Very low39.7Very low92 Ų92132.4 Ų132.464%0.64376%0.756SS**  cis-178.6162.8-12.2-104.50000105.5
417S36.2Very low40.3Very low118 Ų118140 Ų14083%0.82577%0.772SS**  trans71.9112.5151.855.20000120.1
418E39.3Very low41.3Very low176 Ų176147.6 Ų147.682%0.82280%0.796SS**  trans-78.1153.7154.9-60.4178110.400112.5
419T41.8Very low41.6Very low124 Ų124144.1 Ų144.176%0.76179%0.794SS**  trans75162.8152.977.80000118.2
420P51.3Low41.9Very low107 Ų107143.3 Ų143.370%0.69580%0.797SS**  cis-142.5171.55.741.8-22.2000117.2
421V41.4Very low42.3Very low120 Ų120145 Ų14573%0.72780%0.803SS**  trans70.3124.1132.4163.40000123.1
422T44.9Very low42.7Very low137 Ų137142.4 Ų142.484%0.8480%0.798SS**  trans72.6136.6147.652.90000123.6
423G40.9Very low43.1Very low67 Ų67141.5 Ų141.569%0.69180%0.796SS**  trans155.477.216500000110.7
424T47.5Very low43.5Very low135 Ų135137.5 Ų137.583%0.82879%0.791SS**  49.9107.196.5-29.50000114.3
425C40.3Very low44.1Very low127 Ų127142 Ų14286%0.85881%0.81SS**  trans-179.7161134.4-97.30000113.5
426P61.8Low44.6Very low117 Ų117140.1 Ų140.176%0.7681%0.812SS**  trans-114.1168.2-143.241.2-32.3000114.9
427R48.4Very low45.5Very low244 Ų244144.1 Ų144.192%0.92183%0.827SS**  trans-157100.8152.1-113.3-178.5173.7-169.5-2.1107.8
428H52.5Low46.4Very low257 Ų257146.5 Ų146.5100%1.1983%0.827SS**  87.6081.4-135.2-47.1000113.2

Retrieved 428 of 428 residues in 53.8 ms (Link to these results)