A0A077YXF6_TRITR Loading...

Homeobox protein ARX

AlphaFold DB , UniProt , Accession A0A077YXF6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 470 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
1M43.1Very low43.2Very low236 Ų236169.5 Ų169.5100%1.16383%0.834SS**  0118.20-66.2165.2176.900106.7
2T42Very low43.1Very low118 Ų118164.3 Ų164.372%0.72483%0.827SS**  cis-155.5127.9-8.5-33.80000104.3
3T42.9Very low43.2Very low112 Ų112164.5 Ų164.569%0.68783%0.832SS**  34.4126.788.16.60000112.3
4R46.4Very low42.9Very low215 Ų215161.1 Ų161.181%0.81182%0.824SS**  -169.7136.956.2-119.9-176.3-179134.80.6108.5
5H46.4Very low43Very low144 Ų144161.3 Ų161.367%0.66783%0.826SS**  91.7136.194.2-101-135.9000117.2
6M42Very low42.8Very low165 Ų165161.9 Ų161.981%0.81382%0.824SS**  trans79130139.5-68.8176.385.900122
7S37.7Very low43.1Very low106 Ų106160.5 Ų160.574%0.74183%0.825SS**  trans-74.5178.9166.7-35.50000112.7
8M42.5Very low43Very low178 Ų178159.9 Ų159.988%0.87782%0.824SS**  trans77.1137.8176.9-39.3-160.780.600111.2
9E43.8Very low43.5Very low192 Ų192161.3 Ų161.390%0.89783%0.826SS**  cis-117-175.823.6-74.1159.8104.600114.7
10K43.6Very low43.5Very low203 Ų203163.1 Ų163.188%0.88383%0.828SS**  trans-135.477.6-177.1-166.1-177.1-174.7-1740109.4
11E44.4Very low43.4Very low196 Ų196161.1 Ų161.192%0.91682%0.824SS**  trans-78163.2-179-156.7162.8168.800111.8
12S42.3Very low43.2Very low107 Ų107157.6 Ų157.675%0.74880%0.804SS**  trans-114.6116-163-58.20000112.1
13D44.2Very low43.2Very low167 Ų167162.6 Ų162.689%0.89381%0.81SS**  trans-106.4127.1164.5-105.1-45.8000110.6
14T38.8Very low43Very low117 Ų117164.5 Ų164.572%0.71881%0.811SS**  trans-103.9107.4-176.6-62.30000109.6
15L44.7Very low42.9Very low163 Ų163160.1 Ų160.185%0.85381%0.81SS**  trans-109.9122.4166.1-70.2178.1000110.1
16Q40.1Very low42.6Very low171 Ų171158.9 Ų158.980%0.79981%0.812SS**  trans-75.6144.1-179.4-64.3169.5-9.600110.3
17V47.3Very low42.5Very low138 Ų138162.1 Ų162.184%0.83682%0.815SS**  trans-125.8110.2166.2-177.30000107.3E19V17-E19 PolarHBondContact O-N 2.71Å
18D42.6Very low42.8Very low151 Ų151166.4 Ų166.481%0.80782%0.821SS**  trans-70.590.5176.6-94.7-65.7000111K20D18-K20 PolarHBondContact O-N 3.2Å
19E50.9Low42.8Very low185 Ų185166.8 Ų166.886%0.86482%0.82SS**  trans-76.592165.7-165.8176.4113.700109.5V17 V21V17-E19 PolarHBondContact O-N 2.71Å; E19-V21 PolarHBondContact O-N 2.7Å
20K43.5Very low42.6Very low197 Ų197162.7 Ų162.786%0.85781%0.809SS**  trans-63.3120.8-173-172.4173.9179.2179.80112.3D18 E22D18-K20 PolarHBondContact O-N 3.2Å; K20-E22 PolarHBondContact O-N 2.89Å
21V43Very low42.6Very low122 Ų122160 Ų16074%0.73980%0.803SS**  trans-65.5124.1-178.1174.50000112.7E19 R23E19-V21 PolarHBondContact O-N 2.7Å; V21-R23 HydrophobicContact CG1-CG 4.37Å
22E38.5Very low42.4Very low162 Ų162157 Ų15776%0.75779%0.793SS**  trans-13779.2152.4-169.7156.8-16200111.2K20K20-E22 PolarHBondContact O-N 2.89Å
23R41.8Very low42.3Very low223 Ų223154.9 Ų154.984%0.84278%0.783SS**  trans-88101.2172-69.4-174.6-174.3-177.74.1110.4V21 P25V21-R23 HydrophobicContact CG1-CG 4.37Å; R23-P25 VanDerWaalsContact O-CD 3.24Å; R23-P25 WeakPolarHBondContact O-CD 3.09Å
24H39.3Very low42.1Very low153 Ų153153 Ų15371%0.70877%0.772SS**  trans-67.8118.8165.7-84.5-59.7000111.5V26H24-V26 PolarHBondContact O-N 2.93Å
25P44.5Very low42.2Very low123 Ų123152.3 Ų152.380%0.79977%0.772SS**  trans-104.561.4-17838-26.8000111.4R23R23-P25 VanDerWaalsContact O-CD 3.24Å; R23-P25 WeakPolarHBondContact O-CD 3.09Å
26V39.8Very low42.1Very low117 Ų117153.1 Ų153.171%0.70977%0.769SS**  trans-104.5139.2-176.8-165.10000110.6H24H24-V26 PolarHBondContact O-N 2.93Å
27R39.2Very low41.9Very low233 Ų233153.9 Ų153.988%0.87977%0.77SS**SBendtrans71.150.3-178.4-53.7-175.4173.4128.6-3.7117.5
28K43.4Very low41.5Very low197 Ų197149.3 Ų149.386%0.85774%0.743SS**SBendtrans-129.20.5162-78.9-164.6176.6-1770117.4
29Q42.3Very low41.3Very low185 Ų185149.2 Ų149.286%0.86474%0.74SS**SBendtrans-96.2-18.1-176.9-80.1174.4-31.900115.8
30T39.9Very low40.7Very low107 Ų107146.2 Ų146.266%0.65673%0.73SS**SBendtrans-90.8-7.3-167.8-22.20000116
31L44.4Very low40.8Very low146 Ų146141.2 Ų141.276%0.76472%0.72SS**Hα-helixtrans-96.7-25.8-177.4-71.7174.3000114.7
32N40.5Very low40.7Very low132 Ų132141.5 Ų141.571%0.70672%0.716SS**Hα-helixtrans-82.9-8.9179.3-78-11.5000114.3
33A39.9Very low40.8Very low64 Ų64139.1 Ų139.153%0.52971%0.708SS.*Hα-helixtrans-86.6-41.2175.900000112.5S35 K36A33-S35 VanDerWaalsContact C-N 3.34Å; A33-K36 PolarHBondContact O-N 2.93Å
34L39.1Very low40.7Very low128 Ų128132.4 Ų132.467%0.6770%0.7SS**Hα-helixtrans-73.8-26.1-179.5-64.9173.6000112.6K36 F37L34-K36 PolarHBondContact O-N 2.88Å; L34-K36 VanDerWaalsContact O-N 3.09Å; L34-F37 PolarHBondContact O-N 2.6Å
35S41.3Very low40.7Very low102 Ų102128.5 Ų128.571%0.71370%0.701SS**THydrogen-bonded Turntrans-67.9-0.3173.4-166.50000114.8A33A33-S35 VanDerWaalsContact C-N 3.34Å
36K42.9Very low40.3Very low180 Ų180127 Ų12778%0.78369%0.693SS**THydrogen-bonded Turntrans-113.74.9-178.9-71.1-168.2173-170.80114.4A33 L34 S38A33-K36 PolarHBondContact O-N 2.93Å; L34-K36 PolarHBondContact O-N 2.88Å; L34-K36 VanDerWaalsContact O-N 3.09Å; K36-S38 PolarHBondContact O-N 3.24Å
37F35.4Very low40.3Very low187 Ų187130 Ų13082%0.8270%0.699SS**SBendtrans-79.275.3172-100-89.6000111.7L34L34-F37 PolarHBondContact O-N 2.6Å
38S38.7Very low40.3Very low41 Ų41128 Ų12829%0.28770%0.699SS.*  trans36.593.2155.6-159.70000118K36 D40 S41K36-S38 PolarHBondContact O-N 3.24Å; S38-D40 VanDerWaalsContact C-N 3.26Å; S38-S41 VanDerWaalsContact OG-CB 3.24Å; S38-S41 WeakPolarHBondContact OG-CB 3.47Å; S38-S41 PolarHBondContact OG-N 2.85Å; S38-S41 PolarHBondContact OG-OG 3.31Å
39M38.9Very low40Very low149 Ų149126.8 Ų126.873%0.73470%0.701SS**SBendtrans-72.5-25.5155.2-76.1-1756400111.5S41 I42 L43M39-S41 VanDerWaalsContact C-N 3.35Å; M39-S41 PolarHBondContact O-N 3.44Å; M39-I42 PolarHBondContact O-N 2.85Å; M39-L43 PolarHBondContact O-N 3.14Å
40D39.3Very low39.7Very low123 Ų123123.9 Ų123.966%0.65870%0.696SS**Hα-helixtrans-66-36.1-175.4-49.3-76.6000112.1S38 I42 L43 A44S38-D40 VanDerWaalsContact C-N 3.26Å; D40-I42 PolarHBondContact O-N 3.01Å; D40-L43 PolarHBondContact O-N 3.08Å; D40-A44 PolarHBondContact O-N 3.38Å; D40-A44 VanDerWaalsContact O-N 3.13Å
41S44.2Very low39.4Very low91 Ų91127.5 Ų127.564%0.63671%0.705SS**Hα-helixtrans-66.2-16173-620000114.1S38 M39S38-S41 VanDerWaalsContact OG-CB 3.24Å; S38-S41 WeakPolarHBondContact OG-CB 3.47Å; S38-S41 PolarHBondContact OG-N 2.85Å; S38-S41 PolarHBondContact OG-OG 3.31Å; M39-S41 VanDerWaalsContact C-N 3.35Å; M39-S41 PolarHBondContact O-N 3.44Å
42I42.2Very low38.7Very low128 Ų128126.5 Ų126.566%0.65671%0.709SS**Hα-helixtrans-94.1-30.7177.7-58.7177000110.5M39 D40 C46M39-I42 PolarHBondContact O-N 2.85Å; D40-I42 PolarHBondContact O-N 3.01Å; I42-C46 PolarHBondContact O-SG 3.4Å
43L38.8Very low38.8Very low113 Ų113126.5 Ų126.559%0.59272%0.717SS**Hα-helixtrans-73.5-36.7175.7-76.7163.4000112.6M39 D40 G45 C46M39-L43 PolarHBondContact O-N 3.14Å; D40-L43 PolarHBondContact O-N 3.08Å; L43-G45 PolarHBondContact O-N 3.22Å; L43-G45 VanDerWaalsContact O-N 3.1Å; L43-C46 WeakPolarHBondContact O-CB 3.37Å; L43-C46 PolarHBondContact O-N 3.11Å
44A41.6Very low38.4Very low82 Ų82133.1 Ų133.168%0.67874%0.736SS**THydrogen-bonded Turntrans-61.7-17178.800000114.8D40D40-A44 PolarHBondContact O-N 3.38Å; D40-A44 VanDerWaalsContact O-N 3.13Å
45G37.8Very low38.2Very low71 Ų71130 Ų13073%0.73274%0.735SS**THydrogen-bonded Turntrans-92.711.6178.400000115.4L43L43-G45 PolarHBondContact O-N 3.22Å; L43-G45 VanDerWaalsContact O-N 3.1Å
46C36.2Very low37.9Very low92 Ų92134.4 Ų134.462%0.62274%0.744SS**SBendtrans-113.9-2.2-166.9-70.60000116.5I42 L43I42-C46 PolarHBondContact O-SG 3.4Å; L43-C46 WeakPolarHBondContact O-CB 3.37Å; L43-C46 PolarHBondContact O-N 3.11Å
47E40Very low37.6Very low179 Ų179131.7 Ų131.784%0.83674%0.743SS**SBendtrans-94.9-14-172.7-69.3-170.2106.100115.5L49E47-L49 PolarHBondContact O-N 3.46Å
48E40.2Very low37.6Very low191 Ų191131.6 Ų131.689%0.89375%0.745SS**SBendtrans-92.111.3-167.5-143.7-176.5158.200116
49L36.7Very low37.8Very low172 Ų172137.8 Ų137.890%0.90178%0.775SS**  trans-130.954.5179.8-77.4176000113.6E47E47-L49 PolarHBondContact O-N 3.46Å
50V35.1Very low37.9Very low124 Ų124134.4 Ų134.475%0.75277%0.771SS**  trans-128.381.1166.8-173.90000110
51Q33.8Very low38.1Very low182 Ų182138.7 Ų138.785%0.8578%0.784SS**  trans-159.7103.7160.7-160.271.3-22.600112.1
52C30.1Very low37.6Very low126 Ų126138.1 Ų138.185%0.85179%0.792SS**  trans-153.1146.1160.6-96.30000109.1
53P42.2Very low37.6Very low132 Ų132139 Ų13986%0.85780%0.803SS**  trans-79.5167.2-165.332.3-36.9000114.3
54H32.2Very low37.7Very low203 Ų203142.2 Ų142.294%0.9481%0.812SS**  trans-114.4139.8-177.1-146.7-83.5000110.1
55G34.5Very low37.5Very low63 Ų63146.8 Ų146.865%0.64982%0.82SS**  trans104.1151.4178.800000114.2
56E35.5Very low37.7Very low193 Ų193153.3 Ų153.390%0.90283%0.828SS**  cis-141.4-179.9-0.8-66.5-166.4119.300112.2
57T36.2Very low37.7Very low123 Ų123156.8 Ų156.876%0.75584%0.835SS**  trans-41.3145.1-170.447.70000120.6
58E35.9Very low37.6Very low186 Ų186155.6 Ų155.687%0.86983%0.833SS**  trans36.4112.5130.3-51.5-97.5101.100119
59D41.8Very low37.3Very low170 Ų170151.8 Ų151.891%0.90982%0.822SS**  -165.2162.6112.3-139-35.3000112.2
60A42.6Very low37.6Very low79 Ų79150.9 Ų150.965%0.65382%0.817SS**  trans-111.4112.9-167.900000115.2
61K43.3Very low37.8Very low213 Ų213150.3 Ų150.393%0.92681%0.813SS**  trans-162139.8148.3-99131.3-168.61690111.3
62G33.4Very low38.2Very low79 Ų79147.9 Ų147.981%0.81481%0.811SS**  trans-91.2145.4-176.300000114.1
63V42.3Very low39.1Very low146 Ų146149.6 Ų149.689%0.88581%0.807SS**  trans-131145.2170179.50000108.9
64K40Very low39Very low181 Ų181148.2 Ų148.279%0.78780%0.798SS**  trans-94.8154.7180-72.7-177.8178.3177.60112.1
65Q38.9Very low39.1Very low177 Ų177144.9 Ų144.983%0.82780%0.796SS**  trans61.6129.4155.3-70.9165.2-60.300118.6
66K42Very low39.4Very low208 Ų208148.5 Ų148.590%0.90481%0.805SS**  -150.2148.7104.6-108.4163.2-173.6175.60111.9
67Q35.5Very low39.6Very low165 Ų165142.6 Ų142.677%0.77180%0.797SS**  trans-75.6141.5176.9-169.2906.400109.3V69Q67-V69 HydrophobicContact CG-CG2 4.04Å
68I37.7Very low39.9Very low155 Ų155142.4 Ų142.480%0.79580%0.8SS**  trans-119.3128.7156.1-65.6-179.5000107.2I70I68-I70 HydrophobicContact CG2-CG1 4.41Å
69V34.5Very low40.4Very low110 Ų110137.9 Ų137.967%0.66779%0.789SS**  trans-100.5135.9175.71740000107.7Q67Q67-V69 HydrophobicContact CG-CG2 4.04Å
70I41.6Very low40.6Very low154 Ų154139.2 Ų139.279%0.7979%0.79SS**  trans-126.9126.7165-61.3-178.6000107.4I68I68-I70 HydrophobicContact CG2-CG1 4.41Å
71T40.6Very low40.4Very low111 Ų111138.8 Ų138.868%0.68179%0.794SS**  trans-74.8148-173.2-45.30000111.9
72T40.6Very low40.5Very low131 Ų131133.9 Ų133.980%0.80479%0.786SS**  trans-112.8119.3168.853.70000110.2
73E50.9Low40.8Very low163 Ų163136.7 Ų136.776%0.76279%0.788SS**  trans-78.4148.5172.2-67.1-57.214100111.7
74P38.1Very low41.3Very low102 Ų102135.6 Ų135.666%0.66279%0.787SS**  trans-89.2163.7-173.936-36.2000113.8
75C35.4Very low41.1Very low134 Ų134132.7 Ų132.791%0.90579%0.788SS**  trans-131.9148.5166.2-76.40000110
76T40.4Very low41.1Very low138 Ų138130.6 Ų130.685%0.84779%0.791SS**  trans-131.1145.4-160.646.90000114.3
77G40.6Very low41Very low70 Ų70126.1 Ų126.172%0.72279%0.786SS**  trans77.7165.2178.400000115
78S42.2Very low41.3Very low118 Ų118124.2 Ų124.283%0.82579%0.788SS**  cis-172155.8-12.1-94.50000109.8
79S45.8Very low41.5Very low92 Ų92124.5 Ų124.564%0.64379%0.79SS**  cis-170.8166-23.458.90000110.1
80Q46.6Very low42Very low197 Ų197124.6 Ų124.692%0.92179%0.791SS**  trans69.5152.4169.8-53.5179.512.700117.7
81G38.3Very low42.2Very low71 Ų71126 Ų12673%0.73279%0.791SS**  trans160.212.9-177.700000120.1
82S44.3Very low42.3Very low110 Ų110130.3 Ų130.377%0.76980%0.801SS**  trans42.8104.5160.159.60000121.3
83T40.5Very low42.6Very low137 Ų137129.7 Ų129.784%0.8480%0.802SS**  trans2.4135.4134.751.30000120.3
84S53.7Low42.4Very low124 Ų124126.6 Ų126.687%0.86780%0.796SS**  -165.4168.9100.451.60000111.8
85C34.2Very low42.4Very low120 Ų120128.7 Ų128.781%0.81181%0.807SS**  trans-118156.2-166.252.10000113
86C39.3Very low43.2Very low133 Ų133127.6 Ų127.690%0.89980%0.8SS**  trans-167148.2144.5-111.60000112
87S41.3Very low43.2Very low114 Ų114129.4 Ų129.480%0.79781%0.805SS**  trans-93156.2-177.8-61.80000112.5
88P41.3Very low43.2Very low124 Ų124131.4 Ų131.481%0.80581%0.807SS**  trans-85.8144.2-17033.3-35.8000114.2
89L41.7Very low43Very low162 Ų162132.5 Ų132.585%0.84881%0.812SS**  trans-139.5132.4170.1-83.1176.3000114.2
90T44.2Very low42.8Very low111 Ų111133.5 Ų133.568%0.68182%0.82SS**  trans72.6104.315456.60000122.8
91K45.3Very low42.2Very low184 Ų184132.4 Ų132.480%0.881%0.812SS**  60.397.9119.3-61.7171.8-179.7175.60120
92K43.9Very low42.4Very low201 Ų201133.3 Ų133.387%0.87481%0.812SS**  160.6121.9106.8-87.9163-179.9178.60115.1
93S46.5Very low42.1Very low118 Ų118134.2 Ų134.283%0.82581%0.809SS**  trans65.2163.4145.7-123.80000118.8
94P46.2Very low42.2Very low99 Ų99135 Ų13564%0.64381%0.807SS**  -131.6161.3-79.840.4-26.4000114.8
95V39.4Very low41.9Very low146 Ų146134.1 Ų134.189%0.88580%0.8SS**  trans43.2104.4160.7-63.30000118.8
96S51.5Low42.6Very low111 Ų111134.5 Ų134.578%0.77680%0.801SS**  trans-129.9133.6152.855.10000109.8C98S96-C98 PolarHBondContact O-N 3.13Å
97D40.8Very low42.8Very low175 Ų175134.7 Ų134.794%0.93680%0.798SS**  trans-74.1110-177.4-73-64000111.4
98C40.9Very low42.6Very low113 Ų113134.5 Ų134.576%0.76480%0.796SS**  trans-137.192.3173.1-106.70000110S96S96-C98 PolarHBondContact O-N 3.13Å
99C36.8Very low42.5Very low140 Ų140133.8 Ų133.895%0.94680%0.795SS**  trans-131.752.2172.3-82.70000110.8
100S41.5Very low42.4Very low114 Ų114131.5 Ų131.580%0.79779%0.792SS**  trans-89.5122.7167.4-69.60000110.1
101F35.3Very low42.3Very low174 Ų174134.4 Ų134.476%0.76380%0.798SS**  trans40.7103.9148.7-162.3-91.1000118.7D103F101-D103 WeakPolarHBondContact CE1-OD2 2.98Å; F101-D103 WeakPolarHBondContact CZ-OD2 3.49Å
102A42.7Very low41.9Very low89 Ų89132.5 Ų132.574%0.73679%0.792SS**  trans-141.1124.5152.600000109.1
103D36.5Very low41.7Very low129 Ų129129 Ų12969%0.6979%0.787SS**  trans-69.1136.7171.7-72.6-63.8000110.5F101F101-D103 WeakPolarHBondContact CE1-OD2 2.98Å; F101-D103 WeakPolarHBondContact CZ-OD2 3.49Å
104I44.1Very low41.6Very low155 Ų155132.6 Ų132.680%0.79578%0.783SS**  trans-122.794.4169.6-58-179.1000108.3
105S46.1Very low41.1Very low105 Ų105137.4 Ų137.473%0.73479%0.794SS**  trans-65.8124.6162.8-65.40000109.2V107S105-V107 PolarHBondContact O-N 3.48Å; S105-V107 VanDerWaalsContact O-N 3.08Å
106P49.9Very low41Very low127 Ų127135.2 Ų135.283%0.82578%0.784SS**  trans-76.399.4177.730.2-33000110.1
107V42.1Very low40.4Very low138 Ų138133 Ų13384%0.83678%0.778SS**  trans-76.7143.9167.368.10000110.2S105 S109S105-V107 PolarHBondContact O-N 3.48Å; S105-V107 VanDerWaalsContact O-N 3.08Å; V107-S109 PolarHBondContact O-N 2.9Å
108S38.2Very low40.9Very low109 Ų109132.4 Ų132.476%0.76277%0.773SS**  trans-64.5127.2-175.1175.10000113.4
109S40Very low41.1Very low110 Ų110134.4 Ų134.477%0.76977%0.769SS**  trans-146.5143.5145.9-167.40000110V107V107-S109 PolarHBondContact O-N 2.9Å
110S38.4Very low41.7Very low113 Ų113134.1 Ų134.179%0.7976%0.763SS**  trans-106.289.1-169.3-61.20000111.5
111E42.7Very low42Very low172 Ų172135.7 Ų135.780%0.80476%0.758SS**  trans-121.2109.7170.1-67.2-159.6121.300111.9T113E111-T113 VanDerWaalsContact C-N 3.31Å; E111-T113 PolarHBondContact O-N 2.84Å
112E37.2Very low42.7Very low144 Ų144134.6 Ų134.667%0.67376%0.76SS**  trans-82.269.3-175.3-168.3-175.996.300111R114E112-R114 VanDerWaalsContact C-N 3.25Å; E112-R114 HydrophobicContact CG-CG 4.15Å; E112-R114 PolarHBondContact O-N 3.07Å; E112-R114 IonicContact OE1-CZ 3.92Å; E112-R114 IonicContact OE1-NE 2.88Å; E112-R114 PolarHBondContact OE1-NE 3.03Å; E112-R114 IonicContact OE1-NH2 3.9Å; E112-R114 PolarHBondContact OE1-NH2 3.02Å
113T39.1Very low43.2Very low127 Ų127139.5 Ų139.578%0.77977%0.768SS**  trans-72.180.6177.8-53.40000111.1E111 F115E111-T113 VanDerWaalsContact C-N 3.31Å; E111-T113 PolarHBondContact O-N 2.84Å; T113-F115 PolarHBondContact O-N 3.13Å
114R43.8Very low43.8Very low194 Ų194139 Ų13973%0.73278%0.775SS**  trans-62.9101.5172.1-54.7179.3-160.5140.78.7109.4E112 C116E112-R114 VanDerWaalsContact C-N 3.25Å; E112-R114 HydrophobicContact CG-CG 4.15Å; E112-R114 PolarHBondContact O-N 3.07Å; E112-R114 IonicContact OE1-CZ 3.92Å; E112-R114 IonicContact OE1-NE 2.88Å; E112-R114 PolarHBondContact OE1-NE 3.03Å; E112-R114 IonicContact OE1-NH2 3.9Å; E112-R114 PolarHBondContact OE1-NH2 3.02Å; R114-C116 PolarHBondContact O-N 2.87Å
115F36.9Very low44.2Very low201 Ų201135.9 Ų135.988%0.88277%0.772SS**  trans-74.370.7166.2-166.9-98.3000110.1T113T113-F115 PolarHBondContact O-N 3.13Å
116C36Very low44.3Very low100 Ų100140.3 Ų140.368%0.67678%0.781SS**  trans-89.7110.2171.9-162.70000107.9R114 I118R114-C116 PolarHBondContact O-N 2.87Å; C116-I118 PolarHBondContact O-N 3.42Å
117G39.2Very low44.6Very low64 Ų64137.5 Ų137.566%0.6678%0.775SS**  trans-66.7102.4175.800000110.3
118I51.1Low45.3Very low162 Ų162138.1 Ų138.183%0.83177%0.769SS**  trans-67.8139.5174-64.2179.1000108.8C116C116-I118 PolarHBondContact O-N 3.42Å
119K44.7Very low46.3Very low155 Ų155138.6 Ų138.667%0.67476%0.763SS**  trans-69.4149.5-176.5-49174.1-177.7172.50111.7E121K119-E121 HydrophobicContact CB-CG 3.97Å; K119-E121 HydrophobicContact CD-CG 3.8Å; K119-E121 WeakPolarHBondContact CD-OE1 3.49Å; K119-E121 WeakPolarHBondContact CE-OE1 3.41Å; K119-E121 IonicContact NZ-OE1 3.81Å; K119-E121 PolarHBondContact NZ-OE1 2.95Å
120T50.6Low47.7Very low134 Ų134139.6 Ų139.682%0.82275%0.753SS**  trans-104.5124.2144.547.30000107.2
121E47.7Very low48.9Very low147 Ų147139.9 Ų139.969%0.68775%0.753SS**  trans-107.494.6179.2-63.5-174.3150.700108.5K119K119-E121 HydrophobicContact CB-CG 3.97Å; K119-E121 HydrophobicContact CD-CG 3.8Å; K119-E121 WeakPolarHBondContact CD-OE1 3.49Å; K119-E121 WeakPolarHBondContact CE-OE1 3.41Å; K119-E121 IonicContact NZ-OE1 3.81Å; K119-E121 PolarHBondContact NZ-OE1 2.95Å
122D49.5Very low49.9Very low152 Ų152140.8 Ų140.881%0.81375%0.749SS**  trans-133.8138.2175.4-78.9-67.2000109
123E54Low50.9Low191 Ų191143.7 Ų143.789%0.89376%0.759SS**  trans-86.5134.4-172.5-60-161.3111.900113.4
124S48.7Very low52.5Low119 Ų119144.4 Ų144.483%0.83276%0.763SS**  trans172.8143.3132.5-81.70000114
125A52.7Low53.1Low89 Ų89146.4 Ų146.474%0.73677%0.771SS**  trans56.897.5152.200000120.3G127A125-G127 PolarHBondContact O-N 2.95Å
126E48.9Very low54.3Low199 Ų199141.6 Ų141.693%0.9375%0.747SS**  32.174.3128-60-57.6121.600117.7
127G55.3Low55.4Low68 Ų68140 Ų14070%0.70174%0.737SS**  trans-110.9121.617700000113.8A125 D129A125-G127 PolarHBondContact O-N 2.95Å; G127-D129 PolarHBondContact O-N 3.36Å
128E57.5Low56.8Low151 Ų151147.9 Ų147.971%0.70675%0.747SS**  trans-69.980.9-174.1-163.9-147.4135.200114K130E128-K130 PolarHBondContact O-N 2.82Å; E128-K130 WeakPolarHBondContact OE1-CE 3.48Å; E128-K130 WeakPolarHBondContact OE1-CG 3.44Å; E128-K130 IonicContact OE1-NZ 2.7Å; E128-K130 PolarHBondContact OE1-NZ 3.39Å; E128-K130 IonicContact OE2-NZ 2.71Å; E128-K130 PolarHBondContact OE2-NZ 3.26Å
129D58.4Low58Low119 Ų119142.6 Ų142.664%0.63672%0.722SS**  trans-74.286.2-176.5-159.68000112.9G127 R132G127-D129 PolarHBondContact O-N 3.36Å; D129-R132 IonicContact OD1-CZ 2.81Å; D129-R132 IonicContact OD1-NH1 3.77Å; D129-R132 PolarHBondContact OD1-NH1 3.48Å; D129-R132 IonicContact OD2-NH1 3.69Å
130K68.7Low59.8Low130 Ų130141.3 Ų141.357%0.56573%0.727SS**  trans-60.4122.1177.3-66.3170.1179.463.10110.4E128 R132E128-K130 PolarHBondContact O-N 2.82Å; E128-K130 WeakPolarHBondContact OE1-CE 3.48Å; E128-K130 WeakPolarHBondContact OE1-CG 3.44Å; E128-K130 IonicContact OE1-NZ 2.7Å; E128-K130 PolarHBondContact OE1-NZ 3.39Å; E128-K130 IonicContact OE2-NZ 2.71Å; E128-K130 PolarHBondContact OE2-NZ 3.26Å; K130-R132 PolarHBondContact O-N 3.09Å
131P65.3Low61.4Low119 Ų119137.2 Ų137.277%0.77370%0.698SS**  trans-61.8112.9-169.921.8-33.3000112.5K133P131-K133 PolarHBondContact O-N 3.38Å
132R63.4Low63.5Low191 Ų191133.7 Ų133.772%0.72169%0.687SS**  trans-60.3110.7178.7-71.5-176.8-78-72.22.3109.7D129 K130 V134D129-R132 IonicContact OD1-CZ 2.81Å; D129-R132 IonicContact OD1-NH1 3.77Å; D129-R132 PolarHBondContact OD1-NH1 3.48Å; D129-R132 IonicContact OD2-NH1 3.69Å; K130-R132 PolarHBondContact O-N 3.09Å; R132-V134 PolarHBondContact O-N 3.13Å
133K58.6Low65.5Low205 Ų205131.2 Ų131.289%0.89168%0.677SS**  trans-58.1103.1-172.2-76156.8-179.5164.10111.4P131 R135P131-K133 PolarHBondContact O-N 3.38Å; K133-R135 PolarHBondContact O-N 2.81Å
134V71.7Confident67.4Low143 Ų143128.6 Ų128.687%0.86766%0.66SS**  trans-60.7103.9-177.9179.60000110.1R132 R136R132-V134 PolarHBondContact O-N 3.13Å; V134-R136 PolarHBondContact O-N 3.11Å
135R55.7Low69.5Low236 Ų236124 Ų12489%0.89163%0.625SS**PPolyproline II helixtrans-64.3123.8172.4178.9176.8168.7128.8-2.9108.6K133K133-R135 PolarHBondContact O-N 2.81Å
136R62.3Low71.4Confident100 Ų100123 Ų12338%0.37761%0.607SS.*PPolyproline II helixtrans-55.9137.8-173.9-171.3168.3-59.4118.313113.1V134 R138 R177 V178 Q179V134-R136 PolarHBondContact O-N 3.11Å; R136-R138 PolarHBondContact O-N 3.39Å; R136-R177 WeakPolarHBondContact CD-O 3.36Å; R136-V178 WeakPolarHBondContact CD-O 3.41Å; R136-V178 VanDerWaalsContact CZ-O 3.27Å; R136-V178 VanDerWaalsContact NE-CG1 3.32Å; R136-V178 PolarHBondContact NE-O 2.85Å; R136-V178 VanDerWaalsContact NE-O 3.16Å; R136-V178 PolarHBondContact NH1-O 3.4Å; R136-Q179 PolarHBondContact NH1-O 2.92Å
137S60Low73.6Confident67 Ų67119.2 Ų119.247%0.46959%0.589SS.*PPolyproline II helixtrans-53.7127.1173.1-35.70000110.6
138R68.9Low75.4Confident229 Ų229118.2 Ų118.286%0.86457%0.566SS**PPolyproline II helixtrans-68.1136.7172-177.5179.3-175.1161.33109.2R136 T140R136-R138 PolarHBondContact O-N 3.39Å; R138-T140 PolarHBondContact O-N 3.48Å
139T75.9Confident77.2Confident51 Ų51111 Ų11131%0.31353%0.533SS..PPolyproline II helixtrans-65.2122.517351.90000110.8L212T139-L212 HydrophobicContact CG2-CD1 4Å; T139-L212 HydrophobicContact CG2-CD2 3.8Å
140T81.2Confident78.9Confident127 Ų127107.2 Ų107.278%0.77951%0.511SS*.PPolyproline II helixtrans-101.8125.5174.948.40000109.6R138R138-T140 PolarHBondContact O-N 3.48Å
141F85.1Confident80.2Confident48 Ų48108.2 Ų108.221%0.21151%0.511CS..PPolyproline II helixtrans-84.5143.3172.2-61.9-95.5000109.3Q145 L146 L149 L173 W216F141-Q145 HydrophobicContact CB-CB 4.36Å; F141-L146 HydrophobicContact CB-CD1 4.43Å; F141-L146 HydrophobicContact CB-CD2 3.68Å; F141-L146 HydrophobicContact CB-CG 3.72Å; F141-L146 HydrophobicContact CD2-CD2 4.42Å; F141-L146 HydrophobicContact CG-CD2 4.11Å; F141-L149 HydrophobicContact CD1-CD1 3.67Å; F141-L149 HydrophobicContact CE1-CD1 3.78Å; F141-L173 HydrophobicContact CD1-CD1 4.17Å; F141-L173 HydrophobicContact CD1-CD2 3.55Å; F141-L173 HydrophobicContact CE1-CD1 3.94Å; F141-L173 HydrophobicContact CE1-CD2 3.75Å; F141-W216 AromaticContact CE2-CD1 3.83Å; F141-W216 HydrophobicContact CZ-CB 4.1Å; F141-W216 AromaticContact CZ-CD1 3.86Å; F141-W216 HydrophobicContact CZ-CG 4.33Å
142T90.9Very high81.5Confident74 Ų74103 Ų10345%0.45448%0.478SS..PPolyproline II helixtrans-71.9160170.971.40000110.9Y144 Q145 L146T142-Y144 VanDerWaalsContact C-N 3.25Å; T142-Y144 PolarHBondContact O-N 3.14Å; T142-Q145 PolarHBondContact O-N 3.39Å; T142-Q145 VanDerWaalsContact O-N 3.1Å; T142-Q145 VanDerWaalsContact OG1-CG 3.3Å; T142-Q145 WeakPolarHBondContact OG1-CG 3.39Å; T142-Q145 PolarHBondContact OG1-N 2.95Å; T142-Q145 PolarHBondContact OG1-OE1 2.71Å; T142-L146 WeakPolarHBondContact O-CG 3.48Å; T142-L146 PolarHBondContact O-N 3.19Å
143T92.7Very high83Confident99 Ų9994.4 Ų94.461%0.60745%0.446SS*.Hα-helixtrans-56-40.9176.3-46.20000111.8L146 H147T143-L146 PolarHBondContact O-N 3.46Å; T143-H147 PolarHBondContact O-CD2 2.85Å; T143-H147 VanDerWaalsContact O-CD2 3.29Å; T143-H147 VanDerWaalsContact O-CG 3.31Å; T143-H147 PolarHBondContact O-N 2.69Å
144Y93.3Very high84.8Confident136 Ų13691.5 Ų91.553%0.53344%0.435SS..Hα-helixtrans-59.4-50.3173.3176.7-91.5000112.1T142 L146 H147 Q148 L171T142-Y144 VanDerWaalsContact C-N 3.25Å; T142-Y144 PolarHBondContact O-N 3.14Å; Y144-L146 VanDerWaalsContact C-N 3.29Å; Y144-L146 PolarHBondContact O-N 2.99Å; Y144-H147 PolarHBondContact O-N 3.09Å; Y144-Q148 HydrophobicContact CD1-CG 4.3Å; Y144-Q148 HydrophobicContact CE1-CG 3.9Å; Y144-Q148 HydrophobicContact CE2-CG 4.29Å; Y144-Q148 WeakPolarHBondContact O-CG 3.23Å; Y144-Q148 PolarHBondContact O-N 2.78Å; Y144-Q148 PolarHBondContact OH-NE2 2.79Å; Y144-L171 HydrophobicContact CE1-CD2 4.1Å
145Q92.3Very high85.8Confident23 Ų2393.7 Ų93.711%0.10743%0.433CS..Hα-helixtrans-60.3-40178.4-71.1167.2-19.400111.5F141 T142 L149 L171 L173F141-Q145 HydrophobicContact CB-CB 4.36Å; T142-Q145 PolarHBondContact O-N 3.39Å; T142-Q145 VanDerWaalsContact O-N 3.1Å; T142-Q145 VanDerWaalsContact OG1-CG 3.3Å; T142-Q145 WeakPolarHBondContact OG1-CG 3.39Å; T142-Q145 PolarHBondContact OG1-N 2.95Å; T142-Q145 PolarHBondContact OG1-OE1 2.71Å; Q145-L149 WeakPolarHBondContact O-CB 3.5Å; Q145-L149 WeakPolarHBondContact O-CD1 3.27Å; Q145-L149 WeakPolarHBondContact O-CG 3.21Å; Q145-L149 PolarHBondContact O-N 3.34Å; Q145-L171 HydrophobicContact CG-CB 4.31Å; Q145-L171 PolarHBondContact NE2-O 3.02Å; Q145-L173 VanDerWaalsContact CD-CD2 3.48Å; Q145-L173 HydrophobicContact CG-CD2 4.35Å; Q145-L173 HydrophobicContact CG-CG 4.4Å
146L93.6Very high87.6Confident69 Ų6984.2 Ų84.236%0.36140%0.403SS..Hα-helixtrans-63.9-44.5175.1-70.4173.9000112.3F141 T142 T143 Y144 Q148 L149 E150F141-L146 HydrophobicContact CB-CD1 4.43Å; F141-L146 HydrophobicContact CB-CD2 3.68Å; F141-L146 HydrophobicContact CB-CG 3.72Å; F141-L146 HydrophobicContact CD2-CD2 4.42Å; F141-L146 HydrophobicContact CG-CD2 4.11Å; T142-L146 WeakPolarHBondContact O-CG 3.48Å; T142-L146 PolarHBondContact O-N 3.19Å; T143-L146 PolarHBondContact O-N 3.46Å; Y144-L146 VanDerWaalsContact C-N 3.29Å; Y144-L146 PolarHBondContact O-N 2.99Å; L146-Q148 PolarHBondContact O-N 3.02Å; L146-L149 PolarHBondContact O-N 2.94Å; L146-E150 WeakPolarHBondContact O-CB 3.49Å; L146-E150 PolarHBondContact O-N 3.45Å
147H94.6Very high89.1Confident118 Ų11882 Ų8255%0.54640%0.397SS..Hα-helixtrans-62.4-40.7178.1-71.2-171.8000112.2T143 Y144 E150 R151T143-H147 PolarHBondContact O-CD2 2.85Å; T143-H147 VanDerWaalsContact O-CD2 3.29Å; T143-H147 VanDerWaalsContact O-CG 3.31Å; T143-H147 PolarHBondContact O-N 2.69Å; Y144-H147 PolarHBondContact O-N 3.09Å; H147-E150 PolarHBondContact O-N 2.87Å; H147-R151 WeakPolarHBondContact O-CG 3.41Å; H147-R151 PolarHBondContact O-N 2.95Å
148Q93.5Very high90.7Very high47 Ų4785.5 Ų85.522%0.2240%0.401CS..Hα-helixtrans-72.8-36177.9-60-66.87.300112.7Y144 L146 E150 A152 L171Y144-Q148 HydrophobicContact CD1-CG 4.3Å; Y144-Q148 HydrophobicContact CE1-CG 3.9Å; Y144-Q148 HydrophobicContact CE2-CG 4.29Å; Y144-Q148 WeakPolarHBondContact O-CG 3.23Å; Y144-Q148 PolarHBondContact O-N 2.78Å; Y144-Q148 PolarHBondContact OH-NE2 2.79Å; L146-Q148 PolarHBondContact O-N 3.02Å; Q148-E150 VanDerWaalsContact C-N 3.3Å; Q148-A152 WeakPolarHBondContact O-CB 3.34Å; Q148-A152 PolarHBondContact O-N 2.77Å; Q148-L171 HydrophobicContact CB-CD1 4.31Å; Q148-L171 HydrophobicContact CB-CD2 3.39Å; Q148-L171 HydrophobicContact CB-CG 4.48Å; Q148-L171 HydrophobicContact CG-CD2 3.68Å
149L94.1Very high91.8Very high1 Ų174.7 Ų74.71%0.00536%0.36CS..Hα-helixtrans-64.7-34.7171.9-73.5166.7000111.8F141 Q145 L146 A152 F153 L171 W216 F217F141-L149 HydrophobicContact CD1-CD1 3.67Å; F141-L149 HydrophobicContact CE1-CD1 3.78Å; Q145-L149 WeakPolarHBondContact O-CB 3.5Å; Q145-L149 WeakPolarHBondContact O-CD1 3.27Å; Q145-L149 WeakPolarHBondContact O-CG 3.21Å; Q145-L149 PolarHBondContact O-N 3.34Å; L146-L149 PolarHBondContact O-N 2.94Å; L149-A152 PolarHBondContact O-N 2.84Å; L149-F153 WeakPolarHBondContact O-CB 3.3Å; L149-F153 PolarHBondContact O-N 3.47Å; L149-L171 HydrophobicContact CD2-CD1 3.92Å; L149-L171 HydrophobicContact CG-CD1 3.8Å; L149-W216 VanDerWaalsContact C-CH2 3.5Å; L149-W216 HydrophobicContact CB-CD2 4.02Å; L149-W216 HydrophobicContact CB-CE3 4.06Å; L149-W216 HydrophobicContact CB-CH2 3.73Å; L149-W216 HydrophobicContact CB-CZ2 3.64Å; L149-W216 HydrophobicContact CB-CZ3 3.93Å; L149-W216 HydrophobicContact CD1-CD2 4.01Å; L149-W216 HydrophobicContact CD1-CG 3.99Å; L149-W216 HydrophobicContact CD2-CD2 4.46Å; L149-W216 HydrophobicContact CD2-CE3 4.32Å; L149-W216 HydrophobicContact CG-CD2 4.39Å; L149-W216 WeakPolarHBondContact O-CH2 3.26Å; L149-W216 WeakPolarHBondContact O-CZ3 3.19Å; L149-F217 HydrophobicContact CD2-CE2 3.95Å
150E95.7Very high92.5Very high38 Ų3876.7 Ų76.718%0.17837%0.369CS..Hα-helixtrans-70.6-47.8175.2-158.164.3-117.400112L146 H147 Q148 A152 F153 E154 R220L146-E150 WeakPolarHBondContact O-CB 3.49Å; L146-E150 PolarHBondContact O-N 3.45Å; H147-E150 PolarHBondContact O-N 2.87Å; Q148-E150 VanDerWaalsContact C-N 3.3Å; E150-A152 PolarHBondContact O-N 3.31Å; E150-A152 VanDerWaalsContact O-N 3.17Å; E150-F153 CarbonylContact O-C 3.58Å; E150-F153 WeakPolarHBondContact O-CA 3.35Å; E150-F153 WeakPolarHBondContact O-CB 3.12Å; E150-F153 PolarHBondContact O-N 3.31Å; E150-F153 WeakPolarHBondContact OE1-CD1 3.22Å; E150-E154 WeakPolarHBondContact O-CG 3.18Å; E150-E154 PolarHBondContact O-N 2.67Å; E150-R220 VanDerWaalsContact CD-NE 3.29Å; E150-R220 IonicContact OE1-CZ 2.86Å; E150-R220 IonicContact OE1-NE 2.89Å; E150-R220 PolarHBondContact OE1-NE 3.47Å; E150-R220 IonicContact OE1-NH1 3.7Å; E150-R220 IonicContact OE1-NH2 2.77Å; E150-R220 PolarHBondContact OE1-NH2 3.35Å; E150-R220 WeakPolarHBondContact OE2-CD 3.44Å; E150-R220 IonicContact OE2-CZ 2.81Å; E150-R220 IonicContact OE2-NE 2.7Å; E150-R220 PolarHBondContact OE2-NE 2.68Å; E150-R220 IonicContact OE2-NH1 2.79Å; E150-R220 PolarHBondContact OE2-NH1 2.83Å; E150-R220 IonicContact OE2-NH2 3.28Å; E150-R220 PolarHBondContact OE2-NH2 2.8Å
151R94.6Very high92.7Very high152 Ų15273.9 Ų73.957%0.57435%0.352SS*.Hα-helixtrans-54.4-35.1171.4-74.2173172.8-168.2-4.3112.7H147 E154 K155H147-R151 WeakPolarHBondContact O-CG 3.41Å; H147-R151 PolarHBondContact O-N 2.95Å; R151-E154 WeakPolarHBondContact CA-OE2 3.46Å; R151-K155 WeakPolarHBondContact O-CG 3.3Å; R151-K155 PolarHBondContact O-N 2.8Å
152A93.8Very high92.9Very high8 Ų878 Ų787%0.06637%0.37CS..Hα-helixtrans-73.2-33.8174.400000113.3Q148 L149 E150 S156 L167 F217Q148-A152 WeakPolarHBondContact O-CB 3.34Å; Q148-A152 PolarHBondContact O-N 2.77Å; L149-A152 PolarHBondContact O-N 2.84Å; E150-A152 PolarHBondContact O-N 3.31Å; E150-A152 VanDerWaalsContact O-N 3.17Å; A152-S156 PolarHBondContact O-N 2.72Å; A152-S156 VanDerWaalsContact O-O 3.09Å; A152-S156 PolarHBondContact O-OG 3.04Å; A152-L167 HydrophobicContact CB-CD1 3.45Å; A152-L167 VanDerWaalsContact CB-CD1 3.45Å; A152-L167 HydrophobicContact CB-CD2 3.83Å; A152-L167 HydrophobicContact CB-CG 4.31Å; A152-F217 HydrophobicContact CB-CZ 4.02Å
153F95.3Very high92.7Very high11 Ų1177.1 Ų77.15%0.04836%0.364CS..Hα-helixtrans-70.5-37.7175.7-175.4-99.7000112.6L149 E150 S156 Q157 W216 F217 R220 R221 W224L149-F153 WeakPolarHBondContact O-CB 3.3Å; L149-F153 PolarHBondContact O-N 3.47Å; E150-F153 CarbonylContact O-C 3.58Å; E150-F153 WeakPolarHBondContact O-CA 3.35Å; E150-F153 WeakPolarHBondContact O-CB 3.12Å; E150-F153 PolarHBondContact O-N 3.31Å; E150-F153 WeakPolarHBondContact OE1-CD1 3.22Å; F153-S156 WeakPolarHBondContact CA-O 3.21Å; F153-S156 CarbonylContact O-C 3.14Å; F153-S156 PolarHBondContact O-N 2.8Å; F153-Q157 HydrophobicContact CD2-CB 4.38Å; F153-Q157 HydrophobicContact CD2-CG 4.47Å; F153-Q157 HydrophobicContact CE1-CG 4.09Å; F153-Q157 HydrophobicContact CE2-CB 3.81Å; F153-Q157 HydrophobicContact CE2-CG 3.89Å; F153-Q157 HydrophobicContact CZ-CB 4.09Å; F153-Q157 HydrophobicContact CZ-CG 3.67Å; F153-Q157 PolarHBondContact O-N 3.15Å; F153-W216 HydrophobicContact CB-CH2 4.1Å; F153-W216 HydrophobicContact CB-CZ3 4.07Å; F153-W216 HydrophobicContact CD2-CZ3 4.43Å; F153-F217 HydrophobicContact CB-CE1 4.11Å; F153-F217 AromaticContact CD2-CD1 3.95Å; F153-F217 HydrophobicContact CD2-CD1 3.95Å; F153-F217 HydrophobicContact CD2-CE1 4.04Å; F153-R220 HydrophobicContact CB-CG 4.41Å; F153-R220 HydrophobicContact CD1-CG 3.72Å; F153-R220 HydrophobicContact CD2-CB 4.09Å; F153-R220 HydrophobicContact CD2-CG 3.52Å; F153-R220 HydrophobicContact CE1-CG 3.78Å; F153-R220 HydrophobicContact CE2-CB 4.05Å; F153-R220 HydrophobicContact CE2-CG 3.59Å; F153-R220 HydrophobicContact CG-CG 3.6Å; F153-R220 HydrophobicContact CZ-CG 3.73Å; F153-R221 HydrophobicContact CE2-CG 3.72Å; F153-R221 HydrophobicContact CZ-CG 4.29Å; F153-W224 HydrophobicContact CE1-CB 4.47Å; F153-W224 HydrophobicContact CZ-CB 4.11Å; F153-W224 HydrophobicContact CZ-CG 4.34Å
154E94.9Very high92.5Very high144 Ų14474.7 Ų74.767%0.67334%0.344SS*.Hα-helixtrans-62.1-46.4172.5-70.2163.5174.700111E150 R151E150-E154 WeakPolarHBondContact O-CG 3.18Å; E150-E154 PolarHBondContact O-N 2.67Å; R151-E154 WeakPolarHBondContact CA-OE2 3.46Å
155K94.1Very high92.2Very high189 Ų18972.5 Ų72.582%0.82234%0.339SS*.Hα-helixtrans-65.6-37.5173.5-71.2-178.1-179.8-166.40113.1R151R151-K155 WeakPolarHBondContact O-CG 3.3Å; R151-K155 PolarHBondContact O-N 2.8Å
156S92.9Very high92.1Very high37 Ų3774.9 Ų74.926%0.25935%0.35SS..  trans-157.4118.9177.962.30000112.2A152 F153 Y158 P159A152-S156 PolarHBondContact O-N 2.72Å; A152-S156 VanDerWaalsContact O-O 3.09Å; A152-S156 PolarHBondContact O-OG 3.04Å; F153-S156 WeakPolarHBondContact CA-O 3.21Å; F153-S156 CarbonylContact O-C 3.14Å; F153-S156 PolarHBondContact O-N 2.8Å; S156-Y158 PolarHBondContact O-N 2.65Å; S156-P159 WeakPolarHBondContact O-CD 3.41Å
157Q93.7Very high91.8Very high53 Ų5372.7 Ų72.725%0.24834%0.339CS..SBendtrans-69-20.8173.5-60.7-1696.700112.7F153 R221 W224F153-Q157 HydrophobicContact CD2-CB 4.38Å; F153-Q157 HydrophobicContact CD2-CG 4.47Å; F153-Q157 HydrophobicContact CE1-CG 4.09Å; F153-Q157 HydrophobicContact CE2-CB 3.81Å; F153-Q157 HydrophobicContact CE2-CG 3.89Å; F153-Q157 HydrophobicContact CZ-CB 4.09Å; F153-Q157 HydrophobicContact CZ-CG 3.67Å; F153-Q157 PolarHBondContact O-N 3.15Å; Q157-R221 WeakPolarHBondContact O-CD 3.46Å; Q157-R221 PolarHBondContact O-NH1 3.37Å; Q157-W224 VanDerWaalsContact NE2-CE2 3.3Å
158Y94Very high91.4Very high141 Ų14168 Ų6855%0.55332%0.32SS*.SBendtrans-129.570.2-179.7-61.4-93.8000109.7S156 R225S156-Y158 PolarHBondContact O-N 2.65Å; Y158-R225 PolarHBondContact OH-NH2 3.46Å
159P90.7Very high90.9Very high2 Ų272.8 Ų72.81%0.01334%0.344CS..  trans-61.8147.3178.327.3-35.8000110.6S156 T163 R164 F217S156-P159 WeakPolarHBondContact O-CD 3.41Å; P159-T163 HydrophobicContact CB-CG2 3.91Å; P159-R164 HydrophobicContact CB-CG 4.12Å; P159-R164 HydrophobicContact CG-CG 3.83Å; P159-R164 PolarHBondContact O-NE 3.42Å; P159-R164 PolarHBondContact O-NH2 3.02Å; P159-F217 HydrophobicContact CG-CD1 3.8Å; P159-F217 HydrophobicContact CG-CD2 4.2Å; P159-F217 HydrophobicContact CG-CE1 3.59Å; P159-F217 HydrophobicContact CG-CE2 4.03Å; P159-F217 HydrophobicContact CG-CG 4.12Å; P159-F217 HydrophobicContact CG-CZ 3.73Å
160D91Very high90.5Very high94 Ų9480 Ų8050%0.50337%0.371SS..  trans-69.7169.3176.2178.951.8000112.5F162 T163 R164D160-F162 PolarHBondContact O-N 3.38Å; D160-F162 PolarHBondContact OD2-N 3.32Å; D160-T163 PolarHBondContact O-N 2.83Å; D160-R164 WeakPolarHBondContact O-CB 3.2Å; D160-R164 VanDerWaalsContact O-CG 3.24Å; D160-R164 WeakPolarHBondContact O-CG 3.5Å; D160-R164 PolarHBondContact O-N 3.33Å
161V86.6Confident90.1Very high68 Ų6878.6 Ų78.641%0.41237%0.365SS..Hα-helixtrans-50.8-51.4171.6630000111.6T163 R164 E165 F210V161-T163 PolarHBondContact O-N 3.45Å; V161-R164 WeakPolarHBondContact O-CB 3.29Å; V161-R164 PolarHBondContact O-N 2.94Å; V161-E165 WeakPolarHBondContact CG2-OE1 3.37Å; V161-E165 WeakPolarHBondContact O-CG 3.34Å; V161-E165 PolarHBondContact O-N 2.71Å; V161-F210 HydrophobicContact CG2-CE2 4.04Å
162F88.1Confident89.4Confident135 Ų13578.1 Ų78.159%0.59237%0.374SS*.Hα-helixtrans-66.5-39.5-178.5-179.2-104.7000112D160 R164 E165 Q166D160-F162 PolarHBondContact O-N 3.38Å; D160-F162 PolarHBondContact OD2-N 3.32Å; F162-R164 VanDerWaalsContact C-N 3.33Å; F162-R164 PolarHBondContact O-N 3.1Å; F162-E165 PolarHBondContact O-N 2.8Å; F162-Q166 PolarHBondContact O-N 2.92Å
163T87.8Confident88.5Confident54 Ų5478.7 Ų78.733%0.33138%0.376SS..Hα-helixtrans-62.4-41175.2-43.60000111.4P159 D160 V161 E165 L167P159-T163 HydrophobicContact CB-CG2 3.91Å; D160-T163 PolarHBondContact O-N 2.83Å; V161-T163 PolarHBondContact O-N 3.45Å; T163-E165 VanDerWaalsContact C-N 3.31Å; T163-E165 PolarHBondContact O-N 3.1Å; T163-L167 HydrophobicContact CG2-CD1 4.13Å; T163-L167 WeakPolarHBondContact O-CB 3.41Å; T163-L167 WeakPolarHBondContact O-CD1 3.26Å; T163-L167 WeakPolarHBondContact O-CG 3.29Å; T163-L167 PolarHBondContact O-N 3.07Å
164R88.8Confident86.9Confident49 Ų4982 Ų8219%0.18540%0.4CS..Hα-helixtrans-65.9-33.3175.8-70.9172.1-150.8171.113.2112.2P159 D160 V161 F162 L167 A168 F210P159-R164 HydrophobicContact CB-CG 4.12Å; P159-R164 HydrophobicContact CG-CG 3.83Å; P159-R164 PolarHBondContact O-NE 3.42Å; P159-R164 PolarHBondContact O-NH2 3.02Å; D160-R164 WeakPolarHBondContact O-CB 3.2Å; D160-R164 VanDerWaalsContact O-CG 3.24Å; D160-R164 WeakPolarHBondContact O-CG 3.5Å; D160-R164 PolarHBondContact O-N 3.33Å; V161-R164 WeakPolarHBondContact O-CB 3.29Å; V161-R164 PolarHBondContact O-N 2.94Å; F162-R164 VanDerWaalsContact C-N 3.33Å; F162-R164 PolarHBondContact O-N 3.1Å; R164-L167 CarbonylContact O-C 3.55Å; R164-A168 WeakPolarHBondContact O-CA 3.17Å; R164-A168 WeakPolarHBondContact O-CB 3.3Å; R164-A168 PolarHBondContact O-N 3.2Å; R164-F210 HydrophobicContact CB-CE2 4.37Å
165E86.6Confident85Confident90 Ų9080.5 Ų80.542%0.42139%0.393SS..Hα-helixtrans-75.6-41.4178.4-73.9167.5-17800112V161 F162 T163 L167 A168 M169V161-E165 WeakPolarHBondContact CG2-OE1 3.37Å; V161-E165 WeakPolarHBondContact O-CG 3.34Å; V161-E165 PolarHBondContact O-N 2.71Å; F162-E165 PolarHBondContact O-N 2.8Å; T163-E165 VanDerWaalsContact C-N 3.31Å; T163-E165 PolarHBondContact O-N 3.1Å; E165-L167 VanDerWaalsContact C-N 3.33Å; E165-L167 PolarHBondContact O-N 3.45Å; E165-A168 WeakPolarHBondContact O-CA 3.11Å; E165-A168 WeakPolarHBondContact O-CB 3.43Å; E165-A168 PolarHBondContact O-N 3.32Å; E165-M169 WeakPolarHBondContact O-CG 3.16Å; E165-M169 PolarHBondContact O-N 3.32Å
166Q88.8Confident83Confident73 Ų7374.1 Ų74.134%0.34138%0.375SS..Hα-helixtrans-62.5-40.9171.6-171.1179.891.400111.8F162 A168 R170F162-Q166 PolarHBondContact O-N 2.92Å; Q166-A168 PolarHBondContact O-N 3.43Å; Q166-R170 WeakPolarHBondContact O-CB 3.46Å; Q166-R170 WeakPolarHBondContact O-CG 3.31Å; Q166-R170 PolarHBondContact O-N 3.17Å; Q166-R170 VanDerWaalsContact O-N 3.14Å; Q166-R170 VanDerWaalsContact OE1-CZ 3.22Å
167L88.9Confident80.8Confident23 Ų2379.2 Ų79.212%0.1239%0.389CS..Hα-helixtrans-69.9-20.4169.3-67.6166.2000112.7A152 T163 R164 E165 L171 F217A152-L167 HydrophobicContact CB-CD1 3.45Å; A152-L167 VanDerWaalsContact CB-CD1 3.45Å; A152-L167 HydrophobicContact CB-CD2 3.83Å; A152-L167 HydrophobicContact CB-CG 4.31Å; T163-L167 HydrophobicContact CG2-CD1 4.13Å; T163-L167 WeakPolarHBondContact O-CB 3.41Å; T163-L167 WeakPolarHBondContact O-CD1 3.26Å; T163-L167 WeakPolarHBondContact O-CG 3.29Å; T163-L167 PolarHBondContact O-N 3.07Å; R164-L167 CarbonylContact O-C 3.55Å; E165-L167 VanDerWaalsContact C-N 3.33Å; E165-L167 PolarHBondContact O-N 3.45Å; L167-L171 WeakPolarHBondContact O-CD1 3.3Å; L167-L171 VanDerWaalsContact O-CG 3.31Å; L167-L171 WeakPolarHBondContact O-CG 3.44Å; L167-F217 HydrophobicContact CD1-CZ 4.47Å
168A85.2Confident78.2Confident19 Ų1980.6 Ų80.616%0.15740%0.401CS..Hα-helixtrans-73.5-40.7177.700000111.5R164 E165 Q166 K213R164-A168 WeakPolarHBondContact O-CA 3.17Å; R164-A168 WeakPolarHBondContact O-CB 3.3Å; R164-A168 PolarHBondContact O-N 3.2Å; E165-A168 WeakPolarHBondContact O-CA 3.11Å; E165-A168 WeakPolarHBondContact O-CB 3.43Å; E165-A168 PolarHBondContact O-N 3.32Å; Q166-A168 PolarHBondContact O-N 3.43Å; A168-K213 HydrophobicContact CB-CD 3.51Å; A168-K213 PolarHBondContact O-NZ 3.25Å
169M83.7Confident75.9Confident147 Ų14777.6 Ų77.672%0.72439%0.392SS*.Hα-helixtrans-72.7-55.6177.3-62.4166.871.800110.8E165 L171 D172E165-M169 WeakPolarHBondContact O-CG 3.16Å; E165-M169 PolarHBondContact O-N 3.32Å; M169-L171 PolarHBondContact O-N 3.2Å; M169-D172 PolarHBondContact O-N 2.91Å; M169-D172 VanDerWaalsContact O-N 3.11Å
170R86.5Confident74.1Confident154 Ų15479.9 Ų79.958%0.58141%0.407SS*.THydrogen-bonded Turntrans-56-10.2-175-78.8-177176.81464.9117.2Q166Q166-R170 WeakPolarHBondContact O-CB 3.46Å; Q166-R170 WeakPolarHBondContact O-CG 3.31Å; Q166-R170 PolarHBondContact O-N 3.17Å; Q166-R170 VanDerWaalsContact O-N 3.14Å; Q166-R170 VanDerWaalsContact OE1-CZ 3.22Å
171L85.7Confident72.3Confident8 Ų878.6 Ų78.64%0.04240%0.399CS..THydrogen-bonded Turntrans-116.2-2-173.8-60.7-174.8000113.7Y144 Q145 Q148 L149 L167 M169 L173Y144-L171 HydrophobicContact CE1-CD2 4.1Å; Q145-L171 HydrophobicContact CG-CB 4.31Å; Q145-L171 PolarHBondContact NE2-O 3.02Å; Q148-L171 HydrophobicContact CB-CD1 4.31Å; Q148-L171 HydrophobicContact CB-CD2 3.39Å; Q148-L171 HydrophobicContact CB-CG 4.48Å; Q148-L171 HydrophobicContact CG-CD2 3.68Å; L149-L171 HydrophobicContact CD2-CD1 3.92Å; L149-L171 HydrophobicContact CG-CD1 3.8Å; L167-L171 WeakPolarHBondContact O-CD1 3.3Å; L167-L171 VanDerWaalsContact O-CG 3.31Å; L167-L171 WeakPolarHBondContact O-CG 3.44Å; M169-L171 PolarHBondContact O-N 3.2Å; L171-L173 HydrophobicContact CB-CD1 3.98Å; L171-L173 HydrophobicContact CB-CG 4.16Å; L171-L173 HydrophobicContact CD1-CD1 4.24Å; L171-L173 PolarHBondContact O-N 3.5Å
172D81.5Confident70.8Confident142 Ų14278.4 Ų78.476%0.75940%0.396SS*.THydrogen-bonded Turntrans39.740.8-179.1-64.2-56.9000113.4M169 S174M169-D172 PolarHBondContact O-N 2.91Å; M169-D172 VanDerWaalsContact O-N 3.11Å; D172-S174 PolarHBondContact O-N 3.42Å
173L73.5Confident69.4Low20 Ų2076.6 Ų76.611%0.10540%0.396CS..  trans-65.5120.3176.9-83.7160.5000106.9F141 Q145 L171 Q209 K213F141-L173 HydrophobicContact CD1-CD1 4.17Å; F141-L173 HydrophobicContact CD1-CD2 3.55Å; F141-L173 HydrophobicContact CE1-CD1 3.94Å; F141-L173 HydrophobicContact CE1-CD2 3.75Å; Q145-L173 VanDerWaalsContact CD-CD2 3.48Å; Q145-L173 HydrophobicContact CG-CD2 4.35Å; Q145-L173 HydrophobicContact CG-CG 4.4Å; L171-L173 HydrophobicContact CB-CD1 3.98Å; L171-L173 HydrophobicContact CB-CG 4.16Å; L171-L173 HydrophobicContact CD1-CD1 4.24Å; L171-L173 PolarHBondContact O-N 3.5Å; L173-Q209 VanDerWaalsContact CB-OE1 3.27Å; L173-Q209 PolarHBondContact O-NE2 2.91Å; L173-Q209 PolarHBondContact O-OE1 3.16Å; L173-K213 HydrophobicContact CD1-CD 4.39Å; L173-K213 HydrophobicContact CD1-CG 4.21Å
174S62.1Low68.2Low79 Ų7982.1 Ų82.155%0.55241%0.41SS*.  trans-78.2148.1-168.456.80000112D172 A176 Q209D172-S174 PolarHBondContact O-N 3.42Å; S174-A176 PolarHBondContact O-N 3.22Å; S174-A176 VanDerWaalsContact O-N 3.16Å; S174-Q209 PolarHBondContact O-NE2 3.09Å
175E55.6Low66.8Low114 Ų11482.4 Ų82.453%0.53342%0.415SS..  trans-64.2-14.6176.9179.7165177.800112.8R177 G205 Q209E175-R177 PolarHBondContact O-N 2.72Å; E175-G205 WeakPolarHBondContact OE1-CA 3.4Å; E175-G205 WeakPolarHBondContact OE2-CA 3.4Å; E175-Q209 VanDerWaalsContact CA-NE2 3.34Å
176A51.7Low65.9Low54 Ų5482.1 Ų82.145%0.44642%0.416SS..THydrogen-bonded Turntrans-76.975.8-171.600000114.6S174S174-A176 PolarHBondContact O-N 3.22Å; S174-A176 VanDerWaalsContact O-N 3.16Å
177R46.4Very low64.8Low145 Ų14580.3 Ų80.355%0.54742%0.417SS..THydrogen-bonded Turn173.677.2115.1-89.7160.6-83.4-158.2-7.4116.3R136 E175R136-R177 WeakPolarHBondContact CD-O 3.36Å; E175-R177 PolarHBondContact O-N 2.72Å
178V38.2Very low63.6Low82 Ų8282.6 Ų82.650%0.49743%0.429SS..  70.2120119.91770000118.8R136R136-V178 WeakPolarHBondContact CD-O 3.41Å; R136-V178 VanDerWaalsContact CZ-O 3.27Å; R136-V178 VanDerWaalsContact NE-CG1 3.32Å; R136-V178 PolarHBondContact NE-O 2.85Å; R136-V178 VanDerWaalsContact NE-O 3.16Å; R136-V178 PolarHBondContact NH1-O 3.4Å
179Q46.5Very low62.5Low77 Ų7782.8 Ų82.836%0.3643%0.431SS..  trans49.598.3165.8-37160.88.700118.8R136 L182R136-Q179 PolarHBondContact NH1-O 2.92Å; Q179-L182 HydrophobicContact CB-CB 3.82Å; Q179-L182 VanDerWaalsContact CD-CD2 3.48Å; Q179-L182 HydrophobicContact CG-CB 3.39Å; Q179-L182 HydrophobicContact CG-CD2 4.12Å; Q179-L182 HydrophobicContact CG-CG 4.39Å; Q179-L182 VanDerWaalsContact NE2-CD2 3.3Å
180P54.1Low61.8Low51 Ų5182.4 Ų82.433%0.33143%0.431SS..SBend-94.6-29.9119.131.5-34.3000110.8V183 R184 F211P180-V183 PolarHBondContact O-N 2.8Å; P180-R184 PolarHBondContact O-N 3.17Å; P180-R184 VanDerWaalsContact O-N 3.07Å; P180-F211 HydrophobicContact CB-CE1 4.16Å; P180-F211 HydrophobicContact CB-CZ 4.09Å; P180-F211 HydrophobicContact CG-CD1 3.88Å; P180-F211 HydrophobicContact CG-CE1 3.72Å; P180-F211 HydrophobicContact CG-CE2 4.41Å; P180-F211 HydrophobicContact CG-CG 4.28Å; P180-F211 HydrophobicContact CG-CZ 4.01Å
181L52.9Low60.7Low67 Ų6778.2 Ų78.235%0.35143%0.429SS..Hα-helixtrans-64.9-41.6-176.7-78.6174.4000113.2V183 R184 L185L181-V183 VanDerWaalsContact C-N 3.31Å; L181-V183 PolarHBondContact O-N 3.47Å; L181-R184 CarbonylContact O-C 3.56Å; L181-R184 PolarHBondContact O-N 2.85Å; L181-L185 HydrophobicContact CB-CD1 4.36Å; L181-L185 VanDerWaalsContact O-CB 3.25Å; L181-L185 WeakPolarHBondContact O-CB 3.45Å; L181-L185 VanDerWaalsContact O-CG 3.23Å; L181-L185 WeakPolarHBondContact O-CG 3.47Å; L181-L185 PolarHBondContact O-N 3.43Å
182L54.2Low59.8Low63 Ų6379.8 Ų79.833%0.3344%0.439SS..Hα-helixtrans-68-30.9176.5-166.371000112.4Q179 R184 L185 I186Q179-L182 HydrophobicContact CB-CB 3.82Å; Q179-L182 VanDerWaalsContact CD-CD2 3.48Å; Q179-L182 HydrophobicContact CG-CB 3.39Å; Q179-L182 HydrophobicContact CG-CD2 4.12Å; Q179-L182 HydrophobicContact CG-CG 4.39Å; Q179-L182 VanDerWaalsContact NE2-CD2 3.3Å; L182-R184 VanDerWaalsContact C-N 3.34Å; L182-L185 PolarHBondContact O-N 2.7Å; L182-I186 HydrophobicContact CD1-CD1 4.13Å; L182-I186 HydrophobicContact CD1-CG1 4.04Å; L182-I186 HydrophobicContact CD2-CD1 3.93Å; L182-I186 HydrophobicContact CG-CD1 3.64Å; L182-I186 HydrophobicContact CG-CG1 3.93Å; L182-I186 WeakPolarHBondContact O-CB 3.23Å; L182-I186 VanDerWaalsContact O-CG1 3.3Å; L182-I186 WeakPolarHBondContact O-CG1 3.25Å; L182-I186 PolarHBondContact O-N 2.81Å
183V59.9Low58.3Low98 Ų9876.1 Ų76.159%0.59444%0.435SS*.Hα-helixtrans-66.7-39.8173.9-177.20000110.3P180 L181 G187P180-V183 PolarHBondContact O-N 2.8Å; L181-V183 VanDerWaalsContact C-N 3.31Å; L181-V183 PolarHBondContact O-N 3.47Å; V183-G187 PolarHBondContact O-N 3.49Å
184R61.1Low57.6Low169 Ų16979 Ų7964%0.63845%0.453SS*.Hα-helixtrans-72.9-35174.4-77.5-176.5162.2143.5-2.6113.9P180 L181 L182 G187 L188P180-R184 PolarHBondContact O-N 3.17Å; P180-R184 VanDerWaalsContact O-N 3.07Å; L181-R184 CarbonylContact O-C 3.56Å; L181-R184 PolarHBondContact O-N 2.85Å; L182-R184 VanDerWaalsContact C-N 3.34Å; R184-G187 PolarHBondContact O-N 3.39Å; R184-L188 WeakPolarHBondContact O-CB 3.31Å; R184-L188 WeakPolarHBondContact O-CD1 3.45Å; R184-L188 PolarHBondContact O-N 2.77Å
185L60.7Low57.3Low56 Ų5680 Ų8029%0.29347%0.466SS..Hα-helixtrans-79.2-37.5-179.9-72167.6000112.3L181 L182 G187 L188 A189L181-L185 HydrophobicContact CB-CD1 4.36Å; L181-L185 VanDerWaalsContact O-CB 3.25Å; L181-L185 WeakPolarHBondContact O-CB 3.45Å; L181-L185 VanDerWaalsContact O-CG 3.23Å; L181-L185 WeakPolarHBondContact O-CG 3.47Å; L181-L185 PolarHBondContact O-N 3.43Å; L182-L185 PolarHBondContact O-N 2.7Å; L185-G187 VanDerWaalsContact C-N 3.33Å; L185-L188 PolarHBondContact O-N 2.98Å; L185-A189 VanDerWaalsContact O-CB 3.22Å; L185-A189 WeakPolarHBondContact O-CB 3.37Å; L185-A189 PolarHBondContact O-N 2.77Å
186I67.6Low57.3Low83 Ų8378.8 Ų78.843%0.42646%0.462SS..Hα-helixtrans-65.3-41.6166.3-69.6176.6000109.2L182 L188 A189 L190L182-I186 HydrophobicContact CD1-CD1 4.13Å; L182-I186 HydrophobicContact CD1-CG1 4.04Å; L182-I186 HydrophobicContact CD2-CD1 3.93Å; L182-I186 HydrophobicContact CG-CD1 3.64Å; L182-I186 HydrophobicContact CG-CG1 3.93Å; L182-I186 WeakPolarHBondContact O-CB 3.23Å; L182-I186 VanDerWaalsContact O-CG1 3.3Å; L182-I186 WeakPolarHBondContact O-CG1 3.25Å; L182-I186 PolarHBondContact O-N 2.81Å; I186-L188 PolarHBondContact O-N 3.34Å; I186-A189 PolarHBondContact O-N 3.39Å; I186-L190 HydrophobicContact CG2-CD1 3.58Å; I186-L190 HydrophobicContact CG2-CG 4.02Å; I186-L190 VanDerWaalsContact O-CB 3.3Å; I186-L190 WeakPolarHBondContact O-CB 3.36Å; I186-L190 VanDerWaalsContact O-CG 3.26Å; I186-L190 WeakPolarHBondContact O-CG 3.48Å; I186-L190 PolarHBondContact O-N 3.24Å
187G65.6Low57.5Low36 Ų3685.1 Ų85.137%0.37148%0.48SS..Hα-helixtrans-54.3-49.8172.400000112.8V183 R184 L185 A191V183-G187 PolarHBondContact O-N 3.49Å; R184-G187 PolarHBondContact O-N 3.39Å; L185-G187 VanDerWaalsContact C-N 3.33Å; G187-A191 WeakPolarHBondContact O-CB 3.22Å; G187-A191 PolarHBondContact O-N 2.87Å
188L64.2Low58Low70 Ų7083.2 Ų83.237%0.36648%0.48SS..Hα-helixtrans-67.4-42.5176.6-102.566000113.1R184 L185 I186 A191 T192 L311R184-L188 WeakPolarHBondContact O-CB 3.31Å; R184-L188 WeakPolarHBondContact O-CD1 3.45Å; R184-L188 PolarHBondContact O-N 2.77Å; L185-L188 PolarHBondContact O-N 2.98Å; I186-L188 PolarHBondContact O-N 3.34Å; L188-A191 PolarHBondContact O-N 3.48Å; L188-T192 WeakPolarHBondContact O-CB 2.91Å; L188-T192 WeakPolarHBondContact O-CG2 3.23Å; L188-T192 PolarHBondContact O-N 3.48Å; L188-T192 PolarHBondContact O-OG1 3.31Å; L188-L311 HydrophobicContact CD1-CD2 4.09Å; L188-L311 HydrophobicContact CD2-CD2 4.4Å
189A62.2Low58.7Low24 Ų2485.1 Ų85.120%0.19849%0.492CS..Hα-helixtrans-65.8-40.9-179.900000111.8L185 I186 G193L185-A189 VanDerWaalsContact O-CB 3.22Å; L185-A189 WeakPolarHBondContact O-CB 3.37Å; L185-A189 PolarHBondContact O-N 2.77Å; I186-A189 PolarHBondContact O-N 3.39Å; A189-G193 WeakPolarHBondContact O-CA 3.3Å; A189-G193 PolarHBondContact O-N 3.41Å
190L67.6Low58.6Low139 Ų13984.5 Ų84.573%0.72851%0.506SS*.Hα-helixtrans-69.2-38.8173.5-66.8176.8000112.1I186I186-L190 HydrophobicContact CG2-CD1 3.58Å; I186-L190 HydrophobicContact CG2-CG 4.02Å; I186-L190 VanDerWaalsContact O-CB 3.3Å; I186-L190 WeakPolarHBondContact O-CB 3.36Å; I186-L190 VanDerWaalsContact O-CG 3.26Å; I186-L190 WeakPolarHBondContact O-CG 3.48Å; I186-L190 PolarHBondContact O-N 3.24Å
191A64.4Low58.2Low66 Ų6688.6 Ų88.655%0.54553%0.525SS..Hα-helixtrans-73.6-29.5179.600000114G187 L188G187-A191 WeakPolarHBondContact O-CB 3.22Å; G187-A191 PolarHBondContact O-N 2.87Å; L188-A191 PolarHBondContact O-N 3.48Å
192T66.7Low57.9Low41 Ų4193.5 Ų93.525%0.25255%0.549SS..Hα-helixtrans-91.5-17.4177.556.30000113.2L188 V194L188-T192 WeakPolarHBondContact O-CB 2.91Å; L188-T192 WeakPolarHBondContact O-CG2 3.23Å; L188-T192 PolarHBondContact O-N 3.48Å; L188-T192 PolarHBondContact O-OG1 3.31Å; T192-V194 PolarHBondContact O-N 2.8Å; T192-V194 VanDerWaalsContact O-N 3.09Å
193G50.2Low57.4Low65 Ų6594 Ų9467%0.6757%0.57SS**  trans66.90.2-172.200000114.2A189 A195A189-G193 WeakPolarHBondContact O-CA 3.3Å; A189-G193 PolarHBondContact O-N 3.41Å; G193-A195 PolarHBondContact O-N 3.39Å
194V58.5Low57Low79 Ų7993.6 Ų93.648%0.47956%0.558SS.*  trans-78.5119.7179.6-179.80000108.6T192 I196T192-V194 PolarHBondContact O-N 2.8Å; T192-V194 VanDerWaalsContact O-N 3.09Å; V194-I196 HydrophobicContact CB-CG1 4.22Å; V194-I196 HydrophobicContact CG1-CG1 3.81Å; V194-I196 PolarHBondContact O-N 2.95Å
195A54.7Low56.4Low100 Ų10086.8 Ų86.883%0.82654%0.54SS*.  trans-70.470.7169.800000110.5G193 K197G193-A195 PolarHBondContact O-N 3.39Å; A195-K197 PolarHBondContact O-N 2.75Å
196I57Low56.3Low89 Ų8988 Ų8846%0.45656%0.558SS.*  trans-60.9109.5175.4-57.5176.5000107.4V194 L198V194-I196 HydrophobicContact CB-CG1 4.22Å; V194-I196 HydrophobicContact CG1-CG1 3.81Å; V194-I196 PolarHBondContact O-N 2.95Å; I196-L198 HydrophobicContact CG2-CG 4.17Å; I196-L198 PolarHBondContact O-N 3.16Å
197K56.1Low55.9Low188 Ų18888.2 Ų88.282%0.81756%0.557SS**  trans-69.183.5179.5-162.8170.4-175.4176.70109A195 T199A195-K197 PolarHBondContact O-N 2.75Å; K197-T199 PolarHBondContact O-N 2.99Å
198L56Low55.6Low105 Ų10588.5 Ų88.555%0.5555%0.552SS.*  trans-71.267-173.7-86.9161.5000111.7I196I196-L198 HydrophobicContact CG2-CG 4.17Å; I196-L198 PolarHBondContact O-N 3.16Å
199T52Low55.6Low122 Ų12286.1 Ų86.175%0.74854%0.539SS*.  trans-146.577.6-178.6-42.70000107.5K197K197-T199 PolarHBondContact O-N 2.99Å
200G45.2Very low55.8Low64 Ų6487.9 Ų87.966%0.6654%0.542SS*.SBendtrans178.9-42.1-17700000116.3I202G200-I202 PolarHBondContact O-N 3.46Å
201L46.2Very low55.8Low137 Ų13784.8 Ų84.872%0.71752%0.523SS*.  trans-94.856.7179.4-81.985000112.9G203L201-G203 PolarHBondContact O-N 2.72Å
202I46.1Very low56.3Low169 Ų16983.3 Ų83.387%0.86751%0.506SS*.  trans-9190.3164.9-57.8177.2000107G200G200-I202 PolarHBondContact O-N 3.46Å
203G44.5Very low56.8Low74 Ų7481.6 Ų81.676%0.76350%0.495SS*.  trans172.949-174.200000113.5L201L201-G203 PolarHBondContact O-N 2.72Å
204R51.1Low58.3Low90 Ų9081.3 Ų81.334%0.3448%0.476SS..  trans-134.437.8-172.7-53.8-152.8-158.6-167.30.5115.3A206 E207R204-A206 PolarHBondContact O-N 3.21Å; R204-E207 HydrophobicContact CB-CB 4.41Å; R204-E207 HydrophobicContact CB-CG 4.46Å; R204-E207 WeakPolarHBondContact CD-OE1 3.29Å; R204-E207 WeakPolarHBondContact CD-OE2 3.38Å; R204-E207 IonicContact CZ-OE1 2.73Å; R204-E207 IonicContact CZ-OE2 2.71Å; R204-E207 IonicContact NE-OE2 3.13Å; R204-E207 VanDerWaalsContact NH1-CD 3.26Å; R204-E207 IonicContact NH1-OE1 3.06Å; R204-E207 PolarHBondContact NH1-OE1 2.79Å; R204-E207 IonicContact NH1-OE2 2.6Å; R204-E207 PolarHBondContact NH1-OE2 3.4Å; R204-E207 PolarHBondContact O-N 3.07Å
205G48.9Very low59.6Low25 Ų2579.6 Ų79.626%0.25847%0.466SS..Hα-helixtrans-57.3-35.4178.900000114.1E175 T208 Q209E175-G205 WeakPolarHBondContact OE1-CA 3.4Å; E175-G205 WeakPolarHBondContact OE2-CA 3.4Å; G205-T208 PolarHBondContact O-OG1 2.82Å; G205-T208 VanDerWaalsContact O-OG1 3.04Å; G205-Q209 WeakPolarHBondContact O-CG 3.35Å
206A57.5Low61.3Low83 Ų8376.2 Ų76.269%0.68643%0.431SS*.Hα-helixtrans-64.5-40.1176.800000114.1R204 T208 Q209 F210R204-A206 PolarHBondContact O-N 3.21Å; A206-T208 PolarHBondContact O-N 3.5Å; A206-Q209 WeakPolarHBondContact O-CB 3.47Å; A206-Q209 PolarHBondContact O-N 3.04Å; A206-F210 PolarHBondContact O-N 2.94Å
207E59.4Low63Low86 Ų8672.1 Ų72.140%0.40241%0.411SS..Hα-helixtrans-66.6-39.4-176.1-73.3-171.6-177.800112.5R204 Q209 F210 F211R204-E207 HydrophobicContact CB-CB 4.41Å; R204-E207 HydrophobicContact CB-CG 4.46Å; R204-E207 WeakPolarHBondContact CD-OE1 3.29Å; R204-E207 WeakPolarHBondContact CD-OE2 3.38Å; R204-E207 IonicContact CZ-OE1 2.73Å; R204-E207 IonicContact CZ-OE2 2.71Å; R204-E207 IonicContact NE-OE2 3.13Å; R204-E207 VanDerWaalsContact NH1-CD 3.26Å; R204-E207 IonicContact NH1-OE1 3.06Å; R204-E207 PolarHBondContact NH1-OE1 2.79Å; R204-E207 IonicContact NH1-OE2 2.6Å; R204-E207 PolarHBondContact NH1-OE2 3.4Å; R204-E207 PolarHBondContact O-N 3.07Å; E207-Q209 VanDerWaalsContact C-N 3.31Å; E207-Q209 PolarHBondContact O-N 3.26Å; E207-F210 PolarHBondContact O-N 2.89Å; E207-F211 PolarHBondContact O-N 3.32Å
208T59.7Low64.6Low42 Ų4267.8 Ų67.826%0.25839%0.393SS..Hα-helixtrans-65.8-38.4178.864.90000111.2G205 A206 F211 L212G205-T208 PolarHBondContact O-OG1 2.82Å; G205-T208 VanDerWaalsContact O-OG1 3.04Å; A206-T208 PolarHBondContact O-N 3.5Å; T208-F211 PolarHBondContact O-N 3.46Å; T208-L212 PolarHBondContact O-N 3.16Å; T208-L212 VanDerWaalsContact O-N 3.17Å
209Q63.3Low66.4Low21 Ų2167.3 Ų67.310%0.09839%0.391CS..Hα-helixtrans-62.6-50.2174.3-72.4-44.6-47.200112.5L173 S174 E175 G205 A206 E207 F211 L212 K213L173-Q209 VanDerWaalsContact CB-OE1 3.27Å; L173-Q209 PolarHBondContact O-NE2 2.91Å; L173-Q209 PolarHBondContact O-OE1 3.16Å; S174-Q209 PolarHBondContact O-NE2 3.09Å; E175-Q209 VanDerWaalsContact CA-NE2 3.34Å; G205-Q209 WeakPolarHBondContact O-CG 3.35Å; A206-Q209 WeakPolarHBondContact O-CB 3.47Å; A206-Q209 PolarHBondContact O-N 3.04Å; E207-Q209 VanDerWaalsContact C-N 3.31Å; E207-Q209 PolarHBondContact O-N 3.26Å; Q209-F211 VanDerWaalsContact C-N 3.26Å; Q209-F211 PolarHBondContact O-N 2.83Å; Q209-L212 PolarHBondContact O-N 3Å; Q209-K213 WeakPolarHBondContact O-CB 3.34Å; Q209-K213 VanDerWaalsContact O-CD 3.29Å; Q209-K213 WeakPolarHBondContact O-CD 3.48Å; Q209-K213 WeakPolarHBondContact O-CG 3.32Å; Q209-K213 PolarHBondContact O-N 3.32Å; Q209-K213 VanDerWaalsContact O-N 3.15Å; Q209-K213 VanDerWaalsContact OE1-CE 3.26Å
210F66.7Low68.4Low60 Ų6065.2 Ų65.226%0.26337%0.37SS..Hα-helixtrans-56.1-43.3178-170.2-93.2000111.3V161 R164 A206 E207 K213 Q214V161-F210 HydrophobicContact CG2-CE2 4.04Å; R164-F210 HydrophobicContact CB-CE2 4.37Å; A206-F210 PolarHBondContact O-N 2.94Å; E207-F210 PolarHBondContact O-N 2.89Å; F210-K213 PolarHBondContact O-N 3.35Å; F210-Q214 VanDerWaalsContact O-CB 3.25Å; F210-Q214 WeakPolarHBondContact O-CB 3.4Å; F210-Q214 PolarHBondContact O-N 2.86Å
211F68.8Low70.8Confident74 Ų7463.3 Ų63.333%0.32534%0.343SS..Hα-helixtrans-62.1-49.1179.2-173.4-97.1000113.3P180 E207 T208 Q209 K213 Q214 V215P180-F211 HydrophobicContact CB-CE1 4.16Å; P180-F211 HydrophobicContact CB-CZ 4.09Å; P180-F211 HydrophobicContact CG-CD1 3.88Å; P180-F211 HydrophobicContact CG-CE1 3.72Å; P180-F211 HydrophobicContact CG-CE2 4.41Å; P180-F211 HydrophobicContact CG-CG 4.28Å; P180-F211 HydrophobicContact CG-CZ 4.01Å; E207-F211 PolarHBondContact O-N 3.32Å; T208-F211 PolarHBondContact O-N 3.46Å; Q209-F211 VanDerWaalsContact C-N 3.26Å; Q209-F211 PolarHBondContact O-N 2.83Å; F211-K213 VanDerWaalsContact C-N 3.29Å; F211-K213 PolarHBondContact O-N 2.8Å; F211-Q214 PolarHBondContact O-N 3.31Å; F211-V215 HydrophobicContact CD1-CG2 4.02Å; F211-V215 HydrophobicContact CD2-CG2 4.47Å; F211-V215 HydrophobicContact CE1-CG2 3.64Å; F211-V215 HydrophobicContact CE2-CG2 4.13Å; F211-V215 HydrophobicContact CG-CG2 4.42Å; F211-V215 HydrophobicContact CZ-CG2 3.7Å; F211-V215 WeakPolarHBondContact O-CB 3.06Å; F211-V215 WeakPolarHBondContact O-CG2 3.48Å; F211-V215 PolarHBondContact O-N 2.91Å
212L74.8Confident73Confident36 Ų3658.9 Ų58.919%0.18833%0.325CS..Hα-helixtrans-60.9-40.1179.7-71.3173.5000111.9T139 T208 Q209 V215 W216T139-L212 HydrophobicContact CG2-CD1 4Å; T139-L212 HydrophobicContact CG2-CD2 3.8Å; T208-L212 PolarHBondContact O-N 3.16Å; T208-L212 VanDerWaalsContact O-N 3.17Å; Q209-L212 PolarHBondContact O-N 3Å; L212-V215 PolarHBondContact O-N 3.4Å; L212-W216 PolarHBondContact O-N 3.14Å
213K75.6Confident75.2Confident4 Ų458 Ų582%0.01732%0.315CS..Hα-helixtrans-70.7-44.6179.9-68.4157.5-168.6163.80110.5A168 L173 Q209 F210 F211 V215 W216 F217A168-K213 HydrophobicContact CB-CD 3.51Å; A168-K213 PolarHBondContact O-NZ 3.25Å; L173-K213 HydrophobicContact CD1-CD 4.39Å; L173-K213 HydrophobicContact CD1-CG 4.21Å; Q209-K213 WeakPolarHBondContact O-CB 3.34Å; Q209-K213 VanDerWaalsContact O-CD 3.29Å; Q209-K213 WeakPolarHBondContact O-CD 3.48Å; Q209-K213 WeakPolarHBondContact O-CG 3.32Å; Q209-K213 PolarHBondContact O-N 3.32Å; Q209-K213 VanDerWaalsContact O-N 3.15Å; Q209-K213 VanDerWaalsContact OE1-CE 3.26Å; F210-K213 PolarHBondContact O-N 3.35Å; F211-K213 VanDerWaalsContact C-N 3.29Å; F211-K213 PolarHBondContact O-N 2.8Å; K213-V215 VanDerWaalsContact C-N 3.33Å; K213-V215 PolarHBondContact O-N 3.01Å; K213-W216 PolarHBondContact O-N 3.02Å; K213-F217 WeakPolarHBondContact O-CD2 3.25Å; K213-F217 PolarHBondContact O-N 2.7Å
214Q83.3Confident77.4Confident60 Ų6059 Ų5928%0.2830%0.296SS..Hα-helixtrans-58.9-42.1173.3-171.5-179.317.400112.2F210 F211 F217 Q218F210-Q214 VanDerWaalsContact O-CB 3.25Å; F210-Q214 WeakPolarHBondContact O-CB 3.4Å; F210-Q214 PolarHBondContact O-N 2.86Å; F211-Q214 PolarHBondContact O-N 3.31Å; Q214-F217 PolarHBondContact O-N 3.06Å; Q214-Q218 WeakPolarHBondContact O-CB 3.39Å; Q214-Q218 VanDerWaalsContact O-CG 3.3Å; Q214-Q218 WeakPolarHBondContact O-CG 3.38Å; Q214-Q218 PolarHBondContact O-N 3.38Å
215V84.7Confident79.3Confident43 Ų4359.9 Ų59.926%0.26130%0.299SS..Hα-helixtrans-67.3-38.3176.9168.70000111.7F211 L212 K213 Q218 N219F211-V215 HydrophobicContact CD1-CG2 4.02Å; F211-V215 HydrophobicContact CD2-CG2 4.47Å; F211-V215 HydrophobicContact CE1-CG2 3.64Å; F211-V215 HydrophobicContact CE2-CG2 4.13Å; F211-V215 HydrophobicContact CG-CG2 4.42Å; F211-V215 HydrophobicContact CZ-CG2 3.7Å; F211-V215 WeakPolarHBondContact O-CB 3.06Å; F211-V215 WeakPolarHBondContact O-CG2 3.48Å; F211-V215 PolarHBondContact O-N 2.91Å; L212-V215 PolarHBondContact O-N 3.4Å; K213-V215 VanDerWaalsContact C-N 3.33Å; K213-V215 PolarHBondContact O-N 3.01Å; V215-Q218 PolarHBondContact O-N 2.71Å; V215-N219 WeakPolarHBondContact CG1-ND2 3.4Å; V215-N219 WeakPolarHBondContact O-CB 3.39Å; V215-N219 PolarHBondContact O-N 3.23Å; V215-N219 PolarHBondContact O-ND2 3.25Å
216W91.4Very high81.2Confident28 Ų2866.3 Ų66.311%0.10632%0.32CS..Hα-helixtrans-60.1-51.4172.8-173.4100.6000110.9F141 L149 F153 L212 K213 Q218 N219 R220F141-W216 AromaticContact CE2-CD1 3.83Å; F141-W216 HydrophobicContact CZ-CB 4.1Å; F141-W216 AromaticContact CZ-CD1 3.86Å; F141-W216 HydrophobicContact CZ-CG 4.33Å; L149-W216 VanDerWaalsContact C-CH2 3.5Å; L149-W216 HydrophobicContact CB-CD2 4.02Å; L149-W216 HydrophobicContact CB-CE3 4.06Å; L149-W216 HydrophobicContact CB-CH2 3.73Å; L149-W216 HydrophobicContact CB-CZ2 3.64Å; L149-W216 HydrophobicContact CB-CZ3 3.93Å; L149-W216 HydrophobicContact CD1-CD2 4.01Å; L149-W216 HydrophobicContact CD1-CG 3.99Å; L149-W216 HydrophobicContact CD2-CD2 4.46Å; L149-W216 HydrophobicContact CD2-CE3 4.32Å; L149-W216 HydrophobicContact CG-CD2 4.39Å; L149-W216 WeakPolarHBondContact O-CH2 3.26Å; L149-W216 WeakPolarHBondContact O-CZ3 3.19Å; F153-W216 HydrophobicContact CB-CH2 4.1Å; F153-W216 HydrophobicContact CB-CZ3 4.07Å; F153-W216 HydrophobicContact CD2-CZ3 4.43Å; L212-W216 PolarHBondContact O-N 3.14Å; K213-W216 PolarHBondContact O-N 3.02Å; W216-Q218 VanDerWaalsContact C-N 3.35Å; W216-Q218 PolarHBondContact O-N 2.93Å; W216-N219 PolarHBondContact O-N 2.86Å; W216-N219 VanDerWaalsContact O-N 3.14Å; W216-R220 HydrophobicContact CE3-CB 4.13Å; W216-R220 HydrophobicContact CH2-CB 3.94Å; W216-R220 HydrophobicContact CH2-CG 3.68Å; W216-R220 HydrophobicContact CZ2-CB 4.42Å; W216-R220 HydrophobicContact CZ2-CG 4.33Å; W216-R220 HydrophobicContact CZ3-CB 3.79Å; W216-R220 HydrophobicContact CZ3-CG 3.91Å; W216-R220 PolarHBondContact O-N 2.9Å
217F92.5Very high82.5Confident4 Ų470.4 Ų70.42%0.01832%0.318CS..Hα-helixtrans-63.3-36.6179.7-87.6-83.8000113L149 A152 F153 P159 L167 K213 Q214 R221L149-F217 HydrophobicContact CD2-CE2 3.95Å; A152-F217 HydrophobicContact CB-CZ 4.02Å; F153-F217 HydrophobicContact CB-CE1 4.11Å; F153-F217 AromaticContact CD2-CD1 3.95Å; F153-F217 HydrophobicContact CD2-CD1 3.95Å; F153-F217 HydrophobicContact CD2-CE1 4.04Å; P159-F217 HydrophobicContact CG-CD1 3.8Å; P159-F217 HydrophobicContact CG-CD2 4.2Å; P159-F217 HydrophobicContact CG-CE1 3.59Å; P159-F217 HydrophobicContact CG-CE2 4.03Å; P159-F217 HydrophobicContact CG-CG 4.12Å; P159-F217 HydrophobicContact CG-CZ 3.73Å; L167-F217 HydrophobicContact CD1-CZ 4.47Å; K213-F217 WeakPolarHBondContact O-CD2 3.25Å; K213-F217 PolarHBondContact O-N 2.7Å; Q214-F217 PolarHBondContact O-N 3.06Å; F217-R221 WeakPolarHBondContact O-CG 3.45Å; F217-R221 PolarHBondContact O-N 3.32Å
218Q90.1Very high83.4Confident96 Ų9671 Ų7145%0.44932%0.321SS..Hα-helixtrans-62-47172-76.51768.100111.8Q214 V215 W216 R221 A222Q214-Q218 WeakPolarHBondContact O-CB 3.39Å; Q214-Q218 VanDerWaalsContact O-CG 3.3Å; Q214-Q218 WeakPolarHBondContact O-CG 3.38Å; Q214-Q218 PolarHBondContact O-N 3.38Å; V215-Q218 PolarHBondContact O-N 2.71Å; W216-Q218 VanDerWaalsContact C-N 3.35Å; W216-Q218 PolarHBondContact O-N 2.93Å; Q218-R221 PolarHBondContact O-N 3.28Å; Q218-A222 WeakPolarHBondContact O-CB 3.11Å; Q218-A222 PolarHBondContact O-N 2.89Å
219N93.4Very high84.2Confident96 Ų9676.9 Ų76.951%0.51334%0.343SS..Hα-helixtrans-65.8-38.1178.2-77.9-60000112.5V215 W216 A222 K223V215-N219 WeakPolarHBondContact CG1-ND2 3.4Å; V215-N219 WeakPolarHBondContact O-CB 3.39Å; V215-N219 PolarHBondContact O-N 3.23Å; V215-N219 PolarHBondContact O-ND2 3.25Å; W216-N219 PolarHBondContact O-N 2.86Å; W216-N219 VanDerWaalsContact O-N 3.14Å; N219-A222 PolarHBondContact O-N 2.81Å; N219-K223 PolarHBondContact O-N 2.86Å
220R94.2Very high84.7Confident78 Ų7879.4 Ų79.429%0.29437%0.367SS..Hα-helixtrans-64.4-47.4175.9-171.768.4-165.8179.35.5111.2E150 F153 W216 A222 K223 W224E150-R220 VanDerWaalsContact CD-NE 3.29Å; E150-R220 IonicContact OE1-CZ 2.86Å; E150-R220 IonicContact OE1-NE 2.89Å; E150-R220 PolarHBondContact OE1-NE 3.47Å; E150-R220 IonicContact OE1-NH1 3.7Å; E150-R220 IonicContact OE1-NH2 2.77Å; E150-R220 PolarHBondContact OE1-NH2 3.35Å; E150-R220 WeakPolarHBondContact OE2-CD 3.44Å; E150-R220 IonicContact OE2-CZ 2.81Å; E150-R220 IonicContact OE2-NE 2.7Å; E150-R220 PolarHBondContact OE2-NE 2.68Å; E150-R220 IonicContact OE2-NH1 2.79Å; E150-R220 PolarHBondContact OE2-NH1 2.83Å; E150-R220 IonicContact OE2-NH2 3.28Å; E150-R220 PolarHBondContact OE2-NH2 2.8Å; F153-R220 HydrophobicContact CB-CG 4.41Å; F153-R220 HydrophobicContact CD1-CG 3.72Å; F153-R220 HydrophobicContact CD2-CB 4.09Å; F153-R220 HydrophobicContact CD2-CG 3.52Å; F153-R220 HydrophobicContact CE1-CG 3.78Å; F153-R220 HydrophobicContact CE2-CB 4.05Å; F153-R220 HydrophobicContact CE2-CG 3.59Å; F153-R220 HydrophobicContact CG-CG 3.6Å; F153-R220 HydrophobicContact CZ-CG 3.73Å; W216-R220 HydrophobicContact CE3-CB 4.13Å; W216-R220 HydrophobicContact CH2-CB 3.94Å; W216-R220 HydrophobicContact CH2-CG 3.68Å; W216-R220 HydrophobicContact CZ2-CB 4.42Å; W216-R220 HydrophobicContact CZ2-CG 4.33Å; W216-R220 HydrophobicContact CZ3-CB 3.79Å; W216-R220 HydrophobicContact CZ3-CG 3.91Å; W216-R220 PolarHBondContact O-N 2.9Å; R220-A222 VanDerWaalsContact C-N 3.3Å; R220-A222 PolarHBondContact O-N 3.2Å; R220-K223 PolarHBondContact O-N 3.05Å; R220-W224 PolarHBondContact O-N 3.41Å
221R94.2Very high84.9Confident24 Ų2483.3 Ų83.39%0.09139%0.39CS..Hα-helixtrans-59.8-36.3171.3-71.8-169.5-65.4-90.60.7113.1F153 Q157 F217 Q218 W224 R225F153-R221 HydrophobicContact CE2-CG 3.72Å; F153-R221 HydrophobicContact CZ-CG 4.29Å; Q157-R221 WeakPolarHBondContact O-CD 3.46Å; Q157-R221 PolarHBondContact O-NH1 3.37Å; F217-R221 WeakPolarHBondContact O-CG 3.45Å; F217-R221 PolarHBondContact O-N 3.32Å; Q218-R221 PolarHBondContact O-N 3.28Å; R221-W224 PolarHBondContact O-N 3.48Å; R221-R225 WeakPolarHBondContact O-CG 3.5Å; R221-R225 PolarHBondContact O-N 3.04Å; R221-R225 PolarHBondContact O-NH1 3.17Å
222A92.8Very high84.7Confident43 Ų4383 Ų8336%0.35541%0.408SS..Hα-helixtrans-67-38.7176.700000112.4Q218 N219 R220 K226Q218-A222 WeakPolarHBondContact O-CB 3.11Å; Q218-A222 PolarHBondContact O-N 2.89Å; N219-A222 PolarHBondContact O-N 2.81Å; R220-A222 VanDerWaalsContact C-N 3.3Å; R220-A222 PolarHBondContact O-N 3.2Å; A222-K226 WeakPolarHBondContact O-CG 3.3Å; A222-K226 PolarHBondContact O-N 3.23Å
223K92.2Very high83.5Confident151 Ų15188 Ų8866%0.65743%0.43SS*.Hα-helixtrans-66.7-45.8171-74.8-172.5173.8-1700112N219 R220 R225 K226 R227N219-K223 PolarHBondContact O-N 2.86Å; R220-K223 PolarHBondContact O-N 3.05Å; K223-R225 PolarHBondContact O-N 3.43Å; K223-K226 WeakPolarHBondContact O-CB 3.48Å; K223-K226 PolarHBondContact O-N 2.92Å; K223-R227 PolarHBondContact O-N 3.47Å; K223-R227 VanDerWaalsContact O-N 3.1Å
224W90.8Very high82.2Confident94 Ų9495.7 Ų95.736%0.35647%0.466SS..Hα-helixtrans-55.8-53.8179.3-177.872.9000111.4F153 Q157 R220 R221 K226 R227 E228F153-W224 HydrophobicContact CE1-CB 4.47Å; F153-W224 HydrophobicContact CZ-CB 4.11Å; F153-W224 HydrophobicContact CZ-CG 4.34Å; Q157-W224 VanDerWaalsContact NE2-CE2 3.3Å; R220-W224 PolarHBondContact O-N 3.41Å; R221-W224 PolarHBondContact O-N 3.48Å; W224-K226 PolarHBondContact O-N 3.4Å; W224-K226 VanDerWaalsContact O-N 3.08Å; W224-R227 WeakPolarHBondContact O-CB 3.39Å; W224-R227 PolarHBondContact O-N 2.9Å; W224-E228 HydrophobicContact CD2-CG 4.33Å; W224-E228 HydrophobicContact CH2-CG 4.31Å; W224-E228 HydrophobicContact CZ2-CG 4.01Å; W224-E228 PolarHBondContact O-N 3.37Å
225R90.5Very high80.5Confident109 Ų10997.4 Ų97.441%0.41148%0.482SS..Hα-helixtrans-62.4-18.1176.6-63.3-172.1-14699.1-10.1114.9Y158 R221 K223 K229Y158-R225 PolarHBondContact OH-NH2 3.46Å; R221-R225 WeakPolarHBondContact O-CG 3.5Å; R221-R225 PolarHBondContact O-N 3.04Å; R221-R225 PolarHBondContact O-NH1 3.17Å; K223-R225 PolarHBondContact O-N 3.43Å; R225-K229 WeakPolarHBondContact O-CG 3.25Å
226K89.1Confident78.5Confident160 Ų16098.3 Ų98.370%0.69650%0.501SS*.Hα-helixtrans-80.5-35.3171.5-78-173.4175.3-164.20112A222 K223 W224 K229 A230A222-K226 WeakPolarHBondContact O-CG 3.3Å; A222-K226 PolarHBondContact O-N 3.23Å; K223-K226 WeakPolarHBondContact O-CB 3.48Å; K223-K226 PolarHBondContact O-N 2.92Å; W224-K226 PolarHBondContact O-N 3.4Å; W224-K226 VanDerWaalsContact O-N 3.08Å; K226-K229 PolarHBondContact O-N 2.94Å; K226-A230 PolarHBondContact O-N 3.01Å
227R85.6Confident76.3Confident170 Ų170106.2 Ų106.264%0.64254%0.536SS*.Hα-helixtrans-64.4-48.2174.7179.8176.6-78.2-176-7.9111.2K223 W224 K229 A230 L231K223-R227 PolarHBondContact O-N 3.47Å; K223-R227 VanDerWaalsContact O-N 3.1Å; W224-R227 WeakPolarHBondContact O-CB 3.39Å; W224-R227 PolarHBondContact O-N 2.9Å; R227-K229 VanDerWaalsContact C-N 3.26Å; R227-K229 PolarHBondContact O-N 2.82Å; R227-A230 PolarHBondContact O-N 3.14Å; R227-L231 HydrophobicContact CG-CD1 4.04Å; R227-L231 WeakPolarHBondContact O-CD1 3.5Å; R227-L231 PolarHBondContact O-N 3.34Å; R227-L231 VanDerWaalsContact O-N 3.12Å
228E77.1Confident74Confident97 Ų97112.5 Ų112.545%0.45357%0.568SS.*Hα-helixtrans-54-43.6177-57.4-53.2110.200112.1W224 A230 L231 G232W224-E228 HydrophobicContact CD2-CG 4.33Å; W224-E228 HydrophobicContact CH2-CG 4.31Å; W224-E228 HydrophobicContact CZ2-CG 4.01Å; W224-E228 PolarHBondContact O-N 3.37Å; E228-A230 VanDerWaalsContact C-N 3.33Å; E228-A230 PolarHBondContact O-N 3.49Å; E228-L231 PolarHBondContact O-N 3.37Å; E228-G232 PolarHBondContact O-N 3.16Å
229K76.4Confident71.8Confident167 Ų167116 Ų11673%0.72658%0.584SS**Hα-helixtrans-69.1-26.7178.1-73-173174.4-158.20114.2R225 K226 R227R225-K229 WeakPolarHBondContact O-CG 3.25Å; K226-K229 PolarHBondContact O-N 2.94Å; R227-K229 VanDerWaalsContact C-N 3.26Å; R227-K229 PolarHBondContact O-N 2.82Å
230A74.4Confident69.2Low74 Ų74119.9 Ų119.961%0.61260%0.599SS**Hα-helixtrans-79.4-31.2177.800000112.4K226 R227 E228K226-A230 PolarHBondContact O-N 3.01Å; R227-A230 PolarHBondContact O-N 3.14Å; E228-A230 VanDerWaalsContact C-N 3.33Å; E228-A230 PolarHBondContact O-N 3.49Å
231L70.4Confident66.4Low142 Ų142119.5 Ų119.574%0.74362%0.619SS**Hα-helixtrans-83-20.5173.5-84.572.4000112.8R227 E228R227-L231 HydrophobicContact CG-CD1 4.04Å; R227-L231 WeakPolarHBondContact O-CD1 3.5Å; R227-L231 PolarHBondContact O-N 3.34Å; R227-L231 VanDerWaalsContact O-N 3.12Å; E228-L231 PolarHBondContact O-N 3.37Å
232G64.3Low63.7Low68 Ų68121.8 Ų121.870%0.70165%0.65SS**SBendtrans-93.85.2-177.800000116E228E228-G232 PolarHBondContact O-N 3.16Å
233H50.2Low60.9Low139 Ų139128.4 Ų128.464%0.64467%0.674SS**  trans-131.175.4-178.6-170.456.8000112
234E48.2Very low58.7Low166 Ų166127.8 Ų127.878%0.77668%0.682SS**  trans-53.5128.7149.6-75.2-63.4118.800108.3G236E234-G236 VanDerWaalsContact C-N 3.28Å; E234-G236 PolarHBondContact O-N 3.4Å
235P48.4Very low56.4Low97 Ų97128.6 Ų128.663%0.6370%0.698SS**  trans-72.985.8178.529.6-33.4000109.4F237P235-F237 PolarHBondContact O-N 2.95Å
236G42.1Very low54.2Low62 Ų62132.4 Ų132.464%0.63972%0.72SS**  trans-56.998.7-179.500000111.8E234 I238E234-G236 VanDerWaalsContact C-N 3.28Å; E234-G236 PolarHBondContact O-N 3.4Å; G236-I238 PolarHBondContact O-N 2.83Å
237F44.9Very low51.7Low193 Ų193128.1 Ų128.185%0.84672%0.722SS**  trans-63.8116.7-178.8-136.3-94.1000109.2P235 H239P235-F237 PolarHBondContact O-N 2.95Å; F237-H239 VanDerWaalsContact C-N 3.31Å; F237-H239 PolarHBondContact O-N 3.47Å
238I44.5Very low49.5Very low136 Ų136124.7 Ų124.770%0.69773%0.73SS**  trans-7187.9180-64.4-69.5000108.7G236 Q240G236-I238 PolarHBondContact O-N 2.83Å; I238-Q240 HydrophobicContact CG2-CG 3.88Å; I238-Q240 PolarHBondContact O-N 2.85Å
239H44.2Very low47.5Very low171 Ų171130.2 Ų130.279%0.79275%0.748SS**  trans-8592169.7-132.7-66.3000108.9F237 G241F237-H239 VanDerWaalsContact C-N 3.31Å; F237-H239 PolarHBondContact O-N 3.47Å; H239-G241 PolarHBondContact O-N 2.89Å
240Q39.6Very low45.7Very low177 Ų177130.6 Ų130.683%0.82775%0.752SS**  trans-70.283.2170-75.7174.1200109.6I238 G242I238-Q240 HydrophobicContact CG2-CG 3.88Å; I238-Q240 PolarHBondContact O-N 2.85Å; Q240-G242 PolarHBondContact O-N 3.18Å
241G34.7Very low43.8Very low69 Ų69135 Ų13571%0.71176%0.76SS**  trans-79.2100.6166.500000109.6H239H239-G241 PolarHBondContact O-N 2.89Å
242G37.3Very low42.5Very low72 Ų72134.1 Ų134.174%0.74276%0.763SS**  trans-66.5139.6176.900000112.4Q240 V244Q240-G242 PolarHBondContact O-N 3.18Å; G242-V244 PolarHBondContact O-N 2.87Å
243E35.1Very low41.3Very low182 Ų182134.9 Ų134.985%0.8576%0.763SS**  trans-68.3113.6176.1-177.6-175.5142.300111.1
244V45.4Very low40.6Very low138 Ų138132.9 Ų132.984%0.83677%0.77SS**  trans-136.9104.5163.9-176.60000109.4G242G242-V244 PolarHBondContact O-N 2.87Å
245T42.7Very low40.2Very low111 Ų111132.3 Ų132.368%0.68178%0.778SS**  trans-79.9121171.3-50.30000110.3
246Q43.3Very low39.8Very low189 Ų189131.8 Ų131.888%0.88378%0.781SS**  trans176.1140.7140.5-99.4157.636.900114.4
247G37Very low39.2Very low71 Ų71137.9 Ų137.973%0.73279%0.786SS**  72.988.2117.600000121
248A39.7Very low39Very low97 Ų97139.9 Ų139.980%0.80279%0.788SS**  trans68.1152.4135.400000122.1
249Y34.8Very low38.9Very low214 Ų214137.8 Ų137.884%0.83978%0.783SS**  trans-49.6137.1174.2-50.5-100.6000115
250Q38.5Very low38.5Very low175 Ų175135.9 Ų135.982%0.81878%0.779SS**  -171.1148.5103.6-14670.2-12.900111.6
251H34.9Very low38.9Very low166 Ų166134.6 Ų134.677%0.76978%0.783SS**  trans-81.6154.1161.9-127.3-64.3000109.1
252P42.9Very low39.2Very low123 Ų123137.8 Ų137.880%0.79979%0.788SS**  -144.2-156.588.639-21.6000113
253A39Very low39.3Very low85 Ų85137.2 Ų137.270%0.70278%0.782SS**  trans-105.2162-168.500000114.6
254A35.1Very low39.6Very low96 Ų96140.1 Ų140.179%0.79379%0.786SS**  trans21.5127.6152.900000121.2
255V41.2Very low39.5Very low155 Ų155141.5 Ų141.594%0.93979%0.787SS**  trans-162164.7130.2131.30000110.9
256A38.4Very low39.2Very low85 Ų85144 Ų14470%0.70280%0.797SS**  trans-79.3154.8-161.600000117.6
257Y30.5Very low39.1Very low191 Ų191139.2 Ų139.275%0.74979%0.789SS**  trans37.4119.4131.5-171.3-88.3000119.9
258R39.6Very low39.2Very low234 Ų234143 Ų14388%0.88380%0.798SS**  -161.4140.6129.6-84.4-124.9167.7-161.2-5.8112.2
259P43Very low39Very low92 Ų92141.8 Ų141.860%0.59779%0.794SS**  trans-104.8-174.7169.840.6-34.6000113
260D37Very low39.3Very low131 Ų131136 Ų13670%0.70179%0.791SS**  trans93.1116.9165.2-16521.3000118.7V262D260-V262 WeakPolarHBondContact OD1-CG2 3.29Å; D260-V262 PolarHBondContact OD1-N 3.33Å
261V46.1Very low39.3Very low151 Ų151137.2 Ų137.292%0.91579%0.794SS**  trans-146.998.8148.6-172.40000108.7
262V42.1Very low39.5Very low135 Ų135133.9 Ų133.982%0.81879%0.789SS**  trans-102.9132.7172.6170.20000111.9D260D260-V262 WeakPolarHBondContact OD1-CG2 3.29Å; D260-V262 PolarHBondContact OD1-N 3.33Å
263G38.8Very low39.4Very low60 Ų60132.7 Ų132.762%0.61978%0.783SS**  trans133.7139.7137.300000119.7
264R41.1Very low39.9Very low244 Ų244135 Ų13592%0.92179%0.789SS**  trans71.2141.6162.7-56179.4175.8-168.9-2.6114.6
265L43.3Very low40.3Very low167 Ų167135.9 Ų135.987%0.87479%0.786SS**  cis-131150.533-74.4155.4000114.4
266N36.5Very low40.4Very low164 Ų164134.5 Ų134.588%0.87778%0.78SS**  trans-96.6146.6161.5-80.7-22.2000109.4
267A40.9Very low40.2Very low88 Ų88134 Ų13473%0.72778%0.783SS**  158.7159.4109.600000114.1
268V40.7Very low40.6Very low151 Ų151130.3 Ų130.392%0.91579%0.793SS**  trans68117.5163.7-164.40000118.3
269G35.2Very low40.7Very low70 Ų70122.9 Ų122.972%0.72278%0.781SS**  trans142.581.8138.300000120.1
270A40.6Very low40.7Very low92 Ų92122.8 Ų122.876%0.7678%0.779SS**  trans67.2126.4147.800000122.3
271F38.9Very low41Very low202 Ų202120.4 Ų120.489%0.88678%0.778SS**  trans56.3147.6148.4109.4-80.1000120
272S39.6Very low40.9Very low95 Ų95116.8 Ų116.866%0.66476%0.764SS**  cis-158.4159.1-25.3-169.20000108.3
273S41Very low41.1Very low98 Ų98112.4 Ų112.469%0.68574%0.741SS**  trans47.2102.2170.252.70000118.3
274V49.5Very low41.5Very low134 Ų134115.7 Ų115.781%0.81274%0.744SS**  64.9126.857.7-178.90000112.6
275P42.2Very low42.1Very low115 Ų115110.1 Ų110.175%0.74773%0.733SS**  cis-138.1-135.6-15.844.2-22.6000113.6
276P42.8Very low42.1Very low125 Ų125104.7 Ų104.781%0.81271%0.711SS**  trans-118.7168.5-135.634.5-11.5000116.6
277G35.3Very low42.4Very low74 Ų7499.2 Ų99.276%0.76369%0.689SS**  trans-148.549.9179.800000114.3A279G277-A279 VanDerWaalsContact C-N 3.32Å; G277-A279 PolarHBondContact O-N 3.08Å
278A38.3Very low42.7Very low115 Ų11597.2 Ų97.295%0.9567%0.673SS**  trans-76.575-178.400000112.5
279A41.3Very low43Very low77 Ų7792.3 Ų92.364%0.63665%0.648SS**  trans-142.6136.1178.900000113.8G277G277-A279 VanDerWaalsContact C-N 3.32Å; G277-A279 PolarHBondContact O-N 3.08Å
280T44.3Very low43.3Very low91 Ų9194.1 Ų94.156%0.55864%0.641SS**  trans57.778.7148.955.70000119.2A282 A283T280-A282 PolarHBondContact O-N 3.43Å; T280-A283 HydrophobicContact CG2-CB 4.41Å; T280-A283 PolarHBondContact O-N 3.48Å; T280-A283 VanDerWaalsContact O-N 3.09Å; T280-A283 VanDerWaalsContact OG1-CB 3.27Å; T280-A283 WeakPolarHBondContact OG1-CB 3.37Å
281A43.2Very low43.7Very low81 Ų8192.9 Ų92.967%0.66963%0.627SS**Hα-helixtrans-55.7-30.7153.700000112A283 L284A281-A283 VanDerWaalsContact C-N 3.3Å; A281-A283 PolarHBondContact O-N 3.37Å; A281-L284 PolarHBondContact O-N 2.86Å
282A44Very low44.2Very low75 Ų7588.6 Ų88.662%0.6261%0.612SS**Hα-helixtrans-62.5-30.4174.100000114T280 L284 N285 A286T280-A282 PolarHBondContact O-N 3.43Å; A282-L284 VanDerWaalsContact C-N 3.33Å; A282-L284 PolarHBondContact O-N 3.42Å; A282-N285 PolarHBondContact O-N 2.99Å; A282-A286 PolarHBondContact O-N 3.33Å
283A45.2Very low44.4Very low42 Ų4293.5 Ų93.535%0.34762%0.616SS.*Hα-helixtrans-73.1-26-179.200000112.3T280 A281 A286 A287T280-A283 HydrophobicContact CG2-CB 4.41Å; T280-A283 PolarHBondContact O-N 3.48Å; T280-A283 VanDerWaalsContact O-N 3.09Å; T280-A283 VanDerWaalsContact OG1-CB 3.27Å; T280-A283 WeakPolarHBondContact OG1-CB 3.37Å; A281-A283 VanDerWaalsContact C-N 3.3Å; A281-A283 PolarHBondContact O-N 3.37Å; A283-A286 PolarHBondContact O-N 3.32Å; A283-A287 WeakPolarHBondContact O-CB 3.3Å; A283-A287 PolarHBondContact O-N 2.93Å
284L48.6Very low44.6Very low130 Ų13092.2 Ų92.268%0.68161%0.607SS**Hα-helixtrans-65.9-39175.2-62.6175.7000111.4A281 A282 A288A281-L284 PolarHBondContact O-N 2.86Å; A282-L284 VanDerWaalsContact C-N 3.33Å; A282-L284 PolarHBondContact O-N 3.42Å; L284-A288 WeakPolarHBondContact O-CB 3.42Å; L284-A288 PolarHBondContact O-N 3.44Å
285N52Low44.6Very low127 Ų12789.5 Ų89.568%0.67959%0.594SS**Hα-helixtrans-72.4-36.1174.9-75.3-15.1000112.6A282 A288 A289A282-N285 PolarHBondContact O-N 2.99Å; N285-A288 PolarHBondContact O-N 3.23Å; N285-A289 PolarHBondContact O-N 3.15Å; N285-A289 VanDerWaalsContact O-N 3.1Å
286A44.1Very low44.9Very low52 Ų5287.6 Ų87.643%0.4358%0.583SS.*Hα-helixtrans-63.7-49172.100000111.3A282 A283 A288 A289 D290A282-A286 PolarHBondContact O-N 3.33Å; A283-A286 PolarHBondContact O-N 3.32Å; A286-A288 VanDerWaalsContact C-N 3.28Å; A286-A288 PolarHBondContact O-N 3.05Å; A286-A289 WeakPolarHBondContact O-CB 3.43Å; A286-A289 PolarHBondContact O-N 2.96Å; A286-A289 VanDerWaalsContact O-N 3.07Å; A286-D290 PolarHBondContact O-N 2.84Å
287A42.9Very low45.2Very low50 Ų5086.8 Ų86.841%0.41357%0.572SS.*Hα-helixtrans-60.6-34.9176.400000112.5A283 S291A283-A287 WeakPolarHBondContact O-CB 3.3Å; A283-A287 PolarHBondContact O-N 2.93Å; A287-S291 WeakPolarHBondContact O-CB 3.42Å; A287-S291 PolarHBondContact O-N 2.86Å; A287-S291 PolarHBondContact O-OG 3.27Å
288A46.1Very low45.9Very low46 Ų4685.6 Ų85.638%0.3855%0.554SS.*Hα-helixtrans-65.2-42.3172.600000112.3L284 N285 A286 S291 I292L284-A288 WeakPolarHBondContact O-CB 3.42Å; L284-A288 PolarHBondContact O-N 3.44Å; N285-A288 PolarHBondContact O-N 3.23Å; A286-A288 VanDerWaalsContact C-N 3.28Å; A286-A288 PolarHBondContact O-N 3.05Å; A288-S291 PolarHBondContact O-N 2.99Å; A288-I292 WeakPolarHBondContact O-CG1 3.41Å; A288-I292 PolarHBondContact O-N 3.46Å
289A47.1Very low46.4Very low48 Ų4882.7 Ų82.740%0.39753%0.53SS..Hα-helixtrans-63.5-50.2175.400000111.5N285 A286 S291 I292 W293N285-A289 PolarHBondContact O-N 3.15Å; N285-A289 VanDerWaalsContact O-N 3.1Å; A286-A289 WeakPolarHBondContact O-CB 3.43Å; A286-A289 PolarHBondContact O-N 2.96Å; A286-A289 VanDerWaalsContact O-N 3.07Å; A289-S291 VanDerWaalsContact C-N 3.26Å; A289-S291 PolarHBondContact O-N 3.18Å; A289-I292 PolarHBondContact O-N 2.92Å; A289-I292 VanDerWaalsContact O-N 3.15Å; A289-W293 VanDerWaalsContact O-CD1 3.26Å; A289-W293 PolarHBondContact O-N 3.36Å; A289-W293 VanDerWaalsContact O-N 3.14Å
290D42.1Very low46.8Very low108 Ų10881.7 Ų81.758%0.57852%0.522SS*.Hα-helixtrans-63.4-31.4176.6-74.9-35.2000112.3A286 S294A286-D290 PolarHBondContact O-N 2.84Å; D290-S294 WeakPolarHBondContact O-CB 3.44Å; D290-S294 PolarHBondContact O-N 3.27Å; D290-S294 PolarHBondContact O-OG 3.02Å
291S50.3Low47.2Very low66 Ų6682.9 Ų82.946%0.46252%0.522SS..Hα-helixtrans-67.7-38.3173.4-64.90000112.5A287 A288 A289 S295A287-S291 WeakPolarHBondContact O-CB 3.42Å; A287-S291 PolarHBondContact O-N 2.86Å; A287-S291 PolarHBondContact O-OG 3.27Å; A288-S291 PolarHBondContact O-N 2.99Å; A289-S291 VanDerWaalsContact C-N 3.26Å; A289-S291 PolarHBondContact O-N 3.18Å; S291-S295 WeakPolarHBondContact O-CB 3.5Å; S291-S295 PolarHBondContact O-N 2.91Å; S291-S295 PolarHBondContact O-OG 2.84Å
292I48.8Very low47.9Very low111 Ų11183.5 Ų83.557%0.56952%0.517SS*.Hα-helixtrans-67-41.7176.9-69.9163000110.8A288 A289 S296A288-I292 WeakPolarHBondContact O-CG1 3.41Å; A288-I292 PolarHBondContact O-N 3.46Å; A289-I292 PolarHBondContact O-N 2.92Å; A289-I292 VanDerWaalsContact O-N 3.15Å; I292-S296 WeakPolarHBondContact O-CB 3.48Å; I292-S296 PolarHBondContact O-N 3.37Å; I292-S296 PolarHBondContact O-OG 2.83Å
293W42.6Very low48.6Very low199 Ų19984.5 Ų84.575%0.75452%0.515SS*.Hα-helixtrans-73.1-39.5178-73.863.7000111.7A289 S296 L297A289-W293 VanDerWaalsContact O-CD1 3.26Å; A289-W293 PolarHBondContact O-N 3.36Å; A289-W293 VanDerWaalsContact O-N 3.14Å; W293-S296 PolarHBondContact O-N 3.48Å; W293-L297 VanDerWaalsContact O-CB 3.29Å; W293-L297 WeakPolarHBondContact O-CB 3.14Å; W293-L297 PolarHBondContact O-N 3.08Å
294S45.5Very low49.3Very low71 Ų7187 Ų8750%0.49752%0.522SS..Hα-helixtrans-64.6-40.7173.1-61.30000112D290 L297 A298D290-S294 WeakPolarHBondContact O-CB 3.44Å; D290-S294 PolarHBondContact O-N 3.27Å; D290-S294 PolarHBondContact O-OG 3.02Å; S294-L297 PolarHBondContact O-N 3.47Å; S294-A298 WeakPolarHBondContact O-CB 3.45Å; S294-A298 PolarHBondContact O-N 3.06Å
295S49.4Very low50.4Low77 Ų7786 Ų8654%0.53852%0.517SS..Hα-helixtrans-63.4-41.3174-61.40000111.6S291 A299S291-S295 WeakPolarHBondContact O-CB 3.5Å; S291-S295 PolarHBondContact O-N 2.91Å; S291-S295 PolarHBondContact O-OG 2.84Å; S295-A299 VanDerWaalsContact O-CB 3.23Å; S295-A299 WeakPolarHBondContact O-CB 3.41Å; S295-A299 PolarHBondContact O-N 3.46Å
296S48.9Very low51.2Low74 Ų7484.2 Ų84.252%0.51751%0.505SS..Hα-helixtrans-67.7-37.3176-58.60000112.3I292 W293 A300I292-S296 WeakPolarHBondContact O-CB 3.48Å; I292-S296 PolarHBondContact O-N 3.37Å; I292-S296 PolarHBondContact O-OG 2.83Å; W293-S296 PolarHBondContact O-N 3.48Å; S296-A300 VanDerWaalsContact O-CB 3.3Å; S296-A300 WeakPolarHBondContact O-CB 3.46Å; S296-A300 PolarHBondContact O-N 3.21Å
297L50.2Low52.3Low109 Ų10984.9 Ų84.957%0.57151%0.506SS*.Hα-helixtrans-72-40.8176.9-174.363.7000111.7W293 S294 A300 Q301W293-L297 VanDerWaalsContact O-CB 3.29Å; W293-L297 WeakPolarHBondContact O-CB 3.14Å; W293-L297 PolarHBondContact O-N 3.08Å; S294-L297 PolarHBondContact O-N 3.47Å; L297-A300 PolarHBondContact O-N 2.9Å; L297-Q301 WeakPolarHBondContact O-CB 3.48Å; L297-Q301 WeakPolarHBondContact O-CG 3.49Å; L297-Q301 PolarHBondContact O-N 3.1Å
298A48.5Very low53.2Low48 Ų4885.5 Ų85.540%0.39750%0.502SS..Hα-helixtrans-64.8-44.5173.500000111.1S294 A300 Q301 V302S294-A298 WeakPolarHBondContact O-CB 3.45Å; S294-A298 PolarHBondContact O-N 3.06Å; A298-A300 VanDerWaalsContact C-N 3.34Å; A298-A300 PolarHBondContact O-N 3.49Å; A298-Q301 CarbonylContact O-C 3.58Å; A298-Q301 PolarHBondContact O-N 3.04Å; A298-Q301 VanDerWaalsContact O-N 3.16Å; A298-V302 WeakPolarHBondContact O-CG2 3.22Å; A298-V302 PolarHBondContact O-N 3.3Å
299A50Low54.3Low54 Ų5487.7 Ų87.745%0.44651%0.506SS..Hα-helixtrans-61.4-41.5173.100000111.9S295 Q301 V302 V303S295-A299 VanDerWaalsContact O-CB 3.23Å; S295-A299 WeakPolarHBondContact O-CB 3.41Å; S295-A299 PolarHBondContact O-N 3.46Å; A299-Q301 VanDerWaalsContact C-N 3.34Å; A299-Q301 PolarHBondContact O-N 2.89Å; A299-V302 PolarHBondContact O-N 3.19Å; A299-V303 WeakPolarHBondContact O-CG2 3.42Å; A299-V303 PolarHBondContact O-N 3.18Å
300A49.3Very low55.3Low56 Ų5692.1 Ų92.146%0.46351%0.513SS..Hα-helixtrans-64.5-36.8173.600000112.4S296 L297 A298 N304S296-A300 VanDerWaalsContact O-CB 3.3Å; S296-A300 WeakPolarHBondContact O-CB 3.46Å; S296-A300 PolarHBondContact O-N 3.21Å; L297-A300 PolarHBondContact O-N 2.9Å; A298-A300 VanDerWaalsContact C-N 3.34Å; A298-A300 PolarHBondContact O-N 3.49Å; A300-N304 VanDerWaalsContact O-CB 3.22Å; A300-N304 WeakPolarHBondContact O-CB 3.19Å; A300-N304 PolarHBondContact O-N 3.26Å
301Q52.2Low56.7Low117 Ų11790.7 Ų90.755%0.54751%0.505SS..Hα-helixtrans-66.5-44.3171.9-77.3-174.1-4.700111.6L297 A298 A299 N304 L305L297-Q301 WeakPolarHBondContact O-CB 3.48Å; L297-Q301 WeakPolarHBondContact O-CG 3.49Å; L297-Q301 PolarHBondContact O-N 3.1Å; A298-Q301 CarbonylContact O-C 3.58Å; A298-Q301 PolarHBondContact O-N 3.04Å; A298-Q301 VanDerWaalsContact O-N 3.16Å; A299-Q301 VanDerWaalsContact C-N 3.34Å; A299-Q301 PolarHBondContact O-N 2.89Å; Q301-N304 CarbonylContact O-C 3.56Å; Q301-N304 WeakPolarHBondContact O-CB 3.47Å; Q301-N304 PolarHBondContact O-N 3.49Å; Q301-N304 VanDerWaalsContact O-N 3.16Å; Q301-L305 WeakPolarHBondContact O-CB 3.48Å; Q301-L305 WeakPolarHBondContact O-CD1 3.31Å; Q301-L305 PolarHBondContact O-N 3.05Å
302V57.7Low57.5Low94 Ų9490.8 Ų90.857%0.5750%0.501SS*.Hα-helixtrans-61.6-45176.4170.20000111.2A298 A299 N304 L305 Q306A298-V302 WeakPolarHBondContact O-CG2 3.22Å; A298-V302 PolarHBondContact O-N 3.3Å; A299-V302 PolarHBondContact O-N 3.19Å; V302-N304 VanDerWaalsContact C-N 3.3Å; V302-N304 PolarHBondContact O-N 3.44Å; V302-L305 PolarHBondContact O-N 3Å; V302-Q306 VanDerWaalsContact O-CB 3.31Å; V302-Q306 WeakPolarHBondContact O-CB 3.36Å; V302-Q306 PolarHBondContact O-N 3.18Å
303V59.2Low58.6Low96 Ų9690.5 Ų90.558%0.58250%0.497SS*.Hα-helixtrans-64-36.2175.3173.90000111.3A299 S307A299-V303 WeakPolarHBondContact O-CG2 3.42Å; A299-V303 PolarHBondContact O-N 3.18Å; V303-S307 WeakPolarHBondContact O-CB 3.19Å; V303-S307 PolarHBondContact O-N 3.12Å; V303-S307 PolarHBondContact O-OG 3.1Å
304N60.5Low59.6Low94 Ų9483.5 Ų83.550%0.50348%0.481SS..Hα-helixtrans-69.5-41.3175.1-170.643.4000112.4A300 Q301 V302 S307 L308A300-N304 VanDerWaalsContact O-CB 3.22Å; A300-N304 WeakPolarHBondContact O-CB 3.19Å; A300-N304 PolarHBondContact O-N 3.26Å; Q301-N304 CarbonylContact O-C 3.56Å; Q301-N304 WeakPolarHBondContact O-CB 3.47Å; Q301-N304 PolarHBondContact O-N 3.49Å; Q301-N304 VanDerWaalsContact O-N 3.16Å; V302-N304 VanDerWaalsContact C-N 3.3Å; V302-N304 PolarHBondContact O-N 3.44Å; N304-S307 PolarHBondContact O-N 2.96Å; N304-L308 WeakPolarHBondContact O-CB 3.45Å; N304-L308 WeakPolarHBondContact O-CG 3.46Å; N304-L308 PolarHBondContact O-N 3.47Å
305L70.1Confident60.7Low110 Ų11082.2 Ų82.258%0.57647%0.471SS*.Hα-helixtrans-66.1-42.4174.4-9576.2000111.4Q301 V302 S307 L308 M309Q301-L305 WeakPolarHBondContact O-CB 3.48Å; Q301-L305 WeakPolarHBondContact O-CD1 3.31Å; Q301-L305 PolarHBondContact O-N 3.05Å; V302-L305 PolarHBondContact O-N 3Å; L305-S307 VanDerWaalsContact C-N 3.33Å; L305-S307 PolarHBondContact O-N 3.45Å; L305-L308 CarbonylContact O-C 3.56Å; L305-L308 PolarHBondContact O-N 2.74Å; L305-M309 WeakPolarHBondContact O-CB 3.36Å; L305-M309 PolarHBondContact O-N 3Å
306Q69.3Low61.3Low88 Ų8882.2 Ų82.241%0.41146%0.464SS..Hα-helixtrans-63.1-40.9174.9-166.367.134.900111.2V302 M309 Y310V302-Q306 VanDerWaalsContact O-CB 3.31Å; V302-Q306 WeakPolarHBondContact O-CB 3.36Å; V302-Q306 PolarHBondContact O-N 3.18Å; Q306-M309 PolarHBondContact O-N 3.2Å; Q306-Y310 HydrophobicContact CG-CD2 4.13Å; Q306-Y310 HydrophobicContact CG-CE2 4.13Å; Q306-Y310 WeakPolarHBondContact O-CD2 3.45Å; Q306-Y310 PolarHBondContact O-N 3.19Å
307S67Low61.9Low66 Ų6681.5 Ų81.546%0.46246%0.463SS..Hα-helixtrans-64.2-40.4174.1-570000111.9V303 N304 L305 L311V303-S307 WeakPolarHBondContact O-CB 3.19Å; V303-S307 PolarHBondContact O-N 3.12Å; V303-S307 PolarHBondContact O-OG 3.1Å; N304-S307 PolarHBondContact O-N 2.96Å; L305-S307 VanDerWaalsContact C-N 3.33Å; L305-S307 PolarHBondContact O-N 3.45Å; S307-L311 VanDerWaalsContact O-CB 3.25Å; S307-L311 WeakPolarHBondContact O-CB 3.32Å; S307-L311 PolarHBondContact O-N 3.43Å
308L62.9Low62.4Low63 Ų6380 Ų8033%0.3346%0.461SS..Hα-helixtrans-66.7-38.4174-84161000112.2N304 L305 L311 N312N304-L308 WeakPolarHBondContact O-CB 3.45Å; N304-L308 WeakPolarHBondContact O-CG 3.46Å; N304-L308 PolarHBondContact O-N 3.47Å; L305-L308 CarbonylContact O-C 3.56Å; L305-L308 PolarHBondContact O-N 2.74Å; L308-L311 PolarHBondContact O-N 2.81Å; L308-N312 VanDerWaalsContact O-CB 3.26Å; L308-N312 WeakPolarHBondContact O-CB 3.35Å; L308-N312 VanDerWaalsContact O-CG 3.28Å; L308-N312 PolarHBondContact O-N 3.3Å
309M69.2Low62.7Low92 Ų9281 Ų8145%0.45346%0.459SS..Hα-helixtrans-64-47.9176.2-168-159.280.100110.7L305 Q306 N312 Q313L305-M309 WeakPolarHBondContact O-CB 3.36Å; L305-M309 PolarHBondContact O-N 3Å; Q306-M309 PolarHBondContact O-N 3.2Å; M309-N312 PolarHBondContact O-N 3.48Å; M309-Q313 VanDerWaalsContact O-CB 3.29Å; M309-Q313 WeakPolarHBondContact O-CB 3.41Å; M309-Q313 PolarHBondContact O-N 2.81Å
310Y67.3Low63.1Low142 Ų14284.7 Ų84.756%0.55747%0.467SS*.Hα-helixtrans-64.1-39.2174.8-86.4-64.1000112.7Q306 Q313 A314Q306-Y310 HydrophobicContact CG-CD2 4.13Å; Q306-Y310 HydrophobicContact CG-CE2 4.13Å; Q306-Y310 WeakPolarHBondContact O-CD2 3.45Å; Q306-Y310 PolarHBondContact O-N 3.19Å; Y310-Q313 PolarHBondContact O-N 3.47Å; Y310-A314 WeakPolarHBondContact O-CB 3.44Å; Y310-A314 PolarHBondContact O-N 3.11Å
311L71.6Confident63.7Low78 Ų7886.3 Ų86.341%0.40848%0.48SS..Hα-helixtrans-68-40.4177.3-172.164.9000111.9L188 S307 L308 A314 T315L188-L311 HydrophobicContact CD1-CD2 4.09Å; L188-L311 HydrophobicContact CD2-CD2 4.4Å; S307-L311 VanDerWaalsContact O-CB 3.25Å; S307-L311 WeakPolarHBondContact O-CB 3.32Å; S307-L311 PolarHBondContact O-N 3.43Å; L308-L311 PolarHBondContact O-N 2.81Å; L311-A314 PolarHBondContact O-N 2.72Å; L311-T315 VanDerWaalsContact O-CB 3.3Å; L311-T315 WeakPolarHBondContact O-CB 3.4Å; L311-T315 PolarHBondContact O-N 2.81Å; L311-T315 PolarHBondContact O-OG1 3.06Å
312N68.1Low63.9Low68 Ų6884 Ų8436%0.36448%0.477SS..Hα-helixtrans-65.1-41.5172.9-77.5-8.4000111.1L308 M309 T315 L316L308-N312 VanDerWaalsContact O-CB 3.26Å; L308-N312 WeakPolarHBondContact O-CB 3.35Å; L308-N312 VanDerWaalsContact O-CG 3.28Å; L308-N312 PolarHBondContact O-N 3.3Å; M309-N312 PolarHBondContact O-N 3.48Å; N312-T315 PolarHBondContact O-N 3.48Å; N312-L316 WeakPolarHBondContact O-CB 3.49Å; N312-L316 VanDerWaalsContact O-CG 3.31Å; N312-L316 WeakPolarHBondContact O-CG 3.39Å; N312-L316 PolarHBondContact O-N 2.73Å
313Q72.2Confident63.3Low105 Ų10582.8 Ų82.849%0.49148%0.483SS..Hα-helixtrans-65.5-41.7177.1-171.5168.261.300111.9M309 Y310 T315 L316 A317M309-Q313 VanDerWaalsContact O-CB 3.29Å; M309-Q313 WeakPolarHBondContact O-CB 3.41Å; M309-Q313 PolarHBondContact O-N 2.81Å; Y310-Q313 PolarHBondContact O-N 3.47Å; Q313-T315 VanDerWaalsContact C-N 3.34Å; Q313-L316 PolarHBondContact O-N 3.28Å; Q313-A317 WeakPolarHBondContact O-CB 3.21Å; Q313-A317 PolarHBondContact O-N 2.77Å
314A63.6Low63.1Low52 Ų5283.7 Ų83.743%0.4348%0.484SS..Hα-helixtrans-64.9-36.2172.100000112.4Y310 L311 S318Y310-A314 WeakPolarHBondContact O-CB 3.44Å; Y310-A314 PolarHBondContact O-N 3.11Å; L311-A314 PolarHBondContact O-N 2.72Å; A314-S318 WeakPolarHBondContact O-CB 3.37Å; A314-S318 PolarHBondContact O-N 2.91Å; A314-S318 PolarHBondContact O-OG 3.4Å
315T66.7Low62.7Low44 Ų4484.8 Ų84.827%0.2750%0.497SS..Hα-helixtrans-69.3-43.4176.2-57.80000111.4L311 N312 Q313 S318 I319L311-T315 VanDerWaalsContact O-CB 3.3Å; L311-T315 WeakPolarHBondContact O-CB 3.4Å; L311-T315 PolarHBondContact O-N 2.81Å; L311-T315 PolarHBondContact O-OG1 3.06Å; N312-T315 PolarHBondContact O-N 3.48Å; Q313-T315 VanDerWaalsContact C-N 3.34Å; T315-S318 WeakPolarHBondContact O-CB 3.24Å; T315-S318 PolarHBondContact O-N 2.99Å; T315-I319 HydrophobicContact CG2-CD1 4.03Å; T315-I319 VanDerWaalsContact O-CG1 3.3Å; T315-I319 WeakPolarHBondContact O-CG1 3.35Å; T315-I319 PolarHBondContact O-N 3.36Å
316L63.9Low61.8Low76 Ų7683.8 Ų83.840%0.39850%0.504SS..Hα-helixtrans-63.2-43.5174.4-73.4168.4000111.5N312 Q313 S318 I319 H320N312-L316 WeakPolarHBondContact O-CB 3.49Å; N312-L316 VanDerWaalsContact O-CG 3.31Å; N312-L316 WeakPolarHBondContact O-CG 3.39Å; N312-L316 PolarHBondContact O-N 2.73Å; Q313-L316 PolarHBondContact O-N 3.28Å; L316-S318 VanDerWaalsContact C-N 3.29Å; L316-S318 PolarHBondContact O-N 2.79Å; L316-I319 PolarHBondContact O-N 2.98Å; L316-H320 PolarHBondContact O-CD2 3.29Å; L316-H320 PolarHBondContact O-N 2.93Å
317A61.4Low61.2Low60 Ų6081.8 Ų81.850%0.49650%0.503SS..Hα-helixtrans-59.5-39.6172.100000112Q313 H320 A321Q313-A317 WeakPolarHBondContact O-CB 3.21Å; Q313-A317 PolarHBondContact O-N 2.77Å; A317-H320 PolarHBondContact O-N 3.36Å; A317-A321 VanDerWaalsContact O-CB 3.29Å; A317-A321 WeakPolarHBondContact O-CB 3.38Å; A317-A321 PolarHBondContact O-N 3.06Å
318S59.8Low60.7Low76 Ų7682.1 Ų82.153%0.53151%0.505SS..Hα-helixtrans-67.9-37.5175.8-560000112.6A314 T315 L316 A321 S322A314-S318 WeakPolarHBondContact O-CB 3.37Å; A314-S318 PolarHBondContact O-N 2.91Å; A314-S318 PolarHBondContact O-OG 3.4Å; T315-S318 WeakPolarHBondContact O-CB 3.24Å; T315-S318 PolarHBondContact O-N 2.99Å; L316-S318 VanDerWaalsContact C-N 3.29Å; L316-S318 PolarHBondContact O-N 2.79Å; S318-A321 PolarHBondContact O-N 2.91Å; S318-S322 WeakPolarHBondContact O-CB 3.44Å; S318-S322 PolarHBondContact O-N 3.36Å
319I54.8Low60.5Low69 Ų6982.6 Ų82.635%0.35452%0.518SS..Hα-helixtrans-65.5-47.2175.2-70.4163.7000110.1T315 L316 A321 S322T315-I319 HydrophobicContact CG2-CD1 4.03Å; T315-I319 VanDerWaalsContact O-CG1 3.3Å; T315-I319 WeakPolarHBondContact O-CG1 3.35Å; T315-I319 PolarHBondContact O-N 3.36Å; L316-I319 PolarHBondContact O-N 2.98Å; I319-A321 VanDerWaalsContact C-N 3.32Å; I319-A321 PolarHBondContact O-N 3.46Å; I319-S322 PolarHBondContact O-N 3.03Å; I319-S322 VanDerWaalsContact O-N 3.09Å; I319-S322 PolarHBondContact O-OG 3.2Å
320H59Low60Low133 Ų13383.2 Ų83.262%0.61652%0.523SS*.Hα-helixtrans-60.9-39.8174.9-78.6-131.1000111.9L316 A317 S322 G323L316-H320 PolarHBondContact O-CD2 3.29Å; L316-H320 PolarHBondContact O-N 2.93Å; A317-H320 PolarHBondContact O-N 3.36Å; H320-S322 VanDerWaalsContact C-N 3.27Å; H320-S322 PolarHBondContact O-N 3.34Å; H320-G323 PolarHBondContact O-N 3.48Å
321A60.7Low59.9Low89 Ų8981.9 Ų81.974%0.73652%0.518SS*.Hα-helixtrans-68.6-21.6175.500000113.8A317 S318 I319A317-A321 VanDerWaalsContact O-CB 3.29Å; A317-A321 WeakPolarHBondContact O-CB 3.38Å; A317-A321 PolarHBondContact O-N 3.06Å; S318-A321 PolarHBondContact O-N 2.91Å; I319-A321 VanDerWaalsContact C-N 3.32Å; I319-A321 PolarHBondContact O-N 3.46Å
322S57.6Low59.1Low68 Ų6883.4 Ų83.448%0.47652%0.522SS..THydrogen-bonded Turntrans-84.7-3.1178.971.20000114.8S318 I319 H320 L324S318-S322 WeakPolarHBondContact O-CB 3.44Å; S318-S322 PolarHBondContact O-N 3.36Å; I319-S322 PolarHBondContact O-N 3.03Å; I319-S322 VanDerWaalsContact O-N 3.09Å; I319-S322 PolarHBondContact O-OG 3.2Å; H320-S322 VanDerWaalsContact C-N 3.27Å; H320-S322 PolarHBondContact O-N 3.34Å; S322-L324 PolarHBondContact O-N 3.45Å
323G45.4Very low58.9Low69 Ų6987.7 Ų87.771%0.71154%0.542SS*.THydrogen-bonded Turntrans66.114.4176.500000115.2H320H320-G323 PolarHBondContact O-N 3.48Å
324L54Low58.7Low115 Ų11590.8 Ų90.860%0.60255%0.554SS**PPolyproline II helixtrans-64.5145.3174.4-72.4171.3000110.5S322S322-L324 PolarHBondContact O-N 3.45Å
325P52.1Low58.7Low118 Ų11890.4 Ų90.477%0.76655%0.545SS*.PPolyproline II helixtrans-59.1143.9176.626.1-34.6000110.5
326A52.2Low58.2Low88 Ų8891.3 Ų91.373%0.72756%0.557SS**PPolyproline II helixtrans-55144.1-179.700000111.5
327A55Low57.9Low47 Ų4796.2 Ų96.239%0.38858%0.582SS.*PPolyproline II helixtrans-54.7144.917500000110.7W331A327-W331 HydrophobicContact CB-CB 4.24Å; A327-W331 HydrophobicContact CB-CD2 3.91Å; A327-W331 HydrophobicContact CB-CE3 3.56Å; A327-W331 HydrophobicContact CB-CG 4.21Å; A327-W331 HydrophobicContact CB-CZ3 4.26Å
328S58.1Low57.6Low72 Ų72100.4 Ų100.450%0.50360%0.596SS.*PPolyproline II helixtrans-56.4152.4-174.9630000112.3D330 W331 Q332S328-D330 PolarHBondContact O-N 2.9Å; S328-D330 VanDerWaalsContact O-N 3.14Å; S328-W331 WeakPolarHBondContact O-CA 3.46Å; S328-W331 WeakPolarHBondContact O-CB 3.4Å; S328-W331 PolarHBondContact O-N 3.02Å; S328-Q332 PolarHBondContact O-N 2.9Å
329A57.7Low57.2Low73 Ų7399.4 Ų99.460%0.60359%0.586SS**Hα-helixtrans-53.8-36.7-179.600000112.4W331 Q332 M333A329-W331 VanDerWaalsContact C-N 3.34Å; A329-W331 PolarHBondContact O-N 3.43Å; A329-Q332 PolarHBondContact O-N 3.02Å; A329-M333 WeakPolarHBondContact O-CB 3.49Å; A329-M333 PolarHBondContact O-N 3.37Å
330D58.7Low56.7Low105 Ų10598.8 Ų98.856%0.56159%0.588SS**Hα-helixtrans-60.5-38.9173.3-63.2-56.4000113.5S328 K334S328-D330 PolarHBondContact O-N 2.9Å; S328-D330 VanDerWaalsContact O-N 3.14Å; D330-K334 WeakPolarHBondContact O-CB 3.41Å; D330-K334 WeakPolarHBondContact O-CD 3.39Å; D330-K334 VanDerWaalsContact O-CG 3.23Å; D330-K334 WeakPolarHBondContact O-CG 3.37Å; D330-K334 PolarHBondContact O-N 3.37Å; D330-K334 VanDerWaalsContact O-N 3.13Å
331W66.2Low56.4Low115 Ų11597.6 Ų97.644%0.43659%0.592SS.*Hα-helixtrans-72.5-40.4177.7-170.997.2000110.7A327 S328 A329 K334 N335A327-W331 HydrophobicContact CB-CB 4.24Å; A327-W331 HydrophobicContact CB-CD2 3.91Å; A327-W331 HydrophobicContact CB-CE3 3.56Å; A327-W331 HydrophobicContact CB-CG 4.21Å; A327-W331 HydrophobicContact CB-CZ3 4.26Å; S328-W331 WeakPolarHBondContact O-CA 3.46Å; S328-W331 WeakPolarHBondContact O-CB 3.4Å; S328-W331 PolarHBondContact O-N 3.02Å; A329-W331 VanDerWaalsContact C-N 3.34Å; A329-W331 PolarHBondContact O-N 3.43Å; W331-K334 PolarHBondContact O-N 2.9Å; W331-N335 VanDerWaalsContact CE2-ND2 3.32Å; W331-N335 HydrophobicContact CE3-CB 4.45Å; W331-N335 HydrophobicContact CH2-CB 4.36Å; W331-N335 HydrophobicContact CZ3-CB 4.25Å; W331-N335 WeakPolarHBondContact O-CB 3.38Å; W331-N335 PolarHBondContact O-N 3.17Å; W331-N335 VanDerWaalsContact O-N 3.11Å; W331-N335 PolarHBondContact O-ND2 3.14Å
332Q53.3Low55.8Low109 Ų109100.8 Ų100.851%0.50959%0.592SS.*Hα-helixtrans-63.9-46.7174.7-70-164.7-34.600111.7S328 A329 K334 N335 A336S328-Q332 PolarHBondContact O-N 2.9Å; A329-Q332 PolarHBondContact O-N 3.02Å; Q332-K334 VanDerWaalsContact C-N 3.35Å; Q332-K334 PolarHBondContact O-N 3.01Å; Q332-N335 CarbonylContact O-C 3.56Å; Q332-N335 PolarHBondContact O-N 3.25Å; Q332-A336 WeakPolarHBondContact O-CB 3.24Å; Q332-A336 PolarHBondContact O-N 3.29Å
333M64.6Low55.5Low159 Ų159100.9 Ų100.978%0.78359%0.59SS**Hα-helixtrans-58.1-44.1175.7-84.6-167.616200112.4A329 N335 A336A329-M333 WeakPolarHBondContact O-CB 3.49Å; A329-M333 PolarHBondContact O-N 3.37Å; M333-N335 VanDerWaalsContact C-N 3.29Å; M333-N335 PolarHBondContact O-N 2.88Å; M333-A336 PolarHBondContact O-N 2.91Å
334K68Low55.5Low170 Ų170104 Ų10474%0.73959%0.585SS**Hα-helixtrans-69.4-24-179.6-72.5167.3-173.6166.40113.7D330 W331 Q332D330-K334 WeakPolarHBondContact O-CB 3.41Å; D330-K334 WeakPolarHBondContact O-CD 3.39Å; D330-K334 VanDerWaalsContact O-CG 3.23Å; D330-K334 WeakPolarHBondContact O-CG 3.37Å; D330-K334 PolarHBondContact O-N 3.37Å; D330-K334 VanDerWaalsContact O-N 3.13Å; W331-K334 PolarHBondContact O-N 2.9Å; Q332-K334 VanDerWaalsContact C-N 3.35Å; Q332-K334 PolarHBondContact O-N 3.01Å
335N62.7Low55.1Low43 Ų43105.8 Ų105.823%0.2359%0.591CS.*Hα-helixtrans-106.42.1179.6-67.5-81.2000114W331 Q332 M333 L337 L338 V339W331-N335 VanDerWaalsContact CE2-ND2 3.32Å; W331-N335 HydrophobicContact CE3-CB 4.45Å; W331-N335 HydrophobicContact CH2-CB 4.36Å; W331-N335 HydrophobicContact CZ3-CB 4.25Å; W331-N335 WeakPolarHBondContact O-CB 3.38Å; W331-N335 PolarHBondContact O-N 3.17Å; W331-N335 VanDerWaalsContact O-N 3.11Å; W331-N335 PolarHBondContact O-ND2 3.14Å; Q332-N335 CarbonylContact O-C 3.56Å; Q332-N335 PolarHBondContact O-N 3.25Å; M333-N335 VanDerWaalsContact C-N 3.29Å; M333-N335 PolarHBondContact O-N 2.88Å; N335-L337 PolarHBondContact O-N 3.3Å; N335-L337 VanDerWaalsContact O-N 3.08Å; N335-L338 PolarHBondContact O-N 2.96Å; N335-V339 PolarHBondContact O-N 3.29Å; N335-V339 VanDerWaalsContact O-N 3.13Å
336A56.8Low54.8Low63 Ų63107 Ų10752%0.52159%0.59SS.*THydrogen-bonded Turntrans-58.7-24.9-177.300000114.1Q332 M333Q332-A336 WeakPolarHBondContact O-CB 3.24Å; Q332-A336 PolarHBondContact O-N 3.29Å; M333-A336 PolarHBondContact O-N 2.91Å
337L57Low54.5Low179 Ų179109.1 Ų109.194%0.93759%0.586SS**THydrogen-bonded Turntrans-83.5-13.7174.7-66.1173.4000114N335N335-L337 PolarHBondContact O-N 3.3Å; N335-L337 VanDerWaalsContact O-N 3.08Å
338L55.5Low54.2Low149 Ų149110.6 Ų110.678%0.7860%0.599SS**THydrogen-bonded Turntrans-95.8-23.5173.8-108.870.3000112.6N335 S340N335-L338 PolarHBondContact O-N 2.96Å; L338-S340 PolarHBondContact O-N 3.48Å
339V51.1Low53.7Low54 Ų54112.9 Ų112.933%0.32761%0.61SS.*SBendtrans-81.9112.4176.2178.40000109.3N335N335-V339 PolarHBondContact O-N 3.29Å; N335-V339 VanDerWaalsContact O-N 3.13Å
340S45.2Very low52.7Low57 Ų57112.9 Ų112.940%0.39962%0.617SS.*  trans-56134.7175.8174.70000111.1L338 Q342 T343L338-S340 PolarHBondContact O-N 3.48Å; S340-Q342 PolarHBondContact O-N 3.06Å; S340-T343 WeakPolarHBondContact O-CB 3.49Å; S340-T343 PolarHBondContact O-N 3.43Å; S340-T343 PolarHBondContact O-OG1 3.29Å
341P52Low51.8Low107 Ų107112.6 Ų112.670%0.69563%0.629SS**THydrogen-bonded Turntrans-55.2-25178.3-28.235.5000114.5T343 H344P341-T343 PolarHBondContact O-N 3.02Å; P341-H344 PolarHBondContact O-N 3.49Å; P341-H344 VanDerWaalsContact O-N 3.14Å
342Q49.4Very low50.2Low157 Ų157110.7 Ų110.773%0.73465%0.645SS**Hα-helixtrans-59.8-25.7175.8-69.2175.9-28.100112.9S340 H344 Q345S340-Q342 PolarHBondContact O-N 3.06Å; Q342-H344 VanDerWaalsContact C-N 3.28Å; Q342-H344 PolarHBondContact O-N 3.38Å; Q342-Q345 PolarHBondContact O-N 3.45Å
343T51.4Low49.5Very low70 Ų70112.3 Ų112.343%0.42966%0.663SS.*Hα-helixtrans-68.8-24.3178.6-26.50000112.8S340 P341S340-T343 WeakPolarHBondContact O-CB 3.49Å; S340-T343 PolarHBondContact O-N 3.43Å; S340-T343 PolarHBondContact O-OG1 3.29Å; P341-T343 PolarHBondContact O-N 3.02Å
344H45.2Very low48.3Very low133 Ų133114 Ų11462%0.61667%0.669SS**Hα-helixtrans-84.9-29.8178-89.6-91.8000113.6P341 Q342 L346 M347P341-H344 PolarHBondContact O-N 3.49Å; P341-H344 VanDerWaalsContact O-N 3.14Å; Q342-H344 VanDerWaalsContact C-N 3.28Å; Q342-H344 PolarHBondContact O-N 3.38Å; H344-L346 VanDerWaalsContact C-N 3.34Å; H344-L346 PolarHBondContact O-N 3.24Å; H344-M347 WeakPolarHBondContact O-CB 3.24Å; H344-M347 PolarHBondContact O-N 3.47Å; H344-M347 VanDerWaalsContact O-N 3.11Å
345Q45.8Very low46.8Very low154 Ų154110.2 Ų110.272%0.7267%0.669SS**Hα-helixtrans-63.7-37.9-177.4-69.9-115.631.700112.5Q342 M347 A348Q342-Q345 PolarHBondContact O-N 3.45Å; Q345-M347 PolarHBondContact O-N 3.09Å; Q345-A348 PolarHBondContact O-N 3.23Å
346L44.7Very low45.4Very low142 Ų142117.2 Ų117.274%0.74371%0.706SS**Hα-helixtrans-70.1-15.5176.3-86165.3000114.3H344H344-L346 VanDerWaalsContact C-N 3.34Å; H344-L346 PolarHBondContact O-N 3.24Å
347M46.7Very low44.5Very low133 Ų133118.6 Ų118.666%0.65572%0.717SS**Hα-helixtrans-85.6-18.8177.4-61.2-78.8-85.100112.2H344 Q345H344-M347 WeakPolarHBondContact O-CB 3.24Å; H344-M347 PolarHBondContact O-N 3.47Å; H344-M347 VanDerWaalsContact O-N 3.11Å; Q345-M347 PolarHBondContact O-N 3.09Å
348A48.8Very low43.7Very low79 Ų79114.7 Ų114.765%0.65371%0.71SS**Hα-helixtrans-84.7-23.2-17600000114Q345 G350Q345-A348 PolarHBondContact O-N 3.23Å; A348-G350 VanDerWaalsContact C-N 3.34Å; A348-G350 PolarHBondContact O-N 3.13Å
349T47.8Very low42.9Very low119 Ų119115.6 Ų115.673%0.7372%0.716SS**THydrogen-bonded Turntrans-90.911.9-174.155.30000114.3
350G35.4Very low42.3Very low73 Ų73118.6 Ų118.675%0.75374%0.735SS**THydrogen-bonded Turntrans-96.8-10.7-172.700000116.6A348A348-G350 VanDerWaalsContact C-N 3.34Å; A348-G350 PolarHBondContact O-N 3.13Å
351A40Very low41.9Very low99 Ų99120.7 Ų120.782%0.81875%0.749SS**  trans-135.3105.1-17500000110.7
352G32.7Very low41.3Very low76 Ų76124.2 Ų124.278%0.78476%0.756SS**  trans-168.726-169.400000116.1Q354G352-Q354 PolarHBondContact O-N 3.29Å
353T38.2Very low40.8Very low142 Ų142121.3 Ų121.387%0.87175%0.753SS**  trans-73.692.8169.448.90000110.2
354Q39.2Very low40Very low196 Ų196128.3 Ų128.392%0.91678%0.778SS**  trans-148148162.9-127.3164.89500111.2G352G352-Q354 PolarHBondContact O-N 3.29Å
355A36.7Very low39.6Very low89 Ų89125.6 Ų125.674%0.73679%0.786SS**  trans-83.5153.6-163.200000113.6A357A355-A357 PolarHBondContact O-N 3.05Å; A355-A357 VanDerWaalsContact O-N 3.1Å
356L35Very low39.2Very low191 Ų191127.5 Ų127.5100%180%0.795SS**  trans-65.4102157.4-79.7156.1000108.9
357A37.8Very low38.9Very low92 Ų92126 Ų12676%0.7679%0.794SS**  trans-130.9144168.200000109.2A355A355-A357 PolarHBondContact O-N 3.05Å; A355-A357 VanDerWaalsContact O-N 3.1Å
358A39.8Very low38.6Very low96 Ų96125.2 Ų125.279%0.79380%0.801SS**  trans-75.7147.9-16800000113.3T360A358-T360 PolarHBondContact O-N 3.43Å; A358-T360 VanDerWaalsContact O-N 3.13Å
359N38Very low38.2Very low168 Ų168126.6 Ų126.690%0.89880%0.801SS**  trans-81.488177.1-149.41000110.1
360T37.8Very low38Very low118 Ų118128.1 Ų128.172%0.72480%0.804SS**  trans-143.895168.5-60.50000111.3A358A358-T360 PolarHBondContact O-N 3.43Å; A358-T360 VanDerWaalsContact O-N 3.13Å
361S37.1Very low38.2Very low100 Ų100131.7 Ų131.770%0.69981%0.806SS**  trans50.3130.8136.2-47.70000122.5
362Q39.9Very low38.2Very low182 Ų182130.1 Ų130.185%0.8580%0.8SS**  trans114.3121145-55-168.317.700119.9
363S38.2Very low38.6Very low96 Ų96137.9 Ų137.967%0.67181%0.805SS**  trans61.1114.3143.163.20000124.1
364F35Very low38.6Very low217 Ų217136.3 Ų136.395%0.95280%0.8SS**  47.1121.6126.3-73.2-85.5000122.1
365G36.9Very low38.5Very low76 Ų76131.4 Ų131.478%0.78479%0.793SS**  trans-171.7141.3159.400000111.5
366H37.2Very low38.5Very low194 Ų194135.3 Ų135.390%0.89880%0.8SS**  trans-94.1153.2-174.9-107.4-107.3000113.6
367P39.3Very low38.4Very low111 Ų111132.4 Ų132.472%0.72179%0.794SS**  trans-94.7155.3-177.436.7-35.5000114.8
368S39.6Very low38.7Very low115 Ų115133.3 Ų133.380%0.80479%0.793SS**  trans-173.4166.1165.9-89.50000112.5
369T40.8Very low38.5Very low108 Ų108133.6 Ų133.666%0.66380%0.795SS**  cis-174.5127-26.7-860000107.8
370L44.2Very low38.5Very low152 Ų152135.2 Ų135.280%0.79680%0.795SS**  trans61.9168.1177.3-58168.2000114.4
371D38.3Very low38.6Very low148 Ų148134.2 Ų134.279%0.79180%0.798SS**  cis-152.8-174.3-12.6-138.9-42.9000109.4
372G40.4Very low38.6Very low66 Ų66132.4 Ų132.468%0.6880%0.796SS**  trans110.984.4142.500000119.7
373R40.8Very low38.5Very low239 Ų239129.7 Ų129.790%0.90279%0.792SS**  trans-10.7134.4150.9-89173.2162.1156.9-5.8120.6
374S38.9Very low38.4Very low109 Ų109131.4 Ų131.476%0.76280%0.798SS**  91.1139.8126.8-66.10000122.8
375A38.1Very low38.5Very low92 Ų92132 Ų13276%0.7680%0.796SS**  trans88.5154.1152.600000120
376L36.6Very low38.6Very low171 Ų171136.6 Ų136.690%0.89580%0.801SS**  trans73.7106.2172.4-51-177.5000117.6
377C31.9Very low38.6Very low130 Ų130132.4 Ų132.488%0.87879%0.794SS**  trans-76.8159.1163.9-46.80000111.1
378P43.6Very low38.5Very low112 Ų112132.7 Ų132.773%0.72780%0.798SS**  trans-120.2146.3138.935.2-28.6000111.6
379A37Very low38.5Very low102 Ų102135.8 Ų135.884%0.84380%0.802SS**  trans-78144.8164.500000109.6
380F37.2Very low38.7Very low202 Ų202140.4 Ų140.489%0.88681%0.813SS**  trans-126.6136.6170.1-119.6-90000110.5
381A39Very low38.3Very low96 Ų96139.9 Ų139.979%0.79381%0.811SS**  trans-105.7143.4173.200000109.9
382G37.6Very low38.2Very low63 Ų63138.1 Ų138.165%0.64981%0.807SS**  trans-171.6100.8169.100000108.6
383T37.5Very low38.1Very low125 Ų125141.1 Ų141.177%0.76782%0.815SS**  56.790.678.169.80000113.7
384T37.7Very low38.2Very low131 Ų131138.7 Ų138.780%0.80481%0.813SS**  trans34.5108.5135.852.50000118.5
385Y35.8Very low38.1Very low231 Ų231142.7 Ų142.791%0.90682%0.82SS**  trans-134.2116.7144.9-108.6-87.8000110.2
386L38.7Very low37.8Very low172 Ų172147.3 Ų147.390%0.90183%0.826SS**  trans-94.9123.4165.3-88.2167000108.2
387S38Very low37.7Very low105 Ų105147.5 Ų147.573%0.73483%0.827SS**  trans-164131.2157.7-88.50000113.4
388S36.3Very low37.5Very low117 Ų117151.7 Ų151.782%0.81882%0.824SS**  trans48.485.4142.5-57.30000119.4
389M40.2Very low37.1Very low181 Ų181154.7 Ų154.789%0.89283%0.833SS**  trans-106.8116.7139.8-69.3-172.3-172.100109.1
390K44.5Very low37Very low204 Ų204156.7 Ų156.789%0.88783%0.83SS**  trans-94.7103.9-176.8-178.281173.6-170.60109.6
391L36.5Very low36.8Very low142 Ų142154.1 Ų154.174%0.74383%0.831SS**PPolyproline II helixtrans-87.7153.4168-90.475.5000111.2
392P36.8Very low36.8Very low111 Ų111153.3 Ų153.372%0.72182%0.824SS**PPolyproline II helixtrans-76.1157.2-174.431.3-36.3000113
393P36.7Very low36.8Very low129 Ų129157.8 Ų157.884%0.83883%0.833SS**PPolyproline II helixtrans-74.7134.5178.131.2-34000111.6
394Q43.1Very low36.8Very low187 Ų187155.3 Ų155.387%0.87483%0.832SS**  trans-114154.7158.8-74.2-152.7-24.100111.2Q396Q394-Q396 PolarHBondContact O-N 3.23Å
395Q37.7Very low36.6Very low194 Ų194160 Ų16091%0.90784%0.837SS**  trans-60.5120.8-159.3-66.3152-23.500113.2L397Q395-L397 PolarHBondContact O-N 3.1Å
396Q31.5Very low36.4Very low188 Ų188154.2 Ų154.288%0.87983%0.83SS**  trans-80.4109.6162.2-78.9-165.6-26.300110.2Q394 R398Q394-Q396 PolarHBondContact O-N 3.23Å; Q396-R398 PolarHBondContact O-N 3.23Å
397L34.1Very low36.3Very low175 Ų175151.9 Ų151.992%0.91682%0.823SS**  trans-75.4113.8156.4-95.2148.9000108.4Q395Q395-L397 PolarHBondContact O-N 3.1Å
398R28.4Very low36.1Very low219 Ų219151 Ų15183%0.82682%0.822SS**  trans-67.6130.6172.1-83.8-177.9169154.3-5.5110.3Q396Q396-R398 PolarHBondContact O-N 3.23Å
399L35.9Very low36.1Very low175 Ų175150.4 Ų150.492%0.91681%0.814SS**  trans-123.8138147.5-86165.4000107.4
400N33.3Very low35.7Very low144 Ų144150.9 Ų150.977%0.7781%0.811SS**  trans-80.8144.9-162.9-63.2-34.8000112.3
401T32.9Very low35.2Very low147 Ų147150.8 Ų150.890%0.90281%0.806SS**  trans-69.5128.1170.1-53.40000110.4
402A39Very low35.5Very low80 Ų80150 Ų15066%0.66181%0.81SS**  trans-141.3123.8159.100000108.9
403D38.1Very low35.2Very low156 Ų156150 Ų15083%0.83481%0.813SS**  trans54.595.3150.1-48.1-30.2000120.3
404G36.7Very low35.3Very low73 Ų73152.9 Ų152.975%0.75382%0.815SS**  73.996.3116.700000119.7
405Y35Very low34.9Very low231 Ų231149.2 Ų149.291%0.90681%0.81SS**  -163141.7100.2-121.7-95.2000110.1
406S30.9Very low35Very low108 Ų108145.4 Ų145.476%0.75580%0.804SS**  trans-109.5119.8-177.6-173.60000111.5
407T36.3Very low35.4Very low123 Ų123145.4 Ų145.476%0.75580%0.802SS**  trans-132.389.1167.3-53.70000108.6V409T407-V409 PolarHBondContact O-N 3.43Å
408A33.9Very low35.6Very low86 Ų86148 Ų14871%0.71180%0.799SS**  trans-76.4104.7178.200000110.7F410A408-F410 PolarHBondContact O-N 2.94Å
409V37Very low35.8Very low106 Ų106145.1 Ų145.164%0.64280%0.799SS**  trans-84.6103.1171.6-178.60000109T407 Y411T407-V409 PolarHBondContact O-N 3.43Å; V409-Y411 HydrophobicContact CG1-CD2 4.13Å; V409-Y411 HydrophobicContact CG1-CE2 3.83Å; V409-Y411 PolarHBondContact O-N 3.37Å
410F32.4Very low36Very low191 Ų191142.4 Ų142.484%0.83880%0.795SS**  trans-70.5123.5174.2-117.6-98000110.4A408A408-F410 PolarHBondContact O-N 2.94Å
411Y34.2Very low36.2Very low201 Ų201147 Ų14779%0.78880%0.802SS**  trans-107.5109.7166.1-85.9-88.2000109.3V409 S413V409-Y411 HydrophobicContact CG1-CD2 4.13Å; V409-Y411 HydrophobicContact CG1-CE2 3.83Å; V409-Y411 PolarHBondContact O-N 3.37Å; Y411-S413 PolarHBondContact O-N 2.72Å
412P41.8Very low36.5Very low125 Ų125145.6 Ų145.681%0.81279%0.793SS**  trans-67.1119.6168.9-16.631000109.6
413S31.2Very low36.8Very low112 Ų112152.5 Ų152.578%0.78380%0.802SS**  trans-127.191.5170.7-166.40000108.9Y411Y411-S413 PolarHBondContact O-N 2.72Å
414E39.2Very low37.4Very low190 Ų190152.9 Ų152.989%0.88880%0.804SS**  trans-119.5129.4165.7-77.5-127.3106.800109.4
415S34.6Very low38.1Very low110 Ų110155.7 Ų155.777%0.76981%0.809SS**  trans-131.4145.7170.9-69.90000108.7
416S38.9Very low38.4Very low113 Ų113152.8 Ų152.879%0.7981%0.808SS**  trans85.7159.5171.2-156.70000117.5
417K40.2Very low39.1Very low189 Ų189157.3 Ų157.382%0.82282%0.817SS**  trans69.396.6-171.4-48.6158.7-166.8162.40111.8
418R37.5Very low39.3Very low229 Ų229154.8 Ų154.886%0.86482%0.816SS**  cis72.8112.734.7-149.4-164.7-155.4-122.54.3113.9
419L33.9Very low39.9Very low158 Ų158156.8 Ų156.883%0.82782%0.819SS**  trans78.397.5154.1-143.981.4000119.6
420S38.9Very low40.1Very low118 Ų118160.7 Ų160.783%0.82583%0.83SS**  trans-162.5122.7132.953.90000111.5
421R36.9Very low40.6Very low241 Ų241155.4 Ų155.491%0.90982%0.822SS**  trans-79.8142.9163.2-69.1168.7165.3160.9-8.6108.8
422T39.2Very low41.1Very low117 Ų117151 Ų15172%0.71883%0.827SS**  -175134.712926.80000113.1
423R45.7Very low41Very low226 Ų226148.1 Ų148.185%0.85382%0.82SS**  trans57.9109.3144-65.2177.6170.8123.8-3.3119.9
424D50.8Low41.4Very low163 Ų163150.7 Ų150.787%0.87282%0.824SS**  -102156129.9-67.8-65.8000109.2
425P52.8Low41.5Very low132 Ų132149.2 Ų149.286%0.85782%0.821SS**  trans-91.7166.5-174.8-6.327.3000115.3
426L40.1Very low41.6Very low170 Ų170153.6 Ų153.689%0.8983%0.827SS**  trans-107.8137.6176-82162.4000112
427E45.7Very low41.9Very low204 Ų204153.9 Ų153.995%0.95383%0.826SS**  trans-160142.8136.2-68.9-156.4134.600106
428G41.3Very low41.8Very low70 Ų70148.2 Ų148.272%0.72282%0.821SS**  cis-165.4-171.9-10.900000106.5
429V45.3Very low42.1Very low128 Ų128146.2 Ų146.278%0.77682%0.821SS**  cis-157.6141.15.6172.70000107.4
430E40.9Very low42.2Very low187 Ų187144.3 Ų144.387%0.87482%0.821SS**  trans57.7158164.6-74.3-170.411400120.6
431A42.8Very low42.3Very low80 Ų80145.3 Ų145.366%0.66182%0.823SS**  cis-160.5155.2-24.600000110.8
432A44.9Very low42.5Very low110 Ų110139.4 Ų139.491%0.90982%0.818SS**  trans43.2130.9161.200000121
433G39.8Very low42.9Very low64 Ų64139.4 Ų139.466%0.6682%0.823SS**  cis153162-6.200000112.8
434L39.3Very low42.6Very low166 Ų166136.8 Ų136.887%0.86983%0.826SS**  trans65.8132.7158.4-51.5-178.3000117.1
435L41.6Very low42.3Very low158 Ų158132.7 Ų132.783%0.82782%0.823SS**  cis-146.5161.89.1-81.8111.1000112.9
436F36.5Very low41.7Very low202 Ų202134.7 Ų134.789%0.88683%0.826SS**  trans-109.9-179.5154.8-89.9-85.7000108.1
437P46.7Very low41.9Very low119 Ų119130.1 Ų130.177%0.77382%0.819SS**  cis-132.6-174.77.941.1-22.1000115.4
438G37.6Very low41.7Very low70 Ų70126.5 Ų126.572%0.72282%0.817SS**  trans-100.6-164.1179.500000116.2
439H42.5Very low41.3Very low187 Ų187128.5 Ų128.587%0.86682%0.819SS**  trans-148.6170.317642.8-141.1000112
440S36.4Very low41.2Very low118 Ų118130 Ų13083%0.82582%0.821SS**  trans-149.9134.4-167.4-47.60000114.5
441T42.5Very low41.3Very low140 Ų140126.6 Ų126.686%0.85982%0.818SS**  trans-169.6139157.631.20000107.1
442S40.1Very low41.1Very low116 Ų116130.8 Ų130.881%0.81183%0.828SS**  cis88.510031.5-170.40000115.1
443S48.5Very low41.4Very low118 Ų118131.2 Ų131.283%0.82582%0.821SS**  trans-162.8155.1146.162.80000111.6
444N38.4Very low41.5Very low171 Ų171132.5 Ų132.591%0.91483%0.826SS**  trans-104.5153.3173-74.8-37000110.2
445G44.1Very low41.6Very low77 Ų77129.7 Ų129.779%0.79483%0.827SS**  trans-157.3128.7170.700000112.1
446N41.7Very low42Very low174 Ų174127.7 Ų127.793%0.9383%0.826SS**  trans-98.4156.3179.2-58.3-46.3000110.8
447G43.4Very low42.3Very low73 Ų73127.5 Ų127.575%0.75383%0.825SS**  trans143.4117.5139.400000119.7
448S41Very low42.3Very low128 Ų128127.5 Ų127.590%0.89582%0.824SS**  trans75.5165.5142.3-144.50000120.3
449C33.9Very low42.6Very low113 Ų113132.8 Ų132.876%0.76483%0.83SS**  trans-148.5136.9-162.552.30000112.8
450I43.1Very low42.4Very low159 Ų159130.4 Ų130.482%0.81583%0.829SS**  trans-148104.8173.4-61.4-176.6000105.7
451S41.9Very low43Very low116 Ų116130.6 Ų130.681%0.81183%0.831SS**  90.7138.981.9-60.60000114.9
452L40.2Very low42.7Very low168 Ų168130.3 Ų130.388%0.8883%0.829SS**  trans-94.3162.9-177.2-71158.5000112.6
453P51.1Low43.1Very low119 Ų119132.9 Ų132.977%0.77383%0.832SS**  -137.6164.4100.736.6-24.3000112.9
454A40.4Very low42.6Very low91 Ų91134.5 Ų134.575%0.75283%0.831SS**  cis105.2133.212.500000116
455A42.3Very low43Very low107 Ų107130.9 Ų130.988%0.88483%0.825SS**  trans68.9155.1-176.100000116
456S49.3Very low43Very low116 Ų116131 Ų13181%0.81183%0.826SS**  cis-144.2164.4858.50000115
457K42.6Very low43Very low198 Ų198131 Ų13186%0.86183%0.825SS**  trans-112.5177.7159.6-97.6-175.3-177.8-175.30107.1
458P47.8Very low42.8Very low118 Ų118134 Ų13477%0.76683%0.833SS**  cis-119.8-143.327.523.24.4000111.8
459E44.6Very low43Very low181 Ų181137.5 Ų137.585%0.84683%0.832SS**  cis-142.3-159.913.4-70.3-171.8110.400112.5
460T37.4Very low43.7Very low137 Ų137142.5 Ų142.584%0.8486%0.859SS**  trans-142.2145.4-176.150.40000111.8
461S48.1Very low43.8Very low123 Ų123141.7 Ų141.786%0.8686%0.861SS**  trans-141.2131.2162.255.10000112.1
462T37.8Very low43.9Very low133 Ų133143.1 Ų143.182%0.81686%0.863SS**  trans-95.8133.7179.8-57.80000110.2
463I47.6Very low44.1Very low171 Ų171141.7 Ų141.788%0.87786%0.862SS**  trans-134.2143.6155.9-56.5-177.5000107.7
464D38Very low43.6Very low152 Ų152143 Ų14381%0.81387%0.868SS**  trans-113-179.9-166.7-166.68.2000111.9
465A47.3Very low43.8Very low95 Ų95146.3 Ų146.379%0.78588%0.875SS**  trans75132.7171.200000117.9
466G43.9Very low43.9Very low78 Ų78148.9 Ų148.980%0.80487%0.874SS**  trans16152.1175.200000116.4C468G466-C468 PolarHBondContact O-N 2.94Å
467L42Very low43.6Very low176 Ų176151.2 Ų151.292%0.92188%0.879SS**  trans-66.1128.9169.7-102.272.6000111
468C39.2Very low43.6Very low136 Ų136147.6 Ų147.692%0.91988%0.88SS**  trans-161.6150.9135.5-122.10000112.8G466G466-C468 PolarHBondContact O-N 2.94Å
469K43.9Very low43.3Very low201 Ų201150.1 Ų150.187%0.87489%0.89SS**  trans-85.3144.9-174.9-70.4170.4172.9172.40112.9
470V49.7Very low43.2Very low218 Ų218147.3 Ų147.3100%1.32189%0.894SS**  -133.40126.3-179.40000107.4

Retrieved 470 of 470 residues in 314.5 ms (Link to these results)