A0A087X1K6_HUMAN Loading...

KLF transcription factor 13

AlphaFold DB , UniProt , Accession A0A087X1K6, Species HUMAN (Homo sapiens, Human), Gene KLF13, Length 286 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
1M36.4Very low41.6Very low249 Ų249131.6 Ų131.6100%1.22777%0.773SS**  0137.50-58.4172.8-17700106.6
2A35.6Very low41.6Very low90 Ų90129.3 Ų129.374%0.74478%0.78SS**  cis-143.5158-10.500000107.3
3A40.7Very low41.5Very low96 Ų96131.9 Ų131.979%0.79378%0.779SS**  44.213791.500000115.3
4A46.1Very low41Very low96 Ų96132.1 Ų132.179%0.79379%0.788SS**  cis-170.1-155.7-10.300000108.7
5A48Very low41.2Very low100 Ų100132.4 Ų132.483%0.82678%0.783SS**  trans73.3151.116400000118
6Y43.2Very low41.1Very low206 Ų206132.1 Ų132.181%0.80878%0.783SS**  cis-157.6169.5-24.8-174.2-103.8000109.4
7V47.8Very low40.6Very low95 Ų95130.8 Ų130.858%0.57678%0.782SS**  trans-62.4173.4173.4-130.60000110.4
8D45.6Very low40.6Very low124 Ų124131.9 Ų131.966%0.66378%0.779SS**  cis-173.2-170.227.6-137.6-22000108
9H43.6Very low40.4Very low132 Ų132130.4 Ų130.461%0.61178%0.777SS**  cis-163160.5-1.4-163.3-149000109.1
10F34Very low40.4Very low177 Ų177130 Ų13078%0.77678%0.781SS**  trans62.1164.3158.7-91.3-147.6000119.3
11A36.8Very low40.6Very low83 Ų83135.2 Ų135.269%0.68679%0.786SS**  cis-168.1156.5-30.300000110.2
12A41.9Very low40.6Very low104 Ų104128.3 Ų128.386%0.8677%0.769SS**  trans-160.8138.815900000110.6
13E40.2Very low40.9Very low163 Ų163129.5 Ų129.576%0.76277%0.767SS**  trans-101.1161.6-179.7-59.1-179.4107.500112.4
14C34.1Very low40.7Very low135 Ų135130.5 Ų130.591%0.91276%0.763SS**  trans-145.7132.6146-94.50000109.2
15L44.4Very low40.3Very low136 Ų136134.3 Ų134.371%0.71276%0.764SS**  trans-114.6178.7-169.8-74.2166.7000112.1
16V39.9Very low39.8Very low128 Ų128132.7 Ų132.778%0.77676%0.757SS**  trans76.9107.8161-165.30000117.4
17S32.4Very low39.9Very low109 Ų109129.2 Ų129.276%0.76276%0.76SS**  17295.2106.8-159.10000108.9
18M40.3Very low39.6Very low151 Ų151135.6 Ų135.674%0.74477%0.774SS**  74.6111.586.9-72.2-92.675.900115.8
19S36Very low39.2Very low104 Ų104138.8 Ų138.873%0.72778%0.784SS**  trans68.8153.7150.9-58.20000118.2
20S41.8Very low38.9Very low122 Ų122135.4 Ų135.485%0.85379%0.785SS**  cis-129.7154.113.6-66.50000114
21R43.8Very low40Very low239 Ų239133.3 Ų133.390%0.90279%0.789SS**  trans-88.3149.3165.2-74.1174.2169.6159-5.2110.7V23R21-V23 HydrophobicContact CB-CG2 4.39Å
22A36.8Very low39.8Very low104 Ų104138.4 Ų138.486%0.8680%0.799SS**  trans-139.2137.9148.900000107.7
23V42.3Very low39.5Very low115 Ų115138.2 Ų138.270%0.69779%0.791SS**  trans-149.4150.9-166.2-1750000108.9R21R21-V23 HydrophobicContact CB-CG2 4.39Å
24V36.9Very low39.6Very low117 Ų117139.8 Ų139.871%0.70979%0.79SS**  trans59.2154-176.8-111.40000113.7
25H36.6Very low40.2Very low176 Ų176139.2 Ų139.282%0.81579%0.785SS**  cis-129.5164.93.5-66.2-99.1000112
26G36.8Very low39.9Very low67 Ų67140 Ų14069%0.69179%0.785SS**  trans-118170.5151.500000110.1
27P45.4Very low39.6Very low133 Ų133137.8 Ų137.886%0.86479%0.788SS**  trans-125.6172.4147.535.4-24.6000112.5
28R41.5Very low39.6Very low229 Ų229137.3 Ų137.386%0.86479%0.791SS**  trans-109129.9175.4-64159.166-179.93108.6
29E37.5Very low39.4Very low191 Ų191134.6 Ų134.689%0.89379%0.792SS**  trans-143.3158.4152.7-59.8-57.7163.700104.8
30G37.3Very low39.9Very low61 Ų61137.1 Ų137.163%0.62980%0.803SS**  cis157.5120.37.300000105.5
31P57Low39.6Very low132 Ų132135.9 Ų135.986%0.85780%0.8SS**  trans-102.2108.7-161.435.5-32.3000115.1
32E33.8Very low39.2Very low191 Ų191129.2 Ų129.289%0.89380%0.796SS**  trans-159.2161.2168.9-99.1-172.8105.100109.2
33S33.9Very low39.4Very low99 Ų99130.1 Ų130.169%0.69279%0.791SS**  cis-154.7174-10.854.20000110
34R42.6Very low39.3Very low196 Ų196129.9 Ų129.974%0.7479%0.792SS**  trans-99.1129.9177.6159.4-176.5169.3157.7-6.3110.6E36R34-E36 HydrophobicContact CG-CG 4.43Å; R34-E36 IonicContact CZ-OE1 3.71Å; R34-E36 IonicContact NE-OE1 3.4Å; R34-E36 PolarHBondContact NE-OE1 3.11Å; R34-E36 IonicContact NH2-OE1 3.71Å; R34-E36 PolarHBondContact NH2-OE1 3.22Å
35P47.7Very low39.4Very low124 Ų124130.7 Ų130.781%0.80580%0.797SS**  trans-93155152.634.3-29.8000111.2
36E37.1Very low39.6Very low152 Ų152129.5 Ų129.571%0.7180%0.796SS**  trans-110.5158.6-178.7-54.5-15697.400113.1R34R34-E36 HydrophobicContact CG-CG 4.43Å; R34-E36 IonicContact CZ-OE1 3.71Å; R34-E36 IonicContact NE-OE1 3.4Å; R34-E36 PolarHBondContact NE-OE1 3.11Å; R34-E36 IonicContact NH2-OE1 3.71Å; R34-E36 PolarHBondContact NH2-OE1 3.22Å
37G34.4Very low39.4Very low81 Ų81131.5 Ų131.584%0.83580%0.797SS**  trans82.9112.3143.900000118.4
38A32.8Very low39Very low100 Ų100135.3 Ų135.383%0.82679%0.794SS**  trans-158.3151.8143.100000111.5
39A36.3Very low38.6Very low94 Ų94130.5 Ų130.578%0.77779%0.79SS**  trans51.992.8158.400000118.6A41A39-A41 PolarHBondContact O-N 3.39Å
40V45Very low38.6Very low157 Ų157128.2 Ų128.295%0.95278%0.779SS**  trans-55.4127.2145.5-79.90000110
41A36.2Very low38.5Very low96 Ų96133.4 Ų133.479%0.79379%0.787SS**  trans-115.3126.917200000109.2A39A39-A41 PolarHBondContact O-N 3.39Å
42A35.7Very low37.5Very low99 Ų99137.9 Ų137.982%0.81879%0.787SS**  trans-66.4141.8-172.100000112.5P44A42-P44 WeakPolarHBondContact O-CD 3.49Å
43T39.7Very low38.1Very low122 Ų122139.8 Ų139.875%0.74879%0.786SS**  trans-62.9122.1171.642.80000110.8T45T43-T45 PolarHBondContact O-N 3.49Å
44P41.6Very low38.3Very low111 Ų111142 Ų14272%0.72179%0.79SS**  trans-73.1100.9171.229.2-32.5000109.5A42 L46A42-P44 WeakPolarHBondContact O-CD 3.49Å; P44-L46 PolarHBondContact O-N 2.98Å
45T39.2Very low38.4Very low133 Ų133136 Ų13682%0.81679%0.789SS**  trans-62.8100.9174.2-54.10000109.8T43T43-T45 PolarHBondContact O-N 3.49Å
46L39.4Very low38.2Very low152 Ų152139.4 Ų139.480%0.79679%0.791SS**  trans-64.9140.8176.6-68.9175.7000110.6P44 R48P44-L46 PolarHBondContact O-N 2.98Å; L46-R48 PolarHBondContact O-N 3.2Å
47P33.6Very low38.6Very low109 Ų109137.8 Ų137.871%0.70879%0.788SS**  trans-64.4134.1-179.426.2-34.1000111.1V49P47-V49 VanDerWaalsContact C-N 3.33Å; P47-V49 PolarHBondContact O-N 3.38Å
48R37.1Very low39.3Very low212 Ų212138.5 Ų138.580%0.878%0.78SS**  trans-68.885.9176.4179.2-177163.3136.8-6.9110.3L46 E50L46-R48 PolarHBondContact O-N 3.2Å; R48-E50 HydrophobicContact CG-CG 4.39Å; R48-E50 IonicContact CZ-OE1 3.16Å; R48-E50 IonicContact NE-OE1 3.4Å; R48-E50 PolarHBondContact NE-OE1 3.32Å; R48-E50 VanDerWaalsContact NE-OE1 3.16Å; R48-E50 IonicContact NH2-OE1 2.64Å; R48-E50 PolarHBondContact NH2-OE1 3.5Å; R48-E50 PolarHBondContact O-N 3.42Å
49V33.4Very low40.2Very low129 Ų129137 Ų13778%0.78277%0.767SS**  trans-67.6116.8162.4-79.80000108.9P47 E51P47-V49 VanDerWaalsContact C-N 3.33Å; P47-V49 PolarHBondContact O-N 3.38Å; V49-E51 PolarHBondContact O-N 3.17Å
50E37.6Very low40.9Very low142 Ų142134.3 Ų134.366%0.66474%0.743SS**  trans-79.1105177.6-59.9-151.8118.200110R48 R52R48-E50 HydrophobicContact CG-CG 4.39Å; R48-E50 IonicContact CZ-OE1 3.16Å; R48-E50 IonicContact NE-OE1 3.4Å; R48-E50 PolarHBondContact NE-OE1 3.32Å; R48-E50 VanDerWaalsContact NE-OE1 3.16Å; R48-E50 IonicContact NH2-OE1 2.64Å; R48-E50 PolarHBondContact NH2-OE1 3.5Å; R48-E50 PolarHBondContact O-N 3.42Å; E50-R52 PolarHBondContact O-N 3.01Å
51E34.4Very low41.3Very low171 Ų171132.5 Ų132.580%0.79973%0.727SS**  trans-59.2106.2168.2-83.1-171.483.800110V49 R53V49-E51 PolarHBondContact O-N 3.17Å; E51-R53 PolarHBondContact O-N 3.31Å
52R36Very low42.3Very low226 Ų226133.9 Ų133.985%0.85372%0.715SS**  trans-62.9105.1161.1-74.1-174.1174.9-89.6-4.2108.1E50 D54E50-R52 PolarHBondContact O-N 3.01Å; R52-D54 PolarHBondContact O-N 2.99Å
53R46.2Very low43.4Very low230 Ų230131.5 Ų131.587%0.86869%0.691SS**  trans-77.267.7178.5-70.8-178.8174.7169.5-0.9111.4E51E51-R53 PolarHBondContact O-N 3.31Å
54D37.4Very low44.2Very low147 Ų147126.5 Ų126.579%0.78666%0.66SS**  trans-66.9138162.1-71.4-67.6000109.6R52R52-D54 PolarHBondContact O-N 2.99Å
55G45.3Very low45.2Very low70 Ų70123.7 Ų123.772%0.72265%0.646SS**  trans-91.3157.2-148.500000117.4
56K42.8Very low46.2Very low194 Ų194124.7 Ų124.784%0.84364%0.635SS**SBendtrans72.5160.2173.3-104114.2176.9-177.70116.8S58K56-S58 PolarHBondContact O-N 3.44Å
57D46.4Very low47.2Very low119 Ų119117.9 Ų117.964%0.63660%0.599SS**  trans70.7-13.8175-64.15.6000120.7A59 S60 L61D57-A59 VanDerWaalsContact C-N 3.33Å; D57-A59 PolarHBondContact O-N 3.36Å; D57-S60 PolarHBondContact O-N 3.2Å; D57-L61 PolarHBondContact O-N 3.26Å; D57-L61 VanDerWaalsContact O-N 3.08Å
58S49.6Very low48.4Very low96 Ų96116.9 Ų116.967%0.67159%0.587SS**Hα-helixtrans-53.1-41.4-179.859.60000114.8K56 S60 L61 F62K56-S58 PolarHBondContact O-N 3.44Å; S58-S60 PolarHBondContact O-N 3.28Å; S58-L61 PolarHBondContact O-N 2.81Å; S58-F62 WeakPolarHBondContact O-CB 3.47Å; S58-F62 PolarHBondContact O-N 3.07Å
59A50.8Low49.6Very low68 Ų68109.2 Ų109.256%0.56257%0.569SS**Hα-helixtrans-66-37.3178.200000113.4D57 F62 V63D57-A59 VanDerWaalsContact C-N 3.33Å; D57-A59 PolarHBondContact O-N 3.36Å; A59-F62 PolarHBondContact O-N 3.47Å; A59-V63 PolarHBondContact O-N 3Å; A59-V63 VanDerWaalsContact O-N 3.14Å
60S51.4Low50.6Low37 Ų37106.1 Ų106.126%0.25955%0.549SS..Hα-helixtrans-68.7-43.3177.5-173.30000110.7D57 S58 F62 V63 V64 A248D57-S60 PolarHBondContact O-N 3.2Å; S58-S60 PolarHBondContact O-N 3.28Å; S60-F62 VanDerWaalsContact C-N 3.34Å; S60-F62 PolarHBondContact O-N 3.14Å; S60-V63 PolarHBondContact O-N 3.29Å; S60-V64 WeakPolarHBondContact O-CB 3.22Å; S60-V64 WeakPolarHBondContact O-CG2 3.46Å; S60-V64 PolarHBondContact O-N 3.26Å; S60-A248 WeakPolarHBondContact OG-CB 3.49Å
61L53.1Low51.5Low119 Ų119100.4 Ų100.462%0.62352%0.523SS*.Hα-helixtrans-61.8-39.7173.3-67.4176.2000112.1D57 S58 V64 A65D57-L61 PolarHBondContact O-N 3.26Å; D57-L61 VanDerWaalsContact O-N 3.08Å; S58-L61 PolarHBondContact O-N 2.81Å; L61-V64 PolarHBondContact O-N 3.49Å; L61-A65 WeakPolarHBondContact O-CB 3.4Å; L61-A65 PolarHBondContact O-N 3.28Å
62F56.6Low52.4Low125 Ų12598.5 Ų98.555%0.54852%0.518SS..Hα-helixtrans-65.1-45.9178.7-167.6-101.6000112.7S58 A59 S60 A65 R66S58-F62 WeakPolarHBondContact O-CB 3.47Å; S58-F62 PolarHBondContact O-N 3.07Å; A59-F62 PolarHBondContact O-N 3.47Å; S60-F62 VanDerWaalsContact C-N 3.34Å; S60-F62 PolarHBondContact O-N 3.14Å; F62-A65 PolarHBondContact O-N 2.97Å; F62-R66 HydrophobicContact CD1-CG 4.48Å; F62-R66 HydrophobicContact CE1-CG 4.26Å; F62-R66 WeakPolarHBondContact O-CG 3.5Å; F62-R66 PolarHBondContact O-N 2.86Å
63V58.9Low53.3Low49 Ų4994.5 Ų94.530%0.29751%0.509SS..Hα-helixtrans-63.7-42.6176.2173.50000111.1A59 S60 R66 I67 I229A59-V63 PolarHBondContact O-N 3Å; A59-V63 VanDerWaalsContact O-N 3.14Å; S60-V63 PolarHBondContact O-N 3.29Å; V63-R66 PolarHBondContact O-N 3.49Å; V63-I67 HydrophobicContact CG1-CD1 3.92Å; V63-I67 WeakPolarHBondContact O-CG1 3.43Å; V63-I67 PolarHBondContact O-N 3.04Å; V63-I229 HydrophobicContact CG1-CD1 4.31Å
64V57.5Low53.6Low18 Ų1887.5 Ų87.511%0.10949%0.486CS..Hα-helixtrans-65.3-39175.5172.30000111.4S60 L61 I67 L68 T241 R245S60-V64 WeakPolarHBondContact O-CB 3.22Å; S60-V64 WeakPolarHBondContact O-CG2 3.46Å; S60-V64 PolarHBondContact O-N 3.26Å; L61-V64 PolarHBondContact O-N 3.49Å; V64-I67 PolarHBondContact O-N 2.86Å; V64-L68 HydrophobicContact CG1-CD1 3.83Å; V64-L68 HydrophobicContact CG1-CG 4.29Å; V64-L68 WeakPolarHBondContact O-CB 3.46Å; V64-L68 VanDerWaalsContact O-CG 3.24Å; V64-L68 WeakPolarHBondContact O-CG 3.42Å; V64-L68 PolarHBondContact O-N 3.38Å; V64-T241 HydrophobicContact CG1-CG2 4.45Å; V64-R245 HydrophobicContact CG2-CG 4.09Å
65A62.3Low54Low52 Ų5284 Ų8443%0.4348%0.477SS..Hα-helixtrans-64.6-43.8177.500000112.2L61 F62 L68 A69L61-A65 WeakPolarHBondContact O-CB 3.4Å; L61-A65 PolarHBondContact O-N 3.28Å; F62-A65 PolarHBondContact O-N 2.97Å; A65-L68 PolarHBondContact O-N 2.79Å; A65-A69 WeakPolarHBondContact O-CB 3.43Å; A65-A69 PolarHBondContact O-N 3.46Å
66R61.1Low53.8Low153 Ų15386.3 Ų86.358%0.57748%0.479SS*.Hα-helixtrans-62.7-45.7174.3-64.7-155.775.8127.15.6111.6F62 V63 L68 A69 D70F62-R66 HydrophobicContact CD1-CG 4.48Å; F62-R66 HydrophobicContact CE1-CG 4.26Å; F62-R66 WeakPolarHBondContact O-CG 3.5Å; F62-R66 PolarHBondContact O-N 2.86Å; V63-R66 PolarHBondContact O-N 3.49Å; R66-L68 VanDerWaalsContact C-N 3.28Å; R66-L68 PolarHBondContact O-N 3.03Å; R66-A69 WeakPolarHBondContact O-CB 3.5Å; R66-A69 PolarHBondContact O-N 3.04Å; R66-D70 PolarHBondContact O-N 3.45Å
67I59.2Low53.7Low10 Ų1081 Ų815%0.05147%0.472CS..Hα-helixtrans-62.7-34.4177.1-69171.6000111.9V63 V64 L71 P228 L240 A244V63-I67 HydrophobicContact CG1-CD1 3.92Å; V63-I67 WeakPolarHBondContact O-CG1 3.43Å; V63-I67 PolarHBondContact O-N 3.04Å; V64-I67 PolarHBondContact O-N 2.86Å; I67-L71 HydrophobicContact CG2-CD1 4.2Å; I67-L71 VanDerWaalsContact O-CB 3.26Å; I67-L71 WeakPolarHBondContact O-CB 3.32Å; I67-L71 WeakPolarHBondContact O-CD1 3.2Å; I67-L71 WeakPolarHBondContact O-CG 3.48Å; I67-L71 PolarHBondContact O-N 3.47Å; I67-P228 HydrophobicContact CD1-CG 4.05Å; I67-P228 HydrophobicContact CG1-CG 3.97Å; I67-L240 HydrophobicContact CG2-CD2 4.37Å; I67-L240 HydrophobicContact CG2-CG 4.39Å; I67-A244 HydrophobicContact CD1-CB 3.62Å; I67-A244 HydrophobicContact CG2-CB 4.44Å
68L60Low53.2Low87 Ų8781.4 Ų81.446%0.45548%0.481SS..Hα-helixtrans-70.6-35.1172.6-72171000112.7V64 A65 R66 L71 N72 T241V64-L68 HydrophobicContact CG1-CD1 3.83Å; V64-L68 HydrophobicContact CG1-CG 4.29Å; V64-L68 WeakPolarHBondContact O-CB 3.46Å; V64-L68 VanDerWaalsContact O-CG 3.24Å; V64-L68 WeakPolarHBondContact O-CG 3.42Å; V64-L68 PolarHBondContact O-N 3.38Å; A65-L68 PolarHBondContact O-N 2.79Å; R66-L68 VanDerWaalsContact C-N 3.28Å; R66-L68 PolarHBondContact O-N 3.03Å; L68-L71 HydrophobicContact CD2-CD1 4.32Å; L68-N72 PolarHBondContact O-N 2.81Å; L68-N72 VanDerWaalsContact O-N 3.07Å; L68-T241 HydrophobicContact CD2-CG2 4.43Å
69A62Low52.6Low51 Ų5181.2 Ų81.242%0.42149%0.485SS..Hα-helixtrans-69.7-38.9174.600000112.4A65 R66 N72 Q73A65-A69 WeakPolarHBondContact O-CB 3.43Å; A65-A69 PolarHBondContact O-N 3.46Å; R66-A69 WeakPolarHBondContact O-CB 3.5Å; R66-A69 PolarHBondContact O-N 3.04Å; A69-N72 WeakPolarHBondContact O-CB 3.38Å; A69-N72 PolarHBondContact O-N 3.17Å; A69-Q73 WeakPolarHBondContact O-CG 3.44Å; A69-Q73 PolarHBondContact O-N 2.85Å; A69-Q73 PolarHBondContact O-NE2 3.21Å
70D54.7Low51.9Low65 Ų6582.8 Ų82.835%0.34849%0.49SS..Hα-helixtrans-70.3-37.1174.2-65.2-38.2000111.5R66 N72 Q73 Q74R66-D70 PolarHBondContact O-N 3.45Å; D70-N72 VanDerWaalsContact C-N 3.26Å; D70-N72 PolarHBondContact O-N 3.21Å; D70-Q73 PolarHBondContact O-N 2.8Å; D70-Q73 PolarHBondContact OD1-NE2 3.44Å; D70-Q74 VanDerWaalsContact O-CG 3.32Å; D70-Q74 WeakPolarHBondContact O-CG 3.43Å; D70-Q74 PolarHBondContact O-N 2.86Å; D70-Q74 VanDerWaalsContact O-N 3.15Å
71L55.3Low51.6Low22 Ų2286.1 Ų86.112%0.11552%0.519CS..Hα-helixtrans-61.1-32.5170.4-83.6171.3000113.1I67 L68 Q74 F225 L240I67-L71 HydrophobicContact CG2-CD1 4.2Å; I67-L71 VanDerWaalsContact O-CB 3.26Å; I67-L71 WeakPolarHBondContact O-CB 3.32Å; I67-L71 WeakPolarHBondContact O-CD1 3.2Å; I67-L71 WeakPolarHBondContact O-CG 3.48Å; I67-L71 PolarHBondContact O-N 3.47Å; L68-L71 HydrophobicContact CD2-CD1 4.32Å; L71-Q74 PolarHBondContact O-N 2.87Å; L71-F225 HydrophobicContact CD2-CB 4.35Å; L71-F225 HydrophobicContact CD2-CD1 3.29Å; L71-F225 HydrophobicContact CD2-CE1 3.79Å; L71-F225 HydrophobicContact CD2-CG 4.05Å; L71-L240 HydrophobicContact CD1-CD2 4.42Å; L71-L240 HydrophobicContact CD2-CD2 4.06Å; L71-L240 HydrophobicContact CG-CD2 4.34Å
72N54.5Low50.7Low131 Ų13188.3 Ų88.370%0.70153%0.526SS*.Hα-helixtrans-72-32.6176-166.760000112.1L68 A69 D70 Q74L68-N72 PolarHBondContact O-N 2.81Å; L68-N72 VanDerWaalsContact O-N 3.07Å; A69-N72 WeakPolarHBondContact O-CB 3.38Å; A69-N72 PolarHBondContact O-N 3.17Å; D70-N72 VanDerWaalsContact C-N 3.26Å; D70-N72 PolarHBondContact O-N 3.21Å; N72-Q74 VanDerWaalsContact C-N 3.3Å
73Q55Low50Low141 Ų14192.3 Ų92.366%0.65954%0.538SS*.Hα-helixtrans-76-16.1174.4-67.2166.38300113.2A69 D70 A75A69-Q73 WeakPolarHBondContact O-CG 3.44Å; A69-Q73 PolarHBondContact O-N 2.85Å; A69-Q73 PolarHBondContact O-NE2 3.21Å; D70-Q73 PolarHBondContact O-N 2.8Å; D70-Q73 PolarHBondContact OD1-NE2 3.44Å; Q73-A75 VanDerWaalsContact C-N 3.26Å; Q73-A75 PolarHBondContact O-N 3.23Å
74Q52Low48.9Very low84 Ų84101.5 Ų101.539%0.39357%0.567SS.*THydrogen-bonded Turntrans-85.811.9177-70.5166.725.400113.8D70 L71 N72 P76D70-Q74 VanDerWaalsContact O-CG 3.32Å; D70-Q74 WeakPolarHBondContact O-CG 3.43Å; D70-Q74 PolarHBondContact O-N 2.86Å; D70-Q74 VanDerWaalsContact O-N 3.15Å; L71-Q74 PolarHBondContact O-N 2.87Å; N72-Q74 VanDerWaalsContact C-N 3.3Å; Q74-P76 WeakPolarHBondContact O-CD 3.46Å
75A44.7Very low48Very low72 Ų72108 Ų10860%0.59560%0.596SS**SBendtrans-72.2116.6166.500000109.5Q73 A77Q73-A75 VanDerWaalsContact C-N 3.26Å; Q73-A75 PolarHBondContact O-N 3.23Å; A75-A77 PolarHBondContact O-N 3.21Å
76P41.1Very low46.8Very low119 Ų119109.5 Ų109.577%0.77362%0.618SS**PPolyproline II helixtrans-67.4129.317927.9-33.6000110Q74Q74-P76 WeakPolarHBondContact O-CD 3.46Å
77A41.1Very low45.5Very low83 Ų83107.1 Ų107.169%0.68663%0.631SS**PPolyproline II helixtrans-58.3148.4167.400000110.2A75 A79A75-A77 PolarHBondContact O-N 3.21Å; A77-A79 PolarHBondContact O-N 3.12Å
78P35.8Very low44.4Very low127 Ų127111.6 Ų111.683%0.82567%0.669SS**PPolyproline II helixtrans-60122.9169.626.8-33.3000108.7
79A37.6Very low43.2Very low92 Ų92112.4 Ų112.476%0.7669%0.688SS**PPolyproline II helixtrans-64.9133.6-173.900000111.1A77A77-A79 PolarHBondContact O-N 3.12Å
80P36.4Very low42.3Very low101 Ų101122 Ų12266%0.65671%0.713SS**PPolyproline II helixtrans-66.6148.2173.528.8-34.2000110.9E82P80-E82 VanDerWaalsContact C-N 3.31Å; P80-E82 HydrophobicContact CG-CG 4.44Å; P80-E82 PolarHBondContact O-N 3.22Å
81A44.1Very low41.7Very low107 Ų107128.7 Ų128.788%0.88474%0.739SS**  trans-81.674.7-179.900000111.3R83A81-R83 PolarHBondContact O-N 2.99Å
82E35.4Very low41.3Very low165 Ų165132.8 Ų132.877%0.77178%0.777SS**  trans-64.1109179.8-71.9-84.385.500112P80 R84P80-E82 VanDerWaalsContact C-N 3.31Å; P80-E82 HydrophobicContact CG-CG 4.44Å; P80-E82 PolarHBondContact O-N 3.22Å; E82-R84 PolarHBondContact O-N 3.26Å
83R41Very low41.1Very low209 Ų209137.8 Ų137.879%0.78979%0.786SS**  trans-70.6119.6171.2174.3-170.9-102.6-116.84.3109.2A81 E85A81-R83 PolarHBondContact O-N 2.99Å; R83-E85 HydrophobicContact CG-CG 4.49Å; R83-E85 IonicContact CZ-OE1 3.62Å; R83-E85 IonicContact NH1-OE1 2.71Å; R83-E85 PolarHBondContact NH1-OE1 2.86Å
84R36.7Very low40.7Very low242 Ų242137.4 Ų137.491%0.91379%0.793SS**  trans-82.2119.1176-76-176.5169.3-173.2-4.4112.2E82E82-R84 PolarHBondContact O-N 3.26Å
85E38.2Very low40.3Very low154 Ų154139 Ų13972%0.7281%0.811SS**  trans-129.6152161.2-65.5-178.4-172.400108.5R83R83-E85 HydrophobicContact CG-CG 4.49Å; R83-E85 IonicContact CZ-OE1 3.62Å; R83-E85 IonicContact NH1-OE1 2.71Å; R83-E85 PolarHBondContact NH1-OE1 2.86Å
86G36.3Very low39.9Very low85 Ų85141.3 Ų141.388%0.87682%0.821SS**  trans125.8125-17300000112.7
87A34.6Very low40Very low103 Ų103147.4 Ų147.485%0.85183%0.829SS**  trans-125.7176.4-167.300000113.6
88A35.2Very low40Very low103 Ų103150.9 Ų150.985%0.85184%0.835SS**  trans68.3100.6163.800000119.4
89A36.3Very low40.4Very low105 Ų105150 Ų15087%0.86883%0.829SS**  -159.7124.1122.500000110.1
90R43.5Very low40.7Very low251 Ų251151 Ų15195%0.94783%0.828SS**  trans-92.1120.1179.9-80.7177.7161.9-1312.4111.8
91K41.1Very low41Very low206 Ų206151.6 Ų151.690%0.89683%0.832SS**  trans-138.8128.8143.3-73.7-162.7176.3-175.60109.1R93K91-R93 PolarHBondContact O-N 3.42Å
92A47.7Very low41.2Very low109 Ų109152 Ų15290%0.90183%0.825SS**  trans-73.4121.7-177.300000110.7
93R49.2Very low41.6Very low236 Ų236149.2 Ų149.289%0.89182%0.824SS**  trans-122143.8156.1-77-171.8174.7-130.5-0.6107.8K91K91-R93 PolarHBondContact O-N 3.42Å
94T46.3Very low41.8Very low133 Ų133144.6 Ų144.682%0.81682%0.821SS**  trans-52.8128.5174.8-13.80000109.4C96T94-C96 PolarHBondContact O-N 3.35Å
95P44.1Very low42.2Very low118 Ų118138.3 Ų138.377%0.76681%0.812SS**  trans-72.3103.4-177.128-33.5000109.6R97P95-R97 PolarHBondContact O-N 3.19Å; P95-R97 VanDerWaalsContact O-N 3.07Å
96C36.7Very low42.4Very low119 Ų119136 Ų13680%0.80481%0.81SS**  trans-54117161.1-64.20000107.6T94 L98T94-C96 PolarHBondContact O-N 3.35Å; C96-L98 VanDerWaalsContact C-N 3.33Å; C96-L98 PolarHBondContact O-N 2.86Å
97R43Very low42.7Very low248 Ų248137.8 Ų137.894%0.93681%0.806SS**  trans-60.998.5171.1-89.8-179.8164.4-111.73.6108.1P95P95-R97 PolarHBondContact O-N 3.19Å; P95-R97 VanDerWaalsContact O-N 3.07Å
98L41Very low43Very low156 Ų156137.1 Ų137.182%0.81780%0.801SS**PPolyproline II helixtrans-53.8133.3165.9-77.4159000107.8C96C96-L98 VanDerWaalsContact C-N 3.33Å; C96-L98 PolarHBondContact O-N 2.86Å
99P43.2Very low43.3Very low107 Ų107138 Ų13870%0.69580%0.798SS**PPolyproline II helixtrans-58.5143.8169.426.8-33.5000108.6
100P44.7Very low43.6Very low114 Ų114142.6 Ų142.674%0.7480%0.798SS**PPolyproline II helixtrans-58.7145.4179.225.9-34.3000110.1
101P42.1Very low43.3Very low114 Ų114135.4 Ų135.474%0.7479%0.793SS**PPolyproline II helixtrans-58.3142.4174.526.5-34.3000109.6S103P101-S103 PolarHBondContact O-N 2.92Å
102P48.7Very low43.3Very low115 Ų115136.8 Ų136.875%0.74779%0.792SS**PPolyproline II helixtrans-59133.5-179.525-34000109.9
103S44.4Very low43Very low107 Ų107143.2 Ų143.275%0.74879%0.793SS**PPolyproline II helixtrans-53.8143.1-177.1-25.50000111P101P101-S103 PolarHBondContact O-N 2.92Å
104P46Very low42.5Very low112 Ų112135.9 Ų135.973%0.72778%0.783SS**PPolyproline II helixtrans-56.5144.3171.325.9-34.1000109.6
105P44.2Very low42.3Very low110 Ų110134.8 Ų134.871%0.71478%0.778SS**PPolyproline II helixtrans-57.6138.4-178.724.9-34.2000109.7
106P42.6Very low41.9Very low104 Ų104135 Ų13568%0.67578%0.78SS**PPolyproline II helixtrans-57.7142.2-176.923.8-33.8000110.2A108P106-A108 PolarHBondContact O-N 3.33Å
107P42.2Very low42.2Very low123 Ų123134.1 Ų134.180%0.79978%0.775SS**PPolyproline II helixtrans-56138178.724.5-34000109.4
108A41.1Very low42Very low90 Ų90127.4 Ų127.474%0.74476%0.763SS**PPolyproline II helixtrans-50.7131.1-178.500000109.6P106 K110P106-A108 PolarHBondContact O-N 3.33Å; A108-K110 PolarHBondContact O-N 3.04Å
109P41Very low42Very low121 Ų121124.9 Ų124.979%0.78677%0.765SS**PPolyproline II helixtrans-56.8120-171.121.4-32.8000109.3A111P109-A111 PolarHBondContact O-N 3.04Å
110K42.8Very low41.6Very low202 Ų202130.2 Ų130.288%0.87877%0.771SS**PPolyproline II helixtrans-47.9128.3174.4-68.8-172.4-179.2-1780107.2A108 R112A108-K110 PolarHBondContact O-N 3.04Å; K110-R112 PolarHBondContact O-N 2.9Å
111A36.9Very low41.2Very low100 Ų100130.4 Ų130.483%0.82678%0.775SS**  trans-55.7104.1-171.100000110.1P109 R113P109-A111 PolarHBondContact O-N 3.04Å; A111-R113 PolarHBondContact O-N 3.01Å
112R41.2Very low40.9Very low235 Ų235133.6 Ų133.689%0.88778%0.78SS**PPolyproline II helixtrans-53.9129.9162.2-77.6-176171.9-96.11.1105.4K110 A114K110-R112 PolarHBondContact O-N 2.9Å; R112-A114 PolarHBondContact O-N 3.21Å
113R41.3Very low40.5Very low243 Ų243133.8 Ų133.892%0.91778%0.782SS**PPolyproline II helixtrans-48.1129168.4-79.3-179.2170.6-117.52.7106.6A111A111-R113 PolarHBondContact O-N 3.01Å
114A39.2Very low40.3Very low82 Ų82137.4 Ų137.468%0.67879%0.786SS**PPolyproline II helixtrans-55.9146.5170.800000107.9R112R112-A114 PolarHBondContact O-N 3.21Å
115P41.4Very low40Very low110 Ų110138 Ų13871%0.71479%0.791SS**PPolyproline II helixtrans-52.7145.3160.227.6-34.2000107.9S117P115-S117 PolarHBondContact O-N 3.13Å
116P37.4Very low39.8Very low124 Ų124142 Ų14281%0.80580%0.8SS**PPolyproline II helixtrans-54.5129.9173.424.7-33000108.3
117S41.3Very low39.9Very low99 Ų99142.2 Ų142.269%0.69281%0.81SS**PPolyproline II helixtrans-55.2146.9170.1-60.20000108.8P115 A119P115-S117 PolarHBondContact O-N 3.13Å; S117-A119 PolarHBondContact O-N 2.81Å
118P39.8Very low39.7Very low107 Ų107139.6 Ų139.670%0.69581%0.806SS**PPolyproline II helixtrans-52.9139.9168.425.3-34.5000108.8W120P118-W120 PolarHBondContact O-N 2.89Å; P118-W120 VanDerWaalsContact O-N 3.11Å
119A40.3Very low39.5Very low103 Ų103143.6 Ų143.685%0.85181%0.813SS**PPolyproline II helixtrans-60.7116.9-173.400000110.3S117S117-A119 PolarHBondContact O-N 2.81Å
120W34.9Very low39.4Very low220 Ų220146.6 Ų146.683%0.83382%0.817SS**  trans-89.3112.3166.4-73.274.5000106.6P118 E122P118-W120 PolarHBondContact O-N 2.89Å; P118-W120 VanDerWaalsContact O-N 3.11Å; W120-E122 PolarHBondContact O-N 2.82Å
121S35.8Very low39.3Very low117 Ų117142.8 Ų142.882%0.81881%0.813SS**PPolyproline II helixtrans-61.2119.6173.2-51.60000109.3
122E37.5Very low39.5Very low181 Ų181147.3 Ų147.385%0.84682%0.817SS**PPolyproline II helixtrans-71.9128168.7-67.6-179.494.600108.3W120W120-E122 PolarHBondContact O-N 2.82Å
123P39.1Very low39.3Very low120 Ų120147.5 Ų147.578%0.77982%0.818SS**PPolyproline II helixtrans-70.4134.8165.130.3-31.9000108.5
124E41.2Very low39.3Very low182 Ų182144.1 Ų144.185%0.8581%0.812SS**PPolyproline II helixtrans-65.6139.8-176.7-60.6-159.4115.500111.8E126E124-E126 PolarHBondContact O-N 2.89Å
125P40.1Very low39.3Very low125 Ų125146.1 Ų146.181%0.81282%0.818SS**PPolyproline II helixtrans-76.4121.4173.430.7-32.1000110.2
126E38.9Very low39.3Very low195 Ų195143.9 Ų143.991%0.91182%0.816SS**PPolyproline II helixtrans-61.6148.7175-66.5-164.7114.100112.2E124 G128E124-E126 PolarHBondContact O-N 2.89Å; E126-G128 PolarHBondContact O-N 3.33Å
127A43.9Very low39.7Very low107 Ų107144.3 Ų144.388%0.88482%0.818SS**  trans-69.996.6-16800000113.5
128G38.1Very low39.7Very low69 Ų69144.7 Ų144.771%0.71183%0.828SS**  trans-82.4113.3165.300000111.3E126 E130E126-G128 PolarHBondContact O-N 3.33Å; G128-E130 PolarHBondContact O-N 3.23Å
129L36.9Very low39.7Very low173 Ų173143.1 Ų143.191%0.90683%0.831SS**PPolyproline II helixtrans-49.5120.5-179.4-67.8154.9000113.1
130E39Very low39.8Very low185 Ų185144.3 Ų144.386%0.86483%0.833SS**PPolyproline II helixtrans-80.2131.5166.1-68.9-140113.500110.7G128G128-E130 PolarHBondContact O-N 3.23Å
131P41.4Very low40.1Very low121 Ų121137.2 Ų137.279%0.78683%0.828SS**PPolyproline II helixtrans-81.2117.116431.4-29.6000109.7
132E41.5Very low40.7Very low196 Ų196140.4 Ų140.492%0.91683%0.83SS**PPolyproline II helixtrans-57147.2179-62.8-170.896.100112.3
133R36.7Very low41.3Very low239 Ų239138 Ų13890%0.90283%0.83SS**  trans-128.999.7-179.7-160.3175.7-160.6154.98.9112
134E40.2Very low41.7Very low171 Ų171135 Ų13580%0.79982%0.821SS**  trans-35128.4176-68.9-7288.100114.6G136E134-G136 PolarHBondContact O-N 3.25Å
135P40.3Very low42.3Very low124 Ų124134.1 Ų134.181%0.80582%0.821SS**  trans-76.6107.1176.730.1-32.9000111.7
136G42.2Very low42.7Very low64 Ų64139.7 Ų139.766%0.6683%0.826SS**  trans-63.8160.3173.500000114.2E134E134-G136 PolarHBondContact O-N 3.25Å
137P44.1Very low43.4Very low132 Ų132138.3 Ų138.386%0.85782%0.82SS**  trans-69.5150.4-163.226.8-36000115.2G139P137-G139 PolarHBondContact O-N 2.98Å
138A42.6Very low43.6Very low108 Ų108144.6 Ų144.689%0.89382%0.821SS**  trans-72.587.8179.500000112.6S140A138-S140 PolarHBondContact O-N 3.04Å
139G38.6Very low44.4Very low74 Ų74146.8 Ų146.876%0.76382%0.82SS**  trans-69.3116.717200000112.5P137 G141P137-G139 PolarHBondContact O-N 2.98Å; G139-G141 PolarHBondContact O-N 2.91Å; G139-G141 VanDerWaalsContact O-N 3.07Å
140S42.9Very low45.2Very low128 Ų128149.9 Ų149.990%0.89582%0.82SS**  trans-72.194.817554.90000111.4A138A138-S140 PolarHBondContact O-N 3.04Å
141G42Very low46.3Very low71 Ų71152.3 Ų152.373%0.73282%0.821SS**  trans-99135.3174.500000112.8G139G139-G141 PolarHBondContact O-N 2.91Å; G139-G141 VanDerWaalsContact O-N 3.07Å
142E48Very low46.8Very low183 Ų183149.8 Ų149.886%0.85582%0.817SS**  trans-57.9159.1175.2-73.6-176.181.700113.6G144E142-G144 PolarHBondContact O-N 3.38Å
143P49.6Very low47.5Very low132 Ų132150.3 Ų150.386%0.85781%0.811SS**  trans-72.857.7173.933.2-37.4000112.6L145P143-L145 PolarHBondContact O-N 2.78Å
144G47.4Very low48.5Very low57 Ų57141.6 Ų141.659%0.58879%0.786SS**  trans-54.8133175.800000111.8E142 R146E142-G144 PolarHBondContact O-N 3.38Å; G144-R146 PolarHBondContact O-N 3.23Å; G144-R146 VanDerWaalsContact O-N 3.08Å
145L53.7Low49.3Very low163 Ų163144.2 Ų144.285%0.85379%0.789SS**  trans-48.3116.3-177.4-75.5164.9000111.1P143 Q147P143-L145 PolarHBondContact O-N 2.78Å; L145-Q147 PolarHBondContact O-N 2.71Å
146R48.4Very low50Low242 Ų242141.8 Ų141.891%0.91378%0.779SS**  trans-69.272.2179.9-71.9-175.1177-95.83.6111.6G144 R148G144-R146 PolarHBondContact O-N 3.23Å; G144-R146 VanDerWaalsContact O-N 3.08Å; R146-R148 PolarHBondContact O-N 3.39Å; R146-R148 VanDerWaalsContact O-N 3.13Å
147Q53.7Low50.5Low166 Ų166143.3 Ų143.378%0.77677%0.772SS**  trans-55.8119.2168.4-65.3-169.117.200108.3L145 V149L145-Q147 PolarHBondContact O-N 2.71Å; Q147-V149 PolarHBondContact O-N 3.41Å
148R47.4Very low51.1Low239 Ų239143 Ų14390%0.90276%0.762SS**  trans-73.378.3172.8-68.2-176.1-174.5-98.83.8108.5R146 R150R146-R148 PolarHBondContact O-N 3.39Å; R146-R148 VanDerWaalsContact O-N 3.13Å; R148-R150 VanDerWaalsContact C-N 3.34Å; R148-R150 PolarHBondContact O-N 3.47Å
149V56.3Low51.6Low115 Ų115145.7 Ų145.770%0.69776%0.757SS**  trans-54.1103.5166.5-179.60000106.6Q147 R151Q147-V149 PolarHBondContact O-N 3.41Å; V149-R151 PolarHBondContact O-N 3.48Å
150R53.9Low52.5Low238 Ų238146.6 Ų146.690%0.89875%0.751SS**  trans-66.692.8169.9-70.5-173.6-179.4-165.82.2105.6R148 G152R148-R150 VanDerWaalsContact C-N 3.34Å; R148-R150 PolarHBondContact O-N 3.47Å; R150-G152 VanDerWaalsContact C-N 3.31Å; R150-G152 PolarHBondContact O-N 2.88Å
151R60.6Low53.4Low235 Ų235146.1 Ų146.189%0.88775%0.745SS**  trans-53.3102.7167.3-73.8-171.6176.6-136.50.7106.5V149 R153V149-R151 PolarHBondContact O-N 3.48Å; R151-R153 PolarHBondContact O-N 3.13Å
152G53.1Low54.7Low69 Ų69149.5 Ų149.571%0.71174%0.742SS**PPolyproline II helixtrans-58.3125.3174.100000106.7R150 S154R150-G152 VanDerWaalsContact C-N 3.31Å; R150-G152 PolarHBondContact O-N 2.88Å; G152-S154 PolarHBondContact O-N 2.93Å
153R56.1Low55.8Low207 Ų207151.4 Ų151.478%0.78174%0.741SS**PPolyproline II helixtrans-57.1119.1171.9-75.2179.2172.2-114.9-2.3106.6R151R151-R153 PolarHBondContact O-N 3.13Å
154S57.4Low57.4Low55 Ų55153 Ų15339%0.38574%0.735SS.*PPolyproline II helixtrans-64.4158176.476.60000108.3G152 A156 D157G152-S154 PolarHBondContact O-N 2.93Å; S154-A156 PolarHBondContact O-N 3.49Å; S154-A156 PolarHBondContact OG-N 2.91Å; S154-D157 WeakPolarHBondContact CA-OD2 3.4Å; S154-D157 VanDerWaalsContact CB-OD2 3.27Å; S154-D157 WeakPolarHBondContact CB-OD2 3.37Å; S154-D157 PolarHBondContact N-OD2 3.44Å; S154-D157 PolarHBondContact O-N 2.99Å; S154-D157 PolarHBondContact OG-N 3.34Å; S154-D157 PolarHBondContact OG-OD2 3.25Å
155R56.4Low59.3Low226 Ų226153.4 Ų153.485%0.85372%0.721SS**G310 helixtrans-64-23.8177.3-154.4170.1-177.7169.4-1.8111.7
156A55.6Low60.9Low73 Ų73152 Ų15260%0.60371%0.708SS**G310 helixtrans-74.8-29.2176.400000113.9S154 L158 E159S154-A156 PolarHBondContact O-N 3.49Å; S154-A156 PolarHBondContact OG-N 2.91Å; A156-L158 PolarHBondContact O-N 2.91Å; A156-E159 PolarHBondContact O-N 3.49Å
157D52.3Low62.9Low96 Ų96141 Ų14151%0.51367%0.668SS.*G310 helixtrans-63.1-13.3176.6-68.5-71.3000113.3S154S154-D157 WeakPolarHBondContact CA-OD2 3.4Å; S154-D157 VanDerWaalsContact CB-OD2 3.27Å; S154-D157 WeakPolarHBondContact CB-OD2 3.37Å; S154-D157 PolarHBondContact N-OD2 3.44Å; S154-D157 PolarHBondContact O-N 2.99Å; S154-D157 PolarHBondContact OG-N 3.34Å; S154-D157 PolarHBondContact OG-OD2 3.25Å
158L56.5Low64.5Low125 Ų125141.1 Ų141.165%0.65467%0.668SS**G310 helixtrans-84.6-15.9-178.9-67.2168.8000113.5A156A156-L158 PolarHBondContact O-N 2.91Å
159E53Low66.3Low166 Ų166136 Ų13678%0.77665%0.65SS**G310 helixtrans-98.820.2179.9-69-179.287.900113A156 P161A156-E159 PolarHBondContact O-N 3.49Å; E159-P161 WeakPolarHBondContact O-CD 3.38Å
160S58.1Low67.7Low93 Ų93135 Ų13565%0.6565%0.654SS**SBendtrans-55.2121.1165.3-169.50000110Q162S160-Q162 PolarHBondContact O-N 3.06Å
161P63Low69.2Low117 Ų117128 Ų12876%0.7666%0.655SS**  trans-60.4114.3-172.9-26.835.2000111.9E159 R163E159-P161 WeakPolarHBondContact O-CD 3.38Å; P161-R163 PolarHBondContact O-N 3.07Å
162Q67.9Low70.3Confident142 Ų142117.5 Ų117.566%0.66462%0.618SS**  trans-62.4102.8177.5-67.7-171.812.800109.5S160 K164S160-Q162 PolarHBondContact O-N 3.06Å; Q162-K164 PolarHBondContact O-N 3.36Å
163R70.9Confident72Confident223 Ų223123.2 Ų123.284%0.84263%0.626SS**  trans-53.1106.5179-88.8-170.2168.5-141.6-1109.5P161 H165P161-R163 PolarHBondContact O-N 3.07Å; R163-H165 PolarHBondContact O-CD2 3.21Å; R163-H165 VanDerWaalsContact O-CD2 3.23Å; R163-H165 PolarHBondContact O-N 3.44Å; R163-H165 PolarHBondContact O-NE2 2.88Å
164K84Confident73.5Confident167 Ų167118.6 Ų118.673%0.72661%0.612SS**  trans-66.9114.9-175.3-66.4-179.8-1771740109.6Q162 K166 V175Q162-K164 PolarHBondContact O-N 3.36Å; K164-K166 PolarHBondContact O-N 3.33Å; K164-V175 HydrophobicContact CB-CG1 3.69Å; K164-V175 HydrophobicContact CG-CG1 4.49Å
165H86.8Confident75Confident65 Ų65119.6 Ų119.630%0.30162%0.615SS.*EExtended strand (participates in β ladder)trans-82.599.9-178.9-59.6-81.5000109.9R163 Y176 S179 L182R163-H165 PolarHBondContact O-CD2 3.21Å; R163-H165 VanDerWaalsContact O-CD2 3.23Å; R163-H165 PolarHBondContact O-N 3.44Å; R163-H165 PolarHBondContact O-NE2 2.88Å; H165-Y176 WeakPolarHBondContact CB-O 3.44Å; H165-Y176 PolarHBondContact N-O 3.24Å; H165-Y176 PolarHBondContact O-N 3.02Å; H165-S179 PolarHBondContact CD2-N 3.46Å; H165-S179 PolarHBondContact NE2-N 2.76Å; H165-L182 HydrophobicContact CB-CB 4Å; H165-L182 HydrophobicContact CB-CD2 3.81Å
166K88.1Confident76.5Confident132 Ų132111.5 Ų111.557%0.57459%0.585SS**EExtended strand (participates in β ladder)trans-75.8150175.5-58-171.2179.4-177.90111.2K164 H168 V175 L182K164-K166 PolarHBondContact O-N 3.33Å; K166-H168 PolarHBondContact O-CE1 2.88Å; K166-V175 HydrophobicContact CB-CG2 4.5Å; K166-V175 HydrophobicContact CG-CG1 4.2Å; K166-V175 HydrophobicContact CG-CG2 4.02Å; K166-L182 VanDerWaalsContact O-CD2 3.22Å; K166-L182 WeakPolarHBondContact O-CD2 3.46Å
167C90Very high78Confident12 Ų12110 Ų1108%0.08158%0.576CS.*  trans-77.1146.2160-163.30000109.7C172 K174 L182 H185C167-C172 WeakPolarHBondContact CB-O 3.5Å; C167-K174 WeakPolarHBondContact CB-O 3.26Å; C167-K174 PolarHBondContact N-O 3.43Å; C167-L182 HydrophobicContact CB-CD1 4.02Å; C167-H185 PolarHBondContact SG-NE2 3.34Å
168H86.5Confident79.6Confident168 Ų168111 Ų11178%0.77858%0.576SS**  trans-115.811179.6-52.9111000112K166K166-H168 PolarHBondContact O-CE1 2.88Å
169Y86.3Confident81Confident133 Ų133108.6 Ų108.652%0.52257%0.57SS.*SBendtrans-79.3135.5177.7-158.4-89.2000109.8G171 C172 H189Y169-G171 PolarHBondContact O-N 2.77Å; Y169-C172 WeakPolarHBondContact O-CB 3.44Å; Y169-C172 PolarHBondContact O-N 3.32Å; Y169-H189 HydrophobicContact CD1-CB 4.47Å; Y169-H189 AromaticContact CD1-CE1 3.69Å; Y169-H189 AromaticContact CD1-CG 3.91Å; Y169-H189 AromaticContact CD1-ND1 3.6Å; Y169-H189 HydrophobicContact CD2-CB 3.77Å; Y169-H189 AromaticContact CD2-CG 3.85Å; Y169-H189 HydrophobicContact CE1-CB 4.5Å; Y169-H189 AromaticContact CE1-ND1 3.93Å; Y169-H189 HydrophobicContact CE2-CB 3.81Å; Y169-H189 HydrophobicContact CG-CB 4.11Å; Y169-H189 AromaticContact CG-CD2 3.7Å; Y169-H189 AromaticContact CG-CE1 3.91Å; Y169-H189 AromaticContact CG-CG 3.66Å; Y169-H189 AromaticContact CG-ND1 3.85Å; Y169-H189 AromaticContact CG-NE2 3.85Å
170A86.1Confident82.5Confident93 Ų93104.1 Ų104.177%0.76956%0.557SS**THydrogen-bonded Turntrans-54.6132.9-178.900000111.2C172A170-C172 VanDerWaalsContact C-N 3.31Å; A170-C172 PolarHBondContact O-N 2.85Å
171G83.8Confident83.8Confident90 Ų90104.4 Ų104.493%0.92855%0.548SS*.THydrogen-bonded Turntrans70.416.6-175.600000115.5Y169Y169-G171 PolarHBondContact O-N 2.77Å
172C85.5Confident84.9Confident16 Ų1699.9 Ų99.911%0.10852%0.517CS..  trans-129.987.9-179.9-149.10000114.7C167 Y169 A170 K174 H185 H189C167-C172 WeakPolarHBondContact CB-O 3.5Å; Y169-C172 WeakPolarHBondContact O-CB 3.44Å; Y169-C172 PolarHBondContact O-N 3.32Å; A170-C172 VanDerWaalsContact C-N 3.31Å; A170-C172 PolarHBondContact O-N 2.85Å; C172-K174 PolarHBondContact O-N 3.31Å; C172-H185 PolarHBondContact SG-NE2 3.36Å; C172-H189 VanDerWaalsContact SG-CE1 3.51Å; C172-H189 PolarHBondContact SG-NE2 2.97Å; C172-H189 VanDerWaalsContact SG-NE2 3.44Å
173E87.1Confident85.7Confident188 Ų188100.3 Ų100.388%0.87952%0.517SS*.  trans-77.419-176.8-53.4-175.7147.700115V175E173-V175 WeakPolarHBondContact O-CG2 3.43Å; E173-V175 PolarHBondContact O-N 3.44Å
174K88.6Confident86.3Confident111 Ų11190.7 Ų90.748%0.48349%0.485SS..  trans-76129.8-170.5-66.6176.8-174.4164.10111.8C167 C172 Y176C167-K174 WeakPolarHBondContact CB-O 3.26Å; C167-K174 PolarHBondContact N-O 3.43Å; C172-K174 PolarHBondContact O-N 3.31Å; K174-Y176 HydrophobicContact CB-CE2 3.67Å
175V89.3Confident86.3Confident75 Ų7583.2 Ų83.246%0.45545%0.452SS..EExtended strand (participates in β ladder)trans-120.9137.4-175.7-171.20000111.2K164 K166 E173K164-V175 HydrophobicContact CB-CG1 3.69Å; K164-V175 HydrophobicContact CG-CG1 4.49Å; K166-V175 HydrophobicContact CB-CG2 4.5Å; K166-V175 HydrophobicContact CG-CG1 4.2Å; K166-V175 HydrophobicContact CG-CG2 4.02Å; E173-V175 WeakPolarHBondContact O-CG2 3.43Å; E173-V175 PolarHBondContact O-N 3.44Å
176Y88.2Confident86.2Confident57 Ų5783.4 Ų83.422%0.22446%0.455CS..EExtended strand (participates in β ladder)trans-128.9132.4-172.5-60.9-88.3000112.1H165 K174 K178 H181 L182 H185H165-Y176 WeakPolarHBondContact CB-O 3.44Å; H165-Y176 PolarHBondContact N-O 3.24Å; H165-Y176 PolarHBondContact O-N 3.02Å; K174-Y176 HydrophobicContact CB-CE2 3.67Å; Y176-K178 PolarHBondContact O-N 3.07Å; Y176-K178 VanDerWaalsContact O-N 3.17Å; Y176-H181 HydrophobicContact CD1-CB 3.61Å; Y176-H181 HydrophobicContact CE1-CB 4.45Å; Y176-H181 HydrophobicContact CG-CB 4.1Å; Y176-L182 HydrophobicContact CD2-CB 4.09Å; Y176-L182 HydrophobicContact CD2-CD1 4.04Å; Y176-L182 HydrophobicContact CE2-CD1 4.34Å; Y176-L182 HydrophobicContact CG-CB 4.4Å; Y176-H185 HydrophobicContact CE1-CB 4.38Å; Y176-H185 HydrophobicContact CE2-CB 3.91Å; Y176-H185 AromaticContact CE2-CD2 3.37Å; Y176-H185 WeakPolarHBondContact CE2-CD2 3.28Å; Y176-H185 AromaticContact CE2-CG 3.84Å; Y176-H185 AromaticContact CZ-CD2 3.73Å; Y176-H185 AromaticContact CZ-CG 3.75Å; Y176-H185 WeakPolarHBondContact OH-CB 3.45Å; Y176-H185 PolarHBondContact OH-CD2 3.09Å; Y176-H185 VanDerWaalsContact OH-CG 3.23Å
177G86.6Confident86Confident41 Ų4180 Ų8042%0.42344%0.439SS..SBendtrans-71-1173.200000115.1
178K86Confident85.5Confident118 Ų11883.7 Ų83.751%0.51346%0.461SS..SBendtrans-141.6132-179.4-62.9-174.5-179.2-178.90111.4Y176 S180 H181 L182Y176-K178 PolarHBondContact O-N 3.07Å; Y176-K178 VanDerWaalsContact O-N 3.17Å; K178-S180 PolarHBondContact O-N 3.26Å; K178-H181 HydrophobicContact CB-CB 4.46Å; K178-H181 WeakPolarHBondContact O-CB 3.46Å; K178-H181 PolarHBondContact O-N 2.81Å; K178-L182 PolarHBondContact O-N 2.82Å
179S84.9Confident85.3Confident74 Ų7478.1 Ų78.152%0.51744%0.436SS..Hα-helixtrans-56.9-36.1177.957.10000112.9H165 H181 L182 K183H165-S179 PolarHBondContact CD2-N 3.46Å; H165-S179 PolarHBondContact NE2-N 2.76Å; S179-H181 VanDerWaalsContact C-N 3.3Å; S179-H181 PolarHBondContact O-N 2.61Å; S179-L182 PolarHBondContact O-N 2.83Å; S179-K183 WeakPolarHBondContact O-CB 3.44Å; S179-K183 PolarHBondContact O-N 3.23Å
180S84.3Confident85Confident72 Ų7276.2 Ų76.250%0.50344%0.438SS..Hα-helixtrans-63-33.6175.257.10000113.1K178 A184K178-S180 PolarHBondContact O-N 3.26Å; S180-A184 WeakPolarHBondContact O-CB 3.37Å; S180-A184 PolarHBondContact O-N 3.18Å
181H85.6Confident84.5Confident99 Ų9974.2 Ų74.246%0.45843%0.426SS..Hα-helixtrans-75.2-41.1176.7-65.3-171.8000111.1Y176 K178 S179 A184 H185Y176-H181 HydrophobicContact CD1-CB 3.61Å; Y176-H181 HydrophobicContact CE1-CB 4.45Å; Y176-H181 HydrophobicContact CG-CB 4.1Å; K178-H181 HydrophobicContact CB-CB 4.46Å; K178-H181 WeakPolarHBondContact O-CB 3.46Å; K178-H181 PolarHBondContact O-N 2.81Å; S179-H181 VanDerWaalsContact C-N 3.3Å; S179-H181 PolarHBondContact O-N 2.61Å; H181-A184 PolarHBondContact O-N 3.42Å; H181-H185 PolarHBondContact O-N 3.06Å
182L87.5Confident84.2Confident22 Ų2275.1 Ų75.112%0.11541%0.406CS..Hα-helixtrans-59.8-48171.1175.263000110.7H165 K166 C167 Y176 K178 S179 A184 H185 L186H165-L182 HydrophobicContact CB-CB 4Å; H165-L182 HydrophobicContact CB-CD2 3.81Å; K166-L182 VanDerWaalsContact O-CD2 3.22Å; K166-L182 WeakPolarHBondContact O-CD2 3.46Å; C167-L182 HydrophobicContact CB-CD1 4.02Å; Y176-L182 HydrophobicContact CD2-CB 4.09Å; Y176-L182 HydrophobicContact CD2-CD1 4.04Å; Y176-L182 HydrophobicContact CE2-CD1 4.34Å; Y176-L182 HydrophobicContact CG-CB 4.4Å; K178-L182 PolarHBondContact O-N 2.82Å; S179-L182 PolarHBondContact O-N 2.83Å; L182-A184 VanDerWaalsContact C-N 3.25Å; L182-A184 PolarHBondContact O-N 3.04Å; L182-H185 CarbonylContact O-C 3.56Å; L182-H185 WeakPolarHBondContact O-CA 3.11Å; L182-H185 WeakPolarHBondContact O-CB 3.39Å; L182-H185 PolarHBondContact O-N 3.21Å; L182-L186 HydrophobicContact CD1-CD2 4.3Å; L182-L186 HydrophobicContact CD1-CG 4.14Å; L182-L186 HydrophobicContact CG-CD1 4.25Å; L182-L186 HydrophobicContact CG-CG 4.33Å; L182-L186 WeakPolarHBondContact O-CG 3.45Å; L182-L186 PolarHBondContact O-N 3.2Å
183K84.1Confident83.9Confident151 Ų15181.5 Ų81.566%0.65743%0.428SS*.Hα-helixtrans-63.6-30.1-179.9-164.5165.2-170.2167.50112.9S179S179-K183 WeakPolarHBondContact O-CB 3.44Å; S179-K183 PolarHBondContact O-N 3.23Å
184A82.3Confident83.5Confident20 Ų2076.2 Ų76.217%0.16541%0.41CS..Hα-helixtrans-75-31.5170.600000113S180 H181 L182 R208S180-A184 WeakPolarHBondContact O-CB 3.37Å; S180-A184 PolarHBondContact O-N 3.18Å; H181-A184 PolarHBondContact O-N 3.42Å; L182-A184 VanDerWaalsContact C-N 3.25Å; L182-A184 PolarHBondContact O-N 3.04Å; A184-R208 HydrophobicContact CB-CG 4.35Å
185H85.1Confident83.1Confident10 Ų1073.7 Ų73.75%0.04640%0.399CS..Hα-helixtrans-71.2-40.2173.4167.636.8000112.6C167 C172 Y176 H181 L182 R187 T188 H189C167-H185 PolarHBondContact SG-NE2 3.34Å; C172-H185 PolarHBondContact SG-NE2 3.36Å; Y176-H185 HydrophobicContact CE1-CB 4.38Å; Y176-H185 HydrophobicContact CE2-CB 3.91Å; Y176-H185 AromaticContact CE2-CD2 3.37Å; Y176-H185 WeakPolarHBondContact CE2-CD2 3.28Å; Y176-H185 AromaticContact CE2-CG 3.84Å; Y176-H185 AromaticContact CZ-CD2 3.73Å; Y176-H185 AromaticContact CZ-CG 3.75Å; Y176-H185 WeakPolarHBondContact OH-CB 3.45Å; Y176-H185 PolarHBondContact OH-CD2 3.09Å; Y176-H185 VanDerWaalsContact OH-CG 3.23Å; H181-H185 PolarHBondContact O-N 3.06Å; L182-H185 CarbonylContact O-C 3.56Å; L182-H185 WeakPolarHBondContact O-CA 3.11Å; L182-H185 WeakPolarHBondContact O-CB 3.39Å; L182-H185 PolarHBondContact O-N 3.21Å; H185-R187 PolarHBondContact O-N 3.12Å; H185-T188 PolarHBondContact CE1-OG1 3.21Å; H185-T188 PolarHBondContact ND1-OG1 2.82Å; H185-T188 WeakPolarHBondContact O-CB 3.42Å; H185-T188 PolarHBondContact O-N 2.93Å; H185-T188 PolarHBondContact O-OG1 3.48Å; H185-H189 AromaticContact CE1-CD2 3.76Å; H185-H189 AromaticContact CE1-CE1 3.88Å; H185-H189 AromaticContact CE1-NE2 3.2Å; H185-H189 PolarHBondContact CE1-NE2 3.16Å; H185-H189 AromaticContact NE2-CD2 3.98Å; H185-H189 AromaticContact NE2-NE2 3.36Å; H185-H189 PolarHBondContact NE2-NE2 2.94Å
186L84.6Confident82.8Confident70 Ų7072.5 Ų72.537%0.36640%0.398SS..Hα-helixtrans-57.1-27.4-179.6-68.5172.7000112.6L182 T188 H189 T190L182-L186 HydrophobicContact CD1-CD2 4.3Å; L182-L186 HydrophobicContact CD1-CG 4.14Å; L182-L186 HydrophobicContact CG-CD1 4.25Å; L182-L186 HydrophobicContact CG-CG 4.33Å; L182-L186 WeakPolarHBondContact O-CG 3.45Å; L182-L186 PolarHBondContact O-N 3.2Å; L186-T188 PolarHBondContact O-N 3.3Å; L186-H189 WeakPolarHBondContact O-CB 3.37Å; L186-H189 PolarHBondContact O-N 3.1Å; L186-T190 PolarHBondContact O-N 3.4Å
187R83.2Confident82.7Confident59 Ų5970.4 Ų70.422%0.22339%0.391CS..Hα-helixtrans-63.4-21171-64.3-173.3-179.3132.96.4115H185 G191 E192 A207H185-R187 PolarHBondContact O-N 3.12Å; R187-G191 WeakPolarHBondContact O-CA 3.38Å; R187-G191 PolarHBondContact O-N 3.03Å; R187-E192 HydrophobicContact CB-CB 4.32Å; R187-E192 HydrophobicContact CG-CB 4.08Å; R187-E192 IonicContact NE-OE2 2.88Å; R187-E192 PolarHBondContact O-N 3.23Å; R187-A207 HydrophobicContact CB-CB 4.21Å; R187-A207 WeakPolarHBondContact CD-O 3.18Å; R187-A207 PolarHBondContact NH1-O 3.23Å
188T80.6Confident82.5Confident90 Ų9072.9 Ų72.955%0.55240%0.402SS*.Hα-helixtrans-75.7-15.8172.272.70000112.4H185 L186H185-T188 PolarHBondContact CE1-OG1 3.21Å; H185-T188 PolarHBondContact ND1-OG1 2.82Å; H185-T188 WeakPolarHBondContact O-CB 3.42Å; H185-T188 PolarHBondContact O-N 2.93Å; H185-T188 PolarHBondContact O-OG1 3.48Å; L186-T188 PolarHBondContact O-N 3.3Å
189H81.8Confident82.1Confident52 Ų5272.2 Ų72.224%0.24140%0.396CS..Hα-helixtrans-95.3-42173.2-63.1-53.8000111.6Y169 C172 H185 L186 G191Y169-H189 HydrophobicContact CD1-CB 4.47Å; Y169-H189 AromaticContact CD1-CE1 3.69Å; Y169-H189 AromaticContact CD1-CG 3.91Å; Y169-H189 AromaticContact CD1-ND1 3.6Å; Y169-H189 HydrophobicContact CD2-CB 3.77Å; Y169-H189 AromaticContact CD2-CG 3.85Å; Y169-H189 HydrophobicContact CE1-CB 4.5Å; Y169-H189 AromaticContact CE1-ND1 3.93Å; Y169-H189 HydrophobicContact CE2-CB 3.81Å; Y169-H189 HydrophobicContact CG-CB 4.11Å; Y169-H189 AromaticContact CG-CD2 3.7Å; Y169-H189 AromaticContact CG-CE1 3.91Å; Y169-H189 AromaticContact CG-CG 3.66Å; Y169-H189 AromaticContact CG-ND1 3.85Å; Y169-H189 AromaticContact CG-NE2 3.85Å; C172-H189 VanDerWaalsContact SG-CE1 3.51Å; C172-H189 PolarHBondContact SG-NE2 2.97Å; C172-H189 VanDerWaalsContact SG-NE2 3.44Å; H185-H189 AromaticContact CE1-CD2 3.76Å; H185-H189 AromaticContact CE1-CE1 3.88Å; H185-H189 AromaticContact CE1-NE2 3.2Å; H185-H189 PolarHBondContact CE1-NE2 3.16Å; H185-H189 AromaticContact NE2-CD2 3.98Å; H185-H189 AromaticContact NE2-NE2 3.36Å; H185-H189 PolarHBondContact NE2-NE2 2.94Å; L186-H189 WeakPolarHBondContact O-CB 3.37Å; L186-H189 PolarHBondContact O-N 3.1Å; H189-G191 VanDerWaalsContact C-N 3.31Å; H189-G191 PolarHBondContact O-N 3.31Å
190T79.2Confident81.7Confident92 Ų9277.3 Ų77.356%0.56441%0.412SS*.Hα-helixtrans-80.1-8.3178.163.10000114.3L186 E192L186-T190 PolarHBondContact O-N 3.4Å; T190-E192 PolarHBondContact O-N 3.46Å; T190-E192 VanDerWaalsContact O-N 3.14Å; T190-E192 WeakPolarHBondContact OG1-CG 3.36Å
191G76.4Confident81.5Confident52 Ų5280.9 Ų80.954%0.53643%0.425SS..  trans70.41.2-177.300000114.9R187 H189 R193R187-G191 WeakPolarHBondContact O-CA 3.38Å; R187-G191 PolarHBondContact O-N 3.03Å; H189-G191 VanDerWaalsContact C-N 3.31Å; H189-G191 PolarHBondContact O-N 3.31Å; G191-R193 WeakPolarHBondContact O-CG 3.5Å; G191-R193 PolarHBondContact O-N 3.07Å
192E77Confident81.4Confident108 Ų10876.9 Ų76.951%0.50541%0.408SS..  trans-59.3123.3-178.3-78.5-17518000112.4R187 T190 P194R187-E192 HydrophobicContact CB-CB 4.32Å; R187-E192 HydrophobicContact CG-CB 4.08Å; R187-E192 IonicContact NE-OE2 2.88Å; R187-E192 PolarHBondContact O-N 3.23Å; T190-E192 PolarHBondContact O-N 3.46Å; T190-E192 VanDerWaalsContact O-N 3.14Å; T190-E192 WeakPolarHBondContact OG1-CG 3.36Å; E192-P194 WeakPolarHBondContact O-CD 3.27Å
193R78.9Confident80.9Confident151 Ų15182.8 Ų82.857%0.5744%0.44SS*.  trans-125.973.7177.3-66.9165.981.61483.4110.8G191 F195 K205 F206G191-R193 WeakPolarHBondContact O-CG 3.5Å; G191-R193 PolarHBondContact O-N 3.07Å; R193-F195 PolarHBondContact O-N 3.12Å; R193-K205 HydrophobicContact CB-CB 3.83Å; R193-K205 VanDerWaalsContact CZ-O 3.25Å; R193-K205 PolarHBondContact NE-O 2.89Å; R193-K205 PolarHBondContact NH2-O 3.13Å; R193-F206 CarbonylContact C-O 3.42Å; R193-F206 WeakPolarHBondContact CA-O 3.45Å
194P79.4Confident80.7Confident76 Ų7681.5 Ų81.549%0.49443%0.434SS..  trans-68.7-16.2-171.6-19.133.3000114.6E192E192-P194 WeakPolarHBondContact O-CD 3.27Å
195F80.7Confident80.8Confident58 Ų5886 Ų8625%0.25445%0.45SS..EExtended strand (participates in β ladder)trans-102.487.9-170.5-58.8-78.3000110.3R193 K205 F206 A207 L212R193-F195 PolarHBondContact O-N 3.12Å; F195-K205 CarbonylContact O-C 3.16Å; F195-K205 WeakPolarHBondContact O-CA 3.47Å; F195-F206 HydrophobicContact CB-CB 4.24Å; F195-F206 PolarHBondContact N-O 2.84Å; F195-F206 VanDerWaalsContact N-O 3.13Å; F195-F206 WeakPolarHBondContact O-CD2 3.41Å; F195-F206 PolarHBondContact O-N 2.81Å; F195-A207 WeakPolarHBondContact CE2-O 3.37Å; F195-L212 HydrophobicContact CB-CB 4.07Å; F195-L212 HydrophobicContact CB-CD2 3.83Å
196A82.9Confident80.7Confident51 Ų5187.2 Ų87.242%0.42146%0.455SS..EExtended strand (participates in β ladder)trans-77.7147.1173.400000112K205 L212A196-K205 HydrophobicContact CB-CG 4.11Å; A196-L212 VanDerWaalsContact O-CD2 3.26Å; A196-L212 WeakPolarHBondContact O-CD2 3.46Å
197C86.1Confident80.4Confident13 Ų1384.6 Ų84.69%0.08844%0.444CS..  trans-73.8135.9162.7-166.20000109.8W199 C202 K204 L212 Y216 H219C197-W199 VanDerWaalsContact C-N 3.34Å; C197-C202 WeakPolarHBondContact CB-O 3.29Å; C197-K204 WeakPolarHBondContact CB-O 3.45Å; C197-K204 PolarHBondContact N-O 2.84Å; C197-L212 HydrophobicContact CB-CD1 3.98Å; C197-Y216 WeakPolarHBondContact SG-CE1 3.19Å; C197-H219 PolarHBondContact SG-NE2 2.72Å; C197-H219 VanDerWaalsContact SG-NE2 3.44Å
198S81.8Confident80.2Confident93 Ų9386.7 Ų86.765%0.6545%0.452SS*.  trans-94.612.4176.9680000113Y216S198-Y216 PolarHBondContact N-OH 2.84Å; S198-Y216 PolarHBondContact OG-OH 2.93Å; S198-Y216 VanDerWaalsContact OG-OH 3.13Å
199W77.9Confident80.1Confident103 Ų10385.9 Ų85.939%0.3945%0.449SS..  trans-80.1127.2173.5-148.2-76.3000108.4C197 D201 C202 Y216 H219C197-W199 VanDerWaalsContact C-N 3.34Å; W199-D201 VanDerWaalsContact C-N 3.3Å; W199-D201 PolarHBondContact O-N 3.42Å; W199-C202 HydrophobicContact CB-CB 3.98Å; W199-C202 PolarHBondContact O-N 3.08Å; W199-Y216 HydrophobicContact CE3-CD1 4.5Å; W199-H219 HydrophobicContact CD2-CB 3.76Å; W199-H219 AromaticContact CD2-CD2 3.81Å; W199-H219 AromaticContact CD2-CG 3.7Å; W199-H219 HydrophobicContact CE3-CB 3.53Å; W199-H219 AromaticContact CE3-CD2 3.7Å; W199-H219 AromaticContact CE3-CG 3.75Å; W199-H219 AromaticContact CG-CD2 3.94Å; W199-H219 HydrophobicContact CH2-CB 3.68Å; W199-H219 HydrophobicContact CZ2-CB 3.91Å; W199-H219 HydrophobicContact CZ3-CB 3.49Å; W199-H219 VanDerWaalsContact CZ3-CB 3.49Å
200Q76.7Confident80Confident182 Ų18286.7 Ų86.785%0.8546%0.456SS*.THydrogen-bonded Turntrans-57.3-41.8-166.3-169.2165.1-10.600112.8C202Q200-C202 VanDerWaalsContact C-N 3.26Å; Q200-C202 PolarHBondContact O-N 2.82Å
201D80.3Confident80Confident147 Ų14784.5 Ų84.579%0.78644%0.439SS*.THydrogen-bonded Turntrans-8410178.6-40.1-75.9000113.8W199W199-D201 VanDerWaalsContact C-N 3.3Å; W199-D201 PolarHBondContact O-N 3.42Å
202C82.3Confident80.4Confident14 Ų1482.9 Ų82.910%0.09542%0.418CS..  trans-134.582.4-171.8-1470000114.6C197 W199 Q200 K204 H215 H219C197-C202 WeakPolarHBondContact CB-O 3.29Å; W199-C202 HydrophobicContact CB-CB 3.98Å; W199-C202 PolarHBondContact O-N 3.08Å; Q200-C202 VanDerWaalsContact C-N 3.26Å; Q200-C202 PolarHBondContact O-N 2.82Å; C202-K204 PolarHBondContact O-N 3.13Å; C202-H215 PolarHBondContact SG-NE2 3.06Å; C202-H219 VanDerWaalsContact SG-CE1 3.52Å
203N77.7Confident80.7Confident147 Ų14780.1 Ų80.179%0.78641%0.414SS*.  trans-68.625.6174.8-91.4-66.2000115.7
204K80.8Confident80.7Confident124 Ų12477.2 Ų77.254%0.53940%0.403SS..  trans-79.6123.9-177-68.9-176.5-177.9176.80111.6C197 C202 F206C197-K204 WeakPolarHBondContact CB-O 3.45Å; C197-K204 PolarHBondContact N-O 2.84Å; C202-K204 PolarHBondContact O-N 3.13Å; K204-F206 HydrophobicContact CB-CE2 3.78Å; K204-F206 HydrophobicContact CB-CZ 3.93Å; K204-F206 WeakPolarHBondContact O-CE2 3.46Å
205K84.3Confident80.9Confident113 Ų11374.3 Ų74.349%0.49138%0.383SS..EExtended strand (participates in β ladder)trans-110.8147179-57.1178.8-177.2174.60111.4R193 F195 A196R193-K205 HydrophobicContact CB-CB 3.83Å; R193-K205 VanDerWaalsContact CZ-O 3.25Å; R193-K205 PolarHBondContact NE-O 2.89Å; R193-K205 PolarHBondContact NH2-O 3.13Å; F195-K205 CarbonylContact O-C 3.16Å; F195-K205 WeakPolarHBondContact O-CA 3.47Å; A196-K205 HydrophobicContact CB-CG 4.11Å
206F82.1Confident80.8Confident36 Ų3674.3 Ų74.316%0.15838%0.381CS..EExtended strand (participates in β ladder)trans-131.5154.5-173.9-59.8-89.6000112.3R193 F195 K204 E211 L212 H215R193-F206 CarbonylContact C-O 3.42Å; R193-F206 WeakPolarHBondContact CA-O 3.45Å; F195-F206 HydrophobicContact CB-CB 4.24Å; F195-F206 PolarHBondContact N-O 2.84Å; F195-F206 VanDerWaalsContact N-O 3.13Å; F195-F206 WeakPolarHBondContact O-CD2 3.41Å; F195-F206 PolarHBondContact O-N 2.81Å; K204-F206 HydrophobicContact CB-CE2 3.78Å; K204-F206 HydrophobicContact CB-CZ 3.93Å; K204-F206 WeakPolarHBondContact O-CE2 3.46Å; F206-E211 HydrophobicContact CB-CB 3.98Å; F206-E211 HydrophobicContact CD1-CB 3.76Å; F206-E211 HydrophobicContact CG-CB 4.11Å; F206-L212 HydrophobicContact CB-CB 4.4Å; F206-L212 HydrophobicContact CD2-CB 4.06Å; F206-L212 HydrophobicContact CD2-CD1 3.93Å; F206-L212 HydrophobicContact CE2-CD1 4.17Å; F206-L212 HydrophobicContact CG-CB 4.37Å; F206-H215 HydrophobicContact CE1-CB 4.26Å; F206-H215 HydrophobicContact CE2-CB 3.98Å; F206-H215 AromaticContact CE2-CD2 3.28Å; F206-H215 WeakPolarHBondContact CE2-CD2 3.06Å; F206-H215 AromaticContact CE2-CG 3.84Å; F206-H215 HydrophobicContact CZ-CB 3.64Å; F206-H215 AromaticContact CZ-CD2 3.43Å; F206-H215 VanDerWaalsContact CZ-CD2 3.43Å; F206-H215 WeakPolarHBondContact CZ-CD2 3.29Å; F206-H215 AromaticContact CZ-CG 3.55Å
207A79.4Confident80.7Confident15 Ų1576.9 Ų76.912%0.12438%0.38CS..SBendtrans-83.6-20.7179.600000112.2R187 F195 E211R187-A207 HydrophobicContact CB-CB 4.21Å; R187-A207 WeakPolarHBondContact CD-O 3.18Å; R187-A207 PolarHBondContact NH1-O 3.23Å; F195-A207 WeakPolarHBondContact CE2-O 3.37Å; A207-E211 PolarHBondContact N-OE2 3.03Å
208R78.1Confident80.3Confident104 Ų10479.9 Ų79.939%0.39240%0.398SS..SBendtrans-130.1153.9178.2-37.8-163.4-45-157.86.1113A184 D210 E211 L212A184-R208 HydrophobicContact CB-CG 4.35Å; R208-D210 WeakPolarHBondContact CB-OD1 3.26Å; R208-D210 IonicContact CZ-OD1 3.89Å; R208-D210 IonicContact CZ-OD2 3.9Å; R208-D210 IonicContact NE-OD1 2.85Å; R208-D210 PolarHBondContact NE-OD1 3.08Å; R208-D210 IonicContact NE-OD2 3.23Å; R208-D210 VanDerWaalsContact NH2-CG 3.31Å; R208-D210 IonicContact NH2-OD1 3.23Å; R208-D210 PolarHBondContact NH2-OD1 3.43Å; R208-D210 IonicContact NH2-OD2 3.41Å; R208-D210 PolarHBondContact NH2-OD2 3.42Å; R208-E211 HydrophobicContact CB-CG 3.98Å; R208-E211 HydrophobicContact CG-CG 4.28Å; R208-E211 PolarHBondContact N-OE2 3.49Å; R208-E211 PolarHBondContact O-N 3.07Å; R208-L212 PolarHBondContact O-N 3.47Å
209S78.5Confident80.1Confident72 Ų7278 Ų7850%0.50338%0.379SS..Hα-helixtrans-69.7-33178.447.90000113.4E211 L212 A213S209-E211 VanDerWaalsContact C-N 3.34Å; S209-L212 PolarHBondContact O-N 3.41Å; S209-A213 WeakPolarHBondContact O-CB 3.24Å; S209-A213 PolarHBondContact O-N 3.19Å
210D78.7Confident80Confident69 Ų6976.7 Ų76.737%0.36938%0.383SS..Hα-helixtrans-70-31.7177.271.7-69.1000112.3R208 A213 R214R208-D210 WeakPolarHBondContact CB-OD1 3.26Å; R208-D210 IonicContact CZ-OD1 3.89Å; R208-D210 IonicContact CZ-OD2 3.9Å; R208-D210 IonicContact NE-OD1 2.85Å; R208-D210 PolarHBondContact NE-OD1 3.08Å; R208-D210 IonicContact NE-OD2 3.23Å; R208-D210 VanDerWaalsContact NH2-CG 3.31Å; R208-D210 IonicContact NH2-OD1 3.23Å; R208-D210 PolarHBondContact NH2-OD1 3.43Å; R208-D210 IonicContact NH2-OD2 3.41Å; R208-D210 PolarHBondContact NH2-OD2 3.42Å; D210-A213 PolarHBondContact O-N 3.19Å; D210-R214 WeakPolarHBondContact O-CB 3.41Å; D210-R214 PolarHBondContact O-N 3.35Å
211E80.9Confident79.7Confident46 Ų4670.3 Ų70.322%0.21537%0.366CS..Hα-helixtrans-65.6-43.6174.2-62.5173.6151.600110.9F206 A207 R208 S209 R214 H215F206-E211 HydrophobicContact CB-CB 3.98Å; F206-E211 HydrophobicContact CD1-CB 3.76Å; F206-E211 HydrophobicContact CG-CB 4.11Å; A207-E211 PolarHBondContact N-OE2 3.03Å; R208-E211 HydrophobicContact CB-CG 3.98Å; R208-E211 HydrophobicContact CG-CG 4.28Å; R208-E211 PolarHBondContact N-OE2 3.49Å; R208-E211 PolarHBondContact O-N 3.07Å; S209-E211 VanDerWaalsContact C-N 3.34Å; E211-R214 PolarHBondContact O-N 2.97Å; E211-H215 WeakPolarHBondContact O-CB 3.33Å; E211-H215 PolarHBondContact O-N 3.2Å
212L84.3Confident79.1Confident19 Ų1967.3 Ų67.310%0.09935%0.347CS..Hα-helixtrans-65.3-46.2173.8175.162000111.6F195 A196 C197 F206 R208 S209 R214 H215 Y216F195-L212 HydrophobicContact CB-CB 4.07Å; F195-L212 HydrophobicContact CB-CD2 3.83Å; A196-L212 VanDerWaalsContact O-CD2 3.26Å; A196-L212 WeakPolarHBondContact O-CD2 3.46Å; C197-L212 HydrophobicContact CB-CD1 3.98Å; F206-L212 HydrophobicContact CB-CB 4.4Å; F206-L212 HydrophobicContact CD2-CB 4.06Å; F206-L212 HydrophobicContact CD2-CD1 3.93Å; F206-L212 HydrophobicContact CE2-CD1 4.17Å; F206-L212 HydrophobicContact CG-CB 4.37Å; R208-L212 PolarHBondContact O-N 3.47Å; S209-L212 PolarHBondContact O-N 3.41Å; L212-R214 VanDerWaalsContact C-N 3.26Å; L212-R214 PolarHBondContact O-N 3.5Å; L212-H215 CarbonylContact O-C 3.54Å; L212-H215 WeakPolarHBondContact O-CA 3.5Å; L212-H215 WeakPolarHBondContact O-CB 3.46Å; L212-H215 PolarHBondContact O-N 2.73Å; L212-Y216 HydrophobicContact CD1-CD2 4.07Å; L212-Y216 HydrophobicContact CD1-CE2 3.55Å; L212-Y216 HydrophobicContact CD2-CE2 3.88Å; L212-Y216 HydrophobicContact CG-CD2 3.99Å; L212-Y216 HydrophobicContact CG-CE2 3.49Å; L212-Y216 VanDerWaalsContact CG-CE2 3.49Å; L212-Y216 WeakPolarHBondContact O-CD2 3.49Å; L212-Y216 PolarHBondContact O-N 3.11Å
213A82.3Confident78.7Confident50 Ų5072.3 Ų72.341%0.41337%0.367SS..Hα-helixtrans-62.4-32.8176.900000112.7S209 D210S209-A213 WeakPolarHBondContact O-CB 3.24Å; S209-A213 PolarHBondContact O-N 3.19Å; D210-A213 PolarHBondContact O-N 3.19Å
214R78.8Confident78.6Confident89 Ų8970.6 Ų70.634%0.33635%0.353SS..Hα-helixtrans-72.4-32.7170.9-179.6-178.766.1-169.8-5.5112.2D210 E211 L212 M235 R236D210-R214 WeakPolarHBondContact O-CB 3.41Å; D210-R214 PolarHBondContact O-N 3.35Å; E211-R214 PolarHBondContact O-N 2.97Å; L212-R214 VanDerWaalsContact C-N 3.26Å; L212-R214 PolarHBondContact O-N 3.5Å; R214-M235 HydrophobicContact CG-CE 4.42Å; R214-M235 WeakPolarHBondContact O-CE 3.41Å; R214-R236 HydrophobicContact CG-CG 4.29Å
215H83.6Confident78.5Confident16 Ų1666 Ų667%0.07433%0.333CS..Hα-helixtrans-71.8-40.7175.5172.436.4000112.6C202 F206 E211 L212 R217 T218 H219C202-H215 PolarHBondContact SG-NE2 3.06Å; F206-H215 HydrophobicContact CE1-CB 4.26Å; F206-H215 HydrophobicContact CE2-CB 3.98Å; F206-H215 AromaticContact CE2-CD2 3.28Å; F206-H215 WeakPolarHBondContact CE2-CD2 3.06Å; F206-H215 AromaticContact CE2-CG 3.84Å; F206-H215 HydrophobicContact CZ-CB 3.64Å; F206-H215 AromaticContact CZ-CD2 3.43Å; F206-H215 VanDerWaalsContact CZ-CD2 3.43Å; F206-H215 WeakPolarHBondContact CZ-CD2 3.29Å; F206-H215 AromaticContact CZ-CG 3.55Å; E211-H215 WeakPolarHBondContact O-CB 3.33Å; E211-H215 PolarHBondContact O-N 3.2Å; L212-H215 CarbonylContact O-C 3.54Å; L212-H215 WeakPolarHBondContact O-CA 3.5Å; L212-H215 WeakPolarHBondContact O-CB 3.46Å; L212-H215 PolarHBondContact O-N 2.73Å; H215-R217 PolarHBondContact O-N 3.42Å; H215-T218 PolarHBondContact CE1-OG1 3.49Å; H215-T218 PolarHBondContact ND1-OG1 2.77Å; H215-T218 WeakPolarHBondContact O-CB 3.24Å; H215-T218 PolarHBondContact O-N 3.36Å; H215-T218 PolarHBondContact O-OG1 3.08Å; H215-H219 AromaticContact CE1-CE1 3.69Å; H215-H219 AromaticContact CE1-NE2 3.25Å; H215-H219 PolarHBondContact CE1-NE2 2.83Å; H215-H219 VanDerWaalsContact CE1-NE2 3.25Å; H215-H219 AromaticContact NE2-NE2 3.34Å; H215-H219 PolarHBondContact NE2-NE2 3.31Å
216Y80.1Confident78.3Confident57 Ų5763.3 Ų63.322%0.22433%0.328CS..Hα-helixtrans-54.5-29.8177.1-78.5-61.1000113.2C197 S198 W199 L212 T218 H219 T220C197-Y216 WeakPolarHBondContact SG-CE1 3.19Å; S198-Y216 PolarHBondContact N-OH 2.84Å; S198-Y216 PolarHBondContact OG-OH 2.93Å; S198-Y216 VanDerWaalsContact OG-OH 3.13Å; W199-Y216 HydrophobicContact CE3-CD1 4.5Å; L212-Y216 HydrophobicContact CD1-CD2 4.07Å; L212-Y216 HydrophobicContact CD1-CE2 3.55Å; L212-Y216 HydrophobicContact CD2-CE2 3.88Å; L212-Y216 HydrophobicContact CG-CD2 3.99Å; L212-Y216 HydrophobicContact CG-CE2 3.49Å; L212-Y216 VanDerWaalsContact CG-CE2 3.49Å; L212-Y216 WeakPolarHBondContact O-CD2 3.49Å; L212-Y216 PolarHBondContact O-N 3.11Å; Y216-T218 PolarHBondContact O-N 2.75Å; Y216-H219 PolarHBondContact O-N 2.92Å; Y216-T220 PolarHBondContact O-N 3.06Å
217R79.8Confident78.3Confident105 Ų10561.7 Ų61.740%0.39632%0.321SS..Hα-helixtrans-64.9-19.6174.7-58177.8-169.4-172.6-0.7114.1H215 H219 G221 M235H215-R217 PolarHBondContact O-N 3.42Å; R217-H219 VanDerWaalsContact C-N 3.33Å; R217-G221 PolarHBondContact O-N 3.04Å; R217-G221 VanDerWaalsContact O-N 3.13Å; R217-M235 HydrophobicContact CB-CE 4.19Å; R217-M235 HydrophobicContact CB-CG 3.7Å; R217-M235 HydrophobicContact CB-SD 3.61Å; R217-M235 VanDerWaalsContact O-SD 3.38Å
218T77.6Confident78.3Confident77 Ų7765.3 Ų65.347%0.47234%0.344SS..Hα-helixtrans-73.6-28172.866.60000111.8H215 Y216 M235H215-T218 PolarHBondContact CE1-OG1 3.49Å; H215-T218 PolarHBondContact ND1-OG1 2.77Å; H215-T218 WeakPolarHBondContact O-CB 3.24Å; H215-T218 PolarHBondContact O-N 3.36Å; H215-T218 PolarHBondContact O-OG1 3.08Å; Y216-T218 PolarHBondContact O-N 2.75Å; T218-M235 HydrophobicContact CG2-CE 3.73Å; T218-M235 HydrophobicContact CG2-SD 3.63Å; T218-M235 PolarHBondContact N-SD 3.05Å
219H78.1Confident78.3Confident53 Ų5363.4 Ų63.425%0.24534%0.34CS..Hα-helixtrans-81.5-36.4176.8-59.9-52.7000112C197 W199 C202 H215 Y216 R217C197-H219 PolarHBondContact SG-NE2 2.72Å; C197-H219 VanDerWaalsContact SG-NE2 3.44Å; W199-H219 HydrophobicContact CD2-CB 3.76Å; W199-H219 AromaticContact CD2-CD2 3.81Å; W199-H219 AromaticContact CD2-CG 3.7Å; W199-H219 HydrophobicContact CE3-CB 3.53Å; W199-H219 AromaticContact CE3-CD2 3.7Å; W199-H219 AromaticContact CE3-CG 3.75Å; W199-H219 AromaticContact CG-CD2 3.94Å; W199-H219 HydrophobicContact CH2-CB 3.68Å; W199-H219 HydrophobicContact CZ2-CB 3.91Å; W199-H219 HydrophobicContact CZ3-CB 3.49Å; W199-H219 VanDerWaalsContact CZ3-CB 3.49Å; C202-H219 VanDerWaalsContact SG-CE1 3.52Å; H215-H219 AromaticContact CE1-CE1 3.69Å; H215-H219 AromaticContact CE1-NE2 3.25Å; H215-H219 PolarHBondContact CE1-NE2 2.83Å; H215-H219 VanDerWaalsContact CE1-NE2 3.25Å; H215-H219 AromaticContact NE2-NE2 3.34Å; H215-H219 PolarHBondContact NE2-NE2 3.31Å; Y216-H219 PolarHBondContact O-N 2.92Å; R217-H219 VanDerWaalsContact C-N 3.33Å
220T75.5Confident78.4Confident76 Ų7662.2 Ų62.247%0.46633%0.332SS..Hα-helixtrans-81.7-10.5176.663.50000114.2Y216 E222Y216-T220 PolarHBondContact O-N 3.06Å; T220-E222 PolarHBondContact O-N 3.26Å; T220-E222 VanDerWaalsContact O-N 3.12Å
221G69.8Low78.5Confident48 Ų4866.6 Ų66.650%0.49535%0.35SS..  trans67.47.8177.200000115.6R217 K223R217-G221 PolarHBondContact O-N 3.04Å; R217-G221 VanDerWaalsContact O-N 3.13Å; G221-K223 PolarHBondContact O-N 3.3Å
222E68.9Low78.3Confident84 Ų8470.8 Ų70.839%0.39337%0.367SS..  trans-69.290.2-169.5-68.6-173117.900113.9T220 K224T220-E222 PolarHBondContact O-N 3.26Å; T220-E222 VanDerWaalsContact O-N 3.12Å; E222-K224 HydrophobicContact CB-CG 4.18Å; E222-K224 PolarHBondContact O-N 3.32Å; E222-K224 VanDerWaalsContact O-N 3.07Å; E222-K224 WeakPolarHBondContact OE1-CE 3.45Å; E222-K224 IonicContact OE1-NZ 2.78Å; E222-K224 PolarHBondContact OE1-NZ 2.99Å; E222-K224 WeakPolarHBondContact OE2-CE 3.03Å; E222-K224 IonicContact OE2-NZ 2.85Å; E222-K224 PolarHBondContact OE2-NZ 2.75Å
223K73.1Confident78.2Confident118 Ų11877.6 Ų77.651%0.51339%0.392SS..  trans-81.878.3173.8-61.1172.4-175.3175.70111.1G221 R233 F234G221-K223 PolarHBondContact O-N 3.3Å; K223-R233 HydrophobicContact CB-CB 3.71Å; K223-R233 HydrophobicContact CD-CB 4.3Å; K223-R233 PolarHBondContact O-NE 3.25Å; K223-R233 PolarHBondContact O-NH2 3.07Å; K223-F234 CarbonylContact C-O 3.56Å; K223-F234 WeakPolarHBondContact CA-O 3.17Å
224K76.8Confident78Confident112 Ų11277.4 Ų77.449%0.48738%0.381SS..  trans-75.3-23.2-173.9-58.2-164.8-178.9-172.40115.1E222 F234E222-K224 HydrophobicContact CB-CG 4.18Å; E222-K224 PolarHBondContact O-N 3.32Å; E222-K224 VanDerWaalsContact O-N 3.07Å; E222-K224 WeakPolarHBondContact OE1-CE 3.45Å; E222-K224 IonicContact OE1-NZ 2.78Å; E222-K224 PolarHBondContact OE1-NZ 2.99Å; E222-K224 WeakPolarHBondContact OE2-CE 3.03Å; E222-K224 IonicContact OE2-NZ 2.85Å; E222-K224 PolarHBondContact OE2-NZ 2.75Å; K224-F234 PolarHBondContact N-O 3.28Å
225F78.1Confident78Confident27 Ų2774.9 Ų74.912%0.11837%0.374CS..EExtended strand (participates in β ladder)trans-107.6110.1-172.8-51.5-73.7000111.4L71 R233 F234 R236 L240L71-F225 HydrophobicContact CD2-CB 4.35Å; L71-F225 HydrophobicContact CD2-CD1 3.29Å; L71-F225 HydrophobicContact CD2-CE1 3.79Å; L71-F225 HydrophobicContact CD2-CG 4.05Å; F225-R233 CarbonylContact O-C 3.56Å; F225-R233 WeakPolarHBondContact O-CA 3.3Å; F225-F234 PolarHBondContact N-O 3.44Å; F225-F234 PolarHBondContact O-N 2.78Å; F225-R236 VanDerWaalsContact CD2-C 3.43Å; F225-L240 HydrophobicContact CB-CB 4.45Å; F225-L240 HydrophobicContact CB-CD2 4.05Å
226S80.9Confident77.7Confident56 Ų5676.7 Ų76.739%0.39238%0.38SS..EExtended strand (participates in β ladder)trans-91149174.946.30000112.2L240S226-L240 VanDerWaalsContact O-CD2 3.24Å; S226-L240 WeakPolarHBondContact O-CD2 3.48Å
227C81.6Confident77.7Confident2 Ų276.5 Ų76.51%0.01439%0.387CS..  trans-82.1126168.3-174.50000110.7I229 E231 K232 F234 L240 H247C227-I229 PolarHBondContact O-N 2.93Å; C227-E231 WeakPolarHBondContact O-CA 3.28Å; C227-E231 PolarHBondContact O-N 3Å; C227-K232 PolarHBondContact N-O 3.09Å; C227-F234 HydrophobicContact CB-CE2 4.38Å; C227-L240 HydrophobicContact CB-CD1 3.63Å; C227-H247 VanDerWaalsContact SG-CD2 3.57Å
228P78.3Confident77.8Confident92 Ų9274.1 Ų74.160%0.59738%0.382SS*.THydrogen-bonded Turntrans-72.4-8.8179.528.8-34.7000114.2I67I67-P228 HydrophobicContact CD1-CG 4.05Å; I67-P228 HydrophobicContact CG1-CG 3.97Å
229I78.5Confident78.2Confident64 Ų6474 Ų7433%0.32838%0.376SS..THydrogen-bonded Turntrans-99.4-32.3-175.7-59.8171.1000112.1V63 C227 H247V63-I229 HydrophobicContact CG1-CD1 4.31Å; C227-I229 PolarHBondContact O-N 2.93Å; I229-H247 HydrophobicContact CB-CB 4.48Å; I229-H247 HydrophobicContact CD1-CB 3.58Å; I229-H247 HydrophobicContact CG2-CB 4.12Å
230C81.8Confident78.5Confident47 Ų4771.6 Ų71.632%0.31837%0.365SS..THydrogen-bonded Turntrans-144.321.6179.880.60000114K232 H243 H247C230-K232 PolarHBondContact O-N 3.35Å; C230-H243 PolarHBondContact SG-NE2 3.22Å; C230-H247 VanDerWaalsContact SG-CE1 3.51Å; C230-H247 PolarHBondContact SG-NE2 3.24Å
231E79.1Confident79Confident160 Ų16069 Ų6975%0.74835%0.35SS*.  trans58.2-7.2173.2-56.4-168.7162.100117.9C227 R233C227-E231 WeakPolarHBondContact O-CA 3.28Å; C227-E231 PolarHBondContact O-N 3Å; E231-R233 WeakPolarHBondContact O-CG 3.36Å; E231-R233 PolarHBondContact O-N 3.2Å
232K78.3Confident79.7Confident135 Ų13573.7 Ų73.759%0.58736%0.356SS*.  trans-51.7125.9179.7-73.3-179.4-177.2-1790111C227 C230 F234C227-K232 PolarHBondContact N-O 3.09Å; C230-K232 PolarHBondContact O-N 3.35Å; K232-F234 HydrophobicContact CB-CE2 3.96Å; K232-F234 HydrophobicContact CB-CZ 4.15Å; K232-F234 VanDerWaalsContact O-CD2 3.29Å; K232-F234 WeakPolarHBondContact O-CD2 3.29Å; K232-F234 WeakPolarHBondContact O-CE2 3.47Å
233R80.8Confident80.5Confident162 Ų16271.2 Ų71.261%0.61135%0.345SS*.EExtended strand (participates in β ladder)trans-99.5130.2-172.7-56.4-177.662.6152.60.8111.7K223 F225 E231K223-R233 HydrophobicContact CB-CB 3.71Å; K223-R233 HydrophobicContact CD-CB 4.3Å; K223-R233 PolarHBondContact O-NE 3.25Å; K223-R233 PolarHBondContact O-NH2 3.07Å; F225-R233 CarbonylContact O-C 3.56Å; F225-R233 WeakPolarHBondContact O-CA 3.3Å; E231-R233 WeakPolarHBondContact O-CG 3.36Å; E231-R233 PolarHBondContact O-N 3.2Å
234F79.5Confident80.9Confident45 Ų4565.7 Ų65.720%0.19732%0.321CS..EExtended strand (participates in β ladder)trans-116.4148-177.5-59.7-88.2000111K223 K224 F225 C227 K232 R236 H239 L240 H243K223-F234 CarbonylContact C-O 3.56Å; K223-F234 WeakPolarHBondContact CA-O 3.17Å; K224-F234 PolarHBondContact N-O 3.28Å; F225-F234 PolarHBondContact N-O 3.44Å; F225-F234 PolarHBondContact O-N 2.78Å; C227-F234 HydrophobicContact CB-CE2 4.38Å; K232-F234 HydrophobicContact CB-CE2 3.96Å; K232-F234 HydrophobicContact CB-CZ 4.15Å; K232-F234 VanDerWaalsContact O-CD2 3.29Å; K232-F234 WeakPolarHBondContact O-CD2 3.29Å; K232-F234 WeakPolarHBondContact O-CE2 3.47Å; F234-R236 VanDerWaalsContact C-N 3.28Å; F234-H239 HydrophobicContact CB-CB 4.42Å; F234-H239 HydrophobicContact CD1-CB 3.87Å; F234-H239 HydrophobicContact CG-CB 4.4Å; F234-L240 HydrophobicContact CB-CB 4.46Å; F234-L240 HydrophobicContact CD2-CB 3.98Å; F234-L240 HydrophobicContact CD2-CD1 4.02Å; F234-L240 HydrophobicContact CE2-CD1 4.1Å; F234-L240 HydrophobicContact CG-CB 4.34Å; F234-H243 HydrophobicContact CE1-CB 4.18Å; F234-H243 HydrophobicContact CE2-CB 4.12Å; F234-H243 AromaticContact CE2-CD2 3.36Å; F234-H243 WeakPolarHBondContact CE2-CD2 3.43Å; F234-H243 AromaticContact CE2-CG 3.85Å; F234-H243 HydrophobicContact CZ-CB 3.63Å; F234-H243 AromaticContact CZ-CD2 3.37Å; F234-H243 WeakPolarHBondContact CZ-CD2 3.16Å; F234-H243 AromaticContact CZ-CG 3.39Å; F234-H243 AromaticContact CZ-NE2 3.96Å
235M77.8Confident81.2Confident37 Ų3767.2 Ų67.218%0.18232%0.323CS..SBendtrans-79.1-12.1173.4-166.3-167.978.900112.7R214 R217 T218R214-M235 HydrophobicContact CG-CE 4.42Å; R214-M235 WeakPolarHBondContact O-CE 3.41Å; R217-M235 HydrophobicContact CB-CE 4.19Å; R217-M235 HydrophobicContact CB-CG 3.7Å; R217-M235 HydrophobicContact CB-SD 3.61Å; R217-M235 VanDerWaalsContact O-SD 3.38Å; T218-M235 HydrophobicContact CG2-CE 3.73Å; T218-M235 HydrophobicContact CG2-SD 3.63Å; T218-M235 PolarHBondContact N-SD 3.05Å
236R77.9Confident81.4Confident54 Ų5474.4 Ų74.420%0.20435%0.35CS..  trans-140.3135.8-171.5-69.6166.156.7171.1-2.6111.4R214 F225 F234 D238 H239 L240R214-R236 HydrophobicContact CG-CG 4.29Å; F225-R236 VanDerWaalsContact CD2-C 3.43Å; F234-R236 VanDerWaalsContact C-N 3.28Å; R236-D238 WeakPolarHBondContact CB-OD1 3.46Å; R236-D238 IonicContact CZ-OD1 3.79Å; R236-D238 VanDerWaalsContact CZ-OD1 3.23Å; R236-D238 IonicContact CZ-OD2 2.77Å; R236-D238 IonicContact NE-OD1 3.46Å; R236-D238 PolarHBondContact NE-OD1 3.3Å; R236-D238 IonicContact NE-OD2 2.73Å; R236-D238 IonicContact NH2-OD1 2.76Å; R236-D238 PolarHBondContact NH2-OD1 3.07Å; R236-D238 IonicContact NH2-OD2 2.93Å; R236-D238 PolarHBondContact NH2-OD2 2.97Å; R236-H239 HydrophobicContact CB-CB 4.24Å; R236-H239 PolarHBondContact NE-CE1 3.32Å; R236-H239 PolarHBondContact NE-NE2 3.3Å; R236-H239 PolarHBondContact NH1-CE1 2.88Å; R236-H239 PolarHBondContact NH1-NE2 2.86Å; R236-H239 PolarHBondContact NH2-CE1 3.5Å; R236-H239 VanDerWaalsContact NH2-CE1 3.32Å; R236-H239 PolarHBondContact O-N 3.15Å; R236-L240 PolarHBondContact O-N 2.91Å
237S80.8Confident81.2Confident53 Ų5373.3 Ų73.337%0.37134%0.338SS..Hα-helixtrans-60.9-42.6174.849.50000112.3H239 L240 T241S237-H239 PolarHBondContact O-N 3.19Å; S237-L240 CarbonylContact O-C 3.58Å; S237-L240 WeakPolarHBondContact O-CA 3.5Å; S237-L240 WeakPolarHBondContact O-CB 3.35Å; S237-L240 PolarHBondContact O-N 2.96Å; S237-T241 PolarHBondContact O-N 3.04Å; S237-T241 PolarHBondContact O-OG1 3.5Å; S237-T241 VanDerWaalsContact O-OG1 3.09Å
238D81.8Confident80.7Confident55 Ų5574.2 Ų74.229%0.29435%0.346SS..Hα-helixtrans-63.4-27.6179.578.2-83.5000113.5R236 K242R236-D238 WeakPolarHBondContact CB-OD1 3.46Å; R236-D238 IonicContact CZ-OD1 3.79Å; R236-D238 VanDerWaalsContact CZ-OD1 3.23Å; R236-D238 IonicContact CZ-OD2 2.77Å; R236-D238 IonicContact NE-OD1 3.46Å; R236-D238 PolarHBondContact NE-OD1 3.3Å; R236-D238 IonicContact NE-OD2 2.73Å; R236-D238 IonicContact NH2-OD1 2.76Å; R236-D238 PolarHBondContact NH2-OD1 3.07Å; R236-D238 IonicContact NH2-OD2 2.93Å; R236-D238 PolarHBondContact NH2-OD2 2.97Å; D238-K242 WeakPolarHBondContact O-CB 3.47Å; D238-K242 VanDerWaalsContact O-CG 3.29Å; D238-K242 WeakPolarHBondContact O-CG 3.17Å; D238-K242 PolarHBondContact O-N 3.37Å; D238-K242 VanDerWaalsContact O-N 3.12Å
239H84.1Confident80.2Confident74 Ų7475.9 Ų75.934%0.34335%0.35SS..Hα-helixtrans-74.8-40.5173-67.7-3.1000111.2F234 R236 S237 K242 H243F234-H239 HydrophobicContact CB-CB 4.42Å; F234-H239 HydrophobicContact CD1-CB 3.87Å; F234-H239 HydrophobicContact CG-CB 4.4Å; R236-H239 HydrophobicContact CB-CB 4.24Å; R236-H239 PolarHBondContact NE-CE1 3.32Å; R236-H239 PolarHBondContact NE-NE2 3.3Å; R236-H239 PolarHBondContact NH1-CE1 2.88Å; R236-H239 PolarHBondContact NH1-NE2 2.86Å; R236-H239 PolarHBondContact NH2-CE1 3.5Å; R236-H239 VanDerWaalsContact NH2-CE1 3.32Å; R236-H239 PolarHBondContact O-N 3.15Å; S237-H239 PolarHBondContact O-N 3.19Å; H239-K242 PolarHBondContact O-N 3.14Å; H239-H243 VanDerWaalsContact O-CB 3.29Å; H239-H243 WeakPolarHBondContact O-CB 3.32Å; H239-H243 PolarHBondContact O-N 2.93Å
240L85.9Confident79.5Confident3 Ų381.1 Ų81.12%0.01637%0.371CS..Hα-helixtrans-61.3-46.3170.617458.3000111.4I67 L71 F225 S226 C227 F234 R236 S237 K242 H243 A244I67-L240 HydrophobicContact CG2-CD2 4.37Å; I67-L240 HydrophobicContact CG2-CG 4.39Å; L71-L240 HydrophobicContact CD1-CD2 4.42Å; L71-L240 HydrophobicContact CD2-CD2 4.06Å; L71-L240 HydrophobicContact CG-CD2 4.34Å; F225-L240 HydrophobicContact CB-CB 4.45Å; F225-L240 HydrophobicContact CB-CD2 4.05Å; S226-L240 VanDerWaalsContact O-CD2 3.24Å; S226-L240 WeakPolarHBondContact O-CD2 3.48Å; C227-L240 HydrophobicContact CB-CD1 3.63Å; F234-L240 HydrophobicContact CB-CB 4.46Å; F234-L240 HydrophobicContact CD2-CB 3.98Å; F234-L240 HydrophobicContact CD2-CD1 4.02Å; F234-L240 HydrophobicContact CE2-CD1 4.1Å; F234-L240 HydrophobicContact CG-CB 4.34Å; R236-L240 PolarHBondContact O-N 2.91Å; S237-L240 CarbonylContact O-C 3.58Å; S237-L240 WeakPolarHBondContact O-CA 3.5Å; S237-L240 WeakPolarHBondContact O-CB 3.35Å; S237-L240 PolarHBondContact O-N 2.96Å; L240-K242 VanDerWaalsContact C-N 3.35Å; L240-K242 PolarHBondContact O-N 3.4Å; L240-H243 PolarHBondContact O-N 3.07Å; L240-H243 VanDerWaalsContact O-N 3.16Å; L240-A244 VanDerWaalsContact O-CB 3.3Å; L240-A244 WeakPolarHBondContact O-CB 3.47Å; L240-A244 PolarHBondContact O-N 2.94Å
241T84.4Confident78.3Confident22 Ų2282.8 Ų82.814%0.13537%0.373CS..Hα-helixtrans-60.4-42.9178.7-480000111.8V64 L68 S237 A244 R245V64-T241 HydrophobicContact CG1-CG2 4.45Å; L68-T241 HydrophobicContact CD2-CG2 4.43Å; S237-T241 PolarHBondContact O-N 3.04Å; S237-T241 PolarHBondContact O-OG1 3.5Å; S237-T241 VanDerWaalsContact O-OG1 3.09Å; T241-A244 PolarHBondContact O-N 3.24Å; T241-R245 WeakPolarHBondContact O-CG 3.34Å; T241-R245 PolarHBondContact O-N 3.42Å
242K85.3Confident76.9Confident145 Ų14581.3 Ų81.363%0.6338%0.378SS*.Hα-helixtrans-65.1-38175.2-75.2176.6178.7-174.70112.5D238 H239 L240D238-K242 WeakPolarHBondContact O-CB 3.47Å; D238-K242 VanDerWaalsContact O-CG 3.29Å; D238-K242 WeakPolarHBondContact O-CG 3.17Å; D238-K242 PolarHBondContact O-N 3.37Å; D238-K242 VanDerWaalsContact O-N 3.12Å; H239-K242 PolarHBondContact O-N 3.14Å; L240-K242 VanDerWaalsContact C-N 3.35Å; L240-K242 PolarHBondContact O-N 3.4Å
243H85.4Confident75.8Confident33 Ų3378 Ų7815%0.15338%0.382CS..Hα-helixtrans-68.9-43.8175.6173.462.4000112.4C230 F234 H239 L240 R245 R246 H247C230-H243 PolarHBondContact SG-NE2 3.22Å; F234-H243 HydrophobicContact CE1-CB 4.18Å; F234-H243 HydrophobicContact CE2-CB 4.12Å; F234-H243 AromaticContact CE2-CD2 3.36Å; F234-H243 WeakPolarHBondContact CE2-CD2 3.43Å; F234-H243 AromaticContact CE2-CG 3.85Å; F234-H243 HydrophobicContact CZ-CB 3.63Å; F234-H243 AromaticContact CZ-CD2 3.37Å; F234-H243 WeakPolarHBondContact CZ-CD2 3.16Å; F234-H243 AromaticContact CZ-CG 3.39Å; F234-H243 AromaticContact CZ-NE2 3.96Å; H239-H243 VanDerWaalsContact O-CB 3.29Å; H239-H243 WeakPolarHBondContact O-CB 3.32Å; H239-H243 PolarHBondContact O-N 2.93Å; L240-H243 PolarHBondContact O-N 3.07Å; L240-H243 VanDerWaalsContact O-N 3.16Å; H243-R245 VanDerWaalsContact C-N 3.31Å; H243-R245 PolarHBondContact O-N 2.88Å; H243-R246 VanDerWaalsContact O-CB 3.28Å; H243-R246 WeakPolarHBondContact O-CB 3.49Å; H243-R246 PolarHBondContact O-N 3.35Å; H243-H247 AromaticContact CD2-NE2 3.83Å; H243-H247 AromaticContact CE1-CE1 3.94Å; H243-H247 AromaticContact CE1-NE2 3.3Å; H243-H247 PolarHBondContact CE1-NE2 3Å; H243-H247 VanDerWaalsContact CE1-NE2 3.3Å; H243-H247 AromaticContact NE2-CD2 3.8Å; H243-H247 AromaticContact NE2-NE2 3.04Å; H243-H247 PolarHBondContact NE2-NE2 3.44Å; H243-H247 PolarHBondContact O-N 2.86Å
244A82.9Confident74.2Confident1 Ų177 Ų771%0.00839%0.386CS..Hα-helixtrans-60.3-37.2178.500000112.7I67 L240 T241 R246 H247 A248I67-A244 HydrophobicContact CD1-CB 3.62Å; I67-A244 HydrophobicContact CG2-CB 4.44Å; L240-A244 VanDerWaalsContact O-CB 3.3Å; L240-A244 WeakPolarHBondContact O-CB 3.47Å; L240-A244 PolarHBondContact O-N 2.94Å; T241-A244 PolarHBondContact O-N 3.24Å; A244-R246 PolarHBondContact O-N 2.76Å; A244-H247 WeakPolarHBondContact O-CB 3.48Å; A244-H247 PolarHBondContact O-N 3.21Å; A244-H247 VanDerWaalsContact O-N 3.08Å; A244-A248 PolarHBondContact O-N 3.17Å
245R82.9Confident72.9Confident145 Ų14582.6 Ų82.655%0.54742%0.417SS..Hα-helixtrans-58.8-33172-72174.8-175.7-159.3-0.7112.9V64 T241 H243 H247 A248 N249V64-R245 HydrophobicContact CG2-CG 4.09Å; T241-R245 WeakPolarHBondContact O-CG 3.34Å; T241-R245 PolarHBondContact O-N 3.42Å; H243-R245 VanDerWaalsContact C-N 3.31Å; H243-R245 PolarHBondContact O-N 2.88Å; R245-H247 VanDerWaalsContact C-N 3.33Å; R245-H247 PolarHBondContact O-N 3.21Å; R245-A248 PolarHBondContact O-N 3.19Å; R245-N249 VanDerWaalsContact O-CG 3.3Å; R245-N249 PolarHBondContact O-N 3.41Å; R245-N249 VanDerWaalsContact O-N 3.11Å; R245-N249 PolarHBondContact O-OD1 2.93Å; R245-N249 VanDerWaalsContact O-OD1 3.1Å
246R81.9Confident71.4Confident177 Ų17788 Ų8867%0.66844%0.442SS*.Hα-helixtrans-66.1-36.9175.1-169.2180-65.6-173.6-2.4111.7H243 A244 F250H243-R246 VanDerWaalsContact O-CB 3.28Å; H243-R246 WeakPolarHBondContact O-CB 3.49Å; H243-R246 PolarHBondContact O-N 3.35Å; A244-R246 PolarHBondContact O-N 2.76Å; R246-F250 PolarHBondContact O-N 2.89Å
247H77.3Confident69.6Low33 Ų3396.7 Ų96.715%0.15348%0.475CS..Hα-helixtrans-68.7-43.7172.7-64.9-56.7000111.7C227 I229 C230 H243 A244 R245 N249 F250 H251C227-H247 VanDerWaalsContact SG-CD2 3.57Å; I229-H247 HydrophobicContact CB-CB 4.48Å; I229-H247 HydrophobicContact CD1-CB 3.58Å; I229-H247 HydrophobicContact CG2-CB 4.12Å; C230-H247 VanDerWaalsContact SG-CE1 3.51Å; C230-H247 PolarHBondContact SG-NE2 3.24Å; H243-H247 AromaticContact CD2-NE2 3.83Å; H243-H247 AromaticContact CE1-CE1 3.94Å; H243-H247 AromaticContact CE1-NE2 3.3Å; H243-H247 PolarHBondContact CE1-NE2 3Å; H243-H247 VanDerWaalsContact CE1-NE2 3.3Å; H243-H247 AromaticContact NE2-CD2 3.8Å; H243-H247 AromaticContact NE2-NE2 3.04Å; H243-H247 PolarHBondContact NE2-NE2 3.44Å; H243-H247 PolarHBondContact O-N 2.86Å; A244-H247 WeakPolarHBondContact O-CB 3.48Å; A244-H247 PolarHBondContact O-N 3.21Å; A244-H247 VanDerWaalsContact O-N 3.08Å; R245-H247 VanDerWaalsContact C-N 3.33Å; R245-H247 PolarHBondContact O-N 3.21Å; H247-N249 PolarHBondContact O-N 3.38Å; H247-F250 CarbonylContact O-C 3.58Å; H247-F250 PolarHBondContact O-N 3.44Å; H247-H251 WeakPolarHBondContact O-CA 3.1Å; H247-H251 WeakPolarHBondContact O-CB 3.39Å; H247-H251 PolarHBondContact O-N 3.01Å
248A71Confident68.3Low21 Ų21105.8 Ų105.817%0.17450%0.501CS..Hα-helixtrans-56.6-34.4176.900000112.7S60 A244 R245S60-A248 WeakPolarHBondContact OG-CB 3.49Å; A244-A248 PolarHBondContact O-N 3.17Å; R245-A248 PolarHBondContact O-N 3.19Å
249N67.2Low66.3Low128 Ų128106.8 Ų106.868%0.68452%0.524SS*.THydrogen-bonded Turntrans-76.4-16.5175.7-66.713.7000114.5R245 H247R245-N249 VanDerWaalsContact O-CG 3.3Å; R245-N249 PolarHBondContact O-N 3.41Å; R245-N249 VanDerWaalsContact O-N 3.11Å; R245-N249 PolarHBondContact O-OD1 2.93Å; R245-N249 VanDerWaalsContact O-OD1 3.1Å; H247-N249 PolarHBondContact O-N 3.38Å
250F63.4Low64.5Low174 Ų174107.6 Ų107.676%0.76355%0.552SS**THydrogen-bonded Turntrans-113.7-15.7-175.8-100.2-91.1000114.2R246 H247R246-F250 PolarHBondContact O-N 2.89Å; H247-F250 CarbonylContact O-C 3.58Å; H247-F250 PolarHBondContact O-N 3.44Å
251H55.8Low62.1Low81 Ų81110.6 Ų110.638%0.37558%0.584SS.*  trans-138.564.4-159.1-162.9-96.7000113.1H247 G253 M254H247-H251 WeakPolarHBondContact O-CA 3.1Å; H247-H251 WeakPolarHBondContact O-CB 3.39Å; H247-H251 PolarHBondContact O-N 3.01Å; H251-G253 PolarHBondContact O-N 2.85Å; H251-M254 PolarHBondContact CE1-O 3.16Å
252P49.8Very low60.1Low130 Ų130115.9 Ų115.984%0.84462%0.622SS**SBendtrans-76.86.6-178.533.7-37.7000114.5
253G55.3Low58.1Low65 Ų65120.4 Ų120.467%0.6764%0.635SS**SBendtrans-156.116-158.300000121.1H251H251-G253 PolarHBondContact O-N 2.85Å
254M47.3Very low56.3Low142 Ų142125.7 Ų125.770%0.767%0.67SS**  trans-126.888.1165.5-69.4-155.579.400113.5H251H251-M254 PolarHBondContact CE1-O 3.16Å
255L52.4Low54Low162 Ų162129.2 Ų129.285%0.84871%0.706SS**  trans-109.568.1161.3-124.6166000108.7
256Q46.8Very low51.7Low149 Ų149127.4 Ų127.470%0.69672%0.716SS**  trans-166.3111.9153.4-156.665.5-14.800113.9
257R40.2Very low50.2Low237 Ų237127.3 Ų127.389%0.89473%0.727SS**  -172114.3121-107.8176.5173.9-84.5-1.6112.4
258R52.6Low48.6Very low245 Ų245130 Ų13093%0.92575%0.75SS**  trans-77.1123.7164.4-177.8-176.7-178-142.54.8108.3
259G41Very low46.9Very low75 Ų75137.1 Ų137.177%0.77379%0.785SS**  trans-171.1129.2176.700000109.9
260G46.5Very low45.1Very low91 Ų91141.6 Ų141.694%0.93879%0.794SS**  trans-79.1152.9-173.200000113.4
261G34.2Very low44Very low67 Ų67138.9 Ų138.969%0.69180%0.797SS**  trans178.576177.400000112.9R263G261-R263 PolarHBondContact O-N 2.97Å
262S42.6Very low43.2Very low133 Ų133146.4 Ų146.493%0.9382%0.822SS**  trans-59.1103175.2-62.60000111.1
263R43.9Very low42.5Very low240 Ų240145 Ų14591%0.90682%0.815SS**  trans-118.3101.7171.4-71.9-171.2172.1-163-2.9109.7G261 G265G261-R263 PolarHBondContact O-N 2.97Å; R263-G265 PolarHBondContact O-N 3.06Å
264T46.4Very low41.4Very low144 Ų144148.5 Ų148.588%0.88382%0.818SS**  trans-69.780.5169.746.90000109.8S266T264-S266 PolarHBondContact O-N 3.41Å
265G35.1Very low40.8Very low74 Ų74146.6 Ų146.676%0.76383%0.826SS**  trans-59.8117.3171.800000110.2R263R263-G265 PolarHBondContact O-N 3.06Å
266S36Very low39.9Very low108 Ų108144.3 Ų144.376%0.75582%0.823SS**  trans-68.8161.5-174-163.30000112.8T264 S268T264-S266 PolarHBondContact O-N 3.41Å; S266-S268 PolarHBondContact O-N 2.64Å; S266-S268 VanDerWaalsContact O-N 3.09Å
267L49.6Very low39.2Very low174 Ų174142.6 Ų142.691%0.91183%0.828SS**SBendtrans-80.482.3177.1-81166.3000111.5
268S43.5Very low39.1Very low90 Ų90137.2 Ų137.263%0.62982%0.823SS**  trans-155.895.8166.855.90000111.1S266S266-S268 PolarHBondContact O-N 2.64Å; S266-S268 VanDerWaalsContact O-N 3.09Å
269D34.7Very low38.2Very low171 Ų171131.9 Ų131.991%0.91482%0.818SS**  trans178.586.5147.8-96-25.3000111.1
270Y30.8Very low38Very low221 Ų221135.9 Ų135.987%0.86782%0.82SS**  trans-154.763.2155.8-166.1-102.8000110.7
271S38.7Very low37.7Very low117 Ų117136.4 Ų136.482%0.81881%0.809SS**  trans-136.657.6177.4-670000112.3
272R39.5Very low38.1Very low239 Ų239139.5 Ų139.590%0.90282%0.817SS**  trans-170111.8154.5-113164174160.7-2.7112
273S35.3Very low38.1Very low100 Ų100137.9 Ų137.970%0.69981%0.812SS**SBend-165.4116.2125.9-122.10000109.1
274D32.9Very low37.9Very low139 Ų139132.2 Ų132.274%0.74381%0.809SS**  trans59.887.6145.7-47.5-61.1000118.7
275A34Very low37.5Very low103 Ų103130.5 Ų130.585%0.85180%0.803SS**  trans-79119.914800000109.2
276S32.7Very low38.5Very low113 Ų113136.5 Ų136.579%0.7983%0.829SS**  trans-155.989.2163.9-79.10000109.5
277S33.2Very low38.7Very low114 Ų114138 Ų13880%0.79783%0.832SS**  trans-122116.9165.7-65.80000107T279S277-T279 PolarHBondContact O-N 3.4Å
278P38.5Very low38.1Very low123 Ų123136.1 Ų136.180%0.79983%0.828SS**  trans-69.1132.1-179.928-33.4000110.3
279T33.1Very low37.8Very low133 Ų133138.6 Ų138.682%0.81684%0.839SS**  trans-75.3125.7171.445.20000110.4S277S277-T279 PolarHBondContact O-N 3.4Å
280I37.7Very low38Very low160 Ų160136.7 Ų136.782%0.82184%0.835SS**  trans-113.9111.4163.1-59.6177.3000106.7
281S40.1Very low38.4Very low102 Ų102131.4 Ų131.471%0.71383%0.833SS**  trans-84.1146.1173.6-60.80000110.3
282P42.4Very low38.4Very low131 Ų131132.4 Ų132.485%0.85183%0.834SS**  trans-72.5141.9172.331.1-34000110.9
283A41.3Very low38.3Very low100 Ų100124.8 Ų124.883%0.82683%0.829SS**  trans-104.2137.6163.100000108.9
284S41.3Very low38.5Very low120 Ų120126.7 Ų126.784%0.83984%0.839SS**  trans-78.1150.8-179.8-56.10000112.3
285S38.2Very low39Very low108 Ų108125.7 Ų125.776%0.75585%0.847SS**  trans-60.7161.8161.7-46.70000111.4
286P55.7Low39.5Very low201 Ų201127.7 Ų127.7100%1.30585%0.847SS**  -101.1097.329-35.8000113

Retrieved 286 of 286 residues in 106.8 ms (Link to these results)