A0A077YY68_TRITR Loading...

Capicua protein

AlphaFold DB , UniProt , Accession A0A077YY68, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,538 aa.

>A0A077YY68_TRITR|A0A077YY68
MLRSAGQIWSLFLVAYRACLLGFCNPHALLHKLDVELRSAKSSSSESLRDDDCIVHQNDVASHSLSLQDWKGTRVLAKPPDRDDYFCGCIKAVRSNNTLVVEFDEAAGTETLVVYHDVLGSCPFEIVADQAPVPDLVKIGMVVCARRNADQPNFELAQVVGVSMMPVSFQLKFMPNTAPRHAASVRACASESDVVFIWVSRANIRLLRPPWFEELSCETQQRSKMPVNFSPFLHSAGLPGQHLAINACGSSSFVNNISPSPDCEVDFPMTCQPEGAQCRTSCEDQEEGSRRSSCDCASQEENNSDNSGYGNVSPQSPASPDGNFLHTSAAATPASTDSQSTGGGERCDGTEAIGGGVDNSLLAFKKKHQKGDVMLTPGGIRKKFNGKQWRRLCSKEGCNKESQRRGYCSRHLSLNGKAYSLDACCHNASNMLLLSSTDFNFKDNNGTSVDPIEARLSAAMDARFETSDELGHQKPFELAMRSRVDGMAPITPSAADVLQARGYRAASIQQSLNGDKRGFYVRSPVSVQDLACQREGLLSMETDLAGHPNGASSMNCQAQSGQVSQHDGGSAQVRRTKTKHESLSQIVFSPGYDEPSTSVYSTAAQQAGSCEEEDEDDDDVFNPAAAEMDQTSIDGDSSRSLGKRRAHSLGALPKELSDIKSPKKGVRSKEHIRRPMNAFMIFSKRHRPLVHQRHPNQDNRTVSKILGEWWYALGPEQKHEYHNLACQVKEAHFKAHPNWKWCSKEKKHVLKKSEGDSNDESSSTFCFDPSGSAESTTERDIDPVNADGPIGYSSEEKTDLFHGCNANAETQGSGLISPSKVSSGTSCKVRSYLDPSMSAVGGVQPDPAIHHGVESVALRQPSAKLSASAFYSQLQSMSNAFPIGPHMLQSLDLSRFGMLAHSDSATADATLGSDLLHSPILMHSSSVNFPYPVSTYASLPRQLSQTLQAGASPGGLAFISETASAGLLPAVRSLNQSVLFSPVGLDMLQRNATRFDLNPSSACVPPQGPLLSPLVTTSEGELKYLPAFLSPRATSSYGSPLPGSAFSAKSSRFMPVSAEVGPDGGKQPSKAPIVAMKAEVSSPNFERPQASLDSVTFLFSSNIGTQQSKRAMGVVDASLPVGDSDGRKPSEQPPFDSARSPAATVGGSSSDSVVKCSANTTETSSTPSAACSGGQSAESAQPSPIRFVLAPTPAQLGIAPGQTKRGSIANKDKQKASADNDATQCGTSTSSQEKSCNAEPPCRGDSAECAKAVFKRQDSNMDRVLSVVNFGEKFAQLPEFDPDEREGASVPSTPLQIVKTYFDKQKQGKRAQDERFKKGLCFKNCQFCSGGAGPSSESEQTAQTSPSVSKSAPKTPNRRTGNFFFGANFSLDTLVDPALRRSGQLLNQNNESESPSLCSPMTPLDGWNRSNSRKLLDERRRLVMELFEKEGMFPSAQATSQFQMIHSEVFPAKQILQLKIREVRQKVMASVQSPATPSLGGTCPAPATPATPLATPVSVSEASPTSDRCFTPPSPNDALPSEKFAIAASQGPPAVTTA
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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
1M47.2Very low68.5Low217 Ų217124.4 Ų124.4100%1.06964%0.639SS**  0-57.90-72.7-174.2173.300114R3 S4 A5M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 3.13Å; M1-S4 WeakPolarHBondContact O-CB 3.48Å; M1-S4 PolarHBondContact O-N 3.3Å; M1-A5 PolarHBondContact O-N 3.18Å
2L48Very low69.6Low158 Ų158126.6 Ų126.683%0.82764%0.641SS**Hα-helixtrans-48.7-40.3-171.1-84.572.1000116S4 A5 G6L2-S4 VanDerWaalsContact C-N 3.31Å; L2-S4 PolarHBondContact O-N 3.05Å; L2-A5 WeakPolarHBondContact O-CB 3.33Å; L2-A5 PolarHBondContact O-N 3.21Å; L2-G6 PolarHBondContact O-N 3.35Å; L2-G6 VanDerWaalsContact O-N 3.13Å
3R55.4Low70.6Confident232 Ų232124.5 Ų124.588%0.87563%0.631SS**Hα-helixtrans-59.1-37.5176.5-70.2-172.6179.2-175.50.1113.5M1 G6 Q7M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 3.13Å; R3-G6 PolarHBondContact O-N 3.17Å; R3-Q7 PolarHBondContact O-N 3.37Å
4S63.8Low71.5Confident61 Ų61122.2 Ų122.243%0.42763%0.626SS.*Hα-helixtrans-71-37.7177.3172.30000111.7M1 L2 G6 Q7 I8M1-S4 WeakPolarHBondContact O-CB 3.48Å; M1-S4 PolarHBondContact O-N 3.3Å; L2-S4 VanDerWaalsContact C-N 3.31Å; L2-S4 PolarHBondContact O-N 3.05Å; S4-G6 VanDerWaalsContact C-N 3.29Å; S4-G6 PolarHBondContact O-N 3.37Å; S4-Q7 PolarHBondContact O-N 3.38Å; S4-I8 WeakPolarHBondContact O-CG1 3.47Å; S4-I8 PolarHBondContact O-N 2.9Å
5A69.5Low72Confident58 Ų58117 Ų11748%0.47961%0.609SS.*Hα-helixtrans-59.7-40172.500000111.7M1 L2 I8 W9M1-A5 PolarHBondContact O-N 3.18Å; L2-A5 WeakPolarHBondContact O-CB 3.33Å; L2-A5 PolarHBondContact O-N 3.21Å; A5-I8 PolarHBondContact O-N 3.26Å; A5-W9 PolarHBondContact O-N 3.18Å
6G76.6Confident72.6Confident44 Ų44118.4 Ų118.445%0.45461%0.605SS.*Hα-helixtrans-62.8-40.7173.800000113.7L2 R3 S4 W9 S10L2-G6 PolarHBondContact O-N 3.35Å; L2-G6 VanDerWaalsContact O-N 3.13Å; R3-G6 PolarHBondContact O-N 3.17Å; S4-G6 VanDerWaalsContact C-N 3.29Å; S4-G6 PolarHBondContact O-N 3.37Å; G6-W9 PolarHBondContact O-N 3.45Å; G6-S10 WeakPolarHBondContact O-CB 3.43Å; G6-S10 PolarHBondContact O-N 2.95Å
7Q75.3Confident73.1Confident131 Ų131122.3 Ų122.361%0.61261%0.61SS**Hα-helixtrans-64.7-43.5174.7-71.8172.9-56.300112R3 S4 W9 S10 L11R3-Q7 PolarHBondContact O-N 3.37Å; S4-Q7 PolarHBondContact O-N 3.38Å; Q7-W9 VanDerWaalsContact C-N 3.33Å; Q7-W9 PolarHBondContact O-N 2.96Å; Q7-S10 PolarHBondContact O-N 3.39Å; Q7-L11 WeakPolarHBondContact O-CG 3.43Å; Q7-L11 PolarHBondContact O-N 2.92Å
8I80.4Confident73.3Confident102 Ų102117.1 Ų117.152%0.52359%0.589SS.*Hα-helixtrans-60.8-42.8175.7-66.4163.6000110.6S4 A5 L11 F12S4-I8 WeakPolarHBondContact O-CG1 3.47Å; S4-I8 PolarHBondContact O-N 2.9Å; A5-I8 PolarHBondContact O-N 3.26Å; I8-L11 PolarHBondContact O-N 3.4Å; I8-F12 WeakPolarHBondContact O-CB 3.41Å; I8-F12 PolarHBondContact O-N 2.9Å
9W75.1Confident73.4Confident190 Ų190116.2 Ų116.272%0.7259%0.594SS**Hα-helixtrans-66.2-38.4177.1-129.956.3000112.7A5 G6 Q7 F12 L13A5-W9 PolarHBondContact O-N 3.18Å; G6-W9 PolarHBondContact O-N 3.45Å; Q7-W9 VanDerWaalsContact C-N 3.33Å; Q7-W9 PolarHBondContact O-N 2.96Å; W9-F12 PolarHBondContact O-N 2.97Å; W9-L13 HydrophobicContact CE3-CD1 4.14Å; W9-L13 WeakPolarHBondContact O-CG 3.35Å; W9-L13 PolarHBondContact O-N 3.42Å
10S79.6Confident73.6Confident70 Ų70116.3 Ų116.349%0.4960%0.595SS.*Hα-helixtrans-63.8-46.4174.2-169.80000111.8G6 Q7 F12 L13 V14G6-S10 WeakPolarHBondContact O-CB 3.43Å; G6-S10 PolarHBondContact O-N 2.95Å; Q7-S10 PolarHBondContact O-N 3.39Å; S10-F12 VanDerWaalsContact C-N 3.31Å; S10-F12 PolarHBondContact O-N 3.35Å; S10-L13 PolarHBondContact O-N 2.93Å; S10-V14 WeakPolarHBondContact O-CG2 3.4Å; S10-V14 PolarHBondContact O-N 3.23Å
11L83Confident73.9Confident105 Ų105116.2 Ų116.255%0.5560%0.596SS.*Hα-helixtrans-60.9-39.1174.3-72.3170.2000112Q7 I8 V14 A15Q7-L11 WeakPolarHBondContact O-CG 3.43Å; Q7-L11 PolarHBondContact O-N 2.92Å; I8-L11 PolarHBondContact O-N 3.4Å; L11-V14 PolarHBondContact O-N 3.4Å; L11-A15 WeakPolarHBondContact O-CB 3.37Å; L11-A15 PolarHBondContact O-N 3.29Å
12F81.3Confident74.7Confident151 Ų151109.1 Ų109.166%0.66258%0.578SS**Hα-helixtrans-65.7-40.6176.1-157.3-87.4000112I8 W9 S10 A15 Y16I8-F12 WeakPolarHBondContact O-CB 3.41Å; I8-F12 PolarHBondContact O-N 2.9Å; W9-F12 PolarHBondContact O-N 2.97Å; S10-F12 VanDerWaalsContact C-N 3.31Å; S10-F12 PolarHBondContact O-N 3.35Å; F12-A15 PolarHBondContact O-N 3.2Å; F12-Y16 VanDerWaalsContact O-CB 3.24Å; F12-Y16 WeakPolarHBondContact O-CB 3.41Å; F12-Y16 PolarHBondContact O-N 2.99Å
13L83Confident75.3Confident99 Ų99110 Ų11052%0.51858%0.575SS.*Hα-helixtrans-65.7-40.1174.2-77.3165.5000112.4W9 S10 R17W9-L13 HydrophobicContact CE3-CD1 4.14Å; W9-L13 WeakPolarHBondContact O-CG 3.35Å; W9-L13 PolarHBondContact O-N 3.42Å; S10-L13 PolarHBondContact O-N 2.93Å; L13-R17 VanDerWaalsContact O-CB 3.27Å; L13-R17 WeakPolarHBondContact O-CB 3.39Å; L13-R17 PolarHBondContact O-N 3.39Å
14V82.7Confident75Confident93 Ų93102.6 Ų102.656%0.56456%0.558SS**Hα-helixtrans-64.9-46.2174.4170.90000110.9S10 L11 R17 A18S10-V14 WeakPolarHBondContact O-CG2 3.4Å; S10-V14 PolarHBondContact O-N 3.23Å; L11-V14 PolarHBondContact O-N 3.4Å; V14-R17 PolarHBondContact O-N 2.94Å; V14-A18 WeakPolarHBondContact O-CB 3.27Å; V14-A18 PolarHBondContact O-N 2.85Å
15A79.2Confident74.8Confident44 Ų44105.2 Ų105.236%0.36457%0.568SS.*Hα-helixtrans-63-42.7177.100000112.3L11 F12 A18 C19L11-A15 WeakPolarHBondContact O-CB 3.37Å; L11-A15 PolarHBondContact O-N 3.29Å; F12-A15 PolarHBondContact O-N 3.2Å; A15-A18 PolarHBondContact O-N 3.46Å; A15-C19 WeakPolarHBondContact O-CB 3.41Å; A15-C19 PolarHBondContact O-N 3.4Å
16Y81.4Confident74.4Confident140 Ų140107 Ų10755%0.54957%0.574SS.*Hα-helixtrans-62.3-42.3175-176.2-109.4000111.8F12 C19 L20F12-Y16 VanDerWaalsContact O-CB 3.24Å; F12-Y16 WeakPolarHBondContact O-CB 3.41Å; F12-Y16 PolarHBondContact O-N 2.99Å; Y16-C19 PolarHBondContact O-N 2.94Å; Y16-L20 HydrophobicContact CD1-CD1 3.86Å; Y16-L20 HydrophobicContact CE1-CD1 3.45Å; Y16-L20 VanDerWaalsContact CE1-CD1 3.45Å; Y16-L20 HydrophobicContact CE1-CG 4.27Å; Y16-L20 WeakPolarHBondContact O-CG 3.33Å; Y16-L20 PolarHBondContact O-N 3.3Å
17R80.5Confident73.6Confident184 Ų184112 Ų11269%0.69459%0.585SS**Hα-helixtrans-68.5-38.7177.1-163.2170.5-173.1163.70.3112.4L13 V14 C19 L20 L21L13-R17 VanDerWaalsContact O-CB 3.27Å; L13-R17 WeakPolarHBondContact O-CB 3.39Å; L13-R17 PolarHBondContact O-N 3.39Å; V14-R17 PolarHBondContact O-N 2.94Å; R17-C19 VanDerWaalsContact C-N 3.35Å; R17-L20 PolarHBondContact O-N 3.04Å; R17-L21 HydrophobicContact CG-CD1 4.33Å; R17-L21 VanDerWaalsContact O-CG 3.27Å; R17-L21 WeakPolarHBondContact O-CG 3.24Å; R17-L21 PolarHBondContact O-N 3.17Å; R17-L21 VanDerWaalsContact O-N 3.07Å
18A77.6Confident73Confident28 Ų28109.2 Ų109.223%0.23159%0.585CS.*Hα-helixtrans-65.7-36.8173.100000112.3V14 A15 L21 G22 F23V14-A18 WeakPolarHBondContact O-CB 3.27Å; V14-A18 PolarHBondContact O-N 2.85Å; A15-A18 PolarHBondContact O-N 3.46Å; A18-L21 PolarHBondContact O-N 3.09Å; A18-G22 PolarHBondContact O-N 2.87Å; A18-F23 PolarHBondContact O-N 2.87Å
19C75Confident71.9Confident100 Ų100108 Ų10868%0.67658%0.579SS**Hα-helixtrans-68-42.6174.8-166.40000112A15 Y16 R17 L21 G22A15-C19 WeakPolarHBondContact O-CB 3.41Å; A15-C19 PolarHBondContact O-N 3.4Å; Y16-C19 PolarHBondContact O-N 2.94Å; R17-C19 VanDerWaalsContact C-N 3.35Å; C19-L21 VanDerWaalsContact C-N 3.27Å; C19-L21 PolarHBondContact O-N 2.92Å; C19-G22 PolarHBondContact O-N 3.47Å; C19-G22 VanDerWaalsContact O-N 3.15Å
20L77.4Confident71.4Confident119 Ų119104.7 Ų104.762%0.62358%0.575SS**Hα-helixtrans-63.8-29.5174.5-78.8174.2000113.4Y16 R17Y16-L20 HydrophobicContact CD1-CD1 3.86Å; Y16-L20 HydrophobicContact CE1-CD1 3.45Å; Y16-L20 VanDerWaalsContact CE1-CD1 3.45Å; Y16-L20 HydrophobicContact CE1-CG 4.27Å; Y16-L20 WeakPolarHBondContact O-CG 3.33Å; Y16-L20 PolarHBondContact O-N 3.3Å; R17-L20 PolarHBondContact O-N 3.04Å
21L80.2Confident70.9Confident115 Ų115107.8 Ų107.860%0.60258%0.581SS**THydrogen-bonded Turntrans-87.9-1.7176.2-64.3169.9000113.2R17 A18 C19 F23R17-L21 HydrophobicContact CG-CD1 4.33Å; R17-L21 VanDerWaalsContact O-CG 3.27Å; R17-L21 WeakPolarHBondContact O-CG 3.24Å; R17-L21 PolarHBondContact O-N 3.17Å; R17-L21 VanDerWaalsContact O-N 3.07Å; A18-L21 PolarHBondContact O-N 3.09Å; C19-L21 VanDerWaalsContact C-N 3.27Å; C19-L21 PolarHBondContact O-N 2.92Å; L21-F23 VanDerWaalsContact C-N 3.33Å; L21-F23 HydrophobicContact CB-CD2 3.91Å; L21-F23 WeakPolarHBondContact O-CD2 3.27Å; L21-F23 PolarHBondContact O-N 3.35Å
22G63.1Low70.2Confident67 Ų67110.1 Ų110.169%0.69159%0.587SS**THydrogen-bonded Turntrans74.59.8172.700000116.5A18 C19A18-G22 PolarHBondContact O-N 2.87Å; C19-G22 PolarHBondContact O-N 3.47Å; C19-G22 VanDerWaalsContact O-N 3.15Å
23F60.6Low69.5Low176 Ų176107.2 Ų107.277%0.77258%0.578SS**  trans-90.52.5-165.6-87.7-76.2000116.8A18 L21A18-F23 PolarHBondContact O-N 2.87Å; L21-F23 VanDerWaalsContact C-N 3.33Å; L21-F23 HydrophobicContact CB-CD2 3.91Å; L21-F23 WeakPolarHBondContact O-CD2 3.27Å; L21-F23 PolarHBondContact O-N 3.35Å
24C49.8Very low68.8Low77 Ų77105.9 Ų105.952%0.5257%0.571SS.*  trans-140.9136.7-174.5-86.20000114.7L29C24-L29 HydrophobicContact CB-CD1 4.46Å
25N58.7Low68.2Low117 Ų117105.3 Ų105.363%0.62657%0.568SS**  trans-71.4119.4166.5179.7-22.7000109.3H27 A28N25-H27 PolarHBondContact O-N 2.91Å; N25-H27 VanDerWaalsContact O-N 3.14Å; N25-H27 WeakPolarHBondContact OD1-CB 3.44Å; N25-H27 PolarHBondContact OD1-N 3.39Å; N25-H27 VanDerWaalsContact OD1-N 3.09Å; N25-A28 PolarHBondContact O-N 3.44Å
26P61.3Low67.4Low96 Ų96109.1 Ų109.162%0.62358%0.578SS**Hα-helixtrans-64.5-22.3-172.425.6-35000113.8A28 L29 L30P26-A28 VanDerWaalsContact C-N 3.3Å; P26-A28 PolarHBondContact O-N 3.07Å; P26-L29 PolarHBondContact O-N 2.92Å; P26-L30 PolarHBondContact O-N 3.35Å
27H60.6Low66.1Low148 Ų148107.8 Ų107.869%0.68558%0.58SS**Hα-helixtrans-69.1-25.7-175-151.1-67.9000113.4N25N25-H27 PolarHBondContact O-N 2.91Å; N25-H27 VanDerWaalsContact O-N 3.14Å; N25-H27 WeakPolarHBondContact OD1-CB 3.44Å; N25-H27 PolarHBondContact OD1-N 3.39Å; N25-H27 VanDerWaalsContact OD1-N 3.09Å
28A62.2Low64.7Low72 Ų72106.9 Ų106.960%0.59558%0.576SS**Hα-helixtrans-78.8-36.6179.600000112.8N25 P26 K32N25-A28 PolarHBondContact O-N 3.44Å; P26-A28 VanDerWaalsContact C-N 3.3Å; P26-A28 PolarHBondContact O-N 3.07Å; A28-K32 PolarHBondContact O-N 3.2Å
29L58Low63.4Low78 Ų78109.2 Ų109.241%0.40859%0.591SS.*Hα-helixtrans-73.5-38.6179.7-82.7166.6000112.3C24 P26 H31 K32 L33C24-L29 HydrophobicContact CB-CD1 4.46Å; P26-L29 PolarHBondContact O-N 2.92Å; L29-H31 VanDerWaalsContact C-N 3.33Å; L29-H31 PolarHBondContact O-N 3.33Å; L29-K32 PolarHBondContact O-N 3.15Å; L29-L33 WeakPolarHBondContact O-CG 3.34Å; L29-L33 PolarHBondContact O-N 3.39Å
30L63.8Low62.2Low120 Ų120108.2 Ų108.263%0.62859%0.59SS**Hα-helixtrans-59.8-42.1175.8-80166.5000112.3P26 K32 L33 D34P26-L30 PolarHBondContact O-N 3.35Å; L30-K32 VanDerWaalsContact C-N 3.33Å; L30-K32 PolarHBondContact O-N 3.43Å; L30-L33 PolarHBondContact O-N 3.2Å; L30-D34 PolarHBondContact O-N 3.01Å
31H68.5Low60.8Low135 Ų135110.9 Ų110.963%0.62560%0.597SS**Hα-helixtrans-68.5-30.6177.7-163.8-62.8000112.6L29 V35L29-H31 VanDerWaalsContact C-N 3.33Å; L29-H31 PolarHBondContact O-N 3.33Å; H31-V35 VanDerWaalsContact O-CG2 3.28Å; H31-V35 WeakPolarHBondContact O-CG2 3.13Å; H31-V35 PolarHBondContact O-N 3.11Å
32K68.3Low59Low153 Ų153110.1 Ų110.167%0.66560%0.601SS**Hα-helixtrans-68.6-45.5173-117.5-178.4178.6-177.30111.4A28 L29 L30 V35 E36A28-K32 PolarHBondContact O-N 3.2Å; L29-K32 PolarHBondContact O-N 3.15Å; L30-K32 VanDerWaalsContact C-N 3.33Å; L30-K32 PolarHBondContact O-N 3.43Å; K32-V35 PolarHBondContact O-N 3.44Å; K32-E36 PolarHBondContact O-N 2.9Å; K32-E36 VanDerWaalsContact O-N 3.08Å
33L67.8Low57.9Low91 Ų91111.2 Ų111.248%0.47660%0.598SS.*Hα-helixtrans-64.9-41.3179.7-71.7171.2000112.8L29 L30 V35 E36 L37L29-L33 WeakPolarHBondContact O-CG 3.34Å; L29-L33 PolarHBondContact O-N 3.39Å; L30-L33 PolarHBondContact O-N 3.2Å; L33-V35 VanDerWaalsContact C-N 3.32Å; L33-V35 PolarHBondContact O-N 3.14Å; L33-E36 PolarHBondContact O-N 3.3Å; L33-L37 WeakPolarHBondContact O-CB 3.28Å; L33-L37 PolarHBondContact O-N 3.38Å
34D68.6Low56.8Low71 Ų71108.8 Ų108.838%0.3860%0.602SS.*Hα-helixtrans-68.4-30.9178-169.242.2000112.5L30 R38L30-D34 PolarHBondContact O-N 3.01Å; D34-R38 WeakPolarHBondContact O-CB 3.38Å; D34-R38 WeakPolarHBondContact O-CD 3.16Å; D34-R38 WeakPolarHBondContact O-CG 3.49Å; D34-R38 PolarHBondContact O-N 3.46Å; D34-R38 VanDerWaalsContact O-N 3.11Å; D34-R38 IonicContact OD1-CZ 3.78Å; D34-R38 IonicContact OD1-NE 3.14Å; D34-R38 PolarHBondContact OD1-NE 3.35Å; D34-R38 VanDerWaalsContact OD1-NE 3.14Å; D34-R38 IonicContact OD1-NH2 3.32Å; D34-R38 IonicContact OD2-CZ 3.2Å; D34-R38 IonicContact OD2-NE 2.84Å; D34-R38 PolarHBondContact OD2-NE 3Å; D34-R38 IonicContact OD2-NH2 3.71Å; D34-R38 PolarHBondContact OD2-NH2 3.35Å
35V68.8Low56.1Low81 Ų81110 Ų11049%0.49161%0.612SS.*Hα-helixtrans-68.3-45.3172.4169.70000111.5H31 K32 L33 R38 S39H31-V35 VanDerWaalsContact O-CG2 3.28Å; H31-V35 WeakPolarHBondContact O-CG2 3.13Å; H31-V35 PolarHBondContact O-N 3.11Å; K32-V35 PolarHBondContact O-N 3.44Å; L33-V35 VanDerWaalsContact C-N 3.32Å; L33-V35 PolarHBondContact O-N 3.14Å; V35-R38 PolarHBondContact O-N 3.08Å; V35-S39 WeakPolarHBondContact O-CB 3.14Å; V35-S39 PolarHBondContact O-N 3.36Å
36E62.5Low54.9Low123 Ų123113.3 Ų113.358%0.57562%0.624SS**Hα-helixtrans-63.6-41.9174.5-77.1-172.6109.100112.1K32 L33 R38 S39 A40K32-E36 PolarHBondContact O-N 2.9Å; K32-E36 VanDerWaalsContact O-N 3.08Å; L33-E36 PolarHBondContact O-N 3.3Å; E36-R38 VanDerWaalsContact C-N 3.28Å; E36-R38 PolarHBondContact O-N 3.34Å; E36-S39 PolarHBondContact O-N 3.01Å; E36-A40 WeakPolarHBondContact O-CB 3.48Å; E36-A40 PolarHBondContact O-N 3.36Å
37L54Low53.6Low112 Ų112113.7 Ų113.759%0.58663%0.629SS**Hα-helixtrans-68.4-25.7-178.9-13781.9000113.6L33L33-L37 WeakPolarHBondContact O-CB 3.28Å; L33-L37 PolarHBondContact O-N 3.38Å
38R51.5Low52.5Low166 Ų166114 Ų11463%0.62664%0.635SS**Hα-helixtrans-79.1-44.2171.9-71.4170.3-166.3-111.17.7111.5D34 V35 E36 A40 K41D34-R38 WeakPolarHBondContact O-CB 3.38Å; D34-R38 WeakPolarHBondContact O-CD 3.16Å; D34-R38 WeakPolarHBondContact O-CG 3.49Å; D34-R38 PolarHBondContact O-N 3.46Å; D34-R38 VanDerWaalsContact O-N 3.11Å; D34-R38 IonicContact OD1-CZ 3.78Å; D34-R38 IonicContact OD1-NE 3.14Å; D34-R38 PolarHBondContact OD1-NE 3.35Å; D34-R38 VanDerWaalsContact OD1-NE 3.14Å; D34-R38 IonicContact OD1-NH2 3.32Å; D34-R38 IonicContact OD2-CZ 3.2Å; D34-R38 IonicContact OD2-NE 2.84Å; D34-R38 PolarHBondContact OD2-NE 3Å; D34-R38 IonicContact OD2-NH2 3.71Å; D34-R38 PolarHBondContact OD2-NH2 3.35Å; V35-R38 PolarHBondContact O-N 3.08Å; E36-R38 VanDerWaalsContact C-N 3.28Å; E36-R38 PolarHBondContact O-N 3.34Å; R38-A40 VanDerWaalsContact C-N 3.31Å; R38-A40 PolarHBondContact O-N 3.43Å; R38-K41 PolarHBondContact O-N 3.47Å; R38-K41 VanDerWaalsContact O-N 3.14Å
39S51.6Low51.5Low77 Ų77120.4 Ų120.454%0.53864%0.643SS.*Hα-helixtrans-60.2-39.2176.9-169.50000112.3V35 E36 K41 S42V35-S39 WeakPolarHBondContact O-CB 3.14Å; V35-S39 PolarHBondContact O-N 3.36Å; E36-S39 PolarHBondContact O-N 3.01Å; S39-K41 PolarHBondContact O-N 3.19Å; S39-K41 VanDerWaalsContact O-N 3.09Å; S39-S42 PolarHBondContact O-N 3.37Å; S39-S42 PolarHBondContact O-OG 3.46Å
40A48Very low50.6Low79 Ų79123.5 Ų123.565%0.65366%0.66SS**THydrogen-bonded Turntrans-70.92177.300000115.2E36 R38E36-A40 WeakPolarHBondContact O-CB 3.48Å; E36-A40 PolarHBondContact O-N 3.36Å; R38-A40 VanDerWaalsContact C-N 3.31Å; R38-A40 PolarHBondContact O-N 3.43Å
41K47.7Very low49.6Very low175 Ų175126.1 Ų126.176%0.76168%0.675SS**THydrogen-bonded Turntrans-114.7-4.1179.5-79.7-179.2175.5175.80114.7R38 S39R38-K41 PolarHBondContact O-N 3.47Å; R38-K41 VanDerWaalsContact O-N 3.14Å; S39-K41 PolarHBondContact O-N 3.19Å; S39-K41 VanDerWaalsContact O-N 3.09Å
42S43.5Very low48.2Very low98 Ų98127 Ų12769%0.68568%0.684SS**SBendtrans-104.714.9-17651.90000114.6S39S39-S42 PolarHBondContact O-N 3.37Å; S39-S42 PolarHBondContact O-OG 3.46Å
43S39.8Very low46.6Very low91 Ų91124.8 Ų124.864%0.63669%0.687SS**SBendtrans-136.843.4-16649.40000114.9
44S38.5Very low44.9Very low124 Ų124128.1 Ų128.187%0.86770%0.703SS**  trans-153.8101.1163.9-81.90000110.7
45S34.4Very low43.4Very low103 Ų103130 Ų13072%0.7272%0.717SS**  trans-149.3167.8178.152.30000111.7
46E33.2Very low41.8Very low187 Ų187134.7 Ų134.787%0.87473%0.733SS**  trans94.2149.1164.6-54.7-169.382.100120.5
47S34.5Very low40.4Very low104 Ų104136.9 Ų136.973%0.72774%0.744SS**  trans68.890165-174.10000120.5
48L38.1Very low39.3Very low154 Ų154139.2 Ų139.281%0.80676%0.756SS**  173.290.4121.4-90.8166.8000107.8
49R40.5Very low38.5Very low207 Ų207138.8 Ų138.878%0.78177%0.767SS**  72.293.591.7-75.8-172.2-177.6-106.20.3114.7
50D38.5Very low38Very low143 Ų143141.4 Ų141.477%0.76578%0.779SS**  trans29.3115.6133.1-37.1-68.7000119
51D43.4Very low37.4Very low175 Ų175141 Ų14194%0.93678%0.776SS**  -163.3162.3116.7-111.5-38.3000110.6
52D38Very low36.8Very low154 Ų154137.9 Ų137.982%0.82478%0.776SS**  trans-92175.4-163.9-125.9-43.6000115.7
53C36.3Very low36.9Very low105 Ų105138.3 Ų138.371%0.70977%0.767SS**  trans92.195155.789.90000123
54I32.6Very low38Very low162 Ų162139 Ų13983%0.83177%0.772SS**  trans47.5142.8132.7-11.1-178.7000123.4
55V35.3Very low39.5Very low110 Ų110135.2 Ų135.267%0.66774%0.742SS**  trans72.298.2160.8-1360000118.3
56H35.9Very low41.8Very low179 Ų179133.4 Ų133.483%0.82973%0.729SS**  -169.315693.9-107.5-82.4000113
57Q32.6Very low44.4Very low170 Ų170125 Ų12579%0.79469%0.69SS**  trans-78.3132.4-174.8-65167.5-4.700112.3
58N31.6Very low46.9Very low160 Ų160124.8 Ų124.886%0.85668%0.678SS**  trans-158.750.2158.2-106.5-33.2000111.4V60N58-V60 PolarHBondContact O-N 2.66Å
59D34.4Very low49.3Very low157 Ų157123.8 Ų123.884%0.8467%0.673SS**  trans-66.296.2177.1-81.6-60.9000111.8A61D59-A61 VanDerWaalsContact C-N 3.25Å; D59-A61 PolarHBondContact O-N 3.05Å
60V40.8Very low51.6Low132 Ų132116.4 Ų116.480%0.865%0.645SS**  trans-68.587.6166.2-178.80000108N58 S62N58-V60 PolarHBondContact O-N 2.66Å; V60-S62 PolarHBondContact O-N 3.37Å
61A34.9Very low54.1Low72 Ų72115.4 Ų115.460%0.59563%0.634SS**  trans-55.897.3-175.600000111.8D59 H63D59-A61 VanDerWaalsContact C-N 3.25Å; D59-A61 PolarHBondContact O-N 3.05Å; A61-H63 PolarHBondContact O-CD2 3.14Å; A61-H63 PolarHBondContact O-N 3.49Å
62S37Very low56.4Low108 Ų108109.8 Ų109.876%0.75562%0.617SS**  trans-69.7111.7173.4-67.40000108.3V60 S64V60-S62 PolarHBondContact O-N 3.37Å; S62-S64 VanDerWaalsContact C-N 3.31Å; S62-S64 PolarHBondContact O-N 3.13Å
63H45.5Very low59.1Low107 Ų107104.2 Ų104.250%0.49559%0.589SS.*  trans-73.676.1-169.7-79.9-87.2000112.9A61 L362A61-H63 PolarHBondContact O-CD2 3.14Å; A61-H63 PolarHBondContact O-N 3.49Å; H63-L362 WeakPolarHBondContact NE2-CD1 3.43Å
64S62.3Low61.9Low106 Ų106103.7 Ų103.774%0.74157%0.572SS**  trans-65131.7168.955.70000111.1S62 S66S62-S64 VanDerWaalsContact C-N 3.31Å; S62-S64 PolarHBondContact O-N 3.13Å; S64-S66 PolarHBondContact O-N 3.22Å
65L70.3Confident64.8Low45 Ų4596 Ų9624%0.23653%0.533CS..  trans-72.4113.8-176-54.5-169.8000112.1L67 E214 L215 E218L65-L67 PolarHBondContact O-N 3.2Å; L65-L67 VanDerWaalsContact O-N 3.17Å; L65-E214 HydrophobicContact CD1-CB 3.78Å; L65-E214 HydrophobicContact CD2-CB 3.82Å; L65-E214 HydrophobicContact CG-CB 4.41Å; L65-L215 HydrophobicContact CD1-CB 4.36Å; L65-L215 HydrophobicContact CD1-CD2 3.68Å; L65-L215 HydrophobicContact CD1-CG 3.75Å; L65-E218 WeakPolarHBondContact CG-OE2 3.31Å
66S82.8Confident67.6Low64 Ų6490.8 Ų90.845%0.44850%0.501SS..  trans-74.8101.6172.8-178.60000110.9S64 Q68S64-S66 PolarHBondContact O-N 3.22Å; S66-Q68 PolarHBondContact O-N 3.34Å
67L86.5Confident70.4Confident11 Ų1182.2 Ų82.26%0.05846%0.462CS..G310 helixtrans-62.5-19.4172.6-72.3177.4000113L65 D69 W70 V93 N97 L99 V118 L119 W211L65-L67 PolarHBondContact O-N 3.2Å; L65-L67 VanDerWaalsContact O-N 3.17Å; L67-D69 PolarHBondContact O-N 3.48Å; L67-W70 WeakPolarHBondContact O-CB 3.42Å; L67-W70 PolarHBondContact O-N 3.45Å; L67-W70 VanDerWaalsContact O-N 3.1Å; L67-V93 HydrophobicContact CB-CG1 3.74Å; L67-N97 HydrophobicContact CD1-CB 4.39Å; L67-L99 HydrophobicContact CB-CD2 4.41Å; L67-L99 HydrophobicContact CD1-CD2 4.37Å; L67-V118 HydrophobicContact CD1-CG2 3.75Å; L67-L119 HydrophobicContact CD1-CG 4.45Å; L67-L119 HydrophobicContact CD2-CD2 4.36Å; L67-W211 HydrophobicContact CD2-CD2 3.68Å; L67-W211 HydrophobicContact CD2-CE3 3.84Å; L67-W211 HydrophobicContact CD2-CG 4.01Å; L67-W211 HydrophobicContact CD2-CZ3 4.37Å
68Q87.1Confident73.2Confident100 Ų10076.3 Ų76.347%0.46743%0.433SS..G310 helixtrans-57.3-32.7-178-175.266.66.100113.2S66 W70 K71S66-Q68 PolarHBondContact O-N 3.34Å; Q68-W70 PolarHBondContact O-N 3.33Å; Q68-K71 WeakPolarHBondContact O-CB 3.19Å; Q68-K71 PolarHBondContact O-N 3.16Å
69D88.9Confident75.9Confident133 Ų13368.7 Ų68.771%0.71139%0.393SS*.G310 helixtrans-67.6-16.5-178.5-68.1-31000113.1L67L67-D69 PolarHBondContact O-N 3.48Å
70W88.9Confident78.3Confident52 Ų5264.8 Ų64.820%0.19738%0.375CS..G310 helixtrans-88.8-3.8179-60.994.6000113.9L67 Q68 G72 T73 I90 P210 W211L67-W70 WeakPolarHBondContact O-CB 3.42Å; L67-W70 PolarHBondContact O-N 3.45Å; L67-W70 VanDerWaalsContact O-N 3.1Å; Q68-W70 PolarHBondContact O-N 3.33Å; W70-G72 PolarHBondContact O-N 3.14Å; W70-T73 HydrophobicContact CE3-CG2 4.16Å; W70-T73 WeakPolarHBondContact O-CB 3.46Å; W70-T73 PolarHBondContact O-N 2.84Å; W70-T73 PolarHBondContact O-OG1 2.73Å; W70-I90 HydrophobicContact CB-CD1 4.06Å; W70-P210 HydrophobicContact CD2-CB 3.92Å; W70-P210 HydrophobicContact CE3-CB 3.37Å; W70-P210 HydrophobicContact CH2-CB 4.05Å; W70-P210 VanDerWaalsContact CH2-O 3.22Å; W70-P210 WeakPolarHBondContact CH2-O 3.42Å; W70-P210 HydrophobicContact CZ3-CB 3.44Å; W70-P210 VanDerWaalsContact CZ3-CB 3.44Å; W70-W211 HydrophobicContact CD2-CE3 4.49Å; W70-W211 HydrophobicContact CG-CE3 4.2Å; W70-W211 HydrophobicContact CZ2-CB 4.05Å
71K91.8Very high80.3Confident121 Ų12164.8 Ų64.853%0.52637%0.371SS..THydrogen-bonded Turntrans-59.4124.6177.3-168.2-172.8-178.9-171.50111Q68 K91 V93Q68-K71 WeakPolarHBondContact O-CB 3.19Å; Q68-K71 PolarHBondContact O-N 3.16Å; K71-K91 WeakPolarHBondContact CE-O 3.4Å; K71-V93 HydrophobicContact CB-CG2 4.39Å
72G91.8Very high82.6Confident57 Ų5765.6 Ų65.659%0.58836%0.359SS*.THydrogen-bonded Turntrans92.2-0.9-17400000114.8W70 I90W70-G72 PolarHBondContact O-N 3.14Å; G72-I90 PolarHBondContact N-O 3.46Å
73T93.8Very high84.9Confident37 Ų3762.6 Ų62.623%0.22733%0.334CS..  trans-73.8138.1178.3-55.30000111.6W70 C89 I90W70-T73 HydrophobicContact CE3-CG2 4.16Å; W70-T73 WeakPolarHBondContact O-CB 3.46Å; W70-T73 PolarHBondContact O-N 2.84Å; W70-T73 PolarHBondContact O-OG1 2.73Å; T73-C89 WeakPolarHBondContact O-CA 3.27Å; T73-I90 PolarHBondContact O-N 3.17Å
74R94.5Very high87Confident95 Ų9559 Ų5936%0.35832%0.318SS..EExtended strand (participates in β ladder)trans-73.1129.4170.4-72.2-71-70.1-169-1.4111.1G88 C89 D104 D129R74-G88 WeakPolarHBondContact CA-O 2.82Å; R74-C89 WeakPolarHBondContact CD-SG 3.38Å; R74-D104 IonicContact CZ-OD1 2.8Å; R74-D104 IonicContact CZ-OD2 2.73Å; R74-D104 VanDerWaalsContact NH1-CG 3.31Å; R74-D104 IonicContact NH1-OD1 3.97Å; R74-D104 PolarHBondContact NH1-OD1 3.41Å; R74-D104 IonicContact NH1-OD2 3.46Å; R74-D104 PolarHBondContact NH1-OD2 3.35Å; R74-D104 VanDerWaalsContact NH1-OD2 3.09Å; R74-D104 IonicContact NH2-OD1 2.73Å; R74-D104 IonicContact NH2-OD2 3.21Å; R74-D104 PolarHBondContact NH2-OD2 3.14Å; R74-D129 HydrophobicContact CB-CB 4.24Å
75V94.8Very high88.5Confident0 Ų054.5 Ų54.50%029%0.285CS..EExtended strand (participates in β ladder)trans-134155.3-179-66.80000110.4G88 I90 V101 I126 V127 P210V75-G88 PolarHBondContact N-O 2.94Å; V75-G88 PolarHBondContact O-N 3.23Å; V75-I90 HydrophobicContact CG1-CD1 3.92Å; V75-I90 HydrophobicContact CG1-CG1 4.01Å; V75-I90 HydrophobicContact CG2-CG1 4.22Å; V75-V101 HydrophobicContact CG2-CG1 3.82Å; V75-V101 HydrophobicContact CG2-CG2 4.3Å; V75-I126 HydrophobicContact CB-CG2 3.87Å; V75-I126 HydrophobicContact CG1-CG2 3.75Å; V75-I126 HydrophobicContact CG2-CG2 4.19Å; V75-V127 CarbonylContact C-O 3.6Å; V75-V127 WeakPolarHBondContact CA-O 3.42Å; V75-V127 WeakPolarHBondContact CB-O 3.24Å; V75-P210 HydrophobicContact CG1-CG 3.68Å
76L94.1Very high89.6Confident0 Ų052.9 Ų52.90%028%0.276CS..EExtended strand (participates in β ladder)trans-91.1128.1153.4-64.3-166.5000107.4Y85 F86 C87 V127 F154 R205L76-Y85 HydrophobicContact CB-CD1 4.41Å; L76-F86 CarbonylContact C-O 3.59Å; L76-F86 WeakPolarHBondContact CA-O 3.4Å; L76-C87 HydrophobicContact CD2-CB 4.32Å; L76-C87 VanDerWaalsContact CD2-SG 3.52Å; L76-V127 HydrophobicContact CB-CB 4.31Å; L76-V127 PolarHBondContact N-O 2.85Å; L76-V127 PolarHBondContact O-N 3.3Å; L76-F154 HydrophobicContact CD1-CB 4.07Å; L76-F154 HydrophobicContact CD1-CD1 3.84Å; L76-F154 HydrophobicContact CD1-CD2 3.72Å; L76-F154 HydrophobicContact CD1-CE1 4.13Å; L76-F154 HydrophobicContact CD1-CE2 4.01Å; L76-F154 HydrophobicContact CD1-CG 3.65Å; L76-F154 HydrophobicContact CD1-CZ 4.21Å; L76-F154 HydrophobicContact CD2-CD2 4.02Å; L76-F154 HydrophobicContact CD2-CE2 3.87Å; L76-F154 HydrophobicContact CD2-CZ 4.48Å; L76-R205 HydrophobicContact CD1-CB 4.31Å; L76-R205 HydrophobicContact CD1-CG 3.62Å; L76-R205 HydrophobicContact CG-CG 4.38Å
77A93.4Very high90.1Very high0 Ų051 Ų510%026%0.263CS..EExtended strand (participates in β ladder)trans-128.9152.8175.400000110.5Y85 F86 V101 F103 Y115 E125 I126A77-Y85 WeakPolarHBondContact O-CA 3.27Å; A77-F86 PolarHBondContact N-O 2.94Å; A77-F86 PolarHBondContact O-N 3.27Å; A77-V101 HydrophobicContact CB-CG1 4.07Å; A77-V101 HydrophobicContact CB-CG2 4.38Å; A77-F103 HydrophobicContact CB-CE1 3.84Å; A77-F103 HydrophobicContact CB-CZ 3.68Å; A77-F103 WeakPolarHBondContact O-CE1 3.36Å; A77-Y115 HydrophobicContact CB-CE2 4.2Å; A77-E125 VanDerWaalsContact CA-O 3.31Å; A77-E125 WeakPolarHBondContact CA-O 3.35Å; A77-I126 HydrophobicContact CB-CG1 4.28Å
78K91.4Very high90.4Very high45 Ų4550.5 Ų50.520%0.19626%0.26CS..  trans-100.4111.6-178.7175.4168.4169.2143.70110.3R82 D83 Y85 Y115 E125K78-R82 WeakPolarHBondContact CE-O 3.34Å; K78-R82 WeakPolarHBondContact CG-O 3.43Å; K78-D83 WeakPolarHBondContact CE-O 3.17Å; K78-D83 WeakPolarHBondContact CE-OD1 3.48Å; K78-D83 VanDerWaalsContact NZ-CA 3.3Å; K78-D83 PolarHBondContact NZ-O 3.22Å; K78-D83 IonicContact NZ-OD1 3.84Å; K78-D83 PolarHBondContact NZ-OD1 2.74Å; K78-Y85 HydrophobicContact CB-CD1 4.15Å; K78-Y85 HydrophobicContact CB-CE1 4.18Å; K78-Y115 WeakPolarHBondContact O-CE1 3.23Å; K78-Y115 PolarHBondContact O-OH 2.93Å; K78-E125 PolarHBondContact N-O 3.06Å
79P89.8Confident90.7Very high1 Ų147.4 Ų47.41%0.00625%0.25CC..  trans-60.5150.4177.1-2132.1000111.5D81 R82 D84 F86 F103P79-D81 PolarHBondContact O-N 3.09Å; P79-R82 HydrophobicContact CB-CB 4.43Å; P79-R82 PolarHBondContact O-N 3.42Å; P79-D84 WeakPolarHBondContact CD-O 3.41Å; P79-F86 HydrophobicContact CG-CD2 3.78Å; P79-F86 HydrophobicContact CG-CE2 4.36Å; P79-F103 HydrophobicContact CB-CE2 4.42Å; P79-F103 HydrophobicContact CB-CZ 4.47Å; P79-F103 HydrophobicContact CG-CE1 4.25Å; P79-F103 HydrophobicContact CG-CE2 4.02Å; P79-F103 HydrophobicContact CG-CZ 3.74Å
80P84.5Confident91Very high74 Ų7441.1 Ų41.148%0.48122%0.216SC..THydrogen-bonded Turntrans-60.5-30.7-177.824.3-34.5000113.5R180P80-R180 PolarHBondContact O-NH1 3.45Å
81D82.6Confident91.2Very high132 Ų13243.1 Ų43.171%0.70623%0.226SC*.THydrogen-bonded Turntrans-89.7-3.2-176-46-57.1000114.2P79P79-D81 PolarHBondContact O-N 3.09Å
82R83.1Confident91.1Very high90 Ų9038.9 Ų38.934%0.3421%0.214SC..  trans-135.9141-173.7-64.1-169.7-178.1173.210111.8K78 P79 D84 F86 A107K78-R82 WeakPolarHBondContact CE-O 3.34Å; K78-R82 WeakPolarHBondContact CG-O 3.43Å; P79-R82 HydrophobicContact CB-CB 4.43Å; P79-R82 PolarHBondContact O-N 3.42Å; R82-D84 VanDerWaalsContact C-N 3.34Å; R82-F86 HydrophobicContact CB-CE2 4.3Å; R82-F86 VanDerWaalsContact NH1-CZ 3.31Å; R82-A107 PolarHBondContact NH1-O 3.42Å; R82-A107 PolarHBondContact NH2-O 3.25Å
83D85.2Confident91.1Very high45 Ų4537.7 Ų37.724%0.24120%0.195CC..SBendtrans-82.1-12.5179.4-82.6-61.2000114.6K78 N176 R180K78-D83 WeakPolarHBondContact CE-O 3.17Å; K78-D83 WeakPolarHBondContact CE-OD1 3.48Å; K78-D83 VanDerWaalsContact NZ-CA 3.3Å; K78-D83 PolarHBondContact NZ-O 3.22Å; K78-D83 IonicContact NZ-OD1 3.84Å; K78-D83 PolarHBondContact NZ-OD1 2.74Å; D83-N176 WeakPolarHBondContact CB-OD1 3.4Å; D83-R180 IonicContact OD1-NH2 3.55Å
84D90.2Very high90.8Very high30 Ų3042.3 Ų42.316%0.1621%0.208CC..SBendtrans-89.1159.3179.3-60.8-2.3000113.3P79 R82 F86 N153 N176P79-D84 WeakPolarHBondContact CD-O 3.41Å; R82-D84 VanDerWaalsContact C-N 3.34Å; D84-F86 HydrophobicContact CB-CE2 3.9Å; D84-F86 HydrophobicContact CB-CZ 4.46Å; D84-N153 HydrophobicContact CB-CB 4.18Å; D84-N153 PolarHBondContact OD2-ND2 3.47Å; D84-N176 PolarHBondContact OD1-ND2 3.12Å
85Y93.9Very high90.2Very high12 Ų1242.3 Ų42.35%0.04722%0.222CC..BIsolated β-bridgetrans-94.7139.3175.1-64.4-102.3000112L76 A77 K78 F124 V127 C144 N153 F154 L156 L207L76-Y85 HydrophobicContact CB-CD1 4.41Å; A77-Y85 WeakPolarHBondContact O-CA 3.27Å; K78-Y85 HydrophobicContact CB-CD1 4.15Å; K78-Y85 HydrophobicContact CB-CE1 4.18Å; Y85-F124 VanDerWaalsContact CE1-O 3.3Å; Y85-F124 WeakPolarHBondContact CE1-O 3.48Å; Y85-F124 PolarHBondContact OH-O 2.8Å; Y85-V127 HydrophobicContact CD1-CG2 4.48Å; Y85-V127 HydrophobicContact CE1-CG2 3.9Å; Y85-C144 VanDerWaalsContact CD2-SG 3.51Å; Y85-C144 VanDerWaalsContact CG-SG 3.59Å; Y85-N153 CarbonylContact O-C 3.56Å; Y85-N153 WeakPolarHBondContact O-CA 3.44Å; Y85-F154 PolarHBondContact N-O 3.21Å; Y85-F154 PolarHBondContact O-N 2.87Å; Y85-L156 HydrophobicContact CE2-CD2 3.81Å; Y85-L156 HydrophobicContact CE2-CG 4.25Å; Y85-L207 HydrophobicContact CE2-CD2 4.44Å
86F93.1Very high89.5Confident11 Ų1148.9 Ų48.95%0.04826%0.258CS..EExtended strand (participates in β ladder)trans-123.9152.8177.7-68.2-97.2000111.1L76 A77 P79 R82 D84 F103 A107 N153L76-F86 CarbonylContact C-O 3.59Å; L76-F86 WeakPolarHBondContact CA-O 3.4Å; A77-F86 PolarHBondContact N-O 2.94Å; A77-F86 PolarHBondContact O-N 3.27Å; P79-F86 HydrophobicContact CG-CD2 3.78Å; P79-F86 HydrophobicContact CG-CE2 4.36Å; R82-F86 HydrophobicContact CB-CE2 4.3Å; R82-F86 VanDerWaalsContact NH1-CZ 3.31Å; D84-F86 HydrophobicContact CB-CE2 3.9Å; D84-F86 HydrophobicContact CB-CZ 4.46Å; F86-F103 HydrophobicContact CB-CD1 3.81Å; F86-F103 HydrophobicContact CB-CE1 3.75Å; F86-A107 HydrophobicContact CB-CB 4.21Å; F86-A107 HydrophobicContact CD1-CB 4.11Å; F86-A107 HydrophobicContact CG-CB 4.19Å; F86-N153 HydrophobicContact CD1-CB 4.37Å; F86-N153 HydrophobicContact CE1-CB 3.8Å; F86-N153 HydrophobicContact CE2-CB 4.35Å; F86-N153 HydrophobicContact CZ-CB 3.77Å
87C92.4Very high89Confident25 Ų2551.8 Ų51.817%0.16927%0.273CS..EExtended strand (participates in β ladder)trans-70.6138.4177.5-65.30000112.4L76 F103 D104L76-C87 HydrophobicContact CD2-CB 4.32Å; L76-C87 VanDerWaalsContact CD2-SG 3.52Å; C87-F103 WeakPolarHBondContact O-CD1 2.99Å; C87-D104 HydrophobicContact CB-CB 4.43Å; C87-D104 WeakPolarHBondContact CB-OD2 3.38Å; C87-D104 PolarHBondContact O-N 2.94Å
88G92.7Very high88.8Confident0 Ų052.3 Ų52.30%028%0.276CS..EExtended strand (participates in β ladder)trans-161.1-174.5174.600000114.2R74 V75 E102R74-G88 WeakPolarHBondContact CA-O 2.82Å; V75-G88 PolarHBondContact N-O 2.94Å; V75-G88 PolarHBondContact O-N 3.23Å; G88-E102 CarbonylContact C-O 3.53Å; G88-E102 WeakPolarHBondContact CA-O 3.42Å
89C93.8Very high88.8Confident36 Ų3650.1 Ų50.124%0.24327%0.267CS..EExtended strand (participates in β ladder)trans-130.5135.6-177.3-56.60000110.3T73 R74 K91 V101 E102T73-C89 WeakPolarHBondContact O-CA 3.27Å; R74-C89 WeakPolarHBondContact CD-SG 3.38Å; C89-K91 PolarHBondContact O-N 3.21Å; C89-V101 CarbonylContact O-C 3.5Å; C89-V101 WeakPolarHBondContact O-CA 3.45Å; C89-E102 PolarHBondContact N-O 3.26Å; C89-E102 PolarHBondContact O-N 3.2Å
90I94.6Very high88.9Confident0 Ų050.6 Ų50.60%027%0.269CS..EExtended strand (participates in β ladder)trans-70.696.3173.9-58.7171.9000109.3W70 G72 T73 V75 V93 L99 V100 W211W70-I90 HydrophobicContact CB-CD1 4.06Å; G72-I90 PolarHBondContact N-O 3.46Å; T73-I90 PolarHBondContact O-N 3.17Å; V75-I90 HydrophobicContact CG1-CD1 3.92Å; V75-I90 HydrophobicContact CG1-CG1 4.01Å; V75-I90 HydrophobicContact CG2-CG1 4.22Å; I90-V93 HydrophobicContact CG2-CG2 4.28Å; I90-L99 HydrophobicContact CD1-CD1 4.2Å; I90-L99 HydrophobicContact CG2-CD2 4.11Å; I90-V100 CarbonylContact C-O 3.26Å; I90-W211 HydrophobicContact CD1-CZ3 4.09Å
91K93.3Very high89.4Confident95 Ų9547 Ų4741%0.41325%0.247SC..EExtended strand (participates in β ladder)trans-75.9-35.9-175.5-169.4178.2-158.4153.30112.8K71 C89 V100 E102 L112K71-K91 WeakPolarHBondContact CE-O 3.4Å; C89-K91 PolarHBondContact O-N 3.21Å; K91-V100 PolarHBondContact N-O 2.99Å; K91-E102 HydrophobicContact CB-CB 3.99Å; K91-E102 HydrophobicContact CD-CB 4.24Å; K91-E102 WeakPolarHBondContact CD-OE2 3.37Å; K91-E102 WeakPolarHBondContact CE-OE2 3.28Å; K91-E102 IonicContact NZ-OE1 2.75Å; K91-E102 PolarHBondContact NZ-OE1 3.06Å; K91-E102 IonicContact NZ-OE2 3.8Å; K91-E102 PolarHBondContact NZ-OE2 2.98Å; K91-L112 HydrophobicContact CB-CD2 4.49Å; K91-L112 HydrophobicContact CD-CD2 3.4Å
92A90.9Very high89.9Confident32 Ų3243.7 Ų43.726%0.26423%0.227SC..EExtended strand (participates in β ladder)trans-147.8154.9177.800000112.3V100A92-V100 HydrophobicContact CB-CB 4.1Å; A92-V100 HydrophobicContact CB-CG2 4.12Å; A92-V100 PolarHBondContact N-O 2.84Å; A92-V100 PolarHBondContact O-N 2.88Å
93V90.7Very high90.3Very high31 Ų3139.9 Ų39.919%0.18821%0.212CC..EExtended strand (participates in β ladder)trans-117132.9169.5-174.60000105.8L67 K71 I90 L99L67-V93 HydrophobicContact CB-CG1 3.74Å; K71-V93 HydrophobicContact CB-CG2 4.39Å; I90-V93 HydrophobicContact CG2-CG2 4.28Å; V93-L99 HydrophobicContact CB-CD2 4.08Å; V93-L99 HydrophobicContact CG1-CD2 3.87Å; V93-L99 HydrophobicContact CG2-CD2 3.69Å
94R87.6Confident90.5Very high135 Ų13540.5 Ų40.551%0.50922%0.216SC..  trans-109.9173.2176-64.5178.9178.5165.2-0.1108.9T98 V100R94-T98 HydrophobicContact CB-CG2 4.14Å; R94-T98 PolarHBondContact N-O 3.46Å; R94-V100 HydrophobicContact CG-CG2 4.44Å
95S81.5Confident89.8Confident94 Ų9448.1 Ų48.166%0.65725%0.25SS*.SBendtrans-57.8166.6165.745.30000111.5N97 T98S95-N97 PolarHBondContact O-N 3.28Å; S95-T98 WeakPolarHBondContact O-CB 3.24Å; S95-T98 PolarHBondContact O-N 3.31Å
96N80.7Confident88.6Confident139 Ų13950.3 Ų50.374%0.74327%0.271SS*.THydrogen-bonded Turntrans54.753.5174.3-53.10.6000112.6T98N96-T98 PolarHBondContact O-N 2.78Å; N96-T98 PolarHBondContact O-OG1 3.29Å
97N83.9Confident87.3Confident60 Ų6050 Ų5032%0.32127%0.27SS..THydrogen-bonded Turntrans5029173.8-60.2-17000114.5L67 S95 D117 V118 L119L67-N97 HydrophobicContact CD1-CB 4.39Å; S95-N97 PolarHBondContact O-N 3.28Å; N97-D117 WeakPolarHBondContact CB-OD1 3.4Å; N97-D117 PolarHBondContact ND2-OD1 2.78Å; N97-D117 PolarHBondContact O-N 3.27Å; N97-V118 WeakPolarHBondContact O-CG2 3.23Å; N97-V118 PolarHBondContact O-N 3.49Å; N97-L119 HydrophobicContact CB-CG 4.34Å
98T89.4Confident86.1Confident11 Ų1151.8 Ų51.87%0.06729%0.293CS..  trans-101.1124.4-172.3-67.90000110.2R94 S95 N96 V114 Y115 H116R94-T98 HydrophobicContact CB-CG2 4.14Å; R94-T98 PolarHBondContact N-O 3.46Å; S95-T98 WeakPolarHBondContact O-CB 3.24Å; S95-T98 PolarHBondContact O-N 3.31Å; N96-T98 PolarHBondContact O-N 2.78Å; N96-T98 PolarHBondContact O-OG1 3.29Å; T98-V114 HydrophobicContact CG2-CG1 3.52Å; T98-Y115 CarbonylContact C-O 3.59Å; T98-Y115 VanDerWaalsContact CA-O 3.25Å; T98-Y115 WeakPolarHBondContact CA-O 3.48Å; T98-Y115 WeakPolarHBondContact CG2-O 3.44Å; T98-H116 WeakPolarHBondContact CG2-ND1 3.08Å; T98-H116 PolarHBondContact OG1-ND1 3.43Å; T98-H116 VanDerWaalsContact OG1-ND1 3.13Å
99L91.3Very high84.6Confident0 Ų053.6 Ų53.60%030%0.304CS..EExtended strand (participates in β ladder)trans-108.7148.3179.4-65.2-174.5000111.5L67 I90 V93 V114 Y115 V118 I126 W211L67-L99 HydrophobicContact CB-CD2 4.41Å; L67-L99 HydrophobicContact CD1-CD2 4.37Å; I90-L99 HydrophobicContact CD1-CD1 4.2Å; I90-L99 HydrophobicContact CG2-CD2 4.11Å; V93-L99 HydrophobicContact CB-CD2 4.08Å; V93-L99 HydrophobicContact CG1-CD2 3.87Å; V93-L99 HydrophobicContact CG2-CD2 3.69Å; L99-V114 CarbonylContact O-C 3.57Å; L99-V114 WeakPolarHBondContact O-CA 3.43Å; L99-Y115 PolarHBondContact N-O 3.46Å; L99-Y115 PolarHBondContact O-N 3.42Å; L99-V118 HydrophobicContact CB-CG1 4.22Å; L99-V118 HydrophobicContact CD1-CB 4.45Å; L99-V118 HydrophobicContact CD1-CG1 4.13Å; L99-V118 HydrophobicContact CD1-CG2 3.86Å; L99-V118 HydrophobicContact CG-CG1 4.02Å; L99-V118 HydrophobicContact CG-CG2 3.99Å; L99-I126 HydrophobicContact CB-CD1 4.22Å; L99-I126 HydrophobicContact CD1-CD1 3.79Å; L99-W211 HydrophobicContact CD1-CH2 3.36Å; L99-W211 HydrophobicContact CD1-CZ2 4.31Å; L99-W211 HydrophobicContact CD1-CZ3 3.59Å
100V92.4Very high83.2Confident10 Ų1059.5 Ų59.56%0.06133%0.329CS..EExtended strand (participates in β ladder)trans-114114.2169.1-170.90000107.9I90 K91 A92 R94 L112 V113 V114I90-V100 CarbonylContact C-O 3.26Å; K91-V100 PolarHBondContact N-O 2.99Å; A92-V100 HydrophobicContact CB-CB 4.1Å; A92-V100 HydrophobicContact CB-CG2 4.12Å; A92-V100 PolarHBondContact N-O 2.84Å; A92-V100 PolarHBondContact O-N 2.88Å; R94-V100 HydrophobicContact CG-CG2 4.44Å; V100-L112 HydrophobicContact CG1-CB 4.41Å; V100-L112 HydrophobicContact CG1-CD2 4.39Å; V100-V113 WeakPolarHBondContact CA-O 3.14Å; V100-V114 HydrophobicContact CG2-CG2 4.31Å
101V93.4Very high82.6Confident0 Ų063.3 Ų63.30%035%0.352CS..EExtended strand (participates in β ladder)trans-99.3129.2176.8-1780000108.8V75 A77 C89 V113 Y115 I126V75-V101 HydrophobicContact CG2-CG1 3.82Å; V75-V101 HydrophobicContact CG2-CG2 4.3Å; A77-V101 HydrophobicContact CB-CG1 4.07Å; A77-V101 HydrophobicContact CB-CG2 4.38Å; C89-V101 CarbonylContact O-C 3.5Å; C89-V101 WeakPolarHBondContact O-CA 3.45Å; V101-V113 PolarHBondContact N-O 3.03Å; V101-V113 PolarHBondContact O-N 3.22Å; V101-Y115 HydrophobicContact CB-CD2 4.27Å; V101-Y115 HydrophobicContact CB-CE2 3.94Å; V101-Y115 HydrophobicContact CG2-CD2 3.78Å; V101-Y115 HydrophobicContact CG2-CE2 3.81Å; V101-I126 HydrophobicContact CG2-CD1 3.97Å; V101-I126 HydrophobicContact CG2-CG1 4.46Å
102E93.3Very high82.4Confident62 Ų6262.1 Ų62.129%0.2935%0.35SS..EExtended strand (participates in β ladder)trans-92.5116170.6179.9152.6-126.300109.7G88 C89 K91 T111 L112G88-E102 CarbonylContact C-O 3.53Å; G88-E102 WeakPolarHBondContact CA-O 3.42Å; C89-E102 PolarHBondContact N-O 3.26Å; C89-E102 PolarHBondContact O-N 3.2Å; K91-E102 HydrophobicContact CB-CB 3.99Å; K91-E102 HydrophobicContact CD-CB 4.24Å; K91-E102 WeakPolarHBondContact CD-OE2 3.37Å; K91-E102 WeakPolarHBondContact CE-OE2 3.28Å; K91-E102 IonicContact NZ-OE1 2.75Å; K91-E102 PolarHBondContact NZ-OE1 3.06Å; K91-E102 IonicContact NZ-OE2 3.8Å; K91-E102 PolarHBondContact NZ-OE2 2.98Å; E102-T111 CarbonylContact C-O 3.59Å; E102-T111 WeakPolarHBondContact CA-O 3.31Å; E102-L112 HydrophobicContact CB-CD2 3.74Å; E102-L112 HydrophobicContact CG-CD2 3.98Å
103F92Very high82.3Confident9 Ų961.5 Ų61.54%0.03934%0.343CS..EExtended strand (participates in β ladder)trans-82.3145.3-178.7-81.8-68.4000112.1A77 P79 F86 C87 A107 T111 V113 Y115A77-F103 HydrophobicContact CB-CE1 3.84Å; A77-F103 HydrophobicContact CB-CZ 3.68Å; A77-F103 WeakPolarHBondContact O-CE1 3.36Å; P79-F103 HydrophobicContact CB-CE2 4.42Å; P79-F103 HydrophobicContact CB-CZ 4.47Å; P79-F103 HydrophobicContact CG-CE1 4.25Å; P79-F103 HydrophobicContact CG-CE2 4.02Å; P79-F103 HydrophobicContact CG-CZ 3.74Å; F86-F103 HydrophobicContact CB-CD1 3.81Å; F86-F103 HydrophobicContact CB-CE1 3.75Å; C87-F103 WeakPolarHBondContact O-CD1 2.99Å; F103-A107 HydrophobicContact CB-CB 3.75Å; F103-A107 HydrophobicContact CD1-CB 4.21Å; F103-A107 HydrophobicContact CG-CB 4.02Å; F103-T111 PolarHBondContact N-O 3.38Å; F103-V113 HydrophobicContact CD2-CB 4.22Å; F103-V113 HydrophobicContact CD2-CG2 3.82Å; F103-V113 HydrophobicContact CE2-CB 3.78Å; F103-V113 HydrophobicContact CE2-CG1 4.45Å; F103-V113 HydrophobicContact CE2-CG2 3.63Å; F103-Y115 WeakPolarHBondContact CZ-OH 3.27Å
104D89.2Confident82.3Confident59 Ų5962.3 Ų62.332%0.31635%0.347SS..  trans-64.5147.8166.5-66.9-19.6000109.8R74 C87 A106 A107R74-D104 IonicContact CZ-OD1 2.8Å; R74-D104 IonicContact CZ-OD2 2.73Å; R74-D104 VanDerWaalsContact NH1-CG 3.31Å; R74-D104 IonicContact NH1-OD1 3.97Å; R74-D104 PolarHBondContact NH1-OD1 3.41Å; R74-D104 IonicContact NH1-OD2 3.46Å; R74-D104 PolarHBondContact NH1-OD2 3.35Å; R74-D104 VanDerWaalsContact NH1-OD2 3.09Å; R74-D104 IonicContact NH2-OD1 2.73Å; R74-D104 IonicContact NH2-OD2 3.21Å; R74-D104 PolarHBondContact NH2-OD2 3.14Å; C87-D104 HydrophobicContact CB-CB 4.43Å; C87-D104 WeakPolarHBondContact CB-OD2 3.38Å; C87-D104 PolarHBondContact O-N 2.94Å; D104-A106 PolarHBondContact O-N 2.88Å; D104-A107 WeakPolarHBondContact O-CB 3.41Å; D104-A107 PolarHBondContact O-N 2.92Å
105E75.3Confident82.5Confident189 Ų18956.4 Ų56.488%0.88333%0.325SS*.G310 helixtrans-49.1-30.2-173.6-62.5177.6164.200114.6A107 G108E105-A107 PolarHBondContact O-N 2.82Å; E105-A107 VanDerWaalsContact O-N 3.1Å; E105-G108 PolarHBondContact O-N 2.72Å; E105-G108 VanDerWaalsContact O-N 3.09Å
106A68.5Low82.8Confident59 Ų5957.6 Ų57.649%0.48832%0.32SS..G310 helixtrans-63.1-11.1177.900000114.9D104 P152D104-A106 PolarHBondContact O-N 2.88Å; A106-P152 HydrophobicContact CB-CB 3.55Å; A106-P152 HydrophobicContact CB-CG 3.99Å
107A66.3Low82.9Confident3 Ų354 Ų543%0.02530%0.301CS..G310 helixtrans-69.7-33.7170.400000112.4R82 F86 F103 D104 E105 T109R82-A107 PolarHBondContact NH1-O 3.42Å; R82-A107 PolarHBondContact NH2-O 3.25Å; F86-A107 HydrophobicContact CB-CB 4.21Å; F86-A107 HydrophobicContact CD1-CB 4.11Å; F86-A107 HydrophobicContact CG-CB 4.19Å; F103-A107 HydrophobicContact CB-CB 3.75Å; F103-A107 HydrophobicContact CD1-CB 4.21Å; F103-A107 HydrophobicContact CG-CB 4.02Å; D104-A107 WeakPolarHBondContact O-CB 3.41Å; D104-A107 PolarHBondContact O-N 2.92Å; E105-A107 PolarHBondContact O-N 2.82Å; E105-A107 VanDerWaalsContact O-N 3.1Å; A107-T109 PolarHBondContact O-N 3.2Å
108G66.6Low82.8Confident63 Ų6351.6 Ų51.665%0.64929%0.288SS*.  trans60.421.6179.500000115.1E105E105-G108 PolarHBondContact O-N 2.72Å; E105-G108 VanDerWaalsContact O-N 3.09Å
109T62.4Low82.5Confident38 Ų3853.8 Ų53.823%0.23330%0.299CS..SBendtrans-113.5-178.9170.550.80000109A107 T111A107-T109 PolarHBondContact O-N 3.2Å; T109-T111 PolarHBondContact O-N 3.19Å
110E64.8Low81.4Confident161 Ų16156.5 Ų56.575%0.75233%0.327SS*.  trans-50.6135.4168.9-67.2-167.4157.200110.5L112E110-L112 PolarHBondContact O-N 3.29Å; E110-L112 VanDerWaalsContact O-N 3.1Å
111T81.1Confident80Confident79 Ų7959.6 Ų59.649%0.48535%0.349SS..SBendtrans-68.8-10.3-173.152.60000113.2E102 F103 T109E102-T111 CarbonylContact C-O 3.59Å; E102-T111 WeakPolarHBondContact CA-O 3.31Å; F103-T111 PolarHBondContact N-O 3.38Å; T109-T111 PolarHBondContact O-N 3.19Å
112L88.9Confident78.5Confident71 Ų7161.7 Ų61.737%0.37236%0.363SS..EExtended strand (participates in β ladder)trans-133100.5-173.7-64.8172.6000111.5K91 V100 E102 E110K91-L112 HydrophobicContact CB-CD2 4.49Å; K91-L112 HydrophobicContact CD-CD2 3.4Å; V100-L112 HydrophobicContact CG1-CB 4.41Å; V100-L112 HydrophobicContact CG1-CD2 4.39Å; E102-L112 HydrophobicContact CB-CD2 3.74Å; E102-L112 HydrophobicContact CG-CD2 3.98Å; E110-L112 PolarHBondContact O-N 3.29Å; E110-L112 VanDerWaalsContact O-N 3.1Å
113V89.7Confident77.3Confident19 Ų1961.4 Ų61.412%0.11537%0.367CS..EExtended strand (participates in β ladder)trans-104140178.9175.80000110.7V100 V101 F103 Y115V100-V113 WeakPolarHBondContact CA-O 3.14Å; V101-V113 PolarHBondContact N-O 3.03Å; V101-V113 PolarHBondContact O-N 3.22Å; F103-V113 HydrophobicContact CD2-CB 4.22Å; F103-V113 HydrophobicContact CD2-CG2 3.82Å; F103-V113 HydrophobicContact CE2-CB 3.78Å; F103-V113 HydrophobicContact CE2-CG1 4.45Å; F103-V113 HydrophobicContact CE2-CG2 3.63Å; V113-Y115 HydrophobicContact CB-CE2 4Å; V113-Y115 HydrophobicContact CG1-CD2 4.23Å; V113-Y115 HydrophobicContact CG1-CE2 3.57Å
114V91.1Very high76.8Confident48 Ų4865.7 Ų65.729%0.29139%0.386SS..EExtended strand (participates in β ladder)trans-105.2122.7-178.1-172.60000109.9T98 L99 V100T98-V114 HydrophobicContact CG2-CG1 3.52Å; L99-V114 CarbonylContact O-C 3.57Å; L99-V114 WeakPolarHBondContact O-CA 3.43Å; V100-V114 HydrophobicContact CG2-CG2 4.31Å
115Y90.5Very high76.8Confident11 Ų1166.2 Ų66.24%0.04339%0.386CS..EExtended strand (participates in β ladder)trans-106.6127.1177.4-66.8-90.4000109.6A77 K78 T98 L99 V101 F103 V113 E125 I126A77-Y115 HydrophobicContact CB-CE2 4.2Å; K78-Y115 WeakPolarHBondContact O-CE1 3.23Å; K78-Y115 PolarHBondContact O-OH 2.93Å; T98-Y115 CarbonylContact C-O 3.59Å; T98-Y115 VanDerWaalsContact CA-O 3.25Å; T98-Y115 WeakPolarHBondContact CA-O 3.48Å; T98-Y115 WeakPolarHBondContact CG2-O 3.44Å; L99-Y115 PolarHBondContact N-O 3.46Å; L99-Y115 PolarHBondContact O-N 3.42Å; V101-Y115 HydrophobicContact CB-CD2 4.27Å; V101-Y115 HydrophobicContact CB-CE2 3.94Å; V101-Y115 HydrophobicContact CG2-CD2 3.78Å; V101-Y115 HydrophobicContact CG2-CE2 3.81Å; F103-Y115 WeakPolarHBondContact CZ-OH 3.27Å; V113-Y115 HydrophobicContact CB-CE2 4Å; V113-Y115 HydrophobicContact CG1-CD2 4.23Å; V113-Y115 HydrophobicContact CG1-CE2 3.57Å; Y115-E125 HydrophobicContact CD1-CB 4.06Å; Y115-E125 WeakPolarHBondContact CD1-OE2 3.12Å; Y115-E125 HydrophobicContact CE1-CB 4.13Å; Y115-I126 HydrophobicContact CD1-CD1 4.39Å; Y115-I126 HydrophobicContact CD1-CG1 4.3Å; Y115-I126 HydrophobicContact CD2-CD1 3.96Å; Y115-I126 HydrophobicContact CD2-CG1 4.37Å; Y115-I126 HydrophobicContact CG-CD1 3.82Å; Y115-I126 HydrophobicContact CG-CG1 4.19Å
116H87.3Confident77.6Confident119 Ų11957.5 Ų57.555%0.55135%0.346SS*.  trans-107.3133.9-173-70.2-70.6000112.2T98 S121T98-H116 WeakPolarHBondContact CG2-ND1 3.08Å; T98-H116 PolarHBondContact OG1-ND1 3.43Å; T98-H116 VanDerWaalsContact OG1-ND1 3.13Å; H116-S121 PolarHBondContact O-OG 3.18Å; H116-S121 VanDerWaalsContact O-OG 3.14Å
117D83.1Confident78.7Confident64 Ų6454.7 Ų54.734%0.34232%0.323SS..  trans47.659.2-175-168.130.1000115.4N97 L119 G120 S121N97-D117 WeakPolarHBondContact CB-OD1 3.4Å; N97-D117 PolarHBondContact ND2-OD1 2.78Å; N97-D117 PolarHBondContact O-N 3.27Å; D117-L119 PolarHBondContact O-N 2.71Å; D117-G120 PolarHBondContact O-N 3.01Å; D117-G120 PolarHBondContact OD1-N 3.06Å; D117-G120 VanDerWaalsContact OD2-CA 3.3Å; D117-G120 WeakPolarHBondContact OD2-CA 3.38Å; D117-G120 PolarHBondContact OD2-N 2.92Å; D117-S121 PolarHBondContact O-N 3.34Å; D117-S121 VanDerWaalsContact O-N 3.11Å; D117-S121 PolarHBondContact O-OG 2.93Å
118V82.5Confident80Confident9 Ų955.4 Ų55.46%0.05533%0.328CS..THydrogen-bonded Turntrans-64.20.7-177.2-51.40000114.9L67 N97 L99 I126 W211L67-V118 HydrophobicContact CD1-CG2 3.75Å; N97-V118 WeakPolarHBondContact O-CG2 3.23Å; N97-V118 PolarHBondContact O-N 3.49Å; L99-V118 HydrophobicContact CB-CG1 4.22Å; L99-V118 HydrophobicContact CD1-CB 4.45Å; L99-V118 HydrophobicContact CD1-CG1 4.13Å; L99-V118 HydrophobicContact CD1-CG2 3.86Å; L99-V118 HydrophobicContact CG-CG1 4.02Å; L99-V118 HydrophobicContact CG-CG2 3.99Å; V118-I126 HydrophobicContact CG1-CD1 4.03Å; V118-W211 HydrophobicContact CB-CH2 4.43Å; V118-W211 HydrophobicContact CB-CZ2 3.98Å; V118-W211 HydrophobicContact CG2-CH2 4.01Å; V118-W211 HydrophobicContact CG2-CZ2 3.59Å
119L82.3Confident81.3Confident56 Ų5654.2 Ų54.229%0.29331%0.307SS..THydrogen-bonded Turntrans-107.1-25.3176-58.2-172.8000113.1L67 N97 D117 L215L67-L119 HydrophobicContact CD1-CG 4.45Å; L67-L119 HydrophobicContact CD2-CD2 4.36Å; N97-L119 HydrophobicContact CB-CG 4.34Å; D117-L119 PolarHBondContact O-N 2.71Å; L119-L215 HydrophobicContact CD2-CD1 4.34Å; L119-L215 HydrophobicContact CD2-CD2 4.46Å
120G69.5Low82.7Confident57 Ų5759.1 Ų59.159%0.58833%0.328SS*.THydrogen-bonded Turntrans-113.4-30.5-173.800000115.9D117D117-G120 PolarHBondContact O-N 3.01Å; D117-G120 PolarHBondContact OD1-N 3.06Å; D117-G120 VanDerWaalsContact OD2-CA 3.3Å; D117-G120 WeakPolarHBondContact OD2-CA 3.38Å; D117-G120 PolarHBondContact OD2-N 2.92Å
121S61.5Low84.1Confident75 Ų7553.3 Ų53.352%0.52431%0.307SS..SBendtrans-89.3-54.8-168.963.40000114.1H116 D117H116-S121 PolarHBondContact O-OG 3.18Å; H116-S121 VanDerWaalsContact O-OG 3.14Å; D117-S121 PolarHBondContact O-N 3.34Å; D117-S121 VanDerWaalsContact O-N 3.11Å; D117-S121 PolarHBondContact O-OG 2.93Å
122C62Low84.7Confident44 Ų4450 Ų5030%0.29729%0.287SS..  trans-153.8102.1177.7-173.10000111.3F124 E125C122-F124 PolarHBondContact O-N 3.12Å; C122-E125 HydrophobicContact CB-CG 3.86Å; C122-E125 PolarHBondContact O-N 2.67Å
123P69.1Low84.9Confident57 Ų5749.8 Ų49.837%0.3729%0.288SS..THydrogen-bonded Turntrans-73.36.9-173.732-37.6000114.2P209P123-P209 WeakPolarHBondContact O-CD 3.37Å
124F80.8Confident85Confident99 Ų9949.7 Ų49.743%0.43429%0.288SS..THydrogen-bonded Turntrans-113.9-6.4-176.3-54.3-60.2000113.8Y85 C122 I126 L207Y85-F124 VanDerWaalsContact CE1-O 3.3Å; Y85-F124 WeakPolarHBondContact CE1-O 3.48Å; Y85-F124 PolarHBondContact OH-O 2.8Å; C122-F124 PolarHBondContact O-N 3.12Å; F124-I126 PolarHBondContact O-N 3.11Å; F124-L207 HydrophobicContact CD1-CB 3.99Å; F124-L207 HydrophobicContact CE1-CB 4.4Å
125E88.4Confident85.1Confident69 Ų6953.7 Ų53.732%0.32231%0.308SS..SBendtrans-66.1-27.7179.2-69.5-179.1170.500113.3A77 K78 Y115 C122A77-E125 VanDerWaalsContact CA-O 3.31Å; A77-E125 WeakPolarHBondContact CA-O 3.35Å; K78-E125 PolarHBondContact N-O 3.06Å; Y115-E125 HydrophobicContact CD1-CB 4.06Å; Y115-E125 WeakPolarHBondContact CD1-OE2 3.12Å; Y115-E125 HydrophobicContact CE1-CB 4.13Å; C122-E125 HydrophobicContact CB-CG 3.86Å; C122-E125 PolarHBondContact O-N 2.67Å
126I92.1Very high85.1Confident6 Ų657.1 Ų57.13%0.03133%0.326CS..EExtended strand (participates in β ladder)trans-123.2124.3176.8-59.9174.2000108.4V75 A77 L99 V101 Y115 V118 F124 P209 W211V75-I126 HydrophobicContact CB-CG2 3.87Å; V75-I126 HydrophobicContact CG1-CG2 3.75Å; V75-I126 HydrophobicContact CG2-CG2 4.19Å; A77-I126 HydrophobicContact CB-CG1 4.28Å; L99-I126 HydrophobicContact CB-CD1 4.22Å; L99-I126 HydrophobicContact CD1-CD1 3.79Å; V101-I126 HydrophobicContact CG2-CD1 3.97Å; V101-I126 HydrophobicContact CG2-CG1 4.46Å; Y115-I126 HydrophobicContact CD1-CD1 4.39Å; Y115-I126 HydrophobicContact CD1-CG1 4.3Å; Y115-I126 HydrophobicContact CD2-CD1 3.96Å; Y115-I126 HydrophobicContact CD2-CG1 4.37Å; Y115-I126 HydrophobicContact CG-CD1 3.82Å; Y115-I126 HydrophobicContact CG-CG1 4.19Å; V118-I126 HydrophobicContact CG1-CD1 4.03Å; F124-I126 PolarHBondContact O-N 3.11Å; I126-P209 VanDerWaalsContact O-CA 3.32Å; I126-P209 WeakPolarHBondContact O-CA 3.25Å; I126-W211 HydrophobicContact CB-CH2 4.23Å; I126-W211 HydrophobicContact CD1-CH2 4.38Å; I126-W211 HydrophobicContact CG2-CH2 4Å; I126-W211 HydrophobicContact CG2-CZ3 4.48Å
127V93.6Very high85.5Confident0 Ų051.9 Ų51.90%030%0.303CS..EExtended strand (participates in β ladder)trans-126.3143.7-173.3167.80000110V75 L76 Y85 D129 R205 L206 L207 R208V75-V127 CarbonylContact C-O 3.6Å; V75-V127 WeakPolarHBondContact CA-O 3.42Å; V75-V127 WeakPolarHBondContact CB-O 3.24Å; L76-V127 HydrophobicContact CB-CB 4.31Å; L76-V127 PolarHBondContact N-O 2.85Å; L76-V127 PolarHBondContact O-N 3.3Å; Y85-V127 HydrophobicContact CD1-CG2 4.48Å; Y85-V127 HydrophobicContact CE1-CG2 3.9Å; V127-D129 PolarHBondContact O-N 3.46Å; V127-R205 HydrophobicContact CG1-CB 4.21Å; V127-L206 WeakPolarHBondContact CG1-O 3.44Å; V127-L207 HydrophobicContact CG2-CD2 4.15Å; V127-R208 WeakPolarHBondContact CA-O 3.48Å
128A93.6Very high85.9Confident18 Ų1855.9 Ų55.915%0.14932%0.317CS..EExtended strand (participates in β ladder)trans-67.5128.2177.300000112.2Q130 R208 P210A128-Q130 PolarHBondContact O-N 2.8Å; A128-R208 PolarHBondContact N-O 3.2Å; A128-P210 HydrophobicContact CB-CG 4.44Å
129D93.4Very high86.5Confident39 Ų3960.8 Ų60.821%0.20934%0.342CS..  trans-77.358.8174.5-174.321.6000111.7R74 V127 R205R74-D129 HydrophobicContact CB-CB 4.24Å; V127-D129 PolarHBondContact O-N 3.46Å; D129-R205 IonicContact OD1-CZ 3.72Å; D129-R205 IonicContact OD1-NE 2.67Å; D129-R205 PolarHBondContact OD1-NE 2.86Å; D129-R205 IonicContact OD1-NH2 2.94Å; D129-R205 PolarHBondContact OD1-NH2 2.85Å
130Q91.4Very high87Confident141 Ų14159.2 Ų59.266%0.65934%0.339SS*.  trans-129.9128-179.1-60-168.545.100112.3A128 P132 R205A128-Q130 PolarHBondContact O-N 2.8Å; Q130-P132 WeakPolarHBondContact O-CD 3.4Å; Q130-R205 VanDerWaalsContact C-CD 3.45Å; Q130-R205 WeakPolarHBondContact O-CD 3.22Å
131A94Very high88.2Confident38 Ų3858.8 Ų58.831%0.31432%0.322SS..  trans-71.9112.2-179.300000111.6R201A131-R201 PolarHBondContact O-NH2 2.88Å
132P94.5Very high89.8Confident10 Ų1056.8 Ų56.87%0.06531%0.307CS..  trans-65.1151.9-166.227.8-36.9000112.9Q130 V137 R201 I204 L206Q130-P132 WeakPolarHBondContact O-CD 3.4Å; P132-V137 HydrophobicContact CB-CG2 3.95Å; P132-V137 HydrophobicContact CG-CG2 3.74Å; P132-R201 VanDerWaalsContact O-CZ 3.28Å; P132-R201 PolarHBondContact O-NE 2.81Å; P132-R201 PolarHBondContact O-NH2 3.41Å; P132-I204 VanDerWaalsContact CD-O 3.28Å; P132-I204 WeakPolarHBondContact CD-O 3.37Å; P132-I204 HydrophobicContact CG-CD1 3.81Å; P132-I204 HydrophobicContact CG-CG1 4Å; P132-L206 HydrophobicContact CB-CD1 3.63Å; P132-L206 HydrophobicContact CB-CG 3.68Å; P132-L206 HydrophobicContact CG-CG 4.13Å
133V93.1Very high91.4Very high66 Ų6654.7 Ų54.740%0.429%0.293SS..  trans-63.8137.3170.6-178.40000108.5D135 L136V133-D135 HydrophobicContact CG1-CB 4.31Å; V133-D135 PolarHBondContact O-N 2.89Å; V133-L136 HydrophobicContact CB-CD1 4Å; V133-L136 HydrophobicContact CB-CG 4.14Å; V133-L136 HydrophobicContact CG2-CD1 4.36Å; V133-L136 WeakPolarHBondContact O-CB 3.07Å; V133-L136 PolarHBondContact O-N 3.25Å
134P91.9Very high92.6Very high18 Ų1852 Ų5212%0.11728%0.276CS..G310 helixtrans-56.3-39.3-174.5-27.137.5000113.2L136 V137 M164 V167 F169P134-L136 PolarHBondContact O-N 3.02Å; P134-V137 PolarHBondContact O-N 3.01Å; P134-M164 HydrophobicContact CB-CE 4.1Å; P134-M164 HydrophobicContact CB-SD 4.07Å; P134-V167 HydrophobicContact CB-CG1 4.23Å; P134-V167 HydrophobicContact CG-CG1 3.73Å; P134-V167 HydrophobicContact CG-CG2 4.49Å; P134-F169 HydrophobicContact CB-CZ 4.32Å
135D92.3Very high93.2Very high131 Ų13147.3 Ų47.370%0.70126%0.255SS*.G310 helixtrans-60.6-15.9178.8-41.7-11.1000113.8V133V133-D135 HydrophobicContact CG1-CB 4.31Å; V133-D135 PolarHBondContact O-N 2.89Å
136L91.4Very high93.4Very high83 Ų8346.8 Ų46.844%0.43525%0.25SS..G310 helixtrans-91.4-5.6175.3-60.3174.5000113.4V133 P134 L206V133-L136 HydrophobicContact CB-CD1 4Å; V133-L136 HydrophobicContact CB-CG 4.14Å; V133-L136 HydrophobicContact CG2-CD1 4.36Å; V133-L136 WeakPolarHBondContact O-CB 3.07Å; V133-L136 PolarHBondContact O-N 3.25Å; P134-L136 PolarHBondContact O-N 3.02Å; L136-L206 HydrophobicContact CB-CD1 4Å; L136-L206 HydrophobicContact CD1-CD1 4.35Å
137V94.1Very high93.3Very high9 Ų950.9 Ų50.96%0.05527%0.265CS..  trans-113.8104.4-174.3-175.30000109.3P132 P134 V143 V159 F169 I204 L206P132-V137 HydrophobicContact CB-CG2 3.95Å; P132-V137 HydrophobicContact CG-CG2 3.74Å; P134-V137 PolarHBondContact O-N 3.01Å; V137-V143 HydrophobicContact CG1-CG1 4.49Å; V137-V159 HydrophobicContact CG1-CG1 4.28Å; V137-V159 HydrophobicContact CG1-CG2 3.74Å; V137-F169 HydrophobicContact CB-CD1 4.37Å; V137-F169 HydrophobicContact CB-CE1 3.71Å; V137-F169 HydrophobicContact CB-CZ 4.31Å; V137-F169 HydrophobicContact CG1-CD1 3.73Å; V137-F169 HydrophobicContact CG1-CE1 3.58Å; V137-F169 HydrophobicContact CG1-CZ 4.45Å; V137-F169 HydrophobicContact CG2-CE1 4.31Å; V137-F169 HydrophobicContact CG2-CZ 4.47Å; V137-I204 HydrophobicContact CG1-CD1 4.41Å; V137-I204 HydrophobicContact CG2-CD1 4.18Å; V137-L206 HydrophobicContact CG2-CD2 4.32Å
138K92.9Very high92.9Very high149 Ų14955.3 Ų55.365%0.64829%0.289SS*.  trans-97.4153.1178.2-57.7-177.8179.6-177.10111.2M141K138-M141 HydrophobicContact CB-CG 4.05Å; K138-M141 HydrophobicContact CB-SD 3.73Å; K138-M141 HydrophobicContact CG-SD 4.08Å; K138-M141 PolarHBondContact N-SD 3.49Å; K138-M141 WeakPolarHBondContact O-CB 3.15Å; K138-M141 WeakPolarHBondContact O-CG 3.29Å; K138-M141 PolarHBondContact O-N 2.93Å
139I94.9Very high92.5Very high111 Ų11157 Ų5757%0.56930%0.302SS*.THydrogen-bonded Turntrans-58.2142.2166.5-62.2172.5000108.9M141 V160 V162I139-M141 VanDerWaalsContact C-N 3.32Å; I139-M141 PolarHBondContact O-N 3.03Å; I139-V160 WeakPolarHBondContact CG2-O 3.5Å; I139-V162 HydrophobicContact CG1-CG2 4.12Å
140G93.1Very high92Very high23 Ų2362.3 Ų62.324%0.23733%0.331CS..THydrogen-bonded Turntrans88.4-20.6-174.200000114.8Q158 V159G140-Q158 PolarHBondContact O-NE2 3.21Å; G140-V159 PolarHBondContact N-O 3.33Å
141M94.9Very high91.6Very high48 Ų4858.1 Ų58.124%0.23631%0.311CS..  trans-68.7141.3179-69.1179.760.700112.1K138 I139 Q158 V159 L206K138-M141 HydrophobicContact CB-CG 4.05Å; K138-M141 HydrophobicContact CB-SD 3.73Å; K138-M141 HydrophobicContact CG-SD 4.08Å; K138-M141 PolarHBondContact N-SD 3.49Å; K138-M141 WeakPolarHBondContact O-CB 3.15Å; K138-M141 WeakPolarHBondContact O-CG 3.29Å; K138-M141 PolarHBondContact O-N 2.93Å; I139-M141 VanDerWaalsContact C-N 3.32Å; I139-M141 PolarHBondContact O-N 3.03Å; M141-Q158 WeakPolarHBondContact O-CA 3.31Å; M141-V159 PolarHBondContact O-N 2.8Å; M141-L206 HydrophobicContact CE-CD2 3.59Å
142V94.5Very high91.3Very high34 Ų3459.2 Ų59.221%0.20632%0.315CS..EExtended strand (participates in β ladder)trans-84133.9166.8-177.20000109.3L156 A157 M174 L207 L233V142-L156 HydrophobicContact CG1-CB 4.39Å; V142-L156 HydrophobicContact CG1-CD2 4.21Å; V142-A157 WeakPolarHBondContact CA-O 3.29Å; V142-M174 HydrophobicContact CG1-SD 4.37Å; V142-M174 HydrophobicContact CG2-SD 4.36Å; V142-L207 HydrophobicContact CB-CD1 4.43Å; V142-L207 HydrophobicContact CG1-CD1 4.01Å; V142-L233 HydrophobicContact CG2-CD2 4.04Å
143V94.8Very high91.1Very high0 Ų059.9 Ų59.90%032%0.318CS..EExtended strand (participates in β ladder)trans-130.3158.5178.7-65.90000110.1V137 A157 V159 L171 R205 L206V137-V143 HydrophobicContact CG1-CG1 4.49Å; V143-A157 WeakPolarHBondContact CG2-O 3.38Å; V143-A157 PolarHBondContact N-O 3.26Å; V143-A157 PolarHBondContact O-N 3.09Å; V143-V159 HydrophobicContact CG1-CG2 3.87Å; V143-V159 HydrophobicContact CG2-CG2 3.83Å; V143-L171 HydrophobicContact CG2-CD1 4.46Å; V143-L171 HydrophobicContact CG2-CD2 4.03Å; V143-R205 WeakPolarHBondContact CB-O 3.42Å; V143-L206 HydrophobicContact CG1-CD2 4.42Å
144C94.1Very high91.1Very high0 Ų057 Ų570%030%0.3CS..EExtended strand (participates in β ladder)trans-91.4123.2171.4-178.20000108.1Y85 F154 E155 I204 R205 L207Y85-C144 VanDerWaalsContact CD2-SG 3.51Å; Y85-C144 VanDerWaalsContact CG-SG 3.59Å; C144-F154 WeakPolarHBondContact SG-CB 3.17Å; C144-E155 CarbonylContact C-O 3.58Å; C144-E155 WeakPolarHBondContact CA-O 3.3Å; C144-I204 CarbonylContact O-C 3.43Å; C144-I204 WeakPolarHBondContact O-CA 3.37Å; C144-R205 HydrophobicContact CB-CB 4.27Å; C144-R205 PolarHBondContact N-O 2.82Å; C144-R205 PolarHBondContact O-N 2.87Å; C144-L207 HydrophobicContact CB-CD2 3.86Å
145A94.8Very high91.1Very high0 Ų057.2 Ų57.20%030%0.3CS..EExtended strand (participates in β ladder)trans-148141.9-168.100000112.9F154 E155 A157 L171 F173 N203 I204A145-F154 CarbonylContact O-C 3.35Å; A145-E155 PolarHBondContact N-O 3.29Å; A145-E155 PolarHBondContact O-N 2.98Å; A145-A157 HydrophobicContact CB-CB 4.36Å; A145-L171 HydrophobicContact CB-CD1 3.41Å; A145-L171 VanDerWaalsContact CB-CD1 3.41Å; A145-F173 HydrophobicContact CB-CE1 4.26Å; A145-F173 HydrophobicContact CB-CZ 4.13Å; A145-F173 WeakPolarHBondContact O-CE1 3.26Å; A145-N203 WeakPolarHBondContact CA-O 3.44Å; A145-I204 HydrophobicContact CB-CG2 3.95Å
146R92.7Very high91.2Very high59 Ų5953.7 Ų53.722%0.22328%0.281CS..  trans-92.8134.3170.460.3-174.6-177.6158.810.8110.8N148 A149 N153 F154 N203R146-N148 WeakPolarHBondContact CG-O 3.43Å; R146-A149 VanDerWaalsContact CZ-O 3.26Å; R146-A149 PolarHBondContact NH1-O 3.3Å; R146-N153 WeakPolarHBondContact CB-O 3.4Å; R146-F154 HydrophobicContact CB-CD1 4.16Å; R146-F154 HydrophobicContact CB-CE1 4.43Å; R146-F154 HydrophobicContact CB-CG 4.22Å; R146-F154 HydrophobicContact CG-CD1 4.32Å; R146-F154 HydrophobicContact CG-CE1 4.12Å; R146-F154 HydrophobicContact CG-CZ 4.41Å; R146-N203 HydrophobicContact CG-CB 3.82Å; R146-N203 PolarHBondContact N-O 2.85Å; R146-N203 VanDerWaalsContact NE-CG 3.33Å; R146-N203 PolarHBondContact NE-OD1 2.89Å; R146-N203 VanDerWaalsContact NE-OD1 3.1Å; R146-N203 PolarHBondContact NH2-OD1 2.99Å
147R89.3Confident91.3Very high92 Ų9249.8 Ų49.835%0.34726%0.26SS..SBendtrans-64.4-53.9-179.8-54.5179.8-175-144.2-2.5110E155 F173 I197R147-E155 WeakPolarHBondContact CD-OE1 3.26Å; R147-E155 WeakPolarHBondContact CG-OE1 3.39Å; R147-E155 IonicContact CZ-OE1 3.77Å; R147-E155 IonicContact CZ-OE2 2.71Å; R147-E155 IonicContact NE-OE1 2.58Å; R147-E155 PolarHBondContact NE-OE1 2.78Å; R147-E155 IonicContact NE-OE2 2.82Å; R147-E155 PolarHBondContact NE-OE2 3.33Å; R147-E155 IonicContact NH2-OE1 3.72Å; R147-E155 IonicContact NH2-OE2 3.08Å; R147-E155 PolarHBondContact NH2-OE2 3.41Å; R147-F173 HydrophobicContact CB-CE1 4.42Å; R147-F173 HydrophobicContact CB-CZ 4.16Å; R147-F173 HydrophobicContact CG-CD1 3.76Å; R147-F173 HydrophobicContact CG-CD2 4.26Å; R147-F173 HydrophobicContact CG-CE1 3.48Å; R147-F173 VanDerWaalsContact CG-CE1 3.48Å; R147-F173 HydrophobicContact CG-CE2 4.02Å; R147-F173 HydrophobicContact CG-CG 4.15Å; R147-F173 HydrophobicContact CG-CZ 3.63Å; R147-I197 HydrophobicContact CB-CD1 3.97Å; R147-I197 HydrophobicContact CG-CD1 4.19Å
148N85.9Confident91.4Very high93 Ų9352.8 Ų52.850%0.49727%0.274SS..SBendtrans-104.5158.1176.7-67.3-26.5000111.5R146 D150 Q151R146-N148 WeakPolarHBondContact CG-O 3.43Å; N148-D150 PolarHBondContact O-N 2.77Å; N148-Q151 HydrophobicContact CB-CG 4.25Å
149A84.4Confident91.5Very high52 Ų5245.8 Ų45.843%0.4324%0.243SC..THydrogen-bonded Turntrans-73.3-19.1178.100000113.3R146R146-A149 VanDerWaalsContact CZ-O 3.26Å; R146-A149 PolarHBondContact NH1-O 3.3Å
150D83.7Confident91.5Very high151 Ų15143 Ų4381%0.80723%0.231SC*.THydrogen-bonded Turntrans-96.1-8-175.6-39.5-77.4000112.4N148N148-D150 PolarHBondContact O-N 2.77Å
151Q83Confident91.5Very high53 Ų5342.3 Ų42.325%0.24822%0.224CC..  trans-76.5133.6171.9-82.9171.8-35.200110.7N148N148-Q151 HydrophobicContact CB-CG 4.25Å
152P86.6Confident91.5Very high61 Ų6142.5 Ų42.540%0.39623%0.228SC..SBendtrans-83.4-23.1177.833.6-35000113A106A106-P152 HydrophobicContact CB-CB 3.55Å; A106-P152 HydrophobicContact CB-CG 3.99Å
153N90.1Very high91.5Very high25 Ų2542.9 Ų42.913%0.13423%0.232CC..  trans-85.8151.1178.662.6-43.3000111.6D84 Y85 F86 R146D84-N153 HydrophobicContact CB-CB 4.18Å; D84-N153 PolarHBondContact OD2-ND2 3.47Å; Y85-N153 CarbonylContact O-C 3.56Å; Y85-N153 WeakPolarHBondContact O-CA 3.44Å; F86-N153 HydrophobicContact CD1-CB 4.37Å; F86-N153 HydrophobicContact CE1-CB 3.8Å; F86-N153 HydrophobicContact CE2-CB 4.35Å; F86-N153 HydrophobicContact CZ-CB 3.77Å; R146-N153 WeakPolarHBondContact CB-O 3.4Å
154F93.9Very high91.3Very high5 Ų547.9 Ų47.92%0.02226%0.257CS..BIsolated β-bridgetrans-119.7128.8170.2-66.3-118.2000109.2L76 Y85 C144 A145 R146 R205L76-F154 HydrophobicContact CD1-CB 4.07Å; L76-F154 HydrophobicContact CD1-CD1 3.84Å; L76-F154 HydrophobicContact CD1-CD2 3.72Å; L76-F154 HydrophobicContact CD1-CE1 4.13Å; L76-F154 HydrophobicContact CD1-CE2 4.01Å; L76-F154 HydrophobicContact CD1-CG 3.65Å; L76-F154 HydrophobicContact CD1-CZ 4.21Å; L76-F154 HydrophobicContact CD2-CD2 4.02Å; L76-F154 HydrophobicContact CD2-CE2 3.87Å; L76-F154 HydrophobicContact CD2-CZ 4.48Å; Y85-F154 PolarHBondContact N-O 3.21Å; Y85-F154 PolarHBondContact O-N 2.87Å; C144-F154 WeakPolarHBondContact SG-CB 3.17Å; A145-F154 CarbonylContact O-C 3.35Å; R146-F154 HydrophobicContact CB-CD1 4.16Å; R146-F154 HydrophobicContact CB-CE1 4.43Å; R146-F154 HydrophobicContact CB-CG 4.22Å; R146-F154 HydrophobicContact CG-CD1 4.32Å; R146-F154 HydrophobicContact CG-CE1 4.12Å; R146-F154 HydrophobicContact CG-CZ 4.41Å; F154-R205 HydrophobicContact CE1-CG 4.26Å
155E92.3Very high91.1Very high23 Ų2356 Ų5611%0.10730%0.297CS..EExtended strand (participates in β ladder)trans-97.8169.7179.5-64.6170.4-129.800111.1C144 A145 R147 F173C144-E155 CarbonylContact C-O 3.58Å; C144-E155 WeakPolarHBondContact CA-O 3.3Å; A145-E155 PolarHBondContact N-O 3.29Å; A145-E155 PolarHBondContact O-N 2.98Å; R147-E155 WeakPolarHBondContact CD-OE1 3.26Å; R147-E155 WeakPolarHBondContact CG-OE1 3.39Å; R147-E155 IonicContact CZ-OE1 3.77Å; R147-E155 IonicContact CZ-OE2 2.71Å; R147-E155 IonicContact NE-OE1 2.58Å; R147-E155 PolarHBondContact NE-OE1 2.78Å; R147-E155 IonicContact NE-OE2 2.82Å; R147-E155 PolarHBondContact NE-OE2 3.33Å; R147-E155 IonicContact NH2-OE1 3.72Å; R147-E155 IonicContact NH2-OE2 3.08Å; R147-E155 PolarHBondContact NH2-OE2 3.41Å; E155-F173 HydrophobicContact CB-CD1 3.91Å; E155-F173 HydrophobicContact CB-CE1 4.07Å
156L93.8Very high90.7Very high57 Ų5760.9 Ų60.930%0.29833%0.328SS..EExtended strand (participates in β ladder)trans-84129.3171.2-67.4178.8000111.2Y85 V142 M174 L207Y85-L156 HydrophobicContact CE2-CD2 3.81Å; Y85-L156 HydrophobicContact CE2-CG 4.25Å; V142-L156 HydrophobicContact CG1-CB 4.39Å; V142-L156 HydrophobicContact CG1-CD2 4.21Å; L156-M174 PolarHBondContact O-N 3.14Å; L156-L207 HydrophobicContact CD2-CD1 3.95Å; L156-L207 HydrophobicContact CD2-CD2 3.93Å; L156-L207 HydrophobicContact CD2-CG 4.47Å
157A93.9Very high90.7Very high0 Ų060.4 Ų60.40%033%0.332CS..EExtended strand (participates in β ladder)trans-141.7144.9178.200000112.1V142 V143 A145 L171 K172 F173V142-A157 WeakPolarHBondContact CA-O 3.29Å; V143-A157 WeakPolarHBondContact CG2-O 3.38Å; V143-A157 PolarHBondContact N-O 3.26Å; V143-A157 PolarHBondContact O-N 3.09Å; A145-A157 HydrophobicContact CB-CB 4.36Å; A157-L171 HydrophobicContact CB-CB 4.01Å; A157-L171 HydrophobicContact CB-CD1 4.2Å; A157-K172 CarbonylContact C-O 3.52Å; A157-K172 WeakPolarHBondContact CA-O 3.45Å; A157-F173 HydrophobicContact CB-CD1 3.89Å; A157-F173 HydrophobicContact CB-CD2 4.29Å; A157-F173 HydrophobicContact CB-CE1 4Å; A157-F173 HydrophobicContact CB-CE2 4.38Å; A157-F173 HydrophobicContact CB-CG 4.03Å; A157-F173 HydrophobicContact CB-CZ 4.24Å
158Q95Very high90.9Very high73 Ų7357 Ų5734%0.34132%0.323SS..EExtended strand (participates in β ladder)trans-90135.4174.7-167.9176.135.400110.8G140 M141 V160 L171 K172G140-Q158 PolarHBondContact O-NE2 3.21Å; M141-Q158 WeakPolarHBondContact O-CA 3.31Å; Q158-V160 PolarHBondContact O-N 3.22Å; Q158-L171 WeakPolarHBondContact O-CA 3.47Å; Q158-K172 PolarHBondContact N-O 2.99Å; Q158-K172 PolarHBondContact O-N 3.05Å
159V96.1Very high91.4Very high1 Ų152.6 Ų52.61%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-75.4117173.9-177.90000109.5V137 G140 M141 V143 V162 F169 L171V137-V159 HydrophobicContact CG1-CG1 4.28Å; V137-V159 HydrophobicContact CG1-CG2 3.74Å; G140-V159 PolarHBondContact N-O 3.33Å; M141-V159 PolarHBondContact O-N 2.8Å; V143-V159 HydrophobicContact CG1-CG2 3.87Å; V143-V159 HydrophobicContact CG2-CG2 3.83Å; V159-V162 HydrophobicContact CG1-CG2 4.06Å; V159-F169 HydrophobicContact CG1-CD1 4.35Å; V159-L171 HydrophobicContact CB-CD2 4.35Å; V159-L171 HydrophobicContact CG2-CD2 3.83Å
160V95.4Very high92Very high52 Ų5252.7 Ų52.732%0.31529%0.291SS..EExtended strand (participates in β ladder)trans-101.4-33.4-179.3-178.80000111.4I139 Q158 Q170 K172 F196I139-V160 WeakPolarHBondContact CG2-O 3.5Å; Q158-V160 PolarHBondContact O-N 3.22Å; V160-Q170 PolarHBondContact N-O 2.87Å; V160-K172 HydrophobicContact CG2-CB 3.63Å; V160-F196 HydrophobicContact CB-CD1 4.4Å; V160-F196 HydrophobicContact CB-CE1 4.46Å; V160-F196 HydrophobicContact CG1-CD1 4.26Å; V160-F196 HydrophobicContact CG1-CE1 4.03Å; V160-F196 HydrophobicContact CG2-CD1 4.04Å; V160-F196 HydrophobicContact CG2-CE1 3.94Å
161G93.1Very high92.5Very high9 Ų945.5 Ų45.59%0.09325%0.252CS..EExtended strand (participates in β ladder)trans-151.1157.1-178.800000112.5F169 Q170G161-F169 CarbonylContact O-C 3.59Å; G161-F169 WeakPolarHBondContact O-CA 3.4Å; G161-Q170 PolarHBondContact N-O 3.11Å; G161-Q170 PolarHBondContact O-N 3.02Å
162V94.8Very high93.1Very high53 Ų5346.8 Ų46.832%0.32126%0.257SS..EExtended strand (participates in β ladder)trans-132124.6178.7-172.30000109I139 V159 M164 F169I139-V162 HydrophobicContact CG1-CG2 4.12Å; V159-V162 HydrophobicContact CG1-CG2 4.06Å; V162-M164 HydrophobicContact CG1-SD 4.14Å; V162-F169 HydrophobicContact CB-CD1 4.45Å; V162-F169 HydrophobicContact CG1-CD1 4.03Å; V162-F169 HydrophobicContact CG1-CE1 3.73Å; V162-F169 HydrophobicContact CG2-CD1 3.95Å; V162-F169 HydrophobicContact CG2-CE1 4.16Å
163S93Very high93.4Very high41 Ų4144.7 Ų44.729%0.28724%0.242SC..EExtended strand (participates in β ladder)trans-107.6142.6166.6-177.40000109.2P166 V167 S168S163-P166 CarbonylContact C-O 3.54Å; S163-V167 VanDerWaalsContact O-CA 3.31Å; S163-V167 WeakPolarHBondContact O-CA 3.34Å; S163-S168 PolarHBondContact N-O 2.89Å; S163-S168 PolarHBondContact O-N 2.84Å
164M91.6Very high93.2Very high105 Ų10548.1 Ų48.152%0.51726%0.258SS..EExtended strand (participates in β ladder)trans-107-4.6-177-65.1-64.8-82.300113.3P134 V162 P166P134-M164 HydrophobicContact CB-CE 4.1Å; P134-M164 HydrophobicContact CB-SD 4.07Å; V162-M164 HydrophobicContact CG1-SD 4.14Å; M164-P166 CarbonylContact C-O 3.6Å
165M88.9Confident92.3Very high171 Ų17152.5 Ų52.584%0.84229%0.287SS*.THydrogen-bonded Turntrans-146.885.6-175-164.563.360.500112.6
166P86.7Confident90.7Very high102 Ų10256.4 Ų56.466%0.66231%0.309SS*.THydrogen-bonded Turncis-70.9168.1-5.133.4-37.3000112.3S163 M164 S168S163-P166 CarbonylContact C-O 3.54Å; M164-P166 CarbonylContact C-O 3.6Å; P166-S168 PolarHBondContact O-N 3.21Å; P166-S168 VanDerWaalsContact O-N 3.12Å
167V93Very high88.5Confident49 Ų4959.4 Ų59.430%0.29733%0.329SS..EExtended strand (participates in β ladder)trans-71.9106.3177-177.90000110.6P134 S163 F169 R201P134-V167 HydrophobicContact CB-CG1 4.23Å; P134-V167 HydrophobicContact CG-CG1 3.73Å; P134-V167 HydrophobicContact CG-CG2 4.49Å; S163-V167 VanDerWaalsContact O-CA 3.31Å; S163-V167 WeakPolarHBondContact O-CA 3.34Å; V167-F169 HydrophobicContact CG1-CE2 3.9Å; V167-F169 HydrophobicContact CG1-CZ 4.03Å; V167-R201 HydrophobicContact CG1-CB 4.08Å
168S93.9Very high86Confident22 Ų2262 Ų6215%0.15435%0.351CS..EExtended strand (participates in β ladder)trans-142.2155.1177.558.20000111.2S163 P166 W198 V199S163-S168 PolarHBondContact N-O 2.89Å; S163-S168 PolarHBondContact O-N 2.84Å; P166-S168 PolarHBondContact O-N 3.21Å; P166-S168 VanDerWaalsContact O-N 3.12Å; S168-W198 WeakPolarHBondContact O-CZ3 3.36Å; S168-V199 WeakPolarHBondContact CA-O 3.38Å
169F96.1Very high83.3Confident0 Ų063.2 Ų63.20%037%0.365CS..EExtended strand (participates in β ladder)trans-121.5130.3-176.7-58.3-89.7000108.6P134 V137 V159 G161 V162 V167 L171 V199 R201 I204P134-F169 HydrophobicContact CB-CZ 4.32Å; V137-F169 HydrophobicContact CB-CD1 4.37Å; V137-F169 HydrophobicContact CB-CE1 3.71Å; V137-F169 HydrophobicContact CB-CZ 4.31Å; V137-F169 HydrophobicContact CG1-CD1 3.73Å; V137-F169 HydrophobicContact CG1-CE1 3.58Å; V137-F169 HydrophobicContact CG1-CZ 4.45Å; V137-F169 HydrophobicContact CG2-CE1 4.31Å; V137-F169 HydrophobicContact CG2-CZ 4.47Å; V159-F169 HydrophobicContact CG1-CD1 4.35Å; G161-F169 CarbonylContact O-C 3.59Å; G161-F169 WeakPolarHBondContact O-CA 3.4Å; V162-F169 HydrophobicContact CB-CD1 4.45Å; V162-F169 HydrophobicContact CG1-CD1 4.03Å; V162-F169 HydrophobicContact CG1-CE1 3.73Å; V162-F169 HydrophobicContact CG2-CD1 3.95Å; V162-F169 HydrophobicContact CG2-CE1 4.16Å; V167-F169 HydrophobicContact CG1-CE2 3.9Å; V167-F169 HydrophobicContact CG1-CZ 4.03Å; F169-L171 HydrophobicContact CB-CD2 3.91Å; F169-L171 HydrophobicContact CB-CG 4.44Å; F169-V199 PolarHBondContact N-O 3.49Å; F169-V199 PolarHBondContact O-N 3.44Å; F169-R201 HydrophobicContact CE2-CB 4.06Å; F169-R201 HydrophobicContact CE2-CG 4.32Å; F169-I204 HydrophobicContact CD1-CD1 4.3Å; F169-I204 HydrophobicContact CD2-CD1 3.5Å; F169-I204 HydrophobicContact CD2-CG1 4.29Å; F169-I204 HydrophobicContact CE1-CD1 4.35Å; F169-I204 HydrophobicContact CE2-CD1 3.55Å; F169-I204 HydrophobicContact CE2-CG1 4.41Å; F169-I204 HydrophobicContact CG-CD1 3.91Å; F169-I204 HydrophobicContact CZ-CD1 3.99Å
170Q96Very high80.5Confident54 Ų5470.8 Ų70.825%0.25239%0.393SS..EExtended strand (participates in β ladder)trans-85.5119.7171.4-169.7178.35.400107.6V160 G161 F196 W198V160-Q170 PolarHBondContact N-O 2.87Å; G161-Q170 PolarHBondContact N-O 3.11Å; G161-Q170 PolarHBondContact O-N 3.02Å; Q170-F196 HydrophobicContact CG-CB 4.27Å; Q170-W198 HydrophobicContact CB-CD2 3.88Å; Q170-W198 HydrophobicContact CB-CE3 3.96Å; Q170-W198 HydrophobicContact CB-CH2 3.89Å; Q170-W198 HydrophobicContact CB-CZ2 3.78Å; Q170-W198 HydrophobicContact CB-CZ3 3.97Å; Q170-W198 HydrophobicContact CG-CD2 4.32Å; Q170-W198 HydrophobicContact CG-CZ2 4.26Å
171L95.9Very high77.8Confident0 Ų077.9 Ų77.90%042%0.423CS..EExtended strand (participates in β ladder)trans-115.7134.4-173.1-56.9-173.5000111.1V143 A145 A157 Q158 V159 F169 F173 F196 I197 V199 I204V143-L171 HydrophobicContact CG2-CD1 4.46Å; V143-L171 HydrophobicContact CG2-CD2 4.03Å; A145-L171 HydrophobicContact CB-CD1 3.41Å; A145-L171 VanDerWaalsContact CB-CD1 3.41Å; A157-L171 HydrophobicContact CB-CB 4.01Å; A157-L171 HydrophobicContact CB-CD1 4.2Å; Q158-L171 WeakPolarHBondContact O-CA 3.47Å; V159-L171 HydrophobicContact CB-CD2 4.35Å; V159-L171 HydrophobicContact CG2-CD2 3.83Å; F169-L171 HydrophobicContact CB-CD2 3.91Å; F169-L171 HydrophobicContact CB-CG 4.44Å; L171-F173 HydrophobicContact CB-CD2 4.4Å; L171-F173 HydrophobicContact CB-CE2 3.97Å; L171-F173 HydrophobicContact CD1-CE2 4.38Å; L171-F173 HydrophobicContact CD1-CZ 4.27Å; L171-F196 WeakPolarHBondContact O-CA 3.48Å; L171-I197 PolarHBondContact N-O 2.9Å; L171-I197 PolarHBondContact O-N 2.88Å; L171-V199 HydrophobicContact CD1-CB 3.77Å; L171-V199 HydrophobicContact CD1-CG1 4.04Å; L171-V199 HydrophobicContact CD1-CG2 3.81Å; L171-V199 HydrophobicContact CG-CB 4.18Å; L171-V199 HydrophobicContact CG-CG2 4.21Å; L171-I204 HydrophobicContact CD1-CG2 3.82Å
172K94.9Very high75.1Confident79 Ų7980.7 Ų80.734%0.34345%0.445SS..EExtended strand (participates in β ladder)trans-95.9107.1163.7170.7170.7176.1170.40107.6A157 Q158 V160 V194 F196A157-K172 CarbonylContact C-O 3.52Å; A157-K172 WeakPolarHBondContact CA-O 3.45Å; Q158-K172 PolarHBondContact N-O 2.99Å; Q158-K172 PolarHBondContact O-N 3.05Å; V160-K172 HydrophobicContact CG2-CB 3.63Å; K172-V194 HydrophobicContact CD-CG1 3.61Å; K172-V194 VanDerWaalsContact CE-CG1 3.5Å; K172-V194 HydrophobicContact CG-CG1 3.86Å; K172-F196 HydrophobicContact CB-CD1 4.13Å; K172-F196 HydrophobicContact CB-CE1 4.1Å; K172-F196 HydrophobicContact CD-CE1 4.32Å
173F92.2Very high72.3Confident18 Ų1882.9 Ų82.98%0.07947%0.469CS..EExtended strand (participates in β ladder)trans-67.2138.7175.2-77-95.4000109.9A145 R147 E155 A157 L171 I197 V199A145-F173 HydrophobicContact CB-CE1 4.26Å; A145-F173 HydrophobicContact CB-CZ 4.13Å; A145-F173 WeakPolarHBondContact O-CE1 3.26Å; R147-F173 HydrophobicContact CB-CE1 4.42Å; R147-F173 HydrophobicContact CB-CZ 4.16Å; R147-F173 HydrophobicContact CG-CD1 3.76Å; R147-F173 HydrophobicContact CG-CD2 4.26Å; R147-F173 HydrophobicContact CG-CE1 3.48Å; R147-F173 VanDerWaalsContact CG-CE1 3.48Å; R147-F173 HydrophobicContact CG-CE2 4.02Å; R147-F173 HydrophobicContact CG-CG 4.15Å; R147-F173 HydrophobicContact CG-CZ 3.63Å; E155-F173 HydrophobicContact CB-CD1 3.91Å; E155-F173 HydrophobicContact CB-CE1 4.07Å; A157-F173 HydrophobicContact CB-CD1 3.89Å; A157-F173 HydrophobicContact CB-CD2 4.29Å; A157-F173 HydrophobicContact CB-CE1 4Å; A157-F173 HydrophobicContact CB-CE2 4.38Å; A157-F173 HydrophobicContact CB-CG 4.03Å; A157-F173 HydrophobicContact CB-CZ 4.24Å; L171-F173 HydrophobicContact CB-CD2 4.4Å; L171-F173 HydrophobicContact CB-CE2 3.97Å; L171-F173 HydrophobicContact CD1-CE2 4.38Å; L171-F173 HydrophobicContact CD1-CZ 4.27Å; F173-I197 HydrophobicContact CD2-CD1 4.04Å; F173-I197 HydrophobicContact CD2-CG1 4.31Å; F173-I197 HydrophobicContact CE2-CB 4.09Å; F173-I197 HydrophobicContact CE2-CD1 3.95Å; F173-I197 HydrophobicContact CE2-CG1 4.26Å; F173-V199 HydrophobicContact CE2-CG2 4.4Å
174M86.1Confident69.4Low96 Ų9686.7 Ų86.747%0.47350%0.496SS..PPolyproline II helixtrans-85.8132179-62.2-175.569.200109.1V142 L156V142-M174 HydrophobicContact CG1-SD 4.37Å; V142-M174 HydrophobicContact CG2-SD 4.36Å; L156-M174 PolarHBondContact O-N 3.14Å
175P76.1Confident66.9Low98 Ų9887.7 Ų87.764%0.63651%0.507SS*.PPolyproline II helixtrans-67.5139.2178.530.1-35.4000109.8T177P175-T177 HydrophobicContact CB-CG2 4.16Å; P175-T177 HydrophobicContact CG-CG2 4.46Å; P175-T177 PolarHBondContact O-N 3.16Å
176N58.5Low64.3Low105 Ų10591.1 Ų91.156%0.56151%0.511SS*.  trans-82.762.1-170.6-146.3-9.2000111.6D83 D84 A178D83-N176 WeakPolarHBondContact CB-OD1 3.4Å; D84-N176 PolarHBondContact OD1-ND2 3.12Å; N176-A178 PolarHBondContact O-N 3.11Å
177T48Very low62Low119 Ų11990.2 Ų90.273%0.7351%0.512SS*.  trans-96.369.7-171.556.30000112.3P175P175-T177 HydrophobicContact CB-CG2 4.16Å; P175-T177 HydrophobicContact CG-CG2 4.46Å; P175-T177 PolarHBondContact O-N 3.16Å
178A40.3Very low59Low55 Ų5593.6 Ų93.646%0.45554%0.536SS..  trans-13567172.500000111.8N176 R180N176-A178 PolarHBondContact O-N 3.11Å; A178-R180 PolarHBondContact O-N 2.95Å
179P39.7Very low56.4Low98 Ų9897.4 Ų97.464%0.63657%0.569SS**  trans-67.891.6178.729.5-35.1000111.2H181 A182P179-H181 PolarHBondContact O-N 3.5Å; P179-A182 PolarHBondContact O-N 3.44Å
180R37.1Very low53.8Low161 Ų161101.6 Ų101.661%0.60860%0.598SS**THydrogen-bonded Turntrans-59.2126.3165.7-55.9-174.7-169.5-173.77.1107.4P80 D83 A178P80-R180 PolarHBondContact O-NH1 3.45Å; D83-R180 IonicContact OD1-NH2 3.55Å; A178-R180 PolarHBondContact O-N 2.95Å
181H37.9Very low51.6Low200 Ų200108 Ų10893%0.92663%0.628SS**THydrogen-bonded Turntrans72.543-175.9-53.8-91000118P179P179-H181 PolarHBondContact O-N 3.5Å
182A37.4Very low49.4Very low68 Ų68112.6 Ų112.656%0.56266%0.66SS**  trans-142.3110.4153.800000112.5P179P179-A182 PolarHBondContact O-N 3.44Å
183A34.4Very low47.6Very low99 Ų99115.8 Ų115.882%0.81868%0.681SS**  trans-83.8142.916800000110.4
184S32.2Very low46.5Very low122 Ų122117.5 Ų117.585%0.85369%0.693SS**  trans61.667.8169.4-171.90000117.5
185V40.1Very low46Very low125 Ų125117 Ų11776%0.75870%0.695SS**  trans-128.8112.5146.8-176.10000109.6A187V185-A187 VanDerWaalsContact C-N 3.34Å; V185-A187 HydrophobicContact CG1-CB 4.34Å; V185-A187 PolarHBondContact O-N 2.94Å; V185-A187 VanDerWaalsContact O-N 3.11Å
186R33.6Very low46.7Very low244 Ų244117.1 Ų117.192%0.92169%0.686SS**  trans-81.879.5172.1-175.8-174.2-70.8176-2.1109.2
187A38.7Very low48.3Very low83 Ų83114.2 Ų114.269%0.68667%0.67SS**  trans-85.9116.6175.400000110.8V185 A189V185-A187 VanDerWaalsContact C-N 3.34Å; V185-A187 HydrophobicContact CG1-CB 4.34Å; V185-A187 PolarHBondContact O-N 2.94Å; V185-A187 VanDerWaalsContact O-N 3.11Å; A187-A189 PolarHBondContact O-N 3.16Å
188C30.6Very low50.5Low120 Ų120114.9 Ų114.981%0.81166%0.659SS**  trans-74.3104.8172.9-60.40000109.7S190C188-S190 PolarHBondContact O-N 3.24Å
189A39.5Very low53.1Low101 Ų101112.4 Ų112.484%0.83564%0.638SS**  trans-70.9108.1167.800000109A187A187-A189 PolarHBondContact O-N 3.16Å
190S40.8Very low55.7Low89 Ų89110.4 Ų110.462%0.62263%0.626SS**  trans-60.8140.9171.945.80000110.7C188 S192C188-S190 PolarHBondContact O-N 3.24Å; S190-S192 PolarHBondContact O-N 2.78Å
191E50.5Low58.4Low189 Ų189107.2 Ų107.288%0.88362%0.615SS**THydrogen-bonded Turntrans-70.416.5-167.5-146.3175.9146.500115.3
192S49.7Very low61.1Low95 Ų95100.3 Ų100.366%0.66459%0.592SS**THydrogen-bonded Turntrans-99.3-27.5-156.4-48.90000115.5S190 V194S190-S192 PolarHBondContact O-N 2.78Å; S192-V194 PolarHBondContact O-N 3.3Å
193D57.2Low63.8Low146 Ų14697.9 Ų97.978%0.78157%0.57SS**  trans-96.932.6-172.1-75.5-37.6000114.3V195D193-V195 VanDerWaalsContact C-N 3.35Å; D193-V195 PolarHBondContact O-N 3.35Å
194V67.5Low66.7Low55 Ų5593.2 Ų93.233%0.33353%0.531SS..  trans-78.981.8177.2-173.80000110.8K172 S192 F196K172-V194 HydrophobicContact CD-CG1 3.61Å; K172-V194 VanDerWaalsContact CE-CG1 3.5Å; K172-V194 HydrophobicContact CG-CG1 3.86Å; S192-V194 PolarHBondContact O-N 3.3Å; V194-F196 HydrophobicContact CB-CE2 4.3Å; V194-F196 HydrophobicContact CG1-CD2 4.32Å; V194-F196 HydrophobicContact CG1-CE1 4.29Å; V194-F196 HydrophobicContact CG1-CE2 3.68Å; V194-F196 HydrophobicContact CG1-CZ 3.67Å; V194-F196 WeakPolarHBondContact O-CD2 3.44Å; V194-F196 WeakPolarHBondContact O-CE2 3.26Å; V194-F196 PolarHBondContact O-N 2.84Å
195V76.5Confident69.7Low86 Ų8688.6 Ų88.652%0.52150%0.495SS..  trans-75.1113.5178.2-172.60000111.1D193 I197D193-V195 VanDerWaalsContact C-N 3.35Å; D193-V195 PolarHBondContact O-N 3.35Å; V195-I197 HydrophobicContact CG1-CD1 4.26Å; V195-I197 HydrophobicContact CG1-CG1 3.85Å
196F90.1Very high72.3Confident100 Ų10083.6 Ų83.644%0.43946%0.464SS..EExtended strand (participates in β ladder)trans-90.9123.2170.9-58.8-93.2000110.4V160 Q170 L171 K172 V194V160-F196 HydrophobicContact CB-CD1 4.4Å; V160-F196 HydrophobicContact CB-CE1 4.46Å; V160-F196 HydrophobicContact CG1-CD1 4.26Å; V160-F196 HydrophobicContact CG1-CE1 4.03Å; V160-F196 HydrophobicContact CG2-CD1 4.04Å; V160-F196 HydrophobicContact CG2-CE1 3.94Å; Q170-F196 HydrophobicContact CG-CB 4.27Å; L171-F196 WeakPolarHBondContact O-CA 3.48Å; K172-F196 HydrophobicContact CB-CD1 4.13Å; K172-F196 HydrophobicContact CB-CE1 4.1Å; K172-F196 HydrophobicContact CD-CE1 4.32Å; V194-F196 HydrophobicContact CB-CE2 4.3Å; V194-F196 HydrophobicContact CG1-CD2 4.32Å; V194-F196 HydrophobicContact CG1-CE1 4.29Å; V194-F196 HydrophobicContact CG1-CE2 3.68Å; V194-F196 HydrophobicContact CG1-CZ 3.67Å; V194-F196 WeakPolarHBondContact O-CD2 3.44Å; V194-F196 WeakPolarHBondContact O-CE2 3.26Å; V194-F196 PolarHBondContact O-N 2.84Å
197I92.5Very high75.1Confident43 Ų4373.7 Ų73.722%0.22143%0.429CS..EExtended strand (participates in β ladder)trans-117.4135.5-178.3-51.9-178.9000110.1R147 L171 F173 V195 V199R147-I197 HydrophobicContact CB-CD1 3.97Å; R147-I197 HydrophobicContact CG-CD1 4.19Å; L171-I197 PolarHBondContact N-O 2.9Å; L171-I197 PolarHBondContact O-N 2.88Å; F173-I197 HydrophobicContact CD2-CD1 4.04Å; F173-I197 HydrophobicContact CD2-CG1 4.31Å; F173-I197 HydrophobicContact CE2-CB 4.09Å; F173-I197 HydrophobicContact CE2-CD1 3.95Å; F173-I197 HydrophobicContact CE2-CG1 4.26Å; V195-I197 HydrophobicContact CG1-CD1 4.26Å; V195-I197 HydrophobicContact CG1-CG1 3.85Å; I197-V199 HydrophobicContact CB-CG2 4.19Å; I197-V199 HydrophobicContact CG2-CG2 3.81Å
198W94.5Very high77.6Confident133 Ų13374 Ų7450%0.50441%0.412SS..EExtended strand (participates in β ladder)trans-85.2113.7170.8-81.9100.3000110.9S168 Q170S168-W198 WeakPolarHBondContact O-CZ3 3.36Å; Q170-W198 HydrophobicContact CB-CD2 3.88Å; Q170-W198 HydrophobicContact CB-CE3 3.96Å; Q170-W198 HydrophobicContact CB-CH2 3.89Å; Q170-W198 HydrophobicContact CB-CZ2 3.78Å; Q170-W198 HydrophobicContact CB-CZ3 3.97Å; Q170-W198 HydrophobicContact CG-CD2 4.32Å; Q170-W198 HydrophobicContact CG-CZ2 4.26Å
199V94.4Very high80.5Confident3 Ų368.6 Ų68.62%0.01838%0.375CS..EExtended strand (participates in β ladder)trans-118134.9-169.8177.20000110S168 F169 L171 F173 I197 N203 I204S168-V199 WeakPolarHBondContact CA-O 3.38Å; F169-V199 PolarHBondContact N-O 3.49Å; F169-V199 PolarHBondContact O-N 3.44Å; L171-V199 HydrophobicContact CD1-CB 3.77Å; L171-V199 HydrophobicContact CD1-CG1 4.04Å; L171-V199 HydrophobicContact CD1-CG2 3.81Å; L171-V199 HydrophobicContact CG-CB 4.18Å; L171-V199 HydrophobicContact CG-CG2 4.21Å; F173-V199 HydrophobicContact CE2-CG2 4.4Å; I197-V199 HydrophobicContact CB-CG2 4.19Å; I197-V199 HydrophobicContact CG2-CG2 3.81Å; V199-N203 HydrophobicContact CG1-CB 3.33Å; V199-I204 HydrophobicContact CG1-CG2 3.9Å
200S94.7Very high82.9Confident56 Ų5664.4 Ų64.439%0.39234%0.34SS..EExtended strand (participates in β ladder)trans-73.5156.9-178.785.60000112.3A202 N203S200-A202 PolarHBondContact O-N 3.26Å; S200-A202 PolarHBondContact OG-N 3.39Å; S200-N203 PolarHBondContact O-N 2.82Å
201R94.5Very high85.2Confident95 Ų9560.3 Ų60.336%0.35831%0.311SS..G310 helixtrans-48.6-33.1174.9-173.6-173.9167.5-160.4-11.1114A131 P132 V167 F169 N203A131-R201 PolarHBondContact O-NH2 2.88Å; P132-R201 VanDerWaalsContact O-CZ 3.28Å; P132-R201 PolarHBondContact O-NE 2.81Å; P132-R201 PolarHBondContact O-NH2 3.41Å; V167-R201 HydrophobicContact CG1-CB 4.08Å; F169-R201 HydrophobicContact CE2-CB 4.06Å; F169-R201 HydrophobicContact CE2-CG 4.32Å; R201-N203 VanDerWaalsContact C-N 3.26Å; R201-N203 PolarHBondContact O-N 2.83Å
202A94.1Very high87Confident55 Ų5554.9 Ų54.946%0.45528%0.284SS..G310 helixtrans-71.3-18.6-178.600000113.9S200 R205S200-A202 PolarHBondContact O-N 3.26Å; S200-A202 PolarHBondContact OG-N 3.39Å; A202-R205 PolarHBondContact O-NH1 3.05Å
203N94.3Very high88.7Confident17 Ų1757 Ų579%0.09128%0.284CS..G310 helixtrans-98.92.1-173.7-73.614.9000113.7A145 R146 V199 S200 R201A145-N203 WeakPolarHBondContact CA-O 3.44Å; R146-N203 HydrophobicContact CG-CB 3.82Å; R146-N203 PolarHBondContact N-O 2.85Å; R146-N203 VanDerWaalsContact NE-CG 3.33Å; R146-N203 PolarHBondContact NE-OD1 2.89Å; R146-N203 VanDerWaalsContact NE-OD1 3.1Å; R146-N203 PolarHBondContact NH2-OD1 2.99Å; V199-N203 HydrophobicContact CG1-CB 3.33Å; S200-N203 PolarHBondContact O-N 2.82Å; R201-N203 VanDerWaalsContact C-N 3.26Å; R201-N203 PolarHBondContact O-N 2.83Å
204I94.7Very high90Very high0 Ų053.6 Ų53.60%026%0.263CS..EExtended strand (participates in β ladder)trans-117.4153.7178.863.4161.5000112.3P132 V137 C144 A145 F169 L171 V199P132-I204 VanDerWaalsContact CD-O 3.28Å; P132-I204 WeakPolarHBondContact CD-O 3.37Å; P132-I204 HydrophobicContact CG-CD1 3.81Å; P132-I204 HydrophobicContact CG-CG1 4Å; V137-I204 HydrophobicContact CG1-CD1 4.41Å; V137-I204 HydrophobicContact CG2-CD1 4.18Å; C144-I204 CarbonylContact O-C 3.43Å; C144-I204 WeakPolarHBondContact O-CA 3.37Å; A145-I204 HydrophobicContact CB-CG2 3.95Å; F169-I204 HydrophobicContact CD1-CD1 4.3Å; F169-I204 HydrophobicContact CD2-CD1 3.5Å; F169-I204 HydrophobicContact CD2-CG1 4.29Å; F169-I204 HydrophobicContact CE1-CD1 4.35Å; F169-I204 HydrophobicContact CE2-CD1 3.55Å; F169-I204 HydrophobicContact CE2-CG1 4.41Å; F169-I204 HydrophobicContact CG-CD1 3.91Å; F169-I204 HydrophobicContact CZ-CD1 3.99Å; L171-I204 HydrophobicContact CD1-CG2 3.82Å; V199-I204 HydrophobicContact CG1-CG2 3.9Å
205R95.5Very high90.6Very high26 Ų2653.3 Ų53.310%0.09826%0.259CS..EExtended strand (participates in β ladder)trans-136.1145.8171.8-56.9-63.2179.9-88.8-4.4109.6L76 V127 D129 Q130 V143 C144 F154 A202L76-R205 HydrophobicContact CD1-CB 4.31Å; L76-R205 HydrophobicContact CD1-CG 3.62Å; L76-R205 HydrophobicContact CG-CG 4.38Å; V127-R205 HydrophobicContact CG1-CB 4.21Å; D129-R205 IonicContact OD1-CZ 3.72Å; D129-R205 IonicContact OD1-NE 2.67Å; D129-R205 PolarHBondContact OD1-NE 2.86Å; D129-R205 IonicContact OD1-NH2 2.94Å; D129-R205 PolarHBondContact OD1-NH2 2.85Å; Q130-R205 VanDerWaalsContact C-CD 3.45Å; Q130-R205 WeakPolarHBondContact O-CD 3.22Å; V143-R205 WeakPolarHBondContact CB-O 3.42Å; C144-R205 HydrophobicContact CB-CB 4.27Å; C144-R205 PolarHBondContact N-O 2.82Å; C144-R205 PolarHBondContact O-N 2.87Å; F154-R205 HydrophobicContact CE1-CG 4.26Å; A202-R205 PolarHBondContact O-NH1 3.05Å
206L94.6Very high90.5Very high20 Ų2051.1 Ų51.111%0.10525%0.248CC..EExtended strand (participates in β ladder)trans-77.7142.1169.6-74.9168.2000109.4V127 P132 L136 V137 M141 V143 R208V127-L206 WeakPolarHBondContact CG1-O 3.44Å; P132-L206 HydrophobicContact CB-CD1 3.63Å; P132-L206 HydrophobicContact CB-CG 3.68Å; P132-L206 HydrophobicContact CG-CG 4.13Å; L136-L206 HydrophobicContact CB-CD1 4Å; L136-L206 HydrophobicContact CD1-CD1 4.35Å; V137-L206 HydrophobicContact CG2-CD2 4.32Å; M141-L206 HydrophobicContact CE-CD2 3.59Å; V143-L206 HydrophobicContact CG1-CD2 4.42Å; L206-R208 HydrophobicContact CB-CG 4.39Å; L206-R208 PolarHBondContact O-N 2.98Å
207L93.3Very high89.4Confident36 Ų3649.4 Ų49.419%0.18825%0.247CC..SBendtrans-71.579.4171.7-64175.9000110.2Y85 F124 V127 V142 C144 L156Y85-L207 HydrophobicContact CE2-CD2 4.44Å; F124-L207 HydrophobicContact CD1-CB 3.99Å; F124-L207 HydrophobicContact CE1-CB 4.4Å; V127-L207 HydrophobicContact CG2-CD2 4.15Å; V142-L207 HydrophobicContact CB-CD1 4.43Å; V142-L207 HydrophobicContact CG1-CD1 4.01Å; C144-L207 HydrophobicContact CB-CD2 3.86Å; L156-L207 HydrophobicContact CD2-CD1 3.95Å; L156-L207 HydrophobicContact CD2-CD2 3.93Å; L156-L207 HydrophobicContact CD2-CG 4.47Å
208R91.1Very high87.8Confident89 Ų8950.8 Ų50.834%0.33625%0.253SS..  trans-145.1134.7177.4-67.9-176.3177.8-173.2-1.8109.8V127 A128 L206 F212V127-R208 WeakPolarHBondContact CA-O 3.48Å; A128-R208 PolarHBondContact N-O 3.2Å; L206-R208 HydrophobicContact CB-CG 4.39Å; L206-R208 PolarHBondContact O-N 2.98Å; R208-F212 HydrophobicContact CB-CB 4.12Å; R208-F212 HydrophobicContact CB-CD2 4.06Å; R208-F212 HydrophobicContact CB-CG 4.07Å; R208-F212 HydrophobicContact CG-CD2 3.82Å; R208-F212 HydrophobicContact CG-CE2 4.06Å; R208-F212 HydrophobicContact CG-CG 4.07Å
209P91.1Very high86.1Confident6 Ų646.7 Ų46.74%0.03924%0.243CC..  trans-68.8162.117330.4-34.4000110.9P123 I126 W211 F212P123-P209 WeakPolarHBondContact O-CD 3.37Å; I126-P209 VanDerWaalsContact O-CA 3.32Å; I126-P209 WeakPolarHBondContact O-CA 3.25Å; P209-W211 VanDerWaalsContact C-N 3.31Å; P209-W211 HydrophobicContact CB-CD2 4.06Å; P209-W211 HydrophobicContact CB-CG 4.5Å; P209-W211 HydrophobicContact CB-CH2 4.22Å; P209-W211 HydrophobicContact CB-CZ2 3.64Å; P209-W211 PolarHBondContact O-N 2.92Å; P209-F212 HydrophobicContact CG-CB 4.3Å; P209-F212 VanDerWaalsContact O-CB 3.26Å; P209-F212 WeakPolarHBondContact O-CB 3.28Å; P209-F212 PolarHBondContact O-N 2.83Å
210P89.7Confident84.2Confident13 Ų1352.2 Ų52.28%0.08427%0.268CS..THydrogen-bonded Turntrans-53.3-44.7177-26.434.1000113.6W70 V75 A128 F212W70-P210 HydrophobicContact CD2-CB 3.92Å; W70-P210 HydrophobicContact CE3-CB 3.37Å; W70-P210 HydrophobicContact CH2-CB 4.05Å; W70-P210 VanDerWaalsContact CH2-O 3.22Å; W70-P210 WeakPolarHBondContact CH2-O 3.42Å; W70-P210 HydrophobicContact CZ3-CB 3.44Å; W70-P210 VanDerWaalsContact CZ3-CB 3.44Å; V75-P210 HydrophobicContact CG1-CG 3.68Å; A128-P210 HydrophobicContact CB-CG 4.44Å; P210-F212 PolarHBondContact O-N 2.89Å; P210-F212 VanDerWaalsContact O-N 3.16Å
211W89.4Confident82.1Confident4 Ų453.3 Ų53.32%0.01527%0.267CS..THydrogen-bonded Turntrans-81.523-178.552.985.4000114.6L67 W70 I90 L99 V118 I126 P209 E214 L215L67-W211 HydrophobicContact CD2-CD2 3.68Å; L67-W211 HydrophobicContact CD2-CE3 3.84Å; L67-W211 HydrophobicContact CD2-CG 4.01Å; L67-W211 HydrophobicContact CD2-CZ3 4.37Å; W70-W211 HydrophobicContact CD2-CE3 4.49Å; W70-W211 HydrophobicContact CG-CE3 4.2Å; W70-W211 HydrophobicContact CZ2-CB 4.05Å; I90-W211 HydrophobicContact CD1-CZ3 4.09Å; L99-W211 HydrophobicContact CD1-CH2 3.36Å; L99-W211 HydrophobicContact CD1-CZ2 4.31Å; L99-W211 HydrophobicContact CD1-CZ3 3.59Å; V118-W211 HydrophobicContact CB-CH2 4.43Å; V118-W211 HydrophobicContact CB-CZ2 3.98Å; V118-W211 HydrophobicContact CG2-CH2 4.01Å; V118-W211 HydrophobicContact CG2-CZ2 3.59Å; I126-W211 HydrophobicContact CB-CH2 4.23Å; I126-W211 HydrophobicContact CD1-CH2 4.38Å; I126-W211 HydrophobicContact CG2-CH2 4Å; I126-W211 HydrophobicContact CG2-CZ3 4.48Å; P209-W211 VanDerWaalsContact C-N 3.31Å; P209-W211 HydrophobicContact CB-CD2 4.06Å; P209-W211 HydrophobicContact CB-CG 4.5Å; P209-W211 HydrophobicContact CB-CH2 4.22Å; P209-W211 HydrophobicContact CB-CZ2 3.64Å; P209-W211 PolarHBondContact O-N 2.92Å; W211-E214 VanDerWaalsContact CA-OE2 3.28Å; W211-E214 WeakPolarHBondContact CA-OE2 3.22Å; W211-L215 PolarHBondContact O-N 3.41Å; W211-L215 VanDerWaalsContact O-N 3.11Å
212F88.7Confident79.9Confident74 Ų7458.5 Ų58.533%0.32529%0.287SS..Hα-helixtrans-66.6-36.7-177.8176.5-86000112.9R208 P209 P210 S216R208-F212 HydrophobicContact CB-CB 4.12Å; R208-F212 HydrophobicContact CB-CD2 4.06Å; R208-F212 HydrophobicContact CB-CG 4.07Å; R208-F212 HydrophobicContact CG-CD2 3.82Å; R208-F212 HydrophobicContact CG-CE2 4.06Å; R208-F212 HydrophobicContact CG-CG 4.07Å; P209-F212 HydrophobicContact CG-CB 4.3Å; P209-F212 VanDerWaalsContact O-CB 3.26Å; P209-F212 WeakPolarHBondContact O-CB 3.28Å; P209-F212 PolarHBondContact O-N 2.83Å; P210-F212 PolarHBondContact O-N 2.89Å; P210-F212 VanDerWaalsContact O-N 3.16Å; F212-S216 WeakPolarHBondContact O-CB 3.49Å; F212-S216 PolarHBondContact O-N 3.19Å
213E84.8Confident77.3Confident141 Ų14158 Ų5866%0.65928%0.28SS*.Hα-helixtrans-68.9-41.2-178.6-65-165.2174.700110.3S216 C217E213-S216 PolarHBondContact O-N 2.79Å; E213-S216 PolarHBondContact O-OG 2.81Å; E213-C217 PolarHBondContact O-N 2.85Å; E213-C217 PolarHBondContact O-SG 3.4Å
214E84.3Confident74.8Confident74 Ų7464.3 Ų64.335%0.34631%0.306SS..Hα-helixtrans-63.9-46.6176.5-65.176.9-173.300112L65 W211 S216 C217 E218L65-E214 HydrophobicContact CD1-CB 3.78Å; L65-E214 HydrophobicContact CD2-CB 3.82Å; L65-E214 HydrophobicContact CG-CB 4.41Å; W211-E214 VanDerWaalsContact CA-OE2 3.28Å; W211-E214 WeakPolarHBondContact CA-OE2 3.22Å; E214-S216 VanDerWaalsContact C-N 3.26Å; E214-S216 PolarHBondContact O-N 3.31Å; E214-C217 WeakPolarHBondContact O-CB 3.37Å; E214-C217 PolarHBondContact O-N 3.32Å; E214-E218 PolarHBondContact O-N 2.81Å
215L80Confident71.7Confident49 Ų4971.2 Ų71.226%0.25734%0.341SS..Hα-helixtrans-57.7-39.3172-80.4174.5000111.9L65 L119 W211 C217 T219L65-L215 HydrophobicContact CD1-CB 4.36Å; L65-L215 HydrophobicContact CD1-CD2 3.68Å; L65-L215 HydrophobicContact CD1-CG 3.75Å; L119-L215 HydrophobicContact CD2-CD1 4.34Å; L119-L215 HydrophobicContact CD2-CD2 4.46Å; W211-L215 PolarHBondContact O-N 3.41Å; W211-L215 VanDerWaalsContact O-N 3.11Å; L215-C217 VanDerWaalsContact C-N 3.33Å; L215-T219 VanDerWaalsContact O-CB 3.27Å; L215-T219 WeakPolarHBondContact O-CB 3.3Å; L215-T219 PolarHBondContact O-N 3.37Å; L215-T219 PolarHBondContact O-OG1 2.94Å
216S74.8Confident68.7Low39 Ų3976.2 Ų76.227%0.27338%0.377SS..Hα-helixtrans-68.7-31.2176.681.70000112.6F212 E213 E214 Q220F212-S216 WeakPolarHBondContact O-CB 3.49Å; F212-S216 PolarHBondContact O-N 3.19Å; E213-S216 PolarHBondContact O-N 2.79Å; E213-S216 PolarHBondContact O-OG 2.81Å; E214-S216 VanDerWaalsContact C-N 3.26Å; E214-S216 PolarHBondContact O-N 3.31Å; S216-Q220 WeakPolarHBondContact O-CB 3.39Å; S216-Q220 VanDerWaalsContact O-CG 3.31Å; S216-Q220 WeakPolarHBondContact O-CG 3.32Å; S216-Q220 PolarHBondContact O-N 3.44Å
217C66.5Low66Low64 Ų6479.4 Ų79.443%0.43240%0.397SS..Hα-helixtrans-71.9-45.5174.9-660000111.9E213 E214 L215 T219 Q220 Q221E213-C217 PolarHBondContact O-N 2.85Å; E213-C217 PolarHBondContact O-SG 3.4Å; E214-C217 WeakPolarHBondContact O-CB 3.37Å; E214-C217 PolarHBondContact O-N 3.32Å; L215-C217 VanDerWaalsContact C-N 3.33Å; C217-T219 VanDerWaalsContact C-N 3.32Å; C217-Q220 PolarHBondContact O-N 3.44Å; C217-Q221 WeakPolarHBondContact O-CG 3.39Å; C217-Q221 PolarHBondContact O-N 3.17Å
218E58.2Low63.2Low73 Ų7385.4 Ų85.434%0.34143%0.429SS..Hα-helixtrans-62.2-43.3175.1-165.2-170.8127.400110.4L65 E214 Q220 Q221 R222L65-E218 WeakPolarHBondContact CG-OE2 3.31Å; E214-E218 PolarHBondContact O-N 2.81Å; E218-Q220 PolarHBondContact O-N 2.81Å; E218-Q221 PolarHBondContact O-N 3.4Å; E218-R222 WeakPolarHBondContact O-CB 3.35Å; E218-R222 PolarHBondContact O-N 3.02Å
219T59.8Low60.6Low47 Ų4789.4 Ų89.429%0.28845%0.449SS..Hα-helixtrans-58.3-45173.4-56.90000111.2L215 C217 Q221 R222 S223 F229L215-T219 VanDerWaalsContact O-CB 3.27Å; L215-T219 WeakPolarHBondContact O-CB 3.3Å; L215-T219 PolarHBondContact O-N 3.37Å; L215-T219 PolarHBondContact O-OG1 2.94Å; C217-T219 VanDerWaalsContact C-N 3.32Å; T219-Q221 PolarHBondContact O-N 2.92Å; T219-R222 CarbonylContact O-C 3.59Å; T219-R222 PolarHBondContact O-N 3.39Å; T219-S223 WeakPolarHBondContact O-CA 3.46Å; T219-S223 WeakPolarHBondContact O-CB 3.44Å; T219-S223 PolarHBondContact O-N 3.13Å; T219-S223 PolarHBondContact O-OG 3.18Å; T219-F229 HydrophobicContact CG2-CD2 3.94Å; T219-F229 HydrophobicContact CG2-CE2 4.28Å
220Q53.9Low58Low119 Ų11993.1 Ų93.156%0.55648%0.475SS*.Hα-helixtrans-68.8-28.8178.1-78.8-179.515.800114.2S216 C217 E218 L361S216-Q220 WeakPolarHBondContact O-CB 3.39Å; S216-Q220 VanDerWaalsContact O-CG 3.31Å; S216-Q220 WeakPolarHBondContact O-CG 3.32Å; S216-Q220 PolarHBondContact O-N 3.44Å; C217-Q220 PolarHBondContact O-N 3.44Å; E218-Q220 PolarHBondContact O-N 2.81Å; Q220-L361 HydrophobicContact CB-CD2 4.33Å
221Q50.9Low55.6Low78 Ų7898.5 Ų98.536%0.36451%0.51SS..Hα-helixtrans-72.4-38.1171.9-71.1-1772.100111.3C217 E218 T219 L361C217-Q221 WeakPolarHBondContact O-CG 3.39Å; C217-Q221 PolarHBondContact O-N 3.17Å; E218-Q221 PolarHBondContact O-N 3.4Å; T219-Q221 PolarHBondContact O-N 2.92Å; Q221-L361 HydrophobicContact CG-CB 4.2Å; Q221-L361 HydrophobicContact CG-CD2 4.01Å
222R49Very low52.9Low204 Ų204106.2 Ų106.277%0.7754%0.544SS*.Hα-helixtrans-76.5-29.1176.4-152.9172.1-169.3177.63.3112.9E218 T219 K224E218-R222 WeakPolarHBondContact O-CB 3.35Å; E218-R222 PolarHBondContact O-N 3.02Å; T219-R222 CarbonylContact O-C 3.59Å; T219-R222 PolarHBondContact O-N 3.39Å; R222-K224 PolarHBondContact O-N 2.95Å
223S39.2Very low50.3Low44 Ų44107.8 Ų107.831%0.30856%0.555SS.*THydrogen-bonded Turntrans-8332.4-175.7810000114.4T219 M225T219-S223 WeakPolarHBondContact O-CA 3.46Å; T219-S223 WeakPolarHBondContact O-CB 3.44Å; T219-S223 PolarHBondContact O-N 3.13Å; T219-S223 PolarHBondContact O-OG 3.18Å; S223-M225 CarbonylContact C-O 3.18Å; S223-M225 WeakPolarHBondContact CA-O 3.15Å; S223-M225 PolarHBondContact O-N 3.33Å
224K40.4Very low47.8Very low150 Ų150108.9 Ų108.965%0.65256%0.56SS**THydrogen-bonded Turntrans-72.5-9.3158.7-114.2176.2177.2175.90112.9R222 N359R222-K224 PolarHBondContact O-N 2.95Å; K224-N359 PolarHBondContact NZ-ND2 2.87Å; K224-N359 PolarHBondContact NZ-OD1 2.98Å
225M30.6Very low45.4Very low146 Ų146110.8 Ų110.872%0.71958%0.581SS**SBendtrans-101138.4150.9-63.2-64.817400108.8S223 V227S223-M225 CarbonylContact C-O 3.18Å; S223-M225 WeakPolarHBondContact CA-O 3.15Å; S223-M225 PolarHBondContact O-N 3.33Å; M225-V227 PolarHBondContact O-N 3.34Å; M225-V227 VanDerWaalsContact O-N 3.13Å
226P33.4Very low43.3Very low131 Ų131113.6 Ų113.685%0.85161%0.611SS**  trans-70.1110.6-175.227.6-34.2000111.9
227V36.9Very low41.3Very low87 Ų87115 Ų11553%0.52763%0.632SS.*  trans-121.3113173.2-74.80000110.4M225 F229M225-V227 PolarHBondContact O-N 3.34Å; M225-V227 VanDerWaalsContact O-N 3.13Å; V227-F229 PolarHBondContact O-N 3.48Å
228N35.3Very low39.7Very low161 Ų161119.6 Ų119.686%0.86165%0.652SS**  trans-77.6101.7-177.4-92.5-32.6000111.8S230N228-S230 VanDerWaalsContact C-N 3.34Å; N228-S230 PolarHBondContact O-N 3.31Å
229F36Very low38.5Very low174 Ų174122.3 Ų122.376%0.76368%0.675SS**  trans-83.279.5161-98.6-81.5000110.5T219 V227 P231T219-F229 HydrophobicContact CG2-CD2 3.94Å; T219-F229 HydrophobicContact CG2-CE2 4.28Å; V227-F229 PolarHBondContact O-N 3.48Å; F229-P231 WeakPolarHBondContact O-CD 3.28Å
230S35.7Very low37.2Very low83 Ų83123.7 Ų123.758%0.5870%0.699SS**PPolyproline II helixtrans-77.5116.6170.2-65.40000110.2N228 F232N228-S230 VanDerWaalsContact C-N 3.34Å; N228-S230 PolarHBondContact O-N 3.31Å; S230-F232 PolarHBondContact O-N 2.97Å
231P40.1Very low36.3Very low126 Ų126127 Ų12782%0.81871%0.714SS**PPolyproline II helixtrans-70.3117.4170.828.9-32.3000109.2F229 L233F229-P231 WeakPolarHBondContact O-CD 3.28Å; P231-L233 PolarHBondContact O-N 2.78Å
232F31.7Very low35.4Very low167 Ų167131.4 Ų131.473%0.73273%0.734SS**PPolyproline II helixtrans-61.8117.9-178-87.7-85.1000112.4S230 H234S230-F232 PolarHBondContact O-N 2.97Å; F232-H234 AromaticContact CD1-CE1 3.34Å; F232-H234 WeakPolarHBondContact CD1-CE1 3.43Å; F232-H234 AromaticContact CD1-ND1 3.74Å; F232-H234 AromaticContact CD1-NE2 3.77Å; F232-H234 AromaticContact CE1-CE1 3.43Å; F232-H234 VanDerWaalsContact CE1-CE1 3.43Å; F232-H234 WeakPolarHBondContact CE1-CE1 3.47Å; F232-H234 AromaticContact CE1-NE2 3.62Å
233L34.2Very low34.5Very low106 Ų106130 Ų13056%0.55574%0.741SS**  trans-124102.7150-73.9177.4000107.6V142 P231 S235V142-L233 HydrophobicContact CG2-CD2 4.04Å; P231-L233 PolarHBondContact O-N 2.78Å; L233-S235 PolarHBondContact O-N 3.05Å; L233-S235 VanDerWaalsContact O-N 3.17Å
234H33.6Very low34.2Very low165 Ų165131.1 Ų131.176%0.76475%0.753SS**  trans-74100.7171.7-78.7115.7000109.9F232F232-H234 AromaticContact CD1-CE1 3.34Å; F232-H234 WeakPolarHBondContact CD1-CE1 3.43Å; F232-H234 AromaticContact CD1-ND1 3.74Å; F232-H234 AromaticContact CD1-NE2 3.77Å; F232-H234 AromaticContact CE1-CE1 3.43Å; F232-H234 VanDerWaalsContact CE1-CE1 3.43Å; F232-H234 WeakPolarHBondContact CE1-CE1 3.47Å; F232-H234 AromaticContact CE1-NE2 3.62Å
235S34.5Very low33.7Very low114 Ų114131.1 Ų131.180%0.79776%0.758SS**  trans-89.492.5156.755.30000108.8L233 G237L233-S235 PolarHBondContact O-N 3.05Å; L233-S235 VanDerWaalsContact O-N 3.17Å; S235-G237 PolarHBondContact O-N 3.2Å
236A35.4Very low33.8Very low107 Ų107132 Ų13288%0.88477%0.766SS**  trans-70.6116.6169.800000109.1
237G31.5Very low34Very low68 Ų68129.8 Ų129.870%0.70176%0.759SS**  trans-176.983.3-173.700000113.8S235S235-G237 PolarHBondContact O-N 3.2Å
238L34.1Very low33.6Very low162 Ų162132.4 Ų132.485%0.84878%0.779SS**  trans38.9102.8154.9-64.5169.6000118.9G240L238-G240 VanDerWaalsContact C-N 3.27Å; L238-G240 PolarHBondContact O-N 2.69Å
239P31.9Very low33.6Very low130 Ų130127.8 Ų127.884%0.84477%0.77SS**  trans-74.581.615532.6-32.2000109.8Q241P239-Q241 PolarHBondContact O-N 2.85Å
240G33.3Very low33.6Very low75 Ų75125.2 Ų125.277%0.77377%0.774SS**  trans-66.9109.9175.600000111.5L238L238-G240 VanDerWaalsContact C-N 3.27Å; L238-G240 PolarHBondContact O-N 2.69Å
241Q34.3Very low33.7Very low190 Ų190126.7 Ų126.789%0.88878%0.784SS**  trans-78.5132.6177.3-62.8177.7-0.200110.9P239P239-Q241 PolarHBondContact O-N 2.85Å
242H31.8Very low33.6Very low169 Ų169125.1 Ų125.178%0.78278%0.776SS**  trans-146.179.7158.6-165.3-102.5000111.3A244H242-A244 WeakPolarHBondContact CE1-CB 3.41Å
243L30Very low33.6Very low176 Ų176126.2 Ų126.292%0.92178%0.781SS**  trans-80.8116.8160.5-92158.3000108.2
244A32.9Very low33.8Very low66 Ų66125.9 Ų125.955%0.54578%0.783SS.*  trans-133.781.3174.600000111.2H242H242-A244 WeakPolarHBondContact CE1-CB 3.41Å
245I31.1Very low33.8Very low150 Ų150124.6 Ų124.677%0.76978%0.781SS**  trans31.3117.4134.2-54.4171.7000117.5
246N33.3Very low33.7Very low166 Ų166125.3 Ų125.389%0.88878%0.776SS**  trans-166.7137136.3-89-36000107.6
247A35.7Very low33.7Very low84 Ų84127.7 Ų127.769%0.69477%0.773SS**  cis-160.7164.5-16.600000109.4
248C30.4Very low33.8Very low141 Ų141129.2 Ų129.295%0.95377%0.772SS**  trans68.6129.5175.2-157.80000117
249G33.5Very low34.2Very low64 Ų64126.8 Ų126.866%0.6677%0.766SS**  cis-179.3179.7-5.500000114.8
250S37.5Very low34.4Very low121 Ų121126.2 Ų126.285%0.84677%0.765SS**  trans81.391.7163.2-57.40000121.7
251S36.8Very low34.8Very low114 Ų114128 Ų12880%0.79776%0.764SS**  trans70.2147.6142.1131.10000120.1
252S38.1Very low34.9Very low92 Ų92126.5 Ų126.564%0.64376%0.762SS**  cis-166.4149.2-12.941.10000112.3
253F32.3Very low34.9Very low191 Ų191123.8 Ų123.884%0.83876%0.76SS**  trans56.5143.4154.2-84.7-120.6000121
254V37Very low35Very low99 Ų99123.7 Ų123.760%0.676%0.755SS**  cis-162.8158-32.1-92.20000108.1
255N34.5Very low35.2Very low137 Ų137126.1 Ų126.173%0.73376%0.763SS**  trans45.6145.1140.9-70.8-23.9000123
256N32.1Very low35.3Very low129 Ų129125.3 Ų125.369%0.6976%0.76SS**  cis-172.9178.2-21.1-144.3-53.2000109.4
257I34.8Very low35.3Very low158 Ų158126.4 Ų126.481%0.8176%0.757SS**  trans75.9159.2160.1-62.9154.6000116.6
258S34.3Very low35.6Very low99 Ų99127.1 Ų127.169%0.69276%0.755SS**  trans-155.3-173.4-159-167.50000108.5
259P43Very low35.9Very low112 Ų112128.6 Ų128.673%0.72775%0.75SS**  -123172.7-71.738.3-26.1000113.1
260S35.6Very low36Very low117 Ų117130.9 Ų130.982%0.81875%0.751SS**  trans-176.1158.9133.1-82.20000111.9
261P42.3Very low35.7Very low114 Ų114130.8 Ų130.874%0.7475%0.749SS**  trans-109.6168-168.841.3-33.9000114.7
262D35.5Very low35.4Very low158 Ų158134.1 Ų134.185%0.84575%0.752SS**  trans-164169.4144.3-106.9-32.3000111.5
263C32.3Very low35.7Very low111 Ų111134.7 Ų134.775%0.7575%0.753SS**  trans1.6157.916759.80000123.2
264E32.3Very low35.7Very low174 Ų174134.8 Ų134.881%0.81376%0.757SS**  cis-174.8-172.4-26.5-150.8171.9169.900108.1
265V37.2Very low35.6Very low117 Ų117133.4 Ų133.471%0.70976%0.763SS**  trans62.8111.2160.5-64.10000123.9
266D33.8Very low35.7Very low134 Ų134131.4 Ų131.472%0.71777%0.765SS**  trans69.5109.7130.9-66.7-65.9000126.9
267F32.2Very low35.6Very low188 Ų188133.5 Ų133.583%0.82577%0.771SS**  33.3154.3108.9-80-108.2000121.8
268P43Very low35.3Very low100 Ų100130.9 Ų130.965%0.64977%0.765SS**  cis-146.4-141.6-32.941.4-19.7000113.3
269M36.7Very low35.2Very low172 Ų172136.5 Ų136.585%0.84777%0.771SS**  trans75.8141.4162-88-17817600118.2
270T33.8Very low34.8Very low112 Ų112137.4 Ų137.469%0.68778%0.775SS**  cis-160166.9-18.3-9.20000111.9
271C32.3Very low34.7Very low118 Ų118136.4 Ų136.480%0.79777%0.768SS**  trans70.8131150.5-67.40000122.4
272Q30.7Very low34.1Very low184 Ų184135.2 Ų135.286%0.8676%0.762SS**  trans-92.6-157150.1-58.3-162.6-46.500107.7
273P43.9Very low33.9Very low104 Ų104135.2 Ų135.268%0.67576%0.756SS**  cis-144.3-1630.130.4-2.1000116.7
274E32.6Very low33.8Very low193 Ų193135.8 Ų135.890%0.90275%0.752SS**  trans91146.6153-46-151.7139.700120.9
275G33.7Very low33.9Very low71 Ų71134.7 Ų134.773%0.73275%0.747SS**  trans124.688143.200000119.2
276A36.7Very low33.6Very low94 Ų94138 Ų13878%0.77775%0.754SS**  trans63.4169.714400000118.4
277Q31.7Very low33.6Very low173 Ų173138.8 Ų138.881%0.80875%0.754SS**  cis-162-179.9-30.5-106.2178.521.100107.7
278C28.6Very low33.6Very low104 Ų104132.7 Ų132.770%0.70374%0.744SS**  trans71.9154.7159.5-74.10000117.7
279R30.4Very low33Very low216 Ų216132.7 Ų132.782%0.81575%0.747SS**  cis-170.8174.2-29.2-122178.7178.1177.4-2.4107.5
280T35.1Very low32.8Very low132 Ų132134.8 Ų134.881%0.8175%0.745SS**  trans69.6148.7172.277.70000114.8
281S34.4Very low32.5Very low96 Ų96141.3 Ų141.367%0.67176%0.757SS**  cis-162.5160.5-15.6-114.80000111
282C29.6Very low32.4Very low89 Ų89140.8 Ų140.860%0.60176%0.755SS**  trans50.7116.5139.3-54.50000118.5
283E30Very low32.3Very low157 Ų157136.9 Ų136.973%0.73475%0.748SS**  64.413191.6-63.9157.4132.600110.4
284D31.5Very low31.7Very low124 Ų124137.5 Ų137.566%0.66375%0.753SS**  cis172.7176.324.4-107.211000103.7
285Q33.8Very low31.5Very low151 Ų151134.8 Ų134.871%0.70675%0.745SS**  cis-144.2143.4-3.2-102.1140.939.900105.1
286E32Very low31.3Very low185 Ų185137.7 Ų137.786%0.86475%0.752SS**  49.9100.785.6-67.3-139.9116.700117.1
287E32.8Very low31Very low152 Ų152137.2 Ų137.271%0.7175%0.748SS**  176.1142.2124.9-94-154.6130.300108.8
288G32.8Very low31.2Very low60 Ų60134.4 Ų134.462%0.61975%0.748SS**  cis126.8136.8-3.800000112.5
289S30.9Very low31.3Very low100 Ų100137.3 Ų137.370%0.69975%0.751SS**  trans68.1151.3169.9-105.10000115
290R31.7Very low31.5Very low216 Ų216134 Ų13482%0.81575%0.745SS**  cis-139.4159.2-7.5-59-168.1176.9160.17.2107
291R27.9Very low31.6Very low249 Ų249135.1 Ų135.194%0.9474%0.741SS**  cis76.553.839.7-132.7-173.9-159.6-100.97.4115.7
292S29.9Very low31.6Very low106 Ų106135.9 Ų135.974%0.74174%0.737SS**  trans-152.4144.6150.655.90000107.2
293S29.3Very low32Very low103 Ų103135.9 Ų135.972%0.7273%0.732SS**  cis68.391.547.1-141.50000112.7
294C29.6Very low32.4Very low117 Ų117132.6 Ų132.679%0.79173%0.726SS**  trans-144.8127.2160.150.10000105.1
295D28.4Very low32.8Very low136 Ų136133.2 Ų133.273%0.72773%0.729SS**  cis60.980.815.8-55.6-50.5000113.9
296C29.5Very low33Very low131 Ų131132.7 Ų132.789%0.88573%0.731SS**  trans-167.1144.5136.2-101.50000107.6
297A30.6Very low33.3Very low84 Ų84129.2 Ų129.269%0.69473%0.728SS**  cis153.8107.1-2100000104.6
298S35.8Very low33.5Very low114 Ų114124.7 Ų124.780%0.79772%0.721SS**  trans-160.1100.6164.9-60.90000104.1
299Q30.8Very low33.8Very low165 Ų165133.7 Ų133.777%0.77174%0.738SS**  54.7109.988.2-58.5-160.4-93.300111.8
300E34.4Very low34.1Very low146 Ų146132.5 Ų132.568%0.68274%0.742SS**  cis-144.1-151.7-0.5-135.969.7-93.300108.3
301E37.6Very low34.1Very low157 Ų157129 Ų12973%0.73474%0.74SS**  cis-152.4144.114.5-140.5-150.9118.100112.4
302N35.7Very low34.6Very low111 Ų111123.9 Ų123.959%0.59474%0.736SS**  trans29.9138.5145.5-64.7-28.3000125.5
303N37.2Very low34.9Very low90 Ų90123.3 Ų123.348%0.48173%0.732SS.*  trans71.3112.6151.4-56.2-19.2000118H851N303-H851 PolarHBondContact ND2-CE1 2.84Å; N303-H851 VanDerWaalsContact ND2-CE1 3.3Å; N303-H851 PolarHBondContact ND2-NE2 3.31Å; N303-H851 VanDerWaalsContact ND2-NE2 3.18Å
304S38.3Very low35.4Very low87 Ų87124 Ų12461%0.60873%0.734SS**  76.7138.966.288.10000113.1
305D39.9Very low35.6Very low138 Ų138127.8 Ų127.874%0.73874%0.74SS**  cis-147143.227.7-91.1-74.5000116.1
306N37.3Very low36Very low140 Ų140126.7 Ų126.775%0.74974%0.743SS**  31.9109.3123.3-162.125.9000119.8
307S39Very low36.5Very low112 Ų112126.5 Ų126.578%0.78374%0.74SS**  156.5166.186.352.10000108.6
308G37.3Very low36.8Very low56 Ų56127.3 Ų127.358%0.57775%0.747SS**  cis175.5161.7-7.200000111.3
309Y38.3Very low36.7Very low249 Ų249127.4 Ų127.498%0.97675%0.747SS**  trans64.9144.6173.8-55-83.6000118
310G37.7Very low37.2Very low76 Ų76124.2 Ų124.278%0.78474%0.741SS**  cis-150.2154.7-2.200000111.9
311N30.7Very low37.3Very low142 Ų142124.8 Ų124.876%0.75975%0.749SS**  trans-138.2135.9-171178.220.9000109.4
312V39.3Very low37.2Very low142 Ų142120.5 Ų120.586%0.86175%0.747SS**  trans-141.2125.1170.2-163.70000109.6
313S36.8Very low37.3Very low93 Ų93122.4 Ų122.465%0.6576%0.757SS**  trans-85.3160.7-173.9-59.50000113.4
314P38.5Very low37.2Very low119 Ų119126.2 Ų126.277%0.77377%0.769SS**  trans-77.7164.5170.934.2-37000112.6
315Q34.6Very low37.1Very low195 Ų195128.3 Ų128.391%0.91177%0.773SS**  trans-134.6148.4159.2-72.5-170.8-3.300110.4
316S36.8Very low36.9Very low113 Ų113128.9 Ų128.979%0.7977%0.771SS**  trans-118.9-160.2-178.5-56.70000109.5
317P41Very low36.8Very low128 Ų128127.3 Ų127.383%0.83177%0.767SS**  -121.9169.9-98.237.7-22.2000114.1
318A35.8Very low36.7Very low100 Ų100126.3 Ų126.383%0.82676%0.76SS**  trans-145.3143.5163.500000111.7
319S34.3Very low36.7Very low116 Ų116127.9 Ų127.981%0.81177%0.767SS**  trans-104.2-176.7170-44.40000108.6
320P40.8Very low36.6Very low99 Ų99120.9 Ų120.964%0.64376%0.761SS**  cis-127.4-149.6-5.932-7.9000111.2
321D36.2Very low36.5Very low158 Ų158121.5 Ų121.585%0.84576%0.758SS**  trans67139.1163.6-45.7-34.5000117.8
322G36.3Very low36.8Very low67 Ų67121 Ų12169%0.69176%0.761SS**  cis177.9159.2-1200000113.8
323N37Very low36.8Very low150 Ų150119.9 Ų119.980%0.80276%0.757SS**  trans66.3142.8144.3-84.9-10.4000124.7
324F34.9Very low36.7Very low170 Ų170119.9 Ų119.975%0.74676%0.762SS**  trans89.9112.6152.8-75.9-154000118
325L36.8Very low36.6Very low131 Ų131118.9 Ų118.969%0.68676%0.758SS**  84.1139.979.4-74.7-173.5000111.8
326H35.4Very low36.9Very low150 Ų150115.6 Ų115.669%0.69475%0.751SS**  cis-147.9-163.2-0.7-146.2171.7000107.6
327T34.8Very low36.8Very low107 Ų107116.6 Ų116.666%0.65675%0.748SS**  cis-152.2162.25.626.50000105.9
328S37.8Very low36.6Very low91 Ų91114.5 Ų114.564%0.63674%0.736SS**  cis79138.531.2970000115.2
329A37.7Very low36.7Very low90 Ų90117.6 Ų117.674%0.74473%0.734SS**  cis-164.5175.21000000114
330A34.5Very low36.7Very low102 Ų102115.4 Ų115.484%0.84372%0.718SS**  trans69.2148.2153.700000119.4
331A37Very low36.4Very low88 Ų88117.3 Ų117.373%0.72773%0.728SS**  cis-159.1-163-11.500000107.6
332T37.6Very low36.3Very low132 Ų132113.7 Ų113.781%0.8173%0.728SS**  cis-160.8155.516.2-40.90000109.6
333P38.4Very low35.9Very low119 Ų119114.4 Ų114.477%0.77374%0.736SS**  trans-115.1-171.2-170.343-35.2000117.3
334A33.7Very low35.7Very low93 Ų93111.1 Ų111.177%0.76974%0.737SS**  trans82.4150.6175.100000116.1
335S37.5Very low35.4Very low98 Ų98111.4 Ų111.469%0.68574%0.741SS**  cis-152.1161.820.5-53.30000113.3
336T40.1Very low35.1Very low125 Ų125115.5 Ų115.577%0.76775%0.747SS**  trans48.8138.614750.70000121
337D35.3Very low34.7Very low134 Ų134113.3 Ų113.372%0.71775%0.748SS**  cis-159.7165.213.7-134.7-50.4000114.4
338S37.1Very low34.4Very low84 Ų84116.2 Ų116.259%0.58776%0.759SS**  trans4.1146152.4-62.30000121.1
339Q38.1Very low34Very low166 Ų166114.5 Ų114.578%0.77676%0.756SS**  cis-165.3146.814.6-125.8163.160.500113.3
340S34.8Very low33.7Very low69 Ų69116.8 Ų116.848%0.48376%0.761SS.*  trans24.7148.4147.362.60000122.9
341T34.6Very low33.6Very low140 Ų140120.8 Ų120.886%0.85976%0.762SS**  cis-174.1143.5-8.927.70000103.8
342G32.3Very low33.3Very low81 Ų81120.1 Ų120.184%0.83576%0.756SS**  119.7152.353.100000108
343G28.9Very low32.9Very low83 Ų83122.3 Ų122.386%0.85676%0.761SS**  cis-118145-7.300000111.7
344G32.1Very low32.6Very low81 Ų81120.4 Ų120.484%0.83576%0.763SS**  trans-96.6175.2175.700000112.9
345E29.3Very low32.4Very low176 Ų176119.7 Ų119.782%0.82277%0.766SS**  trans-71161.8177.5-60.6164.867.300113.7
346R31.3Very low32.2Very low216 Ų216118.1 Ų118.182%0.81577%0.765SS**  trans99.4145.6136.8-132.1174.2-160.9140.84.1119.7
347C26.1Very low32.1Very low105 Ų105118.7 Ų118.771%0.70977%0.768SS**  trans44.7111.3168.145.70000117.1
348D28.6Very low32Very low168 Ų168118.8 Ų118.890%0.89877%0.768SS**  -148.4179.957.5-83.4-37.8000111.9
349G29.6Very low31.7Very low55 Ų55120.4 Ų120.457%0.56777%0.77SS**  cis167.2173.2-8.100000111.9
350T30.9Very low31.6Very low138 Ų138116.7 Ų116.785%0.84776%0.763SS**  trans67157.9164.722.80000121.3
351E32.7Very low31.9Very low185 Ų185118.1 Ų118.186%0.86477%0.765SS**  trans71.3158.6161.9-49.1-121.1122.700120
352A29.9Very low32.4Very low74 Ų74116.2 Ų116.261%0.61275%0.749SS**  -168.6137.1-62.400000111
353I29.3Very low32.5Very low178 Ų178115.5 Ų115.591%0.91373%0.734SS**  trans56.8125.2148.2-57.4169.3000119.7
354G31.8Very low32.9Very low79 Ų79120.1 Ų120.181%0.81473%0.731SS**  trans96.1152.4166.600000114.5
355G31.2Very low33.7Very low79 Ų79126 Ų12681%0.81473%0.734SS**  cis172.2142.6-700000110.7
356G32.8Very low35Very low65 Ų65126 Ų12667%0.6773%0.731SS**  trans84.5123.7-176.100000113.4
357V36.8Very low36.6Very low136 Ų136125 Ų12582%0.82473%0.733SS**  82.4118.770.5-63.80000115.2
358D33Very low39.2Very low137 Ų137122.8 Ų122.873%0.73371%0.712SS**  trans82.5128.8149.5-60.3-8000123.2
359N31.9Very low41.8Very low117 Ų117122 Ų12263%0.62670%0.703SS**  trans77.575.4148.3-55.2-29.2000120.4K224K224-N359 PolarHBondContact NZ-ND2 2.87Å; K224-N359 PolarHBondContact NZ-OD1 2.98Å
360S35Very low44.6Very low89 Ų89127.5 Ų127.562%0.62271%0.711SS**  trans-133.6114.5158.3-171.70000113L362S360-L362 VanDerWaalsContact C-N 3.27Å; S360-L362 PolarHBondContact O-N 2.78Å
361L41.2Very low47.3Very low99 Ų99122.3 Ų122.352%0.51869%0.685SS.*THydrogen-bonded Turntrans-81-1.6-180-172.852.5000113.3Q220 Q221 A363Q220-L361 HydrophobicContact CB-CD2 4.33Å; Q221-L361 HydrophobicContact CG-CB 4.2Å; Q221-L361 HydrophobicContact CG-CD2 4.01Å; L361-A363 VanDerWaalsContact C-N 3.32Å; L361-A363 PolarHBondContact O-N 2.96Å
362L45.4Very low50.1Low100 Ų100116 Ų11652%0.52466%0.657SS.*THydrogen-bonded Turntrans-92.216.1-179.7-73.7158.9000113.6H63 S360 F364H63-L362 WeakPolarHBondContact NE2-CD1 3.43Å; S360-L362 VanDerWaalsContact C-N 3.27Å; S360-L362 PolarHBondContact O-N 2.78Å; L362-F364 PolarHBondContact O-N 3.2Å
363A34.6Very low53Low65 Ų65115.6 Ų115.654%0.53765%0.647SS.*  trans-87.318.8-16500000117.1L361 K365 K366L361-A363 VanDerWaalsContact C-N 3.32Å; L361-A363 PolarHBondContact O-N 2.96Å; A363-K365 PolarHBondContact O-N 2.82Å; A363-K366 PolarHBondContact O-N 2.79Å
364F38.1Very low55.8Low181 Ų181110.2 Ų110.279%0.79462%0.619SS**THydrogen-bonded Turntrans-72.610.9172.8-77.3-66.7000114.7L362L362-F364 PolarHBondContact O-N 3.2Å
365K47.7Very low58.5Low203 Ų203112.1 Ų112.188%0.88361%0.61SS**THydrogen-bonded Turntrans-93.52.3171.5-96.2177.8178.6171.40114.7A363 K367A363-K365 PolarHBondContact O-N 2.82Å; K365-K367 PolarHBondContact O-N 2.7Å; K365-K367 VanDerWaalsContact O-N 3.12Å
366K56.1Low61Low178 Ų178110 Ų11077%0.77458%0.581SS**SBendtrans-61.6116.4173.9-160.9166.1-172.71710109.5A363 H368A363-K366 PolarHBondContact O-N 2.79Å; K366-H368 PolarHBondContact O-N 3.12Å
367K66.5Low63.3Low195 Ų195113.6 Ų113.685%0.84859%0.592SS**  trans-67.596.8-174.2-179-174.7175.7-174.30110.5K365 Q369K365-K367 PolarHBondContact O-N 2.7Å; K365-K367 VanDerWaalsContact O-N 3.12Å; K367-Q369 PolarHBondContact O-N 2.86Å
368H80.3Confident65.3Low58 Ų58110.2 Ų110.227%0.26959%0.585SS.*  trans-53.5133-179.4-72.7-64.9000112.9K366 D372 F384 W389K366-H368 PolarHBondContact O-N 3.12Å; H368-D372 WeakPolarHBondContact CA-OD2 3.33Å; H368-D372 WeakPolarHBondContact CB-OD2 3.38Å; H368-D372 IonicContact CE1-OD2 2.7Å; H368-D372 IonicContact CG-OD2 2.72Å; H368-D372 IonicContact ND1-OD2 3.09Å; H368-D372 PolarHBondContact ND1-OD2 2.96Å; H368-F384 HydrophobicContact CB-CB 4.24Å; H368-F384 HydrophobicContact CB-CD1 3.62Å; H368-F384 HydrophobicContact CB-CD2 4.44Å; H368-F384 HydrophobicContact CB-CE1 4.04Å; H368-F384 HydrophobicContact CB-CG 3.85Å; H368-F384 WeakPolarHBondContact O-CD1 3.47Å; H368-F384 VanDerWaalsContact O-CE1 3.26Å; H368-F384 WeakPolarHBondContact O-CE1 3.11Å; H368-W389 AromaticContact CD2-CZ2 3.55Å; H368-W389 AromaticContact CE1-CH2 3.98Å; H368-W389 AromaticContact CE1-CZ2 3.86Å; H368-W389 AromaticContact CG-CZ2 3.8Å; H368-W389 AromaticContact ND1-CH2 3.95Å; H368-W389 AromaticContact ND1-CZ2 3.99Å; H368-W389 AromaticContact NE2-CZ2 3.57Å
369Q83.7Confident67.7Low150 Ų150106.1 Ų106.170%0.70158%0.575SS**  trans-89.8161.5179.4-58.3-163.212.400111.5K367 G371 D372 F384K367-Q369 PolarHBondContact O-N 2.86Å; Q369-G371 PolarHBondContact O-N 3.03Å; Q369-D372 WeakPolarHBondContact CA-OD1 3.41Å; Q369-D372 WeakPolarHBondContact CB-OD1 3.31Å; Q369-D372 VanDerWaalsContact N-CG 3.28Å; Q369-D372 PolarHBondContact N-OD1 2.97Å; Q369-D372 PolarHBondContact N-OD2 2.79Å; Q369-D372 VanDerWaalsContact N-OD2 3.12Å; Q369-D372 PolarHBondContact O-N 2.82Å; Q369-D372 VanDerWaalsContact O-OD1 3.11Å; Q369-F384 WeakPolarHBondContact O-CD1 3.39Å
370K88.5Confident70.3Confident172 Ų172102.8 Ų102.875%0.74856%0.557SS**THydrogen-bonded Turntrans-72.173.8178.6-177.2-154.4168.7-169.10109.9
371G86.9Confident73.1Confident29 Ų29100.3 Ų100.330%0.29953%0.534SS..THydrogen-bonded Turntrans176-41.9-172.100000111.9Q369 V373 K383 F384Q369-G371 PolarHBondContact O-N 3.03Å; G371-V373 PolarHBondContact O-N 2.84Å; G371-K383 WeakPolarHBondContact O-CE 3.49Å; G371-K383 PolarHBondContact O-NZ 3.1Å; G371-F384 PolarHBondContact N-O 3.23Å
372D91.7Very high75.5Confident53 Ų5398.5 Ų98.528%0.28352%0.522SS..  trans-43.7126.9-172.1-62.723.1000113.2H368 Q369 K383 F384H368-D372 WeakPolarHBondContact CA-OD2 3.33Å; H368-D372 WeakPolarHBondContact CB-OD2 3.38Å; H368-D372 IonicContact CE1-OD2 2.7Å; H368-D372 IonicContact CG-OD2 2.72Å; H368-D372 IonicContact ND1-OD2 3.09Å; H368-D372 PolarHBondContact ND1-OD2 2.96Å; Q369-D372 WeakPolarHBondContact CA-OD1 3.41Å; Q369-D372 WeakPolarHBondContact CB-OD1 3.31Å; Q369-D372 VanDerWaalsContact N-CG 3.28Å; Q369-D372 PolarHBondContact N-OD1 2.97Å; Q369-D372 PolarHBondContact N-OD2 2.79Å; Q369-D372 VanDerWaalsContact N-OD2 3.12Å; Q369-D372 PolarHBondContact O-N 2.82Å; Q369-D372 VanDerWaalsContact O-OD1 3.11Å; D372-K383 CarbonylContact O-C 3.57Å; D372-K383 VanDerWaalsContact O-CA 3.23Å; D372-K383 WeakPolarHBondContact O-CA 3.49Å; D372-F384 HydrophobicContact CB-CB 4.22Å; D372-F384 PolarHBondContact O-N 2.86Å
373V89.8Confident77.8Confident65 Ų6597.5 Ų97.539%0.39451%0.513SS..EExtended strand (participates in β ladder)trans-113.2129.3171179.70000108.9G371 K382 K383 L392G371-V373 PolarHBondContact O-N 2.84Å; V373-K382 CarbonylContact C-O 3.49Å; V373-K382 VanDerWaalsContact CA-O 3.27Å; V373-K382 WeakPolarHBondContact CA-O 3.37Å; V373-K383 HydrophobicContact CG2-CB 4.17Å; V373-K383 HydrophobicContact CG2-CD 4.01Å; V373-K383 HydrophobicContact CG2-CG 4.11Å; V373-L392 HydrophobicContact CB-CD1 4.48Å; V373-L392 HydrophobicContact CG1-CD1 3.72Å; V373-L392 HydrophobicContact CG2-CD1 3.86Å
374M88.4Confident80.5Confident65 Ų6596.1 Ų96.132%0.3250%0.495SS..EExtended strand (participates in β ladder)trans-126.4138.8-178.3178.6-174.2-78.200109.6R381 K382 W389M374-R381 CarbonylContact O-C 3.54Å; M374-K382 PolarHBondContact N-O 3.2Å; M374-K382 PolarHBondContact O-N 2.67Å; M374-W389 HydrophobicContact CB-CH2 3.77Å; M374-W389 HydrophobicContact CB-CZ3 3.86Å; M374-W389 HydrophobicContact CE-CH2 3.91Å; M374-W389 HydrophobicContact CE-CZ2 4.04Å; M374-W389 HydrophobicContact SD-CH2 4.08Å; M374-W389 HydrophobicContact SD-CZ2 4.25Å
375L88.7Confident82.7Confident119 Ų11990.4 Ų90.462%0.62347%0.473SS*.EExtended strand (participates in β ladder)trans-90.1128.1165.9-81.767.3000108.5R381L375-R381 HydrophobicContact CD1-CG 4.05Å; L375-R381 HydrophobicContact CG-CG 4.01Å
376T84.3Confident84.6Confident34 Ų3482.6 Ų82.621%0.20945%0.45CS..  trans-80.6144.5169.1-45.40000108.2G378 G379 I380 K382T376-G378 CarbonylContact O-C 3.42Å; T376-G378 PolarHBondContact O-N 3.48Å; T376-G379 PolarHBondContact O-N 2.95Å; T376-I380 WeakPolarHBondContact CB-O 2.89Å; T376-I380 PolarHBondContact N-O 3.49Å; T376-I380 PolarHBondContact O-N 2.88Å; T376-I380 PolarHBondContact OG1-O 3.35Å; T376-K382 WeakPolarHBondContact OG1-CD 3.16Å; T376-K382 WeakPolarHBondContact OG1-CE 3.42Å; T376-K382 PolarHBondContact OG1-NZ 3.4Å
377P80.3Confident86Confident140 Ų14082.1 Ų82.191%0.90945%0.448SS*.THydrogen-bonded Turntrans-47.6-37.1-178.1-33.837000115.7G379P377-G379 PolarHBondContact O-N 2.96Å
378G79.8Confident87.1Confident66 Ų6678.4 Ų78.468%0.6843%0.434SS*.THydrogen-bonded Turntrans-75.938.2170.200000115.3T376 I380T376-G378 CarbonylContact O-C 3.42Å; T376-G378 PolarHBondContact O-N 3.48Å; G378-I380 PolarHBondContact O-N 2.98Å
379G82.3Confident87.5Confident50 Ų5080 Ų8052%0.51544%0.437SS..SBendtrans66.2-0.6177.600000117.6T376 P377 R381T376-G379 PolarHBondContact O-N 2.95Å; P377-G379 PolarHBondContact O-N 2.96Å; G379-R381 PolarHBondContact O-N 3.35Å
380I87.4Confident87.9Confident48 Ų4877.5 Ų77.525%0.24642%0.422CS..  trans-81106.9-172.3-58164.2000111.1T376 G378 K382 R391T376-I380 WeakPolarHBondContact CB-O 2.89Å; T376-I380 PolarHBondContact N-O 3.49Å; T376-I380 PolarHBondContact O-N 2.88Å; T376-I380 PolarHBondContact OG1-O 3.35Å; G378-I380 PolarHBondContact O-N 2.98Å; I380-K382 HydrophobicContact CG2-CG 4.19Å; I380-R391 HydrophobicContact CG2-CG 4.33Å
381R92.4Very high88.1Confident36 Ų3674.8 Ų74.814%0.13641%0.407CS..EExtended strand (participates in β ladder)trans-65.6128.7168.6-61.3175.273.4-129.30.9110.7M374 L375 G379 L392 C393 K395 C398M374-R381 CarbonylContact O-C 3.54Å; L375-R381 HydrophobicContact CD1-CG 4.05Å; L375-R381 HydrophobicContact CG-CG 4.01Å; G379-R381 PolarHBondContact O-N 3.35Å; R381-L392 HydrophobicContact CB-CB 3.98Å; R381-L392 PolarHBondContact O-N 3.17Å; R381-C393 PolarHBondContact NH1-O 3.1Å; R381-K395 PolarHBondContact NH1-O 3.43Å; R381-C398 PolarHBondContact NH1-O 2.82Å
382K92.5Very high88.4Confident62 Ų6273.6 Ų73.627%0.2739%0.394SS..EExtended strand (participates in β ladder)trans-130.5146.1178.2-65.7170.2179.9151.80110.7V373 M374 T376 I380 W389 R390V373-K382 CarbonylContact C-O 3.49Å; V373-K382 VanDerWaalsContact CA-O 3.27Å; V373-K382 WeakPolarHBondContact CA-O 3.37Å; M374-K382 PolarHBondContact N-O 3.2Å; M374-K382 PolarHBondContact O-N 2.67Å; T376-K382 WeakPolarHBondContact OG1-CD 3.16Å; T376-K382 WeakPolarHBondContact OG1-CE 3.42Å; T376-K382 PolarHBondContact OG1-NZ 3.4Å; I380-K382 HydrophobicContact CG2-CG 4.19Å; K382-W389 HydrophobicContact CB-CE3 3.77Å; K382-W389 HydrophobicContact CB-CZ3 4.23Å; K382-R390 CarbonylContact C-O 3.58Å; K382-R390 WeakPolarHBondContact CA-O 3.23Å; K382-R390 WeakPolarHBondContact CB-O 3.42Å
383K93.2Very high88.5Confident78 Ų7871.1 Ų71.134%0.33938%0.38SS..EExtended strand (participates in β ladder)trans-120137.4174.3-177.6160-179.4144.70111.9G371 D372 V373 R390 L392G371-K383 WeakPolarHBondContact O-CE 3.49Å; G371-K383 PolarHBondContact O-NZ 3.1Å; D372-K383 CarbonylContact O-C 3.57Å; D372-K383 VanDerWaalsContact O-CA 3.23Å; D372-K383 WeakPolarHBondContact O-CA 3.49Å; V373-K383 HydrophobicContact CG2-CB 4.17Å; V373-K383 HydrophobicContact CG2-CD 4.01Å; V373-K383 HydrophobicContact CG2-CG 4.11Å; K383-R390 PolarHBondContact N-O 2.64Å; K383-R390 PolarHBondContact O-N 3.21Å; K383-L392 HydrophobicContact CB-CD1 4.07Å; K383-L392 HydrophobicContact CB-CD2 3.87Å; K383-L392 HydrophobicContact CB-CG 3.85Å; K383-L392 HydrophobicContact CD-CD2 4.41Å
384F92.3Very high88.5Confident36 Ų3670.1 Ų70.116%0.15838%0.376CS..EExtended strand (participates in β ladder)trans-86.9120.1175-166.7-114.2000111.4H368 Q369 G371 D372 G386 W389H368-F384 HydrophobicContact CB-CB 4.24Å; H368-F384 HydrophobicContact CB-CD1 3.62Å; H368-F384 HydrophobicContact CB-CD2 4.44Å; H368-F384 HydrophobicContact CB-CE1 4.04Å; H368-F384 HydrophobicContact CB-CG 3.85Å; H368-F384 WeakPolarHBondContact O-CD1 3.47Å; H368-F384 VanDerWaalsContact O-CE1 3.26Å; H368-F384 WeakPolarHBondContact O-CE1 3.11Å; Q369-F384 WeakPolarHBondContact O-CD1 3.39Å; G371-F384 PolarHBondContact N-O 3.23Å; D372-F384 HydrophobicContact CB-CB 4.22Å; D372-F384 PolarHBondContact O-N 2.86Å; F384-G386 VanDerWaalsContact C-N 3.29Å; F384-G386 PolarHBondContact O-N 2.88Å; F384-W389 HydrophobicContact CB-CD2 4.34Å; F384-W389 HydrophobicContact CB-CE3 4Å; F384-W389 HydrophobicContact CB-CH2 4.28Å; F384-W389 HydrophobicContact CB-CZ3 3.97Å; F384-W389 HydrophobicContact CD2-CD2 4.03Å; F384-W389 HydrophobicContact CD2-CG 4.17Å
385N84.3Confident88.4Confident61 Ų6172.6 Ų72.633%0.32639%0.385SS..  trans-91.726.5-179.5-169.881.5000112.4K387 Q388 R390N385-K387 PolarHBondContact O-N 2.86Å; N385-Q388 PolarHBondContact N-O 2.82Å; N385-R390 PolarHBondContact OD1-NH1 3.19Å
386G86.2Confident88.2Confident40 Ų4074.9 Ų74.941%0.41239%0.393SS..SBendtrans69.6-19.6-17500000115.6F384F384-G386 VanDerWaalsContact C-N 3.29Å; F384-G386 PolarHBondContact O-N 2.88Å
387K87.2Confident88.2Confident168 Ų16876.6 Ų76.673%0.7342%0.417SS*.SBendtrans-118.9-29.2176.1-62.5-165.1177.9-166.80114.1N385N385-K387 PolarHBondContact O-N 2.86Å
388Q88.2Confident88.7Confident117 Ų11770.6 Ų70.655%0.54738%0.378SS..SBendtrans-159.4159.3-178.463.5-179-49.900111.2N385N385-Q388 PolarHBondContact N-O 2.82Å
389W90.4Very high89.1Confident90 Ų9072 Ų7234%0.34137%0.37SS..EExtended strand (participates in β ladder)trans-72.7141.3165.9-70.2104.5000111.2H368 M374 K382 F384H368-W389 AromaticContact CD2-CZ2 3.55Å; H368-W389 AromaticContact CE1-CH2 3.98Å; H368-W389 AromaticContact CE1-CZ2 3.86Å; H368-W389 AromaticContact CG-CZ2 3.8Å; H368-W389 AromaticContact ND1-CH2 3.95Å; H368-W389 AromaticContact ND1-CZ2 3.99Å; H368-W389 AromaticContact NE2-CZ2 3.57Å; M374-W389 HydrophobicContact CB-CH2 3.77Å; M374-W389 HydrophobicContact CB-CZ3 3.86Å; M374-W389 HydrophobicContact CE-CH2 3.91Å; M374-W389 HydrophobicContact CE-CZ2 4.04Å; M374-W389 HydrophobicContact SD-CH2 4.08Å; M374-W389 HydrophobicContact SD-CZ2 4.25Å; K382-W389 HydrophobicContact CB-CE3 3.77Å; K382-W389 HydrophobicContact CB-CZ3 4.23Å; F384-W389 HydrophobicContact CB-CD2 4.34Å; F384-W389 HydrophobicContact CB-CE3 4Å; F384-W389 HydrophobicContact CB-CH2 4.28Å; F384-W389 HydrophobicContact CB-CZ3 3.97Å; F384-W389 HydrophobicContact CD2-CD2 4.03Å; F384-W389 HydrophobicContact CD2-CG 4.17Å
390R91.3Very high89.5Confident99 Ų9975.9 Ų75.937%0.37437%0.373SS..EExtended strand (participates in β ladder)trans-125.3154.1175.1-80.5-137.1-165.597.11.5110.1K382 K383 N385 E401K382-R390 CarbonylContact C-O 3.58Å; K382-R390 WeakPolarHBondContact CA-O 3.23Å; K382-R390 WeakPolarHBondContact CB-O 3.42Å; K383-R390 PolarHBondContact N-O 2.64Å; K383-R390 PolarHBondContact O-N 3.21Å; N385-R390 PolarHBondContact OD1-NH1 3.19Å; R390-E401 WeakPolarHBondContact CB-OE1 3.49Å; R390-E401 WeakPolarHBondContact CB-OE2 3.42Å; R390-E401 WeakPolarHBondContact CD-OE2 3.4Å
391R92.1Very high89.6Confident114 Ų11477.2 Ų77.243%0.4338%0.378SS..EExtended strand (participates in β ladder)trans-95119.5-178.1-70-177.5711662.6109.2I380 E401 S402I380-R391 HydrophobicContact CG2-CG 4.33Å; R391-E401 PolarHBondContact N-OE1 3.22Å; R391-E401 CarbonylContact O-C 3.55Å; R391-E401 WeakPolarHBondContact O-CA 3.44Å; R391-S402 PolarHBondContact O-N 2.77Å
392L93.2Very high89.5Confident5 Ų576.5 Ų76.53%0.02638%0.378CS..BIsolated β-bridgetrans-77.4164172.4-67.9-174.3000111V373 R381 K383 S402V373-L392 HydrophobicContact CB-CD1 4.48Å; V373-L392 HydrophobicContact CG1-CD1 3.72Å; V373-L392 HydrophobicContact CG2-CD1 3.86Å; R381-L392 HydrophobicContact CB-CB 3.98Å; R381-L392 PolarHBondContact O-N 3.17Å; K383-L392 HydrophobicContact CB-CD1 4.07Å; K383-L392 HydrophobicContact CB-CD2 3.87Å; K383-L392 HydrophobicContact CB-CG 3.85Å; K383-L392 HydrophobicContact CD-CD2 4.41Å; L392-S402 WeakPolarHBondContact O-CB 3.39Å
393C94.7Very high89.3Confident0 Ų079.6 Ų79.60%039%0.394CS..PPolyproline II helixtrans-60.6133.2167-178.40000111.2R381 C398 K400 G406 C408 H411R381-C393 PolarHBondContact NH1-O 3.1Å; C393-C398 HydrophobicContact CB-CB 3.76Å; C393-C398 VanDerWaalsContact CB-SG 3.58Å; C393-K400 WeakPolarHBondContact CB-O 3.36Å; C393-K400 PolarHBondContact N-O 2.86Å; C393-G406 CarbonylContact C-O 3.58Å; C393-G406 VanDerWaalsContact CA-O 3.24Å; C393-G406 WeakPolarHBondContact CA-O 3.45Å; C393-C408 HydrophobicContact CB-CB 4.08Å; C393-H411 PolarHBondContact SG-ND1 2.93Å
394S89.2Confident88.9Confident44 Ų4484.9 Ų84.931%0.30841%0.412SS..SBendtrans-68.4-33.9179.9-59.20000112.9E396 G406S394-E396 PolarHBondContact O-N 2.82Å; S394-G406 PolarHBondContact N-O 3.2Å; S394-G406 PolarHBondContact OG-O 2.79Å
395K87.1Confident88.5Confident118 Ų11893.2 Ų93.251%0.51344%0.442SS..SBendtrans-54.6127.6171.9-173.665.2177.2175.30109.9R381 C398 Y407R381-K395 PolarHBondContact NH1-O 3.43Å; K395-C398 WeakPolarHBondContact O-CB 3.33Å; K395-C398 PolarHBondContact O-N 2.86Å; K395-Y407 HydrophobicContact CB-CD1 4.3Å; K395-Y407 HydrophobicContact CB-CE1 4.05Å
396E83.6Confident88.7Confident167 Ų16790.5 Ų90.578%0.7843%0.429SS*.THydrogen-bonded Turntrans-58.9158-179.5-64.7173.3157.400112.3S394 C398S394-E396 PolarHBondContact O-N 2.82Å; E396-C398 PolarHBondContact O-N 2.84Å
397G85.2Confident89Confident70 Ų7091.3 Ų91.372%0.72242%0.42SS*.THydrogen-bonded Turntrans65.8-23.8-167.800000115.3N399G397-N399 PolarHBondContact O-N 2.9Å; G397-N399 PolarHBondContact O-ND2 2.91Å
398C90.2Very high89.3Confident13 Ų1383.4 Ų83.49%0.08839%0.386CS..  trans-80.1114.9-171.3-163.60000113R381 C393 K395 E396 C408 H411R381-C398 PolarHBondContact NH1-O 2.82Å; C393-C398 HydrophobicContact CB-CB 3.76Å; C393-C398 VanDerWaalsContact CB-SG 3.58Å; K395-C398 WeakPolarHBondContact O-CB 3.33Å; K395-C398 PolarHBondContact O-N 2.86Å; E396-C398 PolarHBondContact O-N 2.84Å; C398-C408 VanDerWaalsContact SG-SG 3.63Å; C398-H411 PolarHBondContact SG-CE1 3.24Å; C398-H411 PolarHBondContact SG-ND1 3.24Å; C398-H411 VanDerWaalsContact SG-ND1 3.43Å
399N88.6Confident89.3Confident97 Ų9780.4 Ų80.452%0.51938%0.378SS..  trans-102.120.5177.2-75.6-62000114.2G397G397-N399 PolarHBondContact O-N 2.9Å; G397-N399 PolarHBondContact O-ND2 2.91Å
400K89.5Confident89.3Confident130 Ų13084.8 Ų84.857%0.56539%0.394SS*.SBendtrans-89.7152.6173.2-64.4-177.2-173.2-69.30111.3C393 C408C393-K400 WeakPolarHBondContact CB-O 3.36Å; C393-K400 PolarHBondContact N-O 2.86Å; K400-C408 HydrophobicContact CB-CB 3.62Å
401E89.6Confident89.3Confident77 Ų7782 Ų8236%0.3639%0.385SS..BIsolated β-bridgetrans-59.6136.8177-163.669.5-163.700112.3R390 R391 Q403 C408R390-E401 WeakPolarHBondContact CB-OE1 3.49Å; R390-E401 WeakPolarHBondContact CB-OE2 3.42Å; R390-E401 WeakPolarHBondContact CD-OE2 3.4Å; R391-E401 PolarHBondContact N-OE1 3.22Å; R391-E401 CarbonylContact O-C 3.55Å; R391-E401 WeakPolarHBondContact O-CA 3.44Å; E401-Q403 PolarHBondContact O-N 2.87Å; E401-C408 WeakPolarHBondContact O-CA 3.39Å; E401-C408 WeakPolarHBondContact O-CB 3.18Å
402S92Very high89Confident20 Ų2078.8 Ų78.814%0.1438%0.377CS..  trans-68.7114.6168152.60000110.4R391 L392 G406 Y407R391-S402 PolarHBondContact O-N 2.77Å; L392-S402 WeakPolarHBondContact O-CB 3.39Å; S402-G406 VanDerWaalsContact OG-CA 3.26Å; S402-G406 WeakPolarHBondContact OG-CA 3.49Å; S402-Y407 CarbonylContact C-O 3.54Å; S402-Y407 WeakPolarHBondContact CA-O 3.37Å
403Q86.9Confident88.6Confident127 Ų12782.9 Ų82.959%0.59341%0.406SS*.  trans-82.7-46.2174.9-67.2-172.3-12.200112.5E401 Y407E401-Q403 PolarHBondContact O-N 2.87Å; Q403-Y407 PolarHBondContact N-O 2.88Å
404R86Confident87.8Confident189 Ų18988 Ų8871%0.71343%0.432SS*.BIsolated β-bridgetrans-151.3154.4179-62.7-176.1176.6-103.1-1.5110G406 Y407 L412R404-G406 PolarHBondContact O-N 2.83Å; R404-Y407 PolarHBondContact N-O 2.79Å; R404-Y407 PolarHBondContact O-N 2.68Å; R404-L412 HydrophobicContact CB-CD1 4.14Å; R404-L412 HydrophobicContact CB-CD2 3.85Å; R404-L412 HydrophobicContact CG-CD2 4.28Å
405R83.1Confident86.8Confident211 Ų21188 Ų8880%0.79643%0.429SS*.THydrogen-bonded Turntrans49.822.4178.5-66.3-169.8173.6-163.2-1115.4Y407R405-Y407 HydrophobicContact CB-CD2 4.47Å; R405-Y407 VanDerWaalsContact O-CD2 3.31Å; R405-Y407 WeakPolarHBondContact O-CD2 3.33Å
406G88.5Confident85.7Confident5 Ų585.3 Ų85.35%0.05244%0.435CS..THydrogen-bonded Turntrans84.41.8-17500000115.2C393 S394 S402 R404C393-G406 CarbonylContact C-O 3.58Å; C393-G406 VanDerWaalsContact CA-O 3.24Å; C393-G406 WeakPolarHBondContact CA-O 3.45Å; S394-G406 PolarHBondContact N-O 3.2Å; S394-G406 PolarHBondContact OG-O 2.79Å; S402-G406 VanDerWaalsContact OG-CA 3.26Å; S402-G406 WeakPolarHBondContact OG-CA 3.49Å; R404-G406 PolarHBondContact O-N 2.83Å
407Y92.2Very high84.3Confident56 Ų5686.8 Ų86.822%0.2244%0.439CS..BIsolated β-bridgetrans-114.3145.2-176.4-65.1-82000112.8K395 S402 Q403 R404 R405 H411K395-Y407 HydrophobicContact CB-CD1 4.3Å; K395-Y407 HydrophobicContact CB-CE1 4.05Å; S402-Y407 CarbonylContact C-O 3.54Å; S402-Y407 WeakPolarHBondContact CA-O 3.37Å; Q403-Y407 PolarHBondContact N-O 2.88Å; R404-Y407 PolarHBondContact N-O 2.79Å; R404-Y407 PolarHBondContact O-N 2.68Å; R405-Y407 HydrophobicContact CB-CD2 4.47Å; R405-Y407 VanDerWaalsContact O-CD2 3.31Å; R405-Y407 WeakPolarHBondContact O-CD2 3.33Å; Y407-H411 HydrophobicContact CD1-CB 3.8Å; Y407-H411 HydrophobicContact CG-CB 4.39Å
408C93.7Very high82.6Confident2 Ų287 Ų871%0.01443%0.433CS..  trans-72166.2169.4720000111.1C393 C398 K400 E401 R410 H411 L412C393-C408 HydrophobicContact CB-CB 4.08Å; C398-C408 VanDerWaalsContact SG-SG 3.63Å; K400-C408 HydrophobicContact CB-CB 3.62Å; E401-C408 WeakPolarHBondContact O-CA 3.39Å; E401-C408 WeakPolarHBondContact O-CB 3.18Å; C408-R410 VanDerWaalsContact C-N 3.34Å; C408-R410 PolarHBondContact O-N 2.93Å; C408-H411 PolarHBondContact O-N 3.43Å; C408-H411 VanDerWaalsContact O-N 3.09Å; C408-L412 VanDerWaalsContact O-CB 3.29Å; C408-L412 WeakPolarHBondContact O-CB 3.46Å; C408-L412 PolarHBondContact O-N 3.15Å
409S88.7Confident80.1Confident55 Ų5593.6 Ų93.639%0.38546%0.457SS..Hα-helixtrans-45.7-52.8-17845.90000113.7H411 L412 S413S409-H411 PolarHBondContact O-N 2.86Å; S409-L412 PolarHBondContact O-N 3.22Å; S409-S413 PolarHBondContact O-N 3.43Å; S409-S413 PolarHBondContact O-OG 3.37Å
410R89.8Confident77.6Confident181 Ų18194.2 Ų94.268%0.68347%0.47SS*.Hα-helixtrans-58.6-45.4-178.9-175.6169.2174.5152.7-4.6112.3C408 L414C408-R410 VanDerWaalsContact C-N 3.34Å; C408-R410 PolarHBondContact O-N 2.93Å; R410-L414 HydrophobicContact CG-CD1 4.17Å; R410-L414 WeakPolarHBondContact O-CD1 3.38Å; R410-L414 VanDerWaalsContact O-CG 3.29Å; R410-L414 WeakPolarHBondContact O-CG 3.39Å; R410-L414 PolarHBondContact O-N 3.01Å
411H91.7Very high74.9Confident40 Ų4096 Ų9619%0.18548%0.484CS..Hα-helixtrans-79.5-27179.6-64.5142.4000113.5C393 C398 Y407 C408 S409 L414 N415C393-H411 PolarHBondContact SG-ND1 2.93Å; C398-H411 PolarHBondContact SG-CE1 3.24Å; C398-H411 PolarHBondContact SG-ND1 3.24Å; C398-H411 VanDerWaalsContact SG-ND1 3.43Å; Y407-H411 HydrophobicContact CD1-CB 3.8Å; Y407-H411 HydrophobicContact CG-CB 4.39Å; C408-H411 PolarHBondContact O-N 3.43Å; C408-H411 VanDerWaalsContact O-N 3.09Å; S409-H411 PolarHBondContact O-N 2.86Å; H411-L414 PolarHBondContact O-N 3.32Å; H411-N415 WeakPolarHBondContact O-CB 3.48Å; H411-N415 PolarHBondContact O-N 3.43Å
412L85.8Confident72.2Confident47 Ų4798.6 Ų98.625%0.24650%0.501CS..Hα-helixtrans-66.2-39.8172.8-173.969.4000111.2R404 C408 S409 G416R404-L412 HydrophobicContact CB-CD1 4.14Å; R404-L412 HydrophobicContact CB-CD2 3.85Å; R404-L412 HydrophobicContact CG-CD2 4.28Å; C408-L412 VanDerWaalsContact O-CB 3.29Å; C408-L412 WeakPolarHBondContact O-CB 3.46Å; C408-L412 PolarHBondContact O-N 3.15Å; S409-L412 PolarHBondContact O-N 3.22Å; L412-G416 PolarHBondContact O-N 2.96Å
413S84.6Confident69.5Low91 Ų91100.7 Ų100.764%0.63652%0.519SS*.Hα-helixtrans-70.7-29.2173.3-66.90000113.6S409S409-S413 PolarHBondContact O-N 3.43Å; S409-S413 PolarHBondContact O-OG 3.37Å
414L78.2Confident66.8Low107 Ų107101.6 Ų101.656%0.5654%0.538SS*.Hα-helixtrans-77.5-50.5176.5-72.7164.3000111.8R410 H411 G416R410-L414 HydrophobicContact CG-CD1 4.17Å; R410-L414 WeakPolarHBondContact O-CD1 3.38Å; R410-L414 VanDerWaalsContact O-CG 3.29Å; R410-L414 WeakPolarHBondContact O-CG 3.39Å; R410-L414 PolarHBondContact O-N 3.01Å; H411-L414 PolarHBondContact O-N 3.32Å; L414-G416 PolarHBondContact O-N 3.18Å
415N68.9Low64.2Low44 Ų4496.8 Ų96.824%0.23553%0.532CS..Hα-helixtrans-63.1-23.3172.5-83.354.1000112.5H411 K417 A418 Y419H411-N415 WeakPolarHBondContact O-CB 3.48Å; H411-N415 PolarHBondContact O-N 3.43Å; N415-K417 PolarHBondContact O-N 3.34Å; N415-A418 PolarHBondContact O-N 3.14Å; N415-Y419 HydrophobicContact CB-CE2 4.26Å; N415-Y419 WeakPolarHBondContact O-CD2 3.04Å
416G63Low61.9Low62 Ų6294.5 Ų94.564%0.63953%0.53SS*.THydrogen-bonded Turntrans-60.3-10.1-178.600000115.9L412 L414L412-G416 PolarHBondContact O-N 2.96Å; L414-G416 PolarHBondContact O-N 3.18Å
417K55.2Low59.3Low199 Ų199100.9 Ų100.987%0.86556%0.563SS**THydrogen-bonded Turntrans-99.3-8.1175.5-66.2-169.8174.1-169.30115N415N415-K417 PolarHBondContact O-N 3.34Å
418A48.6Very low56.4Low73 Ų73103 Ų10360%0.60359%0.592SS**SBendtrans-113.69.3-169.500000114.7N415N415-A418 PolarHBondContact O-N 3.14Å
419Y38.5Very low53.7Low152 Ų152106.8 Ų106.860%0.59662%0.619SS**  trans-136.369.7-178.6-64.4-85.7000111.3N415N415-Y419 HydrophobicContact CB-CE2 4.26Å; N415-Y419 WeakPolarHBondContact O-CD2 3.04Å
420S35.2Very low51.2Low111 Ų111111.9 Ų111.978%0.77664%0.642SS**SBendtrans-106.1120.8157.9-175.70000106.9
421L33.5Very low48.5Very low167 Ų167111 Ų11187%0.87465%0.648SS**SBendtrans5378.5-175.3-78.8150.3000114.7
422D31.8Very low45.8Very low132 Ų132116.2 Ų116.271%0.70668%0.676SS**  -166170.9128.9-128.2-39000114.9
423A35.3Very low43.2Very low64 Ų64121 Ų12153%0.52970%0.701SS.*  trans62.182.2160.700000118.8
424C31.2Very low40.9Very low146 Ų146123.8 Ų123.899%0.98671%0.708SS**SBendtrans-104.525.1140.5-86.10000111.4
425C31.6Very low38.7Very low88 Ų88123.1 Ų123.160%0.59571%0.712SS**  trans-159.3175.6-175.839.50000108.4
426H33.1Very low37Very low162 Ų162125.6 Ų125.675%0.7573%0.733SS**  trans81.674.8-155.4-58.394.5000111.8
427N34.6Very low35.5Very low139 Ų139128.6 Ų128.674%0.74374%0.739SS**  81.5125.661.7-16723.2000112.1S429N427-S429 PolarHBondContact OD1-OG 3.38Å
428A31.5Very low34.5Very low100 Ų100124.9 Ų124.983%0.82673%0.729SS**  trans-125.891.3176.200000108.6
429S37.8Very low33.7Very low83 Ų83129.6 Ų129.658%0.5874%0.736SS**  trans-147.4116.7175.6-68.10000109.1N427N427-S429 PolarHBondContact OD1-OG 3.38Å
430N35.5Very low33.4Very low162 Ų162129.4 Ų129.487%0.86675%0.745SS**  trans62.1124.1171.2-52.2-15.3000114.8
431M32.8Very low33.1Very low163 Ų163131.9 Ų131.980%0.80374%0.742SS**  cis74.6125.831.2-126-54.517900113.6
432L35.6Very low33.1Very low148 Ų148130.5 Ų130.578%0.77573%0.729SS**  trans70150.5-177.1-49.1174.3000115.5
433L30.7Very low33.2Very low148 Ų148129.7 Ų129.778%0.77573%0.725SS**  cis-165.1179.4-40.7-128.5176.2000107.5
434L37Very low33.1Very low149 Ų149133 Ų13378%0.7873%0.734SS**  trans71.4110.4175.7-58.3149.6000113.5
435S30.4Very low33Very low94 Ų94133.6 Ų133.666%0.65773%0.727SS**  68.213272.674.10000113.8
436S33.5Very low33Very low96 Ų96133.1 Ų133.167%0.67174%0.737SS**  cis-167.3171.4-5.6-87.60000107.9
437T31.1Very low32.9Very low124 Ų124131.7 Ų131.776%0.76174%0.74SS**  trans62.9145.4163.146.50000116.1
438D35.6Very low32.7Very low122 Ų122129.9 Ų129.965%0.65274%0.738SS**  cis-158-1696.6-118.8-10.4000113.4
439F31.9Very low32.8Very low171 Ų171131 Ų13175%0.7574%0.735SS**  trans-32.9168.1171-48.8-82000118.8
440N32.4Very low32.8Very low149 Ų149134.4 Ų134.480%0.79775%0.746SS**  cis-152.5-165.49-143.9-46000113.2
441F29Very low32.8Very low162 Ų162131.8 Ų131.871%0.71174%0.738SS**  trans-99.5131.4-171.3-174.1-118.7000112.2
442K32.1Very low32.9Very low139 Ų139132.1 Ų132.160%0.60474%0.742SS**  trans37.6120.8135.5178.1-160.3151-155.20118.6
443D34.4Very low32.8Very low115 Ų115133.8 Ų133.862%0.61575%0.745SS**  -169.3175104-115.9-34.4000116.1
444N32.6Very low32.7Very low132 Ų132130.4 Ų130.471%0.70674%0.738SS**  trans-39.9140.8-170-52.4-68.1000121.7
445N29.5Very low32.5Very low160 Ų160134.4 Ų134.486%0.85674%0.743SS**  53.869.2125.1-162.171.3000118.4
446G32.5Very low32.7Very low78 Ų78137.2 Ų137.280%0.80475%0.75SS**  trans-105121164.700000112.3
447T30.9Very low32.4Very low132 Ų132136.9 Ų136.981%0.8175%0.748SS**  trans-69.6165.9169.543.60000113.4
448S30.5Very low32.2Very low100 Ų100135.2 Ų135.270%0.69975%0.747SS**  trans85.6106.2144.5-169.20000119.6
449V33.7Very low31.9Very low125 Ų125133.7 Ų133.776%0.75875%0.751SS**  trans66.9104.1132.1-179.80000117.6
450D37Very low31.9Very low153 Ų153134 Ų13482%0.81876%0.757SS**  trans-57.7142.2144.1-42.3-88.6000109
451P36.6Very low31.8Very low108 Ų108134 Ų13470%0.70176%0.757SS**  cis-142.7158.834.140.1-22.1000116.8
452I33Very low31.8Very low170 Ų170129.2 Ų129.287%0.87275%0.747SS**  trans-133.792.1151.5-57.6-177.2000109.4
453E34.5Very low31.7Very low183 Ų183133.3 Ų133.386%0.85576%0.759SS**  trans-80.4171.6150.1-160.6177.7-167.400108.9
454A28.1Very low31.5Very low76 Ų76135.2 Ų135.263%0.62876%0.762SS**  trans7072.2171.600000118.2
455R32.8Very low31.5Very low234 Ų234135.1 Ų135.188%0.88376%0.757SS**SBendtrans-179.5118.3141.9-103.7161.3169-176.7-4.3108.9
456L34.1Very low31.5Very low153 Ų153133 Ų13380%0.80175%0.75SS**  cis-117.9149.2-0.4-6099.3000108.5
457S28.3Very low31.3Very low89 Ų89133.3 Ų133.362%0.62274%0.74SS**  cis58.6836.8590000117.9
458A27.5Very low31.2Very low89 Ų89134.3 Ų134.374%0.73674%0.74SS**  trans79.1155.8152.200000120.6
459A27.8Very low31.2Very low90 Ų90136.9 Ų136.974%0.74474%0.741SS**  trans81.1143.8173.700000118.6
460M31.8Very low31.2Very low178 Ų178137.1 Ų137.188%0.87774%0.738SS**  trans68.7113.9173.8-58174.5-173.700116.2
461D30.2Very low30.9Very low148 Ų148133.3 Ų133.379%0.79173%0.734SS**  cis-150.1159.3-5.2-125-39000117.1
462A29.6Very low30.7Very low61 Ų61134.2 Ų134.250%0.50473%0.729SS.*  trans-26.6142.2177.700000121.2
463R29.8Very low30.5Very low225 Ų225132.9 Ų132.985%0.84972%0.719SS**  trans77.9152.5150.4-58.3152.2-170.6-179.14116
464F31.5Very low30.7Very low155 Ų155131.7 Ų131.768%0.6871%0.711SS**  cis-141.9150.54.5-147.8-145.1000111.8
465E31.4Very low31.2Very low131 Ų131134 Ų13461%0.61272%0.719SS**  trans37.1114.1142.6-78.6-177.9-170.600119.2
466T29.2Very low30.9Very low115 Ų115129.5 Ų129.571%0.70671%0.706SS**  51.2134.195.165.50000112.6
467S29Very low30.6Very low84 Ų84128.8 Ų128.859%0.58770%0.699SS**  cis167.4159.16.5-87.40000101.3
468D28.4Very low30.6Very low154 Ų154131.9 Ų131.982%0.82471%0.708SS**  trans64.6146.8163.1-52-41.5000115.5
469E31.6Very low30.5Very low154 Ų154132.1 Ų132.172%0.7271%0.71SS**  cis-151.3166.58.8-143.3-159.3143.400110.8
470L32.5Very low30.4Very low130 Ų130135.2 Ų135.268%0.68171%0.711SS**  trans63.2-176.9157.4-62.9164000117
471G30.4Very low30.1Very low72 Ų72138.8 Ų138.874%0.74272%0.715SS**  trans116.26.5-179.100000117.1
472H34.1Very low29.9Very low127 Ų127135.1 Ų135.159%0.58870%0.7SS**  trans38.4106.5152.6-83.458.3000118.3
473Q28.1Very low29.8Very low143 Ų143143 Ų14367%0.66872%0.717SS**  77.5119.295.3-73.617133.900113.6
474K39Very low29.8Very low157 Ų157138 Ų13868%0.68371%0.711SS**  58.112478.2-63.5-173.8-174.5-176.60111.7F476K474-F476 HydrophobicContact CB-CD2 4.09Å; K474-F476 HydrophobicContact CD-CD2 3.92Å; K474-F476 HydrophobicContact CD-CE2 3.76Å
475P38.3Very low29.7Very low125 Ų125138.1 Ų138.181%0.81272%0.719SS**  -90.214976.5-24.737.9000113.7
476F27Very low29.7Very low139 Ų139135 Ų13561%0.6172%0.722SS**  cis68.2122.448.1-82.7-120000112.4K474K474-F476 HydrophobicContact CB-CD2 4.09Å; K474-F476 HydrophobicContact CD-CD2 3.92Å; K474-F476 HydrophobicContact CD-CE2 3.76Å
477E27.4Very low30Very low139 Ų139138.7 Ų138.765%0.6573%0.733SS**  cis96.814946.3-164-154.6-113.700111.2
478L27.6Very low30.2Very low153 Ų153138.7 Ų138.780%0.80174%0.739SS**  trans43.192.7158-104.563.5000118.7
479A26Very low30.3Very low94 Ų94136.8 Ų136.878%0.77774%0.735SS**  trans-151.7136.8144.500000112.7
480M25.3Very low30.3Very low155 Ų155137.5 Ų137.576%0.76474%0.742SS**  trans18131.1144.1-45.4-55.8-178.500118.1
481R25.7Very low30.3Very low254 Ų254136.2 Ų136.296%0.95874%0.739SS**SBendcis49.844.615.5-151.8-174.7-174.41733.2115.8
482S26.4Very low30.6Very low71 Ų71139.3 Ų139.350%0.49775%0.746SS.*  trans166.4142.9156.5-173.70000111.5
483R28.2Very low30.5Very low227 Ų227138.2 Ų138.286%0.85775%0.753SS**  trans63.7121.9157.3-75.3164-169.7173.71.5117.6
484V29.9Very low30.6Very low119 Ų119135.9 Ų135.972%0.72176%0.758SS**  93.4141.661.1160.40000111.6
485D29.5Very low30.2Very low157 Ų157132.6 Ų132.684%0.8476%0.76SS**  trans73.8119.8175.2-60.4-31000120.9
486G31.4Very low29.9Very low66 Ų66134.1 Ų134.168%0.6876%0.762SS**  87.592.6127.700000120.6
487M34.2Very low30.1Very low192 Ų192132.8 Ų132.895%0.94677%0.765SS**  176.7150.999-109.246.4165.700112.2
488A33.2Very low30.3Very low84 Ų84133.1 Ų133.169%0.69477%0.77SS**  trans-81.5151.5-160.800000116.3
489P29.9Very low30.5Very low115 Ų115134.2 Ų134.275%0.74777%0.771SS**  trans-80.8125.9160.933-30.9000110.6T491P489-T491 PolarHBondContact O-N 2.92Å
490I32.1Very low30.9Very low169 Ų169134.5 Ų134.587%0.86777%0.774SS**  trans-86.195.6177-56.5-178.7000110
491T32.7Very low31.3Very low102 Ų102139.2 Ų139.263%0.62678%0.783SS**  trans-90.9145.1157.763.30000109.4P489 S493P489-T491 PolarHBondContact O-N 2.92Å; T491-S493 PolarHBondContact O-N 3.19Å; T491-S493 VanDerWaalsContact O-N 3.16Å
492P37.3Very low31.8Very low137 Ų137130.4 Ų130.489%0.8977%0.771SS**  trans-83.271.5158.733.6-31000109.1
493S31.5Very low32.1Very low105 Ų105138.3 Ų138.373%0.73479%0.792SS**  trans-74.2164.1158.7-167.20000109.6T491T491-S493 PolarHBondContact O-N 3.19Å; T491-S493 VanDerWaalsContact O-N 3.16Å
494A29.3Very low32.2Very low94 Ų94139 Ų13978%0.77779%0.794SS**  trans-82.5159.9-167.700000115.1
495A31.3Very low32.2Very low87 Ų87137.8 Ų137.872%0.71980%0.797SS**  trans80.391.9157.700000119.7
496D31.9Very low32.3Very low158 Ų158134.4 Ų134.485%0.84579%0.791SS**  -104.1136.5123.7-85.6-53.2000107.1
497V31.5Very low32.2Very low111 Ų111136 Ų13667%0.67379%0.791SS**  cis101.6135.635.1169.70000111.7
498L32.3Very low32Very low145 Ų145133.3 Ų133.376%0.75978%0.78SS**  trans68.593.5176.9-98.867.8000120.4
499Q31.5Very low31.8Very low176 Ų176136.5 Ų136.582%0.82278%0.78SS**  73.586.6107.7-167.2178.615.500120.9
500A34.5Very low31.7Very low101 Ų101139 Ų13984%0.83578%0.782SS**  trans-157.1106.514000000115.1
501R32.9Very low31.8Very low253 Ų253135.3 Ų135.396%0.95577%0.771SS**  trans11.4118.2151.6-68.3173.6161.5147.2-5.9121.6
502G35.6Very low31.9Very low69 Ų69137.3 Ų137.371%0.71178%0.777SS**  trans83.7155.3134.800000117.6
503Y33.8Very low31.8Very low238 Ų238137.8 Ų137.893%0.93377%0.772SS**  cis-132.5156.2-1-108.3-99.4000111.3
504R30.6Very low32.1Very low241 Ų241136.4 Ų136.491%0.90978%0.775SS**  trans-89.3159.5167.2-79-178.7170.3165.1-4.1110.8
505A29.9Very low32.7Very low93 Ų93138 Ų13877%0.76977%0.77SS**  trans99.5136.713700000119.9
506A30.8Very low33.1Very low87 Ų87140.5 Ų140.572%0.71977%0.765SS**  trans78.4124136.600000120.7
507S29.1Very low33.3Very low98 Ų98144.2 Ų144.269%0.68577%0.767SS**  77.7117125.1-67.70000122.3
508I29.2Very low33.5Very low137 Ų137142.1 Ų142.170%0.70377%0.768SS**  76.6123.7119.3-63.4170.5000118.8
509Q29.6Very low33.6Very low151 Ų151145.5 Ų145.571%0.70678%0.777SS**  trans72.4132.6154.5-77.6165.6-15.900121.3
510Q29.1Very low33.7Very low166 Ų166145.5 Ų145.578%0.77677%0.771SS**  trans54.1132.9132.9-56.9166.28.400117.6
511S32.6Very low33.7Very low93 Ų93147.6 Ų147.665%0.6577%0.773SS**  176.8138.555.8-156.50000111.9
512L35.4Very low33.6Very low143 Ų143145.1 Ų145.175%0.74976%0.764SS**  trans56.7127.2143.4-65.3173.7000123.7
513N35.4Very low33.2Very low147 Ų147146.6 Ų146.679%0.78676%0.763SS**  trans85.398.4132.3-64.8-7.8000122.7
514G37.4Very low33.6Very low77 Ų77140.3 Ų140.379%0.79475%0.752SS**  110.8151.912000000118
515D41.5Very low33.6Very low126 Ų126135.5 Ų135.567%0.67475%0.748SS**  cis-164.4163.8-13.4-164.37000111.3
516K40Very low33.7Very low141 Ų141136.6 Ų136.661%0.61375%0.751SS**  trans69.5112.7160.3-70.1140.1179.3131.10121.6
517R37.1Very low33.9Very low235 Ų235138.2 Ų138.289%0.88775%0.751SS**  59.2128.6124.6-55.3166.7-163.2-153.42.4118.9
518G36.2Very low33.9Very low68 Ų68141.8 Ų141.870%0.70176%0.757SS**  cis129.8147.8-7.500000114
519F33.3Very low33.8Very low216 Ų216142.1 Ų142.195%0.94776%0.761SS**  trans-165.4152.8147-115.1-81.3000110.4
520Y32.8Very low33.9Very low176 Ų176142.2 Ų142.269%0.6977%0.765SS**  trans-87.6170.9179.2-99.9-114.1000110.9R522Y520-R522 HydrophobicContact CD1-CB 4.48Å; Y520-R522 HydrophobicContact CE1-CB 4.49Å
521V34.9Very low33.9Very low145 Ų145138.6 Ų138.688%0.87976%0.763SS**  cis-134.9168.537.1177.30000112
522R30.4Very low33.6Very low200 Ų200139.5 Ų139.576%0.75577%0.769SS**  trans-138.8155.3-151.4-142.6-172.2-178.4158.4-4.3114.3Y520Y520-R522 HydrophobicContact CD1-CB 4.48Å; Y520-R522 HydrophobicContact CE1-CB 4.49Å
523S28.3Very low33.4Very low100 Ų100139.6 Ų139.670%0.69977%0.765SS**  trans-96.2-169.1158.3-136.40000109.2
524P42.4Very low33.3Very low107 Ų107142.1 Ų142.170%0.69576%0.764SS**  cis-126.7-163.9-37.338.2-20.2000111.5
525V31.1Very low32.9Very low139 Ų139147.7 Ų147.784%0.84277%0.769SS**  trans26.5123.1148175.80000120.5
526S31.8Very low32.4Very low116 Ų116145.1 Ų145.181%0.81177%0.773SS**  trans-160.3165.9140.1-164.40000111.7
527V33.7Very low31.9Very low122 Ų122146.3 Ų146.374%0.73979%0.785SS**  trans-116.7169171.8177.80000109
528Q29.6Very low31.7Very low173 Ų173141.3 Ų141.381%0.80878%0.775SS**  trans85142.6166.7-89.4150.9-10.900120.6
529D28.3Very low31.2Very low144 Ų144142.7 Ų142.777%0.7777%0.774SS**  trans101.8140.1143.7-91.7-33.1000125.4
530L31.5Very low31.2Very low152 Ų152138.8 Ų138.880%0.79676%0.76SS**  trans67.976.9153.5-65.3166.4000122
531A28.6Very low31.3Very low90 Ų90137.9 Ų137.974%0.74476%0.762SS**  46.2132.3106.700000123.1
532C26.3Very low31.2Very low113 Ų113136.8 Ų136.876%0.76476%0.756SS**  trans71.4111.8136.6-165.20000120.3
533Q31.9Very low31.2Very low144 Ų144133.5 Ų133.567%0.67375%0.753SS**  -167.6139.2108.7-107.617489.400115
534R31.8Very low31.6Very low201 Ų201135.9 Ų135.976%0.75876%0.758SS**  trans60.8127.2143.9-72.5176.4160.7132.9-8119
535E28.9Very low31.1Very low193 Ų193135.7 Ų135.790%0.90277%0.765SS**  62.5106.861.7-61.6-98.4133.100112.5
536G32.1Very low31.2Very low73 Ų73132.5 Ų132.575%0.75376%0.76SS**  trans157.578.7172.200000116.5
537L29.2Very low31.5Very low165 Ų165135.7 Ų135.786%0.86476%0.762SS**  38.3142.2128.3-79.1162.3000122
538L32.3Very low32.1Very low130 Ų130134 Ų13468%0.68175%0.754SS**  trans79127.8170.7-51.6163.3000113.2M540L538-M540 HydrophobicContact CB-CE 3.9Å; L538-M540 HydrophobicContact CB-SD 4.5Å; L538-M540 HydrophobicContact CD1-CE 3.85Å; L538-M540 HydrophobicContact CD2-CE 4.14Å; L538-M540 HydrophobicContact CG-CE 4.16Å
539S26Very low32.3Very low98 Ų98133.1 Ų133.169%0.68575%0.754SS**  cis79161.643.6-56.10000113.2
540M33.3Very low32.6Very low134 Ų134129.5 Ų129.566%0.6675%0.751SS**  trans59.2140.8-166.927.7-71.4-176.400116.7L538L538-M540 HydrophobicContact CB-CE 3.9Å; L538-M540 HydrophobicContact CB-SD 4.5Å; L538-M540 HydrophobicContact CD1-CE 3.85Å; L538-M540 HydrophobicContact CD2-CE 4.14Å; L538-M540 HydrophobicContact CG-CE 4.16Å
541E34Very low32.7Very low157 Ų157127 Ų12773%0.73475%0.752SS**  cis176.4144.4-33.4-114.8159.5107.200107.3
542T33Very low32.9Very low122 Ų122128.4 Ų128.475%0.74876%0.757SS**  trans63.9160.9153.3640000117.4
543D31.7Very low33.2Very low130 Ų130127.2 Ų127.270%0.69575%0.75SS**  cis-153.2177.41.6-141.6-27.7000113
544L35.7Very low33.6Very low151 Ų151127.3 Ų127.379%0.79175%0.752SS**  trans66.8106.1160.1-62.2158.1000116.2
545A31.7Very low33.6Very low103 Ų103123.7 Ų123.785%0.85175%0.748SS**  cis87.8139.333.200000115.7
546G34.2Very low33.6Very low72 Ų72119.3 Ų119.374%0.74274%0.737SS**  trans132.267.9-170.100000112.1
547H37Very low33.6Very low183 Ų183123.1 Ų123.185%0.84774%0.735SS**  76.314968.6-120.2-126.7000113.5
548P47.7Very low33.6Very low86 Ų86119.1 Ų119.156%0.55873%0.726SS**  -148.3-137.7-110.439.6-13.8000113.6
549N33.6Very low33.6Very low154 Ų154121.6 Ų121.682%0.82473%0.734SS**  trans93.3152.2155.7-65.3-35.2000120.5
550G34.4Very low33.7Very low68 Ų68122.3 Ų122.370%0.70174%0.739SS**  trans107.289-179.800000111.8
551A33.6Very low33.7Very low99 Ų99119.2 Ų119.282%0.81874%0.742SS**  56.7130.261.800000111.8
552S33.2Very low33.4Very low120 Ų120120.5 Ų120.584%0.83975%0.748SS**  cis-166.8174.89.6-104.60000107.3
553S33Very low33.3Very low89 Ų89120.2 Ų120.262%0.62275%0.746SS**  cis-179.2-171.5-15.9178.90000105.4
554M38.5Very low33.2Very low145 Ų145118.4 Ų118.471%0.71474%0.743SS**  trans62.3112.5167.2-30.1-89.350.800115.3
555N33.5Very low33.1Very low126 Ų126118.6 Ų118.667%0.67474%0.74SS**  cis54.3894.3-163.620.9000117.6
556C28.7Very low33.2Very low100 Ų100121 Ų12168%0.67673%0.733SS**  trans-123.5128.3140.5-70.10000106.5
557Q30.7Very low33.2Very low154 Ų154124.1 Ų124.172%0.7273%0.733SS**  63.6141.555.5-61.4178.5-39.600112.9
558A29Very low33.1Very low81 Ų81119.1 Ų119.167%0.66973%0.731SS**  cis-174.1-157-15.900000106.3
559Q32.3Very low32.6Very low181 Ų181118.4 Ų118.485%0.84674%0.739SS**  trans75.1123.5165.9-51.5178.245.700114.1
560S28Very low32.5Very low114 Ų114117.2 Ų117.280%0.79774%0.743SS**  cis109.8122.217.572.10000112.6
561G33.6Very low32.4Very low69 Ų69117.5 Ų117.571%0.71174%0.738SS**  trans120.1149.9177.800000111.9
562Q29.2Very low32.3Very low183 Ų183119.7 Ų119.786%0.85573%0.732SS**  cis176.6140.2-25.6-120.9-169.5-37.100105.7
563V29.6Very low32.3Very low117 Ų117119.6 Ų119.671%0.70973%0.726SS**  trans74.6121.5140.2171.90000121.3
564S29.6Very low32.2Very low91 Ų91122.7 Ų122.764%0.63672%0.724SS**  trans70.4158.4146.1-790000122.4
565Q33.4Very low32Very low156 Ų156126.2 Ų126.273%0.72973%0.729SS**  cis-172.7158.8-26.6-113.2171.3-26.300110.1
566H33.3Very low31.9Very low153 Ų153126.5 Ų126.571%0.70874%0.736SS**  trans61.7159.6160.5-79.4-123.5000117.3
567D35.2Very low32.2Very low137 Ų137131.6 Ų131.673%0.73375%0.746SS**  cis-141.5154.6-12.6-111.6-40.7000106.2
568G34.9Very low32.3Very low79 Ų79130.6 Ų130.681%0.81475%0.751SS**  95.4128.761.600000110.6
569G36.2Very low32.7Very low70 Ų70134.8 Ų134.872%0.72275%0.754SS**  cis171.3-178.7-500000111.8
570S31.6Very low32.7Very low129 Ų129133.2 Ų133.290%0.90275%0.747SS**  trans72.6152.7166.9-68.40000120
571A32.3Very low32.9Very low74 Ų74134 Ų13461%0.61274%0.737SS**  cis-172.9152-18.400000114.2
572Q33.1Very low32.9Very low145 Ų145134.6 Ų134.668%0.67873%0.731SS**  trans67.7163.5154.5-68.7178.248.200117.2
573V31.5Very low33.1Very low118 Ų118133.5 Ų133.572%0.71573%0.73SS**  cis-155.6173.59.396.60000110.3
574R32Very low33.1Very low154 Ų154131.7 Ų131.758%0.58172%0.723SS**  -155.1152.7-68.1-91.9-177.5-168.51061.8109.5
575R34.1Very low33Very low219 Ų219136 Ų13683%0.82673%0.733SS**  trans75.6131.4163.3-63.9159.4178156.7-2117.3
576T32.6Very low32.7Very low132 Ų132135.1 Ų135.181%0.8173%0.732SS**  cis84121.626.674.60000117.7
577K35.1Very low32.4Very low207 Ų207131.3 Ų131.390%0.972%0.719SS**  -161.9155.4125-140169.8-176.1176.50113.1
578T32.5Very low32.1Very low134 Ų134133.9 Ų133.982%0.82272%0.724SS**  trans-132.1157.4-17648.50000112.4
579K35.9Very low31.8Very low168 Ų168134.9 Ų134.973%0.7372%0.719SS**  trans-159.5141.6143.4-102.9-151.9161.8-140.10107.9E581K579-E581 IonicContact NZ-OE1 2.62Å; K579-E581 IonicContact NZ-OE2 2.93Å; K579-E581 PolarHBondContact NZ-OE2 2.86Å
580H33Very low31.8Very low149 Ų149135.7 Ų135.769%0.6971%0.711SS**  69.3137.351.6-133.3-112.4000111
581E32.9Very low31.6Very low129 Ų129131.4 Ų131.460%0.60369%0.688SS**  cis-121.7157.819.7-107.7105107.700111K579K579-E581 IonicContact NZ-OE1 2.62Å; K579-E581 IonicContact NZ-OE2 2.93Å; K579-E581 PolarHBondContact NZ-OE2 2.86Å
582S33.6Very low31.4Very low83 Ų83134.3 Ų134.358%0.5868%0.684SS**  60.3142.469.9-43.90000113.1
583L33.6Very low31Very low159 Ų159132 Ų13283%0.83268%0.676SS**  cis-14515125.1-70.5163.5000107.9
584S28.4Very low31.2Very low80 Ų80129.3 Ų129.356%0.55966%0.656SS**  cis97.512832.780.70000115.1
585Q27.4Very low31.3Very low180 Ų180126.9 Ų126.984%0.84166%0.66SS**  trans70.3166.4171.2-57.9152.3-13.900114.2
586I28.3Very low31.1Very low138 Ų138120.8 Ų120.871%0.70865%0.651SS**  cis-135.6159.917.9-60.6164.8000112.2
587V26.4Very low30.8Very low73 Ų73120.9 Ų120.944%0.44265%0.651SS.*  trans-34.9149.9161.1-164.90000114.1F1046V587-F1046 HydrophobicContact CB-CE2 4.26Å; V587-F1046 HydrophobicContact CG1-CE2 4.48Å; V587-F1046 HydrophobicContact CG2-CD2 4.42Å; V587-F1046 HydrophobicContact CG2-CE2 3.9Å
588F28.9Very low30.5Very low192 Ų192115.8 Ų115.884%0.84264%0.642SS**  -166.4169.992.9-98.2-75.1000115.9
589S28.2Very low30.3Very low99 Ų99114.8 Ų114.869%0.69264%0.635SS**  trans-90.4-179.8-160.9-43.10000114.4
590P36.8Very low29.8Very low87 Ų87117 Ų11757%0.56564%0.64SS**  trans-87.5167.3-168.938-36.2000114L997P590-L997 HydrophobicContact CB-CB 4.41Å; P590-L997 HydrophobicContact CB-CD1 3.42Å; P590-L997 VanDerWaalsContact CB-CD1 3.42Å
591G26.5Very low29.6Very low40 Ų40113.8 Ų113.841%0.41264%0.635SS.*  trans-177.7160.1173.800000113.2
592Y29Very low29.4Very low134 Ų134114 Ų11453%0.52565%0.645SS.*  trans-106115.3-164.8-31.4-82.3000110.9R994 F995 D996 L997Y592-R994 WeakPolarHBondContact O-CD 3.26Å; Y592-F995 VanDerWaalsContact CA-CB 3.46Å; Y592-F995 VanDerWaalsContact CD1-O 3.32Å; Y592-F995 WeakPolarHBondContact CD1-O 3.26Å; Y592-D996 VanDerWaalsContact CD1-O 3.23Å; Y592-D996 WeakPolarHBondContact CD1-O 3.23Å; Y592-L997 HydrophobicContact CE1-CB 4.44Å
593D25.6Very low29.1Very low96 Ų96115 Ų11551%0.51366%0.659SS.*  trans-151.485.8-171-158.4109.9000116.5R994 F995D593-R994 VanDerWaalsContact CA-CZ 3.47Å; D593-R994 VanDerWaalsContact CG-NH2 3.31Å; D593-R994 IonicContact OD1-CZ 2.79Å; D593-R994 IonicContact OD1-NH1 3.25Å; D593-R994 PolarHBondContact OD1-NH1 2.83Å; D593-R994 IonicContact OD1-NH2 3.17Å; D593-R994 IonicContact OD2-CZ 3.83Å; D593-R994 VanDerWaalsContact OD2-CZ 3.25Å; D593-R994 IonicContact OD2-NH1 2.78Å; D593-R994 PolarHBondContact OD2-NH1 3.07Å; D593-R994 IonicContact OD2-NH2 2.71Å; D593-R994 PolarHBondContact OD2-NH2 3.3Å; D593-F995 HydrophobicContact CB-CD2 4.22Å; D593-F995 HydrophobicContact CB-CE2 4.01Å; D593-F995 VanDerWaalsContact N-CG 3.28Å; D593-F995 VanDerWaalsContact O-CE1 3.25Å; D593-F995 WeakPolarHBondContact O-CE1 3.24Å; D593-F995 WeakPolarHBondContact O-CE2 3.33Å; D593-F995 WeakPolarHBondContact O-CZ 3.48Å
594E35.2Very low28.9Very low63 Ų63110.8 Ų110.829%0.29465%0.647SS.*  trans-140.5172.1169.2118.9-7097.400112.9T993 R994 F995E594-T993 WeakPolarHBondContact O-CG2 3.48Å; E594-R994 PolarHBondContact O-NE 3.06Å; E594-R994 PolarHBondContact O-NH2 3Å; E594-R994 WeakPolarHBondContact OE2-CA 3.46Å; E594-F995 HydrophobicContact CB-CD1 3.55Å; E594-F995 HydrophobicContact CB-CE1 3.51Å; E594-F995 HydrophobicContact CB-CG 4.5Å; E594-F995 HydrophobicContact CB-CZ 4.43Å; E594-F995 HydrophobicContact CG-CD1 4.42Å; E594-F995 PolarHBondContact OE2-N 3.2Å
595P34Very low28.9Very low103 Ų103114.8 Ų114.867%0.66966%0.656SS**  trans-141.9168.1160.639.7-23.9000116.1
596S30.4Very low29Very low91 Ų91114.2 Ų114.264%0.63665%0.654SS**  trans-111138.8175.458.30000114.7
597T26Very low29Very low134 Ų134112.5 Ų112.582%0.82266%0.66SS**  trans-167.2132.8163.210.10000107.8
598S29Very low29.2Very low99 Ų99112 Ų11269%0.69267%0.67SS**  cis57.3111.243-151.30000111
599V27.6Very low29.3Very low113 Ų113108 Ų10869%0.68567%0.666SS**  -160.2154.853.5-86.50000111.7
600Y25.9Very low29.2Very low214 Ų214107.8 Ų107.884%0.83966%0.663SS**  trans61.6163.4146.6-82.5-130.4000118.7
601S28.1Very low28.9Very low82 Ų82111.8 Ų111.857%0.57367%0.674SS**  cis-176.3157.7-33.9-940000107
602T28Very low29.1Very low133 Ų133118.6 Ų118.682%0.81670%0.695SS**  trans39.399.4147.4-480000119
603A27.7Very low29.5Very low106 Ų106121 Ų12188%0.87671%0.711SS**  trans-145.799.214100000110
604A28.7Very low30Very low70 Ų70123.2 Ų123.258%0.57972%0.723SS**  trans-62.7-170.417700000115.1
605Q30.3Very low30.1Very low163 Ų163127 Ų12776%0.76274%0.741SS**  trans78.7143.4151.8-65.8148.2-2.200116.3
606Q28.2Very low30.2Very low169 Ų169129.1 Ų129.179%0.7975%0.747SS**  cis-164.9172.8-2.8-125.4159.5-900113
607A29.3Very low30.7Very low102 Ų102131.7 Ų131.784%0.84375%0.753SS**  trans81.2139.8152.400000120.8
608G29.9Very low31.4Very low63 Ų63131.9 Ų131.965%0.64975%0.749SS**  trans85.4123.3176.200000113.9
609S30.7Very low32Very low107 Ų107133.9 Ų133.975%0.74875%0.752SS**  cis54.2145.310.682.80000115.4
610C26.1Very low32.8Very low94 Ų94133.2 Ų133.264%0.63575%0.748SS**  cis-120.1154.66.9-41.60000108.7
611E30.5Very low33.2Very low171 Ų171132.9 Ų132.980%0.79975%0.751SS**  68.6169.269.3-50.2166.6124.700114.3
612E30.8Very low33.8Very low183 Ų183135.5 Ų135.586%0.85576%0.759SS**  trans82.2148.6-179.5-61.8170.6175.900116
613E37.1Very low34.4Very low185 Ų185134.4 Ų134.486%0.86475%0.754SS**  trans-117.6-101.7-151.2-67.9172.911500111.9
614D36.2Very low34.5Very low143 Ų143134.2 Ų134.277%0.76575%0.753SS**  trans53.991177-48.2-19000113.8
615E38.7Very low34.6Very low142 Ų142135.4 Ų135.466%0.66476%0.763SS**  67.6155.663.3-52.6-154109.700114.7
616D35.4Very low34.8Very low148 Ų148131.7 Ų131.779%0.79176%0.76SS**  trans71.9162.2165.5-56.9-31.5000122.8
617D40.9Very low35.2Very low145 Ų145132 Ų13278%0.77576%0.762SS**  trans63.989.6166.5-61-25.3000120.3
618D40.9Very low35.9Very low137 Ų137134.7 Ų134.773%0.73376%0.758SS**  22.8148.2112.5-65.3-68000120
619D41.4Very low36.2Very low141 Ų141137.9 Ų137.975%0.75476%0.761SS**  cis-155.7130.245-143.6-13.9000114.5
620V44.8Very low36.4Very low100 Ų100139.7 Ų139.761%0.60676%0.757SS**  trans15.7128.9137.9-179.30000119.9N622V620-N622 HydrophobicContact CG1-CB 3.41Å; V620-N622 VanDerWaalsContact CG1-CB 3.41Å; V620-N622 PolarHBondContact O-N 2.91Å
621F34.7Very low36.8Very low206 Ų206141.5 Ų141.590%0.90477%0.765SS**  trans-93.284.8159.4-174.5-93000110.8
622N39.9Very low36.9Very low138 Ų138137.5 Ų137.574%0.73876%0.757SS**  trans-120.5154.5174.1-155.534000109.8V620V620-N622 HydrophobicContact CG1-CB 3.41Å; V620-N622 VanDerWaalsContact CG1-CB 3.41Å; V620-N622 PolarHBondContact O-N 2.91Å
623P40Very low37.1Very low109 Ų109135.6 Ų135.671%0.70875%0.751SS**  trans-103.2156.6-170.537.2-30.2000114.8
624A29.6Very low36.8Very low102 Ų102134.3 Ų134.384%0.84375%0.75SS**  trans90.5158.9160.600000119.8
625A31.7Very low36.6Very low96 Ų96131 Ų13179%0.79375%0.749SS**  trans76.7113.8165.300000121.3
626A35.2Very low36.3Very low85 Ų85131.4 Ų131.470%0.70276%0.756SS**  trans52.7129.6131.100000124
627E36.4Very low36.2Very low176 Ų176128.7 Ų128.782%0.82275%0.748SS**  trans63.9156.4137.2-68.3-179.6-176.500120
628M44Very low35.8Very low158 Ų158125.3 Ų125.378%0.77874%0.736SS**  cis-161135-24.8168.5159.166.100111.8
629D36Very low35.4Very low130 Ų130129.4 Ų129.470%0.69574%0.742SS**  trans78.4-168.6156.3-139.160.2000122.2
630Q34.8Very low35.1Very low144 Ų144126.8 Ų126.867%0.67373%0.734SS**  trans-120.1-179.4-134.4-71.3167.666.400116.4
631T34.3Very low34.9Very low132 Ų132129.4 Ų129.481%0.8174%0.744SS**  trans84153.9160.376.90000117.4
632S33.2Very low34.7Very low88 Ų88122.5 Ų122.562%0.61573%0.731SS**  cis-175.7174.9-34.158.90000109.1
633I34.6Very low34.6Very low143 Ų143124 Ų12473%0.73373%0.73SS**  trans72.4111.8163.4-62.8163.4000113.2
634D30Very low34.6Very low158 Ų158129.5 Ų129.585%0.84574%0.737SS**  91.9147.856.9-73.4-49.3000113.4
635G33.5Very low35.1Very low73 Ų73136.1 Ų136.175%0.75374%0.74SS**  trans107.889.2179.500000112.8
636D31.6Very low35.1Very low151 Ų151135.3 Ų135.381%0.80773%0.734SS**  90.2144.554.6-172.452.5000114.4
637S32.7Very low35.1Very low90 Ų90139.6 Ų139.663%0.62974%0.739SS**  trans69.2147.7162.8-79.80000119.7
638S32.1Very low34.9Very low74 Ų74136.2 Ų136.252%0.51774%0.735SS.*  cis-169166.7-2664.20000111.6
639R33.7Very low34.3Very low224 Ų224136.8 Ų136.885%0.84574%0.74SS**  trans72.4162.9153.5-64.6157.3-154.9-172.56.2118.8
640S33.9Very low34Very low86 Ų86133.6 Ų133.660%0.60174%0.738SS**  cis-173.3162.3-45.259.40000110.5
641L40.7Very low33.9Very low155 Ų155131.1 Ų131.181%0.81274%0.742SS**  trans64.4146.4-179.9-69.969.8000114.1
642G31.7Very low33.8Very low60 Ų60132.7 Ų132.762%0.61975%0.745SS**  cis145.1129.3-4.300000110.2
643K37.7Very low34Very low169 Ų169133.7 Ų133.774%0.73575%0.749SS**  -172.6139.682.7-85.9139.5-169.8160.20113.6
644R38.7Very low33.9Very low225 Ų225135.7 Ų135.785%0.84975%0.752SS**  trans81.5107147.8-63.5158.9-174.9-174.80.4120.5
645R40.3Very low33.8Very low241 Ų241135.2 Ų135.291%0.90975%0.745SS**  trans64.8102152.5-61.4177.8178.8157.9-0.4116.2
646A32.7Very low33.9Very low80 Ų80138.9 Ų138.966%0.66175%0.747SS**  cis65.2141.818.600000115
647H35.3Very low33.9Very low174 Ų174137 Ų13781%0.80675%0.745SS**  cis-131.3146.315.3-102.2-83.8000115
648S30.9Very low34.4Very low105 Ų105140.1 Ų140.173%0.73476%0.755SS**  trans-118.4153153.4-62.60000108.4
649L32.5Very low34.7Very low171 Ų171144.7 Ų144.790%0.89577%0.772SS**  trans64.4159.5173.2-42178.4000114.7
650G29.8Very low34.7Very low62 Ų62143.5 Ų143.564%0.63977%0.773SS**  cis-145.7166.1-5.300000110.4
651A32.3Very low34.6Very low93 Ų93144 Ų14477%0.76978%0.776SS**  58.8114.688.900000113
652L32.7Very low34.1Very low165 Ų165141.8 Ų141.886%0.86477%0.771SS**  173.4-178.983-82.4169.5000108.3
653P36.8Very low34.2Very low109 Ų109149 Ų14971%0.70879%0.785SS**  -136.3-167.4-6139.4-20.6000113.8
654K31.4Very low34.4Very low184 Ų184150.7 Ų150.780%0.879%0.793SS**  trans101.2108.9140.8-151166.9-173.4174.10120.9
655E28.2Very low34.3Very low149 Ų149143.1 Ų143.170%0.69679%0.785SS**  trans67.5145146.5-64.3-43.710000125.2
656L35.3Very low33.9Very low150 Ų150137.7 Ų137.779%0.78578%0.778SS**  trans41.593.2162.5-89.969.9000119.4
657S32Very low33.9Very low111 Ų111145 Ų14578%0.77679%0.789SS**  trans-155.2134.3134.9-29.60000112.1
658D43.3Very low34Very low155 Ų155142.3 Ų142.383%0.82979%0.789SS**  trans51.990.7144.4-53.9-41.5000120.9
659I38.2Very low35Very low171 Ų171147.1 Ų147.188%0.87780%0.797SS**  trans-35.2149.3144.5-61.1162000112.2
660K34.6Very low36.6Very low199 Ų199147.4 Ų147.487%0.86579%0.794SS**  trans102.2119.2167.2-156.1173.8-173175.70112.4
661S31.3Very low38.9Very low96 Ų96150.4 Ų150.467%0.67179%0.791SS**  cis-141.6141.428.5530000114.2
662P30.2Very low41.4Very low108 Ų108147.8 Ų147.870%0.70176%0.764SS**  trans-79.8133.317132.1-32.6000111.1
663K34.2Very low44.1Very low212 Ų212150.2 Ų150.292%0.92276%0.761SS**  trans-108.637.3159.9-74.5-174.2176.51760112.4
664K41.6Very low46.7Very low204 Ų204152.4 Ų152.489%0.88776%0.756SS**  trans-96.4106.8158.3-175.7-178.1-176.2-178.10107.3
665G35.9Very low49.7Very low67 Ų67145.5 Ų145.569%0.69173%0.729SS**  trans-172.4149.1-179.600000113.7
666V32.5Very low52.8Low126 Ų126142 Ų14276%0.76471%0.714SS**SBendtrans63.391.7165-167.70000116.8
667R32.5Very low55.7Low234 Ų234139.6 Ų139.688%0.88370%0.702SS**  trans72.576.7148.4-55.7-175-57.9-171.61.3119.5
668S37.2Very low58.7Low117 Ų117134.3 Ų134.382%0.81867%0.665SS**  -141.3136.4113.962.50000109.6E670S668-E670 PolarHBondContact O-N 3.22Å
669K53Low61.3Low206 Ų206130 Ų13090%0.89664%0.639SS**  trans-66.2133.7175-70.9-174.4177.8-176.90108.1H671K669-H671 PolarHBondContact O-N 3.12Å
670E66.8Low64Low178 Ų178126.5 Ų126.583%0.83262%0.62SS**  trans-56.8113.9-170.1-174.9153.6-169.800111.4S668 I672S668-E670 PolarHBondContact O-N 3.22Å; E670-I672 VanDerWaalsContact C-N 3.27Å; E670-I672 PolarHBondContact O-N 2.99Å
671H77.8Confident67Low125 Ų125118.3 Ų118.358%0.57959%0.585SS**  trans-83.376.3-172.6-175.152000110.8K669 R673K669-H671 PolarHBondContact O-N 3.12Å; H671-R673 PolarHBondContact O-N 3.34Å; H671-R673 VanDerWaalsContact O-N 3.15Å
672I84.8Confident70.1Confident38 Ų38113.8 Ų113.820%0.19555%0.553CS.*PPolyproline II helixtrans-48.1117.2171.4-63.5159.4000109.2E670 H732 H736 W739E670-I672 VanDerWaalsContact C-N 3.27Å; E670-I672 PolarHBondContact O-N 2.99Å; I672-H732 VanDerWaalsContact CG2-NE2 3.26Å; I672-H732 WeakPolarHBondContact CG2-NE2 3.43Å; I672-H736 HydrophobicContact CD1-CB 4.1Å; I672-H736 HydrophobicContact CG2-CB 4.38Å; I672-H736 WeakPolarHBondContact CG2-CD2 3.44Å; I672-W739 VanDerWaalsContact CB-CD1 3.5Å; I672-W739 HydrophobicContact CG2-CG 4.03Å; I672-W739 PolarHBondContact O-NE1 3.22Å
673R88.1Confident73.2Confident216 Ų216109.3 Ų109.382%0.81553%0.525SS*.PPolyproline II helixtrans-78.3143.5-178.1-63.2175.2179.4159.5-0.8109.6H671 H732H671-R673 PolarHBondContact O-N 3.34Å; H671-R673 VanDerWaalsContact O-N 3.15Å; R673-H732 PolarHBondContact O-CD2 3.43Å; R673-H732 PolarHBondContact O-NE2 3.26Å
674R91.8Very high76.1Confident155 Ų155106.7 Ų106.759%0.58551%0.513SS*.PPolyproline II helixtrans-55.1146.1177.9-49.6-175.1-163.6-135.59111.3W739 W741R674-W739 HydrophobicContact CB-CH2 4.2Å; R674-W739 HydrophobicContact CB-CZ2 4.27Å; R674-W739 HydrophobicContact CG-CH2 4.09Å; R674-W739 HydrophobicContact CG-CZ2 3.97Å; R674-W741 VanDerWaalsContact CZ-NE1 3.31Å; R674-W741 VanDerWaalsContact NH1-CE2 3.28Å; R674-W741 VanDerWaalsContact NH2-NE1 3.11Å
675P94Very high78.7Confident38 Ų38104 Ų10425%0.24750%0.498CS..PPolyproline II helixtrans-61.5157.7171.425.1-32.4000112.2V728 K729 H732P675-V728 HydrophobicContact CB-CG1 4.28Å; P675-K729 HydrophobicContact CB-CB 4.36Å; P675-K729 HydrophobicContact CG-CB 4.46Å; P675-K729 HydrophobicContact CG-CG 4.47Å; P675-H732 HydrophobicContact CB-CB 3.87Å; P675-H732 HydrophobicContact CG-CB 4.34Å
676M93.1Very high81.5Confident76 Ų76102.3 Ų102.337%0.37447%0.472SS..PPolyproline II helixtrans-85.2125.3-171.5-158.4171.7-66.300111.6M680 I681 K684 V728M676-M680 HydrophobicContact CG-CB 3.38Å; M676-M680 HydrophobicContact SD-CB 4.25Å; M676-I681 HydrophobicContact CB-CD1 4.49Å; M676-I681 HydrophobicContact CB-CG1 3.91Å; M676-I681 HydrophobicContact CG-CG1 3.67Å; M676-I681 HydrophobicContact SD-CB 4.41Å; M676-I681 HydrophobicContact SD-CG1 3.79Å; M676-K684 HydrophobicContact CE-CD 4.42Å; M676-K684 HydrophobicContact SD-CB 4.5Å; M676-K684 HydrophobicContact SD-CD 4.34Å; M676-V728 HydrophobicContact CB-CG1 3.98Å
677N96.5Very high84.4Confident100 Ų100100.3 Ų100.354%0.53545%0.451SS..PPolyproline II helixtrans-73.3160174.2-171.622.2000111.5F679 M680 I681N677-F679 PolarHBondContact O-N 2.93Å; N677-M680 HydrophobicContact CB-CG 4.37Å; N677-M680 CarbonylContact O-C 3.57Å; N677-M680 WeakPolarHBondContact O-CA 3.16Å; N677-M680 WeakPolarHBondContact O-CB 3.44Å; N677-M680 PolarHBondContact O-N 2.89Å; N677-I681 PolarHBondContact O-N 3.39Å
678A96.6Very high87.4Confident0 Ų093 Ų930%043%0.433CS..Hα-helixtrans-49.5-54.2-178.300000113M680 I681 F682 W710 Y721 A725A678-M680 PolarHBondContact O-N 2.95Å; A678-I681 PolarHBondContact O-N 3.46Å; A678-I681 VanDerWaalsContact O-N 3.11Å; A678-F682 PolarHBondContact O-N 3.32Å; A678-W710 HydrophobicContact CB-CH2 3.75Å; A678-W710 HydrophobicContact CB-CZ2 4.34Å; A678-Y721 WeakPolarHBondContact CA-O 3.48Å; A678-Y721 VanDerWaalsContact CB-O 3.26Å; A678-Y721 WeakPolarHBondContact CB-O 3.39Å; A678-A725 HydrophobicContact CB-CB 4.06Å
679F96.7Very high90.1Very high65 Ų6590.9 Ų90.929%0.28541%0.413SS..Hα-helixtrans-57.3-34.3174.2175.4-106.2000113.4N677 F682 S683 W710N677-F679 PolarHBondContact O-N 2.93Å; F679-F682 HydrophobicContact CD2-CD1 4.21Å; F679-F682 HydrophobicContact CE2-CD1 4.32Å; F679-S683 VanDerWaalsContact O-CB 3.22Å; F679-S683 WeakPolarHBondContact O-CB 3.41Å; F679-S683 PolarHBondContact O-N 2.83Å; F679-S683 PolarHBondContact O-OG 2.77Å; F679-W710 HydrophobicContact CB-CD2 4.3Å; F679-W710 HydrophobicContact CD2-CB 3.71Å; F679-W710 AromaticContact CD2-CD1 3.94Å; F679-W710 AromaticContact CD2-CD2 3.8Å; F679-W710 HydrophobicContact CD2-CD2 3.8Å; F679-W710 HydrophobicContact CD2-CE3 4.31Å; F679-W710 AromaticContact CD2-CG 3.5Å; F679-W710 HydrophobicContact CD2-CG 3.5Å; F679-W710 HydrophobicContact CE2-CB 3.81Å; F679-W710 HydrophobicContact CE2-CG 4.1Å
680M96.2Very high92.1Very high97 Ų9781.1 Ų81.148%0.47837%0.37SS..Hα-helixtrans-72.2-38178.2-66.2-62.2-55.100111.4M676 N677 A678 S683 K684M676-M680 HydrophobicContact CG-CB 3.38Å; M676-M680 HydrophobicContact SD-CB 4.25Å; N677-M680 HydrophobicContact CB-CG 4.37Å; N677-M680 CarbonylContact O-C 3.57Å; N677-M680 WeakPolarHBondContact O-CA 3.16Å; N677-M680 WeakPolarHBondContact O-CB 3.44Å; N677-M680 PolarHBondContact O-N 2.89Å; A678-M680 PolarHBondContact O-N 2.95Å; M680-S683 WeakPolarHBondContact CA-OG 3.15Å; M680-S683 PolarHBondContact O-N 2.79Å; M680-S683 PolarHBondContact O-OG 2.74Å; M680-K684 PolarHBondContact O-N 2.97Å
681I95.8Very high93.3Very high26 Ų2675.6 Ų75.613%0.13334%0.344CS..Hα-helixtrans-63.5-50.3172.8-60.6175.7000109.7M676 N677 A678 S683 K684 R685 Y721 L724 A725 V728M676-I681 HydrophobicContact CB-CD1 4.49Å; M676-I681 HydrophobicContact CB-CG1 3.91Å; M676-I681 HydrophobicContact CG-CG1 3.67Å; M676-I681 HydrophobicContact SD-CB 4.41Å; M676-I681 HydrophobicContact SD-CG1 3.79Å; N677-I681 PolarHBondContact O-N 3.39Å; A678-I681 PolarHBondContact O-N 3.46Å; A678-I681 VanDerWaalsContact O-N 3.11Å; I681-S683 VanDerWaalsContact C-N 3.33Å; I681-S683 PolarHBondContact O-N 2.77Å; I681-K684 WeakPolarHBondContact O-CB 3.23Å; I681-K684 PolarHBondContact O-N 2.86Å; I681-K684 VanDerWaalsContact O-N 3.11Å; I681-R685 PolarHBondContact O-N 2.71Å; I681-R685 VanDerWaalsContact O-N 3.12Å; I681-Y721 HydrophobicContact CB-CD1 4.38Å; I681-Y721 HydrophobicContact CG2-CD1 4.01Å; I681-Y721 HydrophobicContact CG2-CE1 4.43Å; I681-L724 HydrophobicContact CD1-CB 3.99Å; I681-L724 HydrophobicContact CG2-CD1 4.46Å; I681-A725 HydrophobicContact CD1-CB 4.03Å; I681-V728 HydrophobicContact CD1-CB 4.46Å; I681-V728 HydrophobicContact CD1-CG2 4.08Å
682F97.2Very high93.9Very high1 Ų177.3 Ų77.30%0.00435%0.353CS..Hα-helixtrans-52.7-49.3173168.7-91.9000111.7A678 F679 K684 R685 H686 L706 W709 W710 L713 Y721A678-F682 PolarHBondContact O-N 3.32Å; F679-F682 HydrophobicContact CD2-CD1 4.21Å; F679-F682 HydrophobicContact CE2-CD1 4.32Å; F682-K684 VanDerWaalsContact C-N 3.28Å; F682-K684 PolarHBondContact O-N 2.92Å; F682-R685 PolarHBondContact O-N 3.28Å; F682-R685 VanDerWaalsContact O-N 3.15Å; F682-H686 AromaticContact CD2-CE1 3.39Å; F682-H686 WeakPolarHBondContact CD2-CE1 3.47Å; F682-H686 AromaticContact CD2-ND1 3.22Å; F682-H686 WeakPolarHBondContact CD2-ND1 3.39Å; F682-H686 HydrophobicContact CE1-CB 4.34Å; F682-H686 HydrophobicContact CE2-CB 4.46Å; F682-H686 AromaticContact CE2-CD2 4Å; F682-H686 AromaticContact CE2-CE1 3.25Å; F682-H686 WeakPolarHBondContact CE2-CE1 3.5Å; F682-H686 AromaticContact CE2-CG 3.64Å; F682-H686 AromaticContact CE2-ND1 3.16Å; F682-H686 WeakPolarHBondContact CE2-ND1 3.41Å; F682-H686 AromaticContact CE2-NE2 3.78Å; F682-H686 AromaticContact CG-ND1 3.81Å; F682-H686 HydrophobicContact CZ-CB 4.13Å; F682-H686 AromaticContact CZ-CG 3.75Å; F682-H686 AromaticContact CZ-ND1 3.69Å; F682-H686 PolarHBondContact O-N 2.98Å; F682-H686 PolarHBondContact O-ND1 2.77Å; F682-L706 HydrophobicContact CE1-CD2 4.17Å; F682-L706 WeakPolarHBondContact CE1-O 3.35Å; F682-W709 HydrophobicContact CE1-CB 4.39Å; F682-W709 HydrophobicContact CZ-CB 3.77Å; F682-W710 HydrophobicContact CB-CE3 3.68Å; F682-W710 HydrophobicContact CB-CZ3 3.77Å; F682-W710 HydrophobicContact CD1-CB 4.12Å; F682-W710 AromaticContact CD1-CE3 3.88Å; F682-W710 HydrophobicContact CD1-CE3 3.88Å; F682-W710 AromaticContact CD2-CE3 3.97Å; F682-W710 HydrophobicContact CD2-CE3 3.97Å; F682-W710 HydrophobicContact CD2-CZ3 4.43Å; F682-W710 HydrophobicContact CE1-CB 3.93Å; F682-W710 AromaticContact CG-CE3 3.55Å; F682-W710 HydrophobicContact CG-CE3 3.55Å; F682-W710 HydrophobicContact CG-CZ3 4.09Å; F682-W710 HydrophobicContact CZ-CB 4.46Å; F682-L713 HydrophobicContact CD2-CD1 3.73Å; F682-L713 HydrophobicContact CE2-CD1 3.7Å; F682-L713 HydrophobicContact CE2-CD2 4.36Å; F682-L713 HydrophobicContact CE2-CG 4.22Å; F682-Y721 HydrophobicContact CB-CD1 3.91Å; F682-Y721 HydrophobicContact CB-CD2 4.41Å; F682-Y721 HydrophobicContact CB-CE1 4.12Å; F682-Y721 HydrophobicContact CB-CG 4.1Å; F682-Y721 HydrophobicContact CD2-CD2 4.34Å; F682-Y721 HydrophobicContact CD2-CE1 4.49Å; F682-Y721 AromaticContact CD2-CE2 3.99Å; F682-Y721 HydrophobicContact CD2-CE2 3.99Å
683S95.7Very high94.3Very high15 Ų1583.8 Ų83.811%0.10537%0.374CS..Hα-helixtrans-64-32-179.979.40000112.5F679 M680 I681 R687F679-S683 VanDerWaalsContact O-CB 3.22Å; F679-S683 WeakPolarHBondContact O-CB 3.41Å; F679-S683 PolarHBondContact O-N 2.83Å; F679-S683 PolarHBondContact O-OG 2.77Å; M680-S683 WeakPolarHBondContact CA-OG 3.15Å; M680-S683 PolarHBondContact O-N 2.79Å; M680-S683 PolarHBondContact O-OG 2.74Å; I681-S683 VanDerWaalsContact C-N 3.33Å; I681-S683 PolarHBondContact O-N 2.77Å; S683-R687 WeakPolarHBondContact O-CB 3.27Å; S683-R687 PolarHBondContact O-N 2.89Å
684K95.3Very high94.4Very high156 Ų15677 Ų7768%0.67835%0.352SS*.Hα-helixtrans-66.9-41.1174.8-172.8-168173-162.40111.2M676 M680 I681 F682M676-K684 HydrophobicContact CE-CD 4.42Å; M676-K684 HydrophobicContact SD-CB 4.5Å; M676-K684 HydrophobicContact SD-CD 4.34Å; M680-K684 PolarHBondContact O-N 2.97Å; I681-K684 WeakPolarHBondContact O-CB 3.23Å; I681-K684 PolarHBondContact O-N 2.86Å; I681-K684 VanDerWaalsContact O-N 3.11Å; F682-K684 VanDerWaalsContact C-N 3.28Å; F682-K684 PolarHBondContact O-N 2.92Å
685R94.8Very high94.2Very high147 Ų14773.9 Ų73.956%0.55535%0.352SS*.Hα-helixtrans-69-43.4176.9-169.5179.7-173.3168.93.4111.8I681 F682 L689 E720 Y721I681-R685 PolarHBondContact O-N 2.71Å; I681-R685 VanDerWaalsContact O-N 3.12Å; F682-R685 PolarHBondContact O-N 3.28Å; F682-R685 VanDerWaalsContact O-N 3.15Å; R685-L689 WeakPolarHBondContact O-CD1 3.27Å; R685-E720 IonicContact NH1-OE1 3.69Å; R685-E720 PolarHBondContact NH1-OE1 2.91Å; R685-Y721 WeakPolarHBondContact CD-OH 3.18Å; R685-Y721 PolarHBondContact NH1-OH 2.8Å
686H94.3Very high93.9Very high33 Ų3379.1 Ų79.115%0.15338%0.378CS..Hα-helixtrans-94.8-21.6-169.6-65.285.3000115.4F682 P688 L689 V690 L706 W709F682-H686 AromaticContact CD2-CE1 3.39Å; F682-H686 WeakPolarHBondContact CD2-CE1 3.47Å; F682-H686 AromaticContact CD2-ND1 3.22Å; F682-H686 WeakPolarHBondContact CD2-ND1 3.39Å; F682-H686 HydrophobicContact CE1-CB 4.34Å; F682-H686 HydrophobicContact CE2-CB 4.46Å; F682-H686 AromaticContact CE2-CD2 4Å; F682-H686 AromaticContact CE2-CE1 3.25Å; F682-H686 WeakPolarHBondContact CE2-CE1 3.5Å; F682-H686 AromaticContact CE2-CG 3.64Å; F682-H686 AromaticContact CE2-ND1 3.16Å; F682-H686 WeakPolarHBondContact CE2-ND1 3.41Å; F682-H686 AromaticContact CE2-NE2 3.78Å; F682-H686 AromaticContact CG-ND1 3.81Å; F682-H686 HydrophobicContact CZ-CB 4.13Å; F682-H686 AromaticContact CZ-CG 3.75Å; F682-H686 AromaticContact CZ-ND1 3.69Å; F682-H686 PolarHBondContact O-N 2.98Å; F682-H686 PolarHBondContact O-ND1 2.77Å; H686-P688 VanDerWaalsContact C-CD 3.48Å; H686-P688 VanDerWaalsContact C-N 3.33Å; H686-L689 PolarHBondContact O-N 3.02Å; H686-V690 PolarHBondContact O-N 2.71Å; H686-L706 HydrophobicContact CB-CD2 3.51Å; H686-W709 HydrophobicContact CB-CE3 4.13Å; H686-W709 HydrophobicContact CB-CZ3 4.17Å
687R95Very high93.6Very high84 Ų8480 Ų8032%0.31738%0.381SS..Hα-helixtrans-54.8-39.3179174174.2-81-135.6-10.9113.7S683 V690 H691 N699 V702 S703 L706S683-R687 WeakPolarHBondContact O-CB 3.27Å; S683-R687 PolarHBondContact O-N 2.89Å; R687-V690 PolarHBondContact O-N 2.74Å; R687-H691 VanDerWaalsContact CG-CE1 3.48Å; R687-H691 WeakPolarHBondContact CG-CE1 3.38Å; R687-H691 PolarHBondContact O-N 2.78Å; R687-H691 PolarHBondContact O-ND1 3.01Å; R687-N699 PolarHBondContact NH1-OD1 3.06Å; R687-N699 PolarHBondContact NH2-OD1 2.88Å; R687-V702 HydrophobicContact CG-CG1 4.27Å; R687-S703 PolarHBondContact NH2-OG 2.8Å; R687-L706 HydrophobicContact CB-CD1 3.93Å; R687-L706 HydrophobicContact CG-CD1 4.49Å
688P94.1Very high93.3Very high80 Ų8079 Ų7952%0.51938%0.376SS..Hα-helixtrans-61-44.8173.1-24.936000112.9H686 V690 H691 Q692H686-P688 VanDerWaalsContact C-CD 3.48Å; H686-P688 VanDerWaalsContact C-N 3.33Å; P688-V690 VanDerWaalsContact C-N 3.34Å; P688-V690 PolarHBondContact O-N 3.1Å; P688-H691 CarbonylContact O-C 3.59Å; P688-H691 PolarHBondContact O-N 3.43Å; P688-H691 VanDerWaalsContact O-N 3.17Å; P688-Q692 PolarHBondContact O-N 3.31Å
689L94.6Very high93.1Very high73 Ų7383.1 Ų83.138%0.38240%0.398SS..Hα-helixtrans-63.5-38.5178.1-68.990.7000112R685 H686 Q692 R693 W709R685-L689 WeakPolarHBondContact O-CD1 3.27Å; H686-L689 PolarHBondContact O-N 3.02Å; L689-Q692 PolarHBondContact O-N 2.82Å; L689-R693 WeakPolarHBondContact O-CG 3.33Å; L689-R693 PolarHBondContact O-N 3.4Å; L689-W709 HydrophobicContact CB-CH2 4.44Å; L689-W709 HydrophobicContact CB-CZ3 4.38Å
690V94.3Very high92.8Very high0 Ų089.4 Ų89.40%042%0.419CS..Hα-helixtrans-66.9-37.5174.9179.90000111.4H686 R687 P688 H694 V702 I705 L706 W709H686-V690 PolarHBondContact O-N 2.71Å; R687-V690 PolarHBondContact O-N 2.74Å; P688-V690 VanDerWaalsContact C-N 3.34Å; P688-V690 PolarHBondContact O-N 3.1Å; V690-H694 WeakPolarHBondContact O-CB 3.39Å; V690-H694 PolarHBondContact O-N 2.87Å; V690-V702 HydrophobicContact CB-CG1 4.27Å; V690-V702 HydrophobicContact CG1-CB 4.21Å; V690-V702 HydrophobicContact CG1-CG1 3.84Å; V690-V702 HydrophobicContact CG1-CG2 4.15Å; V690-I705 HydrophobicContact CG1-CB 4.03Å; V690-I705 HydrophobicContact CG1-CD1 4.07Å; V690-I705 HydrophobicContact CG1-CG2 3.88Å; V690-I705 HydrophobicContact CG2-CG2 4.02Å; V690-L706 HydrophobicContact CG2-CD2 3.66Å; V690-L706 HydrophobicContact CG2-CG 4.02Å; V690-W709 HydrophobicContact CG2-CD2 4.33Å; V690-W709 HydrophobicContact CG2-CE3 3.95Å; V690-W709 HydrophobicContact CG2-CH2 3.49Å; V690-W709 VanDerWaalsContact CG2-CH2 3.49Å; V690-W709 HydrophobicContact CG2-CZ2 3.89Å; V690-W709 HydrophobicContact CG2-CZ3 3.53Å
691H91.7Very high92.7Very high63 Ų6386.6 Ų86.629%0.29241%0.408SS..Hα-helixtrans-69.4-33.5171.8-74.477.3000112.2R687 P688 H694 P695R687-H691 VanDerWaalsContact CG-CE1 3.48Å; R687-H691 WeakPolarHBondContact CG-CE1 3.38Å; R687-H691 PolarHBondContact O-N 2.78Å; R687-H691 PolarHBondContact O-ND1 3.01Å; P688-H691 CarbonylContact O-C 3.59Å; P688-H691 PolarHBondContact O-N 3.43Å; P688-H691 VanDerWaalsContact O-N 3.17Å; H691-H694 CarbonylContact O-C 3.27Å; H691-H694 VanDerWaalsContact O-C 3.27Å; H691-H694 PolarHBondContact O-N 3.03Å; H691-P695 WeakPolarHBondContact O-CA 3.27Å; H691-P695 WeakPolarHBondContact O-CD 3.29Å
692Q92.2Very high92.6Very high161 Ų16185.4 Ų85.475%0.75240%0.402SS*.Hα-helixtrans-67.3-41.7176.5-170.5-178.99.800111.7P688 L689P688-Q692 PolarHBondContact O-N 3.31Å; L689-Q692 PolarHBondContact O-N 2.82Å
693R92.1Very high92.5Very high173 Ų17387.9 Ų87.965%0.65342%0.419SS*.Hα-helixtrans-74.2-26.6174.9-68.2-177.6179.6-171.2-1.3113.2L689L689-R693 WeakPolarHBondContact O-CG 3.33Å; L689-R693 PolarHBondContact O-N 3.4Å
694H89.6Confident92.5Very high73 Ų7393.1 Ų93.134%0.33844%0.44SS..  trans-13864.5-175-51.8-67.8000112.4V690 H691 N696 Q697V690-H694 WeakPolarHBondContact O-CB 3.39Å; V690-H694 PolarHBondContact O-N 2.87Å; H691-H694 CarbonylContact O-C 3.27Å; H691-H694 VanDerWaalsContact O-C 3.27Å; H691-H694 PolarHBondContact O-N 3.03Å; H694-N696 PolarHBondContact O-N 3.42Å; H694-N696 VanDerWaalsContact O-N 3.12Å; H694-Q697 HydrophobicContact CB-CB 3.98Å; H694-Q697 HydrophobicContact CB-CG 3.68Å; H694-Q697 PolarHBondContact O-N 3.04Å; H694-Q697 VanDerWaalsContact O-N 3.08Å
695P87.9Confident92.5Very high91 Ų9186.7 Ų86.759%0.59141%0.413SS*.THydrogen-bonded Turntrans-64.3-23.3-16823.6-34.9000114.9H691H691-P695 WeakPolarHBondContact O-CA 3.27Å; H691-P695 WeakPolarHBondContact O-CD 3.29Å
696N87.9Confident92.6Very high148 Ų14879.8 Ų79.879%0.79139%0.387SS*.THydrogen-bonded Turntrans-98.94.6-179.6-61.7-37.5000113.6H694H694-N696 PolarHBondContact O-N 3.42Å; H694-N696 VanDerWaalsContact O-N 3.12Å
697Q87.6Confident92.7Very high93 Ų9378.9 Ų78.944%0.43539%0.386SS..  trans-84.9144.5-177-74.3-63.1-13.800113.3H694 T701 V702H694-Q697 HydrophobicContact CB-CB 3.98Å; H694-Q697 HydrophobicContact CB-CG 3.68Å; H694-Q697 PolarHBondContact O-N 3.04Å; H694-Q697 VanDerWaalsContact O-N 3.08Å; Q697-T701 HydrophobicContact CB-CG2 4.42Å; Q697-T701 HydrophobicContact CG-CG2 4.33Å; Q697-V702 HydrophobicContact CB-CG2 4.29Å
698D90.7Very high92.8Very high81 Ų8180.2 Ų80.243%0.43340%0.396SS..  trans-72.9159.4-177.5103.6-71.2000112.3R700 T701 V702D698-R700 VanDerWaalsContact CG-N 3.34Å; D698-R700 PolarHBondContact O-N 3.04Å; D698-R700 VanDerWaalsContact O-N 3.13Å; D698-R700 WeakPolarHBondContact OD1-CB 3.47Å; D698-R700 WeakPolarHBondContact OD2-CA 3.27Å; D698-R700 WeakPolarHBondContact OD2-CB 3.49Å; D698-R700 PolarHBondContact OD2-N 3.3Å; D698-T701 PolarHBondContact O-N 3.41Å; D698-T701 VanDerWaalsContact OD1-CB 3.26Å; D698-T701 WeakPolarHBondContact OD1-CB 3.17Å; D698-T701 PolarHBondContact OD1-N 3.23Å; D698-T701 PolarHBondContact OD1-OG1 3.33Å; D698-V702 WeakPolarHBondContact O-CG2 3.34Å; D698-V702 PolarHBondContact O-N 3.11Å
699N90.6Very high92.9Very high86 Ų8679.5 Ų79.546%0.4638%0.383SS..Hα-helixtrans-61.5-24.1-178.7-99.6-103.2000113.7R687 S703R687-N699 PolarHBondContact NH1-OD1 3.06Å; R687-N699 PolarHBondContact NH2-OD1 2.88Å; N699-S703 VanDerWaalsContact O-CB 3.31Å; N699-S703 WeakPolarHBondContact O-CB 3.16Å; N699-S703 PolarHBondContact O-N 2.89Å; N699-S703 VanDerWaalsContact O-N 3.17Å; N699-S703 PolarHBondContact O-OG 3.23Å
700R92.1Very high93Very high196 Ų19677.6 Ų77.674%0.7437%0.371SS*.Hα-helixtrans-71.3-45.7173.3-167.6-175.9-175.7-167.51110.9D698 S703 K704D698-R700 VanDerWaalsContact CG-N 3.34Å; D698-R700 PolarHBondContact O-N 3.04Å; D698-R700 VanDerWaalsContact O-N 3.13Å; D698-R700 WeakPolarHBondContact OD1-CB 3.47Å; D698-R700 WeakPolarHBondContact OD2-CA 3.27Å; D698-R700 WeakPolarHBondContact OD2-CB 3.49Å; D698-R700 PolarHBondContact OD2-N 3.3Å; R700-S703 CarbonylContact O-C 3.46Å; R700-S703 PolarHBondContact O-N 2.97Å; R700-K704 PolarHBondContact O-N 3.27Å
701T93.2Very high93.1Very high39 Ų3986.2 Ų86.224%0.23941%0.405CS..Hα-helixtrans-69.4-43.6178.9-56.50000111.6Q697 D698 S703 K704 I705Q697-T701 HydrophobicContact CB-CG2 4.42Å; Q697-T701 HydrophobicContact CG-CG2 4.33Å; D698-T701 PolarHBondContact O-N 3.41Å; D698-T701 VanDerWaalsContact OD1-CB 3.26Å; D698-T701 WeakPolarHBondContact OD1-CB 3.17Å; D698-T701 PolarHBondContact OD1-N 3.23Å; D698-T701 PolarHBondContact OD1-OG1 3.33Å; T701-S703 PolarHBondContact O-N 3.41Å; T701-K704 WeakPolarHBondContact O-CB 3.5Å; T701-K704 PolarHBondContact O-N 2.83Å; T701-I705 HydrophobicContact CG2-CD1 4.25Å; T701-I705 WeakPolarHBondContact O-CG1 3.45Å; T701-I705 PolarHBondContact O-N 2.83Å
702V94.2Very high93.3Very high0 Ų087.4 Ų87.40%043%0.425CS..Hα-helixtrans-54.3-38.6168.9170.90000111.5R687 V690 Q697 D698 L706R687-V702 HydrophobicContact CG-CG1 4.27Å; V690-V702 HydrophobicContact CB-CG1 4.27Å; V690-V702 HydrophobicContact CG1-CB 4.21Å; V690-V702 HydrophobicContact CG1-CG1 3.84Å; V690-V702 HydrophobicContact CG1-CG2 4.15Å; Q697-V702 HydrophobicContact CB-CG2 4.29Å; D698-V702 WeakPolarHBondContact O-CG2 3.34Å; D698-V702 PolarHBondContact O-N 3.11Å; V702-L706 HydrophobicContact CG1-CD1 3.89Å; V702-L706 WeakPolarHBondContact O-CB 3.41Å; V702-L706 WeakPolarHBondContact O-CD1 3.16Å; V702-L706 VanDerWaalsContact O-CG 3.23Å; V702-L706 WeakPolarHBondContact O-CG 3.25Å; V702-L706 PolarHBondContact O-N 3.25Å
703S94.6Very high93.4Very high53 Ų5381.1 Ų81.137%0.37140%0.397SS..Hα-helixtrans-76.8-20.1178.7-55.70000114R687 N699 R700 T701 G707R687-S703 PolarHBondContact NH2-OG 2.8Å; N699-S703 VanDerWaalsContact O-CB 3.31Å; N699-S703 WeakPolarHBondContact O-CB 3.16Å; N699-S703 PolarHBondContact O-N 2.89Å; N699-S703 VanDerWaalsContact O-N 3.17Å; N699-S703 PolarHBondContact O-OG 3.23Å; R700-S703 CarbonylContact O-C 3.46Å; R700-S703 PolarHBondContact O-N 2.97Å; T701-S703 PolarHBondContact O-N 3.41Å; S703-G707 PolarHBondContact O-N 2.81Å
704K96.1Very high93.5Very high126 Ų12674.2 Ų74.255%0.54838%0.379SS..Hα-helixtrans-70.9-52.6167.3-70.7-178.2173.4-173.70110.8R700 T701 L706 G707 E708R700-K704 PolarHBondContact O-N 3.27Å; T701-K704 WeakPolarHBondContact O-CB 3.5Å; T701-K704 PolarHBondContact O-N 2.83Å; K704-L706 VanDerWaalsContact C-N 3.28Å; K704-L706 PolarHBondContact O-N 2.96Å; K704-G707 CarbonylContact O-C 3.47Å; K704-G707 VanDerWaalsContact O-CA 3.27Å; K704-G707 WeakPolarHBondContact O-CA 3.37Å; K704-G707 PolarHBondContact O-N 2.85Å; K704-E708 PolarHBondContact O-N 2.98Å
705I95Very high93.7Very high21 Ų2175.7 Ų75.711%0.10840%0.396CS..Hα-helixtrans-57.5-42.4-179.3-62165000110.5V690 T701 G707 E708 W709V690-I705 HydrophobicContact CG1-CB 4.03Å; V690-I705 HydrophobicContact CG1-CD1 4.07Å; V690-I705 HydrophobicContact CG1-CG2 3.88Å; V690-I705 HydrophobicContact CG2-CG2 4.02Å; T701-I705 HydrophobicContact CG2-CD1 4.25Å; T701-I705 WeakPolarHBondContact O-CG1 3.45Å; T701-I705 PolarHBondContact O-N 2.83Å; I705-G707 VanDerWaalsContact C-N 3.31Å; I705-G707 PolarHBondContact O-N 3.43Å; I705-E708 PolarHBondContact O-N 3.25Å; I705-W709 HydrophobicContact CG2-CD2 4.35Å; I705-W709 HydrophobicContact CG2-CG 4.49Å; I705-W709 HydrophobicContact CG2-CZ2 4.1Å; I705-W709 WeakPolarHBondContact O-CB 3.26Å; I705-W709 VanDerWaalsContact O-CD1 3.23Å; I705-W709 VanDerWaalsContact O-CG 3.32Å; I705-W709 PolarHBondContact O-N 3.41Å
706L96.2Very high93.9Very high2 Ų279.3 Ų79.31%0.0140%0.404CS..Hα-helixtrans-64.6-31.9173-70.3168.3000113.3F682 H686 R687 V690 V702 K704 W710F682-L706 HydrophobicContact CE1-CD2 4.17Å; F682-L706 WeakPolarHBondContact CE1-O 3.35Å; H686-L706 HydrophobicContact CB-CD2 3.51Å; R687-L706 HydrophobicContact CB-CD1 3.93Å; R687-L706 HydrophobicContact CG-CD1 4.49Å; V690-L706 HydrophobicContact CG2-CD2 3.66Å; V690-L706 HydrophobicContact CG2-CG 4.02Å; V702-L706 HydrophobicContact CG1-CD1 3.89Å; V702-L706 WeakPolarHBondContact O-CB 3.41Å; V702-L706 WeakPolarHBondContact O-CD1 3.16Å; V702-L706 VanDerWaalsContact O-CG 3.23Å; V702-L706 WeakPolarHBondContact O-CG 3.25Å; V702-L706 PolarHBondContact O-N 3.25Å; K704-L706 VanDerWaalsContact C-N 3.28Å; K704-L706 PolarHBondContact O-N 2.96Å; L706-W710 VanDerWaalsContact O-CB 3.27Å; L706-W710 WeakPolarHBondContact O-CB 3.22Å; L706-W710 PolarHBondContact O-N 2.92Å
707G96.7Very high94.2Very high13 Ų1377.2 Ų77.213%0.13439%0.39CS..Hα-helixtrans-68.1-46.8172.300000112S703 K704 I705 W710 Y711S703-G707 PolarHBondContact O-N 2.81Å; K704-G707 CarbonylContact O-C 3.47Å; K704-G707 VanDerWaalsContact O-CA 3.27Å; K704-G707 WeakPolarHBondContact O-CA 3.37Å; K704-G707 PolarHBondContact O-N 2.85Å; I705-G707 VanDerWaalsContact C-N 3.31Å; I705-G707 PolarHBondContact O-N 3.43Å; G707-W710 PolarHBondContact O-N 2.99Å; G707-Y711 WeakPolarHBondContact O-CD2 3.32Å; G707-Y711 PolarHBondContact O-N 2.94Å
708E96.8Very high94.6Very high112 Ų11275.2 Ų75.252%0.52338%0.38SS..Hα-helixtrans-59.1-49.1176.3-70.4148.3-155.300111.2K704 I705 W710 Y711 A712K704-E708 PolarHBondContact O-N 2.98Å; I705-E708 PolarHBondContact O-N 3.25Å; E708-W710 VanDerWaalsContact C-N 3.35Å; E708-W710 PolarHBondContact O-N 3.48Å; E708-Y711 PolarHBondContact O-N 3.43Å; E708-A712 WeakPolarHBondContact O-CB 3.46Å; E708-A712 PolarHBondContact O-N 2.97Å
709W96Very high94.8Very high65 Ų6576.6 Ų76.625%0.24638%0.384CS..Hα-helixtrans-60.4-42.1174.9-67.411.3000111.8F682 H686 L689 V690 I705 Y711 A712 L713F682-W709 HydrophobicContact CE1-CB 4.39Å; F682-W709 HydrophobicContact CZ-CB 3.77Å; H686-W709 HydrophobicContact CB-CE3 4.13Å; H686-W709 HydrophobicContact CB-CZ3 4.17Å; L689-W709 HydrophobicContact CB-CH2 4.44Å; L689-W709 HydrophobicContact CB-CZ3 4.38Å; V690-W709 HydrophobicContact CG2-CD2 4.33Å; V690-W709 HydrophobicContact CG2-CE3 3.95Å; V690-W709 HydrophobicContact CG2-CH2 3.49Å; V690-W709 VanDerWaalsContact CG2-CH2 3.49Å; V690-W709 HydrophobicContact CG2-CZ2 3.89Å; V690-W709 HydrophobicContact CG2-CZ3 3.53Å; I705-W709 HydrophobicContact CG2-CD2 4.35Å; I705-W709 HydrophobicContact CG2-CG 4.49Å; I705-W709 HydrophobicContact CG2-CZ2 4.1Å; I705-W709 WeakPolarHBondContact O-CB 3.26Å; I705-W709 VanDerWaalsContact O-CD1 3.23Å; I705-W709 VanDerWaalsContact O-CG 3.32Å; I705-W709 PolarHBondContact O-N 3.41Å; W709-Y711 VanDerWaalsContact C-N 3.32Å; W709-Y711 PolarHBondContact O-N 3.48Å; W709-A712 PolarHBondContact O-N 3.24Å; W709-L713 PolarHBondContact O-N 2.89Å; W709-L713 VanDerWaalsContact O-N 3.15Å
710W97Very high95Very high33 Ų3376.5 Ų76.513%0.12538%0.38CS..Hα-helixtrans-62.9-36.5176.1173.9-99.1000112.7A678 F679 F682 L706 G707 E708 L713 K718 Y721A678-W710 HydrophobicContact CB-CH2 3.75Å; A678-W710 HydrophobicContact CB-CZ2 4.34Å; F679-W710 HydrophobicContact CB-CD2 4.3Å; F679-W710 HydrophobicContact CD2-CB 3.71Å; F679-W710 AromaticContact CD2-CD1 3.94Å; F679-W710 AromaticContact CD2-CD2 3.8Å; F679-W710 HydrophobicContact CD2-CD2 3.8Å; F679-W710 HydrophobicContact CD2-CE3 4.31Å; F679-W710 AromaticContact CD2-CG 3.5Å; F679-W710 HydrophobicContact CD2-CG 3.5Å; F679-W710 HydrophobicContact CE2-CB 3.81Å; F679-W710 HydrophobicContact CE2-CG 4.1Å; F682-W710 HydrophobicContact CB-CE3 3.68Å; F682-W710 HydrophobicContact CB-CZ3 3.77Å; F682-W710 HydrophobicContact CD1-CB 4.12Å; F682-W710 AromaticContact CD1-CE3 3.88Å; F682-W710 HydrophobicContact CD1-CE3 3.88Å; F682-W710 AromaticContact CD2-CE3 3.97Å; F682-W710 HydrophobicContact CD2-CE3 3.97Å; F682-W710 HydrophobicContact CD2-CZ3 4.43Å; F682-W710 HydrophobicContact CE1-CB 3.93Å; F682-W710 AromaticContact CG-CE3 3.55Å; F682-W710 HydrophobicContact CG-CE3 3.55Å; F682-W710 HydrophobicContact CG-CZ3 4.09Å; F682-W710 HydrophobicContact CZ-CB 4.46Å; L706-W710 VanDerWaalsContact O-CB 3.27Å; L706-W710 WeakPolarHBondContact O-CB 3.22Å; L706-W710 PolarHBondContact O-N 2.92Å; G707-W710 PolarHBondContact O-N 2.99Å; E708-W710 VanDerWaalsContact C-N 3.35Å; E708-W710 PolarHBondContact O-N 3.48Å; W710-L713 HydrophobicContact CE3-CD1 3.84Å; W710-L713 HydrophobicContact CZ3-CD1 4.1Å; W710-K718 HydrophobicContact CH2-CB 4.4Å; W710-K718 HydrophobicContact CH2-CG 4.23Å; W710-K718 HydrophobicContact CZ2-CG 4.28Å; W710-K718 WeakPolarHBondContact O-CE 3.22Å; W710-Y721 AromaticContact CZ3-CD2 3.96Å; W710-Y721 HydrophobicContact CZ3-CD2 3.96Å; W710-Y721 HydrophobicContact CZ3-CG 4.01Å
711Y96.1Very high95.2Very high182 Ų18267.7 Ų67.771%0.71435%0.347SS*.Hα-helixtrans-70.8-36.2174.2-72.3-60.5000112.2G707 E708 W709 L713 K718G707-Y711 WeakPolarHBondContact O-CD2 3.32Å; G707-Y711 PolarHBondContact O-N 2.94Å; E708-Y711 PolarHBondContact O-N 3.43Å; W709-Y711 VanDerWaalsContact C-N 3.32Å; W709-Y711 PolarHBondContact O-N 3.48Å; Y711-L713 PolarHBondContact O-N 3.24Å; Y711-K718 PolarHBondContact O-NZ 3.33Å
712A96.3Very high95.4Very high87 Ų8770.1 Ų70.172%0.71936%0.356SS*.Hα-helixtrans-70.5-23.2179.600000115.2E708 W709E708-A712 WeakPolarHBondContact O-CB 3.46Å; E708-A712 PolarHBondContact O-N 2.97Å; W709-A712 PolarHBondContact O-N 3.24Å
713L94Very high95.5Very high29 Ų2973.4 Ų73.415%0.15237%0.373CS..SBendtrans-55.9143.7174.7-68.9179.9000112.3F682 W709 W710 Y711 Q717 K718 Y721F682-L713 HydrophobicContact CD2-CD1 3.73Å; F682-L713 HydrophobicContact CE2-CD1 3.7Å; F682-L713 HydrophobicContact CE2-CD2 4.36Å; F682-L713 HydrophobicContact CE2-CG 4.22Å; W709-L713 PolarHBondContact O-N 2.89Å; W709-L713 VanDerWaalsContact O-N 3.15Å; W710-L713 HydrophobicContact CE3-CD1 3.84Å; W710-L713 HydrophobicContact CZ3-CD1 4.1Å; Y711-L713 PolarHBondContact O-N 3.24Å; L713-Q717 HydrophobicContact CB-CB 4.22Å; L713-Q717 HydrophobicContact CD2-CB 4.21Å; L713-K718 HydrophobicContact CB-CD 4.41Å; L713-K718 HydrophobicContact CB-CG 3.92Å; L713-K718 HydrophobicContact CD1-CG 4.36Å; L713-K718 WeakPolarHBondContact O-CE 3.16Å; L713-K718 PolarHBondContact O-NZ 3.02Å; L713-Y721 HydrophobicContact CD1-CD2 4.16Å; L713-Y721 HydrophobicContact CD1-CE2 4.12Å
714G94.2Very high95.5Very high28 Ų2873.5 Ų73.529%0.28937%0.369SS..  trans-63.4162.3170.400000113E716 Q717 K718G714-E716 VanDerWaalsContact C-N 3.26Å; G714-E716 PolarHBondContact O-N 2.81Å; G714-Q717 PolarHBondContact O-N 3.39Å; G714-K718 WeakPolarHBondContact O-CG 3.39Å; G714-K718 PolarHBondContact O-N 2.78Å
715P94.2Very high95.5Very high105 Ų10568 Ų6868%0.68235%0.347SS*.Hα-helixtrans-59.7-36.4176.924.9-33.1000112.4K718 H719P715-K718 WeakPolarHBondContact O-CB 3.36Å; P715-K718 PolarHBondContact O-N 2.76Å; P715-H719 WeakPolarHBondContact O-CB 3.27Å; P715-H719 PolarHBondContact O-N 2.93Å
716E92.7Very high95.5Very high166 Ų16670.5 Ų70.578%0.77637%0.366SS*.Hα-helixtrans-63.9-49.3176.2-63.2166.8-177.300112.2G714 K718 H719 E720G714-E716 VanDerWaalsContact C-N 3.26Å; G714-E716 PolarHBondContact O-N 2.81Å; E716-K718 VanDerWaalsContact C-N 3.3Å; E716-K718 PolarHBondContact O-N 2.91Å; E716-H719 WeakPolarHBondContact O-CA 3.3Å; E716-H719 VanDerWaalsContact O-CB 3.23Å; E716-H719 WeakPolarHBondContact O-CB 2.93Å; E716-H719 PolarHBondContact O-N 2.62Å; E716-E720 PolarHBondContact O-N 3.37Å; E716-E720 VanDerWaalsContact O-N 3.1Å
717Q94.5Very high95.5Very high105 Ų10576 Ų7649%0.49139%0.392SS..Hα-helixtrans-63.2-37.6176.3-66.7170.9-1000111.3L713 G714 H719 E720 Y721L713-Q717 HydrophobicContact CB-CB 4.22Å; L713-Q717 HydrophobicContact CD2-CB 4.21Å; G714-Q717 PolarHBondContact O-N 3.39Å; Q717-H719 VanDerWaalsContact C-N 3.3Å; Q717-H719 PolarHBondContact O-N 3.1Å; Q717-E720 WeakPolarHBondContact O-CB 3.3Å; Q717-E720 PolarHBondContact O-N 3.36Å; Q717-Y721 WeakPolarHBondContact O-CD2 3.43Å
718K95.2Very high95.4Very high51 Ų5178.2 Ų78.222%0.22240%0.402CS..Hα-helixtrans-62.5-37.5170-74.4161175.4148.60111.4W710 Y711 L713 G714 P715 E716 Y721 H722W710-K718 HydrophobicContact CH2-CB 4.4Å; W710-K718 HydrophobicContact CH2-CG 4.23Å; W710-K718 HydrophobicContact CZ2-CG 4.28Å; W710-K718 WeakPolarHBondContact O-CE 3.22Å; Y711-K718 PolarHBondContact O-NZ 3.33Å; L713-K718 HydrophobicContact CB-CD 4.41Å; L713-K718 HydrophobicContact CB-CG 3.92Å; L713-K718 HydrophobicContact CD1-CG 4.36Å; L713-K718 WeakPolarHBondContact O-CE 3.16Å; L713-K718 PolarHBondContact O-NZ 3.02Å; G714-K718 WeakPolarHBondContact O-CG 3.39Å; G714-K718 PolarHBondContact O-N 2.78Å; P715-K718 WeakPolarHBondContact O-CB 3.36Å; P715-K718 PolarHBondContact O-N 2.76Å; E716-K718 VanDerWaalsContact C-N 3.3Å; E716-K718 PolarHBondContact O-N 2.91Å; K718-Y721 PolarHBondContact O-N 3.1Å; K718-H722 PolarHBondContact O-CD2 3.17Å; K718-H722 VanDerWaalsContact O-CD2 3.24Å; K718-H722 PolarHBondContact O-N 3.27Å
719H94.9Very high95.2Very high110 Ų11078.4 Ų78.451%0.50940%0.401SS..Hα-helixtrans-63.8-37.9178.9-169.376.5000112.5P715 E716 Q717 Y721 H722 N723P715-H719 WeakPolarHBondContact O-CB 3.27Å; P715-H719 PolarHBondContact O-N 2.93Å; E716-H719 WeakPolarHBondContact O-CA 3.3Å; E716-H719 VanDerWaalsContact O-CB 3.23Å; E716-H719 WeakPolarHBondContact O-CB 2.93Å; E716-H719 PolarHBondContact O-N 2.62Å; Q717-H719 VanDerWaalsContact C-N 3.3Å; Q717-H719 PolarHBondContact O-N 3.1Å; H719-Y721 PolarHBondContact O-N 3.43Å; H719-H722 PolarHBondContact O-N 3.48Å; H719-H722 VanDerWaalsContact O-N 3.12Å; H719-N723 PolarHBondContact CD2-ND2 2.98Å; H719-N723 PolarHBondContact NE2-ND2 3.41Å; H719-N723 PolarHBondContact O-N 2.92Å
720E94.8Very high95.1Very high84 Ų8481.3 Ų81.339%0.39342%0.417SS..Hα-helixtrans-51.7-54.1169.6-172.5-154.5150.900111R685 E716 Q717 H722 N723 L724R685-E720 IonicContact NH1-OE1 3.69Å; R685-E720 PolarHBondContact NH1-OE1 2.91Å; E716-E720 PolarHBondContact O-N 3.37Å; E716-E720 VanDerWaalsContact O-N 3.1Å; Q717-E720 WeakPolarHBondContact O-CB 3.3Å; Q717-E720 PolarHBondContact O-N 3.36Å; E720-H722 VanDerWaalsContact C-N 3.28Å; E720-H722 PolarHBondContact O-N 2.89Å; E720-N723 PolarHBondContact O-N 3.33Å; E720-L724 HydrophobicContact CG-CD1 4.21Å; E720-L724 WeakPolarHBondContact O-CG 3.16Å; E720-L724 PolarHBondContact O-N 3.37Å
721Y97.2Very high95Very high10 Ų1082.5 Ų82.54%0.03943%0.434CS..Hα-helixtrans-66.4-28.1179-66.3-72.4000113.3A678 I681 F682 R685 W710 L713 Q717 K718 H719 L724 A725A678-Y721 WeakPolarHBondContact CA-O 3.48Å; A678-Y721 VanDerWaalsContact CB-O 3.26Å; A678-Y721 WeakPolarHBondContact CB-O 3.39Å; I681-Y721 HydrophobicContact CB-CD1 4.38Å; I681-Y721 HydrophobicContact CG2-CD1 4.01Å; I681-Y721 HydrophobicContact CG2-CE1 4.43Å; F682-Y721 HydrophobicContact CB-CD1 3.91Å; F682-Y721 HydrophobicContact CB-CD2 4.41Å; F682-Y721 HydrophobicContact CB-CE1 4.12Å; F682-Y721 HydrophobicContact CB-CG 4.1Å; F682-Y721 HydrophobicContact CD2-CD2 4.34Å; F682-Y721 HydrophobicContact CD2-CE1 4.49Å; F682-Y721 AromaticContact CD2-CE2 3.99Å; F682-Y721 HydrophobicContact CD2-CE2 3.99Å; R685-Y721 WeakPolarHBondContact CD-OH 3.18Å; R685-Y721 PolarHBondContact NH1-OH 2.8Å; W710-Y721 AromaticContact CZ3-CD2 3.96Å; W710-Y721 HydrophobicContact CZ3-CD2 3.96Å; W710-Y721 HydrophobicContact CZ3-CG 4.01Å; L713-Y721 HydrophobicContact CD1-CD2 4.16Å; L713-Y721 HydrophobicContact CD1-CE2 4.12Å; Q717-Y721 WeakPolarHBondContact O-CD2 3.43Å; K718-Y721 PolarHBondContact O-N 3.1Å; H719-Y721 PolarHBondContact O-N 3.43Å; Y721-L724 HydrophobicContact CD1-CD1 4.36Å; Y721-A725 VanDerWaalsContact O-CB 3.26Å; Y721-A725 WeakPolarHBondContact O-CB 3.45Å; Y721-A725 PolarHBondContact O-N 3.32Å
722H96.1Very high94.9Very high90 Ų9074.9 Ų74.942%0.41741%0.405SS..Hα-helixtrans-70-41.7172-87.6-77.9000112.2K718 H719 E720 A725 C726K718-H722 PolarHBondContact O-CD2 3.17Å; K718-H722 VanDerWaalsContact O-CD2 3.24Å; K718-H722 PolarHBondContact O-N 3.27Å; H719-H722 PolarHBondContact O-N 3.48Å; H719-H722 VanDerWaalsContact O-N 3.12Å; E720-H722 VanDerWaalsContact C-N 3.28Å; E720-H722 PolarHBondContact O-N 2.89Å; H722-A725 WeakPolarHBondContact O-CB 3.35Å; H722-A725 PolarHBondContact O-N 3.38Å; H722-C726 PolarHBondContact O-N 2.92Å; H722-C726 PolarHBondContact O-SG 3.26Å; H722-C726 VanDerWaalsContact O-SG 3.34Å
723N96.3Very high94.6Very high69 Ų6974.9 Ų74.937%0.36939%0.389SS..Hα-helixtrans-67.3-43176.6-69.5-15.8000111.3H719 E720 A725 C726 Q727H719-N723 PolarHBondContact CD2-ND2 2.98Å; H719-N723 PolarHBondContact NE2-ND2 3.41Å; H719-N723 PolarHBondContact O-N 2.92Å; E720-N723 PolarHBondContact O-N 3.33Å; N723-A725 VanDerWaalsContact C-N 3.3Å; N723-A725 PolarHBondContact O-N 3.17Å; N723-C726 WeakPolarHBondContact O-CB 3.49Å; N723-C726 PolarHBondContact O-N 2.86Å; N723-C726 VanDerWaalsContact O-N 3.14Å; N723-Q727 WeakPolarHBondContact O-CG 3.33Å; N723-Q727 PolarHBondContact O-N 3.01Å
724L95Very high94.6Very high56 Ų5681.4 Ų81.429%0.29342%0.416SS..Hα-helixtrans-59.1-38.7170.6-69.7170.2000112.2I681 E720 Y721 Q727 V728I681-L724 HydrophobicContact CD1-CB 3.99Å; I681-L724 HydrophobicContact CG2-CD1 4.46Å; E720-L724 HydrophobicContact CG-CD1 4.21Å; E720-L724 WeakPolarHBondContact O-CG 3.16Å; E720-L724 PolarHBondContact O-N 3.37Å; Y721-L724 HydrophobicContact CD1-CD1 4.36Å; L724-Q727 PolarHBondContact O-N 2.92Å; L724-V728 WeakPolarHBondContact O-CB 3.33Å; L724-V728 VanDerWaalsContact O-CG2 3.3Å; L724-V728 WeakPolarHBondContact O-CG2 3.45Å; L724-V728 PolarHBondContact O-N 3.25Å
725A96.5Very high94.5Very high10 Ų1083.3 Ų83.38%0.08343%0.429CS..Hα-helixtrans-68.5-34.1175.400000112.8A678 I681 Y721 H722 N723 K729A678-A725 HydrophobicContact CB-CB 4.06Å; I681-A725 HydrophobicContact CD1-CB 4.03Å; Y721-A725 VanDerWaalsContact O-CB 3.26Å; Y721-A725 WeakPolarHBondContact O-CB 3.45Å; Y721-A725 PolarHBondContact O-N 3.32Å; H722-A725 WeakPolarHBondContact O-CB 3.35Å; H722-A725 PolarHBondContact O-N 3.38Å; N723-A725 VanDerWaalsContact C-N 3.3Å; N723-A725 PolarHBondContact O-N 3.17Å; A725-K729 WeakPolarHBondContact O-CB 3.26Å; A725-K729 PolarHBondContact O-N 2.92Å
726C94.8Very high94.3Very high73 Ų7381.4 Ų81.449%0.49341%0.411SS..Hα-helixtrans-65.5-46.7171.8-71.40000111.3H722 N723 K729 E730H722-C726 PolarHBondContact O-N 2.92Å; H722-C726 PolarHBondContact O-SG 3.26Å; H722-C726 VanDerWaalsContact O-SG 3.34Å; N723-C726 WeakPolarHBondContact O-CB 3.49Å; N723-C726 PolarHBondContact O-N 2.86Å; N723-C726 VanDerWaalsContact O-N 3.14Å; C726-K729 WeakPolarHBondContact O-CB 3.39Å; C726-K729 PolarHBondContact O-N 3.39Å; C726-E730 WeakPolarHBondContact O-CB 3Å; C726-E730 PolarHBondContact O-N 2.72Å
727Q95.8Very high94Very high119 Ų11978.8 Ų78.856%0.55641%0.409SS*.Hα-helixtrans-60.8-45.9175.4-67.9172.910.100112.2N723 L724 K729 E730 A731N723-Q727 WeakPolarHBondContact O-CG 3.33Å; N723-Q727 PolarHBondContact O-N 3.01Å; L724-Q727 PolarHBondContact O-N 2.92Å; Q727-K729 VanDerWaalsContact C-N 3.3Å; Q727-K729 PolarHBondContact O-N 3.3Å; Q727-E730 PolarHBondContact O-N 2.7Å; Q727-A731 VanDerWaalsContact O-CB 3.32Å; Q727-A731 WeakPolarHBondContact O-CB 3.38Å; Q727-A731 PolarHBondContact O-N 2.89Å
728V94.4Very high93.4Very high58 Ų5880.1 Ų80.135%0.35242%0.419SS..Hα-helixtrans-64.3-35.3177169.20000111.8P675 M676 I681 L724 H732P675-V728 HydrophobicContact CB-CG1 4.28Å; M676-V728 HydrophobicContact CB-CG1 3.98Å; I681-V728 HydrophobicContact CD1-CB 4.46Å; I681-V728 HydrophobicContact CD1-CG2 4.08Å; L724-V728 WeakPolarHBondContact O-CB 3.33Å; L724-V728 VanDerWaalsContact O-CG2 3.3Å; L724-V728 WeakPolarHBondContact O-CG2 3.45Å; L724-V728 PolarHBondContact O-N 3.25Å; V728-H732 VanDerWaalsContact O-CB 3.24Å; V728-H732 WeakPolarHBondContact O-CB 3.39Å; V728-H732 PolarHBondContact O-N 2.89Å; V728-H732 VanDerWaalsContact O-N 3.11Å
729K93.3Very high92.9Very high117 Ų11780 Ų8051%0.50942%0.417SS..Hα-helixtrans-67.3-45.8173.2176.4-167.2170-159.40111.3P675 A725 C726 Q727 H732 F733P675-K729 HydrophobicContact CB-CB 4.36Å; P675-K729 HydrophobicContact CG-CB 4.46Å; P675-K729 HydrophobicContact CG-CG 4.47Å; A725-K729 WeakPolarHBondContact O-CB 3.26Å; A725-K729 PolarHBondContact O-N 2.92Å; C726-K729 WeakPolarHBondContact O-CB 3.39Å; C726-K729 PolarHBondContact O-N 3.39Å; Q727-K729 VanDerWaalsContact C-N 3.3Å; Q727-K729 PolarHBondContact O-N 3.3Å; K729-H732 PolarHBondContact O-N 3.02Å; K729-F733 HydrophobicContact CG-CD2 3.91Å; K729-F733 HydrophobicContact CG-CE2 3.75Å; K729-F733 WeakPolarHBondContact O-CD2 3.28Å; K729-F733 PolarHBondContact O-N 3.09Å
730E94.2Very high92.2Very high125 Ų12583.1 Ų83.158%0.58443%0.429SS*.Hα-helixtrans-63-52178-169.6-163.5138.900111.2C726 Q727 H732 F733 K734C726-E730 WeakPolarHBondContact O-CB 3Å; C726-E730 PolarHBondContact O-N 2.72Å; Q727-E730 PolarHBondContact O-N 2.7Å; E730-H732 PolarHBondContact O-N 3.1Å; E730-F733 CarbonylContact O-C 3.47Å; E730-F733 PolarHBondContact O-N 2.86Å; E730-K734 WeakPolarHBondContact O-CB 3.14Å; E730-K734 PolarHBondContact O-N 2.93Å
731A93.9Very high91.3Very high58 Ų5886 Ų8648%0.47944%0.437SS..Hα-helixtrans-56.2-38.317700000112.1Q727 K734 A735Q727-A731 VanDerWaalsContact O-CB 3.32Å; Q727-A731 WeakPolarHBondContact O-CB 3.38Å; Q727-A731 PolarHBondContact O-N 2.89Å; A731-K734 PolarHBondContact O-N 3.23Å; A731-A735 WeakPolarHBondContact O-CB 3.31Å; A731-A735 PolarHBondContact O-N 3.41Å
732H93.7Very high89.9Confident22 Ų2290.3 Ų90.310%0.10247%0.467CS..Hα-helixtrans-63.7-46.3173175.2-66.2000112.5I672 R673 P675 V728 K729 E730 K734 A735 H736 W739I672-H732 VanDerWaalsContact CG2-NE2 3.26Å; I672-H732 WeakPolarHBondContact CG2-NE2 3.43Å; R673-H732 PolarHBondContact O-CD2 3.43Å; R673-H732 PolarHBondContact O-NE2 3.26Å; P675-H732 HydrophobicContact CB-CB 3.87Å; P675-H732 HydrophobicContact CG-CB 4.34Å; V728-H732 VanDerWaalsContact O-CB 3.24Å; V728-H732 WeakPolarHBondContact O-CB 3.39Å; V728-H732 PolarHBondContact O-N 2.89Å; V728-H732 VanDerWaalsContact O-N 3.11Å; K729-H732 PolarHBondContact O-N 3.02Å; E730-H732 PolarHBondContact O-N 3.1Å; H732-K734 VanDerWaalsContact C-N 3.34Å; H732-A735 PolarHBondContact O-N 3.09Å; H732-H736 AromaticContact NE2-CD2 3.99Å; H732-H736 WeakPolarHBondContact O-CB 3.12Å; H732-H736 PolarHBondContact O-N 3.1Å; H732-W739 AromaticContact CE1-CD2 3.41Å; H732-W739 VanDerWaalsContact CE1-CD2 3.41Å; H732-W739 AromaticContact CE1-CE2 3.83Å; H732-W739 AromaticContact CE1-CE3 3.57Å; H732-W739 AromaticContact CE1-CG 3.65Å
733F91.4Very high88.3Confident87 Ų8789.8 Ų89.838%0.38247%0.474SS..Hα-helixtrans-69.5-31177.1-77.5-66.3000112.8K729 E730 H736 P737 W739K729-F733 HydrophobicContact CG-CD2 3.91Å; K729-F733 HydrophobicContact CG-CE2 3.75Å; K729-F733 WeakPolarHBondContact O-CD2 3.28Å; K729-F733 PolarHBondContact O-N 3.09Å; E730-F733 CarbonylContact O-C 3.47Å; E730-F733 PolarHBondContact O-N 2.86Å; F733-H736 CarbonylContact O-C 3.59Å; F733-H736 VanDerWaalsContact O-C 3.26Å; F733-H736 PolarHBondContact O-N 3.17Å; F733-P737 WeakPolarHBondContact O-CA 3.22Å; F733-W739 AromaticContact CE1-CE3 3.84Å; F733-W739 HydrophobicContact CE1-CE3 3.84Å; F733-W739 HydrophobicContact CE1-CZ3 4.31Å; F733-W739 HydrophobicContact CZ-CE3 4.14Å; F733-W739 HydrophobicContact CZ-CZ3 4.13Å
734K92.7Very high86.4Confident167 Ų16794.5 Ų94.573%0.72649%0.491SS*.Hα-helixtrans-68.3-39174-169.1170.7-175.3170.20112.2E730 A731 H732E730-K734 WeakPolarHBondContact O-CB 3.14Å; E730-K734 PolarHBondContact O-N 2.93Å; A731-K734 PolarHBondContact O-N 3.23Å; H732-K734 VanDerWaalsContact C-N 3.34Å
735A93.3Very high83.9Confident68 Ų68100.1 Ų100.156%0.56252%0.515SS*.Hα-helixtrans-76.8-27.9173.800000113.4A731 H732A731-A735 WeakPolarHBondContact O-CB 3.31Å; A731-A735 PolarHBondContact O-N 3.41Å; H732-A735 PolarHBondContact O-N 3.09Å
736H88.8Confident81.4Confident65 Ų65109.2 Ų109.230%0.30155%0.553SS.*  trans-135.766.5-175-52.6-48.1000112.1I672 H732 F733 N738 W739I672-H736 HydrophobicContact CD1-CB 4.1Å; I672-H736 HydrophobicContact CG2-CB 4.38Å; I672-H736 WeakPolarHBondContact CG2-CD2 3.44Å; H732-H736 AromaticContact NE2-CD2 3.99Å; H732-H736 WeakPolarHBondContact O-CB 3.12Å; H732-H736 PolarHBondContact O-N 3.1Å; F733-H736 CarbonylContact O-C 3.59Å; F733-H736 VanDerWaalsContact O-C 3.26Å; F733-H736 PolarHBondContact O-N 3.17Å; H736-N738 PolarHBondContact O-N 3.1Å; H736-W739 HydrophobicContact CB-CB 3.87Å; H736-W739 VanDerWaalsContact O-CB 3.24Å; H736-W739 WeakPolarHBondContact O-CB 3.34Å; H736-W739 PolarHBondContact O-N 3.35Å
737P87.1Confident78.8Confident111 Ų111115.4 Ų115.472%0.72157%0.572SS**THydrogen-bonded Turntrans-65.7-22.6-174.725.7-35.4000113.5F733F733-P737 WeakPolarHBondContact O-CA 3.22Å
738N82.7Confident76.2Confident132 Ų132116.4 Ų116.471%0.70658%0.576SS**THydrogen-bonded Turntrans-90.64.8175.363.41.9000113.8H736 K740H736-N738 PolarHBondContact O-N 3.1Å; N738-K740 PolarHBondContact O-N 2.97Å
739W84.5Confident73.6Confident48 Ų48119.9 Ų119.918%0.18260%0.597CS.*  trans-70.9119.9-178.2-176.779.9000112.4I672 R674 H732 F733 H736 W741I672-W739 VanDerWaalsContact CB-CD1 3.5Å; I672-W739 HydrophobicContact CG2-CG 4.03Å; I672-W739 PolarHBondContact O-NE1 3.22Å; R674-W739 HydrophobicContact CB-CH2 4.2Å; R674-W739 HydrophobicContact CB-CZ2 4.27Å; R674-W739 HydrophobicContact CG-CH2 4.09Å; R674-W739 HydrophobicContact CG-CZ2 3.97Å; H732-W739 AromaticContact CE1-CD2 3.41Å; H732-W739 VanDerWaalsContact CE1-CD2 3.41Å; H732-W739 AromaticContact CE1-CE2 3.83Å; H732-W739 AromaticContact CE1-CE3 3.57Å; H732-W739 AromaticContact CE1-CG 3.65Å; F733-W739 AromaticContact CE1-CE3 3.84Å; F733-W739 HydrophobicContact CE1-CE3 3.84Å; F733-W739 HydrophobicContact CE1-CZ3 4.31Å; F733-W739 HydrophobicContact CZ-CE3 4.14Å; F733-W739 HydrophobicContact CZ-CZ3 4.13Å; H736-W739 HydrophobicContact CB-CB 3.87Å; H736-W739 VanDerWaalsContact O-CB 3.24Å; H736-W739 WeakPolarHBondContact O-CB 3.34Å; H736-W739 PolarHBondContact O-N 3.35Å; W739-W741 HydrophobicContact CH2-CB 4.13Å; W739-W741 HydrophobicContact CZ2-CB 4.41Å
740K79.5Confident71.3Confident176 Ų176121.4 Ų121.477%0.76561%0.61SS**  trans-114.8136.6170.3-64.1-178.3-179.9179.50109N738 C742N738-K740 PolarHBondContact O-N 2.97Å; K740-C742 PolarHBondContact O-N 2.75Å
741W76.1Confident68.8Low145 Ų145124.5 Ų124.555%0.54962%0.622SS.*  trans-72.594.3176.4170.142.7000110.9R674 W739R674-W741 VanDerWaalsContact CZ-NE1 3.31Å; R674-W741 VanDerWaalsContact NH1-CE2 3.28Å; R674-W741 VanDerWaalsContact NH2-NE1 3.11Å; W739-W741 HydrophobicContact CH2-CB 4.13Å; W739-W741 HydrophobicContact CZ2-CB 4.41Å
742C68.4Low66.1Low101 Ų101129.4 Ų129.468%0.68263%0.632SS**  trans-74.1126.2164.8-59.80000110K740K740-C742 PolarHBondContact O-N 2.75Å
743S61.7Low63.4Low79 Ų79132.2 Ų132.255%0.55266%0.655SS**  trans-64.3138.9164.3-167.60000109.3E745S743-E745 PolarHBondContact O-N 3.03Å
744K56.9Low60.8Low167 Ų167135.3 Ų135.373%0.72667%0.67SS**  trans-76.385.7167.3-85.2-170.8175.8-179.30108.1K746K744-K746 PolarHBondContact O-N 3.23Å
745E42.9Very low58.1Low174 Ų174131 Ų13181%0.81367%0.674SS**  trans-54.2129.8164.5-63.1-168.2147.200108.8S743 K747S743-E745 PolarHBondContact O-N 3.03Å; E745-K747 PolarHBondContact O-N 3.23Å
746K43.2Very low55.4Low202 Ų202135.2 Ų135.288%0.87869%0.687SS**  trans-69.898.6178-69178.5-179.1175.90107K744 H748K744-K746 PolarHBondContact O-N 3.23Å; K746-H748 VanDerWaalsContact C-N 3.34Å; K746-H748 PolarHBondContact O-N 2.96Å
747K40.1Very low53.1Low202 Ų202136.8 Ų136.888%0.87871%0.705SS**  trans-58.597.6178.4-149.2176.7-169.8-175.80108.7E745 V749E745-K747 PolarHBondContact O-N 3.23Å; K747-V749 PolarHBondContact O-N 3.32Å
748H40.8Very low50.5Low140 Ų140137.4 Ų137.465%0.64870%0.702SS**  trans-69.4122.7-177-170.6-88.4000107.4K746 L750K746-H748 VanDerWaalsContact C-N 3.34Å; K746-H748 PolarHBondContact O-N 2.96Å; H748-L750 PolarHBondContact O-N 2.85Å
749V41.1Very low48.3Very low131 Ų131137.3 Ų137.379%0.79470%0.702SS**  trans-75.893.7-177.3-178.60000108.3K747K747-V749 PolarHBondContact O-N 3.32Å
750L43.7Very low45.9Very low150 Ų150143.1 Ų143.179%0.78573%0.731SS**  trans-97.4135.3157.9-69.8170.4000108.1H748H748-L750 PolarHBondContact O-N 2.85Å
751K41.7Very low43.8Very low190 Ų190139.6 Ų139.683%0.82673%0.728SS**  trans-155.3156.6-178.9-142-165.9-178.5-154.60107
752K37.8Very low41.6Very low160 Ų160137.8 Ų137.870%0.69674%0.738SS**  trans73.8134.2-162.4-54.9-144.868.3179.10113.2E754K752-E754 WeakPolarHBondContact CE-OE2 3.48Å; K752-E754 IonicContact NZ-OE2 4Å; K752-E754 PolarHBondContact NZ-OE2 3.07Å
753S36Very low39.8Very low82 Ų82137.5 Ų137.557%0.57374%0.737SS**  cis76.5153.729830000114
754E37.4Very low38.5Very low151 Ų151139.8 Ų139.871%0.70675%0.748SS**  cis-146164.915.3-110105.5-141.800111.4K752K752-E754 WeakPolarHBondContact CE-OE2 3.48Å; K752-E754 IonicContact NZ-OE2 4Å; K752-E754 PolarHBondContact NZ-OE2 3.07Å
755G36.5Very low37.1Very low78 Ų78140.5 Ų140.580%0.80475%0.751SS**  trans77.3167.1150.300000119.7
756D37.4Very low36.6Very low156 Ų156137.1 Ų137.183%0.83475%0.745SS**  cis-167.6170.6-22.8-159.66.7000110.5
757S39.3Very low35.8Very low97 Ų97136.3 Ų136.368%0.67874%0.742SS**  trans69.4149.6169.880.20000116.5
758N32.2Very low35.2Very low124 Ų124131.6 Ų131.666%0.66373%0.727SS**  cis-162.2165.8-9.1-12638.8000110.3
759D37.1Very low35.2Very low131 Ų131131.3 Ų131.370%0.70174%0.738SS**  trans60.4149.6148.4-54.3-22.9000120.6
760E34.4Very low34.6Very low169 Ų169129.9 Ų129.979%0.7973%0.733SS**  cis-154.9144.1-22.517617193.200110.1
761S34.6Very low33.9Very low103 Ų103125.7 Ų125.772%0.7273%0.726SS**  trans18.2136.3156-500000124.2
762S30.3Very low33.5Very low107 Ų107122.9 Ų122.975%0.74873%0.73SS**  67.1107.4124.7179.30000121.1
763S29.8Very low33.2Very low95 Ų95119.1 Ų119.166%0.66473%0.729SS**  159.6169.296.861.70000113
764T34.5Very low32.8Very low126 Ų126123.4 Ų123.477%0.77374%0.74SS**  trans71.6142.1150.6-50.20000117.4
765F28.6Very low32.3Very low182 Ų182120.7 Ų120.780%0.79874%0.738SS**  cis-172.2166.4-38.7-137.7-87.1000105.7
766C31.4Very low32Very low103 Ų103122.2 Ų122.270%0.69673%0.732SS**  trans66.8137.3173.6-56.10000116
767F27.4Very low31.7Very low186 Ų186119.5 Ų119.582%0.81672%0.721SS**  cis77.8116.141.9-87.2-102.8000115.4
768D27.2Very low31.2Very low102 Ų102121.1 Ų121.155%0.54572%0.718SS.*  trans60.7145.2159.9-77.1-76.7000119.2S770D768-S770 VanDerWaalsContact OD1-CB 3.27Å; D768-S770 WeakPolarHBondContact OD1-CB 3.41Å; D768-S770 PolarHBondContact OD1-N 2.64Å; D768-S770 PolarHBondContact OD1-OG 2.94Å
769P40.9Very low31.2Very low135 Ų135123.5 Ų123.588%0.87772%0.718SS**  -128.290.486.937-28.1000114.1
770S28.6Very low30.9Very low100 Ų100122.8 Ų122.870%0.69971%0.714SS**  trans-90.9110.5147.662.50000109.3D768D768-S770 VanDerWaalsContact OD1-CB 3.27Å; D768-S770 WeakPolarHBondContact OD1-CB 3.41Å; D768-S770 PolarHBondContact OD1-N 2.64Å; D768-S770 PolarHBondContact OD1-OG 2.94Å
771G29.4Very low31.2Very low62 Ų62121.7 Ų121.764%0.63971%0.712SS**  trans168.9131.1-179.500000113.1
772S32Very low31.2Very low131 Ų131123.6 Ų123.692%0.91671%0.714SS**  trans60.7142.2-174.881.50000115.8
773A31.7Very low31.8Very low82 Ų82123.6 Ų123.668%0.67871%0.712SS**  cis-150.2179.3-23.800000109.1
774E28.1Very low31.9Very low171 Ų171124.3 Ų124.380%0.79971%0.712SS**  trans-11.3137158.6-76.2138.5103.400117.8
775S26.6Very low31.8Very low94 Ų94125.1 Ų125.166%0.65771%0.711SS**  64.4139.885.7120.10000113.2
776T30Very low32.1Very low110 Ų110120.4 Ų120.468%0.67571%0.706SS**  cis-153.1173.620.6-7.30000111.2
777T30.6Very low32.5Very low100 Ų100123 Ų12361%0.61371%0.713SS**  trans32.9114.9148.1600000120.1
778E29.2Very low32.8Very low130 Ų130116.8 Ų116.861%0.60770%0.701SS**  102.4150.578-82.1-171.8122.300111.5
779R32.1Very low33.5Very low174 Ų174117.5 Ų117.566%0.65771%0.711SS**  trans47.3139.4133.3-64.7-166.9-69.6111.62.9120.3
780D31.7Very low33.1Very low117 Ų117119.1 Ų119.163%0.62671%0.711SS**  cis-161.5-167.44.3-96.8-28.3000108.3
781I41.3Very low33.3Very low146 Ų146117.6 Ų117.675%0.74971%0.711SS**  trans83.185.2156.7-52.7121.2000117
782D33.1Very low33.2Very low143 Ų143125.3 Ų125.377%0.76572%0.722SS**  38.8158.794.6-62.5-31.7000120.9
783P43.3Very low33.2Very low107 Ų107123.5 Ų123.570%0.69571%0.71SS**  cis-142.5-153.4-41.838.1-18.1000111.9
784V32Very low33Very low110 Ų110124.9 Ų124.967%0.66771%0.714SS**  trans99.5122.9135.1125.50000120.7
785N32.6Very low33.1Very low142 Ų142125.2 Ų125.276%0.75972%0.716SS**  trans62.3150.8149.4-60.9-8.1000119.2
786A36Very low33.2Very low83 Ų83128.1 Ų128.169%0.68672%0.719SS**  cis-162.9162.1-7.200000107.4
787D39.1Very low33.3Very low158 Ų158130.1 Ų130.185%0.84572%0.719SS**  cis-152.7-170.9-3.9-125-47.4000107
788G32.9Very low33.1Very low56 Ų56130.4 Ų130.458%0.57772%0.72SS**  cis164.4146.72.400000108.7
789P43.3Very low33.1Very low116 Ų116130.1 Ų130.175%0.75372%0.723SS**  trans-117.3-162.5-156.839.1-25.1000114.2
790I31Very low33.2Very low169 Ų169126.9 Ų126.987%0.86772%0.718SS**  trans139.4141.6146.8-70.5154.3000112.8
791G33.7Very low33.1Very low68 Ų68128.1 Ų128.170%0.70172%0.718SS**  trans99.999.6171.500000114.2
792Y27.4Very low32.6Very low224 Ų224125.2 Ų125.288%0.87870%0.701SS**  cis103.7135.220.4-156.5-82.7000114
793S32Very low32.6Very low94 Ų94120.7 Ų120.766%0.65769%0.688SS**  trans59.8129.6-169.9-67.30000116
794S27Very low32Very low110 Ų110121.9 Ų121.977%0.76970%0.698SS**  cis77.487.714.5-165.50000117.5
795E31.3Very low32.1Very low179 Ų179124.5 Ų124.584%0.83671%0.708SS**  trans-164.2125.8142.2-100.5155.9164.100105.8
796E28Very low32.2Very low155 Ų155121.2 Ų121.272%0.72470%0.701SS**  49.1132.689.6-76-160104.600114.9
797K31Very low32Very low151 Ų151122.8 Ų122.866%0.65770%0.698SS**  cis-179.2166.1-1.3173.1159.1161.7-168.80112.4
798T27.5Very low31.8Very low106 Ų106117.9 Ų117.965%0.6568%0.679SS**  trans67.9127.1156.539.10000122
799D28.5Very low32Very low124 Ų124121.7 Ų121.766%0.66368%0.682SS**  94.4102122.3-66.48000125.4
800L34.2Very low31.9Very low106 Ų106120.8 Ų120.856%0.55568%0.675SS**  68.8126.2106.9-98.679.8000125.2
801F30.4Very low32.4Very low144 Ų144121.8 Ų121.863%0.63268%0.676SS**  94.4137.5123.2-122-108.3000125P861F801-P861 WeakPolarHBondContact O-CD 3.26Å; F801-P861 WeakPolarHBondContact O-CG 3.5Å
802H31.2Very low32.9Very low84 Ų84121.8 Ų121.839%0.38968%0.676SS.*  trans91.5152.9171.6-48.391.8000118.2Q860 P861 S862H802-Q860 PolarHBondContact O-OE1 3.21Å; H802-P861 HydrophobicContact CB-CG 3.68Å; H802-P861 WeakPolarHBondContact O-CG 3.12Å; H802-S862 VanDerWaalsContact CB-OG 3.27Å; H802-S862 WeakPolarHBondContact CB-OG 3.44Å
803G32.8Very low33.6Very low48 Ų48117.2 Ų117.250%0.49568%0.677SS.*  cis118.6130.9-8.900000115.2
804C29.7Very low34.1Very low133 Ų133116.4 Ų116.490%0.89968%0.683SS**  trans-139.4129.7174.9-56.80000111.2
805N35.6Very low34.7Very low164 Ų164118.8 Ų118.888%0.87769%0.686SS**  trans-163.6160.5-179.1-173.433.7000109.5
806A33.2Very low35.1Very low74 Ų74117.5 Ų117.561%0.61268%0.683SS**  trans-157.2142.1175.700000109.1
807N31.8Very low35.6Very low115 Ų115115.2 Ų115.262%0.61568%0.684SS**  cis-155.7171.83.6-99.8-11.5000107.7
808A35.9Very low36.1Very low56 Ų56113.3 Ų113.346%0.46369%0.687SS.*  cis-173.6-168.8-23.600000108.2
809E37.7Very low36.5Very low136 Ų136113.3 Ų113.364%0.63669%0.692SS**  trans72.2142.6158.4-61.7-172.172.200118.5
810T41.1Very low36.7Very low97 Ų97117 Ų11760%0.59570%0.702SS**  cis-163.2138.2-6-111.30000113.4
811Q40.3Very low36.7Very low189 Ų189118.5 Ų118.588%0.88372%0.715SS**  trans50.8151.2156.7-5916544.500121
812G45.3Very low36.7Very low68 Ų68116.5 Ų116.570%0.70172%0.719SS**  cis161.9171.6-3.100000110.2
813S41.2Very low36.7Very low129 Ų129118.2 Ų118.290%0.90274%0.741SS**  cis-173138.3-22.2-75.30000112.6
814G43.1Very low36.7Very low76 Ų76119.4 Ų119.478%0.78475%0.753SS**  trans102.8158.5162.400000119.3
815L39.8Very low36.7Very low161 Ų161119.7 Ų119.784%0.84375%0.751SS**  cis-163.6152.5-10.3-101.4179.5000113.4
816I39.3Very low36.5Very low151 Ų151116.2 Ų116.277%0.77474%0.739SS**  trans80157.4153.7-65.4161.9000121
817S37.3Very low36.1Very low107 Ų107118.2 Ų118.275%0.74875%0.747SS**  trans-145.8-164.4-170.7-51.50000109.7
818P42.5Very low35.9Very low111 Ų111121.5 Ų121.572%0.72176%0.756SS**  cis-145.5174.2-1.544-24.3000119.3
819S34.9Very low35.6Very low106 Ų106125.2 Ų125.274%0.74177%0.773SS**  trans83.4134.4139.675.20000125.2
820K33.6Very low35Very low201 Ų201129.1 Ų129.187%0.87478%0.781SS**  trans90141.6149.8-81.1-177.7178177.30122.8
821V33.3Very low34.8Very low139 Ų139129 Ų12984%0.84278%0.784SS**  trans70.6119.8164.4-125.30000122.6
822S30.9Very low34.2Very low102 Ų102129.2 Ų129.271%0.71378%0.779SS**  trans70134.8144.6-149.90000123.4
823S32.4Very low33.7Very low120 Ų120132.4 Ų132.484%0.83978%0.779SS**  trans68.6164.9154.778.20000118.6
824G31.8Very low33.4Very low72 Ų72131.7 Ų131.774%0.74277%0.765SS**  trans107.495.9165.100000116.7
825T30.1Very low33.2Very low140 Ų140133.3 Ų133.386%0.85976%0.762SS**  trans-33.9153.616236.70000119.4
826S31.3Very low32.9Very low90 Ų90127 Ų12763%0.62973%0.731SS**  trans79.695.3140.7-175.60000120.8
827C25.5Very low32.9Very low116 Ų116126.5 Ų126.578%0.78473%0.727SS**  45.681.5120.3-56.80000120
828K27.6Very low32.8Very low185 Ų185125.7 Ų125.780%0.80472%0.721SS**  -172.4133.6126-107.2162.1-176.41750115.1
829V28Very low32.5Very low134 Ų134125.4 Ų125.481%0.81273%0.729SS**  trans30.8109.9133.9-1760000118.2
830R26.3Very low32.4Very low217 Ų217127.8 Ų127.882%0.81974%0.738SS**  -157.9156.3113.6-135.1163.6176.9142.1-4.9112.8
831S35.7Very low32.5Very low94 Ų94121.7 Ų121.766%0.65773%0.732SS**  trans-101.4147.7175.551.70000111.6
832Y29.3Very low32.6Very low195 Ų195118.4 Ų118.477%0.76573%0.727SS**  trans-167.1147155.9-89.6-81.8000108
833L33.7Very low32.9Very low135 Ų135120.7 Ų120.771%0.70774%0.736SS**  cis-165.5-178.5-38.4-126.8161.5000109.5
834D35.3Very low33.1Very low114 Ų114122.7 Ų122.761%0.6173%0.732SS**  trans-45.1165.8174.9-99.7-65.8000116.8
835P38Very low33.5Very low110 Ų110124.4 Ų124.471%0.71473%0.73SS**  cis-153.1172.347.542.8-21.6000120.9
836S34Very low33.7Very low29 Ų29124.1 Ų124.120%0.20372%0.724CS.*  trans-85.4155.9162.765.90000114.7A863 K864S836-A863 PolarHBondContact OG-O 3.17Å; S836-K864 PolarHBondContact O-NZ 3.3Å; S836-K864 WeakPolarHBondContact OG-CE 3.48Å
837M40Very low34.1Very low139 Ų139125 Ų12569%0.68573%0.727SS**  trans-174.7153.7134-88.8-117.869.600110.8K864M837-K864 HydrophobicContact CG-CD 3.89Å; M837-K864 HydrophobicContact SD-CD 4.21Å
838S35.1Very low34.4Very low90 Ų90123.5 Ų123.563%0.62972%0.723SS**  trans-125.2135.5-174.157.70000112.5
839A36Very low34.6Very low106 Ų106121.9 Ų121.988%0.87672%0.722SS**  trans-158.2134.1155.600000109.8
840V32.6Very low34.8Very low155 Ų155122.3 Ų122.394%0.93971%0.714SS**  trans-103.2141.9176.2177.10000109
841G35.9Very low35.1Very low73 Ų73118.2 Ų118.275%0.75370%0.704SS**  trans-112.9137.3168.200000111.7
842G34.7Very low35Very low70 Ų70117.4 Ų117.472%0.72271%0.711SS**  trans103.2102.9146.300000119.5
843V38.3Very low35.2Very low150 Ų150114.7 Ų114.791%0.90971%0.714SS**  trans81.3135.7135.6-165.50000119.9
844Q35.1Very low35Very low162 Ų162116.8 Ų116.876%0.75772%0.72SS**  trans-61.9-177.3170.8-100-175.4-15.700115.3
845P40.6Very low34.9Very low108 Ų108115.4 Ų115.470%0.70172%0.72SS**  cis-132.4178.41.418.77.8000117
846D33.7Very low34.5Very low135 Ų135116.8 Ų116.872%0.72273%0.726SS**  trans-15.7164.9145.2-74.9-53.6000120.8
847P41.1Very low34.3Very low109 Ų109119.4 Ų119.471%0.70875%0.749SS**  cis-143.2178.8-19.737.8-18.8000116.3
848A30.9Very low33.9Very low83 Ų83120.1 Ų120.169%0.68676%0.755SS**  trans75.1150.1139.900000123.4
849I32.6Very low33.6Very low152 Ų152125.6 Ų125.678%0.77976%0.762SS**  trans81.7112.8150-73.1156.5000120.2
850H32Very low33.9Very low143 Ų143127.6 Ų127.666%0.66275%0.753SS**  trans69.5124.7144-82.6-124.2000123.4
851H32.8Very low34.3Very low131 Ų131122.9 Ų122.961%0.60673%0.726SS**  trans57127.4132.9-76.6-112.4000121N303N303-H851 PolarHBondContact ND2-CE1 2.84Å; N303-H851 VanDerWaalsContact ND2-CE1 3.3Å; N303-H851 PolarHBondContact ND2-NE2 3.31Å; N303-H851 VanDerWaalsContact ND2-NE2 3.18Å
852G33.2Very low34.5Very low77 Ų77121.1 Ų121.179%0.79470%0.702SS**  trans167.397.9167.100000112
853V33.3Very low34.7Very low138 Ų138120 Ų12084%0.83669%0.686SS**  trans-58.5147.3179.8-76.80000114.1
854E30.5Very low34.8Very low178 Ų178118.5 Ų118.583%0.83267%0.667SS**  trans40.8135.6144.9-67.7-146.48400121.1
855S31.5Very low35Very low86 Ų86117.2 Ų117.260%0.60167%0.665SS**  cis-169161.49.1-129.80000113.5
856V31.3Very low35Very low139 Ų139115.2 Ų115.284%0.84265%0.653SS**  trans77.3141.9147.11670000121.5
857A29.3Very low35.2Very low84 Ų84112.3 Ų112.369%0.69465%0.648SS**  trans88.277.215600000122.8
858L32.1Very low35Very low154 Ų154112.4 Ų112.481%0.80665%0.652SS**  34119.8119.4-82.4163.3000121.6
859R28.2Very low35.1Very low205 Ų205112.6 Ų112.677%0.77465%0.653SS**  -160.6-167.4104.5-106178.6-175.2-158.44.1113.1
860Q42.3Very low35.2Very low147 Ų147115 Ų11569%0.68766%0.658SS**  trans-148.1-165.3-149.3-115.5-173.9-39.800110H802H802-Q860 PolarHBondContact O-OE1 3.21Å
861P41.3Very low34.9Very low57 Ų57117.9 Ų117.937%0.3767%0.665SS.*  cis-153.2-166-35.943.7-24.9000117.7F801 H802F801-P861 WeakPolarHBondContact O-CD 3.26Å; F801-P861 WeakPolarHBondContact O-CG 3.5Å; H802-P861 HydrophobicContact CB-CG 3.68Å; H802-P861 WeakPolarHBondContact O-CG 3.12Å
862S39.6Very low34.8Very low35 Ų35115.7 Ų115.725%0.24566%0.664CS.*  trans75.5156.2142.1-77.20000124H802H802-S862 VanDerWaalsContact CB-OG 3.27Å; H802-S862 WeakPolarHBondContact CB-OG 3.44Å
863A38.9Very low34.8Very low48 Ų48119 Ų11940%0.39766%0.659SS.*  cis-179.4167.1-13.200000111.9S836S836-A863 PolarHBondContact OG-O 3.17Å
864K39.5Very low34.7Very low118 Ų118118.6 Ų118.651%0.51365%0.651SS.*  trans165.9146144.2-95.7159.2-174.8173.50120.7S836 M837S836-K864 PolarHBondContact O-NZ 3.3Å; S836-K864 WeakPolarHBondContact OG-CE 3.48Å; M837-K864 HydrophobicContact CG-CD 3.89Å; M837-K864 HydrophobicContact SD-CD 4.21Å
865L39.9Very low34.5Very low135 Ų135118 Ų11871%0.70765%0.649SS**  trans66.3167.1146.8-65.1170.1000121.8
866S41Very low34.4Very low66 Ų66118.2 Ų118.246%0.46265%0.65SS.*  cis-175.5173.3-32.859.50000115.1
867A37.8Very low34.4Very low74 Ų74119.8 Ų119.861%0.61265%0.65SS**  trans82175.8154.800000123.4
868S36.4Very low34.4Very low111 Ų111120 Ų12078%0.77665%0.646SS**  trans-152-178.5-148.8690000118.8
869A33.2Very low34.2Very low87 Ų87120 Ų12072%0.71965%0.647SS**  trans89.7169.6159.600000121.3
870F35.8Very low34.5Very low203 Ų203115.1 Ų115.189%0.8965%0.651SS**  trans77.7137.3-171.3-73.1-90.7000118
871Y26.1Very low33.8Very low203 Ų203117 Ų11780%0.79666%0.657SS**  cis154.1108.8-36-173.9-96.9000108.5
872S29Very low33.7Very low84 Ų84120.1 Ų120.159%0.58768%0.677SS**  trans73.4-178.7151.7-56.30000120.8
873Q34.8Very low33.4Very low148 Ų148125.5 Ų125.569%0.69270%0.702SS**  trans83.469168.2-113.861.6500120.2
874L29.3Very low33.2Very low128 Ų128126.2 Ų126.267%0.6771%0.714SS**  50.3156.8108.4-74.4168.9000122.2
875Q28.1Very low33.3Very low167 Ų167126.7 Ų126.778%0.7873%0.729SS**  trans67131.8151.1-73.5156-14.100116.4
876S29.5Very low33Very low89 Ų89126.8 Ų126.862%0.62273%0.726SS**  cis-173.2146.726.2-153.50000111.1
877M29.9Very low32.7Very low172 Ų172132.3 Ų132.385%0.84775%0.746SS**  trans36.8132.2139.1-60.5174.6-173.900120.2
878S29.4Very low32.3Very low89 Ų89133.6 Ų133.662%0.62274%0.742SS**  cis165.6168.914.751.60000108.9
879N27.6Very low32Very low154 Ų154136.9 Ų136.982%0.82475%0.745SS**  trans66.289.5148.8-57.7-14.2000121.9
880A34.3Very low31.8Very low103 Ų103136.4 Ų136.485%0.85174%0.737SS**  trans-154.6143141.200000111.3
881F28Very low31.5Very low186 Ų186134.3 Ų134.382%0.81673%0.734SS**  trans-134.1145.2176-91.9-82.8000109.9I883F881-I883 HydrophobicContact CB-CD1 4.31Å; F881-I883 HydrophobicContact CB-CG1 4.39Å
882P40.7Very low31.5Very low122 Ų122130.4 Ų130.479%0.79273%0.727SS**  -134.8150.5107.236.1-26000112.2
883I32.4Very low31.7Very low148 Ų148132.2 Ų132.276%0.75973%0.73SS**  cis101.8101.727.3-65.5164000114F881F881-I883 HydrophobicContact CB-CD1 4.31Å; F881-I883 HydrophobicContact CB-CG1 4.39Å
884G34.8Very low31.3Very low63 Ų63130.5 Ų130.565%0.64973%0.734SS**  trans75.1171.614100000119.8
885P41.9Very low31.4Very low129 Ų129134.2 Ų134.284%0.83874%0.739SS**  cis-104152.7-7.638.2-30.2000112
886H33.6Very low31.3Very low137 Ų137136.1 Ų136.163%0.63475%0.745SS**  cis76.498.33-142.23.4000119.3L888H886-L888 PolarHBondContact CE1-N 3.13Å; H886-L888 VanDerWaalsContact CE1-N 3.3Å; H886-L888 PolarHBondContact ND1-N 3.22Å
887M33.7Very low31.2Very low181 Ų181134.3 Ų134.389%0.89274%0.74SS**  trans-116.2114133.6-85.6-73.7-161.500104.4
888L30Very low31.2Very low101 Ų101128.8 Ų128.853%0.52971%0.713SS.*  53.7117.755.1-69.7-178.5000109H886H886-L888 PolarHBondContact CE1-N 3.13Å; H886-L888 VanDerWaalsContact CE1-N 3.3Å; H886-L888 PolarHBondContact ND1-N 3.22Å
889Q29Very low31.1Very low180 Ų180131.4 Ų131.484%0.84172%0.72SS**  cis-144.1163.231.3-70.9175.1-5.400109.7
890S29.5Very low31.1Very low78 Ų78127 Ų12755%0.54570%0.704SS.*  cis-169.9170.6-10.6-102.20000108.2
891L28.8Very low30.9Very low159 Ų159130.6 Ų130.683%0.83270%0.703SS**  trans35.7136139.9-60169.7000118.9
892D27.4Very low31Very low120 Ų120126 Ų12664%0.64269%0.694SS**  cis178151.67.2-173.929000102.4
893L31.9Very low30.5Very low123 Ų123127.1 Ų127.164%0.64469%0.693SS**  -163.7127.470.4-105.988.9000110.2R895L893-R895 HydrophobicContact CD2-CB 4.33Å; L893-R895 PolarHBondContact O-N 2.89Å
894S26.8Very low30.5Very low111 Ų111125.4 Ų125.478%0.77670%0.695SS**  trans-89.381.7151.9590000110.1
895R30.9Very low30.4Very low207 Ų207126.1 Ų126.178%0.78170%0.695SS**  trans-168.4115.9163.7-101.7143.2-171.2-173.72107.4L893L893-R895 HydrophobicContact CD2-CB 4.33Å; L893-R895 PolarHBondContact O-N 2.89Å
896F26.7Very low29.9Very low206 Ų206126.5 Ų126.590%0.90469%0.694SS**  59.4122.752.1-127.6-72000112.7
897G28.4Very low29.8Very low51 Ų51123.8 Ų123.853%0.52670%0.696SS.*  trans22.1118.7162.200000118.9Q945G897-Q945 WeakPolarHBondContact CA-O 3.03Å
898M28.3Very low29.6Very low56 Ų56122.6 Ų122.628%0.27669%0.693SS.*  trans-62.3155.3159.7-126.7-148.8-22.200111.2Q945 T946 L947 Q948M898-Q945 PolarHBondContact N-O 2.68Å; M898-Q945 VanDerWaalsContact N-O 3.14Å; M898-T946 VanDerWaalsContact CB-O 3.24Å; M898-T946 WeakPolarHBondContact CB-O 3.49Å; M898-T946 HydrophobicContact CE-CG2 4.1Å; M898-T946 VanDerWaalsContact CG-O 3.28Å; M898-T946 WeakPolarHBondContact CG-O 3.31Å; M898-L947 HydrophobicContact CG-CD2 4.17Å; M898-L947 HydrophobicContact CG-CG 4.2Å; M898-L947 HydrophobicContact SD-CD2 4.14Å; M898-Q948 HydrophobicContact CE-CB 3.84Å; M898-Q948 HydrophobicContact SD-CB 4.34Å
899L28Very low29.6Very low145 Ų145121.7 Ų121.776%0.75970%0.7SS**  trans-8.2139.1141.3-56176.4000116.3
900A28Very low29.6Very low60 Ų60118.6 Ų118.650%0.49669%0.694SS.*  cis-170.9170.7-7.700000109.8
901H29.3Very low29.6Very low179 Ų179123.3 Ų123.383%0.82971%0.712SS**  trans67.5155.1168.5-50.7-69.1000114.1
902S30.7Very low29.7Very low91 Ų91119.3 Ų119.364%0.63671%0.709SS**  cis-177.9146.4-12.641.30000105.5
903D31.1Very low29.9Very low144 Ų144118.3 Ų118.377%0.7771%0.711SS**  cis-153.5-172.7-5.8-90.5-33.6000107.7
904S30.5Very low29.9Very low113 Ų113118.7 Ų118.779%0.7971%0.714SS**  trans10.7145.8150.562.40000121.6
905A32.9Very low30.3Very low78 Ų78119.7 Ų119.765%0.64571%0.71SS**  cis-178.4174.4-8.900000108.4
906T31.5Very low30.5Very low136 Ų136115.2 Ų115.283%0.83470%0.701SS**  trans39.4135.114651.80000121.3
907A32Very low30.9Very low81 Ų81112.9 Ų112.967%0.66969%0.693SS**  cis-171.3170.9-3.900000110.5
908D28.8Very low31.2Very low156 Ų156115 Ų11583%0.83470%0.7SS**  trans73.5155.2144.1-121.7-37.8000120.3
909A30.7Very low32Very low82 Ų82117.9 Ų117.968%0.67872%0.722SS**  trans61.7161.1162.600000119
910T30.1Very low32.2Very low114 Ų114118.4 Ų118.470%0.69972%0.724SS**  cis-169.7129.1-29.6-90.50000107.7
911L28.6Very low32.3Very low178 Ų178122.2 Ų122.293%0.93274%0.736SS**  trans54.8-163.8171.2-60.7165.3000113.8
912G31.2Very low32.4Very low75 Ų75120.6 Ų120.677%0.77373%0.73SS**  trans11677.5177.300000113.5
913S31.6Very low32.2Very low98 Ų98123.6 Ų123.669%0.68573%0.734SS**  trans-70.4176.9178.2-41.30000113.9
914D31.3Very low32Very low131 Ų131122 Ų12270%0.70173%0.734SS**  trans77.5118.1140.2-62.4-20.3000119.8
915L36.3Very low31.9Very low133 Ų133121.7 Ų121.770%0.69673%0.731SS**  97.1146.292.6-72.8-176.9000110.3
916L34.3Very low31.6Very low113 Ų113124.1 Ų124.159%0.59274%0.744SS**  cis-150.1-176.80.5-114.5169.2000112.7
917H35.4Very low31.5Very low157 Ų157122.2 Ų122.273%0.72773%0.732SS**  trans-35141.4173.9-82.375.3000118.3
918S34.8Very low31.3Very low96 Ų96126 Ų12667%0.67174%0.741SS**  97.2-160.271-58.80000114.2
919P45.1Very low31.2Very low116 Ų116127.5 Ų127.575%0.75374%0.74SS**  -128.4168.5-90.738.9-24.9000116.8
920I31Very low31.3Very low155 Ų155128.8 Ų128.880%0.79574%0.742SS**  trans-165114.3154.1-99.9143.9000107.5
921L32.2Very low31.6Very low141 Ų141133.1 Ų133.174%0.73875%0.747SS**  65.4112.380.3-76.6177.1000116.2
922M29.7Very low31.9Very low144 Ų144130.6 Ų130.671%0.70974%0.741SS**  172.2129.9119.9-88.7-66.3103.800114.1
923H26.8Very low31.9Very low155 Ų155133.2 Ų133.272%0.71874%0.742SS**  trans39.6130.9151.4-72.6100.7000125.7
924S26.6Very low31.8Very low110 Ų110133.3 Ų133.377%0.76974%0.742SS**  trans62.995.6132.5-58.60000120.7
925S29.9Very low31.7Very low106 Ų106132.3 Ų132.374%0.74174%0.741SS**  trans-148.1142.7146.650.10000112.1
926S26.7Very low31.2Very low129 Ų129136.4 Ų136.490%0.90275%0.749SS**  trans-79.9118.8168.3-68.60000108.8
927V28.9Very low31Very low97 Ų97135.1 Ų135.159%0.58876%0.755SS**  trans-130.7106175.5-1460000110.8F929V927-F929 HydrophobicContact CB-CD2 4.36Å; V927-F929 HydrophobicContact CB-CE2 4.32Å; V927-F929 HydrophobicContact CG1-CD2 3.83Å; V927-F929 HydrophobicContact CG1-CE2 3.53Å
928N27.6Very low30.8Very low160 Ų160133.5 Ų133.586%0.85676%0.761SS**  trans-68.3133.8158-68-62.2000107.6
929F26Very low30.8Very low187 Ų187136.5 Ų136.582%0.8277%0.769SS**  trans-112.7144.6159.5-94.5-93.1000109.6V927V927-F929 HydrophobicContact CB-CD2 4.36Å; V927-F929 HydrophobicContact CB-CE2 4.32Å; V927-F929 HydrophobicContact CG1-CD2 3.83Å; V927-F929 HydrophobicContact CG1-CE2 3.53Å
930P32.7Very low30.5Very low109 Ų109137 Ų13771%0.70877%0.772SS**  trans-118.1177-138.139.9-29.1000114.5
931Y36.8Very low30.6Very low205 Ų205140.1 Ų140.180%0.80477%0.774SS**  trans-59.1161.9153.8-79.2-95000110.4
932P36Very low30.8Very low126 Ų126140.7 Ų140.782%0.81877%0.772SS**  -128.6146.7114.236-31.4000113.9
933V29.5Very low30.8Very low130 Ų130140 Ų14079%0.78877%0.771SS**  trans-109.2154153.9173.50000106.3
934S30.5Very low31Very low99 Ų99137.2 Ų137.269%0.69277%0.769SS**  trans92107.8171.8-155.30000118
935T28.6Very low31.3Very low111 Ų111138 Ų13868%0.68176%0.76SS**  36.8139.9119.6-2.70000123.1
936Y27Very low31.4Very low219 Ų219136.5 Ų136.586%0.85975%0.747SS**  trans74.1106.2161.3-78.1-76.6000120.8
937A30.3Very low31.4Very low86 Ų86137.5 Ų137.571%0.71174%0.741SS**  trans39.2114.6135.400000121.6
938S30.3Very low31.5Very low122 Ų122140.1 Ų140.185%0.85375%0.747SS**  -176.8161.8121.5-82.40000113
939L35.7Very low31.7Very low160 Ų160137.5 Ų137.584%0.83875%0.748SS**  trans-89.8157.9-176-68.276.2000113.8
940P37Very low31.9Very low126 Ų126132.3 Ų132.382%0.81875%0.747SS**  -112.7133.2129.134.4-27.4000109.9
941R33.9Very low31.9Very low221 Ų221131.6 Ų131.683%0.83475%0.75SS**  cis86.678.919.7-152-171.4-157.4-126.74.7117
942Q36Very low31.8Very low153 Ų153127.2 Ų127.272%0.71575%0.749SS**  trans-155.2118.3140.1-81.3-54.5-66.700106.2
943L31.1Very low32.1Very low129 Ų129127.1 Ų127.168%0.67575%0.749SS**  55.5117.994.7-83.4141.3000112.3
944S31.1Very low32.4Very low96 Ų96124.7 Ų124.767%0.67175%0.75SS**  cis-150.5167.925.6-75.60000110.7
945Q31.9Very low32.6Very low128 Ų128123.4 Ų123.460%0.59875%0.753SS**  cis-174.1167.4-15.9-100-160.879.100105.4G897 M898G897-Q945 WeakPolarHBondContact CA-O 3.03Å; M898-Q945 PolarHBondContact N-O 2.68Å; M898-Q945 VanDerWaalsContact N-O 3.14Å
946T31.5Very low32.7Very low74 Ų74126 Ų12645%0.45476%0.761SS.*  cis-164.9-170.5-10.6-89.70000104.7M898M898-T946 VanDerWaalsContact CB-O 3.24Å; M898-T946 WeakPolarHBondContact CB-O 3.49Å; M898-T946 HydrophobicContact CE-CG2 4.1Å; M898-T946 VanDerWaalsContact CG-O 3.28Å; M898-T946 WeakPolarHBondContact CG-O 3.31Å
947L27.2Very low32.9Very low150 Ų150119.8 Ų119.879%0.78576%0.756SS**  trans-150.4138.3164.6-118.8171.5000110.2M898M898-L947 HydrophobicContact CG-CD2 4.17Å; M898-L947 HydrophobicContact CG-CG 4.2Å; M898-L947 HydrophobicContact SD-CD2 4.14Å
948Q32Very low32.8Very low152 Ų152124.1 Ų124.171%0.7176%0.758SS**  trans-140.1124.7-170.1-167.8165.918.200116.3M898M898-Q948 HydrophobicContact CE-CB 3.84Å; M898-Q948 HydrophobicContact SD-CB 4.34Å
949A31.9Very low32.8Very low105 Ų105125.1 Ų125.187%0.86875%0.753SS**  trans64.4138.2157.900000120
950G30.1Very low32.5Very low78 Ų78122.1 Ų122.180%0.80475%0.745SS**  trans-17924.5-178.300000119.4
951A32.4Very low32.1Very low93 Ų93124.4 Ų124.477%0.76975%0.745SS**  trans60.3117.9163.100000121.5
952S33.8Very low31.9Very low114 Ų114119.7 Ų119.780%0.79774%0.741SS**  49.1161115.1-64.50000123.7
953P43.6Very low31.5Very low123 Ų123116.8 Ų116.880%0.79974%0.743SS**  cis-145.8169.8-34.139.3-22.3000116.3
954G35.3Very low31.4Very low80 Ų80115.9 Ų115.983%0.82575%0.748SS**  trans94.5168.3132.400000120.1
955G34Very low31.3Very low72 Ų72116 Ų11674%0.74276%0.755SS**  trans95.649172.300000116
956L31.8Very low31.2Very low165 Ų165113.3 Ų113.386%0.86476%0.761SS**  72.3147.887.4-87.5174.1000117
957A31.4Very low31.3Very low89 Ų89118.1 Ų118.174%0.73678%0.783SS**  trans78.5136.5154.600000119.9
958F26.6Very low31.4Very low176 Ų176118.1 Ų118.177%0.77278%0.783SS**  cis-168.1159.1-26-145.9-126.6000109.2
959I30.5Very low31.7Very low143 Ų143116.4 Ų116.473%0.73379%0.785SS**  trans52.8155.9163.453.4170.6000120.9
960S28.9Very low31.5Very low98 Ų98115.4 Ų115.469%0.68578%0.777SS**  cis-178.8-174.1-38.3-99.30000108.2
961E29.4Very low31.6Very low173 Ų173117.5 Ų117.581%0.80877%0.774SS**  trans71.894162.4-62.1-175.791.400115.4
962T29.7Very low31.6Very low122 Ų122124 Ų12475%0.74878%0.778SS**  cis83133.546.8740000115.5
963A28.3Very low31.4Very low92 Ų92123 Ų12376%0.7677%0.772SS**  trans67.1154.5160.100000115.2
964S28.4Very low31.2Very low110 Ų110124.9 Ų124.977%0.76977%0.774SS**  cis-146.3178.518.7-59.50000111.7
965A29.2Very low30.8Very low99 Ų99127.9 Ų127.982%0.81877%0.771SS**  trans26.2116.315300000118.4
966G28.9Very low30.6Very low71 Ų71133.3 Ų133.373%0.73278%0.777SS**  cis81119.319.500000112.3
967L34.3Very low30.4Very low176 Ų176130.9 Ų130.992%0.92177%0.774SS**  trans-168.2126.8156.8-107.6167000110
968L28.4Very low30.3Very low149 Ų149133 Ų13378%0.7878%0.777SS**  trans-79.1151.6164.8-67.3165.6000108.8A970L968-A970 HydrophobicContact CB-CB 4.19Å
969P39.2Very low30.3Very low116 Ų116131.5 Ų131.575%0.75378%0.777SS**  -131.5142.492.936.3-27.7000112.4
970A27.6Very low30.2Very low84 Ų84133.2 Ų133.269%0.69478%0.779SS**  cis70.562.529.600000115.2L968L968-A970 HydrophobicContact CB-CB 4.19Å
971V32.3Very low30.4Very low122 Ų122133.1 Ų133.174%0.73978%0.779SS**  trans-127.389.4161.9-169.50000111.7
972R32.2Very low30.9Very low230 Ų230128.6 Ų128.687%0.86876%0.764SS**  trans52.1110.8143.3-65.2-178.2168.3121.1-0.2120.7
973S30Very low31Very low94 Ų94127.7 Ų127.766%0.65776%0.758SS**  59.2119107.3-156.70000117.8
974L37.9Very low31.5Very low162 Ų162125.6 Ų125.685%0.84875%0.745SS**  -138.5158.961.5-121.690.3000114.9
975N28.5Very low32.1Very low142 Ų142128.1 Ų128.176%0.75975%0.749SS**  trans-88.7143.9174.5-54.3-63.5000111.5
976Q28.5Very low32.1Very low186 Ų186129.8 Ų129.887%0.86975%0.745SS**  -161.3148.4112.3-117.9179.70.600112.5
977S28.5Very low32.1Very low115 Ų115133 Ų13380%0.80474%0.742SS**  trans-142123.6178.148.60000109.1
978V28.1Very low31.8Very low132 Ų132130.5 Ų130.580%0.873%0.729SS**  trans-142.1140.1173.4-169.90000109.3
979L28.5Very low31.7Very low145 Ų145129.4 Ų129.476%0.75972%0.72SS**  trans-125.3146.2173.8-102.8165.1000108.3
980F28.4Very low31.1Very low180 Ų180133.2 Ų133.279%0.78972%0.719SS**  trans71.2131.5161.8-80.5-68.3000121.6
981S32.1Very low31.1Very low96 Ų96136.1 Ų136.167%0.67172%0.723SS**  trans82.2-172.4140.2-51.60000117.9
982P40.4Very low30.9Very low77 Ų77133.5 Ų133.550%0.572%0.715SS.*  -142.4-161.9-10244.3-23000115.1
983V30.7Very low30.8Very low104 Ų104126.9 Ų126.963%0.6370%0.7SS**  trans64.6103.2159.5178.10000116.6E1178V983-E1178 VanDerWaalsContact CA-OE1 3.24Å; V983-E1178 WeakPolarHBondContact CA-OE1 3.21Å; V983-E1178 PolarHBondContact N-OE1 2.89Å; V983-E1178 PolarHBondContact N-OE2 3.47Å
984G39.3Very low30.8Very low47 Ų47127.5 Ų127.549%0.48569%0.688SS.*  64.5147.8103.300000122.3E1178G984-E1178 PolarHBondContact N-OE1 3.01Å
985L42Very low30.5Very low163 Ų163125 Ų12585%0.85367%0.67SS**  trans56.6101.6160.4-88.6167.8000119.2
986D28Very low30.6Very low135 Ų135123.9 Ų123.972%0.72266%0.664SS**  -131.8121.7128.4-125.4-110.5000104.4
987M29.2Very low30.7Very low139 Ų139120.1 Ų120.169%0.68565%0.649SS**  63.4136.281-71.8-179.853.500112.2
988L28.1Very low30.8Very low122 Ų122121.1 Ų121.164%0.63965%0.646SS**  cis-154145.741.2-119.5128.6000113.7
989Q27.3Very low31.4Very low126 Ų126119.8 Ų119.859%0.58964%0.64SS**  trans83.9121.9137-138.462.3-39.800122.7
990R26.5Very low31.5Very low196 Ų196118 Ų11874%0.7464%0.639SS**  trans75.294.4155.7-75155.8-162.3143.12.4119.6
991N26.7Very low31.5Very low145 Ų145115 Ų11578%0.77564%0.641SS**  71.1100.8119.1-62.87.9000119.8
992A29Very low31.3Very low68 Ų68114.5 Ų114.556%0.56264%0.643SS**  72158.7126.800000119.2
993T30.3Very low30.6Very low91 Ų91116.9 Ų116.956%0.55866%0.66SS**  trans67.6134.1151.544.50000116.9E594E594-T993 WeakPolarHBondContact O-CG2 3.48Å
994R29.2Very low30.5Very low106 Ų106117.8 Ų117.840%0.467%0.665SS.*  cis-154.4153.72.5-46.5-174.2101.5-156.8-13.2111.7Y592 D593 E594Y592-R994 WeakPolarHBondContact O-CD 3.26Å; D593-R994 VanDerWaalsContact CA-CZ 3.47Å; D593-R994 VanDerWaalsContact CG-NH2 3.31Å; D593-R994 IonicContact OD1-CZ 2.79Å; D593-R994 IonicContact OD1-NH1 3.25Å; D593-R994 PolarHBondContact OD1-NH1 2.83Å; D593-R994 IonicContact OD1-NH2 3.17Å; D593-R994 IonicContact OD2-CZ 3.83Å; D593-R994 VanDerWaalsContact OD2-CZ 3.25Å; D593-R994 IonicContact OD2-NH1 2.78Å; D593-R994 PolarHBondContact OD2-NH1 3.07Å; D593-R994 IonicContact OD2-NH2 2.71Å; D593-R994 PolarHBondContact OD2-NH2 3.3Å; E594-R994 PolarHBondContact O-NE 3.06Å; E594-R994 PolarHBondContact O-NH2 3Å; E594-R994 WeakPolarHBondContact OE2-CA 3.46Å
995F31.5Very low30.6Very low110 Ų110120.5 Ų120.548%0.48267%0.674SS.*  trans38.8139.3151.5-94.114.2000122.6Y592 D593 E594Y592-F995 VanDerWaalsContact CA-CB 3.46Å; Y592-F995 VanDerWaalsContact CD1-O 3.32Å; Y592-F995 WeakPolarHBondContact CD1-O 3.26Å; D593-F995 HydrophobicContact CB-CD2 4.22Å; D593-F995 HydrophobicContact CB-CE2 4.01Å; D593-F995 VanDerWaalsContact N-CG 3.28Å; D593-F995 VanDerWaalsContact O-CE1 3.25Å; D593-F995 WeakPolarHBondContact O-CE1 3.24Å; D593-F995 WeakPolarHBondContact O-CE2 3.33Å; D593-F995 WeakPolarHBondContact O-CZ 3.48Å; E594-F995 HydrophobicContact CB-CD1 3.55Å; E594-F995 HydrophobicContact CB-CE1 3.51Å; E594-F995 HydrophobicContact CB-CG 4.5Å; E594-F995 HydrophobicContact CB-CZ 4.43Å; E594-F995 HydrophobicContact CG-CD1 4.42Å; E594-F995 PolarHBondContact OE2-N 3.2Å
996D29.5Very low30.3Very low119 Ų119118.6 Ų118.664%0.63667%0.672SS**  16.9114.3122.2-141.1-20.8000121.9Y592Y592-D996 VanDerWaalsContact CD1-O 3.23Å; Y592-D996 WeakPolarHBondContact CD1-O 3.23Å
997L32.1Very low30.4Very low106 Ų106121.1 Ų121.156%0.55568%0.679SS**  168168.7114.6-86.6169.1000116.7P590 Y592P590-L997 HydrophobicContact CB-CB 4.41Å; P590-L997 HydrophobicContact CB-CD1 3.42Å; P590-L997 VanDerWaalsContact CB-CD1 3.42Å; Y592-L997 HydrophobicContact CE1-CB 4.44Å
998N30.7Very low30.9Very low136 Ų136118.1 Ų118.173%0.72768%0.683SS**  trans-87.9177.9-176.4-144.46.6000111.8
999P40.4Very low31.5Very low105 Ų105117.4 Ų117.468%0.68269%0.686SS**  cis-140.5-156.4-4.345.9-25000115.7
1000S29.7Very low31.6Very low106 Ų106118.9 Ų118.974%0.74170%0.698SS**  trans-34.7152.1177.3-47.30000122.2
1001S29.7Very low32Very low117 Ų117117 Ų11782%0.81870%0.701SS**  trans117.5137.2133.275.60000120.4
1002A26.5Very low32.5Very low87 Ų87115.1 Ų115.172%0.71970%0.699SS**  trans68.4124.9156.300000122.5
1003C25.3Very low33Very low126 Ų126117.7 Ų117.785%0.85171%0.71SS**  trans65.3149.7150.6-61.60000118.7
1004V30.4Very low33Very low124 Ų124120 Ų12075%0.75272%0.718SS**  cis-154.3155.3-7.5117.70000108.1
1005P40.2Very low33.3Very low103 Ų103120.8 Ų120.867%0.66974%0.735SS**  trans-91.5156.2-169.935.8-37000116.1
1006P35Very low33.3Very low124 Ų124119.9 Ų119.981%0.80574%0.738SS**  trans-114.5122.7147.134.1-23.2000110
1007Q30.2Very low33.3Very low188 Ų188120.3 Ų120.388%0.87975%0.745SS**  72.464.356.9-62.6-150.214.600117
1008G40.7Very low33.8Very low75 Ų75119.9 Ų119.977%0.77375%0.752SS**  trans66-158.3144.500000118
1009P39.9Very low34Very low108 Ų108121.9 Ų121.970%0.70176%0.756SS**  cis-138.4158.8-2.841.9-25.7000117
1010L30Very low34Very low157 Ų157119.7 Ų119.782%0.82275%0.753SS**  trans66.3162.6155.3-61.3159000116.9
1011L35.6Very low34.7Very low157 Ų157122.3 Ų122.382%0.82275%0.754SS**  cis-130.9157.913-76162.7000113
1012S36.6Very low34.8Very low104 Ų104122.7 Ų122.773%0.72775%0.746SS**  trans-96.6172165.7-48.10000111.5
1013P39.3Very low35.2Very low122 Ų122125.1 Ų125.179%0.79274%0.74SS**  -122.6145.594.7-2.424.1000113.2
1014L30.8Very low35.5Very low139 Ų139129 Ų12973%0.72874%0.738SS**  72.5124.175.8-145.675.4000111T1016L1014-T1016 HydrophobicContact CD1-CG2 3.81Å; L1014-T1016 HydrophobicContact CG-CG2 4.08Å
1015V35.6Very low35.5Very low123 Ų123129.3 Ų129.375%0.74574%0.735SS**  -159.1102.563.7159.80000108.1
1016T30.4Very low35.4Very low91 Ų91130.3 Ų130.356%0.55874%0.742SS**  82.7126.789.768.70000117.9L1014L1014-T1016 HydrophobicContact CD1-CG2 3.81Å; L1014-T1016 HydrophobicContact CG-CG2 4.08Å
1017T30.8Very low35.2Very low128 Ų128129.3 Ų129.379%0.78574%0.744SS**  trans69.2152142.353.40000119.9
1018S42Very low34.9Very low98 Ų98129.8 Ų129.869%0.68574%0.743SS**  cis-141142.114.155.60000114.6
1019E35.9Very low34.2Very low177 Ų177133.4 Ų133.483%0.82774%0.744SS**  trans42.5128.4133.3-48.1-52.49400120.6
1020G40.1Very low33.8Very low60 Ų60133.7 Ų133.762%0.61975%0.749SS**  cis176.2-166.31.600000114.1
1021E42.9Very low34.1Very low160 Ų160131.5 Ų131.575%0.74874%0.744SS**  trans60.586.5173-161.3167.6-176.200115.9K1023E1021-K1023 HydrophobicContact CG-CD 4.22Å; E1021-K1023 IonicContact OE1-NZ 2.69Å; E1021-K1023 PolarHBondContact OE1-NZ 3.19Å
1022L33Very low33.7Very low125 Ų125135.4 Ų135.465%0.65475%0.748SS**  cis78.478.29.4-137.3-177000117L1025L1022-L1025 HydrophobicContact CD2-CD1 3.63Å; L1022-L1025 HydrophobicContact CD2-CD2 4.21Å; L1022-L1025 HydrophobicContact CD2-CG 3.78Å
1023K33.9Very low33.3Very low139 Ų139134.7 Ų134.760%0.60475%0.748SS**  trans-152.2147.3148.8-65.2101.2177.3-157.90107.5E1021E1021-K1023 HydrophobicContact CG-CD 4.22Å; E1021-K1023 IonicContact OE1-NZ 2.69Å; E1021-K1023 PolarHBondContact OE1-NZ 3.19Å
1024Y32.7Very low32.9Very low207 Ų207135 Ų13581%0.81275%0.748SS**  cis-120.2153.2-29.5-80.6-85.7000105.7
1025L29.9Very low32.8Very low130 Ų130133.8 Ų133.868%0.68175%0.751SS**  cis78.1142.328.5-57.5-169.6000116.3L1022L1022-L1025 HydrophobicContact CD2-CD1 3.63Å; L1022-L1025 HydrophobicContact CD2-CD2 4.21Å; L1022-L1025 HydrophobicContact CD2-CG 3.78Å
1026P37.8Very low32.6Very low125 Ų125131.6 Ų131.681%0.81274%0.742SS**  trans-108.7169.3-16841.5-34.6000114.2
1027A30.7Very low32.7Very low103 Ų103138.4 Ų138.485%0.85176%0.759SS**  trans-142.8122.5171.900000113.7
1028F23.5Very low32.9Very low197 Ų197135.2 Ų135.286%0.86475%0.751SS**  trans-102.9156156.5-127.1-98.7000107.1
1029L26.8Very low32.5Very low151 Ų151136 Ų13679%0.79176%0.757SS**  trans70.6108168.1-54.2165.2000118.7
1030S31.2Very low32.7Very low114 Ų114132.5 Ų132.580%0.79775%0.749SS**  64.3155.1128.3-70.30000120.7
1031P35.8Very low32.3Very low112 Ų112137 Ų13773%0.72776%0.758SS**  cis-144.7168.325.344.7-26.4000119.5
1032R27.5Very low32.1Very low239 Ų239135.3 Ų135.390%0.90276%0.761SS**  trans88141.8138.7-137.6170.1-173156.70.4120.1
1033A29.6Very low32Very low88 Ų88133.2 Ų133.273%0.72777%0.77SS**  trans67.9116160.800000117.7
1034T29.2Very low31.9Very low129 Ų129132.2 Ų132.279%0.79178%0.78SS**  cis-152.4148.3-5.148.70000111.8
1035S30.4Very low31.9Very low114 Ų114126.2 Ų126.280%0.79777%0.774SS**  trans66.4149.4149.8-1290000119.8
1036S30.3Very low31.8Very low77 Ų77127.2 Ų127.254%0.53877%0.773SS.*  -175.6151.4-6348.40000108.7
1037Y32.7Very low31.4Very low234 Ų234126.3 Ų126.392%0.91877%0.769SS**  trans62.3144.1176.3-53-80.5000115.7
1038G35.4Very low31.4Very low61 Ų61124.8 Ų124.863%0.62976%0.757SS**  cis-173.2125.5-700000112.3
1039S32.8Very low31.5Very low115 Ų115124.7 Ų124.780%0.80476%0.756SS**  20.2153.8112.3-52.60000119.9
1040P40Very low31.7Very low102 Ų102122.7 Ų122.766%0.66276%0.755SS**  cis-151.5-164.8-33.743.1-25000113.9
1041L32Very low31.6Very low156 Ų156121.7 Ų121.782%0.81775%0.747SS**  trans68.2172.3153.6-66.2175.9000116
1042P38.9Very low31.4Very low123 Ų123125.6 Ų125.680%0.79975%0.748SS**  -133.9176.2-82.337.7-18.3000113.6
1043G31.2Very low31.4Very low82 Ų82119.8 Ų119.885%0.84573%0.729SS**  trans-170.2128.3170.900000113.1
1044S32.2Very low31.5Very low117 Ų117123 Ų12382%0.81873%0.731SS**  trans-93.7154.3-179.353.10000112.8
1045A31.8Very low32Very low82 Ų82119.4 Ų119.468%0.67871%0.71SS**  trans38.1130.3150.700000120.2
1046F27.6Very low31.9Very low151 Ų151118.1 Ų118.166%0.66270%0.697SS**  -160.6161.495.4-125.3-100.8000113.7V587V587-F1046 HydrophobicContact CB-CE2 4.26Å; V587-F1046 HydrophobicContact CG1-CE2 4.48Å; V587-F1046 HydrophobicContact CG2-CD2 4.42Å; V587-F1046 HydrophobicContact CG2-CE2 3.9Å
1047S30.7Very low31.8Very low105 Ų105119.4 Ų119.473%0.73471%0.706SS**  trans-81.9141.8169.3174.60000110.9
1048A29Very low31.7Very low71 Ų71111.9 Ų111.959%0.58769%0.692SS**  171.7142.2119.100000114.7
1049K27.2Very low31.3Very low196 Ų196117 Ų11785%0.85270%0.7SS**  trans49.2117142.5-59.2162.9-171.5170.70118.1
1050S30.6Very low31Very low109 Ų109117.8 Ų117.876%0.76270%0.699SS**  61.283.262.3-176.90000115.8
1051S28.8Very low30.8Very low92 Ų92115.9 Ų115.964%0.64370%0.698SS**  -156.9117.7117.4-153.80000106.7
1052R31.5Very low31.1Very low195 Ų195114.1 Ų114.174%0.73670%0.696SS**  54.2115.564.8-174.3-165-61.2-169.42.7111.3
1053F28.5Very low30.7Very low117 Ų117115.6 Ų115.651%0.51370%0.697SS.*  -166.2176.2118.7-91.6-60.2000110.2L1374F1053-L1374 HydrophobicContact CB-CB 3.85Å; F1053-L1374 WeakPolarHBondContact CB-O 3.34Å; F1053-L1374 HydrophobicContact CD1-CB 4.32Å; F1053-L1374 WeakPolarHBondContact CD1-O 3.17Å; F1053-L1374 HydrophobicContact CD2-CB 3.34Å; F1053-L1374 HydrophobicContact CD2-CD2 3.82Å; F1053-L1374 HydrophobicContact CD2-CG 4.22Å; F1053-L1374 HydrophobicContact CE2-CB 3.95Å; F1053-L1374 HydrophobicContact CG-CB 3.58Å; F1053-L1374 WeakPolarHBondContact CG-O 3.41Å
1054M31.3Very low30.8Very low155 Ų155115 Ų11576%0.76469%0.692SS**  trans-138.3-91.9-142.8-173.5-175.4166.800120.4
1055P39.6Very low30.7Very low53 Ų53112.7 Ų112.734%0.34469%0.686SS.*  trans-72.9-164.7-175-21.438.6000115.3V1375 D1376P1055-V1375 VanDerWaalsContact CD-CG1 3.49Å; P1055-V1375 CarbonylContact O-C 3.2Å; P1055-D1376 PolarHBondContact O-N 2.91Å
1056V28.4Very low31Very low88 Ų88118.6 Ų118.653%0.53370%0.696SS.*  cis-151.3143.224.995.60000108.6V1375V1056-V1375 HydrophobicContact CB-CG2 4.26Å
1057S28.6Very low31.2Very low103 Ų103119.7 Ų119.772%0.7270%0.704SS**  62.7147.977.7-35.10000114.8
1058A28.7Very low31.6Very low76 Ų76119.1 Ų119.163%0.62870%0.697SS**  cis-154.1168.58.100000112
1059E27Very low31.5Very low169 Ų169120.3 Ų120.379%0.7970%0.701SS**  trans56.1170166.4-38.2-5185.600117.3
1060V28.2Very low31.7Very low132 Ų132120.2 Ų120.280%0.870%0.701SS**  cis-129.4151.9-3.1-165.80000104.6
1061G35.5Very low31.8Very low61 Ų61119.4 Ų119.463%0.62970%0.701SS**  cis74.8165.748.300000112
1062P37.1Very low32.6Very low120 Ų120120.4 Ų120.478%0.77971%0.705SS**  cis-89.8-118.1-15.916.26.4000108.8
1063D30.5Very low32.7Very low153 Ų153118.4 Ų118.482%0.81871%0.708SS**  cis-162165-10.6-157.90.9000111.4
1064G33.3Very low32.9Very low71 Ų71119 Ų11973%0.73272%0.72SS**  trans71.3126.4160.200000117.9
1065G31.4Very low33.1Very low68 Ų68115.5 Ų115.570%0.70172%0.716SS**  cis129.6134.2-1.200000112.6
1066K37.4Very low32.8Very low205 Ų205120 Ų12089%0.89173%0.734SS**  trans75.1125.9-179.2-49.3166.4-175.5174.60113.6
1067Q31.4Very low33Very low175 Ų175125.2 Ų125.282%0.81875%0.75SS**  cis67.4143.349.7-66.6-106.2-6.200114.1
1068P38.7Very low33.1Very low93 Ų93124.1 Ų124.160%0.60475%0.747SS**  cis-147.7173.7-35.440.5-23.1000116.6
1069S27.9Very low33.3Very low96 Ų96128.6 Ų128.667%0.67176%0.755SS**  trans76.2145.9143.480.60000123.1
1070K31Very low33.4Very low193 Ų193126.2 Ų126.284%0.83975%0.752SS**  trans65.2127160-62.4165.1-1771770116.8
1071A33.2Very low33.6Very low92 Ų92124.8 Ų124.876%0.7675%0.747SS**  cis77154.834.800000114.4
1072P45.4Very low33.4Very low114 Ų114127 Ų12774%0.7475%0.753SS**  cis-132.9-136.9-14.134.7-11.4000112.3
1073I32.8Very low33.5Very low153 Ų153126.2 Ų126.279%0.78575%0.748SS**  trans87.3137.2165.4-57.7165.7000116.5
1074V34.6Very low33.6Very low129 Ų129125.7 Ų125.778%0.78275%0.745SS**  cis-172.2160.4-39.5120.70000109.8
1075A33.7Very low33.3Very low82 Ų82131 Ų13168%0.67875%0.749SS**  trans71.4152.9162.800000119.6
1076M33.6Very low33.4Very low147 Ų147136.7 Ų136.772%0.72476%0.757SS**  cis-165.4153-22.2-111.3-166.7-174.700112
1077K32.9Very low32.9Very low197 Ų197137.8 Ų137.886%0.85776%0.756SS**  trans77.2139.6147.7-136.7172.1-173.4175.70121.6
1078A31.7Very low33.3Very low80 Ų80133.9 Ų133.966%0.66175%0.745SS**  trans65.4149.2154.200000119.2
1079E31.8Very low32.8Very low171 Ų171138.4 Ų138.480%0.79976%0.758SS**  cis-157.5148.3-13.7-117.6178.8133.100111.7
1080V29.8Very low32.9Very low119 Ų119137.6 Ų137.672%0.72176%0.758SS**  trans48.6142.1137170.10000123.1
1081S32.9Very low32.8Very low101 Ų101133.7 Ų133.771%0.70675%0.754SS**  trans78.9103.1160.7-73.30000121.7
1082S30Very low32.8Very low107 Ų107136.4 Ų136.475%0.74876%0.756SS**  32.3156.195-53.80000121.1
1083P40.4Very low32Very low104 Ų104137.3 Ų137.368%0.67575%0.754SS**  cis-142-149-31.739-17.8000111.9
1084N31.8Very low31.9Very low142 Ų142134.8 Ų134.876%0.75975%0.75SS**  trans75.2133.9164.7-63.2-15.6000117.2
1085F27.5Very low31.7Very low184 Ų184134.4 Ų134.481%0.80775%0.748SS**  cis87.491.637.3-169.7-77.6000112.2
1086E32.8Very low31.5Very low186 Ų186135 Ų13587%0.86974%0.743SS**  -160.3-166.7121.7-126.1-179.8107.600112.7
1087R28.1Very low31.3Very low229 Ų229136.5 Ų136.586%0.86475%0.746SS**  trans-131.9-148.9-154.6-147.8-168-171.6-138.31113.8
1088P38.4Very low31.4Very low93 Ų93133 Ų13360%0.60474%0.736SS**  trans-115.1-157.4-13143.4-25.8000113.9
1089Q29.5Very low31.3Very low187 Ų187137.7 Ų137.787%0.87474%0.742SS**  trans87.3154.9177.3-57.3-173.2-14.500114.4
1090A28.5Very low31.2Very low80 Ų80133.5 Ų133.566%0.66173%0.731SS**  cis-172.1-177.1-28.900000107.2
1091S30.5Very low31.3Very low110 Ų110132.9 Ų132.977%0.76973%0.732SS**  trans63.7139.4-179.1550000114.1
1092L32Very low31.1Very low150 Ų150134.7 Ų134.779%0.78573%0.734SS**  cis66.7132.245.2-55.5171.8000111
1093D28.4Very low31Very low133 Ų133136.3 Ų136.371%0.71173%0.733SS**  cis-146.1137.913.2-112.8-42.6000114.2
1094S30.6Very low30.7Very low100 Ų100134.7 Ų134.770%0.69974%0.735SS**  58.3172.7123.9-149.30000123.6
1095V31.1Very low30.6Very low120 Ų120133.3 Ų133.373%0.72773%0.732SS**  trans56.5113.2162.7-125.20000120.2
1096T29.8Very low30.8Very low95 Ų95131.9 Ų131.958%0.58373%0.728SS**  147.2160.199.9-43.30000112.7
1097F30Very low30.7Very low179 Ų179128.9 Ų128.979%0.78571%0.714SS**  trans88.3131.4160.2-59.5-77.7000119.5
1098L33.3Very low30.8Very low123 Ų123122.4 Ų122.464%0.64470%0.703SS**  cis-171.9170.2-39.5-116.2-169.1000108.7
1099F29.4Very low30.7Very low178 Ų178124.7 Ų124.778%0.78170%0.704SS**  trans67.9150.7161.6-83.4-143.6000115.7
1100S31Very low30.8Very low83 Ų83126.9 Ų126.958%0.5870%0.704SS**  cis-159.5156.7-9.9-1230000113.1
1101S31.2Very low31Very low107 Ų107126.7 Ų126.775%0.74870%0.703SS**  34.1151.1128.9-57.60000122.8
1102N27.9Very low31.2Very low138 Ų138130.7 Ų130.774%0.73871%0.712SS**  cis-177.5-178.7-14.5-168.21.7000107.8
1103I28.8Very low31.4Very low141 Ų141127 Ų12772%0.72371%0.71SS**  trans75.8102.1156-59.4149000118.6
1104G33.3Very low31.7Very low70 Ų70126.6 Ų126.672%0.72271%0.712SS**  85.8173.2115.700000120
1105T29.5Very low32Very low113 Ų113127.7 Ų127.769%0.69371%0.714SS**  cis-163.9159.9-15.8-15.30000111
1106Q31.7Very low32.1Very low155 Ų155128.7 Ų128.772%0.72472%0.715SS**  trans67.2161.1158.3-63.2179.957.900117.1
1107Q31.4Very low32.5Very low123 Ų123127.9 Ų127.958%0.57572%0.718SS**  cis-147.8133.8-23.7-110.8-172.272.300106
1108S30.9Very low32.8Very low92 Ų92124.1 Ų124.164%0.64371%0.714SS**  61108.279.5-159.70000115.5
1109K35.7Very low33Very low142 Ų142125.6 Ų125.662%0.61772%0.722SS**  163.2132.3114.9-90144.9-169.4164.10115.4
1110R31.9Very low34Very low232 Ų232122.1 Ų122.188%0.87572%0.717SS**  trans68.8153.4136.3-70.7-179.3173.5171.8-3.6119
1111A33.1Very low34.3Very low76 Ų76124.7 Ų124.763%0.62873%0.729SS**  cis-170.9152.5-13.400000112.9
1112M34Very low34.6Very low195 Ų195122.5 Ų122.596%0.96172%0.723SS**  trans65.1150.4158.5-49.4-101-89.900115.6
1113G35.7Very low35Very low72 Ų72123.1 Ų123.174%0.74273%0.726SS**  cis172-174.30.700000108.8
1114V35.5Very low35.4Very low125 Ų125120.7 Ų120.776%0.75872%0.722SS**  cis-169.3145.9-11.784.90000109.9
1115V36.4Very low35.5Very low122 Ų122125.5 Ų125.574%0.73973%0.731SS**  trans58.3163.1166.6-460000120.4
1116D34.4Very low35.6Very low141 Ų141123.1 Ų123.175%0.75473%0.729SS**  cis-155.6167.2-0.7-140.1-32.6000114.5
1117A37.7Very low35.7Very low79 Ų79127.8 Ų127.865%0.65374%0.74SS**  trans61.1155.9149.900000121.6
1118S37Very low35.9Very low99 Ų99131.3 Ų131.369%0.69275%0.753SS**  cis-177.7155.6-19.1-94.30000110.5
1119L36.7Very low36.5Very low154 Ų154131.8 Ų131.881%0.80675%0.754SS**  cis-151.8-75.6-21.2-121.9175000115.9
1120P49.3Very low36.2Very low105 Ų105129.6 Ų129.668%0.68276%0.757SS**  trans-141.7171.4-135.244.5-27.4000123.1
1121V38.2Very low36.1Very low138 Ų138127.1 Ų127.184%0.83676%0.755SS**  trans77.2133.9159.1-154.70000119.4
1122G38.2Very low36Very low60 Ų60132 Ų13262%0.61977%0.765SS**  cis154.3155.1-12.200000116
1123D36.3Very low37.1Very low152 Ų152128 Ų12881%0.81375%0.753SS**  trans61.3156.4152.7-68.1-73.4000122.6
1124S36.4Very low37.8Very low89 Ų89130 Ų13062%0.62275%0.754SS**  cis-172.2162.7-30.5-98.70000111.7
1125D34.7Very low37.5Very low171 Ų171133.2 Ų133.291%0.91476%0.758SS**  trans57.5157.2162.6-70.7-47.2000120.9
1126G33Very low37.2Very low63 Ų63133.7 Ų133.765%0.64976%0.756SS**  cis169.5168.3-9.400000114.7
1127R33.1Very low37.1Very low254 Ų254131.8 Ų131.896%0.95875%0.754SS**  trans74.8126162.4-59-172.9178.1-151.9-0.3123.8
1128K35.2Very low36.7Very low197 Ų197132.7 Ų132.786%0.85776%0.761SS**  trans-34.6179.3145.9-102.1-178.8176.7-1750117.8
1129P44.9Very low36.4Very low101 Ų101139.4 Ų139.466%0.65677%0.772SS**  cis-142.6-169.1-5.329.9-4.4000116.6
1130S29.4Very low36.4Very low96 Ų96136.9 Ų136.967%0.67177%0.766SS**  trans65.6158.2143.551.40000120.2
1131E28.7Very low36.3Very low181 Ų181136.3 Ų136.385%0.84676%0.763SS**  cis-149.1-151.40.3-136.9165.6115.900114.3
1132Q31.9Very low35.9Very low177 Ų177133.7 Ų133.783%0.82776%0.756SS**  trans-94169.2-160.8-89.4-173.3-64.600117.9
1133P57.2Low35.6Very low112 Ų112133.6 Ų133.673%0.72775%0.749SS**  trans-91.6179.7-175.339.2-38.7000114.3
1134P48.9Very low35.4Very low115 Ų115130.9 Ų130.975%0.74774%0.738SS**  -149.2166.4121.741-26.3000117.2
1135F31Very low35.2Very low192 Ų192132.7 Ų132.784%0.84275%0.745SS**  trans22.8154.4143.9-84.3-102.1000125.6
1136D29.9Very low34.9Very low131 Ų131127.8 Ų127.870%0.70174%0.735SS**  trans105.4109.8138-95.3-52000122.6
1137S30.6Very low34.8Very low102 Ų102128.5 Ų128.571%0.71374%0.743SS**  57.1108.6125.3-66.40000122.8
1138A29.4Very low34.7Very low98 Ų98121.4 Ų121.481%0.8173%0.732SS**  96.1142.1120.300000121.8
1139R32.2Very low34.5Very low240 Ų240117.7 Ų117.791%0.90673%0.73SS**  trans96.190.6140.6-149.8163.6-168.7-169.51.5119.9
1140S35Very low34.3Very low100 Ų100117 Ų11770%0.69973%0.728SS**  trans-54.5177.4148.610.70000114.2
1141P47.9Very low34.7Very low94 Ų94119.3 Ų119.361%0.6173%0.733SS**  cis-140.3-146.7-26.536.8-15.1000111.4
1142A30.3Very low35Very low83 Ų83115 Ų11569%0.68672%0.723SS**  trans87.5147.7146.400000119.5
1143A32.4Very low35.1Very low57 Ų57112.9 Ų112.947%0.47172%0.722SS.*  cis-172.8-172.4-19.900000110.3
1144T30.4Very low33.9Very low96 Ų96113.2 Ų113.259%0.58972%0.722SS**  trans81.8107.9141.5-58.90000119.4C1171T1144-C1171 PolarHBondContact OG1-SG 3.45Å
1145V32.3Very low32.9Very low126 Ų126116.1 Ų116.176%0.76472%0.722SS**  trans53139.6132.1-176.70000119.3
1146G29.7Very low33Very low68 Ų68111.8 Ų111.870%0.70172%0.715SS**  cis134.21721.800000112.7
1147G30.2Very low33.3Very low79 Ų79110.9 Ų110.981%0.81472%0.719SS**  trans77.5172.9-173.300000113.4
1148S31.9Very low33.6Very low105 Ų105110.3 Ų110.373%0.73472%0.72SS**  cis-178160.7-15.445.90000108.8
1149S31.4Very low33.9Very low118 Ų118112.1 Ų112.183%0.82572%0.716SS**  trans70.2156.9161.5-67.90000116.3
1150S38.9Very low34Very low87 Ų87105.4 Ų105.461%0.60870%0.702SS**  cis-156.7-177.9-5.5380000111.2
1151D38.2Very low34.1Very low145 Ų145105.7 Ų105.778%0.77570%0.7SS**  trans78142.8150.2-59.1-44.7000119.7
1152S36.3Very low33.7Very low91 Ų91109.1 Ų109.164%0.63671%0.708SS**  cis-166.7166.1-1755.20000111.3
1153V33.4Very low33.8Very low132 Ų132110.4 Ų110.480%0.871%0.707SS**  trans47129.4135.8164.30000118.5
1154V31Very low34Very low119 Ų119112.7 Ų112.772%0.72172%0.72SS**  cis-175.7172.1-2.271.20000105.4
1155K28.1Very low34.3Very low175 Ų175113 Ų11376%0.76173%0.726SS**  cis-155.8176.69.8-143.7166.7175.7-176.70104.7
1156C32.8Very low34.3Very low101 Ų101113 Ų11368%0.68273%0.726SS**  cis-145.6167.923.3-870000113.4
1157S36.7Very low35Very low112 Ų112115.4 Ų115.478%0.78373%0.729SS**  trans14.4124.6144.1-470000119.8
1158A36.6Very low35Very low90 Ų90117.2 Ų117.274%0.74473%0.729SS**  cis-168.2171.8-2.600000109.4
1159N35.4Very low35.1Very low137 Ų137116.7 Ų116.773%0.73373%0.731SS**  cis-157.2179.8-2.4-145.714.9000112.8
1160T35.5Very low35.2Very low99 Ų99115.1 Ų115.161%0.60773%0.726SS**  trans5.4147.5147.551.10000122.2
1161T37.7Very low34.6Very low106 Ų106114.5 Ų114.565%0.6572%0.721SS**  cis-163133185.40000113.8
1162E37.8Very low34.4Very low165 Ų165111.4 Ų111.477%0.77171%0.71SS**  trans57160.2142.7-19.8-144.5149.700122.7
1163T34.3Very low34.2Very low111 Ų111109.9 Ų109.968%0.68171%0.709SS**  cis-159.5138.9-20.815.10000109.1
1164S36.3Very low34.2Very low105 Ų105106.6 Ų106.673%0.73470%0.702SS**  57.4148.6100.890.70000117.5
1165S35.4Very low34.3Very low102 Ų102109.8 Ų109.871%0.71371%0.709SS**  cis-156-158.3-5.344.40000108.1
1166T32.6Very low34.3Very low127 Ų127106.4 Ų106.478%0.77971%0.707SS**  cis-160.4155.412.6-30.80000110.1
1167P44.7Very low34.1Very low117 Ų117105.9 Ų105.976%0.7671%0.71SS**  trans-131.8-173.7-168.641.6-25.1000117.2
1168S30.7Very low33.9Very low117 Ų117106 Ų10682%0.81870%0.698SS**  131.8156.9124.9-149.50000120.5
1169A34.2Very low33.7Very low94 Ų94107.6 Ų107.678%0.77770%0.704SS**  trans75.4151157.200000122.7
1170A31.6Very low33.4Very low86 Ų86105.4 Ų105.471%0.71171%0.705SS**  cis-172.4159-26.800000114.9
1171C27.6Very low33.2Very low74 Ų74109 Ų10950%0.572%0.715SS.*  trans76.5107.4147.2-68.90000126.8T1144T1144-C1171 PolarHBondContact OG1-SG 3.45Å
1172S33.5Very low33.1Very low79 Ų79109.4 Ų109.455%0.55272%0.72SS**  84.9120.8112-580000126.5
1173G33.3Very low32.7Very low60 Ų60106.5 Ų106.562%0.61972%0.717SS**  138.4110.6126.700000122.1
1174G32.9Very low32.8Very low62 Ų62106.8 Ų106.864%0.63972%0.721SS**  trans89.7129.3164.100000116.9
1175Q32.6Very low32.7Very low187 Ų187109 Ų10987%0.87472%0.723SS**  cis90.913927.2-62.7160.2-103.100114.3
1176S29.1Very low32.4Very low103 Ų103114.4 Ų114.472%0.7273%0.728SS**  cis-168-171.8-5.5-95.40000111.6
1177A28.7Very low32.3Very low91 Ų91116.8 Ų116.875%0.75273%0.728SS**  trans96.566.7156.200000122.5
1178E31.9Very low31.9Very low113 Ų113116.2 Ų116.253%0.52872%0.722SS.*  trans15.2136.1136.9-167.3146.878.800124.7V983 G984V983-E1178 VanDerWaalsContact CA-OE1 3.24Å; V983-E1178 WeakPolarHBondContact CA-OE1 3.21Å; V983-E1178 PolarHBondContact N-OE1 2.89Å; V983-E1178 PolarHBondContact N-OE2 3.47Å; G984-E1178 PolarHBondContact N-OE1 3.01Å
1179S31.3Very low32.4Very low124 Ų124117.9 Ų117.987%0.86772%0.721SS**  trans-149.9151.5143.1-170.90000111.6
1180A30.4Very low32.7Very low92 Ų92117.1 Ų117.176%0.7672%0.715SS**PPolyproline II helixtrans-77.3140.2-151.900000117.7
1181Q29.9Very low33.6Very low175 Ų175116.5 Ų116.582%0.81870%0.704SS**PPolyproline II helixtrans-90.2154.2161.2-82.4-76.6-56.200111.2S1183Q1181-S1183 PolarHBondContact O-N 2.97Å
1182P36Very low34.6Very low114 Ų114116.6 Ų116.674%0.7470%0.702SS**PPolyproline II helixtrans-71.6129-176.929.1-34.5000112.4
1183S30Very low35.4Very low103 Ų103119.5 Ų119.572%0.7272%0.719SS**PPolyproline II helixtrans-72.8146.5169.651.90000111Q1181Q1181-S1183 PolarHBondContact O-N 2.97Å
1184P35.9Very low36.1Very low117 Ų117121.1 Ų121.176%0.7673%0.726SS**PPolyproline II helixtrans-64.7141.7178.527.1-34.6000110.4R1186P1184-R1186 PolarHBondContact O-N 3.39Å
1185I33.7Very low37.3Very low153 Ų153123.8 Ų123.879%0.78572%0.722SS**  trans-69.380.1178.8-52.4178.2000109.8F1187I1185-F1187 HydrophobicContact CG2-CD2 3.86Å; I1185-F1187 HydrophobicContact CG2-CE2 3.92Å; I1185-F1187 PolarHBondContact O-N 2.82Å
1186R30.4Very low37.9Very low214 Ų214120.8 Ų120.881%0.80871%0.712SS**  trans-66.9100164.4-174.3-179-172.7169.53.3106.6P1184 V1188P1184-R1186 PolarHBondContact O-N 3.39Å; R1186-V1188 HydrophobicContact CG-CG2 3.97Å; R1186-V1188 PolarHBondContact O-N 3.33Å
1187F30.7Very low38.2Very low177 Ų177119.8 Ų119.878%0.77672%0.717SS**  trans-62.182.4166-98.7-89.2000109.3I1185 L1189I1185-F1187 HydrophobicContact CG2-CD2 3.86Å; I1185-F1187 HydrophobicContact CG2-CE2 3.92Å; I1185-F1187 PolarHBondContact O-N 2.82Å; F1187-L1189 PolarHBondContact O-N 3.11Å
1188V34.8Very low38.6Very low106 Ų106122.9 Ų122.964%0.64272%0.719SS**  trans-69.187.8161.6-178.20000105.5R1186 A1190R1186-V1188 HydrophobicContact CG-CG2 3.97Å; R1186-V1188 PolarHBondContact O-N 3.33Å; V1188-A1190 PolarHBondContact O-N 2.92Å
1189L41.1Very low38.8Very low151 Ų151121.9 Ų121.979%0.79173%0.731SS**  trans-48.7115.6163.7-76.8163000107F1187F1187-L1189 PolarHBondContact O-N 3.11Å
1190A41.7Very low39Very low79 Ų79122.5 Ų122.565%0.65373%0.732SS**PPolyproline II helixtrans-50.6132.8177.700000108.6V1188 T1192V1188-A1190 PolarHBondContact O-N 2.92Å; A1190-T1192 PolarHBondContact O-N 3.38Å
1191P50.1Low39.4Very low73 Ų73121.9 Ų121.947%0.47473%0.734SS.*PPolyproline II helixtrans-49.8119.6-178.6-28.234.8000109.4Q1195 L1196P1191-Q1195 HydrophobicContact CB-CB 4.05Å; P1191-L1196 HydrophobicContact CB-CD1 4.3Å; P1191-L1196 HydrophobicContact CB-CG 4.21Å
1192T48.9Very low39.6Very low75 Ų75122 Ų12246%0.4673%0.734SS.*PPolyproline II helixtrans-57.9153.8-176.259.20000109.1A1190 A1194 Q1195A1190-T1192 PolarHBondContact O-N 3.38Å; T1192-A1194 PolarHBondContact O-N 3.15Å; T1192-Q1195 PolarHBondContact O-N 2.94Å; T1192-Q1195 PolarHBondContact OG1-OE1 2.92Å
1193P50.2Low39.6Very low141 Ų141121.6 Ų121.692%0.91673%0.73SS**THydrogen-bonded Turntrans-61.611.8-178-27.236.6000117
1194A46.9Very low40Very low93 Ų93125.6 Ų125.677%0.76974%0.735SS**THydrogen-bonded Turntrans-104.7-8.2167.600000113.9T1192T1192-A1194 PolarHBondContact O-N 3.15Å
1195Q59.7Low40Very low118 Ų118131.7 Ų131.755%0.55174%0.743SS**SBendtrans-104.7-5.2-172.4-67.1172.3-74.600114.1P1191 T1192P1191-Q1195 HydrophobicContact CB-CB 4.05Å; T1192-Q1195 PolarHBondContact O-N 2.94Å; T1192-Q1195 PolarHBondContact OG1-OE1 2.92Å
1196L44.9Very low40.1Very low125 Ų125128 Ų12865%0.65474%0.743SS**SBendtrans-115.695.7172.4-72.6170.2000109.7P1191 I1198P1191-L1196 HydrophobicContact CB-CD1 4.3Å; P1191-L1196 HydrophobicContact CB-CG 4.21Å; L1196-I1198 PolarHBondContact O-N 3.05Å
1197G34.8Very low40.3Very low81 Ų81122.9 Ų122.984%0.83574%0.739SS**  trans-88.368-16900000115.7
1198I37.2Very low40.6Very low156 Ų156122.2 Ų122.280%0.874%0.742SS**  trans-126.5141.3167.2-63.990.6000109.8L1196L1196-I1198 PolarHBondContact O-N 3.05Å
1199A35.6Very low40.8Very low93 Ų93121 Ų12177%0.76974%0.743SS**  trans-131.4132.9179.600000111.7
1200P36.3Very low40.5Very low137 Ų137121 Ų12189%0.8974%0.744SS**  trans-92.1136.6177.833.8-32.1000112.9
1201G38Very low40.4Very low78 Ų78124.6 Ų124.680%0.80475%0.745SS**  trans13276.6165.700000116.7
1202Q34.4Very low39.9Very low177 Ų177126.6 Ų126.683%0.82775%0.752SS**  trans-145.6165.8173.3-98.2-75.4-600110.9
1203T35.7Very low39.4Very low107 Ų107130.5 Ų130.566%0.65676%0.762SS**  trans84142.1-171.677.50000115.7
1204K38.6Very low38.7Very low186 Ų186131.7 Ų131.781%0.80976%0.755SS**  cis-142.4174.72.7-84104.5-173173.20109.6
1205R36.4Very low38.1Very low246 Ų246136.8 Ų136.893%0.92876%0.76SS**  cis18094.9-35.1-177.1-167.4-177-137.54.7111.4
1206G36.3Very low36.9Very low76 Ų76135 Ų13578%0.78477%0.765SS**  trans107.7170.7161.400000117.9
1207S34.3Very low36.3Very low106 Ų106134.3 Ų134.374%0.74177%0.771SS**  cis-170.9157.2-5.8-135.20000114.4
1208I37.6Very low36.4Very low162 Ų162134.3 Ų134.383%0.83176%0.763SS**  trans68.7138.2157.8-56.7154.5000116.5
1209A38.4Very low36.4Very low80 Ų80133.9 Ų133.966%0.66176%0.763SS**  cis-161.7-147.4-20.300000106.7
1210N35.4Very low36.4Very low152 Ų152136.9 Ų136.981%0.81377%0.766SS**  cis-174.8168.6-10.3-120.3-3.2000106.2
1211K39.4Very low36.3Very low154 Ų154137.7 Ų137.767%0.6776%0.762SS**  cis-172.2156.4-25.5-152.1-155171.7-150.20110.7
1212D39.3Very low36Very low115 Ų115137.9 Ų137.962%0.61576%0.756SS**  trans59.4152154.2-766.3000122.5
1213K37.5Very low35.9Very low158 Ų158135 Ų13569%0.68775%0.751SS**  cis-175.5149.8-16.3-171.5-172.3-176.2-1400113.9
1214Q35.6Very low35.8Very low165 Ų165138.5 Ų138.577%0.77176%0.76SS**  trans82.5163.5153.8-98.9167.3-43.500124.3
1215K34.6Very low35.2Very low201 Ų201136 Ų13687%0.87477%0.765SS**  trans-155.6153.5-163.4160.1-176.2174.7-179.60112.1
1216A34.2Very low35.1Very low79 Ų79127.7 Ų127.765%0.65376%0.755SS**  trans-159.5156.3153.300000113.8
1217S32.7Very low34.6Very low112 Ų112130.6 Ų130.678%0.78376%0.758SS**  trans54164.7155.249.20000121.6
1218A37.5Very low34.4Very low80 Ų80130.1 Ų130.166%0.66176%0.755SS**  cis-173.4-178.7-34.300000109.4
1219D37.5Very low34Very low148 Ų148128.7 Ų128.779%0.79175%0.754SS**  -161.5-176.6-64-77.9-42.7000109.2
1220N34.9Very low33.6Very low156 Ų156129.6 Ų129.683%0.83476%0.755SS**  trans81.6102.1166.8-64.2-11.4000124
1221D33.4Very low33.6Very low153 Ų153127.4 Ų127.482%0.81875%0.752SS**  81.6145.8108-140.12.3000126.2
1222A33.3Very low33.4Very low82 Ų82127.4 Ų127.468%0.67875%0.754SS**  trans64.9159.4155.400000124.1
1223T30.5Very low33.1Very low117 Ų117128.1 Ų128.172%0.71875%0.754SS**  cis-165.8165.1-40.9-58.10000109.2
1224Q35.4Very low33Very low181 Ų181128.4 Ų128.485%0.84676%0.755SS**  trans78.4145.7167.7-46.7-176700116.7
1225C24.8Very low32.9Very low133 Ų133125.6 Ų125.690%0.89975%0.754SS**  cis109.3121.75.2-166.40000115.8
1226G34Very low32.8Very low71 Ų71120.8 Ų120.873%0.73274%0.744SS**  trans162.188.9171.200000120.5
1227T27.3Very low32.5Very low137 Ų137124.6 Ų124.684%0.8475%0.753SS**  trans-2.3142.4154.115.20000126.4
1228S28.5Very low32.5Very low97 Ų97123.4 Ų123.468%0.67875%0.75SS**  104.3137.4118.5670000126.4
1229T29.3Very low32.1Very low132 Ų132128.2 Ų128.281%0.8176%0.759SS**  trans68.1139.2146.340.40000121.7
1230S29.9Very low32.3Very low99 Ų99126 Ų12669%0.69275%0.753SS**  cis177.1-179.610.752.30000111.1
1231S35.6Very low32.4Very low105 Ų105123.8 Ų123.873%0.73475%0.747SS**  trans79.7142.5166.4-51.90000117.2
1232Q35.2Very low32Very low154 Ų154121.6 Ų121.672%0.7274%0.743SS**  cis-157139.34.7-137176.7-46.900112.5
1233E33.5Very low31.8Very low130 Ų130128.8 Ų128.861%0.60775%0.752SS**  trans58.6150.9150.1-72.2172.7-132.200121.7
1234K35.3Very low31.8Very low165 Ų165126.7 Ų126.772%0.71775%0.754SS**  cis-157.4147.22.1-134.3161.9-169.6150.50113
1235S34.3Very low31.5Very low106 Ų106124.7 Ų124.774%0.74175%0.749SS**  trans47.6149.2150.1-73.20000124
1236C30.8Very low31.6Very low99 Ų99123.2 Ų123.267%0.66974%0.74SS**  cis-172.4142.5-26.753.40000111.2
1237N28Very low31.4Very low159 Ų159124.4 Ų124.485%0.8574%0.743SS**  trans31.2153.8140.5-43.3-14.4000121.1
1238A33.6Very low31.6Very low87 Ų87127.3 Ų127.372%0.71975%0.747SS**  cis-167.9152.230.300000115
1239E29.5Very low31.6Very low181 Ų181129 Ų12985%0.84676%0.758SS**  trans64.8160137.8-66.7-61.29000124.1
1240P40.8Very low31.5Very low101 Ų101126.3 Ų126.366%0.65675%0.749SS**  trans-118.8-169.7-158.446.3-34.4000114.4
1241P37.5Very low31.6Very low110 Ų110131.9 Ų131.971%0.71476%0.76SS**  -154.3176.786.141.8-21.9000117.9
1242C26.2Very low31.3Very low108 Ų108131.3 Ų131.373%0.7376%0.762SS**  trans30.5129.8144.9-67.50000122.3
1243R29Very low31.1Very low233 Ų233130.2 Ų130.288%0.87977%0.766SS**  cis97.3148.749.1-82.7178.1178.1-112.57.2113.3
1244G30.2Very low31.1Very low73 Ų73133.6 Ų133.675%0.75378%0.779SS**  trans115.784.1-174.700000111.3
1245D28.2Very low31Very low139 Ų139134.8 Ų134.874%0.74378%0.784SS**  cis99.7136.830.9-146.9-20.3000113.8
1246S27.8Very low31.2Very low101 Ų101141.3 Ų141.371%0.70679%0.792SS**  trans30.4110.2166-64.90000123.4
1247A30Very low31.5Very low97 Ų97144.1 Ų144.180%0.80280%0.795SS**  84.6159.5113.700000122.8
1248E29.7Very low32.4Very low198 Ų198143.1 Ų143.193%0.92579%0.79SS**  trans59.199.1160.8-156.3150.1-176.600120.3
1249C28.5Very low33.1Very low133 Ų133142.5 Ų142.590%0.89978%0.781SS**  trans-148.2144.7156.6-168.90000110.7
1250A28.8Very low34.4Very low75 Ų75139.8 Ų139.862%0.6277%0.772SS**  trans-117.5159.4-173.900000113
1251K30.9Very low35.3Very low216 Ų216141.3 Ų141.394%0.93977%0.772SS**  trans53.459.6157.5-58.7168.8-174.7166.10117.2
1252A29.4Very low36.7Very low92 Ų92140.7 Ų140.776%0.7676%0.762SS**  trans-130.7119.7161.300000114
1253V31.7Very low38.7Very low132 Ų132145 Ų14580%0.876%0.763SS**  trans5.4113141-174.80000118.1
1254F32.2Very low40.1Very low201 Ų201138.4 Ų138.488%0.88275%0.749SS**SBendtrans55.9148153.8-81.9-102.5000122
1255K34.8Very low41.6Very low189 Ų189139.4 Ų139.482%0.82274%0.736SS**  trans80.7158.3162.2-140.5168.2-175.9177.20115.9
1256R37.4Very low43.1Very low243 Ų243136.8 Ų136.892%0.91773%0.729SS**  trans75.3142.1-168.5-50.7178.9178.1-169.5-1.4113.2
1257Q38Very low44.8Very low159 Ų159138 Ų13874%0.74373%0.732SS**  cis-146.491.38.2-173.3-17617.800112.1
1258D46.7Very low46Very low138 Ų138136.3 Ų136.374%0.73871%0.712SS**  trans-86.1-17.9179-64.1-74.9000114.5N1260 M1261D1258-N1260 PolarHBondContact O-N 3.42Å; D1258-M1261 PolarHBondContact O-N 3Å; D1258-M1261 VanDerWaalsContact O-N 3.07Å
1259S48.2Very low47.3Very low74 Ų74131.3 Ų131.352%0.51769%0.691SS.*Hα-helixtrans-63.3-1.3-168.457.10000117.1
1260N56.3Low48.7Very low123 Ų123131.2 Ų131.266%0.65868%0.676SS**Hα-helixtrans-76.7-34.6170.8-168.8-91.4000111.9D1258D1258-N1260 PolarHBondContact O-N 3.42Å
1261M60.7Low50.8Low134 Ų134130.1 Ų130.166%0.6667%0.672SS**Hα-helixtrans-70.8-34.3177-70.8-140.9-58.100112.2D1258 R1263 V1264 L1265D1258-M1261 PolarHBondContact O-N 3Å; D1258-M1261 VanDerWaalsContact O-N 3.07Å; M1261-R1263 VanDerWaalsContact C-N 3.32Å; M1261-R1263 PolarHBondContact O-N 3.12Å; M1261-V1264 CarbonylContact O-C 3.55Å; M1261-V1264 WeakPolarHBondContact O-CA 3.4Å; M1261-V1264 WeakPolarHBondContact O-CB 3.24Å; M1261-V1264 PolarHBondContact O-N 3.33Å; M1261-L1265 WeakPolarHBondContact O-CG 3.4Å; M1261-L1265 PolarHBondContact O-N 3.45Å
1262D65.4Low52.6Low97 Ų97125.1 Ų125.152%0.51965%0.652SS.*Hα-helixtrans-64.6-35.5-177.8-57.3-46.6000112.4L1265 S1266D1262-L1265 CarbonylContact O-C 3.59Å; D1262-L1265 PolarHBondContact O-N 2.92Å; D1262-S1266 WeakPolarHBondContact O-CB 3.46Å; D1262-S1266 PolarHBondContact O-N 3.46Å; D1262-S1266 PolarHBondContact O-OG 3.11Å
1263R69.3Low54.3Low197 Ų197127.9 Ų127.974%0.74365%0.646SS**Hα-helixtrans-66.2-33.5170.3-88.2-177.2169.2161.9-2.6113.4M1261 L1265 S1266 V1267M1261-R1263 VanDerWaalsContact C-N 3.32Å; M1261-R1263 PolarHBondContact O-N 3.12Å; R1263-L1265 VanDerWaalsContact C-N 3.3Å; R1263-S1266 PolarHBondContact O-OG 3.43Å; R1263-V1267 VanDerWaalsContact O-CG2 3.31Å; R1263-V1267 WeakPolarHBondContact O-CG2 2.98Å; R1263-V1267 PolarHBondContact O-N 2.91Å
1264V58.8Low55.9Low95 Ų95129.1 Ų129.158%0.57664%0.641SS**Hα-helixtrans-73.6-26.3174.8178.40000111.2M1261M1261-V1264 CarbonylContact O-C 3.55Å; M1261-V1264 WeakPolarHBondContact O-CA 3.4Å; M1261-V1264 WeakPolarHBondContact O-CB 3.24Å; M1261-V1264 PolarHBondContact O-N 3.33Å
1265L61.6Low57.6Low94 Ų94123.7 Ų123.749%0.49263%0.634SS.*Hα-helixtrans-81.3-35.1173.6-67.3168.9000112.3M1261 D1262 R1263 V1268 F1270M1261-L1265 WeakPolarHBondContact O-CG 3.4Å; M1261-L1265 PolarHBondContact O-N 3.45Å; D1262-L1265 CarbonylContact O-C 3.59Å; D1262-L1265 PolarHBondContact O-N 2.92Å; R1263-L1265 VanDerWaalsContact C-N 3.3Å; L1265-V1268 PolarHBondContact O-N 2.81Å; L1265-F1270 HydrophobicContact CD2-CE2 4.4Å
1266S58.5Low58.9Low85 Ų85121.4 Ų121.459%0.59463%0.626SS**Hα-helixtrans-74.2-28.7178.873.70000113.7D1262 R1263 V1268D1262-S1266 WeakPolarHBondContact O-CB 3.46Å; D1262-S1266 PolarHBondContact O-N 3.46Å; D1262-S1266 PolarHBondContact O-OG 3.11Å; R1263-S1266 PolarHBondContact O-OG 3.43Å; S1266-V1268 VanDerWaalsContact C-N 3.25Å; S1266-V1268 PolarHBondContact O-N 3.23Å
1267V65Low60Low125 Ų125115.1 Ų115.176%0.75861%0.61SS**SBendtrans-72.4-19.4174169.80000112.1R1263 N1269R1263-V1267 VanDerWaalsContact O-CG2 3.31Å; R1263-V1267 WeakPolarHBondContact O-CG2 2.98Å; R1263-V1267 PolarHBondContact O-N 2.91Å; V1267-N1269 PolarHBondContact O-N 3.06Å
1268V54.8Low61.3Low63 Ų63113.4 Ų113.438%0.38261%0.612SS.*SBendtrans-96.392.8173-175.40000108.6L1265 S1266 F1270L1265-V1268 PolarHBondContact O-N 2.81Å; S1266-V1268 VanDerWaalsContact C-N 3.25Å; S1266-V1268 PolarHBondContact O-N 3.23Å; V1268-F1270 VanDerWaalsContact C-N 3.25Å; V1268-F1270 HydrophobicContact CB-CD2 4.12Å; V1268-F1270 HydrophobicContact CB-CE2 3.71Å; V1268-F1270 HydrophobicContact CB-CZ 4.09Å; V1268-F1270 HydrophobicContact CG1-CD1 4.12Å; V1268-F1270 HydrophobicContact CG1-CD2 3.89Å; V1268-F1270 HydrophobicContact CG1-CE1 3.79Å; V1268-F1270 HydrophobicContact CG1-CE2 3.54Å; V1268-F1270 HydrophobicContact CG1-CG 4.17Å; V1268-F1270 HydrophobicContact CG1-CZ 3.48Å; V1268-F1270 VanDerWaalsContact CG1-CZ 3.48Å; V1268-F1270 WeakPolarHBondContact O-CD2 3.5Å; V1268-F1270 PolarHBondContact O-N 3.08Å
1269N56.7Low62.1Low92 Ų92115.5 Ų115.549%0.49262%0.618SS.*  trans-68.380.9-179.1-1548.8000111.4V1267 E1272 K1273V1267-N1269 PolarHBondContact O-N 3.06Å; N1269-E1272 HydrophobicContact CB-CB 4.27Å; N1269-E1272 WeakPolarHBondContact ND2-CB 3.33Å; N1269-E1272 PolarHBondContact ND2-OE2 2.97Å; N1269-K1273 PolarHBondContact O-N 2.85Å
1270F57.7Low61.8Low132 Ų132120.6 Ų120.658%0.57963%0.631SS**Hα-helixtrans-66.8-36.9-174.4-77.4-75.8000112L1265 V1268 K1273 F1274L1265-F1270 HydrophobicContact CD2-CE2 4.4Å; V1268-F1270 VanDerWaalsContact C-N 3.25Å; V1268-F1270 HydrophobicContact CB-CD2 4.12Å; V1268-F1270 HydrophobicContact CB-CE2 3.71Å; V1268-F1270 HydrophobicContact CB-CZ 4.09Å; V1268-F1270 HydrophobicContact CG1-CD1 4.12Å; V1268-F1270 HydrophobicContact CG1-CD2 3.89Å; V1268-F1270 HydrophobicContact CG1-CE1 3.79Å; V1268-F1270 HydrophobicContact CG1-CE2 3.54Å; V1268-F1270 HydrophobicContact CG1-CG 4.17Å; V1268-F1270 HydrophobicContact CG1-CZ 3.48Å; V1268-F1270 VanDerWaalsContact CG1-CZ 3.48Å; V1268-F1270 WeakPolarHBondContact O-CD2 3.5Å; V1268-F1270 PolarHBondContact O-N 3.08Å; F1270-K1273 CarbonylContact O-C 3.58Å; F1270-K1273 PolarHBondContact O-N 3.1Å; F1270-F1274 VanDerWaalsContact O-CB 3.24Å; F1270-F1274 WeakPolarHBondContact O-CB 2.99Å; F1270-F1274 PolarHBondContact O-N 3.21Å
1271G72.5Confident61.6Low52 Ų52120.6 Ų120.654%0.53663%0.631SS.*Hα-helixtrans-59.9-49.2178.800000111.9K1273 F1274 A1275G1271-K1273 VanDerWaalsContact C-N 3.34Å; G1271-K1273 PolarHBondContact O-N 2.9Å; G1271-F1274 PolarHBondContact O-N 3.49Å; G1271-A1275 WeakPolarHBondContact O-CB 3.32Å; G1271-A1275 PolarHBondContact O-N 3.49Å
1272E69.5Low61Low111 Ų111119.1 Ų119.152%0.51963%0.632SS.*Hα-helixtrans-62.3-37.5178.5-171.9175-146.300112.8N1269 F1274 Q1276N1269-E1272 HydrophobicContact CB-CB 4.27Å; N1269-E1272 WeakPolarHBondContact ND2-CB 3.33Å; N1269-E1272 PolarHBondContact ND2-OE2 2.97Å; E1272-F1274 VanDerWaalsContact C-N 3.34Å; E1272-Q1276 VanDerWaalsContact O-CG 3.31Å; E1272-Q1276 WeakPolarHBondContact O-CG 3.2Å; E1272-Q1276 PolarHBondContact O-N 3Å
1273K64.8Low60.1Low149 Ų149121.6 Ų121.665%0.64865%0.645SS**Hα-helixtrans-81.2-9174.4-75.3-179176.4170.70114.7N1269 F1270 G1271N1269-K1273 PolarHBondContact O-N 2.85Å; F1270-K1273 CarbonylContact O-C 3.58Å; F1270-K1273 PolarHBondContact O-N 3.1Å; G1271-K1273 VanDerWaalsContact C-N 3.34Å; G1271-K1273 PolarHBondContact O-N 2.9Å
1274F64.6Low59Low159 Ų159121.2 Ų121.270%0.69765%0.651SS**Hα-helixtrans-92.4-40.4172.8-161.6-99.5000110.4F1270 G1271 E1272 Q1276 L1277F1270-F1274 VanDerWaalsContact O-CB 3.24Å; F1270-F1274 WeakPolarHBondContact O-CB 2.99Å; F1270-F1274 PolarHBondContact O-N 3.21Å; G1271-F1274 PolarHBondContact O-N 3.49Å; E1272-F1274 VanDerWaalsContact C-N 3.34Å; F1274-Q1276 PolarHBondContact O-N 3.02Å; F1274-L1277 HydrophobicContact CD2-CD1 4.26Å; F1274-L1277 WeakPolarHBondContact O-CB 3.39Å; F1274-L1277 PolarHBondContact O-N 3.14Å
1275A67.7Low58Low87 Ų87126.7 Ų126.772%0.71966%0.661SS**THydrogen-bonded Turntrans-64-15172.300000114.3G1271G1271-A1275 WeakPolarHBondContact O-CB 3.32Å; G1271-A1275 PolarHBondContact O-N 3.49Å
1276Q63.5Low56.8Low141 Ų141129.5 Ų129.566%0.65967%0.672SS**THydrogen-bonded Turntrans-930.8173.1-70.1173.218.500113.7E1272 F1274E1272-Q1276 VanDerWaalsContact O-CG 3.31Å; E1272-Q1276 WeakPolarHBondContact O-CG 3.2Å; E1272-Q1276 PolarHBondContact O-N 3Å; F1274-Q1276 PolarHBondContact O-N 3.02Å
1277L59.7Low55.7Low111 Ų111128.8 Ų128.858%0.58168%0.678SS**SBendtrans-90.5137.3171.2-68.2169.5000109.5F1274 E1279F1274-L1277 HydrophobicContact CD2-CD1 4.26Å; F1274-L1277 WeakPolarHBondContact O-CB 3.39Å; F1274-L1277 PolarHBondContact O-N 3.14Å; L1277-E1279 PolarHBondContact O-N 2.89Å
1278P66.3Low54.3Low122 Ų122127.9 Ų127.979%0.79268%0.684SS**PPolyproline II helixtrans-57.7129176.3-25.835000112.1
1279E62.9Low53.5Low182 Ų182129.6 Ų129.685%0.8570%0.699SS**PPolyproline II helixtrans-58.1143.5168-162.1153.7-137.900109.9L1277L1277-E1279 PolarHBondContact O-N 2.89Å
1280F42.7Very low52.9Low181 Ų181131.4 Ų131.479%0.79471%0.713SS**  trans-132.994.5-170.3179.5-95.2000109.9
1281D52.1Low52.2Low124 Ų124130 Ų13066%0.66372%0.717SS**  trans-71.8130.8175.8-62.7-56.2000110.8
1282P47.9Very low50.5Low103 Ų103133.1 Ų133.167%0.66973%0.73SS**SBendtrans-89.9-2.1-171.635.2-36.5000115.4
1283D45.2Very low49.2Very low148 Ų148131.5 Ų131.579%0.79173%0.728SS**  trans-94.1-1.1-168.1-72.4-62.6000116R1285D1283-R1285 PolarHBondContact O-N 2.78Å
1284E47.4Very low48.5Very low189 Ų189129.2 Ų129.288%0.88373%0.729SS**  trans-78.1102.2172.2-67.8-161.9133.400111.8
1285R36.3Very low47.7Very low210 Ų210128.2 Ų128.279%0.79273%0.73SS**  trans-43.7156.3161.3-77.2171.7166.8-131.911.6111.8D1283D1283-R1285 PolarHBondContact O-N 2.78Å
1286E37.1Very low47Very low154 Ų154130 Ų13072%0.7272%0.723SS**  cis-167.1165.924.3-137.4155.6-134.500112.1
1287G35.4Very low46.6Very low70 Ų70128 Ų12872%0.72272%0.716SS**  trans84.7106.4143.900000122.3
1288A34.8Very low46.6Very low105 Ų105126 Ų12687%0.86871%0.709SS**  trans61.3156.5146.200000121.1
1289S38.1Very low46Very low100 Ų100126.8 Ų126.870%0.69970%0.699SS**  cis-154.2152.1-33.260.70000109.6
1290V45Very low45.5Very low129 Ų129122 Ų12278%0.78268%0.683SS**  trans-96.8136.6-173.2-174.60000110.8S1292V1290-S1292 PolarHBondContact O-N 2.77Å; V1290-S1292 VanDerWaalsContact O-N 3.07Å
1291P41.9Very low45.5Very low103 Ų103121.3 Ų121.367%0.66968%0.676SS**  trans-66.5108.8-173.223.9-34.8000114.1T1293P1291-T1293 PolarHBondContact O-N 2.71Å
1292S36.8Very low45.5Very low117 Ų117121.9 Ų121.982%0.81867%0.673SS**  trans-70.182.9177.2-67.60000113.7V1290V1290-S1292 PolarHBondContact O-N 2.77Å; V1290-S1292 VanDerWaalsContact O-N 3.07Å
1293T44.2Very low45.5Very low78 Ų78120.7 Ų120.748%0.47966%0.661SS.*  trans-179.1136136.422.50000111.7P1291 L1295 Q1296P1291-T1293 PolarHBondContact O-N 2.71Å; T1293-L1295 PolarHBondContact O-N 3.08Å; T1293-L1295 VanDerWaalsContact O-N 3.12Å; T1293-Q1296 PolarHBondContact O-N 2.82Å
1294P49.1Very low45.5Very low101 Ų101121.8 Ų121.866%0.65666%0.659SS**Hα-helixtrans-58.3-26.8175.9-26.635.5000114.8Q1296 I1297 V1298P1294-Q1296 PolarHBondContact O-N 3.28Å; P1294-I1297 PolarHBondContact O-N 2.79Å; P1294-V1298 VanDerWaalsContact O-CG2 3.31Å; P1294-V1298 WeakPolarHBondContact O-CG2 3.5Å; P1294-V1298 PolarHBondContact O-N 2.92Å
1295L48Very low45.6Very low137 Ų137117.8 Ų117.872%0.71764%0.64SS**Hα-helixtrans-67.1-34.1-175.9-73.1166.1000113.6T1293 V1298 K1299T1293-L1295 PolarHBondContact O-N 3.08Å; T1293-L1295 VanDerWaalsContact O-N 3.12Å; L1295-V1298 PolarHBondContact O-N 3.5Å; L1295-K1299 VanDerWaalsContact O-CB 3.29Å; L1295-K1299 WeakPolarHBondContact O-CB 3.5Å; L1295-K1299 PolarHBondContact O-N 2.9Å
1296Q52.1Low46Very low124 Ų124115.8 Ų115.858%0.57964%0.637SS**Hα-helixtrans-68.8-41.5177.1-72.1-710.600111.8T1293 P1294 K1299 T1300T1293-Q1296 PolarHBondContact O-N 2.82Å; P1294-Q1296 PolarHBondContact O-N 3.28Å; Q1296-K1299 PolarHBondContact O-N 2.83Å; Q1296-T1300 WeakPolarHBondContact O-CG2 3.38Å; Q1296-T1300 PolarHBondContact O-N 3Å; Q1296-T1300 PolarHBondContact O-OG1 3.37Å
1297I55.1Low46.2Very low101 Ų101116 Ų11652%0.51864%0.638SS.*Hα-helixtrans-63.8-44.9174.8-63.8172.9000110P1294 T1300 Y1301P1294-I1297 PolarHBondContact O-N 2.79Å; I1297-T1300 PolarHBondContact O-OG1 2.81Å; I1297-T1300 VanDerWaalsContact O-OG1 3.1Å; I1297-Y1301 WeakPolarHBondContact O-CB 3.07Å; I1297-Y1301 PolarHBondContact O-N 3.23Å
1298V59.2Low46.4Very low69 Ų69115.6 Ų115.642%0.41863%0.634SS.*Hα-helixtrans-63.9-43.8177.6169.20000111.8P1294 L1295 Y1301 F1302P1294-V1298 VanDerWaalsContact O-CG2 3.31Å; P1294-V1298 WeakPolarHBondContact O-CG2 3.5Å; P1294-V1298 PolarHBondContact O-N 2.92Å; L1295-V1298 PolarHBondContact O-N 3.5Å; V1298-Y1301 PolarHBondContact O-N 2.72Å; V1298-F1302 HydrophobicContact CG1-CD2 3.62Å; V1298-F1302 HydrophobicContact CG1-CE2 3.63Å; V1298-F1302 VanDerWaalsContact O-CD2 3.31Å; V1298-F1302 WeakPolarHBondContact O-CD2 3.4Å; V1298-F1302 PolarHBondContact O-N 3.05Å
1299K55.1Low46.6Very low137 Ų137118.6 Ų118.660%0.59663%0.627SS**Hα-helixtrans-63.4-48.6179.7-168.6166.3-175.2175.50111.9L1295 Q1296 Y1301 F1302 D1303L1295-K1299 VanDerWaalsContact O-CB 3.29Å; L1295-K1299 WeakPolarHBondContact O-CB 3.5Å; L1295-K1299 PolarHBondContact O-N 2.9Å; Q1296-K1299 PolarHBondContact O-N 2.83Å; K1299-Y1301 VanDerWaalsContact C-N 3.27Å; K1299-Y1301 PolarHBondContact O-N 2.91Å; K1299-F1302 PolarHBondContact O-N 3.15Å; K1299-F1302 VanDerWaalsContact O-N 3.13Å; K1299-D1303 PolarHBondContact O-N 3.01Å
1300T52.9Low46.2Very low83 Ų83125.4 Ų125.451%0.50964%0.638SS.*Hα-helixtrans-63.6-29.4175.7520000113.5Q1296 I1297 K1304Q1296-T1300 WeakPolarHBondContact O-CG2 3.38Å; Q1296-T1300 PolarHBondContact O-N 3Å; Q1296-T1300 PolarHBondContact O-OG1 3.37Å; I1297-T1300 PolarHBondContact O-OG1 2.81Å; I1297-T1300 VanDerWaalsContact O-OG1 3.1Å; T1300-K1304 WeakPolarHBondContact O-CB 3.41Å; T1300-K1304 PolarHBondContact O-N 3.39Å
1301Y42.4Very low45.6Very low166 Ų166123.2 Ų123.265%0.65163%0.633SS**Hα-helixtrans-70.3-40.4172.3-142.2-95.2000112.4I1297 V1298 K1299 Q1305I1297-Y1301 WeakPolarHBondContact O-CB 3.07Å; I1297-Y1301 PolarHBondContact O-N 3.23Å; V1298-Y1301 PolarHBondContact O-N 2.72Å; K1299-Y1301 VanDerWaalsContact C-N 3.27Å; K1299-Y1301 PolarHBondContact O-N 2.91Å; Y1301-Q1305 PolarHBondContact O-N 3.38Å
1302F50.8Low45.3Very low135 Ų135126.8 Ų126.859%0.59264%0.641SS**Hα-helixtrans-72.2-41.3177-84.1-63.7000112.8V1298 K1299 K1304 Q1305 K1306V1298-F1302 HydrophobicContact CG1-CD2 3.62Å; V1298-F1302 HydrophobicContact CG1-CE2 3.63Å; V1298-F1302 VanDerWaalsContact O-CD2 3.31Å; V1298-F1302 WeakPolarHBondContact O-CD2 3.4Å; V1298-F1302 PolarHBondContact O-N 3.05Å; K1299-F1302 PolarHBondContact O-N 3.15Å; K1299-F1302 VanDerWaalsContact O-N 3.13Å; F1302-K1304 PolarHBondContact O-N 3.08Å; F1302-Q1305 CarbonylContact O-C 3.52Å; F1302-Q1305 WeakPolarHBondContact O-CA 3.4Å; F1302-Q1305 PolarHBondContact O-N 3.03Å; F1302-K1306 WeakPolarHBondContact O-CB 3.37Å; F1302-K1306 PolarHBondContact O-N 2.84Å
1303D47.5Very low45Very low78 Ų78128.5 Ų128.542%0.41764%0.641SS.*Hα-helixtrans-65.3-37.9178.1-72.9-42000111.7K1299 Q1305 K1306 Q1307K1299-D1303 PolarHBondContact O-N 3.01Å; D1303-Q1305 VanDerWaalsContact C-N 3.32Å; D1303-Q1305 PolarHBondContact O-N 3.26Å; D1303-K1306 PolarHBondContact O-N 3.42Å; D1303-K1306 VanDerWaalsContact O-N 3.12Å; D1303-Q1307 PolarHBondContact O-N 2.81Å
1304K45.6Very low44.6Very low172 Ų172133.2 Ų133.275%0.74866%0.657SS**Hα-helixtrans-67.4-26170.5-79.3-173.3173.2179.30113.9T1300 F1302 G1308T1300-K1304 WeakPolarHBondContact O-CB 3.41Å; T1300-K1304 PolarHBondContact O-N 3.39Å; F1302-K1304 PolarHBondContact O-N 3.08Å; K1304-G1308 PolarHBondContact O-N 3.12Å
1305Q50Low43.7Very low105 Ų105139.4 Ų139.449%0.49167%0.667SS.*Hα-helixtrans-80.1-22.7168.7-73.3-163.22400113.7Y1301 F1302 D1303Y1301-Q1305 PolarHBondContact O-N 3.38Å; F1302-Q1305 CarbonylContact O-C 3.52Å; F1302-Q1305 WeakPolarHBondContact O-CA 3.4Å; F1302-Q1305 PolarHBondContact O-N 3.03Å; D1303-Q1305 VanDerWaalsContact C-N 3.32Å; D1303-Q1305 PolarHBondContact O-N 3.26Å
1306K45.5Very low42.9Very low167 Ų167142.6 Ų142.673%0.72668%0.676SS**Hα-helixtrans-81.4-32.9179.3-154.4169.2-174.9178.30112.3F1302 D1303F1302-K1306 WeakPolarHBondContact O-CB 3.37Å; F1302-K1306 PolarHBondContact O-N 2.84Å; D1303-K1306 PolarHBondContact O-N 3.42Å; D1303-K1306 VanDerWaalsContact O-N 3.12Å
1307Q41.7Very low42Very low160 Ų160145.9 Ų145.975%0.74869%0.689SS**Hα-helixtrans-77.6-29.5171.4-69-176.9-1100113D1303 K1309D1303-Q1307 PolarHBondContact O-N 2.81Å; Q1307-K1309 PolarHBondContact O-N 3.17Å; Q1307-K1309 VanDerWaalsContact O-N 3.08Å
1308G38.2Very low40.8Very low61 Ų61151.4 Ų151.463%0.62971%0.709SS**THydrogen-bonded Turntrans-72.99.7177.200000116.4K1304K1304-G1308 PolarHBondContact O-N 3.12Å
1309K38.8Very low39.3Very low167 Ų167151.7 Ų151.773%0.72673%0.725SS**THydrogen-bonded Turntrans-12919.7-175-75.8-171.2173.5-175.80115Q1307Q1307-K1309 PolarHBondContact O-N 3.17Å; Q1307-K1309 VanDerWaalsContact O-N 3.08Å
1310R30.6Very low38.2Very low244 Ų244152.9 Ų152.992%0.92174%0.737SS**SBendtrans-13141.1167.7-75-172.5169.3-176.8-4.2111.5
1311A32.6Very low37Very low83 Ų83154.6 Ų154.669%0.68675%0.751SS**SBendtrans-16039.3-177.400000113.8
1312Q34.7Very low36.3Very low177 Ų177154.7 Ų154.783%0.82776%0.755SS**SBendtrans-153.2-9167.1-137.2179.6-5.900117
1313D31.4Very low35.4Very low154 Ų154156.6 Ų156.682%0.82476%0.764SS**SBendtrans-65.3159.2142.4-60.5-62000108.5
1314E35.6Very low34.8Very low177 Ų177160.4 Ų160.483%0.82778%0.784SS**SBendtrans67.333.5-166.7-65.7-58.4100.500116.8
1315R29.8Very low33.9Very low230 Ų230156.7 Ų156.787%0.86878%0.778SS**SBendtrans-144.140.1147-154173.6-77.4-155.2-3.3114.1
1316F31.6Very low33Very low205 Ų205158.7 Ų158.790%0.89979%0.788SS**SBendtrans-133.337.3177.3-136.8-81.2000113.3
1317K33.6Very low32.2Very low193 Ų193158.9 Ų158.984%0.83979%0.789SS**SBendtrans-150.269.7175.8-112.3-179-179.3-175.40113.1
1318K28.7Very low31.6Very low217 Ų217156.4 Ų156.494%0.94379%0.788SS**SBendtrans174.1101.2156.5-100.7168.8-175.8-173.70106.7
1319G27.7Very low31.4Very low74 Ų74159 Ų15976%0.76380%0.796SS**  trans168.415.9-16800000117.6
1320L31.6Very low31Very low162 Ų162154.7 Ų154.785%0.84880%0.8SS**  trans-140.7145157.6-66.894.3000104.2
1321C27.8Very low31.1Very low119 Ų119147.1 Ų147.180%0.80480%0.797SS**  cis-120.4-171.58.6-88.20000110.9
1322F28.4Very low31Very low168 Ų168148.1 Ų148.174%0.73781%0.806SS**  cis173.3146.2-38.8-158.4-102.1000106
1323K32.3Very low30.9Very low176 Ų176143.2 Ų143.277%0.76580%0.803SS**  trans65.9158.5-172.6-56.4150.1178-176.90113.6
1324N34.9Very low31.3Very low157 Ų157141.4 Ų141.484%0.8480%0.8SS**  cis-133174.5-0.3-158.59000112.9
1325C27Very low31.1Very low94 Ų94138.1 Ų138.164%0.63580%0.796SS**  trans-69.2175.3164.2-128.80000110.9
1326Q30.7Very low31.3Very low148 Ų148131.3 Ų131.369%0.69278%0.784SS**  cis-158-176.521.2-154.5148.8-79.200111.9
1327F28.3Very low31.4Very low171 Ų171130.1 Ų130.175%0.7578%0.781SS**  trans5.7140.9156.1-100.7-137.8000119.6
1328C30.1Very low31.3Very low108 Ų108126.4 Ų126.473%0.7378%0.779SS**  -150.6160.952.8-89.10000115.3
1329S33.8Very low31.4Very low114 Ų114123.4 Ų123.480%0.79777%0.768SS**  trans21138.3145.1-47.40000122.3
1330G30.4Very low31.6Very low78 Ų78127.3 Ų127.380%0.80477%0.767SS**  cis150.4140.8-7.800000114.8
1331G31.3Very low31.4Very low84 Ų84125.3 Ų125.387%0.86676%0.761SS**  trans72.2164.7173.600000115.4
1332A31Very low31.4Very low105 Ų105123.1 Ų123.187%0.86875%0.752SS**  cis-155.9148.4-22.400000107.8
1333G33.1Very low31.4Very low74 Ų74123.8 Ų123.876%0.76376%0.757SS**  114.1156.4110.700000111.7
1334P39.6Very low31.5Very low116 Ų116121.7 Ų121.775%0.75376%0.76SS**  trans-131.4-172.8-159.339.2-20.6000116.1
1335S31.4Very low31.3Very low107 Ų107119.6 Ų119.675%0.74876%0.757SS**  trans71.6154.8162.417.70000117.1
1336S34.7Very low31.9Very low88 Ų88120.4 Ų120.462%0.61576%0.761SS**  cis-169.6142-9.540.30000112.7
1337E33.3Very low32Very low180 Ų180118.4 Ų118.484%0.84176%0.764SS**  trans63.9168.5136.1-64.8173118.800123.1
1338S31.1Very low32.5Very low114 Ų114116 Ų11680%0.79776%0.763SS**  trans73.7154.3169.874.20000119.9
1339E30.9Very low32.9Very low154 Ų154115.7 Ų115.772%0.7276%0.762SS**  -164.9155-51.8-130.4-173.799.100111.9
1340Q32.1Very low33.1Very low156 Ų156119.1 Ų119.173%0.72976%0.762SS**  trans61174.7164.9-53.2172.229.300114.5
1341T26.7Very low33.6Very low120 Ų120121 Ų12174%0.73676%0.763SS**  cis-148.7171.54.9-33.50000110
1342A28.6Very low34Very low73 Ų73121.5 Ų121.560%0.60376%0.759SS**  trans73.1121.1161.600000117
1343Q27.9Very low34.3Very low182 Ų182121.8 Ų121.885%0.8575%0.752SS**  61.2126.983.4-57.616316.500112
1344T35.4Very low34.5Very low133 Ų133128 Ų12882%0.81676%0.758SS**  cis-148.3176.737.249.10000114.5
1345S30.8Very low34.2Very low112 Ų112129 Ų12978%0.78376%0.762SS**  trans-123.7-170.9167.2-47.70000108.5
1346P39.3Very low34.5Very low112 Ų112129.5 Ų129.573%0.72776%0.763SS**  cis-142.9-158.8-0.943.1-22.3000115.4
1347S32.4Very low34.4Very low106 Ų106132.3 Ų132.374%0.74177%0.771SS**  trans81.9159.1154.377.60000119.1
1348V39.1Very low34.4Very low120 Ų120132.8 Ų132.873%0.72777%0.765SS**  cis-146.8136.317.1-162.30000114.5
1349S37.8Very low34.5Very low102 Ų102137 Ų13771%0.71376%0.763SS**  trans68.6159.5154.874.40000121
1350K38.8Very low34.6Very low186 Ų186136.3 Ų136.381%0.80977%0.77SS**  cis-157.6140.611.9-144.8158.8-171.3172.80114.1
1351S40.4Very low34.6Very low118 Ų118131.7 Ų131.783%0.82576%0.764SS**  trans57.6145.3159.243.60000120.4
1352A40.6Very low35.2Very low94 Ų94133.7 Ų133.778%0.77777%0.771SS**  cis-155.3165.7-5.400000110.7
1353P35.8Very low35.4Very low111 Ų111139.9 Ų139.972%0.72178%0.784SS**  trans-129.1157.8-147.941.3-28.4000118.8
1354K38.1Very low35.7Very low205 Ų205140.6 Ų140.689%0.89179%0.785SS**  167.4150.2120.2-90.6168.9-178.7-179.20113.9
1355T33.3Very low35.4Very low136 Ų136143.9 Ų143.983%0.83479%0.788SS**  trans-103.6179.9-179.346.40000110.6
1356P37.4Very low35.5Very low118 Ų118142.1 Ų142.177%0.76679%0.787SS**  cis-143.417714.343.1-23.5000119.4
1357N33.3Very low35.1Very low146 Ų146141.1 Ų141.178%0.78179%0.789SS**  trans126.7139133.2-1539.4000118.2
1358R32.6Very low35.3Very low191 Ų191143.1 Ų143.172%0.72179%0.791SS**  trans43.3119.2165-92-178.9176-153.4-0.5123.2
1359R34.3Very low34.9Very low201 Ų201147.7 Ų147.776%0.75880%0.802SS**  trans53.3123133.1-66179.1177.1-174.6-3.3118.6
1360T31.6Very low34.9Very low140 Ų140147.7 Ų147.786%0.85980%0.802SS**  64127.464.3-51.40000112.2
1361G31.6Very low34.6Very low59 Ų59146.3 Ų146.361%0.60880%0.802SS**  cis168.8-175.7100000111.3
1362N39.7Very low34.3Very low163 Ų163147.1 Ų147.187%0.87280%0.797SS**  trans68.2106.6178.4-48.7-19.4000114.5
1363F33.8Very low34.3Very low202 Ų202147.8 Ų147.889%0.88679%0.792SS**  cis79.66717.1-120.7-75.7000116.8
1364F33.8Very low34.6Very low198 Ų198147.7 Ų147.787%0.86879%0.785SS**SBendtrans-149.8-19.1142.9-164-110.5000115.2
1365F28.7Very low34.6Very low202 Ų202140.8 Ų140.889%0.88676%0.76SS**SBendtrans-87.6129154.2-78.3-84.5000108.7
1366G33.5Very low34.7Very low74 Ų74141.1 Ų141.176%0.76376%0.756SS**PPolyproline II helixtrans-73.2135.8172.100000110.1
1367A31.3Very low34.6Very low91 Ų91139.7 Ų139.775%0.75275%0.747SS**SBendtrans-63.4168172.900000111.6
1368N35.7Very low34.7Very low149 Ų149137.1 Ų137.180%0.79775%0.746SS**  trans80.670.4-178.2-48.2-20.9000115.5
1369F30.5Very low35.1Very low216 Ų216134.9 Ų134.995%0.94775%0.747SS**  -160.8100.3119.1-119.1-78.5000109.6
1370S38Very low34.9Very low102 Ų102137.1 Ų137.171%0.71376%0.756SS**  trans-72.3142.3-171-50.50000112.7D1372S1370-D1372 VanDerWaalsContact C-N 3.32Å
1371L33.4Very low35Very low156 Ų156140.7 Ų140.782%0.81775%0.754SS**SBendtrans-96.318.2174.2-165.857.2000112.4
1372D33Very low34.9Very low136 Ų136143.6 Ų143.673%0.72777%0.765SS**  trans-113.682.5179.9-71.5-70.9000110.7S1370S1370-D1372 VanDerWaalsContact C-N 3.32Å
1373T41.9Very low34.3Very low107 Ų107139 Ų13966%0.65676%0.755SS**SBendtrans-153.3134.6158.1-33.40000110.1
1374L42Very low34.1Very low110 Ų110138.3 Ų138.358%0.57676%0.755SS**  trans54.186.2-171.4-9864.2000113.2F1053F1053-L1374 HydrophobicContact CB-CB 3.85Å; F1053-L1374 WeakPolarHBondContact CB-O 3.34Å; F1053-L1374 HydrophobicContact CD1-CB 4.32Å; F1053-L1374 WeakPolarHBondContact CD1-O 3.17Å; F1053-L1374 HydrophobicContact CD2-CB 3.34Å; F1053-L1374 HydrophobicContact CD2-CD2 3.82Å; F1053-L1374 HydrophobicContact CD2-CG 4.22Å; F1053-L1374 HydrophobicContact CE2-CB 3.95Å; F1053-L1374 HydrophobicContact CG-CB 3.58Å; F1053-L1374 WeakPolarHBondContact CG-O 3.41Å
1375V36.9Very low33.9Very low60 Ų60135.4 Ų135.436%0.36475%0.748SS.*  trans-128.9107.8146.8-63.60000103.5P1055 V1056P1055-V1375 VanDerWaalsContact CD-CG1 3.49Å; P1055-V1375 CarbonylContact O-C 3.2Å; V1056-V1375 HydrophobicContact CB-CG2 4.26Å
1376D35.6Very low33.8Very low143 Ų143132.9 Ų132.977%0.76574%0.742SS**  trans-152118-173.8-152.54000110.4P1055P1055-D1376 PolarHBondContact O-N 2.91Å
1377P36.1Very low33.6Very low88 Ų88134.9 Ų134.957%0.57174%0.736SS**  trans-101.4134.7-170.336-32.3000113.4
1378A34.6Very low33.5Very low91 Ų91137.7 Ų137.775%0.75273%0.733SS**  trans-134.7114.3168.600000111.4
1379L40.3Very low33.1Very low145 Ų145136.6 Ų136.676%0.75973%0.728SS**  trans60.7116.6169.2-49.3173.1000115.7
1380R31.6Very low33.1Very low247 Ų247133.5 Ų133.593%0.93272%0.721SS**  cis45.4682.3-87.7-152170.1-159.3-1.6116.8
1381R33Very low32.7Very low216 Ų216136.8 Ų136.882%0.81573%0.725SS**  trans-151.8152.6133.9-132.3164.4-76.6-156.2-1.8110.4
1382S29Very low32.4Very low120 Ų120134.4 Ų134.484%0.83972%0.721SS**  trans-3.7137173.9-44.60000118.6
1383G27.9Very low32.4Very low65 Ų65136.6 Ų136.667%0.6773%0.727SS**  cis131166.814.400000110.1
1384Q29.9Very low31.8Very low189 Ų189136.9 Ų136.988%0.88373%0.734SS**  trans71.6151.5-171.3-48.71752.800114.6
1385L28.6Very low31.5Very low137 Ų137136.9 Ų136.972%0.71774%0.74SS**  cis-165.2127.2-28.5-110170.6000107.6
1386L27.4Very low31.1Very low148 Ų148138.9 Ų138.978%0.77576%0.757SS**  trans57.4-175.5163.9-54.6169.1000114.3
1387N28.7Very low30.7Very low117 Ų117139.8 Ų139.863%0.62676%0.761SS**  cis-139.3130.1-29.9-129.78.7000106.1
1388Q29.7Very low30.2Very low150 Ų150140.7 Ų140.770%0.70177%0.768SS**  60126.198.7-73.5-163.146.900119
1389N26.9Very low30.1Very low126 Ų126141.8 Ų141.867%0.67477%0.77SS**  trans87.4167.6145.9-53.6-13000120.3
1390N31.1Very low29.7Very low150 Ų150140.7 Ų140.780%0.80277%0.772SS**  trans74.5116.6-162.6-57.1-9.7000112.4
1391E28.9Very low29.8Very low172 Ų172137.6 Ų137.680%0.80477%0.77SS**  cis59.7116.723.2-47.1-170.6106.800111.6
1392S28Very low29.9Very low105 Ų105133.4 Ų133.473%0.73477%0.768SS**  cis-159-164.245.8-61.80000113.1
1393E32.8Very low30.3Very low182 Ų182133.3 Ų133.385%0.8577%0.765SS**  trans78.9102.5157.5-59.5-177.499.200121.2
1394S29.5Very low30.5Very low114 Ų114137.6 Ų137.680%0.79777%0.772SS**  30.9157.7106.8-59.80000122.1
1395P36.1Very low30.4Very low110 Ų110135.9 Ų135.971%0.71477%0.769SS**  cis-142.4-175.7-30.439.9-21.7000115.2
1396S27.7Very low30.6Very low101 Ų101132.4 Ų132.471%0.70677%0.766SS**  trans84.8145.8142.7820000123.5
1397L27.5Very low30.9Very low162 Ų162137.2 Ų137.285%0.84877%0.774SS**  trans73.7103.9151.2-72165000123.5
1398C25.5Very low31.5Very low107 Ų107136.8 Ų136.872%0.72377%0.772SS**  85.5100.9119-157.90000121.7
1399S32.2Very low31.9Very low115 Ų115140.4 Ų140.480%0.80478%0.779SS**  -170.7125.8120.1-81.50000111
1400P32.6Very low32.8Very low122 Ų122138.6 Ų138.679%0.79278%0.776SS**  trans-97.1111.3-170.634.6-32.4000114.4
1401M32.2Very low34.5Very low182 Ų182136.3 Ų136.390%0.89776%0.764SS**  trans-143.4159.1168-70.8-162.18200113.2
1402T35.2Very low36.7Very low127 Ų127131 Ų13178%0.77975%0.746SS**  trans-81.2129.4-164.953.20000116.1
1403P37.3Very low39.3Very low119 Ų119134.5 Ų134.577%0.77374%0.743SS**  trans-102.3112.7156.318.6-0000109.6
1404L32.8Very low42Very low154 Ų154133.4 Ų133.481%0.80674%0.736SS**  cis70.6132.249.6-159.664.7000114
1405D27.9Very low44.9Very low154 Ų154131.2 Ų131.282%0.82472%0.715SS**SBendtrans-50.1148.2-164.8-63-89.8000118.8
1406G33Very low47.5Very low64 Ų64130.1 Ų130.166%0.6670%0.702SS**  trans147.7-42.714300000117.4N1408G1406-N1408 PolarHBondContact O-N 2.96Å
1407W33.2Very low50.6Low248 Ų248128.7 Ų128.794%0.93969%0.687SS**SBendtrans-90.397.1-168-73.5-65000114
1408N41.6Very low53.7Low109 Ų109124.2 Ų124.258%0.58366%0.661SS**SBendtrans178.7-19.8132.8-103.8-49.4000116G1406 S1410 N1411 S1412G1406-N1408 PolarHBondContact O-N 2.96Å; N1408-S1410 PolarHBondContact O-N 2.58Å; N1408-N1411 PolarHBondContact O-N 3.3Å; N1408-S1412 PolarHBondContact O-N 2.98Å; N1408-S1412 VanDerWaalsContact O-N 3.09Å; N1408-S1412 PolarHBondContact O-OG 3.1Å
1409R37.8Very low57.1Low225 Ų225121.4 Ų121.485%0.84964%0.636SS**Hα-helixtrans-62.3-32177.7-63-172.8-166.2-98.52112.5S1412 R1413R1409-S1412 PolarHBondContact O-OG 3.41Å; R1409-R1413 PolarHBondContact O-N 3.47Å
1410S45.8Very low60.1Low88 Ų88119.2 Ų119.262%0.61561%0.61SS**Hα-helixtrans-71.3-38.2176.5-470000112.5N1408 K1414N1408-S1410 PolarHBondContact O-N 2.58Å; S1410-K1414 WeakPolarHBondContact O-CG 3.47Å; S1410-K1414 PolarHBondContact O-N 2.99Å; S1410-K1414 VanDerWaalsContact O-N 3.17Å
1411N67.1Low63.1Low103 Ų103119.1 Ų119.155%0.55159%0.594SS**Hα-helixtrans-76.7-47.6-174.8-15620.5000111.3N1408 R1413 K1414 L1415N1408-N1411 PolarHBondContact O-N 3.3Å; N1411-R1413 VanDerWaalsContact C-N 3.28Å; N1411-R1413 PolarHBondContact O-N 3.13Å; N1411-K1414 PolarHBondContact O-N 3.43Å; N1411-L1415 WeakPolarHBondContact O-CB 3.35Å; N1411-L1415 PolarHBondContact O-N 2.92Å
1412S74.9Confident66.2Low61 Ų61110.6 Ų110.643%0.42755%0.552SS.*Hα-helixtrans-58-36.7174.347.70000113.1N1408 R1409 L1416N1408-S1412 PolarHBondContact O-N 2.98Å; N1408-S1412 VanDerWaalsContact O-N 3.09Å; N1408-S1412 PolarHBondContact O-OG 3.1Å; R1409-S1412 PolarHBondContact O-OG 3.41Å; S1412-L1416 WeakPolarHBondContact O-CB 3.49Å; S1412-L1416 VanDerWaalsContact O-CG 3.27Å; S1412-L1416 WeakPolarHBondContact O-CG 3.49Å; S1412-L1416 PolarHBondContact O-N 3.36Å; S1412-L1416 VanDerWaalsContact O-N 3.08Å
1413R82.4Confident69.1Low178 Ų178104.5 Ų104.567%0.67251%0.514SS*.Hα-helixtrans-69.5-46.3174.3-172.1168.5-178164.1-0.6112.8R1409 N1411 L1415 L1416 D1417R1409-R1413 PolarHBondContact O-N 3.47Å; N1411-R1413 VanDerWaalsContact C-N 3.28Å; N1411-R1413 PolarHBondContact O-N 3.13Å; R1413-L1415 VanDerWaalsContact C-N 3.33Å; R1413-L1415 PolarHBondContact O-N 2.97Å; R1413-L1416 PolarHBondContact O-N 2.93Å; R1413-D1417 IonicContact NE-OD2 3.68Å; R1413-D1417 PolarHBondContact O-N 2.98Å
1414K90.2Very high71.9Confident158 Ų158102.2 Ų102.269%0.68749%0.494SS*.Hα-helixtrans-54.3-49.5173.9-79.3-176.6172-166.20111.3S1410 N1411 L1416 D1417 E1418S1410-K1414 WeakPolarHBondContact O-CG 3.47Å; S1410-K1414 PolarHBondContact O-N 2.99Å; S1410-K1414 VanDerWaalsContact O-N 3.17Å; N1411-K1414 PolarHBondContact O-N 3.43Å; K1414-L1416 VanDerWaalsContact C-N 3.32Å; K1414-L1416 PolarHBondContact O-N 3.32Å; K1414-D1417 PolarHBondContact O-N 3.07Å; K1414-E1418 WeakPolarHBondContact O-CB 3.28Å; K1414-E1418 PolarHBondContact O-N 3.4Å
1415L91Very high74.8Confident68 Ų6896.9 Ų96.936%0.35647%0.465SS..Hα-helixtrans-60.8-37.6178.7-177.563.8000112.8N1411 R1413 R1419 V1449N1411-L1415 WeakPolarHBondContact O-CB 3.35Å; N1411-L1415 PolarHBondContact O-N 2.92Å; R1413-L1415 VanDerWaalsContact C-N 3.33Å; R1413-L1415 PolarHBondContact O-N 2.97Å; L1415-R1419 HydrophobicContact CD1-CG 4.49Å; L1415-R1419 WeakPolarHBondContact O-CB 3.39Å; L1415-R1419 WeakPolarHBondContact O-CG 3.43Å; L1415-R1419 PolarHBondContact O-N 3.07Å; L1415-V1449 HydrophobicContact CD1-CG1 4.18Å
1416L90.1Very high78.1Confident88 Ų8889.8 Ų89.846%0.46143%0.427SS..Hα-helixtrans-72.8-30.7178.5-78.2171.6000114.2S1412 R1413 K1414 R1420 K1459S1412-L1416 WeakPolarHBondContact O-CB 3.49Å; S1412-L1416 VanDerWaalsContact O-CG 3.27Å; S1412-L1416 WeakPolarHBondContact O-CG 3.49Å; S1412-L1416 PolarHBondContact O-N 3.36Å; S1412-L1416 VanDerWaalsContact O-N 3.08Å; R1413-L1416 PolarHBondContact O-N 2.93Å; K1414-L1416 VanDerWaalsContact C-N 3.32Å; K1414-L1416 PolarHBondContact O-N 3.32Å; L1416-R1420 PolarHBondContact O-N 3.4Å; L1416-K1459 PolarHBondContact O-NZ 3.45Å
1417D91.5Very high81.1Confident70 Ų7087.5 Ų87.537%0.37440%0.399SS..Hα-helixtrans-82.7-35.5176.2-71.1-37.1000110.9R1413 K1414 R1420 R1421R1413-D1417 IonicContact NE-OD2 3.68Å; R1413-D1417 PolarHBondContact O-N 2.98Å; K1414-D1417 PolarHBondContact O-N 3.07Å; D1417-R1420 WeakPolarHBondContact O-CA 3.45Å; D1417-R1420 WeakPolarHBondContact O-CB 3.29Å; D1417-R1420 PolarHBondContact O-N 2.82Å; D1417-R1420 IonicContact OD1-NH1 3.7Å; D1417-R1420 PolarHBondContact OD1-NH1 3.02Å; D1417-R1421 PolarHBondContact O-N 3.32Å
1418E93.8Very high84Confident68 Ų6883.5 Ų83.532%0.31839%0.391SS..Hα-helixtrans-66.6-42.6170.4-174.556.6-154.400112.1K1414 R1420 R1421 L1422K1414-E1418 WeakPolarHBondContact O-CB 3.28Å; K1414-E1418 PolarHBondContact O-N 3.4Å; E1418-R1420 PolarHBondContact O-N 3.37Å; E1418-R1420 VanDerWaalsContact O-N 3.08Å; E1418-R1421 WeakPolarHBondContact O-CB 3.4Å; E1418-R1421 PolarHBondContact O-N 2.99Å; E1418-R1421 IonicContact OE1-CZ 3.2Å; E1418-R1421 IonicContact OE1-NE 3.7Å; E1418-R1421 PolarHBondContact OE1-NE 2.94Å; E1418-R1421 IonicContact OE1-NH2 2.68Å; E1418-R1421 PolarHBondContact OE1-NH2 3.02Å; E1418-R1421 IonicContact OE2-NE 2.88Å; E1418-R1421 PolarHBondContact OE2-NE 3.02Å; E1418-L1422 HydrophobicContact CG-CD1 4.48Å; E1418-L1422 PolarHBondContact O-N 3.41Å
1419R96.3Very high86.5Confident48 Ų4885 Ų8518%0.18139%0.392CS..Hα-helixtrans-56.5-22.9167.8-80.7177.7172.5172.53.1113.1L1415 V1423 V1449 F1450 K1459L1415-R1419 HydrophobicContact CD1-CG 4.49Å; L1415-R1419 WeakPolarHBondContact O-CB 3.39Å; L1415-R1419 WeakPolarHBondContact O-CG 3.43Å; L1415-R1419 PolarHBondContact O-N 3.07Å; R1419-V1423 WeakPolarHBondContact O-CG2 3.41Å; R1419-V1449 HydrophobicContact CB-CG1 4.4Å; R1419-V1449 HydrophobicContact CG-CG1 3.38Å; R1419-V1449 PolarHBondContact NE-O 3.4Å; R1419-V1449 PolarHBondContact NH2-O 3.41Å; R1419-F1450 HydrophobicContact CB-CE1 4.15Å; R1419-F1450 HydrophobicContact CB-CZ 3.97Å; R1419-F1450 HydrophobicContact CG-CD1 4.47Å; R1419-F1450 HydrophobicContact CG-CE1 3.77Å; R1419-F1450 HydrophobicContact CG-CZ 3.8Å; R1419-K1459 HydrophobicContact CB-CD 4.26Å; R1419-K1459 HydrophobicContact CB-CG 4.26Å; R1419-K1459 WeakPolarHBondContact O-CE 3.31Å; R1419-K1459 WeakPolarHBondContact O-CG 3.49Å
1420R95.4Very high89.1Confident69 Ų6978.4 Ų78.426%0.2637%0.371SS..Hα-helixtrans-83.8-41.8172.3-175.4175-63113.67.2111.3L1416 D1417 E1418 V1423 M1424 E1462 V1463L1416-R1420 PolarHBondContact O-N 3.4Å; D1417-R1420 WeakPolarHBondContact O-CA 3.45Å; D1417-R1420 WeakPolarHBondContact O-CB 3.29Å; D1417-R1420 PolarHBondContact O-N 2.82Å; D1417-R1420 IonicContact OD1-NH1 3.7Å; D1417-R1420 PolarHBondContact OD1-NH1 3.02Å; E1418-R1420 PolarHBondContact O-N 3.37Å; E1418-R1420 VanDerWaalsContact O-N 3.08Å; R1420-V1423 PolarHBondContact O-N 3.08Å; R1420-M1424 HydrophobicContact CG-CG 4.31Å; R1420-M1424 WeakPolarHBondContact O-CG 3.27Å; R1420-M1424 PolarHBondContact O-N 2.94Å; R1420-M1424 VanDerWaalsContact O-N 3.07Å; R1420-E1462 IonicContact CZ-OE1 3.54Å; R1420-E1462 IonicContact NE-OE1 3.25Å; R1420-E1462 IonicContact NH2-OE1 2.66Å; R1420-E1462 PolarHBondContact NH2-OE1 3.23Å; R1420-V1463 HydrophobicContact CG-CG2 4.05Å
1421R96Very high91.2Very high121 Ų12175.7 Ų75.746%0.45736%0.357SS..Hα-helixtrans-55-54.2176.3-166.4-167.668.971.41.5110.9D1417 E1418 V1423 M1424 E1425D1417-R1421 PolarHBondContact O-N 3.32Å; E1418-R1421 WeakPolarHBondContact O-CB 3.4Å; E1418-R1421 PolarHBondContact O-N 2.99Å; E1418-R1421 IonicContact OE1-CZ 3.2Å; E1418-R1421 IonicContact OE1-NE 3.7Å; E1418-R1421 PolarHBondContact OE1-NE 2.94Å; E1418-R1421 IonicContact OE1-NH2 2.68Å; E1418-R1421 PolarHBondContact OE1-NH2 3.02Å; E1418-R1421 IonicContact OE2-NE 2.88Å; E1418-R1421 PolarHBondContact OE2-NE 3.02Å; R1421-V1423 PolarHBondContact O-N 2.92Å; R1421-M1424 WeakPolarHBondContact O-CB 3.34Å; R1421-M1424 PolarHBondContact O-N 3.05Å; R1421-E1425 IonicContact CZ-OE2 3.25Å; R1421-E1425 IonicContact NH1-OE2 2.89Å; R1421-E1425 PolarHBondContact NH1-OE2 3.43Å; R1421-E1425 IonicContact NH2-OE2 2.71Å; R1421-E1425 PolarHBondContact O-N 3.19Å
1422L96.9Very high92.3Very high2 Ų274.5 Ų74.51%0.0135%0.349CS..Hα-helixtrans-62-39.6-179.1-74174.9000113.5E1418 M1424 E1425 L1426 F1442 H1446 V1449 F1450E1418-L1422 HydrophobicContact CG-CD1 4.48Å; E1418-L1422 PolarHBondContact O-N 3.41Å; L1422-M1424 VanDerWaalsContact C-N 3.27Å; L1422-M1424 PolarHBondContact O-N 3.26Å; L1422-E1425 WeakPolarHBondContact O-CB 3.45Å; L1422-E1425 PolarHBondContact O-N 3.37Å; L1422-L1426 PolarHBondContact O-N 3.4Å; L1422-F1442 HydrophobicContact CB-CE1 4.02Å; L1422-F1442 HydrophobicContact CB-CZ 3.85Å; L1422-F1442 HydrophobicContact CD2-CZ 4.09Å; L1422-F1442 WeakPolarHBondContact O-CZ 3.36Å; L1422-H1446 HydrophobicContact CD1-CB 4.07Å; L1422-H1446 VanDerWaalsContact CD2-CE1 3.49Å; L1422-H1446 WeakPolarHBondContact CD2-CE1 3.33Å; L1422-V1449 HydrophobicContact CD1-CB 3.92Å; L1422-V1449 HydrophobicContact CD1-CG1 3.91Å; L1422-V1449 HydrophobicContact CD1-CG2 3.79Å; L1422-F1450 HydrophobicContact CB-CE2 3.97Å; L1422-F1450 HydrophobicContact CB-CZ 4.5Å; L1422-F1450 HydrophobicContact CD1-CE2 4.01Å
1423V96.6Very high93.2Very high0 Ų079 Ų790%036%0.361CS..Hα-helixtrans-70.7-23.5176.2167.50000112.6R1419 R1420 R1421 F1427 F1450 L1456 K1459 I1460 V1463R1419-V1423 WeakPolarHBondContact O-CG2 3.41Å; R1420-V1423 PolarHBondContact O-N 3.08Å; R1421-V1423 PolarHBondContact O-N 2.92Å; V1423-F1427 HydrophobicContact CG1-CE1 4.07Å; V1423-F1427 HydrophobicContact CG1-CE2 4.17Å; V1423-F1427 HydrophobicContact CG1-CZ 3.8Å; V1423-F1427 WeakPolarHBondContact O-CD1 3.48Å; V1423-F1427 WeakPolarHBondContact O-CG 3.38Å; V1423-F1427 PolarHBondContact O-N 3.09Å; V1423-F1450 HydrophobicContact CG2-CE1 4.3Å; V1423-F1450 HydrophobicContact CG2-CZ 3.81Å; V1423-L1456 HydrophobicContact CG2-CD1 3.69Å; V1423-K1459 HydrophobicContact CB-CG 4.35Å; V1423-K1459 HydrophobicContact CG2-CB 4.05Å; V1423-K1459 HydrophobicContact CG2-CG 3.73Å; V1423-I1460 HydrophobicContact CG1-CG1 4.07Å; V1423-I1460 HydrophobicContact CG2-CG1 4.33Å; V1423-V1463 HydrophobicContact CB-CG2 4.26Å; V1423-V1463 HydrophobicContact CG1-CB 3.69Å; V1423-V1463 HydrophobicContact CG1-CG1 4.01Å; V1423-V1463 HydrophobicContact CG1-CG2 3.83Å
1424M95Very high93.8Very high71 Ų7171.4 Ų71.435%0.3534%0.335SS..Hα-helixtrans-75.9-41.6171.5-60.1-92.548.600111R1420 R1421 L1422 L1426 F1427 E1428 V1463 V1467R1420-M1424 HydrophobicContact CG-CG 4.31Å; R1420-M1424 WeakPolarHBondContact O-CG 3.27Å; R1420-M1424 PolarHBondContact O-N 2.94Å; R1420-M1424 VanDerWaalsContact O-N 3.07Å; R1421-M1424 WeakPolarHBondContact O-CB 3.34Å; R1421-M1424 PolarHBondContact O-N 3.05Å; L1422-M1424 VanDerWaalsContact C-N 3.27Å; L1422-M1424 PolarHBondContact O-N 3.26Å; M1424-L1426 VanDerWaalsContact C-N 3.27Å; M1424-L1426 PolarHBondContact O-N 3.33Å; M1424-F1427 HydrophobicContact CE-CB 4.3Å; M1424-F1427 HydrophobicContact CE-CD2 3.61Å; M1424-F1427 HydrophobicContact CE-CE2 4.36Å; M1424-F1427 HydrophobicContact CE-CG 4.36Å; M1424-F1427 CarbonylContact O-C 3.59Å; M1424-F1427 PolarHBondContact O-N 3.19Å; M1424-E1428 PolarHBondContact O-N 3.28Å; M1424-V1463 HydrophobicContact CE-CG1 3.69Å; M1424-V1463 HydrophobicContact CG-CG1 4.08Å; M1424-V1463 HydrophobicContact SD-CG1 3.63Å; M1424-V1467 HydrophobicContact CE-CG2 3.96Å; M1424-V1467 HydrophobicContact SD-CG2 4.33Å
1425E95.2Very high94Very high42 Ų4266.4 Ų66.420%0.19632%0.32CS..Hα-helixtrans-59.1-36.9172.3-162.5-171.4134.500112.1R1421 L1422 E1428 K1429R1421-E1425 IonicContact CZ-OE2 3.25Å; R1421-E1425 IonicContact NH1-OE2 2.89Å; R1421-E1425 PolarHBondContact NH1-OE2 3.43Å; R1421-E1425 IonicContact NH2-OE2 2.71Å; R1421-E1425 PolarHBondContact O-N 3.19Å; L1422-E1425 WeakPolarHBondContact O-CB 3.45Å; L1422-E1425 PolarHBondContact O-N 3.37Å; E1425-E1428 PolarHBondContact O-N 3.08Å; E1425-K1429 HydrophobicContact CG-CD 4.47Å; E1425-K1429 WeakPolarHBondContact O-CG 3.46Å; E1425-K1429 PolarHBondContact O-N 2.94Å; E1425-K1429 VanDerWaalsContact O-N 3.1Å; E1425-K1429 IonicContact OE1-NZ 2.69Å; E1425-K1429 PolarHBondContact OE1-NZ 3.34Å
1426L96.3Very high94Very high4 Ų466.9 Ų66.92%0.02133%0.334CS..Hα-helixtrans-66.2-37.8171.9-179.860.2000112.5L1422 M1424 E1428 K1429 E1430 P1434 F1442 L1456 I1460L1422-L1426 PolarHBondContact O-N 3.4Å; M1424-L1426 VanDerWaalsContact C-N 3.27Å; M1424-L1426 PolarHBondContact O-N 3.33Å; L1426-E1428 VanDerWaalsContact C-N 3.32Å; L1426-K1429 PolarHBondContact O-N 2.8Å; L1426-E1430 HydrophobicContact CD1-CB 4.21Å; L1426-E1430 HydrophobicContact CD1-CG 3.86Å; L1426-E1430 WeakPolarHBondContact O-CB 3.49Å; L1426-E1430 PolarHBondContact O-N 3.48Å; L1426-P1434 HydrophobicContact CD1-CB 4.06Å; L1426-P1434 HydrophobicContact CD2-CB 4.2Å; L1426-P1434 HydrophobicContact CD2-CG 4.06Å; L1426-P1434 HydrophobicContact CG-CB 4.03Å; L1426-P1434 HydrophobicContact CG-CG 4.21Å; L1426-F1442 HydrophobicContact CB-CD1 4.42Å; L1426-F1442 HydrophobicContact CB-CD2 4.24Å; L1426-F1442 HydrophobicContact CB-CE1 4.21Å; L1426-F1442 HydrophobicContact CB-CE2 4.02Å; L1426-F1442 HydrophobicContact CB-CG 4.44Å; L1426-F1442 HydrophobicContact CB-CZ 4.01Å; L1426-F1442 HydrophobicContact CD1-CB 4.1Å; L1426-F1442 HydrophobicContact CD1-CD2 3.87Å; L1426-F1442 HydrophobicContact CD1-CE2 4.46Å; L1426-F1442 HydrophobicContact CD1-CG 3.92Å; L1426-F1442 HydrophobicContact CD2-CB 4.46Å; L1426-F1442 HydrophobicContact CD2-CD1 3.97Å; L1426-F1442 HydrophobicContact CD2-CE1 4.4Å; L1426-F1442 HydrophobicContact CD2-CG 4.12Å; L1426-F1442 HydrophobicContact CG-CD2 4.48Å; L1426-F1442 HydrophobicContact CG-CG 4.39Å; L1426-L1456 HydrophobicContact CD2-CD1 4.37Å; L1426-I1460 HydrophobicContact CD2-CD1 3.77Å; L1426-I1460 HydrophobicContact CD2-CG1 4.21Å
1427F96.3Very high94.2Very high16 Ų1669.1 Ų69.17%0.0734%0.342CS..Hα-helixtrans-75.3-21.6176.4-67.8-5.5000113.6V1423 M1424 G1431 M1432 P1434 I1460 V1463 R1464V1423-F1427 HydrophobicContact CG1-CE1 4.07Å; V1423-F1427 HydrophobicContact CG1-CE2 4.17Å; V1423-F1427 HydrophobicContact CG1-CZ 3.8Å; V1423-F1427 WeakPolarHBondContact O-CD1 3.48Å; V1423-F1427 WeakPolarHBondContact O-CG 3.38Å; V1423-F1427 PolarHBondContact O-N 3.09Å; M1424-F1427 HydrophobicContact CE-CB 4.3Å; M1424-F1427 HydrophobicContact CE-CD2 3.61Å; M1424-F1427 HydrophobicContact CE-CE2 4.36Å; M1424-F1427 HydrophobicContact CE-CG 4.36Å; M1424-F1427 CarbonylContact O-C 3.59Å; M1424-F1427 PolarHBondContact O-N 3.19Å; F1427-G1431 WeakPolarHBondContact CA-O 3.48Å; F1427-G1431 CarbonylContact O-C 3.16Å; F1427-G1431 WeakPolarHBondContact O-CA 3.26Å; F1427-G1431 PolarHBondContact O-N 3.23Å; F1427-G1431 VanDerWaalsContact O-N 3.08Å; F1427-M1432 HydrophobicContact CD2-SD 3.69Å; F1427-M1432 HydrophobicContact CE2-SD 4.09Å; F1427-M1432 HydrophobicContact CG-SD 4.34Å; F1427-P1434 HydrophobicContact CD1-CG 4.49Å; F1427-P1434 HydrophobicContact CE1-CG 4.26Å; F1427-I1460 HydrophobicContact CE1-CB 4.28Å; F1427-I1460 HydrophobicContact CE1-CG1 4.03Å; F1427-I1460 HydrophobicContact CE1-CG2 3.87Å; F1427-I1460 HydrophobicContact CZ-CB 4.26Å; F1427-I1460 HydrophobicContact CZ-CG1 4.41Å; F1427-I1460 HydrophobicContact CZ-CG2 3.91Å; F1427-V1463 HydrophobicContact CD2-CG1 4.45Å; F1427-V1463 HydrophobicContact CE2-CB 4.27Å; F1427-V1463 HydrophobicContact CE2-CG1 3.97Å; F1427-R1464 HydrophobicContact CE2-CB 3.8Å; F1427-R1464 HydrophobicContact CZ-CB 3.84Å
1428E93.7Very high94.4Very high165 Ų16566 Ų6677%0.77133%0.326SS*.Hα-helixtrans-74.8-39.1172.5-171.8169.9-160.900111M1424 E1425 L1426M1424-E1428 PolarHBondContact O-N 3.28Å; E1425-E1428 PolarHBondContact O-N 3.08Å; L1426-E1428 VanDerWaalsContact C-N 3.32Å
1429K93.6Very high94.4Very high141 Ų14163.1 Ų63.161%0.61331%0.313SS*.Hα-helixtrans-81-41.9178.9-70.4168.9176.9172.90114.3E1425 L1426E1425-K1429 HydrophobicContact CG-CD 4.47Å; E1425-K1429 WeakPolarHBondContact O-CG 3.46Å; E1425-K1429 PolarHBondContact O-N 2.94Å; E1425-K1429 VanDerWaalsContact O-N 3.1Å; E1425-K1429 IonicContact OE1-NZ 2.69Å; E1425-K1429 PolarHBondContact OE1-NZ 3.34Å; L1426-K1429 PolarHBondContact O-N 2.8Å
1430E92.3Very high94.4Very high85 Ų8562.9 Ų62.940%0.39732%0.319SS..Hα-helixtrans-116.85.7-171.4-67.9-86.2142.500113.5L1426 P1434 S1435 A1438L1426-E1430 HydrophobicContact CD1-CB 4.21Å; L1426-E1430 HydrophobicContact CD1-CG 3.86Å; L1426-E1430 WeakPolarHBondContact O-CB 3.49Å; L1426-E1430 PolarHBondContact O-N 3.48Å; E1430-P1434 HydrophobicContact CB-CB 3.71Å; E1430-P1434 HydrophobicContact CG-CB 4.31Å; E1430-S1435 PolarHBondContact OE2-N 3.47Å; E1430-S1435 PolarHBondContact OE2-OG 2.79Å; E1430-A1438 HydrophobicContact CG-CB 3.72Å; E1430-A1438 WeakPolarHBondContact OE1-CB 3.42Å; E1430-A1438 WeakPolarHBondContact OE2-CB 3.28Å
1431G90.6Very high94.3Very high32 Ų3264 Ų6433%0.3333%0.327SS..THydrogen-bonded Turntrans70.1-174.3-175.800000114.4F1427 F1433F1427-G1431 WeakPolarHBondContact CA-O 3.48Å; F1427-G1431 CarbonylContact O-C 3.16Å; F1427-G1431 WeakPolarHBondContact O-CA 3.26Å; F1427-G1431 PolarHBondContact O-N 3.23Å; F1427-G1431 VanDerWaalsContact O-N 3.08Å; G1431-F1433 PolarHBondContact O-N 3.22Å
1432M91Very high94.3Very high77 Ų7758.9 Ų58.938%0.37931%0.308SS..THydrogen-bonded Turntrans-71.81.3-173.9-144.774.666.700114.3F1427 R1464 V1467F1427-M1432 HydrophobicContact CD2-SD 3.69Å; F1427-M1432 HydrophobicContact CE2-SD 4.09Å; F1427-M1432 HydrophobicContact CG-SD 4.34Å; M1432-R1464 HydrophobicContact CG-CG 3.99Å; M1432-R1464 WeakPolarHBondContact O-CD 3.23Å; M1432-R1464 PolarHBondContact O-NH1 2.86Å; M1432-V1467 HydrophobicContact CE-CG1 3.8Å; M1432-V1467 HydrophobicContact SD-CB 4.43Å; M1432-V1467 HydrophobicContact SD-CG1 4.02Å
1433F92.9Very high94.3Very high156 Ų15660.5 Ų60.568%0.68432%0.315SS*.SBendtrans-141.366.9-178.7-70-111.6000109.6G1431 S1435 R1464G1431-F1433 PolarHBondContact O-N 3.22Å; F1433-S1435 PolarHBondContact O-N 3.36Å; F1433-R1464 VanDerWaalsContact CD2-NH1 3.29Å; F1433-R1464 VanDerWaalsContact CE1-NH1 3.3Å
1434P94Very high94.1Very high18 Ų1866.5 Ų66.512%0.11735%0.345CS..  trans-58.4141.3-177.824.8-35.1000111.9L1426 F1427 E1430 I1460L1426-P1434 HydrophobicContact CD1-CB 4.06Å; L1426-P1434 HydrophobicContact CD2-CB 4.2Å; L1426-P1434 HydrophobicContact CD2-CG 4.06Å; L1426-P1434 HydrophobicContact CG-CB 4.03Å; L1426-P1434 HydrophobicContact CG-CG 4.21Å; F1427-P1434 HydrophobicContact CD1-CG 4.49Å; F1427-P1434 HydrophobicContact CE1-CG 4.26Å; E1430-P1434 HydrophobicContact CB-CB 3.71Å; E1430-P1434 HydrophobicContact CG-CB 4.31Å; P1434-I1460 HydrophobicContact CG-CD1 3.94Å
1435S94.4Very high94.1Very high53 Ų5368.9 Ų68.937%0.37136%0.358SS..  trans-61.8157.7-176.167.70000112E1430 F1433 Q1437 A1438 T1439E1430-S1435 PolarHBondContact OE2-N 3.47Å; E1430-S1435 PolarHBondContact OE2-OG 2.79Å; F1433-S1435 PolarHBondContact O-N 3.36Å; S1435-Q1437 PolarHBondContact O-N 3.23Å; S1435-A1438 PolarHBondContact O-N 2.91Å; S1435-A1438 WeakPolarHBondContact OG-CB 3.49Å; S1435-A1438 PolarHBondContact OG-N 3.07Å; S1435-T1439 VanDerWaalsContact O-CB 3.3Å; S1435-T1439 WeakPolarHBondContact O-CB 3.35Å; S1435-T1439 PolarHBondContact O-N 2.72Å; S1435-T1439 PolarHBondContact O-OG1 2.71Å
1436A92.9Very high94Very high79 Ų7968.6 Ų68.665%0.65336%0.356SS*.Hα-helixtrans-61.7-29.2177.600000112.3S1440 K1453A1436-S1440 PolarHBondContact O-N 3.18Å; A1436-S1440 PolarHBondContact O-OG 2.92Å; A1436-K1453 PolarHBondContact O-NZ 3.31Å
1437Q94.4Very high93.9Very high134 Ų13471.3 Ų71.363%0.62638%0.376SS*.Hα-helixtrans-75.3-52.4175.3177.2174.1-13.600111.9S1435 T1439 S1440 Q1441S1435-Q1437 PolarHBondContact O-N 3.23Å; Q1437-T1439 VanDerWaalsContact C-N 3.26Å; Q1437-T1439 PolarHBondContact O-N 2.73Å; Q1437-S1440 WeakPolarHBondContact O-CA 3.43Å; Q1437-S1440 VanDerWaalsContact O-CB 3.27Å; Q1437-S1440 WeakPolarHBondContact O-CB 3.12Å; Q1437-S1440 PolarHBondContact O-N 2.86Å; Q1437-Q1441 PolarHBondContact O-N 3.29Å
1438A94.1Very high93.6Very high5 Ų578.4 Ų78.44%0.04141%0.409CS..Hα-helixtrans-62.3-35.8177.100000112E1430 S1435 S1440 Q1441 F1442E1430-A1438 HydrophobicContact CG-CB 3.72Å; E1430-A1438 WeakPolarHBondContact OE1-CB 3.42Å; E1430-A1438 WeakPolarHBondContact OE2-CB 3.28Å; S1435-A1438 PolarHBondContact O-N 2.91Å; S1435-A1438 WeakPolarHBondContact OG-CB 3.49Å; S1435-A1438 PolarHBondContact OG-N 3.07Å; A1438-S1440 VanDerWaalsContact C-N 3.25Å; A1438-S1440 PolarHBondContact O-N 2.86Å; A1438-Q1441 PolarHBondContact O-N 2.67Å; A1438-F1442 WeakPolarHBondContact O-CB 3.29Å; A1438-F1442 PolarHBondContact O-N 2.75Å
1439T95.3Very high93.6Very high8 Ų871.1 Ų71.15%0.04938%0.376CS..Hα-helixtrans-63.1-29.2171.6-53.40000112.3S1435 Q1437 Q1443 K1453 L1456 Q1457 I1460S1435-T1439 VanDerWaalsContact O-CB 3.3Å; S1435-T1439 WeakPolarHBondContact O-CB 3.35Å; S1435-T1439 PolarHBondContact O-N 2.72Å; S1435-T1439 PolarHBondContact O-OG1 2.71Å; Q1437-T1439 VanDerWaalsContact C-N 3.26Å; Q1437-T1439 PolarHBondContact O-N 2.73Å; T1439-Q1443 WeakPolarHBondContact O-CB 3.48Å; T1439-Q1443 PolarHBondContact O-N 3.48Å; T1439-K1453 HydrophobicContact CG2-CG 4.38Å; T1439-L1456 HydrophobicContact CG2-CD2 3.87Å; T1439-L1456 HydrophobicContact CG2-CG 4.29Å; T1439-L1456 WeakPolarHBondContact O-CD2 3.27Å; T1439-Q1457 HydrophobicContact CG2-CG 4.13Å; T1439-I1460 HydrophobicContact CG2-CD1 3.98Å
1440S94.7Very high93.7Very high43 Ų4364.4 Ų64.430%0.30135%0.347SS..Hα-helixtrans-72.3-52.2168.6-67.40000111.2A1436 Q1437 A1438 F1442 Q1443 M1444 K1453A1436-S1440 PolarHBondContact O-N 3.18Å; A1436-S1440 PolarHBondContact O-OG 2.92Å; Q1437-S1440 WeakPolarHBondContact O-CA 3.43Å; Q1437-S1440 VanDerWaalsContact O-CB 3.27Å; Q1437-S1440 WeakPolarHBondContact O-CB 3.12Å; Q1437-S1440 PolarHBondContact O-N 2.86Å; A1438-S1440 VanDerWaalsContact C-N 3.25Å; A1438-S1440 PolarHBondContact O-N 2.86Å; S1440-F1442 PolarHBondContact O-N 2.74Å; S1440-Q1443 WeakPolarHBondContact O-CB 3.32Å; S1440-Q1443 PolarHBondContact O-N 3.17Å; S1440-M1444 WeakPolarHBondContact O-CG 3.46Å; S1440-M1444 PolarHBondContact O-N 3.2Å; S1440-K1453 PolarHBondContact OG-NZ 2.81Å
1441Q94.1Very high93.8Very high91 Ų9164.5 Ų64.543%0.42536%0.355SS..Hα-helixtrans-59.3-47.1-176-70.2174.9-23.100111.7Q1437 A1438 Q1443 M1444 I1445Q1437-Q1441 PolarHBondContact O-N 3.29Å; A1438-Q1441 PolarHBondContact O-N 2.67Å; Q1441-Q1443 VanDerWaalsContact C-N 3.26Å; Q1441-Q1443 PolarHBondContact O-N 3.33Å; Q1441-M1444 HydrophobicContact CG-CE 4.29Å; Q1441-M1444 PolarHBondContact O-N 2.88Å; Q1441-M1444 VanDerWaalsContact O-N 3.13Å; Q1441-I1445 VanDerWaalsContact O-CG1 3.29Å; Q1441-I1445 WeakPolarHBondContact O-CG1 3.2Å; Q1441-I1445 PolarHBondContact O-N 2.58Å
1442F96.5Very high93.9Very high15 Ų1565 Ų657%0.06636%0.355CS..Hα-helixtrans-60.9-33175.5-164.4-92.7000112.8L1422 L1426 A1438 S1440 H1446 F1450 L1456L1422-F1442 HydrophobicContact CB-CE1 4.02Å; L1422-F1442 HydrophobicContact CB-CZ 3.85Å; L1422-F1442 HydrophobicContact CD2-CZ 4.09Å; L1422-F1442 WeakPolarHBondContact O-CZ 3.36Å; L1426-F1442 HydrophobicContact CB-CD1 4.42Å; L1426-F1442 HydrophobicContact CB-CD2 4.24Å; L1426-F1442 HydrophobicContact CB-CE1 4.21Å; L1426-F1442 HydrophobicContact CB-CE2 4.02Å; L1426-F1442 HydrophobicContact CB-CG 4.44Å; L1426-F1442 HydrophobicContact CB-CZ 4.01Å; L1426-F1442 HydrophobicContact CD1-CB 4.1Å; L1426-F1442 HydrophobicContact CD1-CD2 3.87Å; L1426-F1442 HydrophobicContact CD1-CE2 4.46Å; L1426-F1442 HydrophobicContact CD1-CG 3.92Å; L1426-F1442 HydrophobicContact CD2-CB 4.46Å; L1426-F1442 HydrophobicContact CD2-CD1 3.97Å; L1426-F1442 HydrophobicContact CD2-CE1 4.4Å; L1426-F1442 HydrophobicContact CD2-CG 4.12Å; L1426-F1442 HydrophobicContact CG-CD2 4.48Å; L1426-F1442 HydrophobicContact CG-CG 4.39Å; A1438-F1442 WeakPolarHBondContact O-CB 3.29Å; A1438-F1442 PolarHBondContact O-N 2.75Å; S1440-F1442 PolarHBondContact O-N 2.74Å; F1442-H1446 AromaticContact CD1-CD2 3.85Å; F1442-H1446 AromaticContact CD2-CD2 3.78Å; F1442-H1446 AromaticContact CE1-CD2 3.54Å; F1442-H1446 AromaticContact CE2-CD2 3.46Å; F1442-H1446 VanDerWaalsContact CE2-CD2 3.46Å; F1442-H1446 WeakPolarHBondContact CE2-CD2 3.47Å; F1442-H1446 AromaticContact CE2-NE2 3.54Å; F1442-H1446 AromaticContact CG-CD2 3.97Å; F1442-H1446 AromaticContact CZ-CD2 3.32Å; F1442-H1446 WeakPolarHBondContact CZ-CD2 3.49Å; F1442-H1446 AromaticContact CZ-NE2 3.68Å; F1442-H1446 WeakPolarHBondContact O-CB 3.49Å; F1442-H1446 PolarHBondContact O-CD2 3.31Å; F1442-H1446 PolarHBondContact O-N 2.86Å; F1442-F1450 HydrophobicContact CE1-CE2 4.33Å; F1442-L1456 HydrophobicContact CB-CD2 4.41Å; F1442-L1456 HydrophobicContact CD1-CD1 4.06Å; F1442-L1456 HydrophobicContact CD1-CD2 3.91Å; F1442-L1456 HydrophobicContact CE1-CD1 4.28Å
1443Q95.6Very high94Very high35 Ų3564.1 Ų64.116%0.16435%0.35CS..Hα-helixtrans-75-32175.5-170.7-95.5-46.200113T1439 S1440 Q1441 H1446 S1447 F1450 L1456T1439-Q1443 WeakPolarHBondContact O-CB 3.48Å; T1439-Q1443 PolarHBondContact O-N 3.48Å; S1440-Q1443 WeakPolarHBondContact O-CB 3.32Å; S1440-Q1443 PolarHBondContact O-N 3.17Å; Q1441-Q1443 VanDerWaalsContact C-N 3.26Å; Q1441-Q1443 PolarHBondContact O-N 3.33Å; Q1443-H1446 CarbonylContact O-C 3.51Å; Q1443-S1447 WeakPolarHBondContact O-CA 3.13Å; Q1443-S1447 WeakPolarHBondContact O-CB 3.42Å; Q1443-S1447 PolarHBondContact O-N 3.01Å; Q1443-S1447 VanDerWaalsContact O-N 3.1Å; Q1443-F1450 HydrophobicContact CG-CB 4.21Å; Q1443-F1450 WeakPolarHBondContact CG-O 3.18Å; Q1443-F1450 PolarHBondContact NE2-O 3.02Å; Q1443-L1456 HydrophobicContact CB-CD2 3.82Å
1444M93.8Very high94Very high126 Ų12663.6 Ų63.662%0.62135%0.349SS*.Hα-helixtrans-67.6-47.5171.8-64.2-170.2-62.400110.7S1440 Q1441 S1447S1440-M1444 WeakPolarHBondContact O-CG 3.46Å; S1440-M1444 PolarHBondContact O-N 3.2Å; Q1441-M1444 HydrophobicContact CG-CE 4.29Å; Q1441-M1444 PolarHBondContact O-N 2.88Å; Q1441-M1444 VanDerWaalsContact O-N 3.13Å; M1444-S1447 WeakPolarHBondContact O-CB 3.43Å; M1444-S1447 PolarHBondContact O-N 3.5Å; M1444-S1447 PolarHBondContact O-OG 2.75Å
1445I94.6Very high94.1Very high122 Ų12265.5 Ų65.563%0.62636%0.358SS*.Hα-helixtrans-61.1-45.9179.4-65163.4000111.3Q1441Q1441-I1445 VanDerWaalsContact O-CG1 3.29Å; Q1441-I1445 WeakPolarHBondContact O-CG1 3.2Å; Q1441-I1445 PolarHBondContact O-N 2.58Å
1446H93.5Very high94.2Very high35 Ų3563 Ų6316%0.16234%0.34CS..THydrogen-bonded Turntrans-104.638.1-179.3-59.2-66.5000112.8L1422 F1442 Q1443 E1448 V1449 F1450L1422-H1446 HydrophobicContact CD1-CB 4.07Å; L1422-H1446 VanDerWaalsContact CD2-CE1 3.49Å; L1422-H1446 WeakPolarHBondContact CD2-CE1 3.33Å; F1442-H1446 AromaticContact CD1-CD2 3.85Å; F1442-H1446 AromaticContact CD2-CD2 3.78Å; F1442-H1446 AromaticContact CE1-CD2 3.54Å; F1442-H1446 AromaticContact CE2-CD2 3.46Å; F1442-H1446 VanDerWaalsContact CE2-CD2 3.46Å; F1442-H1446 WeakPolarHBondContact CE2-CD2 3.47Å; F1442-H1446 AromaticContact CE2-NE2 3.54Å; F1442-H1446 AromaticContact CG-CD2 3.97Å; F1442-H1446 AromaticContact CZ-CD2 3.32Å; F1442-H1446 WeakPolarHBondContact CZ-CD2 3.49Å; F1442-H1446 AromaticContact CZ-NE2 3.68Å; F1442-H1446 WeakPolarHBondContact O-CB 3.49Å; F1442-H1446 PolarHBondContact O-CD2 3.31Å; F1442-H1446 PolarHBondContact O-N 2.86Å; Q1443-H1446 CarbonylContact O-C 3.51Å; H1446-E1448 VanDerWaalsContact C-N 3.3Å; H1446-E1448 PolarHBondContact O-N 2.66Å; H1446-V1449 PolarHBondContact O-N 2.86Å; H1446-F1450 HydrophobicContact CB-CD2 4.1Å; H1446-F1450 PolarHBondContact O-N 3.39Å
1447S92.7Very high94.3Very high61 Ų6163.8 Ų63.843%0.42733%0.331SS..THydrogen-bonded Turntrans-60.7-33.7-17646.60000113.6Q1443 M1444 V1449 F1450 P1451Q1443-S1447 WeakPolarHBondContact O-CA 3.13Å; Q1443-S1447 WeakPolarHBondContact O-CB 3.42Å; Q1443-S1447 PolarHBondContact O-N 3.01Å; Q1443-S1447 VanDerWaalsContact O-N 3.1Å; M1444-S1447 WeakPolarHBondContact O-CB 3.43Å; M1444-S1447 PolarHBondContact O-N 3.5Å; M1444-S1447 PolarHBondContact O-OG 2.75Å; S1447-V1449 VanDerWaalsContact C-N 3.28Å; S1447-V1449 PolarHBondContact O-N 3.06Å; S1447-F1450 CarbonylContact O-C 3.55Å; S1447-F1450 PolarHBondContact O-N 2.76Å; S1447-P1451 VanDerWaalsContact O-CA 3.28Å; S1447-P1451 WeakPolarHBondContact O-CA 3.48Å; S1447-P1451 WeakPolarHBondContact O-CD 3.31Å; S1447-P1451 VanDerWaalsContact O-N 3.08Å
1448E91.9Very high94.3Very high166 Ų16662.9 Ų62.978%0.77633%0.329SS*.THydrogen-bonded Turntrans-59.8-37.2172.472.9-177.1165.400112.5H1446H1446-E1448 VanDerWaalsContact C-N 3.3Å; H1446-E1448 PolarHBondContact O-N 2.66Å
1449V93.6Very high94.4Very high12 Ų1263.2 Ų63.27%0.07333%0.33CS..THydrogen-bonded Turntrans-88.1-32.1-179.2-174.30000110.6L1415 R1419 L1422 H1446 S1447L1415-V1449 HydrophobicContact CD1-CG1 4.18Å; R1419-V1449 HydrophobicContact CB-CG1 4.4Å; R1419-V1449 HydrophobicContact CG-CG1 3.38Å; R1419-V1449 PolarHBondContact NE-O 3.4Å; R1419-V1449 PolarHBondContact NH2-O 3.41Å; L1422-V1449 HydrophobicContact CD1-CB 3.92Å; L1422-V1449 HydrophobicContact CD1-CG1 3.91Å; L1422-V1449 HydrophobicContact CD1-CG2 3.79Å; H1446-V1449 PolarHBondContact O-N 2.86Å; S1447-V1449 VanDerWaalsContact C-N 3.28Å; S1447-V1449 PolarHBondContact O-N 3.06Å
1450F95.7Very high94.4Very high0 Ų063.9 Ų63.90%033%0.333CS..  trans-127.878.3179.4-59.6-80.8000111.7R1419 L1422 V1423 F1442 Q1443 H1446 S1447 A1452 I1455 L1456 K1459R1419-F1450 HydrophobicContact CB-CE1 4.15Å; R1419-F1450 HydrophobicContact CB-CZ 3.97Å; R1419-F1450 HydrophobicContact CG-CD1 4.47Å; R1419-F1450 HydrophobicContact CG-CE1 3.77Å; R1419-F1450 HydrophobicContact CG-CZ 3.8Å; L1422-F1450 HydrophobicContact CB-CE2 3.97Å; L1422-F1450 HydrophobicContact CB-CZ 4.5Å; L1422-F1450 HydrophobicContact CD1-CE2 4.01Å; V1423-F1450 HydrophobicContact CG2-CE1 4.3Å; V1423-F1450 HydrophobicContact CG2-CZ 3.81Å; F1442-F1450 HydrophobicContact CE1-CE2 4.33Å; Q1443-F1450 HydrophobicContact CG-CB 4.21Å; Q1443-F1450 WeakPolarHBondContact CG-O 3.18Å; Q1443-F1450 PolarHBondContact NE2-O 3.02Å; H1446-F1450 HydrophobicContact CB-CD2 4.1Å; H1446-F1450 PolarHBondContact O-N 3.39Å; S1447-F1450 CarbonylContact O-C 3.55Å; S1447-F1450 PolarHBondContact O-N 2.76Å; F1450-A1452 PolarHBondContact O-N 2.9Å; F1450-I1455 HydrophobicContact CD1-CG2 4.13Å; F1450-L1456 HydrophobicContact CB-CB 4.19Å; F1450-L1456 HydrophobicContact CD1-CB 3.83Å; F1450-L1456 HydrophobicContact CD1-CD1 3.94Å; F1450-L1456 HydrophobicContact CD1-CG 4.5Å; F1450-L1456 HydrophobicContact CD2-CD1 4.1Å; F1450-L1456 HydrophobicContact CE1-CB 4.42Å; F1450-L1456 HydrophobicContact CE1-CD1 3.82Å; F1450-L1456 HydrophobicContact CE2-CD1 3.99Å; F1450-L1456 HydrophobicContact CG-CB 4.05Å; F1450-L1456 HydrophobicContact CG-CD1 4.08Å; F1450-L1456 HydrophobicContact CZ-CD1 3.85Å; F1450-K1459 HydrophobicContact CE1-CB 3.95Å; F1450-K1459 HydrophobicContact CE1-CG 4.11Å; F1450-K1459 HydrophobicContact CZ-CG 4.47Å
1451P93.2Very high94.5Very high86 Ų8669.8 Ų69.856%0.55835%0.349SS*.SBendtrans-60.7-17.4-177-28.736.6000115.8S1447S1447-P1451 VanDerWaalsContact O-CA 3.28Å; S1447-P1451 WeakPolarHBondContact O-CA 3.48Å; S1447-P1451 WeakPolarHBondContact O-CD 3.31Å; S1447-P1451 VanDerWaalsContact O-N 3.08Å
1452A93.2Very high94.5Very high42 Ų4268.8 Ų68.835%0.34734%0.344SS..SBendtrans-141.6143.9175.400000111.5F1450 Q1454 I1455 L1456F1450-A1452 PolarHBondContact O-N 2.9Å; A1452-Q1454 PolarHBondContact O-N 2.69Å; A1452-Q1454 VanDerWaalsContact O-N 3.17Å; A1452-I1455 HydrophobicContact CB-CD1 4.25Å; A1452-I1455 HydrophobicContact CB-CG1 4.31Å; A1452-I1455 WeakPolarHBondContact O-CB 3.05Å; A1452-I1455 PolarHBondContact O-N 3.12Å; A1452-L1456 PolarHBondContact O-N 3.49Å
1453K93.1Very high94.4Very high60 Ų6068.2 Ų68.226%0.26134%0.342SS..Hα-helixtrans-54.4-34.1178.9-169.7170.9-176.3171.30113.6A1436 T1439 S1440 I1455 L1456 Q1457A1436-K1453 PolarHBondContact O-NZ 3.31Å; T1439-K1453 HydrophobicContact CG2-CG 4.38Å; S1440-K1453 PolarHBondContact OG-NZ 2.81Å; K1453-I1455 VanDerWaalsContact C-N 3.31Å; K1453-I1455 PolarHBondContact O-N 3.35Å; K1453-L1456 PolarHBondContact O-N 3.01Å; K1453-Q1457 HydrophobicContact CG-CG 4.38Å; K1453-Q1457 WeakPolarHBondContact O-CB 3.08Å; K1453-Q1457 WeakPolarHBondContact O-CG 2.98Å; K1453-Q1457 PolarHBondContact O-N 3.46Å
1454Q93.6Very high94.4Very high144 Ų14469.4 Ų69.467%0.67335%0.345SS*.Hα-helixtrans-59.2-38.7173.9-65.4-175.90.800112.7A1452 Q1457 L1458A1452-Q1454 PolarHBondContact O-N 2.69Å; A1452-Q1454 VanDerWaalsContact O-N 3.17Å; Q1454-Q1457 PolarHBondContact O-N 3.1Å; Q1454-L1458 WeakPolarHBondContact O-CB 3.49Å; Q1454-L1458 VanDerWaalsContact O-CG 3.26Å; Q1454-L1458 WeakPolarHBondContact O-CG 3.43Å; Q1454-L1458 PolarHBondContact O-N 3.4Å
1455I94.3Very high94.2Very high59 Ų5969.2 Ų69.230%0.30334%0.343SS..Hα-helixtrans-67-42179.5-55.6173.6000110.1F1450 A1452 K1453 K1459F1450-I1455 HydrophobicContact CD1-CG2 4.13Å; A1452-I1455 HydrophobicContact CB-CD1 4.25Å; A1452-I1455 HydrophobicContact CB-CG1 4.31Å; A1452-I1455 WeakPolarHBondContact O-CB 3.05Å; A1452-I1455 PolarHBondContact O-N 3.12Å; K1453-I1455 VanDerWaalsContact C-N 3.31Å; K1453-I1455 PolarHBondContact O-N 3.35Å; I1455-K1459 WeakPolarHBondContact O-CB 3.45Å; I1455-K1459 PolarHBondContact O-N 2.87Å
1456L96.4Very high94.2Very high0 Ų068.8 Ų68.80%034%0.336CS..Hα-helixtrans-64.4-47.1174.8179.860.6000111.1V1423 L1426 T1439 F1442 Q1443 F1450 A1452 K1453 L1458 K1459 I1460V1423-L1456 HydrophobicContact CG2-CD1 3.69Å; L1426-L1456 HydrophobicContact CD2-CD1 4.37Å; T1439-L1456 HydrophobicContact CG2-CD2 3.87Å; T1439-L1456 HydrophobicContact CG2-CG 4.29Å; T1439-L1456 WeakPolarHBondContact O-CD2 3.27Å; F1442-L1456 HydrophobicContact CB-CD2 4.41Å; F1442-L1456 HydrophobicContact CD1-CD1 4.06Å; F1442-L1456 HydrophobicContact CD1-CD2 3.91Å; F1442-L1456 HydrophobicContact CE1-CD1 4.28Å; Q1443-L1456 HydrophobicContact CB-CD2 3.82Å; F1450-L1456 HydrophobicContact CB-CB 4.19Å; F1450-L1456 HydrophobicContact CD1-CB 3.83Å; F1450-L1456 HydrophobicContact CD1-CD1 3.94Å; F1450-L1456 HydrophobicContact CD1-CG 4.5Å; F1450-L1456 HydrophobicContact CD2-CD1 4.1Å; F1450-L1456 HydrophobicContact CE1-CB 4.42Å; F1450-L1456 HydrophobicContact CE1-CD1 3.82Å; F1450-L1456 HydrophobicContact CE2-CD1 3.99Å; F1450-L1456 HydrophobicContact CG-CB 4.05Å; F1450-L1456 HydrophobicContact CG-CD1 4.08Å; F1450-L1456 HydrophobicContact CZ-CD1 3.85Å; A1452-L1456 PolarHBondContact O-N 3.49Å; K1453-L1456 PolarHBondContact O-N 3.01Å; L1456-L1458 PolarHBondContact O-N 3.44Å; L1456-K1459 PolarHBondContact O-N 3.02Å; L1456-K1459 VanDerWaalsContact O-N 3.1Å; L1456-I1460 HydrophobicContact CD1-CD1 4.19Å; L1456-I1460 HydrophobicContact CD1-CG1 4.31Å; L1456-I1460 HydrophobicContact CG-CD1 3.86Å; L1456-I1460 HydrophobicContact CG-CG1 4.43Å; L1456-I1460 WeakPolarHBondContact O-CB 3.38Å; L1456-I1460 WeakPolarHBondContact O-CG1 3.29Å; L1456-I1460 PolarHBondContact O-N 3.18Å
1457Q95.2Very high93.9Very high95 Ų9568.7 Ų68.744%0.44434%0.338SS..Hα-helixtrans-60.7-41.3177.7-73.9173.1-3000112.9T1439 K1453 Q1454 K1459 R1461T1439-Q1457 HydrophobicContact CG2-CG 4.13Å; K1453-Q1457 HydrophobicContact CG-CG 4.38Å; K1453-Q1457 WeakPolarHBondContact O-CB 3.08Å; K1453-Q1457 WeakPolarHBondContact O-CG 2.98Å; K1453-Q1457 PolarHBondContact O-N 3.46Å; Q1454-Q1457 PolarHBondContact O-N 3.1Å; Q1457-K1459 VanDerWaalsContact C-N 3.34Å; Q1457-R1461 WeakPolarHBondContact O-CB 3.24Å; Q1457-R1461 PolarHBondContact O-N 3.04Å
1458L94.7Very high93.5Very high115 Ų11569.2 Ų69.260%0.60234%0.335SS*.Hα-helixtrans-64.6-37.8173.6-73.4170.4000111.7Q1454 L1456 R1461 E1462Q1454-L1458 WeakPolarHBondContact O-CB 3.49Å; Q1454-L1458 VanDerWaalsContact O-CG 3.26Å; Q1454-L1458 WeakPolarHBondContact O-CG 3.43Å; Q1454-L1458 PolarHBondContact O-N 3.4Å; L1456-L1458 PolarHBondContact O-N 3.44Å; L1458-R1461 WeakPolarHBondContact O-CB 3.31Å; L1458-R1461 PolarHBondContact O-N 3.44Å; L1458-E1462 PolarHBondContact O-N 3.31Å
1459K96.3Very high93Very high12 Ų1264.4 Ų64.45%0.05232%0.323CS..Hα-helixtrans-72.6-40.1177.9-166.664.9175.7-177.10112.6L1416 R1419 V1423 F1450 I1455 L1456 Q1457 R1461 E1462 V1463L1416-K1459 PolarHBondContact O-NZ 3.45Å; R1419-K1459 HydrophobicContact CB-CD 4.26Å; R1419-K1459 HydrophobicContact CB-CG 4.26Å; R1419-K1459 WeakPolarHBondContact O-CE 3.31Å; R1419-K1459 WeakPolarHBondContact O-CG 3.49Å; V1423-K1459 HydrophobicContact CB-CG 4.35Å; V1423-K1459 HydrophobicContact CG2-CB 4.05Å; V1423-K1459 HydrophobicContact CG2-CG 3.73Å; F1450-K1459 HydrophobicContact CE1-CB 3.95Å; F1450-K1459 HydrophobicContact CE1-CG 4.11Å; F1450-K1459 HydrophobicContact CZ-CG 4.47Å; I1455-K1459 WeakPolarHBondContact O-CB 3.45Å; I1455-K1459 PolarHBondContact O-N 2.87Å; L1456-K1459 PolarHBondContact O-N 3.02Å; L1456-K1459 VanDerWaalsContact O-N 3.1Å; Q1457-K1459 VanDerWaalsContact C-N 3.34Å; K1459-R1461 PolarHBondContact O-N 3.21Å; K1459-E1462 VanDerWaalsContact CD-OE2 3.29Å; K1459-E1462 WeakPolarHBondContact CD-OE2 3.31Å; K1459-E1462 WeakPolarHBondContact CE-OE2 3.44Å; K1459-E1462 VanDerWaalsContact NZ-CD 3.26Å; K1459-E1462 IonicContact NZ-OE1 2.86Å; K1459-E1462 PolarHBondContact NZ-OE1 3.13Å; K1459-E1462 VanDerWaalsContact NZ-OE1 3.08Å; K1459-E1462 IonicContact NZ-OE2 3.18Å; K1459-E1462 PolarHBondContact NZ-OE2 2.97Å; K1459-E1462 PolarHBondContact O-N 3.28Å; K1459-V1463 HydrophobicContact CD-CG2 4.34Å; K1459-V1463 HydrophobicContact CG-CG2 4.31Å; K1459-V1463 WeakPolarHBondContact O-CB 3.24Å; K1459-V1463 WeakPolarHBondContact O-CG2 3.46Å; K1459-V1463 PolarHBondContact O-N 2.87Å
1460I96.2Very high92.2Very high22 Ų2267.7 Ų67.711%0.11335%0.347CS..Hα-helixtrans-51.5-47.9166.6-75.3166.8000109.4V1423 L1426 F1427 P1434 T1439 L1456 R1464V1423-I1460 HydrophobicContact CG1-CG1 4.07Å; V1423-I1460 HydrophobicContact CG2-CG1 4.33Å; L1426-I1460 HydrophobicContact CD2-CD1 3.77Å; L1426-I1460 HydrophobicContact CD2-CG1 4.21Å; F1427-I1460 HydrophobicContact CE1-CB 4.28Å; F1427-I1460 HydrophobicContact CE1-CG1 4.03Å; F1427-I1460 HydrophobicContact CE1-CG2 3.87Å; F1427-I1460 HydrophobicContact CZ-CB 4.26Å; F1427-I1460 HydrophobicContact CZ-CG1 4.41Å; F1427-I1460 HydrophobicContact CZ-CG2 3.91Å; P1434-I1460 HydrophobicContact CG-CD1 3.94Å; T1439-I1460 HydrophobicContact CG2-CD1 3.98Å; L1456-I1460 HydrophobicContact CD1-CD1 4.19Å; L1456-I1460 HydrophobicContact CD1-CG1 4.31Å; L1456-I1460 HydrophobicContact CG-CD1 3.86Å; L1456-I1460 HydrophobicContact CG-CG1 4.43Å; L1456-I1460 WeakPolarHBondContact O-CB 3.38Å; L1456-I1460 WeakPolarHBondContact O-CG1 3.29Å; L1456-I1460 PolarHBondContact O-N 3.18Å; I1460-R1464 WeakPolarHBondContact O-CB 3.49Å; I1460-R1464 PolarHBondContact O-N 3.43Å
1461R95.6Very high90.9Very high167 Ų16773.3 Ų73.363%0.6338%0.381SS*.Hα-helixtrans-64.3-44.1178.4-158.8175.2-168.4168.73.7113Q1457 L1458 K1459 Q1465Q1457-R1461 WeakPolarHBondContact O-CB 3.24Å; Q1457-R1461 PolarHBondContact O-N 3.04Å; L1458-R1461 WeakPolarHBondContact O-CB 3.31Å; L1458-R1461 PolarHBondContact O-N 3.44Å; K1459-R1461 PolarHBondContact O-N 3.21Å; R1461-Q1465 VanDerWaalsContact O-CB 3.28Å; R1461-Q1465 WeakPolarHBondContact O-CB 3.49Å; R1461-Q1465 WeakPolarHBondContact O-CG 3.49Å; R1461-Q1465 PolarHBondContact O-N 3.02Å
1462E95.3Very high89.2Confident71 Ų7174.6 Ų74.633%0.33238%0.379SS..Hα-helixtrans-57.7-56.5174.3-179.4-151.6128.300111.3R1420 L1458 K1459 Q1465 K1466R1420-E1462 IonicContact CZ-OE1 3.54Å; R1420-E1462 IonicContact NE-OE1 3.25Å; R1420-E1462 IonicContact NH2-OE1 2.66Å; R1420-E1462 PolarHBondContact NH2-OE1 3.23Å; L1458-E1462 PolarHBondContact O-N 3.31Å; K1459-E1462 VanDerWaalsContact CD-OE2 3.29Å; K1459-E1462 WeakPolarHBondContact CD-OE2 3.31Å; K1459-E1462 WeakPolarHBondContact CE-OE2 3.44Å; K1459-E1462 VanDerWaalsContact NZ-CD 3.26Å; K1459-E1462 IonicContact NZ-OE1 2.86Å; K1459-E1462 PolarHBondContact NZ-OE1 3.13Å; K1459-E1462 VanDerWaalsContact NZ-OE1 3.08Å; K1459-E1462 IonicContact NZ-OE2 3.18Å; K1459-E1462 PolarHBondContact NZ-OE2 2.97Å; K1459-E1462 PolarHBondContact O-N 3.28Å; E1462-Q1465 PolarHBondContact O-N 3.08Å; E1462-K1466 PolarHBondContact O-N 3.2Å
1463V94.9Very high86.5Confident3 Ų377 Ų772%0.01839%0.393CS..Hα-helixtrans-67-43.8-171.8176.50000110.1R1420 V1423 M1424 F1427 K1459 K1466 V1467R1420-V1463 HydrophobicContact CG-CG2 4.05Å; V1423-V1463 HydrophobicContact CB-CG2 4.26Å; V1423-V1463 HydrophobicContact CG1-CB 3.69Å; V1423-V1463 HydrophobicContact CG1-CG1 4.01Å; V1423-V1463 HydrophobicContact CG1-CG2 3.83Å; M1424-V1463 HydrophobicContact CE-CG1 3.69Å; M1424-V1463 HydrophobicContact CG-CG1 4.08Å; M1424-V1463 HydrophobicContact SD-CG1 3.63Å; F1427-V1463 HydrophobicContact CD2-CG1 4.45Å; F1427-V1463 HydrophobicContact CE2-CB 4.27Å; F1427-V1463 HydrophobicContact CE2-CG1 3.97Å; K1459-V1463 HydrophobicContact CD-CG2 4.34Å; K1459-V1463 HydrophobicContact CG-CG2 4.31Å; K1459-V1463 WeakPolarHBondContact O-CB 3.24Å; K1459-V1463 WeakPolarHBondContact O-CG2 3.46Å; K1459-V1463 PolarHBondContact O-N 2.87Å; V1463-K1466 WeakPolarHBondContact O-CB 3.48Å; V1463-K1466 PolarHBondContact O-N 3.43Å; V1463-K1466 VanDerWaalsContact O-N 3.14Å; V1463-V1467 HydrophobicContact CG1-CG2 4.44Å; V1463-V1467 WeakPolarHBondContact O-CG2 3.32Å; V1463-V1467 PolarHBondContact O-N 3.06Å
1464R93.7Very high84.2Confident59 Ų5979.5 Ų79.522%0.22342%0.416CS..Hα-helixtrans-63.1-43.6175.6177.7173.3163.6173.2-11.7112.7F1427 M1432 F1433 I1460 K1466 V1467 M1468F1427-R1464 HydrophobicContact CE2-CB 3.8Å; F1427-R1464 HydrophobicContact CZ-CB 3.84Å; M1432-R1464 HydrophobicContact CG-CG 3.99Å; M1432-R1464 WeakPolarHBondContact O-CD 3.23Å; M1432-R1464 PolarHBondContact O-NH1 2.86Å; F1433-R1464 VanDerWaalsContact CD2-NH1 3.29Å; F1433-R1464 VanDerWaalsContact CE1-NH1 3.3Å; I1460-R1464 WeakPolarHBondContact O-CB 3.49Å; I1460-R1464 PolarHBondContact O-N 3.43Å; R1464-K1466 PolarHBondContact O-N 3.46Å; R1464-V1467 PolarHBondContact O-N 3.12Å; R1464-M1468 HydrophobicContact CG-CG 4.16Å; R1464-M1468 HydrophobicContact CG-SD 3.86Å; R1464-M1468 WeakPolarHBondContact O-CB 2.92Å; R1464-M1468 VanDerWaalsContact O-CG 3.31Å; R1464-M1468 WeakPolarHBondContact O-CG 3.2Å; R1464-M1468 PolarHBondContact O-N 3.3Å
1465Q91.1Very high81.6Confident123 Ų12377.2 Ų77.258%0.57542%0.422SS*.Hα-helixtrans-59.3-36.8174.9-79.4178.5-11.400111.3R1461 E1462 A1469R1461-Q1465 VanDerWaalsContact O-CB 3.28Å; R1461-Q1465 WeakPolarHBondContact O-CB 3.49Å; R1461-Q1465 WeakPolarHBondContact O-CG 3.49Å; R1461-Q1465 PolarHBondContact O-N 3.02Å; E1462-Q1465 PolarHBondContact O-N 3.08Å; Q1465-A1469 VanDerWaalsContact O-CB 3.26Å; Q1465-A1469 WeakPolarHBondContact O-CB 3.25Å; Q1465-A1469 PolarHBondContact O-N 2.86Å
1466K93.2Very high79Confident112 Ų11281 Ų8149%0.48745%0.448SS..Hα-helixtrans-68.2-44.7175.5-166.2-178.9178.9-170.40112.7E1462 V1463 R1464 A1469 S1470E1462-K1466 PolarHBondContact O-N 3.2Å; V1463-K1466 WeakPolarHBondContact O-CB 3.48Å; V1463-K1466 PolarHBondContact O-N 3.43Å; V1463-K1466 VanDerWaalsContact O-N 3.14Å; R1464-K1466 PolarHBondContact O-N 3.46Å; K1466-A1469 WeakPolarHBondContact O-CB 3.22Å; K1466-A1469 PolarHBondContact O-N 3.02Å; K1466-S1470 PolarHBondContact O-N 2.79Å; K1466-S1470 VanDerWaalsContact O-N 3.1Å; K1466-S1470 PolarHBondContact O-OG 3.07Å
1467V88.3Confident75.9Confident34 Ų3486.5 Ų86.521%0.20648%0.484CS..Hα-helixtrans-64.7-45177.4174.30000111.1M1424 M1432 V1463 R1464 A1469 S1470 V1471M1424-V1467 HydrophobicContact CE-CG2 3.96Å; M1424-V1467 HydrophobicContact SD-CG2 4.33Å; M1432-V1467 HydrophobicContact CE-CG1 3.8Å; M1432-V1467 HydrophobicContact SD-CB 4.43Å; M1432-V1467 HydrophobicContact SD-CG1 4.02Å; V1463-V1467 HydrophobicContact CG1-CG2 4.44Å; V1463-V1467 WeakPolarHBondContact O-CG2 3.32Å; V1463-V1467 PolarHBondContact O-N 3.06Å; R1464-V1467 PolarHBondContact O-N 3.12Å; V1467-A1469 VanDerWaalsContact C-N 3.26Å; V1467-A1469 PolarHBondContact O-N 3.18Å; V1467-S1470 WeakPolarHBondContact CA-OG 3.46Å; V1467-S1470 PolarHBondContact O-N 3.19Å; V1467-S1470 PolarHBondContact O-OG 2.96Å; V1467-V1471 PolarHBondContact O-N 2.69Å; V1467-V1471 VanDerWaalsContact O-N 3.1Å
1468M83.4Confident72.9Confident72 Ų7287.1 Ų87.136%0.35550%0.498SS..Hα-helixtrans-62.6-33174-67.9-17873.800111.9R1464 V1471 Q1472R1464-M1468 HydrophobicContact CG-CG 4.16Å; R1464-M1468 HydrophobicContact CG-SD 3.86Å; R1464-M1468 WeakPolarHBondContact O-CB 2.92Å; R1464-M1468 VanDerWaalsContact O-CG 3.31Å; R1464-M1468 WeakPolarHBondContact O-CG 3.2Å; R1464-M1468 PolarHBondContact O-N 3.3Å; M1468-V1471 PolarHBondContact O-N 3.01Å; M1468-Q1472 VanDerWaalsContact O-CB 3.23Å; M1468-Q1472 WeakPolarHBondContact O-CB 2.88Å; M1468-Q1472 VanDerWaalsContact O-CG 3.27Å; M1468-Q1472 WeakPolarHBondContact O-CG 2.97Å; M1468-Q1472 PolarHBondContact O-N 2.71Å
1469A81.7Confident70.1Confident65 Ų6590 Ų9054%0.53751%0.513SS..Hα-helixtrans-70.7-29.6175.200000113.6Q1465 K1466 V1467Q1465-A1469 VanDerWaalsContact O-CB 3.26Å; Q1465-A1469 WeakPolarHBondContact O-CB 3.25Å; Q1465-A1469 PolarHBondContact O-N 2.86Å; K1466-A1469 WeakPolarHBondContact O-CB 3.22Å; K1466-A1469 PolarHBondContact O-N 3.02Å; V1467-A1469 VanDerWaalsContact C-N 3.26Å; V1467-A1469 PolarHBondContact O-N 3.18Å
1470S78Confident67Low81 Ų8193.1 Ų93.157%0.56655%0.549SS*.Hα-helixtrans-70.9-40169.429.30000112.5K1466 V1467K1466-S1470 PolarHBondContact O-N 2.79Å; K1466-S1470 VanDerWaalsContact O-N 3.1Å; K1466-S1470 PolarHBondContact O-OG 3.07Å; V1467-S1470 WeakPolarHBondContact CA-OG 3.46Å; V1467-S1470 PolarHBondContact O-N 3.19Å; V1467-S1470 PolarHBondContact O-OG 2.96Å
1471V66.9Low63.9Low118 Ų11895.8 Ų95.872%0.71558%0.582SS**Hα-helixtrans-75.5-32.1179.9178.30000112.4V1467 M1468 S1473V1467-V1471 PolarHBondContact O-N 2.69Å; V1467-V1471 VanDerWaalsContact O-N 3.1Å; M1468-V1471 PolarHBondContact O-N 3.01Å; V1471-S1473 VanDerWaalsContact C-N 3.28Å; V1471-S1473 PolarHBondContact O-N 3.25Å
1472Q57.9Low61Low112 Ų11293.7 Ų93.752%0.52359%0.588SS.*THydrogen-bonded Turntrans-88.935.1-178.7-65.7-175.31.600114.4M1468 P1474M1468-Q1472 VanDerWaalsContact O-CB 3.23Å; M1468-Q1472 WeakPolarHBondContact O-CB 2.88Å; M1468-Q1472 VanDerWaalsContact O-CG 3.27Å; M1468-Q1472 WeakPolarHBondContact O-CG 2.97Å; M1468-Q1472 PolarHBondContact O-N 2.71Å; Q1472-P1474 VanDerWaalsContact O-CD 3.29Å; Q1472-P1474 WeakPolarHBondContact O-CD 3.12Å
1473S37.3Very low57.8Low92 Ų9295.9 Ų95.964%0.64361%0.61SS**  trans-83.4105.7160.3-66.90000108V1471 A1475V1471-S1473 VanDerWaalsContact C-N 3.28Å; V1471-S1473 PolarHBondContact O-N 3.25Å; S1473-A1475 PolarHBondContact O-N 2.82Å
1474P44.7Very low55.1Low113 Ų113101.8 Ų101.873%0.73465%0.648SS**  trans-77115.4-174.9-624.5000109Q1472 T1476Q1472-P1474 VanDerWaalsContact O-CD 3.29Å; Q1472-P1474 WeakPolarHBondContact O-CD 3.12Å; P1474-T1476 PolarHBondContact O-N 2.89Å
1475A38.3Very low52.4Low97 Ų97103.2 Ų103.280%0.80267%0.673SS**  trans-56.9129.4148.300000107.1S1473 P1477S1473-A1475 PolarHBondContact O-N 2.82Å; A1475-P1477 VanDerWaalsContact O-CD 3.27Å; A1475-P1477 WeakPolarHBondContact O-CD 3.45Å
1476T39.1Very low49.8Very low137 Ų137103.3 Ų103.384%0.8468%0.684SS**  trans-93.6112.3-177.841.90000110.5P1474P1474-T1476 PolarHBondContact O-N 2.89Å
1477P33.2Very low47.1Very low117 Ų117102.9 Ų102.976%0.7670%0.701SS**  trans-93.5156.3174.436.8-33.7000112.5A1475A1475-P1477 VanDerWaalsContact O-CD 3.27Å; A1475-P1477 WeakPolarHBondContact O-CD 3.45Å
1478S31.5Very low44.9Very low107 Ų107107.5 Ų107.575%0.74873%0.73SS**  trans84146.4152.8-143.70000120.8
1479L34.7Very low42.8Very low175 Ų175109.9 Ų109.992%0.91675%0.751SS**  trans72.5125.5161.8-66.4154.2000120.4
1480G31.2Very low40.8Very low79 Ų79111.9 Ų111.981%0.81477%0.767SS**  trans131.384.3161.300000115.1
1481G32.2Very low39Very low77 Ų77114.6 Ų114.679%0.79478%0.78SS**  trans-94.7159.5-170.800000117.5
1482T33.6Very low37.8Very low124 Ų124114.3 Ų114.376%0.76178%0.781SS**  trans-166.214116444.80000105
1483C28.2Very low36.8Very low116 Ų116116.8 Ų116.878%0.78480%0.797SS**  cis-153.1-173.58.3-113.20000107.3
1484P38.1Very low36.8Very low128 Ų128116.1 Ų116.183%0.83180%0.797SS**  cis-114.7-166.912.442.5-30.1000115.1
1485A37.6Very low36.7Very low89 Ų89117.3 Ų117.374%0.73680%0.802SS**  trans-94.6176.6-166.600000113.1
1486P36.3Very low36.8Very low125 Ų125117.7 Ų117.781%0.81280%0.796SS**  trans-94.3159.9-148.437-38.5000116.4
1487A37.7Very low36.9Very low103 Ų103117.9 Ų117.985%0.85180%0.797SS**  trans-141.1137.5152.400000109.5
1488T40.7Very low36.9Very low131 Ų131117 Ų11780%0.80479%0.793SS**  trans-126.4175.3176.948.60000108.7
1489P40.8Very low37.1Very low122 Ų122118.5 Ų118.579%0.79280%0.798SS**  -129.8158.7-50.136.2-23.1000112.3
1490A38.2Very low37.2Very low106 Ų106114.9 Ų114.988%0.87679%0.787SS**  trans-151.9126.7163.700000112.9
1491T40.8Very low37.3Very low138 Ų138120 Ų12085%0.84779%0.79SS**  trans-104.2176.6169.2180000109.8
1492P42.1Very low37.4Very low113 Ų113120.4 Ų120.473%0.73479%0.786SS**  cis-125.7-170.1-33.838.2-22.7000110.9
1493L35.9Very low37.7Very low164 Ų164120 Ų12086%0.85979%0.788SS**  172151.7119-162.457.1000112.8
1494A38.8Very low38.6Very low77 Ų77119.3 Ų119.364%0.63678%0.782SS**  trans5.7151.3158.100000122.1
1495T41.2Very low38.5Very low139 Ų139119.1 Ų119.185%0.85378%0.779SS**  cis-163.8168.157.60000111.1
1496P41.8Very low38.5Very low104 Ų104119.2 Ų119.268%0.67577%0.774SS**  trans-117.3163.1-16741.9-32.6000117.5
1497V39.5Very low38.5Very low142 Ų142118.7 Ų118.786%0.86177%0.765SS**  trans-151.9128.3153.6-1650000106.6
1498S34.4Very low38.5Very low97 Ų97124.8 Ų124.868%0.67877%0.766SS**  cis103.281.317-60.20000116.9
1499V36.4Very low38.2Very low139 Ų139123 Ų12384%0.84276%0.758SS**  trans-160131.6137.1-123.20000106.2
1500S36.5Very low37.9Very low99 Ų99126.6 Ų126.669%0.69276%0.761SS**  cis67.6130.938.5-61.30000112.1
1501E32.8Very low38Very low186 Ų186127.3 Ų127.387%0.86976%0.755SS**  cis-155.4-179.99-100162.983.400107.3
1502A35.1Very low38Very low86 Ų86126.6 Ų126.671%0.71175%0.752SS**  cis-165.4174-28.900000108.5
1503S39.8Very low37.9Very low116 Ų116127.4 Ų127.481%0.81176%0.758SS**  trans-102-132.2177-52.40000109.5
1504P46.5Very low37.9Very low102 Ų102125 Ų12566%0.66275%0.754SS**  cis-141.5-153.9-16.535.4-10.8000113.9
1505T36.1Very low38.4Very low124 Ų124126.2 Ų126.276%0.76176%0.756SS**  trans71150.6147.644.50000119.9
1506S37.7Very low38.3Very low91 Ų91125.7 Ų125.764%0.63675%0.748SS**  cis-163.9-179-17.248.40000107.6
1507D35.6Very low38.1Very low114 Ų114127.7 Ų127.761%0.6175%0.753SS**  cis-155.6140.927.4-107.7-59.1000110
1508R38.7Very low38.1Very low230 Ų230126 Ų12687%0.86875%0.754SS**  59.4154.9103.2-76.6-171.7169.6161.2-9.9117.9
1509C34.1Very low38.1Very low94 Ų94129.2 Ų129.264%0.63576%0.763SS**  cis-176.6159.1-31.4-161.40000108.4
1510F34Very low38.4Very low198 Ų198128.4 Ų128.487%0.86876%0.76SS**  177148.8124.5-104.9-69.7000112.7
1511T40.2Very low38.4Very low121 Ų121128.8 Ų128.874%0.74276%0.763SS**  trans-145152.1174.841.10000110.5
1512P41.1Very low38.6Very low122 Ų122127.3 Ų127.379%0.79276%0.756SS**  trans-89.1161.4-169.835.9-37.4000114.7
1513P40.1Very low38.9Very low131 Ų131129.9 Ų129.985%0.85175%0.751SS**  trans-110.2169.8175.640.6-33.1000115
1514S35.4Very low38.7Very low112 Ų112133.6 Ų133.678%0.78375%0.753SS**  trans-175.4159.5176.7-174.50000108.3
1515P49.9Very low38.4Very low104 Ų104132.6 Ų132.668%0.67575%0.754SS**  cis-131.3-163.3-43.539.1-22.8000112.6
1516N39Very low38.4Very low128 Ų128134.3 Ų134.368%0.68476%0.756SS**  trans94.9139.7148.7-87.743.1000124
1517D37.3Very low38.5Very low146 Ų146134.5 Ų134.578%0.78176%0.763SS**  trans66.8104.1147-54.5-33.2000123.9
1518A39.5Very low38.7Very low106 Ų106133.4 Ų133.488%0.87677%0.77SS**  trans-162.4153.4141.900000112.7
1519L34.5Very low38.9Very low165 Ų165126.4 Ų126.486%0.86476%0.757SS**  trans-111.5167.9174.1-93.9170.6000109.1
1520P41.5Very low39.4Very low122 Ų122131 Ų13179%0.79277%0.768SS**  cis-150.2-159.146.244.1-20.9000117.5
1521S36.5Very low39.8Very low107 Ų107124.8 Ų124.875%0.74876%0.76SS**  trans-90.5155.5-168.654.40000117.1
1522E38.3Very low40.1Very low154 Ų154123.5 Ų123.572%0.7275%0.754SS**  trans162.8153142.6-96.3-164.3166.900110.1
1523K40.4Very low40.5Very low140 Ų140123.7 Ų123.761%0.60976%0.756SS**  cis-168.8154.5-13-139.2170.9-166.4157.50110.2
1524F36.7Very low40.5Very low194 Ų194121.8 Ų121.885%0.85175%0.751SS**  trans60.4164.1171.1-61.2-76.2000117.5
1525A38.9Very low40.8Very low82 Ų82122.6 Ų122.668%0.67875%0.751SS**  cis-166.5169.5-38.500000106.7
1526I36.4Very low40.4Very low160 Ų160123.4 Ų123.482%0.82175%0.754SS**  cis-156.316140-72.8176.9000110.1
1527A40Very low40.6Very low94 Ų94123.8 Ų123.878%0.77776%0.761SS**  trans-20.9166.6163.800000121.2
1528A41Very low40.7Very low91 Ų91125.1 Ų125.175%0.75279%0.792SS**  cis173.1171.1-12.900000108.3
1529S43Very low40.8Very low84 Ų84126.1 Ų126.159%0.58779%0.788SS**  cis-178.6161.8-22.258.20000110.3
1530Q43.4Very low41.1Very low189 Ų189124 Ų12488%0.88378%0.784SS**  trans74.5144.6174.3-50.8158.467.800114.2
1531G42.3Very low41.1Very low68 Ų68124.1 Ų124.170%0.70178%0.784SS**  cis160.893.5-500000113.6
1532P48Very low41.3Very low95 Ų95125.1 Ų125.162%0.61779%0.786SS**  trans-89.4160.7-177.536-36.7000114.4
1533P48.8Very low41.5Very low126 Ų126123.3 Ų123.382%0.81879%0.79SS**  -161.5176.110542.2-22.9000119.2
1534A39.5Very low41.6Very low91 Ų91122.2 Ų122.275%0.75280%0.802SS**  trans108146.613500000124
1535V41.7Very low41.9Very low128 Ų128117.1 Ų117.178%0.77680%0.798SS**  trans91.7120.3154.3-147.20000122
1536T42Very low42.2Very low121 Ų121119.8 Ų119.874%0.74281%0.808SS**  trans66.9113.2154.343.10000125
1537T42.7Very low42.7Very low136 Ų136116.4 Ų116.483%0.83481%0.807SS**  68.4102.6122.2-46.20000121.9
1538A39.7Very low42.9Very low174 Ų174118.5 Ų118.5100%1.43881%0.809SS**  trans-152.80131.300000109.8

Retrieved 1,538 of 1,538 residues in 403.3 ms (Link to these results)

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