A0A093HXZ8_STRCA Loading...

Polyhomeotic-like 1

AlphaFold DB , UniProt , Accession A0A093HXZ8, Species STRCA (Struthio camelus australis), Gene n/a, Length 993 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M29.3Very low30.7Very low227 Ų227144.6 Ų144.6100%1.11879%0.791SS**  088.50-62168.4178.700108.2
2E31.5Very low30.7Very low158 Ų158144.1 Ų144.174%0.73880%0.795SS**  cis-161.1116.9-10.1-113.9141.2117.400105.5
3T37Very low30.5Very low97 Ų97142.8 Ų142.860%0.59580%0.802SS**  67.9110.5104.257.70000113.5
4E31Very low30.4Very low168 Ų168137.6 Ų137.679%0.78580%0.797SS**  87.3160.391.292.1-165.816.900112.3
5S32.8Very low30.3Very low100 Ų100137.4 Ų137.470%0.69981%0.807SS**  cis-158.5165.5-34.1-100.80000109.5
6E32.8Very low30.7Very low179 Ų179136 Ų13684%0.83681%0.807SS**  trans9.8139.8160.9-59.1175.178.400122.5
7Q30.6Very low30.8Very low204 Ų204134.5 Ų134.595%0.95380%0.804SS**  -170.1171.5115.7-106.2178.525.100114.3
8N27.2Very low31.1Very low141 Ų141133.4 Ų133.475%0.75480%0.804SS**  trans-140.1129.2-161.5-178.518.6000114.1
9S32.5Very low31.7Very low97 Ų97130.9 Ų130.968%0.67881%0.809SS**  trans56.5140.7155.8-67.10000123.1
10S26.2Very low31.8Very low121 Ų121128.3 Ų128.385%0.84681%0.808SS**  trans74.1158161.386.80000116.7
11S27.2Very low32Very low99 Ų99127.7 Ų127.769%0.69281%0.809SS**  cis-148.5151.93.463.80000114
12T30.1Very low32.5Very low138 Ų138123.6 Ų123.685%0.84780%0.797SS**  trans12125.7153.453.20000122.3
13S29.1Very low33.1Very low127 Ų127125.8 Ų125.889%0.88880%0.798SS**  trans-148.3154.813160.20000109.4
14G28.5Very low33.5Very low71 Ų71125.5 Ų125.573%0.73280%0.798SS**  cis14761.2-5.400000114
15S29.3Very low34.3Very low134 Ų134124.6 Ų124.694%0.93779%0.794SS**  trans-164.1155.2170.9-85.30000112.8
16S36.5Very low35.4Very low115 Ų115123.7 Ų123.780%0.80478%0.78SS**  trans-124.7137.2-168.3570000113.9
17S31.6Very low36.3Very low110 Ų110120 Ų12077%0.76977%0.774SS**  trans-175.8148.3146.8470000113.4
18S36.3Very low37.3Very low115 Ų115118.3 Ų118.380%0.80477%0.766SS**  trans42125.7154.650.10000120.9
19G43Very low38.6Very low87 Ų87113 Ų11390%0.89774%0.737SS**  trans-78.2160.2178.400000115.8
20G33.3Very low40.6Very low77 Ų77111.1 Ų111.179%0.79472%0.724SS**  trans-173140.5173.800000113.8
21S36.7Very low42.8Very low116 Ų116111.8 Ų111.881%0.81172%0.718SS**  trans14.3120.3163.8-159.40000120R23S21-R23 PolarHBondContact O-N 2.98Å
22T39.1Very low44.9Very low142 Ų142116.1 Ų116.187%0.87172%0.72SS**  trans-67.196.616948.40000112
23R43.5Very low47.3Very low204 Ų204114.1 Ų114.177%0.7770%0.701SS**  trans-80.7124.8172.4-176.6-175.2-176.3-169.53.5110.7S21S21-R23 PolarHBondContact O-N 2.98Å
24P47.2Very low49.8Very low90 Ų90112.9 Ų112.958%0.58468%0.677SS**  trans-68.4146.7173.228.4-34000111.6I26P24-I26 PolarHBondContact O-N 2.79Å; P24-I26 VanDerWaalsContact O-N 3.07Å
25Q47.7Very low52.1Low150 Ų150115.3 Ų115.370%0.70167%0.669SS**  trans-73.299.7178.6-78.8-169.3-44.600111.6S27 Q28Q25-S27 PolarHBondContact O-N 2.97Å; Q25-Q28 PolarHBondContact O-N 3.4Å
26I55.6Low54.3Low80 Ų80111 Ų11141%0.4164%0.642SS.*G310 helixtrans-54.5-22.7179.4-63.9167.3000113.4P24 M29 R34P24-I26 PolarHBondContact O-N 2.79Å; P24-I26 VanDerWaalsContact O-N 3.07Å; I26-M29 WeakPolarHBondContact O-CB 3.33Å; I26-M29 PolarHBondContact O-N 3.08Å; I26-R34 HydrophobicContact CG2-CG 4.41Å; I26-R34 PolarHBondContact O-NH1 3.26Å
27S50.7Low56.3Low102 Ų102108.5 Ų108.571%0.71362%0.622SS**G310 helixtrans-63.8-45.6-176.8-175.60000113.7Q25 M29 R34Q25-S27 PolarHBondContact O-N 2.97Å; S27-M29 VanDerWaalsContact C-N 3.27Å; S27-M29 PolarHBondContact O-N 3.31Å; S27-R34 PolarHBondContact O-NH1 2.99Å
28Q52.6Low58.4Low169 Ų169110 Ų11079%0.7962%0.616SS**G310 helixtrans-81-5.8-178.3-63.7-168.18.100113.9Q25Q25-Q28 PolarHBondContact O-N 3.4Å
29M54.5Low60Low28 Ų28107 Ų10714%0.13860%0.599CS.*SBendtrans-72.9139.7-173.3-151.1130.581.200111.6I26 S27 E33 R34 V37I26-M29 WeakPolarHBondContact O-CB 3.33Å; I26-M29 PolarHBondContact O-N 3.08Å; S27-M29 VanDerWaalsContact C-N 3.27Å; S27-M29 PolarHBondContact O-N 3.31Å; M29-E33 HydrophobicContact CG-CB 3.75Å; M29-E33 HydrophobicContact CG-CG 3.45Å; M29-E33 VanDerWaalsContact CG-CG 3.45Å; M29-E33 WeakPolarHBondContact CG-OE2 3.32Å; M29-E33 HydrophobicContact SD-CG 3.94Å; M29-R34 HydrophobicContact CB-CG 4.05Å; M29-R34 PolarHBondContact O-NH1 2.88Å; M29-R34 VanDerWaalsContact O-NH1 3.08Å; M29-R34 PolarHBondContact O-NH2 2.91Å; M29-V37 HydrophobicContact CE-CB 4.46Å; M29-V37 HydrophobicContact CE-CG2 3.81Å
30S73.8Confident61.5Low59 Ų59108.1 Ų108.141%0.41358%0.584SS.*  trans-63.9159.1-176.971.70000112Y32 E33 R34S30-Y32 VanDerWaalsContact C-N 3.31Å; S30-Y32 PolarHBondContact O-N 2.93Å; S30-E33 PolarHBondContact O-N 2.82Å; S30-E33 VanDerWaalsContact O-N 3.12Å; S30-E33 WeakPolarHBondContact OG-CB 3.34Å; S30-E33 PolarHBondContact OG-N 3.01Å; S30-E33 PolarHBondContact OG-OE2 3.2Å; S30-R34 PolarHBondContact O-N 2.87Å
31L72.4Confident63.3Low135 Ų135110.3 Ų110.371%0.70757%0.573SS**Hα-helixtrans-59.7-44.4-178.5-154.5166.7000110.9E33 R34 Q35L31-E33 VanDerWaalsContact C-N 3.34Å; L31-E33 PolarHBondContact O-N 3.1Å; L31-R34 PolarHBondContact O-N 3.06Å; L31-Q35 WeakPolarHBondContact O-CB 3.39Å; L31-Q35 PolarHBondContact O-N 3.16Å
32Y72.3Confident64.5Low189 Ų189107.5 Ų107.574%0.74156%0.557SS**Hα-helixtrans-59.2-40.8174.1-172-96.4000112.7S30 Q35 A36S30-Y32 VanDerWaalsContact C-N 3.31Å; S30-Y32 PolarHBondContact O-N 2.93Å; Y32-Q35 CarbonylContact O-C 3.52Å; Y32-Q35 WeakPolarHBondContact O-CB 3.43Å; Y32-Q35 PolarHBondContact O-N 2.97Å; Y32-A36 WeakPolarHBondContact O-CB 3.39Å; Y32-A36 PolarHBondContact O-N 2.61Å
33E80.6Confident65.2Low96 Ų96106 Ų10645%0.44954%0.543SS..Hα-helixtrans-77.3-33.3-177.7-167.9176.6-172.300112.6M29 S30 L31 Q35 A36 V37M29-E33 HydrophobicContact CG-CB 3.75Å; M29-E33 HydrophobicContact CG-CG 3.45Å; M29-E33 VanDerWaalsContact CG-CG 3.45Å; M29-E33 WeakPolarHBondContact CG-OE2 3.32Å; M29-E33 HydrophobicContact SD-CG 3.94Å; S30-E33 PolarHBondContact O-N 2.82Å; S30-E33 VanDerWaalsContact O-N 3.12Å; S30-E33 WeakPolarHBondContact OG-CB 3.34Å; S30-E33 PolarHBondContact OG-N 3.01Å; S30-E33 PolarHBondContact OG-OE2 3.2Å; L31-E33 VanDerWaalsContact C-N 3.34Å; L31-E33 PolarHBondContact O-N 3.1Å; E33-Q35 VanDerWaalsContact C-N 3.33Å; E33-A36 PolarHBondContact O-N 3.08Å; E33-V37 WeakPolarHBondContact O-CG2 3.15Å; E33-V37 PolarHBondContact O-N 3.36Å
34R80.7Confident65.9Low102 Ų102104.3 Ų104.339%0.38554%0.544SS..Hα-helixtrans-61.3-42.6164.8-77-166.6-83.3-106.90.1111.1I26 S27 M29 S30 L31 V37 Q38I26-R34 HydrophobicContact CG2-CG 4.41Å; I26-R34 PolarHBondContact O-NH1 3.26Å; S27-R34 PolarHBondContact O-NH1 2.99Å; M29-R34 HydrophobicContact CB-CG 4.05Å; M29-R34 PolarHBondContact O-NH1 2.88Å; M29-R34 VanDerWaalsContact O-NH1 3.08Å; M29-R34 PolarHBondContact O-NH2 2.91Å; S30-R34 PolarHBondContact O-N 2.87Å; L31-R34 PolarHBondContact O-N 3.06Å; R34-V37 PolarHBondContact O-N 2.85Å; R34-Q38 VanDerWaalsContact O-CB 3.28Å; R34-Q38 WeakPolarHBondContact O-CB 3.2Å; R34-Q38 PolarHBondContact O-N 2.92Å
35Q77.6Confident66.5Low122 Ų122109.9 Ų109.957%0.5755%0.553SS**Hα-helixtrans-66.6-37.5177.1-164.9168.810.100112.1L31 Y32 E33 Q38 A39L31-Q35 WeakPolarHBondContact O-CB 3.39Å; L31-Q35 PolarHBondContact O-N 3.16Å; Y32-Q35 CarbonylContact O-C 3.52Å; Y32-Q35 WeakPolarHBondContact O-CB 3.43Å; Y32-Q35 PolarHBondContact O-N 2.97Å; E33-Q35 VanDerWaalsContact C-N 3.33Å; Q35-Q38 PolarHBondContact O-N 3.47Å; Q35-A39 WeakPolarHBondContact O-CB 3.28Å; Q35-A39 PolarHBondContact O-N 2.82Å
36A74.2Confident66.7Low43 Ų43108.4 Ų108.436%0.35555%0.546SS..Hα-helixtrans-65.3-45.1173.900000112.4Y32 E33 Q38 A39 L40Y32-A36 WeakPolarHBondContact O-CB 3.39Å; Y32-A36 PolarHBondContact O-N 2.61Å; E33-A36 PolarHBondContact O-N 3.08Å; A36-Q38 VanDerWaalsContact C-N 3.34Å; A36-A39 PolarHBondContact O-N 3.24Å; A36-L40 WeakPolarHBondContact O-CB 3.36Å; A36-L40 WeakPolarHBondContact O-CG 3.29Å; A36-L40 PolarHBondContact O-N 3.02Å
37V78.3Confident66.7Low63 Ų63110.2 Ų110.238%0.38256%0.564SS.*Hα-helixtrans-64.3-39.6174.3170.10000111.2M29 E33 R34 L40 Q41M29-V37 HydrophobicContact CE-CB 4.46Å; M29-V37 HydrophobicContact CE-CG2 3.81Å; E33-V37 WeakPolarHBondContact O-CG2 3.15Å; E33-V37 PolarHBondContact O-N 3.36Å; R34-V37 PolarHBondContact O-N 2.85Å; V37-L40 PolarHBondContact O-N 3.35Å; V37-Q41 VanDerWaalsContact O-CB 3.29Å; V37-Q41 WeakPolarHBondContact O-CB 3.32Å; V37-Q41 PolarHBondContact O-N 3Å
38Q76.4Confident66.9Low140 Ų140109.6 Ų109.665%0.65455%0.552SS**Hα-helixtrans-66.3-37.1176.6-167169.612.200112.1R34 Q35 A36 Q41 A42R34-Q38 VanDerWaalsContact O-CB 3.28Å; R34-Q38 WeakPolarHBondContact O-CB 3.2Å; R34-Q38 PolarHBondContact O-N 2.92Å; Q35-Q38 PolarHBondContact O-N 3.47Å; A36-Q38 VanDerWaalsContact C-N 3.34Å; Q38-Q41 PolarHBondContact O-N 2.74Å; Q38-A42 WeakPolarHBondContact O-CB 3.49Å; Q38-A42 PolarHBondContact O-N 3.38Å
39A70Confident67.1Low53 Ų53103 Ų10344%0.43853%0.526SS..Hα-helixtrans-67.2-44.2172.900000112.4Q35 A36 Q41 A42 L43Q35-A39 WeakPolarHBondContact O-CB 3.28Å; Q35-A39 PolarHBondContact O-N 2.82Å; A36-A39 PolarHBondContact O-N 3.24Å; A39-Q41 VanDerWaalsContact C-N 3.32Å; A39-Q41 PolarHBondContact O-N 3.23Å; A39-A42 PolarHBondContact O-N 3.29Å; A39-L43 WeakPolarHBondContact O-CG 3.45Å; A39-L43 PolarHBondContact O-N 3.27Å
40L74Confident67.3Low111 Ų111105.3 Ų105.358%0.58155%0.55SS*.Hα-helixtrans-62-39.2174.3-73.6166.3000111.9A36 V37 L43 Q44A36-L40 WeakPolarHBondContact O-CB 3.36Å; A36-L40 WeakPolarHBondContact O-CG 3.29Å; A36-L40 PolarHBondContact O-N 3.02Å; V37-L40 PolarHBondContact O-N 3.35Å; L40-L43 PolarHBondContact O-N 2.86Å; L40-Q44 PolarHBondContact O-N 2.71Å
41Q72.3Confident67Low122 Ų122108.4 Ų108.457%0.5756%0.558SS**Hα-helixtrans-74.6-29.3177.6-163.4162.729.400112.4V37 Q38 A39 R45V37-Q41 VanDerWaalsContact O-CB 3.29Å; V37-Q41 WeakPolarHBondContact O-CB 3.32Å; V37-Q41 PolarHBondContact O-N 3Å; Q38-Q41 PolarHBondContact O-N 2.74Å; A39-Q41 VanDerWaalsContact C-N 3.32Å; A39-Q41 PolarHBondContact O-N 3.23Å; Q41-R45 WeakPolarHBondContact O-CG 3.19Å; Q41-R45 PolarHBondContact O-N 3.29Å
42A61.5Low66.7Low58 Ų58109.9 Ų109.948%0.47956%0.555SS.*Hα-helixtrans-67-42.8168.900000111.8Q38 A39 Q44 R45Q38-A42 WeakPolarHBondContact O-CB 3.49Å; Q38-A42 PolarHBondContact O-N 3.38Å; A39-A42 PolarHBondContact O-N 3.29Å; A42-Q44 VanDerWaalsContact C-N 3.34Å; A42-Q44 PolarHBondContact O-N 3.1Å; A42-R45 PolarHBondContact O-N 3.44Å; A42-R45 VanDerWaalsContact O-N 3.1Å
43L53.5Low66.7Low111 Ų111107.7 Ų107.758%0.58155%0.55SS*.Hα-helixtrans-60.3-41.3173.5-75.1163.4000111.8A39 L40 R45 Q46A39-L43 WeakPolarHBondContact O-CG 3.45Å; A39-L43 PolarHBondContact O-N 3.27Å; L40-L43 PolarHBondContact O-N 2.86Å; L43-R45 VanDerWaalsContact C-N 3.27Å; L43-R45 PolarHBondContact O-N 3.11Å; L43-Q46 PolarHBondContact O-N 3.26Å
44Q58.6Low66.4Low167 Ų167109.2 Ų109.278%0.7856%0.557SS**Hα-helixtrans-67.8-20.1174.4-77.1-172-19.800114.5L40 A42 Q46L40-Q44 PolarHBondContact O-N 2.71Å; A42-Q44 VanDerWaalsContact C-N 3.34Å; A42-Q44 PolarHBondContact O-N 3.1Å; Q44-Q46 VanDerWaalsContact C-N 3.3Å
45R58.3Low66.2Low208 Ų208109.8 Ų109.879%0.78556%0.564SS**THydrogen-bonded Turntrans-82.3-1.8175.7-77.2-167.271.6113.82.8114.3Q41 A42 L43 P47Q41-R45 WeakPolarHBondContact O-CG 3.19Å; Q41-R45 PolarHBondContact O-N 3.29Å; A42-R45 PolarHBondContact O-N 3.44Å; A42-R45 VanDerWaalsContact O-N 3.1Å; L43-R45 VanDerWaalsContact C-N 3.27Å; L43-R45 PolarHBondContact O-N 3.11Å; R45-P47 WeakPolarHBondContact O-CD 3.3Å
46Q52.5Low66.4Low118 Ų118109.9 Ų109.955%0.55156%0.562SS**  trans-117.685.2178.9-74.8-69-3.600111.1L43 Q44 N48 A49L43-Q46 PolarHBondContact O-N 3.26Å; Q44-Q46 VanDerWaalsContact C-N 3.3Å; Q46-N48 PolarHBondContact O-N 2.76Å; Q46-A49 HydrophobicContact CB-CB 3.78Å; Q46-A49 WeakPolarHBondContact O-CB 3.41Å; Q46-A49 PolarHBondContact O-N 3.46Å
47P55.8Low66.5Low119 Ų119113.3 Ų113.377%0.77357%0.572SS**THydrogen-bonded Turntrans-61.6-18.5-17924.8-34.2000113.7R45R45-P47 WeakPolarHBondContact O-CD 3.3Å
48N55.1Low66.5Low89 Ų89113.8 Ų113.848%0.47657%0.572SS.*THydrogen-bonded Turntrans-97.43.1173.2-85.3-26.2000114.7Q46 A50 Q51 Y52Q46-N48 PolarHBondContact O-N 2.76Å; N48-A50 PolarHBondContact O-N 3.05Å; N48-Q51 HydrophobicContact CB-CB 4.35Å; N48-Q51 WeakPolarHBondContact O-CA 3.36Å; N48-Q51 WeakPolarHBondContact O-CB 3.46Å; N48-Q51 PolarHBondContact O-N 2.88Å; N48-Y52 HydrophobicContact CB-CD2 4.15Å; N48-Y52 HydrophobicContact CB-CE2 4.07Å; N48-Y52 VanDerWaalsContact O-CD2 3.29Å; N48-Y52 WeakPolarHBondContact O-CD2 3.27Å; N48-Y52 PolarHBondContact O-N 3.08Å
49A56.4Low66.6Low29 Ų29112.3 Ų112.324%0.2457%0.566CS.*Hα-helixtrans-58.3-38178.600000112.4Q46 Y52 F53Q46-A49 HydrophobicContact CB-CB 3.78Å; Q46-A49 WeakPolarHBondContact O-CB 3.41Å; Q46-A49 PolarHBondContact O-N 3.46Å; A49-Y52 PolarHBondContact O-N 2.91Å; A49-F53 PolarHBondContact O-N 3.43Å
50A59.3Low67Low77 Ų77115.2 Ų115.264%0.63657%0.57SS**Hα-helixtrans-66.5-38.2174.400000112.7N48 F53 H54N48-A50 PolarHBondContact O-N 3.05Å; A50-F53 PolarHBondContact O-N 3.36Å; A50-H54 WeakPolarHBondContact O-CB 3.46Å; A50-H54 PolarHBondContact O-N 3.2Å
51Q66.3Low66.8Low124 Ų124116.1 Ų116.158%0.57957%0.572SS**Hα-helixtrans-61.7-49.1173.2-84.5-80.1-500111N48 F53 H54 Q55N48-Q51 HydrophobicContact CB-CB 4.35Å; N48-Q51 WeakPolarHBondContact O-CA 3.36Å; N48-Q51 WeakPolarHBondContact O-CB 3.46Å; N48-Q51 PolarHBondContact O-N 2.88Å; Q51-F53 PolarHBondContact O-N 2.97Å; Q51-H54 PolarHBondContact O-N 3.48Å; Q51-Q55 WeakPolarHBondContact O-CB 3.36Å; Q51-Q55 PolarHBondContact O-N 3.15Å
52Y67.9Low66.8Low166 Ų166115.2 Ų115.265%0.65157%0.57SS**Hα-helixtrans-63.4-38.8177.5-76.7-69.9000113N48 A49 Q55 F56N48-Y52 HydrophobicContact CB-CD2 4.15Å; N48-Y52 HydrophobicContact CB-CE2 4.07Å; N48-Y52 VanDerWaalsContact O-CD2 3.29Å; N48-Y52 WeakPolarHBondContact O-CD2 3.27Å; N48-Y52 PolarHBondContact O-N 3.08Å; A49-Y52 PolarHBondContact O-N 2.91Å; Y52-Q55 PolarHBondContact O-N 3.19Å; Y52-F56 WeakPolarHBondContact O-CB 3.37Å; Y52-F56 PolarHBondContact O-N 2.96Å
53F70.7Confident67.4Low143 Ų143117 Ų11763%0.62757%0.571SS**Hα-helixtrans-64-41172.8-107.8-81.7000112.4A49 A50 Q51 F56 M57A49-F53 PolarHBondContact O-N 3.43Å; A50-F53 PolarHBondContact O-N 3.36Å; Q51-F53 PolarHBondContact O-N 2.97Å; F53-F56 PolarHBondContact O-N 3.23Å; F53-M57 WeakPolarHBondContact O-CB 3.35Å; F53-M57 VanDerWaalsContact O-CG 3.23Å; F53-M57 WeakPolarHBondContact O-CG 3.46Å; F53-M57 PolarHBondContact O-N 2.85Å
54H74.1Confident67.9Low128 Ų128114.4 Ų114.459%0.59356%0.563SS**Hα-helixtrans-67.3-40177.1-150.486.8000111.7A50 Q51 M57 L58A50-H54 WeakPolarHBondContact O-CB 3.46Å; A50-H54 PolarHBondContact O-N 3.2Å; Q51-H54 PolarHBondContact O-N 3.48Å; H54-M57 PolarHBondContact O-N 3.17Å; H54-L58 WeakPolarHBondContact O-CB 3.44Å; H54-L58 WeakPolarHBondContact O-CG 3.48Å; H54-L58 PolarHBondContact O-N 2.92Å
55Q77.2Confident68.2Low114 Ų114109 Ų10953%0.53355%0.546SS..Hα-helixtrans-63.1-41.5174.5-171.468.488.900111.8Q51 Y52 L58 Q59Q51-Q55 WeakPolarHBondContact O-CB 3.36Å; Q51-Q55 PolarHBondContact O-N 3.15Å; Y52-Q55 PolarHBondContact O-N 3.19Å; Q55-L58 PolarHBondContact O-N 2.92Å; Q55-Q59 VanDerWaalsContact O-CB 3.3Å; Q55-Q59 WeakPolarHBondContact O-CB 3.46Å; Q55-Q59 PolarHBondContact O-N 3.37Å
56F81.4Confident68.7Low124 Ų124104.9 Ų104.954%0.54454%0.536SS..Hα-helixtrans-66.3-44.5175.9-178.3-95.8000112.1Y52 F53 L58 Q59 Q60Y52-F56 WeakPolarHBondContact O-CB 3.37Å; Y52-F56 PolarHBondContact O-N 2.96Å; F53-F56 PolarHBondContact O-N 3.23Å; F56-L58 PolarHBondContact O-N 3.45Å; F56-Q59 PolarHBondContact O-N 3.09Å; F56-Q60 WeakPolarHBondContact O-CB 3.48Å; F56-Q60 PolarHBondContact O-N 3.35Å
57M75.9Confident69.3Low115 Ų115104.8 Ų104.857%0.56754%0.539SS*.Hα-helixtrans-58.1-46.9173.9-73.8-75.1-70.700111.5F53 H54 Q59 Q60 Q61F53-M57 WeakPolarHBondContact O-CB 3.35Å; F53-M57 VanDerWaalsContact O-CG 3.23Å; F53-M57 WeakPolarHBondContact O-CG 3.46Å; F53-M57 PolarHBondContact O-N 2.85Å; H54-M57 PolarHBondContact O-N 3.17Å; M57-Q59 PolarHBondContact O-N 3.03Å; M57-Q60 PolarHBondContact O-N 2.94Å; M57-Q61 WeakPolarHBondContact O-CB 3.23Å; M57-Q61 PolarHBondContact O-N 3.13Å
58L78.4Confident69.8Low73 Ų73106 Ų10638%0.38253%0.534SS..Hα-helixtrans-62.8-40.3175.3-76.1167.8000112.3H54 Q55 F56 Q61 L62H54-L58 WeakPolarHBondContact O-CB 3.44Å; H54-L58 WeakPolarHBondContact O-CG 3.48Å; H54-L58 PolarHBondContact O-N 2.92Å; Q55-L58 PolarHBondContact O-N 2.92Å; F56-L58 PolarHBondContact O-N 3.45Å; L58-Q61 PolarHBondContact O-N 3.31Å; L58-L62 WeakPolarHBondContact O-CB 3.41Å; L58-L62 WeakPolarHBondContact O-CG 3.38Å; L58-L62 PolarHBondContact O-N 2.86Å
59Q79.3Confident70.4Confident109 Ų109104.8 Ų104.851%0.50953%0.532SS..Hα-helixtrans-67.7-39.1179.1-174.858.984.800112.3Q55 F56 M57 N63Q55-Q59 VanDerWaalsContact O-CB 3.3Å; Q55-Q59 WeakPolarHBondContact O-CB 3.46Å; Q55-Q59 PolarHBondContact O-N 3.37Å; F56-Q59 PolarHBondContact O-N 3.09Å; M57-Q59 PolarHBondContact O-N 3.03Å; Q59-N63 WeakPolarHBondContact O-CB 3.45Å; Q59-N63 PolarHBondContact O-N 2.92Å
60Q77.8Confident71Confident115 Ų115108.5 Ų108.554%0.53755%0.547SS..Hα-helixtrans-66.7-43.1173.3-174.9176.792.900111.1F56 M57 N63 S64F56-Q60 WeakPolarHBondContact O-CB 3.48Å; F56-Q60 PolarHBondContact O-N 3.35Å; M57-Q60 PolarHBondContact O-N 2.94Å; Q60-N63 PolarHBondContact O-N 3.22Å; Q60-S64 PolarHBondContact O-N 3.47Å; Q60-S64 PolarHBondContact O-OG 3.46Å
61Q70.1Confident71.3Confident130 Ų130107 Ų10761%0.60754%0.535SS*.Hα-helixtrans-63-45.1177.3-165.417432.900111.5M57 L58 N63 S64 A65M57-Q61 WeakPolarHBondContact O-CB 3.23Å; M57-Q61 PolarHBondContact O-N 3.13Å; L58-Q61 PolarHBondContact O-N 3.31Å; Q61-N63 PolarHBondContact O-N 3.31Å; Q61-S64 PolarHBondContact O-N 3.3Å; Q61-S64 PolarHBondContact O-OG 2.93Å; Q61-A65 WeakPolarHBondContact O-CB 3.43Å; Q61-A65 PolarHBondContact O-N 2.88Å
62L73Confident71.1Confident102 Ų102103.8 Ų103.853%0.53453%0.53SS..Hα-helixtrans-60.3-44174.2-79.8167.7000112.4L58 A65 Q66L58-L62 WeakPolarHBondContact O-CB 3.41Å; L58-L62 WeakPolarHBondContact O-CG 3.38Å; L58-L62 PolarHBondContact O-N 2.86Å; L62-A65 PolarHBondContact O-N 3.16Å; L62-Q66 WeakPolarHBondContact O-CG 3.46Å; L62-Q66 PolarHBondContact O-N 3.47Å
63N73.8Confident71.3Confident96 Ų96100.1 Ų100.151%0.51352%0.524SS..Hα-helixtrans-61-48.6176.7-170.7-48000111Q59 Q60 Q61 A65 Q66 L67Q59-N63 WeakPolarHBondContact O-CB 3.45Å; Q59-N63 PolarHBondContact O-N 2.92Å; Q60-N63 PolarHBondContact O-N 3.22Å; Q61-N63 PolarHBondContact O-N 3.31Å; N63-A65 VanDerWaalsContact C-N 3.26Å; N63-A65 PolarHBondContact O-N 3.44Å; N63-Q66 PolarHBondContact O-N 2.79Å; N63-Q66 VanDerWaalsContact O-N 3.15Å; N63-L67 PolarHBondContact O-N 2.95Å
64S64.9Low70.9Confident57 Ų5799.4 Ų99.440%0.39952%0.523SS..Hα-helixtrans-60.5-32.9177.275.10000113.6Q60 Q61 H68Q60-S64 PolarHBondContact O-N 3.47Å; Q60-S64 PolarHBondContact O-OG 3.46Å; Q61-S64 PolarHBondContact O-N 3.3Å; Q61-S64 PolarHBondContact O-OG 2.93Å; S64-H68 PolarHBondContact O-N 3.07Å; S64-H68 VanDerWaalsContact O-N 3.15Å; S64-H68 PolarHBondContact O-ND1 3.04Å
65A64.9Low70.2Confident53 Ų53100.2 Ų100.244%0.43853%0.527SS..Hα-helixtrans-76-36.5176.400000112.6Q61 L62 N63 H68 S69Q61-A65 WeakPolarHBondContact O-CB 3.43Å; Q61-A65 PolarHBondContact O-N 2.88Å; L62-A65 PolarHBondContact O-N 3.16Å; N63-A65 VanDerWaalsContact C-N 3.26Å; N63-A65 PolarHBondContact O-N 3.44Å; A65-H68 PolarHBondContact O-N 3.26Å; A65-S69 PolarHBondContact O-N 3.44Å; A65-S69 PolarHBondContact O-OG 3.36Å
66Q67.9Low69.2Low122 Ų12297.7 Ų97.757%0.5753%0.526SS*.Hα-helixtrans-67.5-35.5171.7-73.7-171-90.700112.1L62 N63 S69 L70L62-Q66 WeakPolarHBondContact O-CG 3.46Å; L62-Q66 PolarHBondContact O-N 3.47Å; N63-Q66 PolarHBondContact O-N 2.79Å; N63-Q66 VanDerWaalsContact O-N 3.15Å; Q66-S69 WeakPolarHBondContact CA-OG 3.19Å; Q66-S69 PolarHBondContact O-N 3.04Å; Q66-S69 PolarHBondContact O-OG 3.34Å; Q66-L70 WeakPolarHBondContact O-CB 3.38Å; Q66-L70 WeakPolarHBondContact O-CG 3.5Å; Q66-L70 PolarHBondContact O-N 3.23Å
67L65.9Low68.5Low115 Ų11596 Ų9660%0.60253%0.526SS*.Hα-helixtrans-64.5-42.8174-145.977.6000111.2N63 A71N63-L67 PolarHBondContact O-N 2.95Å; L67-A71 WeakPolarHBondContact O-CB 3.42Å; L67-A71 PolarHBondContact O-N 3.29Å
68H66.6Low67.6Low145 Ų14595.4 Ų95.467%0.67152%0.524SS*.Hα-helixtrans-65.5-39.2174.4-84.581.9000113.2S64 A65 A71 A72S64-H68 PolarHBondContact O-N 3.07Å; S64-H68 VanDerWaalsContact O-N 3.15Å; S64-H68 PolarHBondContact O-ND1 3.04Å; A65-H68 PolarHBondContact O-N 3.26Å; H68-A71 PolarHBondContact O-N 3.23Å; H68-A72 WeakPolarHBondContact O-CB 3.39Å; H68-A72 PolarHBondContact O-N 3.45Å
69S67.4Low66.3Low64 Ų6494.9 Ų94.945%0.44853%0.53SS..Hα-helixtrans-72.2-35.3178.2670000112.4A65 Q66 A72 V73A65-S69 PolarHBondContact O-N 3.44Å; A65-S69 PolarHBondContact O-OG 3.36Å; Q66-S69 WeakPolarHBondContact CA-OG 3.19Å; Q66-S69 PolarHBondContact O-N 3.04Å; Q66-S69 PolarHBondContact O-OG 3.34Å; S69-A72 PolarHBondContact O-N 3.2Å; S69-V73 WeakPolarHBondContact O-CB 3.5Å; S69-V73 VanDerWaalsContact O-CG2 3.28Å; S69-V73 WeakPolarHBondContact O-CG2 3.42Å; S69-V73 PolarHBondContact O-N 3.04Å
70L68.4Low65Low106 Ų10692.9 Ų92.956%0.55553%0.532SS*.Hα-helixtrans-62.7-44.7169.9-80.8164.5000112Q66 A72 V73 Q74Q66-L70 WeakPolarHBondContact O-CB 3.38Å; Q66-L70 WeakPolarHBondContact O-CG 3.5Å; Q66-L70 PolarHBondContact O-N 3.23Å; L70-A72 PolarHBondContact O-N 3.11Å; L70-V73 PolarHBondContact O-N 2.78Å; L70-Q74 WeakPolarHBondContact O-CG 3.44Å; L70-Q74 PolarHBondContact O-N 3.01Å
71A64.5Low63.6Low46 Ų4691.2 Ų91.238%0.3853%0.533SS..Hα-helixtrans-61.9-42.4175.300000112.2L67 H68 Q74 Q75L67-A71 WeakPolarHBondContact O-CB 3.42Å; L67-A71 PolarHBondContact O-N 3.29Å; H68-A71 PolarHBondContact O-N 3.23Å; A71-Q74 PolarHBondContact O-N 3.34Å; A71-Q75 WeakPolarHBondContact O-CG 3.46Å; A71-Q75 PolarHBondContact O-N 2.76Å
72A63.7Low62.5Low56 Ų5694.7 Ų94.746%0.46354%0.541SS..Hα-helixtrans-65.4-39.8176.300000112.6H68 S69 L70 Q75 A76H68-A72 WeakPolarHBondContact O-CB 3.39Å; H68-A72 PolarHBondContact O-N 3.45Å; S69-A72 PolarHBondContact O-N 3.2Å; L70-A72 PolarHBondContact O-N 3.11Å; A72-Q75 PolarHBondContact O-N 2.7Å; A72-A76 WeakPolarHBondContact O-CB 3.3Å; A72-A76 PolarHBondContact O-N 3.21Å
73V71.1Confident61.3Low89 Ų8998.3 Ų98.354%0.53956%0.555SS.*Hα-helixtrans-66-42.1175.1168.70000111S69 L70 Q75 A76 T77S69-V73 WeakPolarHBondContact O-CB 3.5Å; S69-V73 VanDerWaalsContact O-CG2 3.28Å; S69-V73 WeakPolarHBondContact O-CG2 3.42Å; S69-V73 PolarHBondContact O-N 3.04Å; L70-V73 PolarHBondContact O-N 2.78Å; V73-Q75 PolarHBondContact O-N 3.39Å; V73-A76 PolarHBondContact O-N 3.01Å; V73-T77 PolarHBondContact O-N 3.1Å; V73-T77 PolarHBondContact O-OG1 3.01Å
74Q62.4Low59.8Low128 Ų12897.8 Ų97.860%0.59856%0.564SS**Hα-helixtrans-61.5-43.6174.1-75.2-175.7-5.900112.1L70 A71 A76 T77 I78L70-Q74 WeakPolarHBondContact O-CG 3.44Å; L70-Q74 PolarHBondContact O-N 3.01Å; A71-Q74 PolarHBondContact O-N 3.34Å; Q74-A76 VanDerWaalsContact C-N 3.35Å; Q74-A76 PolarHBondContact O-N 2.92Å; Q74-T77 PolarHBondContact O-N 3.37Å; Q74-I78 WeakPolarHBondContact O-CB 3.41Å; Q74-I78 WeakPolarHBondContact O-CD1 3.29Å; Q74-I78 VanDerWaalsContact O-CG1 3.25Å; Q74-I78 WeakPolarHBondContact O-CG1 3.47Å; Q74-I78 PolarHBondContact O-N 3.47Å
75Q59.3Low58.4Low146 Ų14699.8 Ų99.868%0.68258%0.578SS**Hα-helixtrans-61.5-41.2174.1-73.7-175.22.200112.2A71 A72 V73 I78 A79A71-Q75 WeakPolarHBondContact O-CG 3.46Å; A71-Q75 PolarHBondContact O-N 2.76Å; A72-Q75 PolarHBondContact O-N 2.7Å; V73-Q75 PolarHBondContact O-N 3.39Å; Q75-I78 PolarHBondContact O-N 3.45Å; Q75-A79 WeakPolarHBondContact O-CB 3.44Å; Q75-A79 PolarHBondContact O-N 2.69Å
76A55.8Low56.9Low61 Ų61102.5 Ų102.550%0.50459%0.593SS.*Hα-helixtrans-63.9-41.4175.600000112.5A72 V73 Q74 A79 A80A72-A76 WeakPolarHBondContact O-CB 3.3Å; A72-A76 PolarHBondContact O-N 3.21Å; V73-A76 PolarHBondContact O-N 3.01Å; Q74-A76 VanDerWaalsContact C-N 3.35Å; Q74-A76 PolarHBondContact O-N 2.92Å; A76-A79 PolarHBondContact O-N 3.32Å; A76-A80 WeakPolarHBondContact O-CB 3.27Å; A76-A80 PolarHBondContact O-N 2.87Å
77T68.1Low55.5Low88 Ų88102.7 Ų102.754%0.5461%0.605SS.*Hα-helixtrans-65.5-42.2176-56.20000111.8V73 Q74 A79 A80 S81V73-T77 PolarHBondContact O-N 3.1Å; V73-T77 PolarHBondContact O-OG1 3.01Å; Q74-T77 PolarHBondContact O-N 3.37Å; T77-A79 VanDerWaalsContact C-N 3.34Å; T77-A80 PolarHBondContact O-N 3.3Å; T77-S81 WeakPolarHBondContact O-CB 3.44Å; T77-S81 PolarHBondContact O-N 3.23Å
78I56.1Low53.8Low103 Ų103103 Ų10353%0.52862%0.617SS.*Hα-helixtrans-65.8-37.7176.5-68163.9000111Q74 Q75 R82Q74-I78 WeakPolarHBondContact O-CB 3.41Å; Q74-I78 WeakPolarHBondContact O-CD1 3.29Å; Q74-I78 VanDerWaalsContact O-CG1 3.25Å; Q74-I78 WeakPolarHBondContact O-CG1 3.47Å; Q74-I78 PolarHBondContact O-N 3.47Å; Q75-I78 PolarHBondContact O-N 3.45Å; I78-R82 WeakPolarHBondContact O-CG 3.49Å; I78-R82 PolarHBondContact O-N 2.91Å
79A51.8Low51.9Low62 Ų62102.9 Ų102.951%0.51263%0.627SS.*Hα-helixtrans-67-44.6174.600000112.3Q75 A76 T77 R82Q75-A79 WeakPolarHBondContact O-CB 3.44Å; Q75-A79 PolarHBondContact O-N 2.69Å; A76-A79 PolarHBondContact O-N 3.32Å; T77-A79 VanDerWaalsContact C-N 3.34Å; A79-R82 PolarHBondContact O-N 2.96Å
80A51.5Low50.1Low67 Ų67105.6 Ų105.655%0.55465%0.646SS**Hα-helixtrans-63.4-43.6177.200000112A76 T77 R82 Q83A76-A80 WeakPolarHBondContact O-CB 3.27Å; A76-A80 PolarHBondContact O-N 2.87Å; T77-A80 PolarHBondContact O-N 3.3Å; A80-R82 PolarHBondContact O-N 2.97Å; A80-R82 VanDerWaalsContact O-N 3.14Å; A80-Q83 PolarHBondContact O-N 3.27Å
81S48.4Very low48.4Very low80 Ų80107 Ų10756%0.55966%0.659SS**Hα-helixtrans-61.5-22.9178.1-169.60000113.2T77 Q83T77-S81 WeakPolarHBondContact O-CB 3.44Å; T77-S81 PolarHBondContact O-N 3.23Å; S81-Q83 VanDerWaalsContact C-N 3.34Å
82R47.2Very low47.2Very low203 Ų203110.7 Ų110.777%0.76668%0.679SS**THydrogen-bonded Turntrans-82.1-5.6177.4-75.5179.8174.8-82.30.5114.3I78 A79 A80I78-R82 WeakPolarHBondContact O-CG 3.49Å; I78-R82 PolarHBondContact O-N 2.91Å; A79-R82 PolarHBondContact O-N 2.96Å; A80-R82 PolarHBondContact O-N 2.97Å; A80-R82 VanDerWaalsContact O-N 3.14Å
83Q47.7Very low45.5Very low178 Ų178117 Ų11783%0.83270%0.699SS**THydrogen-bonded Turntrans-102.2-2.7172.1-64.4-160.9-7.900113.8A80 S81 S85A80-Q83 PolarHBondContact O-N 3.27Å; S81-Q83 VanDerWaalsContact C-N 3.34Å; Q83-S85 PolarHBondContact O-N 2.86Å
84A41.8Very low43.4Very low84 Ų84120.8 Ų120.869%0.69471%0.711SS**SBendtrans-95.733.9178.800000113.2
85S36.9Very low41.7Very low100 Ų100120.5 Ų120.570%0.69972%0.718SS**  trans-148.479.6-174.5-63.70000112.6Q83Q83-S85 PolarHBondContact O-N 2.86Å
86S33.2Very low40.2Very low109 Ų109119.2 Ų119.276%0.76272%0.72SS**  trans-100.7131.4167.8-60.80000109.7
87P37.3Very low39Very low127 Ų127121.8 Ų121.883%0.82573%0.73SS**  trans-79.1125.2179.130.7-33000111.5
88S29.7Very low37.1Very low120 Ų120123 Ų12384%0.83974%0.737SS**  trans-105.8118171.2-66.50000110
89T27.6Very low35.7Very low143 Ų143127 Ų12788%0.87775%0.754SS**  trans-102.6119.8178.452.60000111.6
90S29.8Very low34.5Very low121 Ų121128.8 Ų128.885%0.84677%0.768SS**  trans-142.8156.5164.453.70000110.6
91T31.6Very low33.5Very low135 Ų135130.7 Ų130.783%0.82878%0.777SS**  trans-82157-163.341.60000114.8
92P40Very low32.6Very low125 Ų125134.5 Ų134.581%0.81279%0.79SS**  trans-86.9157.8-171.535.5-37.2000114.2
93Q28.3Very low31.8Very low188 Ų188132.2 Ų132.288%0.87979%0.793SS**  trans-144.5164.7156.9-146.9166.84.300110.7
94Q27.2Very low30.7Very low169 Ų169132 Ų13279%0.7980%0.797SS**  trans-78.7158.2-162.6-58.4146.8-69.100114.1
95T26.5Very low29.9Very low122 Ų122132 Ų13275%0.74880%0.797SS**  160.9101.5114.3-63.80000112.9
96T27.5Very low29.8Very low119 Ų119133.8 Ų133.873%0.7380%0.804SS**  trans50.6140.8132.5-26.10000123.8
97T30.2Very low29.6Very low115 Ų115135.3 Ų135.371%0.70681%0.809SS**  trans91.6114.6142.913.20000123.3
98T29.9Very low29.2Very low112 Ų112134.5 Ų134.569%0.68781%0.806SS**  trans62.9116.2134.543.10000124.7
99Q26.2Very low29.1Very low188 Ų188133.6 Ų133.688%0.87981%0.806SS**  64.5165.7120.8-77.5-169.9-14.800122.9
100A27Very low29.2Very low100 Ų100131.8 Ų131.883%0.82681%0.805SS**  trans92.5110.4160.100000118.2
101S29.7Very low29.2Very low106 Ų106134.6 Ų134.674%0.74181%0.805SS**  trans-65.2158.4159.252.90000113.2
102I29.9Very low29.1Very low161 Ų161135.1 Ų135.183%0.82680%0.802SS**  -170.2149.9130-99.2150000110
103N30.1Very low28.6Very low155 Ų155136 Ų13683%0.82980%0.798SS**  trans-108.6127.4171.2-75.4-77.6000110.1
104L24.8Very low28.4Very low173 Ų173131.6 Ų131.691%0.90679%0.788SS**  trans173.4150.4158.4-118.444.6000108.4
105A25.5Very low28.5Very low84 Ų84134.5 Ų134.569%0.69479%0.792SS**  cis-164.5171.1-26.300000109.5
106T33.4Very low28.4Very low138 Ų138132.1 Ų132.185%0.84778%0.78SS**  trans-64.7133.8174.5-52.60000112.9
107T29.7Very low28.4Very low141 Ų141131.3 Ų131.387%0.86577%0.768SS**  trans-160172.7146.31.80000110.7
108S28.6Very low28.2Very low109 Ų109127.6 Ų127.676%0.76275%0.747SS**  trans-130.1159-158.355.90000115.1
109A28.3Very low27.9Very low102 Ų102126.5 Ų126.584%0.84374%0.74SS**  trans87.6172154.500000119.5
110A28.8Very low28Very low104 Ų104121.1 Ų121.186%0.8672%0.723SS**  trans83.1147.5179.800000118.5
111Q31.2Very low28.4Very low181 Ų181121.8 Ų121.885%0.84672%0.721SS**  trans-99.5164.7-169.2-57163.7-34.600111.5
112L29.1Very low29.2Very low146 Ų146122.1 Ų122.176%0.76472%0.721SS**  168.7151.7110.7-89.5175.5000115.7
113I28.4Very low29.1Very low143 Ų143119.7 Ų119.773%0.73372%0.718SS**  trans81.5107.4147-71.7161000121.9
114S24.9Very low29.1Very low95 Ų95116.9 Ų116.966%0.66472%0.717SS**  trans84.8110.4134.9-77.50000126.2
115R28.5Very low29.4Very low231 Ų231114.6 Ų114.687%0.87271%0.71SS**  75137.9120.1-69.8-177.380.6146.23.4119.7
116S25.9Very low29.5Very low72 Ų72116.1 Ų116.150%0.50371%0.711SS.*  cis-158.4168.88-33.80000116
117Q25.7Very low29.3Very low101 Ų101116.5 Ų116.547%0.47271%0.707SS.*  trans67.3139.3144-75.9175.769.100121.7T527 R528Q117-T527 WeakPolarHBondContact O-CA 3.44Å; Q117-T527 WeakPolarHBondContact O-CB 3.26Å; Q117-T527 VanDerWaalsContact O-CG2 3.27Å; Q117-T527 WeakPolarHBondContact O-CG2 3.15Å; Q117-R528 HydrophobicContact CB-CG 4.3Å
118S26.2Very low29.4Very low38 Ų38114.4 Ų114.427%0.26669%0.694SS.*  cis176.5142.8-31.8400000107.9G526 T527 R528S118-G526 CarbonylContact C-O 3.59Å; S118-G526 VanDerWaalsContact CA-O 3.27Å; S118-G526 WeakPolarHBondContact CA-O 3.47Å; S118-T527 VanDerWaalsContact N-CA 3.34Å; S118-R528 WeakPolarHBondContact O-CA 3.43Å; S118-R528 PolarHBondContact O-N 3.31Å
119V25Very low29.5Very low89 Ų89112.9 Ų112.954%0.53968%0.675SS.*  cis-134.5-112.3-12.7-162.90000110.6G526V119-G526 VanDerWaalsContact CA-O 3.25Å; V119-G526 WeakPolarHBondContact CA-O 3.3Å; V119-G526 CarbonylContact O-C 3.4Å; V119-G526 WeakPolarHBondContact O-CA 3.21Å; V119-G526 PolarHBondContact O-N 2.93Å
120S27.4Very low29.7Very low74 Ų74111.3 Ų111.352%0.51766%0.658SS.*  trans-152172.5-162.7-55.70000115.2G526S120-G526 PolarHBondContact OG-N 3.2Å
121S35.2Very low29.8Very low114 Ų114110.5 Ų110.580%0.79764%0.642SS**  trans-73.7-178164.5-38.70000112.2
122P45.8Very low30Very low114 Ų114108.8 Ų108.874%0.7464%0.638SS**  cis-152-163.822.844.6-20.9000119
123S28Very low30.2Very low109 Ų109110 Ų11076%0.76264%0.644SS**  trans77.3100.7145.5-62.70000125.3
124A31.5Very low30.2Very low96 Ų96106.7 Ų106.779%0.79365%0.645SS**  44140.2123.400000125.6
125T29.9Very low30.4Very low126 Ų126109.7 Ų109.777%0.77365%0.654SS**  trans126.998.1136.8-47.90000118.3
126T28.1Very low30.5Very low115 Ų115104.8 Ų104.871%0.70665%0.65SS**  trans57.2120131.9-48.40000124.4
127L29.4Very low30.8Very low146 Ų146107.9 Ų107.976%0.76467%0.666SS**  trans69.5128.7149.7-79168.2000123.8
128T32Very low31Very low97 Ų97108 Ų10860%0.59568%0.678SS**  trans65.291.614445.40000125.2
129Q30.2Very low31.7Very low78 Ų78111.5 Ų111.536%0.36470%0.7SS.*  78.2112104.5-78.3-164.52500126.4R151 P152Q129-R151 HydrophobicContact CB-CB 4.41Å; Q129-R151 HydrophobicContact CB-CG 3.41Å; Q129-R151 VanDerWaalsContact CB-CG 3.41Å; Q129-R151 HydrophobicContact CG-CB 4.38Å; Q129-R151 HydrophobicContact CG-CG 3.42Å; Q129-R151 VanDerWaalsContact CG-CG 3.42Å; Q129-R151 PolarHBondContact O-NH1 3.18Å; Q129-P152 HydrophobicContact CG-CB 3.99Å
130S31.8Very low32.4Very low68 Ų68112.8 Ų112.848%0.47671%0.71SS.*  trans-160.3148.5142.6-151.50000116.7L150 R151S130-L150 CarbonylContact O-C 3.5Å; S130-L150 WeakPolarHBondContact O-CA 3.37Å; S130-L150 PolarHBondContact O-N 3.03Å; S130-R151 WeakPolarHBondContact O-CB 3.31Å
131V31Very low32.3Very low87 Ų87117.3 Ų117.353%0.52773%0.727SS.*  trans-106.6143.5-159.31510000117.2R151V131-R151 HydrophobicContact CB-CB 4.37Å; V131-R151 HydrophobicContact CG2-CB 3.52Å; V131-R151 HydrophobicContact CG2-CG 3.96Å
132L36.8Very low32.2Very low146 Ų146119.6 Ų119.676%0.76473%0.731SS**  trans51.2141.3155.4-98.966.5000126.1
133L32.8Very low31.4Very low171 Ų171123.1 Ų123.190%0.89574%0.737SS**  trans69.4137.2143.8-71.1175.3000124.2
134G29.3Very low31.5Very low73 Ų73122.7 Ų122.775%0.75373%0.734SS**  trans142.8113147.200000117.3
135N27.4Very low31.4Very low158 Ų158127 Ų12785%0.84574%0.737SS**  trans-110.3148.7174-72.44.1000112
136T31.4Very low31.5Very low129 Ų129124.6 Ų124.679%0.79173%0.731SS**  169.2139122.538.20000112.1
137T31.7Very low31.8Very low136 Ų136126.8 Ų126.883%0.83473%0.733SS**  trans62.2163.9168.142.30000117.2
138S30Very low32Very low104 Ų104125.5 Ų125.573%0.72773%0.725SS**  cis-152.1166.7-6.4-119.70000111.8
139P41.7Very low31.9Very low112 Ų112129.7 Ų129.773%0.72773%0.731SS**  trans-96.2174.8175.640.3-35.5000113.1
140P39.3Very low31.9Very low115 Ų115130.5 Ų130.575%0.74774%0.737SS**  cis-130.8147.55.838.7-22.7000116.8
141L25.8Very low31.6Very low170 Ų170133.1 Ų133.189%0.8974%0.737SS**SBendtrans177.6142.5135.4-98.8160.9000110.3
142N31.8Very low32.4Very low162 Ų162132 Ų13287%0.86673%0.731SS**SBendtrans10.8112175.9-111.8-42000119.8
143Q29.9Very low31.9Very low188 Ų188133.5 Ų133.588%0.87973%0.734SS**  trans-75.7156.7179.9-66.9173.8-300113.1
144S30.6Very low31.7Very low99 Ų99133.7 Ų133.769%0.69274%0.735SS**  cis-157.7129.4-1.644.50000108.9
145Q29.2Very low31.6Very low186 Ų186133.2 Ų133.287%0.86973%0.731SS**  60.313990.6-63.1-172.25.100116.7
146A31.8Very low31.6Very low77 Ų77133 Ų13364%0.63673%0.729SS**  cis102.7143.615.300000115.1
147Q34.3Very low31.5Very low161 Ų161134.1 Ų134.175%0.75273%0.73SS**  cis-161.7171-8.2-116.2-179.2123.400113.8
148M32.4Very low31.4Very low119 Ų119134.2 Ų134.259%0.58673%0.725SS**  trans9.3139157.2-82-172.9-85.500124.5
149Y30.6Very low31.2Very low184 Ų184137.2 Ų137.272%0.72273%0.727SS**  trans83.1156.6140.5-66.4174.4000122.3
150L30.5Very low30.4Very low96 Ų96138 Ų13850%0.50373%0.729SS.*  cis-172.2-165.6-36.2-114.6172.6000112.7S130S130-L150 CarbonylContact O-C 3.5Å; S130-L150 WeakPolarHBondContact O-CA 3.37Å; S130-L150 PolarHBondContact O-N 3.03Å
151R25.9Very low29.7Very low123 Ų123139 Ų13946%0.46473%0.728SS.*  trans70.1169167.8-121.5-166.6-164.5108.416.9117.3Q129 S130 V131Q129-R151 HydrophobicContact CB-CB 4.41Å; Q129-R151 HydrophobicContact CB-CG 3.41Å; Q129-R151 VanDerWaalsContact CB-CG 3.41Å; Q129-R151 HydrophobicContact CG-CB 4.38Å; Q129-R151 HydrophobicContact CG-CG 3.42Å; Q129-R151 VanDerWaalsContact CG-CG 3.42Å; Q129-R151 PolarHBondContact O-NH1 3.18Å; S130-R151 WeakPolarHBondContact O-CB 3.31Å; V131-R151 HydrophobicContact CB-CB 4.37Å; V131-R151 HydrophobicContact CG2-CB 3.52Å; V131-R151 HydrophobicContact CG2-CG 3.96Å
152P48.3Very low30Very low64 Ų64140.4 Ų140.442%0.41672%0.722SS.*  -137.5-149.8-90.148.1-30.7000114.4Q129Q129-P152 HydrophobicContact CG-CB 3.99Å
153Q25.7Very low30Very low177 Ų177137.9 Ų137.983%0.82771%0.712SS**  trans106.8160.7146.7-130.1163-9.800117.1
154L28.3Very low30.2Very low174 Ų174137.3 Ų137.391%0.91171%0.714SS**  trans-108.7158.5-169.2-53.387.2000110.9
155G27.4Very low30.1Very low64 Ų64135.7 Ų135.766%0.6671%0.713SS**  trans136.1123.1143.600000116.6
156N26.4Very low30.4Very low153 Ų153138 Ų13882%0.81871%0.714SS**  trans35.5130.1139.4-51.7-29.9000118.8
157L29.4Very low30.2Very low153 Ų153140.4 Ų140.480%0.80172%0.716SS**  -168.6152.681-89.1162.8000113.1
158L29.6Very low30Very low138 Ų138139 Ų13972%0.72372%0.718SS**  trans22119.4146.5-55.8178.1000119.1
159Q26.1Very low31Very low167 Ų167138.5 Ų138.578%0.7872%0.724SS**  68.9100.872.7-172.2-174.121.900114.9
160V26Very low31Very low128 Ų128137.8 Ų137.878%0.77673%0.732SS**  -167.9132.4115.1-91.50000109.4
161N24.3Very low31Very low135 Ų135137.1 Ų137.172%0.72274%0.74SS**  65.913886.7-116.1-4.8000113.8
162R31.6Very low31.1Very low201 Ų201136.6 Ų136.676%0.75876%0.755SS**  cis-170.1142.28.1-160.1174.3171.2-180-1.6114.3
163T31.9Very low30.2Very low108 Ų108141.9 Ų141.966%0.66377%0.774SS**  trans38.8138.4152.158.70000125.1
164L33Very low30.5Very low176 Ų176140.9 Ų140.992%0.92177%0.774SS**  168.4146.8109.8-87.8165000110.5
165G29.2Very low30.5Very low65 Ų65140.1 Ų140.167%0.6777%0.769SS**  cis164.1138.9-1900000115
166R35.5Very low30.6Very low235 Ų235144.8 Ų144.889%0.88778%0.778SS**  trans72153.2166-65.7-174.5156.8162.8-6118.4
167N28Very low30.8Very low127 Ų127145.6 Ų145.668%0.67978%0.779SS**  cis-160.9115.7-7.3-101.1-8.6000113
168V30.6Very low31.8Very low132 Ų132144 Ų14480%0.878%0.778SS**  35143.5112.4179.30000120.4
169P52.1Low31.8Very low109 Ų109145.4 Ų145.471%0.70879%0.786SS**  cis-142.2-168.9-14.240-18.9000118.2
170L31.2Very low32.2Very low168 Ų168140.9 Ų140.988%0.8878%0.784SS**  trans89.8135.9164.8-65172.7000117.5
171A29.6Very low32.5Very low83 Ų83139.1 Ų139.169%0.68678%0.783SS**  cis-148.5157.6-300000114.2
172S28.8Very low32.6Very low111 Ų111139.5 Ų139.578%0.77679%0.79SS**  trans30.3115155.9-55.50000122
173Q29.6Very low32.4Very low175 Ų175134.1 Ų134.182%0.81879%0.788SS**  -169.3156.2107-108.317685.100115.4
174L31.5Very low32.2Very low157 Ų157132.5 Ų132.582%0.82279%0.786SS**  trans55.5102.6157.7-63.6168.9000120.1
175I29.2Very low31.8Very low157 Ų157130 Ų13081%0.80578%0.778SS**  trans-111.8133.5147.7-58169000106.4
176L29.9Very low31.5Very low162 Ų162129 Ų12985%0.84876%0.756SS**  trans-168.3126.2135.5-129.169.6000112.7
177M29.6Very low31.2Very low171 Ų171121.8 Ų121.884%0.84273%0.732SS**  trans-102.9137.5148.9-76.8-160.17300108.6
178P49.8Very low31.1Very low118 Ų118122.7 Ų122.777%0.76673%0.732SS**  trans-81.1166.8163.535-33.4000111.1
179N31.2Very low31.2Very low169 Ų169122.5 Ų122.590%0.90473%0.731SS**  trans-144.8126.2-173.2-178.697.6000112.5
180G34Very low31Very low71 Ų71122.6 Ų122.673%0.73273%0.732SS**  trans104160.5174.200000114.9
181A32.7Very low31.6Very low92 Ų92119.8 Ų119.876%0.7672%0.723SS**  cis-162.8143.8-1.300000114
182V26.8Very low31.4Very low142 Ų142121.3 Ų121.386%0.86172%0.724SS**  trans61.1139.4139.3177.50000121.7
183A26.9Very low31.4Very low88 Ų88123.6 Ų123.673%0.72772%0.723SS**  trans71.6122.4172.600000116
184A26.3Very low31.2Very low75 Ų75119.8 Ų119.862%0.6272%0.716SS**  67.6128.858.400000112.1
185V24.6Very low31.9Very low122 Ų122118.3 Ų118.374%0.73972%0.715SS**  cis-140.1148.233.2169.40000113.2
186Q24.2Very low31.7Very low46 Ų46114.2 Ų114.222%0.21571%0.712CS.*  trans-134130.5149.6-124.683.440.500106.4H402 Q405 Q406 H409Q186-H402 PolarHBondContact N-NE2 2.93Å; Q186-H402 VanDerWaalsContact N-NE2 3.11Å; Q186-Q405 HydrophobicContact CB-CB 4.22Å; Q186-Q406 HydrophobicContact CG-CB 4.34Å; Q186-Q406 VanDerWaalsContact OE1-CB 3.28Å; Q186-H409 HydrophobicContact CG-CB 3.9Å; Q186-H409 PolarHBondContact NE2-CD2 2.91Å
187Q29.6Very low31.6Very low82 Ų82112.3 Ų112.338%0.38371%0.707SS.*  75.8142103.5-175.1-177.717.200114.7Q405Q187-Q405 HydrophobicContact CB-CB 4.42Å; Q187-Q405 PolarHBondContact O-OE1 3Å; Q187-Q405 PolarHBondContact OE1-O 3Å
188E25Very low31.5Very low147 Ų147112.8 Ų112.869%0.68771%0.707SS**  trans-166.8-167.2140-146.6162.891.900110Q405E188-Q405 PolarHBondContact OE2-NE2 3.39Å
189V32.1Very low30.4Very low127 Ų127112.1 Ų112.177%0.7771%0.711SS**  trans73138.3-173.9-170.30000111.8
190P48.1Very low30.2Very low111 Ų111111.2 Ų111.272%0.72171%0.706SS**  cis-118.9-155.420.647.1-33.3000112.3
191P43.7Very low29.9Very low109 Ų109113.5 Ų113.571%0.70871%0.706SS**  cis-127.5-145.1-0.831.5-4.5000112.5
192T26.3Very low29.7Very low115 Ų115115 Ų11571%0.70670%0.702SS**  cis-170.6159.78.72.60000107.3
193Q27.5Very low29.7Very low159 Ų159115.2 Ų115.274%0.74369%0.693SS**  cis-171.9142.5-29.6-132.4-156.7114.400111.2
194S27.3Very low29.9Very low96 Ų96116 Ų11667%0.67169%0.689SS**  trans65.4175.3143.981.20000120.5
195P45.3Very low30.2Very low125 Ų125119.2 Ų119.281%0.81269%0.691SS**  cis-128.7170.9-15.826.3-4.5000115.5
196G24.4Very low30.5Very low72 Ų72119.5 Ų119.574%0.74269%0.688SS**  trans170.7136.8166.600000113.6
197V27.8Very low30.9Very low121 Ų121124.7 Ų124.773%0.73372%0.717SS**  trans-151.4166.2-170.2-74.50000110.6
198H28.1Very low31.2Very low182 Ų182124.9 Ų124.984%0.84373%0.732SS**  cis-114.3-130.97.6-55-107.6000111.4
199A26.9Very low31.5Very low104 Ų104124.7 Ų124.786%0.8674%0.741SS**  cis-146.4-164.312.200000111.5
200D26.8Very low31.7Very low149 Ų149128.1 Ų128.180%0.79774%0.74SS**  trans-132.3161.4-160.4-171.8-107.8000114.8
201T27.6Very low30.7Very low119 Ų119128.1 Ų128.173%0.7374%0.742SS**  trans137120.2154.1-56.40000115.3
202D27.8Very low30.2Very low125 Ų125129.4 Ų129.467%0.66874%0.739SS**  trans12.5159.6144.9-78.8-126.4000124.9
203Q27.8Very low30.6Very low146 Ų146130.9 Ų130.968%0.68274%0.738SS**  cis-177.7170-24.3-155.4-163.8124.500110.2
204V30.8Very low30.6Very low104 Ų104128.5 Ų128.563%0.6373%0.734SS**  trans64.8161.2157.3-105.70000121.5
205Q32Very low30.7Very low142 Ų142129.5 Ų129.566%0.66474%0.741SS**  cis-162.3145.7-6.6-164.847.999.700114.1
206N32.2Very low29.8Very low128 Ų128128.1 Ų128.168%0.68474%0.741SS**  trans62163.5149.4-81.8-13.4000122.3
207L31.3Very low30Very low156 Ų156129.3 Ų129.382%0.81774%0.743SS**  cis-151167.633.4-167.861.2000115.7
208A36.9Very low29.9Very low86 Ų86130.9 Ų130.971%0.71175%0.748SS**  trans-142.4161.3178.900000113.7
209V31.3Very low29.9Very low142 Ų142125.2 Ų125.286%0.86173%0.732SS**  trans-156.1156174.5173.10000110.1
210R36.1Very low29.9Very low200 Ų200128.4 Ų128.476%0.75573%0.729SS**  cis176.6138.9-49.5177.2-178.2173.3104.61.7111
211S26.4Very low30.1Very low111 Ų111127.3 Ų127.378%0.77672%0.723SS**  trans-161127153.8-43.60000108.1
212Q32.7Very low30Very low136 Ų136130.4 Ų130.464%0.63673%0.729SS**  67.1130.864.4-57.8-103.211000111.8
213Q34.9Very low30Very low146 Ų146128.3 Ų128.368%0.68274%0.737SS**  cis-165.9176.33.1-140.5-178.9-100.400107.6
214T27.6Very low30.1Very low109 Ų109127.2 Ų127.267%0.66975%0.745SS**  cis-156.8178.87.5-33.50000109.4
215S29.2Very low29.9Very low116 Ų116126.3 Ų126.381%0.81175%0.749SS**  trans-141.6-178.8178.2-440000111.3
216A28.2Very low29.7Very low97 Ų97128.8 Ų128.880%0.80276%0.761SS**  cis-164-171.59.500000112.6
217A28.4Very low29.4Very low96 Ų96132.8 Ų132.879%0.79377%0.772SS**  trans79.2158.4161.400000118.7
218N25.3Very low29.1Very low155 Ų155129.6 Ų129.683%0.82977%0.768SS**  cis-153.9157.11.5-155.312.2000115.5
219A28.8Very low28.5Very low63 Ų63129.9 Ų129.952%0.52177%0.771SS.*  trans46.6130143.500000127.2
220Q25.9Very low28.6Very low170 Ų170131.1 Ų131.179%0.79477%0.771SS**  92.4117.4125.6-77.9171.1-122.100125.9
221L30.3Very low28.6Very low126 Ų126127.6 Ų127.666%0.6677%0.774SS**  78.9123.8129.1-65.3169.7000124.9
222Q27Very low28.6Very low184 Ų184125.3 Ų125.386%0.8677%0.768SS**  trans38.7132.8131.8-65.1176.5-28.900122.2
223G27.8Very low28.3Very low82 Ų82126.9 Ų126.985%0.84578%0.781SS**  trans176.1102.8162.700000117.7
224S28.5Very low28Very low122 Ų122125.1 Ų125.185%0.85379%0.785SS**  trans-42.9133.5178.6-51.70000121.4
225A27.9Very low28.3Very low86 Ų86128.7 Ų128.771%0.71179%0.794SS**  54.7134.5118.700000124.9
226Q28.1Very low28.9Very low194 Ų194128.9 Ų128.991%0.90779%0.792SS**  trans63.9126.4144.2-67.7177.72.800122.3
227K25.5Very low28.9Very low212 Ų212130.3 Ų130.392%0.92280%0.796SS**  -173.4172.8103.8-164.5161.5177.9-177.80110.6
228A25.2Very low28.8Very low89 Ų89129.3 Ų129.374%0.73680%0.795SS**  trans-140.1176.7-17200000114.5
229A24.4Very low28.9Very low92 Ų92130 Ų13076%0.7680%0.798SS**  trans93.7125.4159.500000121
230L31.5Very low29.8Very low168 Ų168131.8 Ų131.888%0.8881%0.805SS**  31.1160121.2-61174.8000121
231P38.1Very low29.9Very low125 Ų125132.7 Ų132.781%0.81281%0.809SS**  cis-122.7-1641544-29.6000113.5
232G26Very low29.7Very low63 Ų63130.9 Ų130.965%0.64981%0.812SS**  cis136.2153-10.500000114.8
233N26.6Very low29.7Very low169 Ų169128.6 Ų128.690%0.90481%0.811SS**  trans64.8158.5-176.8-85.29.6000116.8
234S26.8Very low29.8Very low110 Ų110131.2 Ų131.277%0.76981%0.805SS**  cis-157165.94.823.30000112.7
235Q34.4Very low29.9Very low184 Ų184131.7 Ų131.786%0.8680%0.803SS**  trans-90.7175.4168.5-52.5-175.9-73.100112.2
236P42.1Very low29.9Very low119 Ų119131.1 Ų131.177%0.77381%0.806SS**  -154.2160.684.940.2-20.8000119.4
237S29.3Very low30.3Very low127 Ų127131.4 Ų131.489%0.88881%0.807SS**  trans40.2135.3142-54.90000125.3
238G25.3Very low30.3Very low75 Ų75127.2 Ų127.277%0.77380%0.8SS**  trans-168.3137158.900000113.4
239L28.3Very low30.4Very low169 Ų169130.8 Ų130.889%0.88581%0.806SS**  trans-131.8172-176.7-11974.4000109.2
240P47.3Very low30.9Very low102 Ų102131 Ų13166%0.66281%0.807SS**  cis-138.3-180-14.942.2-25.7000115.7
241Q27.8Very low31Very low189 Ų189130.4 Ų130.488%0.88381%0.81SS**  trans73.7144.1144.6-155.8162.127.200120.7
242A26.2Very low30.6Very low88 Ų88128.4 Ų128.473%0.72781%0.805SS**  trans-135.4159.7178.300000111.1
243T27.5Very low30.8Very low135 Ų135134.4 Ų134.483%0.82882%0.816SS**  trans-152.3131.1159.99.20000111.9
244N29.7Very low30.9Very low137 Ų137131.1 Ų131.173%0.73381%0.812SS**  trans33.2116.2156.2-84.3-50.2000122.8
245T30.3Very low31Very low132 Ų132130.1 Ų130.181%0.8181%0.811SS**  34.6136.111364.60000120.8
246G28.4Very low30.8Very low75 Ų75126.6 Ų126.677%0.77381%0.806SS**  trans160.2103.8161.200000114.7
247Q35.6Very low30.1Very low199 Ų199126.7 Ų126.793%0.9381%0.81SS**  trans-83138.2166.6-68.9176.8-5.800110.5
248T25.4Very low30.1Very low125 Ų125126 Ų12677%0.76781%0.805SS**  trans-141.9160.4163.558.10000107.2
249L28.2Very low31.3Very low164 Ų164128.7 Ų128.786%0.85981%0.808SS**  cis-138.315726.6-56.790.5000113.1
250A34.5Very low31.3Very low95 Ų95124.1 Ų124.179%0.78580%0.803SS**  trans-154.886155.600000113.1
251V33.4Very low30.5Very low156 Ų156128 Ų12895%0.94581%0.812SS**  trans63167.7153.5-172.30000116.5
252A30Very low30.4Very low84 Ų84123 Ų12369%0.69480%0.798SS**  trans-123.5152.1-155.800000116.2
253Q30.1Very low30.6Very low189 Ų189126.3 Ų126.388%0.88380%0.802SS**  trans69.9105.8151.6-75.3-177.6-11.900121.7
254A28.6Very low30.5Very low99 Ų99125.6 Ų125.682%0.81879%0.794SS**  112.1152.311100000120.6
255A29.4Very low30.5Very low90 Ų90125.7 Ų125.774%0.74479%0.793SS**  trans76.277161.900000121.2
256S29.1Very low30.6Very low110 Ų110123 Ų12377%0.76978%0.78SS**  58.1140.1122.561.90000124.5
257S28.4Very low30.8Very low121 Ų121128.5 Ų128.585%0.84679%0.786SS**  trans91.5154151.178.40000119.9
258S29.1Very low30.5Very low113 Ų113122.4 Ų122.479%0.7978%0.776SS**  trans-115-171.7-172.6-31.30000109.9
259P50.9Low30.7Very low130 Ų130120.7 Ų120.784%0.84478%0.775SS**  cis-124.4-173.4-23.440.1-25.3000111.4
260G27Very low30.8Very low74 Ų74119.8 Ų119.876%0.76378%0.776SS**  trans161.9102.2161.600000120.1
261Q30.4Very low30.6Very low182 Ų182118.8 Ų118.885%0.8578%0.775SS**  trans14.7134139.9-70.8-158.861.600123.6
262S25.6Very low30.6Very low86 Ų86116.3 Ų116.360%0.60177%0.765SS**  76.2130.7124.2-65.50000123.4
263L30.5Very low30.7Very low156 Ų156120.3 Ų120.382%0.81777%0.774SS**  trans70.3155.7137.8-67.8174.6000118
264N26.5Very low30.6Very low120 Ų120114.7 Ų114.764%0.64277%0.767SS**  cis-163.3147.3-21.4-168.9-115.9000109.1
265L29.5Very low30.9Very low139 Ų139117.8 Ų117.873%0.72877%0.769SS**  trans46.6142.6154.2-100.560.4000124.5
266S31.5Very low30.9Very low77 Ų77119.1 Ų119.154%0.53877%0.772SS.*  trans84.7117.9130.4-73.50000124.3
267Q32.1Very low30.9Very low189 Ų189117.8 Ų117.888%0.88378%0.776SS**  76.4159.6125.4-63.2173.866.700121.2
268G29.6Very low31.1Very low71 Ų71115.2 Ų115.273%0.73277%0.768SS**  trans107.196.9179.900000112.6
269A31.2Very low31.3Very low89 Ų89116.7 Ų116.774%0.73677%0.773SS**  70.299.657.700000112.1
270T30.2Very low30.3Very low146 Ų146117 Ų11790%0.89677%0.772SS**  111131.670.739.80000111.4
271G29.5Very low30.5Very low74 Ų74117.3 Ų117.376%0.76377%0.767SS**  trans98.3157166.200000115.8
272S34.3Very low30.4Very low103 Ų103114.1 Ų114.172%0.7277%0.765SS**  cis-172.6153.1-1443.20000111.4
273N30.7Very low30.6Very low168 Ų168115.9 Ų115.990%0.89878%0.777SS**  trans67.5143.7165.5-55.7-16.8000118.5
274G28.9Very low30.4Very low71 Ų71111.4 Ų111.473%0.73277%0.768SS**  trans173.1133.5173.200000112.1
275I34.5Very low30.6Very low165 Ų165111.3 Ų111.385%0.84678%0.777SS**  trans-105.1167-163-35.490.6000112.2
276S30.4Very low30.8Very low117 Ų117113 Ų11382%0.81878%0.781SS**  trans-29.8144.3169.3-48.30000117
277G28.1Very low30.8Very low82 Ų82115.2 Ų115.285%0.84579%0.792SS**  trans-103.5-164175.100000115
278G32.5Very low30.9Very low67 Ų67111 Ų11169%0.69178%0.783SS**  trans125.8121.8161.200000116.8
279V32.6Very low31.1Very low145 Ų145113.8 Ų113.888%0.87979%0.786SS**  trans61.2157.5156.1-49.10000117.9
280V31.8Very low31.1Very low136 Ų136112.2 Ų112.282%0.82478%0.779SS**  cis-114.2-139.35.6-80.60000110.2
281A29.6Very low31.3Very low81 Ų81112.9 Ų112.967%0.66978%0.776SS**  cis-162.9173.9-0.300000111.5
282S29.7Very low31.3Very low115 Ų115113.4 Ų113.480%0.80477%0.768SS**  trans56.4109.2162.5-60.50000118.9
283S28.1Very low31.1Very low123 Ų123117.3 Ų117.386%0.8678%0.775SS**  83.7122.260.4-171.10000113.9
284G28Very low31Very low61 Ų61113.5 Ų113.563%0.62977%0.767SS**  cis166179-3.800000114.8
285S31Very low31Very low118 Ų118115.8 Ų115.883%0.82577%0.771SS**  trans76.3155.3168.8-34.90000117
286Q32.8Very low30.7Very low174 Ų174112.9 Ų112.981%0.81377%0.766SS**  cis-137.7145.410.6-65.117818.100113.7
287T31.9Very low30.5Very low124 Ų124112.1 Ų112.176%0.76177%0.766SS**  trans33.5144.2141.160.80000122.8
288S34.3Very low30.6Very low101 Ų101111.4 Ų111.471%0.70676%0.759SS**  cis-170.7-161.4-10.750.20000106.6
289T32.6Very low31.3Very low129 Ų129114.1 Ų114.179%0.79177%0.765SS**  cis-163.1162.86.8-16.30000105.9L291T289-L291 HydrophobicContact CG2-CD1 4.47Å
290G31.2Very low31Very low57 Ų57112.2 Ų112.259%0.58876%0.764SS**  cis-157151.6-8.900000108.9
291L34.1Very low30.7Very low159 Ų159109.2 Ų109.283%0.83276%0.76SS**  74.1130.689.4-63.7175000113.4T289T289-L291 HydrophobicContact CG2-CD1 4.47Å
292S30.3Very low30.6Very low86 Ų86110.6 Ų110.660%0.60177%0.765SS**  cis-173.3174.32.4-133.90000114.4
293Q31.3Very low30.4Very low185 Ų185110.7 Ų110.786%0.86477%0.765SS**  trans69149.3152-74.3171.9100.100118.4
294A28Very low30.4Very low87 Ų87112.9 Ų112.972%0.71976%0.761SS**  cis-154-162.3-11.500000107.4
295S27.7Very low30.5Very low119 Ų119120.3 Ų120.383%0.83277%0.77SS**  cis-159.8-174.66.4-159.40000111
296S28.2Very low30.4Very low105 Ų105124.4 Ų124.473%0.73477%0.773SS**  trans-119.1143.217460.40000112.6
297A27Very low30.3Very low100 Ų100118.9 Ų118.983%0.82676%0.763SS**  trans165.1155.4139.100000113.3
298G30.6Very low30.3Very low67 Ų67120.4 Ų120.469%0.69177%0.772SS**  trans-99.2-152150.500000109.9
299P47.6Very low30Very low125 Ų125118.7 Ų118.781%0.81277%0.771SS**  cis-132.8-169.4-0.943.3-27.1000113.4
300A25.3Very low29.8Very low105 Ų105119.4 Ų119.487%0.86878%0.775SS**  trans64.5155.616000000118.4
301G25.2Very low29.7Very low72 Ų72123.1 Ų123.174%0.74279%0.786SS**  cis165.2-176.4-9.800000113.6
302S27.9Very low29.4Very low110 Ų110123.3 Ų123.377%0.76978%0.782SS**  trans74.996.9162.3-158.40000120.7
303C25.3Very low29.7Very low118 Ų118124.4 Ų124.480%0.79779%0.788SS**  64.5163.4128.2-59.20000120.5
304Q28.8Very low29.8Very low168 Ų168121.9 Ų121.979%0.78578%0.779SS**  cis-125.7150.21.4-76.8-16810.500110.7
305R29.4Very low30.3Very low217 Ų217123 Ų12382%0.81978%0.779SS**  44.512895.6-136-168-71.4-97.33112.6
306K29.1Very low30.2Very low204 Ų204124 Ų12489%0.88777%0.774SS**  cis-177.7150.545.3-164.2177.2-177-175.40106.7
307G30.1Very low30.1Very low58 Ų58123.8 Ų123.860%0.59878%0.778SS**  cis172.2178.5-500000110.7
308T31.5Very low30.2Very low156 Ų156123 Ų12396%0.95777%0.772SS**  trans57.4124.8164.752.50000120.2
309G29.1Very low30Very low65 Ų65123.6 Ų123.667%0.6777%0.77SS**  cis164.1171.2-8.800000114.5
310V27.8Very low29.1Very low145 Ų145124.9 Ų124.988%0.87977%0.765SS**  trans53139158.6-107.20000119.1
311V28.7Very low29.2Very low134 Ų134123.7 Ų123.781%0.81276%0.755SS**  cis-141.2163.816-160.10000111.3
312Q27.7Very low30Very low163 Ų163126.5 Ų126.576%0.76276%0.758SS**  trans-68.8179.9160.9-112.7-147.593.800112.3
313P36.8Very low30.1Very low110 Ų110128.1 Ų128.171%0.71476%0.763SS**  cis-134.5-176.516.643.4-25.9000117.3
314L35Very low30.8Very low132 Ų132128.6 Ų128.669%0.69176%0.762SS**  trans-105.7146.3167.3-163.976.9000110.7I316L314-I316 HydrophobicContact CD2-CD1 4.33Å; L314-I316 HydrophobicContact CD2-CG1 4.02Å; L314-I316 HydrophobicContact CG-CG1 4.46Å
315P37.4Very low30.7Very low111 Ų111125.9 Ų125.972%0.72176%0.762SS**  -135155.4121.337-27.1000111.4
316I25.7Very low31Very low140 Ų140124.6 Ų124.672%0.71877%0.765SS**  cis81.4106.933.5-58.3178.3000114.6L314L314-I316 HydrophobicContact CD2-CD1 4.33Å; L314-I316 HydrophobicContact CD2-CG1 4.02Å; L314-I316 HydrophobicContact CG-CG1 4.46Å
317A27Very low31Very low100 Ų100118.4 Ų118.483%0.82676%0.759SS**  trans59.5171.3162.700000116.6
318A28.6Very low31.2Very low84 Ų84121.1 Ų121.169%0.69477%0.769SS**  cis-135170100000108.5
319A26.7Very low31.1Very low78 Ų78122.2 Ų122.265%0.64576%0.763SS**  cis57.5140.448.600000113.2
320Q28.5Very low31.3Very low152 Ų152124.9 Ų124.971%0.7177%0.766SS**  cis-162.5-167.55.3-119.8171.348.200111.2
321A26.6Very low31.3Very low80 Ų80125.8 Ų125.866%0.66176%0.761SS**  trans28.4141.9155.500000122.2
322V43.2Very low31.4Very low132 Ų132125 Ų12580%0.876%0.757SS**  cis72.4110.837.8-176.60000115.4
323T28.9Very low31.5Very low144 Ų144125.4 Ų125.488%0.88376%0.759SS**  trans-148.1168.1160.146.40000111.4
324V39.4Very low31.1Very low127 Ų127126.2 Ų126.277%0.7776%0.757SS**  trans-144.9144.3-172.2173.20000110.9
325S28.2Very low31Very low112 Ų112124.1 Ų124.178%0.78376%0.759SS**  trans-168.4142.5154.3-77.40000108.4
326Q35.1Very low30.7Very low190 Ų190124.5 Ų124.589%0.88876%0.759SS**  cis80.9121.741.4-72.9-108.177.400114.5
327G29Very low31.1Very low73 Ų73123.5 Ų123.575%0.75376%0.76SS**  trans162.4153.1179.100000112.7
328S33.3Very low31.5Very low116 Ų116127.4 Ų127.481%0.81176%0.758SS**  trans-147.4157.8-168.1-52.70000115.7
329Q30.6Very low31.5Very low179 Ų179130.9 Ų130.984%0.83676%0.758SS**  trans-171.9123.3156.9-98.5152.955.800107
330T33.7Very low31.8Very low120 Ų120130 Ų13074%0.73676%0.756SS**  56.7139.790.858.50000114.5
331E28.2Very low31.8Very low164 Ų164130.8 Ų130.877%0.76676%0.76SS**  cis-160.7-178.724.5-139.8171.2116.400114.9
332T30.5Very low31.9Very low117 Ų117131.9 Ų131.972%0.71877%0.768SS**  trans48.9104.7158.757.50000123.4
333E29.2Very low31.3Very low173 Ų173132.3 Ų132.381%0.80877%0.766SS**  29.2131.5111.6-150.2-171.3105.300123.1
334N28.3Very low31.4Very low126 Ų126130.8 Ų130.867%0.67476%0.761SS**  143.3150.2115.8-148.1-44.9000113.7
335A33.2Very low31Very low89 Ų89128.4 Ų128.474%0.73676%0.763SS**  trans-157.7121.2-177.300000114.3
336T31.3Very low31.1Very low118 Ų118126.7 Ų126.772%0.72476%0.763SS**  trans-152.6119172.51.70000116.4
337T33Very low30.9Very low119 Ų119125.8 Ų125.873%0.7376%0.759SS**  trans51.8113.6134.353.80000125
338K35.2Very low31.1Very low183 Ų183129.9 Ų129.980%0.79676%0.758SS**  71.1129.8103.3-169.9-167.6176.5-170.40121.9
339K30.3Very low31.2Very low157 Ų157130.1 Ų130.168%0.68376%0.755SS**  trans66.5155.4165.3-100.4-178.4139.5-76.10115.8E341K339-E341 IonicContact NZ-OE2 2.99Å; K339-E341 PolarHBondContact NZ-OE2 3.33Å
340G31.3Very low31.4Very low59 Ų59128.7 Ų128.761%0.60876%0.758SS**  cis118.294.1-22.500000117.9
341E28.8Very low31.3Very low169 Ų169126 Ų12679%0.7975%0.754SS**  trans-178.7159.5144.9-112.2166.778.800113.1K339K339-E341 IonicContact NZ-OE2 2.99Å; K339-E341 PolarHBondContact NZ-OE2 3.33Å
342A30.1Very low31.6Very low102 Ų102126.7 Ų126.784%0.84376%0.759SS**  trans59.2169163.300000121
343D30.7Very low31.6Very low142 Ų142128.8 Ų128.876%0.75977%0.766SS**  cis-174.5165-49.1-177.9-118.4000109.5
344S31Very low31.8Very low111 Ų111127.7 Ų127.778%0.77677%0.765SS**  trans70.8137.9159.8-80.30000121.7
345G30.1Very low32.2Very low78 Ų78128 Ų12880%0.80477%0.771SS**  trans139.7103154.200000118.6
346G30Very low32.2Very low76 Ų76134.9 Ų134.978%0.78478%0.779SS**  trans55.1129.4155.100000120.6
347Q31.8Very low32.4Very low170 Ų170135 Ų13579%0.79478%0.779SS**  cis97.9133.739.8-85.3-153.78.500115.6
348Q33.2Very low32.3Very low160 Ų160134 Ų13475%0.74878%0.783SS**  trans67.4127.3159.3-65.6179.465.400116.9
349T33.7Very low32.4Very low120 Ų120131.7 Ų131.774%0.73678%0.784SS**  cis107.7158.829.355.20000113
350V35.2Very low32.9Very low149 Ų149130.6 Ų130.690%0.90379%0.793SS**  trans77.1139.2-173.6-167.20000113.8
351G31.9Very low32.9Very low63 Ų63132 Ų13265%0.64980%0.8SS**  cis160.1139.9-13.800000114.7
352M35.3Very low33.8Very low180 Ų180129.4 Ų129.489%0.88780%0.797SS**  trans56.4135.8161.1-64.2-176.5170.400121.3
353N30.4Very low33.8Very low161 Ų161129.6 Ų129.686%0.86179%0.792SS**  trans-150.3166.7140.1-136.3-88.2000112.5
354L32.6Very low34.1Very low150 Ų150131.6 Ų131.679%0.78580%0.797SS**  trans-122.6155.1-163.3-112.471.2000114.5
355T36.9Very low34.4Very low131 Ų131132.7 Ų132.780%0.80480%0.799SS**  trans-53135.9170.2-540000114.6
356R33.9Very low34.7Very low235 Ų235136.6 Ų136.689%0.88780%0.801SS**  -168.3159.7114.8-147154.1-179.9-91.92.1114.9
357T34.9Very low35Very low121 Ų121140.8 Ų140.874%0.74280%0.804SS**  trans-95.7147-171.3-20.10000113.9
358A31.9Very low35.1Very low97 Ų97137.3 Ų137.380%0.80280%0.798SS**  trans-157.9145.8153.600000111.8
359T37.3Very low35.2Very low135 Ų135135 Ų13583%0.82880%0.799SS**  trans-139.5143.6167.334.40000107.5
360P40.6Very low35.2Very low133 Ų133133.8 Ų133.886%0.86480%0.802SS**  -143.1-173.589.538.6-21.6000114.2
361A30.3Very low35.6Very low90 Ų90132.8 Ų132.874%0.74480%0.796SS**  trans-124.5176.3177.400000109.1
362P48.6Very low36Very low113 Ų113139.9 Ų139.973%0.73481%0.805SS**  cis-138.4-172.9843.8-26.2000116.6
363S29.8Very low36.7Very low107 Ų107136.6 Ų136.675%0.74880%0.795SS**  trans92.7145.8158.580.70000119.4
364Q35.9Very low37.5Very low184 Ų184136.2 Ų136.286%0.8679%0.788SS**  trans54.8100.9173.6-63.7-6875.300117.9
365T38Very low38.5Very low133 Ų133135 Ų13582%0.81678%0.781SS**  trans-138.9124.4161.2-50.20000110.1
366L37.4Very low39.2Very low161 Ų161134.8 Ų134.884%0.84377%0.771SS**  trans-68.1127.9173-69.2159.3000109.4S368L366-S368 PolarHBondContact O-N 2.87Å
367I35.4Very low40.4Very low164 Ų164128.2 Ų128.284%0.84176%0.759SS**  trans-79.686.9-180-54.2179.3000109.7
368S34.1Very low41.4Very low96 Ų96128.3 Ų128.367%0.67175%0.75SS**  trans-84.6135.1162.1-66.10000110.2L366L366-S368 PolarHBondContact O-N 2.87Å
369S35.1Very low43Very low112 Ų112127.2 Ų127.278%0.78374%0.737SS**  trans41.986.6160.556.40000116.6T371S369-T371 PolarHBondContact O-N 3.2Å
370A34.5Very low44.7Very low95 Ų95125.5 Ų125.579%0.78572%0.722SS**  trans-67.4125.2171.100000111.1Y372A370-Y372 PolarHBondContact O-N 3.47Å
371T43.5Very low46.3Very low127 Ų127124.3 Ų124.378%0.77971%0.707SS**  trans-58.6123.2176.1-53.50000110.9S369 T373S369-T371 PolarHBondContact O-N 3.2Å; T371-T373 PolarHBondContact O-N 3.21Å
372Y39.1Very low48.6Very low212 Ų212125 Ų12583%0.83170%0.695SS**  trans-67.293.9174.5-177.3-94.3000110.3A370 Q374A370-Y372 PolarHBondContact O-N 3.47Å; Y372-Q374 PolarHBondContact O-N 2.97Å
373T50.2Low50.1Low111 Ų111125.4 Ų125.468%0.68169%0.687SS**  trans-72.2110.7171.343.20000108.8T371 I375T371-T373 PolarHBondContact O-N 3.21Å; T373-I375 PolarHBondContact O-N 3.46Å
374Q47.7Very low52.3Low154 Ų154126.8 Ų126.872%0.7268%0.682SS**  trans-62.699.7175.9-175.6-165.888.800109.5Y372 Q376Y372-Q374 PolarHBondContact O-N 2.97Å; Q374-Q376 PolarHBondContact O-N 3Å; Q374-Q376 VanDerWaalsContact O-N 3.08Å
375I53.2Low54.2Low123 Ų123123.7 Ų123.763%0.63167%0.667SS**  trans-64.2111.9174.4-59.7176.5000107.7T373T373-I375 PolarHBondContact O-N 3.46Å
376Q51.8Low56Low128 Ų128124.1 Ų124.160%0.59866%0.66SS**  trans-59.4132.9174.5-71.4-169.83.100109.6Q374 H378 S379Q374-Q376 PolarHBondContact O-N 3Å; Q374-Q376 VanDerWaalsContact O-N 3.08Å; Q376-H378 PolarHBondContact O-N 3.1Å; Q376-S379 PolarHBondContact O-N 3.4Å; Q376-S379 VanDerWaalsContact O-N 3.11Å
377P59.5Low58.1Low97 Ų97120.9 Ų120.963%0.6364%0.643SS**Hα-helixtrans-61-24.2-174.223-33.7000113S379 L380 I381P377-S379 VanDerWaalsContact C-N 3.33Å; P377-S379 PolarHBondContact O-N 3.45Å; P377-L380 PolarHBondContact O-N 3.39Å; P377-I381 WeakPolarHBondContact O-CD1 3.36Å; P377-I381 VanDerWaalsContact O-CG1 3.3Å; P377-I381 WeakPolarHBondContact O-CG1 3.38Å; P377-I381 PolarHBondContact O-N 2.87Å; P377-I381 VanDerWaalsContact O-N 3.1Å
378H56.3Low59.9Low123 Ų123119.3 Ų119.357%0.56963%0.631SS**Hα-helixtrans-58-41.2176.7-162.1-80.8000112.8Q376 L380 I381 Q382Q376-H378 PolarHBondContact O-N 3.1Å; H378-L380 PolarHBondContact O-N 3Å; H378-I381 PolarHBondContact O-N 3.13Å; H378-Q382 WeakPolarHBondContact O-CB 3.33Å; H378-Q382 PolarHBondContact O-N 3.28Å
379S64.7Low62.4Low73 Ų73119.8 Ų119.851%0.5163%0.626SS.*Hα-helixtrans-67.7-37.5-179-57.10000112.3Q376 P377 Q382 Q383Q376-S379 PolarHBondContact O-N 3.4Å; Q376-S379 VanDerWaalsContact O-N 3.11Å; P377-S379 VanDerWaalsContact C-N 3.33Å; P377-S379 PolarHBondContact O-N 3.45Å; S379-Q382 PolarHBondContact O-N 3.33Å; S379-Q383 WeakPolarHBondContact O-CB 3.25Å; S379-Q383 PolarHBondContact O-N 3.5Å
380L72.7Confident64.5Low100 Ų100121 Ų12152%0.52462%0.619SS.*Hα-helixtrans-69.4-40177.5-158.180.3000111.4P377 H378 Q383 Q384P377-L380 PolarHBondContact O-N 3.39Å; H378-L380 PolarHBondContact O-N 3Å; L380-Q383 PolarHBondContact O-N 3.47Å; L380-Q384 WeakPolarHBondContact O-CB 3.35Å; L380-Q384 PolarHBondContact O-N 2.84Å
381I75.4Confident66.6Low107 Ų107121.9 Ų121.955%0.54961%0.605SS.*Hα-helixtrans-63.6-44.1175-67.2164.2000110.6P377 H378 Q384 Q385P377-I381 WeakPolarHBondContact O-CD1 3.36Å; P377-I381 VanDerWaalsContact O-CG1 3.3Å; P377-I381 WeakPolarHBondContact O-CG1 3.38Å; P377-I381 PolarHBondContact O-N 2.87Å; P377-I381 VanDerWaalsContact O-N 3.1Å; H378-I381 PolarHBondContact O-N 3.13Å; I381-Q384 PolarHBondContact O-N 3.13Å; I381-Q385 WeakPolarHBondContact O-CB 3.34Å; I381-Q385 PolarHBondContact O-N 3.37Å
382Q77.9Confident68.3Low106 Ų106121.3 Ų121.350%0.49559%0.594SS.*Hα-helixtrans-60.9-46.9176.8-166.3107.668.500111.5H378 S379 Q385 Q386H378-Q382 WeakPolarHBondContact O-CB 3.33Å; H378-Q382 PolarHBondContact O-N 3.28Å; S379-Q382 PolarHBondContact O-N 3.33Å; Q382-Q385 PolarHBondContact O-N 3.35Å; Q382-Q386 PolarHBondContact O-N 3.41Å
383Q79.1Confident70.5Confident120 Ų120115.9 Ų115.956%0.56158%0.583SS**Hα-helixtrans-62-46.2177.2-175.4179.959.900111.7S379 L380 Q385 Q386 I387S379-Q383 WeakPolarHBondContact O-CB 3.25Å; S379-Q383 PolarHBondContact O-N 3.5Å; L380-Q383 PolarHBondContact O-N 3.47Å; Q383-Q385 VanDerWaalsContact C-N 3.32Å; Q383-Q385 PolarHBondContact O-N 3.25Å; Q383-Q386 PolarHBondContact O-N 3.3Å; Q383-I387 HydrophobicContact CG-CD1 4.07Å; Q383-I387 WeakPolarHBondContact O-CG1 3.41Å; Q383-I387 PolarHBondContact O-N 3.15Å
384Q76.8Confident72.3Confident137 Ų137114.7 Ų114.764%0.6458%0.575SS**Hα-helixtrans-62.9-38.2178.4-173.3170.999.500112L380 I381 I387 H388L380-Q384 WeakPolarHBondContact O-CB 3.35Å; L380-Q384 PolarHBondContact O-N 2.84Å; I381-Q384 PolarHBondContact O-N 3.13Å; Q384-I387 PolarHBondContact O-N 3.41Å; Q384-H388 PolarHBondContact O-N 2.82Å
385Q75.8Confident74.3Confident119 Ų119112 Ų11256%0.55657%0.565SS**Hα-helixtrans-68.6-37.9176.9-170.1166.392.600112.4I381 Q382 Q383 H388 L389I381-Q385 WeakPolarHBondContact O-CB 3.34Å; I381-Q385 PolarHBondContact O-N 3.37Å; Q382-Q385 PolarHBondContact O-N 3.35Å; Q383-Q385 VanDerWaalsContact C-N 3.32Å; Q383-Q385 PolarHBondContact O-N 3.25Å; Q385-H388 WeakPolarHBondContact O-CB 3.44Å; Q385-H388 PolarHBondContact O-N 3.32Å; Q385-L389 PolarHBondContact O-N 3.19Å
386Q76.3Confident75.8Confident142 Ų142112 Ų11266%0.66456%0.562SS**Hα-helixtrans-67.5-40.1174.8-173.3167.6-8.900112.3Q382 Q383 H388 L389 Q390Q382-Q386 PolarHBondContact O-N 3.41Å; Q383-Q386 PolarHBondContact O-N 3.3Å; Q386-H388 VanDerWaalsContact C-N 3.3Å; Q386-H388 PolarHBondContact O-N 2.86Å; Q386-L389 PolarHBondContact O-N 2.81Å; Q386-Q390 PolarHBondContact O-N 2.84Å
387I80.3Confident77.5Confident93 Ų93111.6 Ų111.648%0.47756%0.56SS.*Hα-helixtrans-61.4-39.8171.6-67.7165.6000110.6Q383 Q384 Q390 K391Q383-I387 HydrophobicContact CG-CD1 4.07Å; Q383-I387 WeakPolarHBondContact O-CG1 3.41Å; Q383-I387 PolarHBondContact O-N 3.15Å; Q384-I387 PolarHBondContact O-N 3.41Å; I387-Q390 PolarHBondContact O-N 3.26Å; I387-K391 WeakPolarHBondContact O-CB 3.47Å; I387-K391 PolarHBondContact O-N 3.43Å
388H74.8Confident78.8Confident130 Ų130112.8 Ų112.860%0.60256%0.557SS**Hα-helixtrans-63.9-45178-135.693.7000112.2Q384 Q385 Q386 Q390 K391 Q392Q384-H388 PolarHBondContact O-N 2.82Å; Q385-H388 WeakPolarHBondContact O-CB 3.44Å; Q385-H388 PolarHBondContact O-N 3.32Å; Q386-H388 VanDerWaalsContact C-N 3.3Å; Q386-H388 PolarHBondContact O-N 2.86Å; H388-Q390 PolarHBondContact O-N 3.02Å; H388-K391 PolarHBondContact O-N 3.29Å; H388-Q392 WeakPolarHBondContact O-CB 3.28Å; H388-Q392 PolarHBondContact O-N 3.11Å
389L85Confident80.3Confident106 Ų106111.6 Ų111.656%0.55555%0.554SS**Hα-helixtrans-60.3-43.9173.8-10265.7000111.8Q385 Q386 Q392 V393Q385-L389 PolarHBondContact O-N 3.19Å; Q386-L389 PolarHBondContact O-N 2.81Å; L389-Q392 PolarHBondContact O-N 2.98Å; L389-V393 WeakPolarHBondContact O-CG2 3.48Å; L389-V393 PolarHBondContact O-N 3.39Å
390Q80.4Confident81.3Confident137 Ų137110.7 Ų110.764%0.6455%0.551SS**Hα-helixtrans-64.3-44.4178.8-165.9176.228.600111.7Q386 I387 H388 Q392 V393 V394Q386-Q390 PolarHBondContact O-N 2.84Å; I387-Q390 PolarHBondContact O-N 3.26Å; H388-Q390 PolarHBondContact O-N 3.02Å; Q390-Q392 VanDerWaalsContact C-N 3.31Å; Q390-Q392 PolarHBondContact O-N 3Å; Q390-V393 PolarHBondContact O-N 3.14Å; Q390-V394 WeakPolarHBondContact O-CG2 3.27Å; Q390-V394 PolarHBondContact O-N 3.42Å
391K79.1Confident81.9Confident114 Ų114109.1 Ų109.150%0.49654%0.542SS..Hα-helixtrans-63.5-37.1176.1-153165.1-169.6169.70110.9I387 H388 I395 E728I387-K391 WeakPolarHBondContact O-CB 3.47Å; I387-K391 PolarHBondContact O-N 3.43Å; H388-K391 PolarHBondContact O-N 3.29Å; K391-I395 HydrophobicContact CG-CD1 4.43Å; K391-I395 WeakPolarHBondContact O-CB 3.37Å; K391-I395 WeakPolarHBondContact O-CD1 3.49Å; K391-I395 WeakPolarHBondContact O-CG1 3.4Å; K391-I395 PolarHBondContact O-N 3.11Å; K391-E728 IonicContact NZ-OE1 3.74Å; K391-E728 PolarHBondContact NZ-OE1 3.24Å
392Q78.2Confident82.4Confident115 Ų115106.7 Ų106.754%0.53753%0.528SS..Hα-helixtrans-66-43.8174.9-173.1175.10.700112.9H388 L389 Q390 I395 Q396H388-Q392 WeakPolarHBondContact O-CB 3.28Å; H388-Q392 PolarHBondContact O-N 3.11Å; L389-Q392 PolarHBondContact O-N 2.98Å; Q390-Q392 VanDerWaalsContact C-N 3.31Å; Q390-Q392 PolarHBondContact O-N 3Å; Q392-I395 PolarHBondContact O-N 3.37Å; Q392-Q396 WeakPolarHBondContact O-CB 3.32Å; Q392-Q396 PolarHBondContact O-N 2.86Å
393V85.8Confident82.6Confident99 Ų99107.6 Ų107.660%0.653%0.532SS*.Hα-helixtrans-63.1-43.3176.4170.80000111.3L389 Q390 Q396 Q397L389-V393 WeakPolarHBondContact O-CG2 3.48Å; L389-V393 PolarHBondContact O-N 3.39Å; Q390-V393 PolarHBondContact O-N 3.14Å; V393-Q396 PolarHBondContact O-N 3.21Å; V393-Q397 WeakPolarHBondContact O-CB 3.43Å; V393-Q397 PolarHBondContact O-N 3.01Å
394V88.7Confident83Confident85 Ų85108.7 Ų108.752%0.51554%0.537SS..Hα-helixtrans-62.9-43.1176.7172.60000111.5Q390 Q396 Q397 Q398Q390-V394 WeakPolarHBondContact O-CG2 3.27Å; Q390-V394 PolarHBondContact O-N 3.42Å; V394-Q396 VanDerWaalsContact C-N 3.35Å; V394-Q396 PolarHBondContact O-N 2.78Å; V394-Q397 PolarHBondContact O-N 2.93Å; V394-Q398 PolarHBondContact O-N 2.79Å
395I88Confident83.4Confident99 Ų99103.6 Ų103.651%0.50851%0.514SS..Hα-helixtrans-61.7-42.9175-70.2164.6000111K391 Q392 Q397 Q398 I399K391-I395 HydrophobicContact CG-CD1 4.43Å; K391-I395 WeakPolarHBondContact O-CB 3.37Å; K391-I395 WeakPolarHBondContact O-CD1 3.49Å; K391-I395 WeakPolarHBondContact O-CG1 3.4Å; K391-I395 PolarHBondContact O-N 3.11Å; Q392-I395 PolarHBondContact O-N 3.37Å; I395-Q397 VanDerWaalsContact C-N 3.33Å; I395-Q397 PolarHBondContact O-N 2.82Å; I395-Q398 PolarHBondContact O-N 2.82Å; I395-I399 HydrophobicContact CG2-CD1 3.89Å; I395-I399 VanDerWaalsContact O-CG1 3.31Å; I395-I399 WeakPolarHBondContact O-CG1 3.43Å; I395-I399 PolarHBondContact O-N 2.97Å; I395-I399 VanDerWaalsContact O-N 3.1Å
396Q85.6Confident83.7Confident123 Ų123101.4 Ų101.458%0.57550%0.503SS*.Hα-helixtrans-62-41.5177.3-159.881.490.700111.7Q392 V393 V394 I399 A400Q392-Q396 WeakPolarHBondContact O-CB 3.32Å; Q392-Q396 PolarHBondContact O-N 2.86Å; V393-Q396 PolarHBondContact O-N 3.21Å; V394-Q396 VanDerWaalsContact C-N 3.35Å; V394-Q396 PolarHBondContact O-N 2.78Å; Q396-I399 PolarHBondContact O-N 2.99Å; Q396-A400 PolarHBondContact O-N 3.4Å; Q396-A400 VanDerWaalsContact O-N 3.13Å
397Q87.6Confident83.9Confident118 Ų118101.2 Ų101.255%0.55150%0.501SS*.Hα-helixtrans-64.1-43.6176.8-169.570.483.900111.9V393 V394 I395 I399 A400 I401V393-Q397 WeakPolarHBondContact O-CB 3.43Å; V393-Q397 PolarHBondContact O-N 3.01Å; V394-Q397 PolarHBondContact O-N 2.93Å; I395-Q397 VanDerWaalsContact C-N 3.33Å; I395-Q397 PolarHBondContact O-N 2.82Å; Q397-I399 PolarHBondContact O-N 2.68Å; Q397-A400 PolarHBondContact O-N 3.35Å; Q397-I401 HydrophobicContact CG-CD1 4.19Å; Q397-I401 WeakPolarHBondContact O-CG1 3.47Å; Q397-I401 PolarHBondContact O-N 2.94Å; Q397-I401 VanDerWaalsContact O-N 3.07Å
398Q86.7Confident83.6Confident123 Ų123102 Ų10258%0.57550%0.503SS*.Hα-helixtrans-62.3-41.9178.6-16173.640.800112V394 I395 I401 H402V394-Q398 PolarHBondContact O-N 2.79Å; I395-Q398 PolarHBondContact O-N 2.82Å; Q398-I401 PolarHBondContact O-N 3.46Å; Q398-H402 PolarHBondContact O-N 3.48Å
399I87.3Confident83.8Confident97 Ų9799.5 Ų99.550%0.49749%0.491SS..Hα-helixtrans-64.4-41.7176.6-66.9164.7000110.8I395 Q396 Q397 H402 H403I395-I399 HydrophobicContact CG2-CD1 3.89Å; I395-I399 VanDerWaalsContact O-CG1 3.31Å; I395-I399 WeakPolarHBondContact O-CG1 3.43Å; I395-I399 PolarHBondContact O-N 2.97Å; I395-I399 VanDerWaalsContact O-N 3.1Å; Q396-I399 PolarHBondContact O-N 2.99Å; Q397-I399 PolarHBondContact O-N 2.68Å; I399-H402 PolarHBondContact O-N 3.49Å; I399-H403 WeakPolarHBondContact O-CB 3.24Å; I399-H403 PolarHBondContact O-N 2.98Å
400A85.2Confident83.5Confident55 Ų55102.1 Ų102.146%0.45549%0.493SS..Hα-helixtrans-63.6-40.9178.100000112.5Q396 Q397 Q404Q396-A400 PolarHBondContact O-N 3.4Å; Q396-A400 VanDerWaalsContact O-N 3.13Å; Q397-A400 PolarHBondContact O-N 3.35Å; A400-Q404 WeakPolarHBondContact O-CB 3.4Å; A400-Q404 PolarHBondContact O-N 3.12Å; A400-Q404 VanDerWaalsContact O-N 3.1Å
401I86.4Confident83.5Confident66 Ų66101 Ų10134%0.33849%0.488SS..Hα-helixtrans-65.9-49.5176.6-66.9164.2000110.6Q397 Q398 H403 Q404 Q405Q397-I401 HydrophobicContact CG-CD1 4.19Å; Q397-I401 WeakPolarHBondContact O-CG1 3.47Å; Q397-I401 PolarHBondContact O-N 2.94Å; Q397-I401 VanDerWaalsContact O-N 3.07Å; Q398-I401 PolarHBondContact O-N 3.46Å; I401-H403 VanDerWaalsContact C-N 3.33Å; I401-H403 PolarHBondContact O-N 3.28Å; I401-Q404 PolarHBondContact O-N 3.41Å; I401-Q405 PolarHBondContact O-N 2.98Å; I401-Q405 VanDerWaalsContact O-N 3.07Å
402H85.2Confident83.4Confident56 Ų5698.3 Ų98.326%0.25948%0.484SS..Hα-helixtrans-59.5-42.3-179.8176.5-107.5000112.3Q186 Q398 I399 Q405 Q406Q186-H402 PolarHBondContact N-NE2 2.93Å; Q186-H402 VanDerWaalsContact N-NE2 3.11Å; Q398-H402 PolarHBondContact O-N 3.48Å; I399-H402 PolarHBondContact O-N 3.49Å; H402-Q405 PolarHBondContact O-N 3.41Å; H402-Q406 PolarHBondContact O-N 3.19Å
403H83.4Confident83.6Confident125 Ų12598.5 Ų98.558%0.57949%0.485SS*.Hα-helixtrans-68.5-34.5177.7-169.6-157.5000113I399 I401 Q406 F407I399-H403 WeakPolarHBondContact O-CB 3.24Å; I399-H403 PolarHBondContact O-N 2.98Å; I401-H403 VanDerWaalsContact C-N 3.33Å; I401-H403 PolarHBondContact O-N 3.28Å; H403-Q406 PolarHBondContact O-N 2.68Å; H403-F407 PolarHBondContact O-N 3.27Å; H403-F407 VanDerWaalsContact O-N 3.14Å
404Q87.1Confident83.4Confident143 Ų14399.2 Ų99.267%0.66848%0.484SS*.Hα-helixtrans-64.4-43.3174.3-175.6177.899.100111.7A400 I401 F407 Q408A400-Q404 WeakPolarHBondContact O-CB 3.4Å; A400-Q404 PolarHBondContact O-N 3.12Å; A400-Q404 VanDerWaalsContact O-N 3.1Å; I401-Q404 PolarHBondContact O-N 3.41Å; Q404-F407 PolarHBondContact O-N 3.25Å; Q404-Q408 PolarHBondContact O-N 2.62Å
405Q85.5Confident82.9Confident30 Ų30100.9 Ų100.914%0.1449%0.49CS..Hα-helixtrans-64-42.3174.7-65-158.954.400111.3Q186 Q187 E188 I401 H402 F407 Q408 H409Q186-Q405 HydrophobicContact CB-CB 4.22Å; Q187-Q405 HydrophobicContact CB-CB 4.42Å; Q187-Q405 PolarHBondContact O-OE1 3Å; Q187-Q405 PolarHBondContact OE1-O 3Å; E188-Q405 PolarHBondContact OE2-NE2 3.39Å; I401-Q405 PolarHBondContact O-N 2.98Å; I401-Q405 VanDerWaalsContact O-N 3.07Å; H402-Q405 PolarHBondContact O-N 3.41Å; Q405-F407 PolarHBondContact O-N 3.38Å; Q405-Q408 PolarHBondContact O-N 2.94Å; Q405-Q408 VanDerWaalsContact O-N 3.08Å; Q405-H409 PolarHBondContact O-N 2.79Å
406Q81.1Confident82.4Confident73 Ų73102.3 Ų102.334%0.34149%0.494SS..Hα-helixtrans-56.3-34.8175-176.4159.125.500113.7Q186 H402 H403 R410Q186-Q406 HydrophobicContact CG-CB 4.34Å; Q186-Q406 VanDerWaalsContact OE1-CB 3.28Å; H402-Q406 PolarHBondContact O-N 3.19Å; H403-Q406 PolarHBondContact O-N 2.68Å; Q406-R410 WeakPolarHBondContact O-CB 3.32Å; Q406-R410 PolarHBondContact O-N 2.88Å
407F81.8Confident82Confident139 Ų139100.6 Ų100.661%0.6149%0.492SS*.Hα-helixtrans-69.8-46.7173.8-162.7-88.5000112.3H403 Q404 Q405 H409 R410 Q411H403-F407 PolarHBondContact O-N 3.27Å; H403-F407 VanDerWaalsContact O-N 3.14Å; Q404-F407 PolarHBondContact O-N 3.25Å; Q405-F407 PolarHBondContact O-N 3.38Å; F407-H409 PolarHBondContact O-N 3.47Å; F407-R410 PolarHBondContact O-N 2.96Å; F407-Q411 PolarHBondContact O-N 2.74Å
408Q73.9Confident81.8Confident110 Ų11097.6 Ų97.651%0.51449%0.488SS..Hα-helixtrans-59-46.7177.2-73.6-72.2-4200112.2Q404 Q405 R410 Q411 S412Q404-Q408 PolarHBondContact O-N 2.62Å; Q405-Q408 PolarHBondContact O-N 2.94Å; Q405-Q408 VanDerWaalsContact O-N 3.08Å; Q408-R410 PolarHBondContact O-N 2.87Å; Q408-Q411 PolarHBondContact O-N 2.84Å; Q408-S412 PolarHBondContact O-N 3.21Å
409H78.5Confident81.4Confident77 Ų7795.4 Ų95.436%0.35648%0.483SS..Hα-helixtrans-60.5-45.4178.5-163.181.5000112.1Q186 Q405 F407 Q411 S412 Q413Q186-H409 HydrophobicContact CG-CB 3.9Å; Q186-H409 PolarHBondContact NE2-CD2 2.91Å; Q405-H409 PolarHBondContact O-N 2.79Å; F407-H409 PolarHBondContact O-N 3.47Å; H409-Q411 PolarHBondContact O-N 3.19Å; H409-S412 PolarHBondContact O-N 3.39Å; H409-Q413 WeakPolarHBondContact O-CB 3.35Å; H409-Q413 PolarHBondContact O-N 2.96Å
410R78.1Confident80.9Confident160 Ų16097.8 Ų97.860%0.60449%0.491SS*.Hα-helixtrans-62.2-41.9178.2-178.1179.5-71.9-173.3-2.1111.8Q406 F407 Q408 Q413 L414Q406-R410 WeakPolarHBondContact O-CB 3.32Å; Q406-R410 PolarHBondContact O-N 2.88Å; F407-R410 PolarHBondContact O-N 2.96Å; Q408-R410 PolarHBondContact O-N 2.87Å; R410-Q413 PolarHBondContact O-N 2.94Å; R410-L414 HydrophobicContact CG-CD1 4.22Å; R410-L414 WeakPolarHBondContact O-CG 3.43Å; R410-L414 PolarHBondContact O-N 3.37Å
411Q81Confident80.4Confident113 Ų113100.9 Ų100.953%0.52850%0.5SS..Hα-helixtrans-65.4-42.1178.6-166.3175.619.100111.6F407 Q408 H409 L414 L415F407-Q411 PolarHBondContact O-N 2.74Å; Q408-Q411 PolarHBondContact O-N 2.84Å; H409-Q411 PolarHBondContact O-N 3.19Å; Q411-L414 PolarHBondContact O-N 3.06Å; Q411-L415 PolarHBondContact O-N 3.41Å; Q411-L415 VanDerWaalsContact O-N 3.13Å
412S76.5Confident80Confident58 Ų58103.5 Ų103.541%0.40651%0.511SS..Hα-helixtrans-63.5-43.2174.5-175.90000112.3Q408 H409 L414 L415 H416Q408-S412 PolarHBondContact O-N 3.21Å; H409-S412 PolarHBondContact O-N 3.39Å; S412-L414 PolarHBondContact O-N 3.44Å; S412-L415 PolarHBondContact O-N 2.89Å; S412-H416 PolarHBondContact O-N 3.27Å; S412-H416 PolarHBondContact O-ND1 3.34Å; S412-H416 PolarHBondContact OG-CE1 3.41Å; S412-H416 PolarHBondContact OG-ND1 2.99Å
413Q82.6Confident79.5Confident119 Ų119106.1 Ų106.156%0.55653%0.526SS*.Hα-helixtrans-63.7-40179.1-169.1174.334.700112.3H409 R410 T417H409-Q413 WeakPolarHBondContact O-CB 3.35Å; H409-Q413 PolarHBondContact O-N 2.96Å; R410-Q413 PolarHBondContact O-N 2.94Å; Q413-T417 WeakPolarHBondContact O-CB 3.42Å; Q413-T417 PolarHBondContact O-N 3.33Å; Q413-T417 PolarHBondContact O-OG1 3.39Å
414L81.1Confident78.9Confident114 Ų114102.5 Ų102.560%0.59752%0.518SS*.Hα-helixtrans-63.1-41.6174.1-74.5167.5000112R410 Q411 S412 T417 A418R410-L414 HydrophobicContact CG-CD1 4.22Å; R410-L414 WeakPolarHBondContact O-CG 3.43Å; R410-L414 PolarHBondContact O-N 3.37Å; Q411-L414 PolarHBondContact O-N 3.06Å; S412-L414 PolarHBondContact O-N 3.44Å; L414-T417 PolarHBondContact O-N 2.91Å; L414-A418 PolarHBondContact O-N 3.5Å
415L77.8Confident78.1Confident121 Ų121101.8 Ų101.863%0.63451%0.514SS*.Hα-helixtrans-64.8-45.5178.7-165.469.5000111.8Q411 S412 T417 A418 T419Q411-L415 PolarHBondContact O-N 3.41Å; Q411-L415 VanDerWaalsContact O-N 3.13Å; S412-L415 PolarHBondContact O-N 2.89Å; L415-T417 VanDerWaalsContact C-N 3.32Å; L415-T417 PolarHBondContact O-N 3.29Å; L415-A418 PolarHBondContact O-N 3.24Å; L415-T419 PolarHBondContact O-N 3.02Å; L415-T419 PolarHBondContact O-OG1 3.39Å; L415-T419 VanDerWaalsContact O-OG1 3.05Å
416H77.9Confident77.3Confident128 Ų128106.6 Ų106.659%0.59354%0.537SS*.Hα-helixtrans-60.9-39.9174.6-71.997.5000112.5S412 T419 H420S412-H416 PolarHBondContact O-N 3.27Å; S412-H416 PolarHBondContact O-ND1 3.34Å; S412-H416 PolarHBondContact OG-CE1 3.41Å; S412-H416 PolarHBondContact OG-ND1 2.99Å; H416-T419 PolarHBondContact O-N 3.46Å; H416-H420 WeakPolarHBondContact O-CB 3.4Å; H416-H420 PolarHBondContact O-N 3.46Å
417T78.6Confident76.5Confident88 Ų88110.4 Ų110.454%0.5455%0.554SS.*Hα-helixtrans-63.6-43.8177-55.10000111.2Q413 L414 L415 H420 L421Q413-T417 WeakPolarHBondContact O-CB 3.42Å; Q413-T417 PolarHBondContact O-N 3.33Å; Q413-T417 PolarHBondContact O-OG1 3.39Å; L414-T417 PolarHBondContact O-N 2.91Å; L415-T417 VanDerWaalsContact C-N 3.32Å; L415-T417 PolarHBondContact O-N 3.29Å; T417-H420 PolarHBondContact O-N 3.42Å; T417-L421 WeakPolarHBondContact O-CB 3.49Å; T417-L421 PolarHBondContact O-N 2.8Å
418A81.4Confident75.4Confident55 Ų55111.8 Ų111.846%0.45556%0.563SS.*Hα-helixtrans-62.6-45.317600000112L414 L415 H420 L421 Q422L414-A418 PolarHBondContact O-N 3.5Å; L415-A418 PolarHBondContact O-N 3.24Å; A418-H420 PolarHBondContact O-N 3.08Å; A418-L421 PolarHBondContact O-N 3.45Å; A418-Q422 PolarHBondContact O-N 2.77Å
419T78.9Confident74.6Confident77 Ų77114.8 Ų114.847%0.47258%0.577SS.*Hα-helixtrans-61.5-43.5177-55.30000112L415 H416 L421 Q422 L423L415-T419 PolarHBondContact O-N 3.02Å; L415-T419 PolarHBondContact O-OG1 3.39Å; L415-T419 VanDerWaalsContact O-OG1 3.05Å; H416-T419 PolarHBondContact O-N 3.46Å; T419-L421 VanDerWaalsContact C-N 3.34Å; T419-L421 PolarHBondContact O-N 2.97Å; T419-Q422 WeakPolarHBondContact O-CB 3.11Å; T419-Q422 PolarHBondContact O-N 3.07Å; T419-L423 HydrophobicContact CG2-CD1 4.13Å; T419-L423 WeakPolarHBondContact O-CD1 3.48Å; T419-L423 PolarHBondContact O-N 2.85Å; T419-L423 VanDerWaalsContact O-N 3.08Å
420H76.5Confident73.6Confident146 Ų146118 Ų11868%0.67659%0.592SS**Hα-helixtrans-66.7-35.6178.8-164.3-69.6000112.3H416 T417 A418 A424H416-H420 WeakPolarHBondContact O-CB 3.4Å; H416-H420 PolarHBondContact O-N 3.46Å; T417-H420 PolarHBondContact O-N 3.42Å; A418-H420 PolarHBondContact O-N 3.08Å; H420-A424 WeakPolarHBondContact O-CB 3.42Å; H420-A424 PolarHBondContact O-N 3.31Å
421L75.8Confident72.6Confident120 Ų120118.8 Ų118.863%0.62860%0.603SS**Hα-helixtrans-67.3-38174.3-172.261.5000111.7T417 A418 T419 A424 Q425T417-L421 WeakPolarHBondContact O-CB 3.49Å; T417-L421 PolarHBondContact O-N 2.8Å; A418-L421 PolarHBondContact O-N 3.45Å; T419-L421 VanDerWaalsContact C-N 3.34Å; T419-L421 PolarHBondContact O-N 2.97Å; L421-A424 PolarHBondContact O-N 3.28Å; L421-Q425 PolarHBondContact O-N 3.24Å
422Q77.9Confident70.5Confident122 Ų122118 Ų11857%0.5762%0.615SS**Hα-helixtrans-63.9-42.6176-162.66853.300112.2A418 T419 Q425 Q426A418-Q422 PolarHBondContact O-N 2.77Å; T419-Q422 WeakPolarHBondContact O-CB 3.11Å; T419-Q422 PolarHBondContact O-N 3.07Å; Q422-Q425 PolarHBondContact O-N 2.96Å; Q422-Q426 PolarHBondContact O-N 2.71Å; Q422-Q426 VanDerWaalsContact O-N 3.1Å
423L74.4Confident69.3Low110 Ų110120.9 Ų120.958%0.57663%0.633SS**Hα-helixtrans-66.1-41.8175.1-92.975000112T419 Q425 Q426 Q427T419-L423 HydrophobicContact CG2-CD1 4.13Å; T419-L423 WeakPolarHBondContact O-CD1 3.48Å; T419-L423 PolarHBondContact O-N 2.85Å; T419-L423 VanDerWaalsContact O-N 3.08Å; L423-Q425 VanDerWaalsContact C-N 3.31Å; L423-Q425 PolarHBondContact O-N 3.35Å; L423-Q426 PolarHBondContact O-N 3.09Å; L423-Q427 PolarHBondContact O-N 3.04Å
424A71.1Confident67.2Low49 Ų49120.6 Ų120.641%0.40564%0.644SS.*Hα-helixtrans-60.3-41.6177.200000111.9H420 L421 Q427 Q428H420-A424 WeakPolarHBondContact O-CB 3.42Å; H420-A424 PolarHBondContact O-N 3.31Å; L421-A424 PolarHBondContact O-N 3.28Å; A424-Q427 PolarHBondContact O-N 3.03Å; A424-Q428 PolarHBondContact O-N 3.15Å
425Q70.6Confident65Low128 Ų128123.3 Ų123.360%0.59866%0.658SS**Hα-helixtrans-66.3-40.3176.7-169.9170.49300112.4L421 Q422 L423 Q427 Q428L421-Q425 PolarHBondContact O-N 3.24Å; Q422-Q425 PolarHBondContact O-N 2.96Å; L423-Q425 VanDerWaalsContact C-N 3.31Å; L423-Q425 PolarHBondContact O-N 3.35Å; Q425-Q427 VanDerWaalsContact C-N 3.34Å; Q425-Q427 PolarHBondContact O-N 3Å; Q425-Q428 PolarHBondContact O-N 3.01Å
426Q67.9Low63.1Low131 Ų131124.7 Ų124.761%0.61267%0.672SS**Hα-helixtrans-66.1-33.8176.4-173.9-179.290.500112.9Q422 L423 Q430Q422-Q426 PolarHBondContact O-N 2.71Å; Q422-Q426 VanDerWaalsContact O-N 3.1Å; L423-Q426 PolarHBondContact O-N 3.09Å; Q426-Q430 PolarHBondContact O-NE2 2.99Å
427Q64.2Low61.2Low153 Ų153127 Ų12772%0.71568%0.683SS**Hα-helixtrans-73.3-33.8-179.8-162.5170.4107.600112.3L423 A424 Q425 Q429 Q430L423-Q427 PolarHBondContact O-N 3.04Å; A424-Q427 PolarHBondContact O-N 3.03Å; Q425-Q427 VanDerWaalsContact C-N 3.34Å; Q425-Q427 PolarHBondContact O-N 3Å; Q427-Q429 VanDerWaalsContact C-N 3.28Å; Q427-Q429 PolarHBondContact O-N 2.95Å; Q427-Q430 PolarHBondContact O-N 3.39Å
428Q59.5Low59.2Low169 Ų169131.3 Ų131.379%0.7970%0.697SS**Hα-helixtrans-68.5-24.5177.6-173.6162.172.100113.3A424 Q425 Q430A424-Q428 PolarHBondContact O-N 3.15Å; Q425-Q428 PolarHBondContact O-N 3.01Å; Q428-Q430 VanDerWaalsContact C-N 3.27Å; Q428-Q430 PolarHBondContact O-N 3.17Å
429Q57.3Low56.9Low172 Ų172136.5 Ų136.580%0.80471%0.712SS**THydrogen-bonded Turntrans-81.3-0.1-177.8-161.2159.959.100114.2Q427Q427-Q429 VanDerWaalsContact C-N 3.28Å; Q427-Q429 PolarHBondContact O-N 2.95Å
430Q57.1Low54.8Low145 Ų145142 Ų14268%0.67873%0.732SS**THydrogen-bonded Turntrans-108.67.8-176.8-73.6169.579.900114.4Q426 Q427 Q428Q426-Q430 PolarHBondContact O-NE2 2.99Å; Q427-Q430 PolarHBondContact O-N 3.39Å; Q428-Q430 VanDerWaalsContact C-N 3.27Å; Q428-Q430 PolarHBondContact O-N 3.17Å
431Q57.1Low52.7Low177 Ų177144.6 Ų144.683%0.82774%0.744SS**  trans-128.872.4179.5-71.2-168.3-14.300113.5
432A36.9Very low50.6Low96 Ų96142.5 Ų142.579%0.79375%0.752SS**  trans-157.8123.1161.300000112.3
433P50.5Low48.4Very low118 Ų118145.6 Ų145.677%0.76677%0.766SS**  trans-132.9132.8150.835.4-22.4000114.1
434S39.4Very low46.7Very low113 Ų113145.9 Ų145.979%0.7978%0.775SS**  trans44.7107.3146.461.50000120.9
435L34Very low45.5Very low172 Ų172148.8 Ų148.890%0.90179%0.79SS**  trans-162.582.7146.1-122.4171.3000114.5
436T37.7Very low43.6Very low149 Ų149150.8 Ų150.891%0.91480%0.799SS**  trans-157.193.916026.20000111.1
437Q38.9Very low42Very low177 Ų177151 Ų15183%0.82780%0.8SS**  trans-150.899163.1-174.4-160.2106.500109.8
438Q35.6Very low40.5Very low179 Ų179151.9 Ų151.984%0.83680%0.804SS**  trans-179.8165.3141.1-106179.729.800112
439Q34.5Very low39Very low164 Ų164147.6 Ų147.677%0.76680%0.797SS**  trans73.374.2156.1-158.1173100.800118.7
440Q34.1Very low37.6Very low191 Ų191144.4 Ų144.489%0.89379%0.794SS**  -158.8147102.7-108.315488.500112.7
441Q33Very low36.2Very low201 Ų201142.7 Ų142.794%0.93980%0.798SS**  trans-145.9122.6-177.8-174178.413.500107.9
442G31Very low35Very low76 Ų76143.2 Ų143.278%0.78480%0.8SS**  trans-177.5114.5-175.900000111.4
443Q30.7Very low34.8Very low187 Ų187145.6 Ų145.687%0.87480%0.8SS**  trans-140.8170.4-177.2-97.3-170.5-23.800107.2
444P40.2Very low34Very low117 Ų117148.6 Ų148.676%0.7680%0.804SS**  cis-137.6-14627.649.6-29000112.6
445P45.1Very low33.9Very low110 Ų110151.5 Ų151.571%0.71481%0.805SS**  -138.2167.4-123.837.3-14.1000118.6
446Q31.1Very low33.8Very low169 Ų169152 Ų15279%0.7980%0.802SS**  trans-164.7128.4135.9-117.7177.9-53.500116.4
447Q33.7Very low33.4Very low136 Ų136149.1 Ų149.164%0.63679%0.794SS**  trans39.6121.5142.6-71.5170.8-44.900124.5
448Q32.6Very low33Very low171 Ų171149.5 Ų149.580%0.79980%0.796SS**  trans67.9141.6130.2-68.6169.8-99.400120.4
449A28.3Very low33.1Very low79 Ų79147.2 Ų147.265%0.65380%0.795SS**  cis-162.5167.2-8.800000113.3
450S28.1Very low33Very low105 Ų105147 Ų14773%0.73480%0.798SS**  trans60.5109.2151.154.20000122.8
451S28.3Very low32.9Very low109 Ų109144.2 Ų144.276%0.76279%0.793SS**  79.7111.9121.5-55.10000123
452Q32.1Very low33Very low188 Ų188140.8 Ų140.888%0.87979%0.786SS**  trans58.1148.3142.7-67.2-175.2-11.100119.4
453N31.3Very low32.9Very low146 Ų146145.4 Ų145.478%0.78179%0.787SS**  cis-143.2158.53.3-160.7-33.2000108.9
454Q34.5Very low33.8Very low182 Ų182142 Ų14285%0.8578%0.781SS**  trans-139.4133.1-178.9-165.8-178.6109.100111.5
455Q37.9Very low33.2Very low174 Ų174143.4 Ų143.481%0.81378%0.779SS**  trans-101.8124.8172.2-66.4-178.6-5.200110.3
456Q31.6Very low32.7Very low181 Ų181146.1 Ų146.185%0.84679%0.787SS**  166.1138.5119.5-90.2-1779.600113.8
457A30.1Very low32.7Very low90 Ų90146 Ų14674%0.74479%0.787SS**  trans71.7149.3144.900000123.1
458Q30.2Very low32.6Very low184 Ų184144.4 Ų144.486%0.8679%0.79SS**  trans79.496.4158.9-50.6-152.879.100120.8
459T36.3Very low32.2Very low132 Ų132144.1 Ų144.181%0.8179%0.789SS**  20.2125.3126.9-46.20000119.8
460L32.1Very low33.3Very low160 Ų160145.6 Ų145.684%0.83879%0.792SS**  trans-139.9156.1155.7-148.289.4000111.7V462L460-V462 HydrophobicContact CD2-CG2 4.36Å
461V34Very low33.3Very low131 Ų131148.3 Ų148.379%0.79479%0.793SS**  trans-112.2134.3179.2-179.90000109.6
462V33.4Very low34.2Very low129 Ų129148.4 Ų148.478%0.78279%0.791SS**  trans-142.9136.8171.9-178.30000111.5L460L460-V462 HydrophobicContact CD2-CG2 4.36Å
463Q29.6Very low34Very low173 Ų173145.1 Ų145.181%0.80878%0.783SS**  trans-163.4150.5168.9-180171.9100.300107.8
464P49.4Very low33.8Very low115 Ų115145.9 Ų145.975%0.74778%0.782SS**  cis-111.6-162.9-22.339.3-25.7000111.2
465M28Very low33.5Very low147 Ų147142.8 Ų142.872%0.72477%0.771SS**  trans-142.5139.1162.7-157.4-76.2-73.300109.8
466L34.1Very low32.9Very low167 Ų167140.8 Ų140.887%0.87476%0.761SS**  trans-144.7143.1-179.7-124.4165.4000109.5
467Q32Very low32.8Very low168 Ų168139.7 Ų139.779%0.78576%0.757SS**  trans-111.5170.8-161.2-153.4161.36300113
468S31.8Very low32.5Very low101 Ų101142.1 Ų142.171%0.70676%0.757SS**  trans-137.8153.2-143.358.40000118.9
469Q23.7Very low32.1Very low166 Ų166138 Ų13878%0.77675%0.749SS**  trans71.3165.6155.6-72.8-87.15900117.7
470P50.1Low32.7Very low110 Ų110137 Ų13771%0.71474%0.744SS**  cis-126-163.37.948.4-33.1000113.7
471Q29.1Very low32.2Very low161 Ų161134.4 Ų134.475%0.75274%0.738SS**  cis-142.7-69.41.5-163.6-179.8-5.700117.6
472P47.5Very low31.8Very low111 Ų111136.4 Ų136.472%0.72174%0.739SS**  trans-127.4161.2-146.832.2-11.3000117.3
473V27.6Very low32.3Very low120 Ų120135.4 Ų135.473%0.72774%0.735SS**  cis154134.2-18.6145.30000106.9
474Q26.4Very low32.1Very low161 Ų161130.7 Ų130.775%0.75273%0.726SS**  trans164.1125.9151.4-83.1-82.1-40.700106.1
475L27.6Very low31Very low118 Ų118130.9 Ų130.962%0.61873%0.725SS**  73.2138.462.5-68.9161.2000111.5
476Q27.3Very low31.1Very low131 Ų131133.2 Ų133.261%0.61273%0.731SS**  cis-167.516414.4177.460.460.400111
477Q27.5Very low30.8Very low159 Ų159130.9 Ų130.974%0.74373%0.729SS**  trans64.6162.7156.7-90.3149.49.600119
478D24.3Very low31.3Very low140 Ų140128.4 Ų128.475%0.74973%0.727SS**  cis-156.3-170.5-30.6-141.6-85.1000111.2
479S23.1Very low31.3Very low99 Ų99130.5 Ų130.569%0.69274%0.735SS**  trans-105.9-175.2170.5-86.30000111.4
480P48.5Very low32.4Very low109 Ų109127.7 Ų127.771%0.70873%0.731SS**  cis-131.7-170.7-3733.9-15.2000113.4
481C22.2Very low31.5Very low107 Ų107129.7 Ų129.772%0.72374%0.735SS**  trans75.4110.3148.5-76.60000122.9
482Q25.1Very low31.4Very low172 Ų172130.6 Ų130.680%0.80474%0.739SS**  67.5167127.6-58.4-76.421.700119
483P43.6Very low30.8Very low108 Ų108129 Ų12970%0.70173%0.73SS**  cis-133.4-173.8-45.338.2-22.3000113.8
484A25.5Very low31Very low74 Ų74132.5 Ų132.561%0.61274%0.736SS**  trans82.3105.213900000123.8
485T26.1Very low31.2Very low119 Ų119129.8 Ų129.873%0.7374%0.735SS**  88.4150.3123.267.30000123.8
486K29.2Very low31.4Very low197 Ų197131.7 Ų131.786%0.85775%0.745SS**  trans96.4137.9153-48.1179.4-163169.80120.1
487S29Very low31.6Very low117 Ų117131.6 Ų131.682%0.81875%0.753SS**  trans-84.7178.4170.6-136.30000110.7
488P42Very low31.7Very low116 Ų116130 Ų13075%0.75375%0.754SS**  cis-137.7-179.614.540.5-19.6000117.3
489V32.3Very low32.8Very low145 Ų145128.5 Ų128.588%0.87975%0.752SS**  trans-146.4140.9-176.6-174.50000113.7
490P46.7Very low33.1Very low107 Ų107131.6 Ų131.670%0.69576%0.759SS**  trans-139.4131.6-175.139.4-19.9000120.6
491I30.7Very low32.2Very low153 Ų153135.6 Ų135.679%0.78577%0.765SS**  72.7146.2127.5-68.7173.8000123.8
492Q27.3Very low33.7Very low179 Ų179135.9 Ų135.984%0.83677%0.766SS**  trans80.9160.2164.7-83.4178.436.600121.6
493S34Very low35Very low78 Ų78133 Ų13355%0.54576%0.762SS.*  -174.5142.7-55.261.60000116.8
494K33.2Very low34.4Very low193 Ų193135.9 Ų135.984%0.83977%0.766SS**  trans72.1139.3144.9-66.6161.2-177.8176.50124.9
495S29.1Very low34.7Very low104 Ų104139.6 Ų139.673%0.72778%0.775SS**  trans95.1111.7132.8-79.20000127.1
496L31.9Very low34.6Very low159 Ų159137.4 Ų137.483%0.83278%0.776SS**  72.2143.8114.6-89.4164000127.3
497V32Very low35.6Very low129 Ų129134.1 Ų134.178%0.78278%0.775SS**  trans89.6146153.6174.10000122.1
498T29.1Very low35.6Very low126 Ų126133 Ų13377%0.77377%0.773SS**  trans-154.9-165.1179.760.60000109
499P48.2Very low34.9Very low107 Ų107137.7 Ų137.770%0.69578%0.781SS**  cis-139.9-135.9-3.237.3-10.8000114.4
500I30.1Very low34.9Very low165 Ų165139.7 Ų139.785%0.84678%0.783SS**  trans84.6142.6169.2-60.4165.8000117.9
501K28.9Very low33.9Very low193 Ų193140.4 Ų140.484%0.83979%0.791SS**  trans-160.2150.4-178.9-176174.6177.1179.70114.9
502P53Low33.8Very low113 Ų113137.7 Ų137.773%0.73479%0.791SS**  trans-124.2-142.8-177.739.6-18.1000115.5
503P53.7Low33.8Very low112 Ų112133.2 Ų133.273%0.72779%0.785SS**  -138.8156.2-108.243.5-23.4000121.5
504Q31.3Very low33.5Very low168 Ų168138 Ų13879%0.78580%0.798SS**  trans52.7144.1140.1-81-72.540.500128.7
505L30.3Very low33.2Very low151 Ų151136.8 Ų136.879%0.79180%0.796SS**  trans84.899145.9-75.8164.8000126.3
506G25.6Very low33.8Very low73 Ų73136.9 Ų136.975%0.75379%0.794SS**  trans62.4176.8133.200000123.5
507P48.8Very low34.2Very low128 Ų128134.7 Ų134.783%0.83179%0.79SS**  cis-141.6175.2-23.543.3-25.8000117.4
508A28.8Very low35.1Very low95 Ų95133.5 Ų133.579%0.78579%0.785SS**  trans61.3109.7145.200000126.3
509K28.4Very low35.1Very low213 Ų213135.2 Ų135.293%0.92678%0.783SS**  54119.9119.6-162.7178.4-175.6-179.70122.6
510M30.9Very low34.2Very low188 Ų188136.3 Ų136.393%0.92678%0.782SS**  trans-143.3175.4160.963172.866.600112.1
511S26.3Very low34.7Very low122 Ų122134.2 Ų134.285%0.85378%0.779SS**  trans-167.2178179.9-163.90000114.2
512A27.9Very low34.7Very low96 Ų96130.8 Ų130.879%0.79377%0.774SS**  trans69.6160.9176.200000117.4
513A28.7Very low33.7Very low85 Ų85133 Ų13370%0.70278%0.775SS**  cis-172.2163.8-34.800000110.2
514Q26.7Very low32.6Very low177 Ų177133.2 Ų133.283%0.82777%0.774SS**  trans71.5153.2171.5-65.2-177.386.800116.8
515Q27.8Very low32.7Very low168 Ų168129.6 Ų129.679%0.78576%0.763SS**  cis-144.9174.82.5-123.4-174.41600111.1
516P41.1Very low33Very low107 Ų107123.6 Ų123.670%0.69574%0.738SS**  trans-113.5-151.5-171.847-37.9000112.7
517P41.3Very low33.4Very low113 Ų113125 Ų12573%0.73473%0.732SS**  cis-126.7-137.8-21.343.8-24.6000110.4
518P49.6Very low32.6Very low104 Ų104124.8 Ų124.868%0.67571%0.714SS**  cis-131.1-175.7-33.540.6-24000115.4
519H29.3Very low32.8Very low162 Ų162127.4 Ų127.475%0.7571%0.71SS**  trans68.4139.1158.1-102.1-103.7000120.1
520I29.1Very low32.9Very low129 Ų129124.4 Ų124.466%0.66270%0.7SS**  cis90.7107.918.5-57.7177000116.9
521P40.7Very low32.9Very low122 Ų122118.2 Ų118.279%0.79268%0.684SS**  trans-105.5-161.114937.6-30.2000113.1
522V29.2Very low33.2Very low121 Ų121118.6 Ų118.673%0.73369%0.686SS**  trans-147.3149.6-153157.80000111.3
523Q31.8Very low33.2Very low159 Ų159117.3 Ų117.374%0.74368%0.682SS**  cis-167.2178.1-14.7-102.8175.311.500109.4
524V31.8Very low33.1Very low116 Ų116123 Ų12370%0.70369%0.694SS**  trans-107.3138156.5177.10000109.6
525V32.5Very low33.1Very low92 Ų92118.9 Ų118.956%0.55869%0.691SS**  trans-140.9115.8169.1179.40000111.6
526G37.3Very low33.2Very low26 Ų26120.3 Ų120.327%0.26870%0.698SS.*  trans-96.5-175.4157.700000111.9S118 V119 S120S118-G526 CarbonylContact C-O 3.59Å; S118-G526 VanDerWaalsContact CA-O 3.27Å; S118-G526 WeakPolarHBondContact CA-O 3.47Å; V119-G526 VanDerWaalsContact CA-O 3.25Å; V119-G526 WeakPolarHBondContact CA-O 3.3Å; V119-G526 CarbonylContact O-C 3.4Å; V119-G526 WeakPolarHBondContact O-CA 3.21Å; V119-G526 PolarHBondContact O-N 2.93Å; S120-G526 PolarHBondContact OG-N 3.2Å
527T33.3Very low32.5Very low102 Ų102120.1 Ų120.163%0.62671%0.705SS**  trans-140.7102.7-165.352.70000118.6Q117 S118Q117-T527 WeakPolarHBondContact O-CA 3.44Å; Q117-T527 WeakPolarHBondContact O-CB 3.26Å; Q117-T527 VanDerWaalsContact O-CG2 3.27Å; Q117-T527 WeakPolarHBondContact O-CG2 3.15Å; S118-T527 VanDerWaalsContact N-CA 3.34Å
528R31.6Very low31.9Very low123 Ų123123.6 Ų123.646%0.46472%0.717SS.*  trans60.7139.9157.3-99.8179.8157.9-88.15.2119Q117 S118 Q530Q117-R528 HydrophobicContact CB-CG 4.3Å; S118-R528 WeakPolarHBondContact O-CA 3.43Å; S118-R528 PolarHBondContact O-N 3.31Å; R528-Q530 VanDerWaalsContact CZ-OE1 3.29Å
529Q32.8Very low30.8Very low150 Ų150122.4 Ų122.470%0.70172%0.723SS**  cis93.1108.86.1-155.6-148.99300119.2
530Q31.3Very low30.7Very low151 Ų151123.1 Ų123.171%0.70673%0.732SS**  trans160.5148.5138.1-91.6-175.8-85.100109.2R528R528-Q530 VanDerWaalsContact CZ-OE1 3.29Å
531G30.7Very low30.6Very low57 Ų57121.2 Ų121.259%0.58874%0.735SS**  cis142.696.2-14.400000115
532S32.9Very low30Very low130 Ų130123.1 Ų123.191%0.90973%0.734SS**  trans45.5143.916055.90000120.9
533G26.8Very low30Very low69 Ų69124.7 Ų124.771%0.71174%0.736SS**  cis133.4140.64.800000111.7
534Q27.5Very low29.8Very low204 Ų204121.1 Ų121.195%0.95373%0.734SS**  trans-151.8165.2167-92.2-136.1-7.100111.7
535A27.1Very low29.6Very low92 Ų92120.5 Ų120.576%0.7674%0.741SS**  trans-124.7-178.1-17100000112.8
536Q29.6Very low29.4Very low197 Ų197120.9 Ų120.992%0.92175%0.754SS**  trans-72.3149-172.7-58153.7-87.400113.6
537A26.7Very low29Very low103 Ų103126.2 Ų126.285%0.85178%0.781SS**  trans-144.4155.6158.400000111.2
538L28.2Very low29.8Very low187 Ų187125.8 Ų125.898%0.97978%0.78SS**  trans-82.1153.1-169.3-63.3138.6000113.2
539G25.7Very low29.7Very low79 Ų79126.1 Ų126.181%0.81480%0.796SS**  trans-169.8134.9170.700000112.7
540L27Very low29.6Very low176 Ų176123.5 Ų123.592%0.92179%0.794SS**  trans-88.6163.2-169.7-72.1157.1000114.5
541A27.8Very low29.4Very low89 Ų89128.1 Ų128.174%0.73681%0.805SS**  trans71.4156.1151.700000117.9
542Q28.8Very low29.2Very low163 Ų163128.6 Ų128.676%0.76281%0.81SS**  cis-167.9156.8-21-116.4-177.90.400109.3
543I28.7Very low29.1Very low153 Ų153131 Ų13179%0.78581%0.809SS**  trans66.2150.8153.8-62.9161.7000116.7
544A27.1Very low30Very low84 Ų84133.3 Ų133.369%0.69481%0.811SS**  cis-168.2166-37.400000109.8
545A27.1Very low30.1Very low104 Ų104127.7 Ų127.786%0.8680%0.8SS**  trans65.7162.3165.900000116.9
546A29.3Very low30.1Very low100 Ų100129.9 Ų129.983%0.82680%0.804SS**  cis-137.4175.24.700000113.6
547V29.2Very low30.1Very low137 Ų137126.9 Ų126.983%0.8380%0.799SS**  trans-133.5176.3-174.689.80000106.7
548P50.5Low30.3Very low94 Ų94130 Ų13061%0.6180%0.796SS**  cis-137.1-172.8-14.933.4-11.2000115.4
549T28.9Very low31.3Very low130 Ų130126 Ų12680%0.79878%0.781SS**  trans68169.9148.228.60000120
550S29.8Very low31.4Very low95 Ų95128.7 Ų128.766%0.66478%0.781SS**  cis-165.2155.4-8.141.20000113.7
551R28Very low31.7Very low247 Ų247125 Ų12593%0.93277%0.77SS**  trans46117132.3-169.8-165.1-146.6168.85120.1
552G26.6Very low32Very low67 Ų67128.2 Ų128.269%0.69177%0.77SS**  trans169.5129156.900000118.4
553M31.2Very low32.2Very low181 Ų181124.1 Ų124.189%0.89276%0.764SS**  trans-107.6171.9146.6-66.5-79.710600106.1
554P45.3Very low32.4Very low117 Ų117125 Ų12576%0.7676%0.764SS**  cis-144.6176.515.344.5-25.4000118.2
555A29Very low32.5Very low87 Ų87128.7 Ų128.772%0.71977%0.771SS**  trans47.4144.7138.600000125.7
556V27.9Very low32.6Very low137 Ų137128.1 Ų128.183%0.8377%0.766SS**  trans73.9143.5153.6160.70000115.5
557V28.8Very low32.7Very low135 Ų135128.8 Ų128.882%0.81877%0.765SS**  cis-137.4174.625.5-152.20000113.7
558Q31.2Very low33.8Very low168 Ų168128.4 Ų128.479%0.78577%0.765SS**  trans-70.7-174.4160.3-119.9-167.675.100113.1
559P49.5Very low33Very low103 Ų103129 Ų12967%0.66977%0.771SS**  cis-151.7178.934.844.4-22.7000121
560V28.1Very low33.2Very low136 Ų136128.5 Ų128.582%0.82477%0.773SS**  trans71.2155.4157.7160.40000117.1
561S33Very low33.4Very low99 Ų99128.3 Ų128.369%0.69278%0.777SS**  cis-134.6-177.28.274.90000111.8
562Q33.5Very low34.3Very low155 Ų155122.7 Ų122.772%0.72477%0.773SS**  cis80138.99.6-169.7-176.2-55.500117.5
563A32.9Very low34.3Very low77 Ų77123.8 Ų123.864%0.63678%0.775SS**  cis-167.6-161.5-28.500000107.6
564H32.7Very low34.4Very low172 Ų172120.7 Ų120.780%0.79677%0.772SS**  cis-164.5165.716.1-81-66.1000111.4
565I29.7Very low33.6Very low162 Ų162120.6 Ų120.683%0.83177%0.774SS**  trans58.5133.4144.1-71.7164.9000120.8
566A30.1Very low33.7Very low92 Ų92125.4 Ų125.476%0.7678%0.781SS**  cis-160.9178.3-7.700000113.1
567S31.5Very low33.5Very low114 Ų114127.8 Ų127.880%0.79778%0.784SS**  trans-118.1176.5-173.7-450000113.4
568P51.2Low33.5Very low128 Ų128125.3 Ų125.383%0.83178%0.777SS**  -152.7-168.189.741.2-22.9000114.6
569S34.3Very low34.9Very low107 Ų107123.3 Ų123.375%0.74878%0.778SS**  -173.6125.8-57.2-173.70000111
570S32.4Very low35.2Very low119 Ų119123.1 Ų123.183%0.83278%0.777SS**  trans164.7154.5149.543.40000111.4
571A35.2Very low35.1Very low91 Ų91124.3 Ų124.375%0.75278%0.778SS**  cis177155.4-48.600000108.4
572P45.7Very low34.9Very low129 Ų129124.9 Ų124.984%0.83878%0.778SS**  cis-131174.3-28.139.4-24.3000113.3
573A27.1Very low34.8Very low90 Ų90123.9 Ų123.974%0.74478%0.783SS**  trans-151.2164.2164.500000110.9
574S32.8Very low34.6Very low117 Ų117123 Ų12382%0.81878%0.781SS**  trans72.2125.1165.9-52.20000119.2
575S29.1Very low34.5Very low115 Ų115121.5 Ų121.580%0.80478%0.783SS**  trans175.8154.2154.2-82.60000110.7
576Q29.9Very low34.5Very low187 Ų187120.1 Ų120.187%0.87478%0.778SS**  cis-161-162.2-33.7-143.7-175.7-16.400110
577E25.6Very low34.3Very low188 Ų188122.7 Ų122.788%0.87978%0.778SS**  trans-101.7-175.3-165.9-153.3165.76100113.2
578A28.9Very low34.1Very low83 Ų83120.5 Ų120.569%0.68677%0.767SS**  trans-132.5-174.8177.700000110
579P59.9Low33Very low125 Ų125123 Ų12381%0.81277%0.768SS**  cis-104.7-92.9-11.221.22.5000112.9
580P54.8Low32.6Very low99 Ų99122.7 Ų122.764%0.64376%0.761SS**  cis-122.2-168.7-5.443.5-27.8000114.9
581L27.3Very low32.3Very low161 Ų161125.9 Ų125.984%0.84376%0.763SS**  trans69.7149.9165.6-64.3164.6000117.2
582T27.8Very low32.1Very low111 Ų111124.2 Ų124.268%0.68175%0.754SS**  cis-163.9156.4-13.2179.50000110.8
583T31.7Very low31.6Very low135 Ų135125.3 Ų125.383%0.82876%0.758SS**  trans68.3148163.2-37.90000116.2
584G29.4Very low31.7Very low59 Ų59124.9 Ų124.961%0.60876%0.755SS**  cis167.3146.6-14.700000113.1
585V31.1Very low31.7Very low139 Ų139126.5 Ų126.584%0.84275%0.75SS**  trans55.6136.2159.1-137.40000122.2
586N28.9Very low31.9Very low133 Ų133128.4 Ų128.471%0.71175%0.748SS**  trans83.4106144-119.7-115.7000122.3
587L26.5Very low32.1Very low146 Ų146125.7 Ų125.776%0.76474%0.743SS**  70.3123.1111.1-164.463.9000122.5
588A26.9Very low32.3Very low69 Ų69124.7 Ų124.757%0.5774%0.736SS**  trans73.2146144.400000123.2
589Q27.9Very low32.3Very low181 Ų181124 Ų12485%0.84673%0.726SS**  trans65.5159.5149.5-74.2174.2-85.600119.3
590V26Very low30.9Very low99 Ų99124 Ų12460%0.672%0.724SS**  cis-163.6147.1-3879.10000108.5
591Q26.5Very low29.9Very low187 Ų187123.5 Ų123.587%0.87473%0.728SS**  trans58.2152.1167.8-71.2152.7-3.600116.9
592G30.4Very low30.3Very low55 Ų55121 Ų12157%0.56772%0.724SS**  cis154.7166.5-4.100000110.6
593T34.4Very low30.4Very low152 Ų152120.6 Ų120.693%0.93373%0.726SS**  trans63.2156.5175.269.40000115.8
594A30.8Very low31.7Very low82 Ų82119.9 Ų119.968%0.67872%0.724SS**  cis-160.5172.5-30.400000105.6
595H32.5Very low31.8Very low151 Ų151123.5 Ų123.570%0.69973%0.734SS**  cis-172.6152.944.8-142.2-98000109.3
596M32Very low32Very low155 Ų155123.4 Ų123.476%0.76473%0.733SS**  trans36.6147153.7-72.6177.6179.600122.6
597V34.1Very low32Very low129 Ų129121.6 Ų121.678%0.78274%0.736SS**  cis-116.6-135.314.9-140.10000110.4
598K30.4Very low32.1Very low167 Ų167123.7 Ų123.773%0.72674%0.743SS**  cis-140.5-140.7-1.4-170.627.9-152.5147.80111.7
599S28.6Very low32.3Very low69 Ų69129 Ų12948%0.48376%0.758SS.*  trans-177.4155.7-165.5-2.60000107.9
600T30.5Very low34Very low125 Ų125125.7 Ų125.777%0.76775%0.752SS**  cis-152.6142.1918.20000106.7
601A33.8Very low34.3Very low88 Ų88125.9 Ų125.973%0.72776%0.764SS**  66.514362.700000113.1
602S35.9Very low34.8Very low108 Ų108121.4 Ų121.476%0.75576%0.759SS**  cis-156.7152.18.313.80000109.2
603S30.6Very low34.7Very low103 Ų103128.8 Ų128.872%0.7278%0.775SS**  68.8164.271.3-137.10000113.6
604P58.3Low34.4Very low120 Ų120130.8 Ų130.878%0.77977%0.767SS**  cis-80.4-164.424.138.7-42.3000113.6
605V32.2Very low34.3Very low136 Ų136132.9 Ų132.982%0.82477%0.765SS**  cis-149166.810.8730000110.9
606V35Very low34Very low137 Ų137133.9 Ų133.983%0.8377%0.77SS**  trans-152.7127.3-176.255.50000114.7
607A29.7Very low34.1Very low94 Ų94131.7 Ų131.778%0.77777%0.769SS**  trans-169.3138.1157.200000110.1
608Q28.8Very low33.8Very low191 Ų191132 Ų13289%0.89377%0.771SS**  cis-154.6162.5-16-166.9161.5-4.500110.2
609M31Very low33.6Very low180 Ų180131.6 Ų131.689%0.88777%0.772SS**  trans-81169.4-159.9-83.1-72.7-172.700118.1
610P63.4Low33.6Very low112 Ų112135.3 Ų135.373%0.72779%0.786SS**  trans-118.4-169.3-168.246.1-36.7000114.5
611A31.7Very low33.9Very low103 Ų103135.5 Ų135.585%0.85179%0.789SS**  trans-171.6165.5142.200000112.2
612A36.7Very low33.6Very low92 Ų92134.2 Ų134.276%0.7678%0.784SS**  trans-143.2146.1173.300000111.5
613F27.8Very low33.2Very low210 Ų210139.4 Ų139.492%0.92179%0.793SS**  trans-152.5120.8167.6-117.4-79.8000115.7
614Y29.1Very low33Very low195 Ų195139.7 Ų139.777%0.76580%0.795SS**  trans8131.5148.2-127.3-134.6000124
615M27.6Very low31.7Very low126 Ų126142.8 Ų142.862%0.62180%0.799SS**  79.3126.8127.7-85.3-60.5152.600126
616Q26.9Very low31.5Very low172 Ų172142 Ų14280%0.80480%0.795SS**  86.8144124.6-159.5160.36.500121.2
617S35.1Very low31.2Very low108 Ų108144 Ų14476%0.75580%0.8SS**  trans-118.7145.4-173.346.30000113.3
618V26.3Very low31.2Very low136 Ų136143.7 Ų143.782%0.82480%0.797SS**  trans-144.8154171.1-176.70000110.7
619Q26.8Very low31.2Very low158 Ų158140.8 Ų140.874%0.73879%0.792SS**  trans-60.7149.9-174.9-92.873.6600118.8
620L29.2Very low31.3Very low148 Ų148141 Ų14178%0.77579%0.788SS**  21.7138.8118.9-80.1160.9000118.8
621P36.8Very low29.9Very low129 Ų129145.6 Ų145.684%0.83879%0.791SS**  -133.9171.96238.5-24.4000114.4
622G25.9Very low29.9Very low60 Ų60149 Ų14962%0.61979%0.787SS**  cis125.5113.7700000111.3
623K27.9Very low29.8Very low217 Ų217148 Ų14894%0.94378%0.779SS**  trans-158.5161.1174.6-103.8157.3-173.51750109.5
624S27.8Very low29.6Very low110 Ų110145.4 Ų145.477%0.76977%0.769SS**  trans-147.9140.9-156.441.40000115
625Q29.9Very low29.6Very low184 Ų184140.2 Ų140.286%0.8676%0.762SS**  trans-175.2122.6141.1-99163.351.200107.4
626T28.4Very low29.7Very low121 Ų121142.4 Ų142.474%0.74277%0.77SS**  7898.874-52.70000113.5
627L28.9Very low29.8Very low177 Ų177142 Ų14293%0.92777%0.768SS**  -176.1176.5123.7-97.1172.4000111.6
628A28.8Very low29.3Very low88 Ų88144.4 Ų144.473%0.72777%0.768SS**  trans-112.2-169.5-153.400000116
629V29.6Very low29.5Very low130 Ų130144.4 Ų144.479%0.78876%0.757SS**  trans103.9100.4158.6-168.20000119.3
630K32.2Very low29.4Very low184 Ų184143.8 Ų143.880%0.875%0.754SS**  trans-44.9131157161.2-164.4173.2-173.80118
631R34.3Very low29.3Very low210 Ų210144 Ų14479%0.79275%0.751SS**  trans174.5144.9142-88.5152-167.799.5-17.3106.6
632K32.8Very low28.9Very low173 Ų173142.5 Ų142.575%0.75274%0.743SS**  cis86.1126.532.1-160.9-153.1169.2-75.60114.6E634K632-E634 IonicContact NZ-OE2 3.01Å; K632-E634 PolarHBondContact NZ-OE2 2.89Å
633A34.6Very low29.9Very low72 Ų72144.8 Ų144.860%0.59575%0.748SS**  trans82.4152.4168.600000114.4
634E23.4Very low30.1Very low155 Ų155139.3 Ų139.372%0.72474%0.736SS**  cis-157.5-175.6-15.5-123.5137.970.500109.8K632K632-E634 IonicContact NZ-OE2 3.01Å; K632-E634 PolarHBondContact NZ-OE2 2.89Å
635S28.8Very low30.5Very low86 Ų86139.7 Ų139.760%0.60173%0.734SS**  trans21.4134.5161.5-72.10000125.3
636E28.9Very low30.8Very low172 Ų172138 Ų13880%0.80473%0.731SS**  55.2157.2118.1-57.2159.4123.800120.2
637E29.2Very low31.1Very low163 Ų163136.5 Ų136.576%0.76273%0.73SS**  cis-152.7-145.49.7-149.2-155.785.700112.7
638E25.6Very low31.1Very low160 Ų160134.3 Ų134.375%0.74872%0.724SS**  trans81132.4172.1-58.8-15687.400119.3
639K29.9Very low31.4Very low136 Ų136137.8 Ų137.859%0.59173%0.729SS**  cis106.4148.621.4-175177.5175.2-65.90111.8
640E25.5Very low32.5Very low145 Ų145137.4 Ų137.468%0.67873%0.73SS**  cis-101.3-125.99.2-155.987.574.200113.2
641E26.1Very low32.5Very low152 Ų152133 Ų13371%0.7173%0.727SS**  cis-159.2147.15.5-152.2-61.899.500110.2
642S29.4Very low32.4Very low97 Ų97134.4 Ų134.468%0.67873%0.733SS**  trans-177.6150.9158.261.20000114.8
643P46.4Very low32.1Very low109 Ų109131.3 Ų131.371%0.70873%0.733SS**  trans-112.8140.2153.635.1-26.5000112.1
644S32.3Very low32.1Very low101 Ų101133.5 Ų133.571%0.70674%0.744SS**  cis81.313829.9-139.70000113.2
645V35.3Very low33.6Very low118 Ų118131.5 Ų131.572%0.71574%0.744SS**  cis-157.8145.538-82.10000116.2
646N35.8Very low33.7Very low150 Ų150133.1 Ų133.180%0.80275%0.75SS**  49.3163.6129-60.8-44.2000125
647A34.5Very low33.9Very low88 Ų88130.7 Ų130.773%0.72775%0.748SS**  cis-129.7-140.78.400000113.5
648V30.7Very low33.6Very low131 Ų131129.3 Ų129.379%0.79475%0.745SS**  cis-152.7157.620.1-175.20000110.1
649L34.6Very low33.8Very low161 Ų161126.7 Ų126.784%0.84375%0.745SS**  trans-143.5170.2173.3-60.1173000111.1
650P51.4Low34.5Very low122 Ų122125.3 Ų125.379%0.79275%0.75SS**  -159.5139.183.238.7-16.2000121
651A33.1Very low34.7Very low91 Ų91127.8 Ų127.875%0.75276%0.758SS**  trans59.7159133.800000123.5
652R32.4Very low34.6Very low240 Ų240127.8 Ų127.891%0.90676%0.763SS**  cis-113.9-123.14.9-61.2176179.6-161.9-1113.1
653S27.4Very low34.6Very low108 Ų108131.9 Ų131.976%0.75577%0.774SS**  cis-159.1161.310.5-61.10000112.1
654S32.7Very low33.7Very low118 Ų118135.2 Ų135.283%0.82578%0.78SS**  trans-166.5-168.9176.9-33.60000110.6
655P56.8Low33.4Very low113 Ų113137.4 Ų137.473%0.73478%0.779SS**  cis-142.5-161.3-19.536.3-12.6000115.7
656V30.2Very low33.1Very low120 Ų120139.5 Ų139.573%0.72778%0.779SS**  trans107.4117.1132.3141.20000124.4
657T31.9Very low32.6Very low122 Ų122138.1 Ų138.175%0.74878%0.781SS**  trans58.6163.315063.40000121.9
658D24.7Very low32.1Very low133 Ų133137.1 Ų137.171%0.71178%0.779SS**  cis-149.5-174.511.4-160.1-121000114.8
659S28.2Very low32Very low106 Ų106139.9 Ų139.974%0.74179%0.788SS**  trans-162.3137.5170.8-74.30000112.5
660P45.7Very low31.7Very low106 Ų106135.7 Ų135.769%0.68878%0.784SS**  -157.8156.6117.937.1-18.1000119.8
661K28.2Very low30.5Very low198 Ų198136.2 Ų136.286%0.86178%0.78SS**  trans64.7112.6137.1-72.3173.2-179.6176.10124.1
662N25.2Very low30.4Very low152 Ų152139.9 Ų139.981%0.81378%0.779SS**  57.4122.3110.1-172.354.3000122.8
663M29.3Very low30.3Very low183 Ų183133.9 Ų133.990%0.90177%0.774SS**  trans-165.5-179.7136.759.9-176.3178.400113.9
664E26.8Very low30.3Very low178 Ų178135.4 Ų135.483%0.83277%0.774SS**  trans-85.2160.5-155.6-79.8162.936.700119.9
665E26.1Very low30.9Very low147 Ų147135.4 Ų135.469%0.68777%0.77SS**  trans28.9147.8133.4-139.3-161.190.600124.2
666K28.9Very low29.5Very low163 Ų163134.2 Ų134.271%0.70977%0.77SS**  113112.7128.8-146.9-179.7-15287.10120.6
667S25.1Very low29.5Very low121 Ų121132.6 Ų132.685%0.84677%0.769SS**  trans41.6138.1141.1-51.40000125.5
668G25.4Very low29.1Very low67 Ų67132.2 Ų132.269%0.69177%0.772SS**  trans156126.6158.800000110.5
669L28.9Very low29.3Very low188 Ų188130.7 Ų130.798%0.98478%0.777SS**  61.3121.454.5-67.4166000113.3
670G26.8Very low29.4Very low73 Ų73132 Ų13275%0.75378%0.781SS**  cis167.4-160.5-3.600000113.4
671D25.9Very low29Very low133 Ų133133 Ų13371%0.71179%0.788SS**  trans91.9123.8158.7-144.2-127.5000122.2
672K31.1Very low29Very low169 Ų169130.4 Ų130.474%0.73578%0.784SS**  trans47.7158.4150.8-67.1-174.7-16373.30122.4
673S30.8Very low29.9Very low114 Ų114128.1 Ų128.180%0.79778%0.777SS**  cis-147160.220.5-53.10000114.5
674D27.3Very low29.9Very low140 Ų140125.3 Ų125.375%0.74977%0.77SS**  trans-87166.1162-132.8-78.3000110.3A676D674-A676 PolarHBondContact OD1-N 3.27Å
675P46.5Very low29.9Very low117 Ų117121.3 Ų121.376%0.7676%0.762SS**  -153.8134.674.937.5-15.7000118.9
676A26.9Very low30Very low89 Ų89120 Ų12074%0.73676%0.759SS**  trans55.4167.2130.800000121.6D674D674-A676 PolarHBondContact OD1-N 3.27Å
677A29.2Very low29.9Very low85 Ų85120.4 Ų120.470%0.70276%0.764SS**  cis-152.9147.41.700000113.8
678S24.4Very low30Very low115 Ų115118.1 Ų118.180%0.80475%0.752SS**  trans25.4133.1144.162.70000124
679A28.7Very low30.1Very low100 Ų100121.8 Ų121.883%0.82676%0.762SS**  -167.3140.3114.900000113.1
680T29.2Very low30Very low133 Ų133117.3 Ų117.382%0.81675%0.746SS**  trans-123.5160170.3-22.90000108.6
681P38.3Very low30.1Very low129 Ų129119.4 Ų119.484%0.83874%0.744SS**  -147.6168.99438.2-21.4000115.5
682N28.1Very low30Very low143 Ų143119.1 Ų119.177%0.76575%0.747SS**  trans-125.6152.4166.4-172.923.7000107.5
683P44.8Very low30.5Very low104 Ų104116.2 Ų116.268%0.67575%0.745SS**  -155.4148.3113.538.7-20.3000117.6
684T27.8Very low30.2Very low124 Ų124116.9 Ų116.976%0.76175%0.745SS**  57.4130.1122.7-51.20000119.4
685S28.1Very low30.3Very low93 Ų93115.8 Ų115.865%0.6575%0.748SS**  cis-174179.95.5-138.30000115.5
686N28.2Very low29.4Very low119 Ų119114.3 Ų114.364%0.63675%0.746SS**  trans76.4129.3146.1-7738.8000123.7
687E25.6Very low29.4Very low173 Ų173114.8 Ų114.881%0.80874%0.744SS**  trans60.7162.4136.5-67.2-179.477.900122.5
688A29.2Very low29.7Very low73 Ų73117.2 Ų117.260%0.60375%0.75SS**  cis-170.4153-38.100000111.2
689T26.1Very low30.8Very low144 Ų144117.2 Ų117.288%0.88375%0.748SS**  trans65.1-177.8156.3-49.60000116.6
690S26.3Very low31Very low94 Ų94119.2 Ų119.266%0.65774%0.744SS**  trans-144.4-179.2-147.460.70000115.9
691V30Very low31.3Very low117 Ų117119.1 Ų119.171%0.70974%0.743SS**  trans74.8108.6158.8-64.50000123.2
692T23.8Very low30.8Very low126 Ų126117.6 Ų117.677%0.77374%0.741SS**  trans68.8175.7136.765.70000119.2
693P40.6Very low31.1Very low108 Ų108119.7 Ų119.770%0.70175%0.749SS**  cis-132.4159-1816.98.4000117.3
694T25.1Very low30.5Very low128 Ų128121.8 Ų121.879%0.78576%0.759SS**  49.7122.1129.2-49.20000125.2
695S29.5Very low30.7Very low117 Ų117120.9 Ų120.982%0.81876%0.758SS**  trans98.7145.8138.3-83.80000126.2
696A26.8Very low30.8Very low87 Ų87125.2 Ų125.272%0.71976%0.76SS**  trans89.371.5143.900000124.4
697S27.2Very low31Very low99 Ų99126.1 Ų126.169%0.69276%0.761SS**  36.2112.312361.80000125.1
698T35.1Very low31.3Very low135 Ų135123.9 Ų123.983%0.82876%0.759SS**  65.9160.4129.858.90000121
699P48.1Very low31.4Very low116 Ų116124 Ų12475%0.75377%0.768SS**  cis-148.4171.722.545.6-25.6000121.5
700N32.6Very low31.7Very low141 Ų141124.9 Ų124.975%0.75477%0.767SS**  trans94.7129.1136.1-13112.3000125
701V35.5Very low32.1Very low131 Ų131125.4 Ų125.479%0.79477%0.771SS**  trans49.6155.1157.1-73.70000121.4
702A29.4Very low32.3Very low97 Ų97128.9 Ų128.980%0.80278%0.776SS**  cis-139.1-174.217.200000115
703M34Very low33.1Very low187 Ų187127.6 Ų127.692%0.92177%0.77SS**  trans-107.7164.6-171.1-52178-175.100114.6
704V31.5Very low33Very low148 Ų148128.9 Ų128.990%0.89778%0.778SS**  -154.8151.5128.1132.90000110.5
705S31.8Very low33.4Very low105 Ų105130.6 Ų130.673%0.73478%0.777SS**  trans-98.6163.4-176.9-158.70000110.5
706R30.7Very low33.8Very low185 Ų185129.2 Ų129.270%0.69877%0.773SS**  cis-149.8-179.240.7-71168.354.9-93-7.7108.9
707Q31.8Very low34.5Very low138 Ų138132.6 Ų132.665%0.64578%0.778SS**  cis-149.2-170.325.9-33.6-167.996.400114.1
708T31.8Very low35.1Very low125 Ų125134.2 Ų134.277%0.76778%0.783SS**  trans-14.1131.2156.553.10000118.2
709G30.9Very low35.5Very low77 Ų77134.8 Ų134.879%0.79477%0.774SS**  cis124.696.3-13.400000116.1
710D33.2Very low35.3Very low162 Ų162134.4 Ų134.487%0.86677%0.771SS**  trans-142.2145.1131.6-176.1-123.4000107.9
711S33.8Very low35.9Very low105 Ų105134.1 Ų134.173%0.73477%0.765SS**  trans-141.3121.8-164.4-66.30000112.9
712K35.1Very low36.4Very low190 Ų190134 Ų13483%0.82676%0.759SS**  trans-118.9137.8157.2-93.2180175.6171.70110.7
713P41.1Very low37.3Very low99 Ų99133.2 Ų133.264%0.64374%0.741SS**  trans-69.3158.9-178.930.3-36000111.3Q715P713-Q715 PolarHBondContact O-N 2.87Å
714P37.3Very low38.7Very low134 Ų134127.7 Ų127.787%0.8772%0.718SS**  trans-63.8102.3175.227.3-34.4000110A716P714-A716 PolarHBondContact O-N 3.31Å
715Q33.6Very low40.1Very low164 Ų164126.2 Ų126.277%0.76670%0.701SS**  trans-68.9125.8170.5-68.6-170.8-1400108.7P713 I717P713-Q715 PolarHBondContact O-N 2.87Å; Q715-I717 PolarHBondContact O-N 3.28Å
716A39.5Very low41.7Very low88 Ų88126.2 Ų126.273%0.72769%0.691SS**  trans-62.6108.5170.700000108.6P714 V718P714-A716 PolarHBondContact O-N 3.31Å; A716-V718 PolarHBondContact O-N 2.87Å
717I40.9Very low43.2Very low159 Ų159122.1 Ų122.182%0.81568%0.683SS**  trans-73.383175.8-57.7179.2000107.7Q715 K719Q715-I717 PolarHBondContact O-N 3.28Å; I717-K719 PolarHBondContact O-N 3.28Å
718V38.8Very low44.7Very low132 Ų132123 Ų12380%0.869%0.687SS**  trans-66.986.4162.7-179.30000106.3A716 P720A716-V718 PolarHBondContact O-N 2.87Å; V718-P720 WeakPolarHBondContact O-CD 3.41Å
719K44.9Very low46.2Very low147 Ų147120.3 Ų120.364%0.63968%0.683SS**  trans-53.7122.6177.3-176.3174.9-178.7177.40107.6I717 Q721I717-K719 PolarHBondContact O-N 3.28Å; K719-Q721 VanDerWaalsContact C-N 3.29Å; K719-Q721 PolarHBondContact O-N 3.14Å
720P42.8Very low47Very low109 Ų109124.6 Ų124.671%0.70868%0.681SS**  trans-68.992.2179.527.5-33.5000108.2V718 I722V718-P720 WeakPolarHBondContact O-CD 3.41Å; P720-I722 VanDerWaalsContact C-N 3.27Å; P720-I722 PolarHBondContact O-N 3.29Å
721Q44.8Very low48.7Very low134 Ų134121 Ų12163%0.62667%0.665SS**  trans-80.883-179.5-160163.620.500107.5K719 L723 Q733K719-Q721 VanDerWaalsContact C-N 3.29Å; K719-Q721 PolarHBondContact O-N 3.14Å; Q721-L723 VanDerWaalsContact C-N 3.29Å; Q721-L723 PolarHBondContact O-N 2.94Å; Q721-Q733 VanDerWaalsContact NE2-CD 3.28Å
722I45.6Very low49.9Very low128 Ų128120.4 Ų120.466%0.65665%0.652SS**  trans-65.890.8-178.4-54.3178.8000108.1P720 T724P720-I722 VanDerWaalsContact C-N 3.27Å; P720-I722 PolarHBondContact O-N 3.29Å; I722-T724 VanDerWaalsContact C-N 3.33Å; I722-T724 HydrophobicContact CG2-CG2 3.93Å; I722-T724 PolarHBondContact O-N 3.49Å
723L48.3Very low50.6Low82 Ų82117.4 Ų117.443%0.42964%0.641SS.*  trans-72.291172.9-179.565000108.1Q721 H725 I726 V731 I732Q721-L723 VanDerWaalsContact C-N 3.29Å; Q721-L723 PolarHBondContact O-N 2.94Å; L723-H725 PolarHBondContact O-N 3.44Å; L723-I726 HydrophobicContact CD2-CD1 3.93Å; L723-I726 HydrophobicContact CD2-CG1 3.87Å; L723-I726 HydrophobicContact CG-CG1 4.41Å; L723-V731 HydrophobicContact CD1-CG1 3.51Å; L723-V731 HydrophobicContact CD2-CG1 4.08Å; L723-V731 HydrophobicContact CG-CG1 4.46Å; L723-I732 WeakPolarHBondContact CD1-O 3.28Å
724T65Low51.5Low70 Ų70119.8 Ų119.843%0.42964%0.643SS.*  trans-66.4-39.6-170.9590000112.4I722I722-T724 VanDerWaalsContact C-N 3.33Å; I722-T724 HydrophobicContact CG2-CG2 3.93Å; I722-T724 PolarHBondContact O-N 3.49Å
725H59.9Low52.2Low118 Ų118116.2 Ų116.255%0.54663%0.631SS.*EExtended strand (participates in β ladder)trans-148.6138.1-177.2-56.487.9000113.6L723 I727 I732L723-H725 PolarHBondContact O-N 3.44Å; H725-I727 HydrophobicContact CB-CG1 4.35Å; H725-I732 PolarHBondContact O-N 2.88Å
726I66.1Low52.9Low104 Ų104112.7 Ų112.753%0.53363%0.63SS.*EExtended strand (participates in β ladder)trans-108.4129.1158.4-58.6177.2000106.7L723 V731L723-I726 HydrophobicContact CD2-CD1 3.93Å; L723-I726 HydrophobicContact CD2-CG1 3.87Å; L723-I726 HydrophobicContact CG-CG1 4.41Å; I726-V731 HydrophobicContact CD1-CG2 4.47Å; I726-V731 HydrophobicContact CG1-CG2 4.48Å
727I61.9Low53.2Low100 Ų100116.7 Ų116.751%0.51363%0.634SS.*EExtended strand (participates in β ladder)trans-127.4125.4179-58.5179.9000109H725 G729 F730 I732H725-I727 HydrophobicContact CB-CG1 4.35Å; I727-G729 PolarHBondContact O-N 3.39Å; I727-F730 PolarHBondContact N-O 3.08Å; I727-F730 PolarHBondContact O-N 3.29Å; I727-I732 HydrophobicContact CD1-CD1 4.33Å
728E62.7Low53.9Low156 Ų156114.9 Ų114.973%0.72963%0.633SS**THydrogen-bonded Turntrans41.639.9176.7-60-157.412000115.5K391K391-E728 IonicContact NZ-OE1 3.74Å; K391-E728 PolarHBondContact NZ-OE1 3.24Å
729G62.9Low53.6Low68 Ų68117.9 Ų117.970%0.70164%0.635SS**THydrogen-bonded Turntrans98-6.7174.900000115.6I727I727-G729 PolarHBondContact O-N 3.39Å
730F49.6Very low53.9Low168 Ų168116.9 Ų116.974%0.73764%0.644SS**EExtended strand (participates in β ladder)trans-103.3130.6179.2-64.9-86.7000111.8I727 I732I727-F730 PolarHBondContact N-O 3.08Å; I727-F730 PolarHBondContact O-N 3.29Å; F730-I732 PolarHBondContact O-N 3.41Å
731V67.1Low54Low87 Ų87118.2 Ų118.253%0.52765%0.649SS.*EExtended strand (participates in β ladder)trans-86.7103.4179.7179.50000108.4L723 I726 Q733L723-V731 HydrophobicContact CD1-CG1 3.51Å; L723-V731 HydrophobicContact CD2-CG1 4.08Å; L723-V731 HydrophobicContact CG-CG1 4.46Å; I726-V731 HydrophobicContact CD1-CG2 4.47Å; I726-V731 HydrophobicContact CG1-CG2 4.48Å; V731-Q733 PolarHBondContact O-N 2.86Å
732I59.3Low53.8Low91 Ų91115.4 Ų115.447%0.46766%0.657SS.*EExtended strand (participates in β ladder)trans-82.599178-56.5179.6000108.2L723 H725 I727 F730L723-I732 WeakPolarHBondContact CD1-O 3.28Å; H725-I732 PolarHBondContact O-N 2.88Å; I727-I732 HydrophobicContact CD1-CD1 4.33Å; F730-I732 PolarHBondContact O-N 3.41Å
733Q50.8Low53.3Low127 Ų127114.9 Ų114.959%0.59366%0.663SS**PPolyproline II helixtrans-90116.8177-165.2163.492.700109.3Q721 V731 G735Q721-Q733 VanDerWaalsContact NE2-CD 3.28Å; V731-Q733 PolarHBondContact O-N 2.86Å; Q733-G735 PolarHBondContact O-N 3.42Å
734E58.5Low52.9Low149 Ų149117 Ų11770%0.69668%0.684SS**PPolyproline II helixtrans-65.9130.1-177.4-170.7168.7-171.100111.2
735G54Low51.5Low60 Ų60123 Ų12362%0.61971%0.708SS**PPolyproline II helixtrans-66.7139.1179.300000111.4Q733 E737Q733-G735 PolarHBondContact O-N 3.42Å; G735-E737 PolarHBondContact O-N 3.28Å
736A47.7Very low50.6Low90 Ų90124.8 Ų124.874%0.74472%0.721SS**SBendtrans-78.25.4-176.200000114.6
737E46.4Very low49.1Very low171 Ų171127.3 Ų127.380%0.79973%0.734SS**SBendtrans-119.6135.6176.3-65.9-162126.400111.1G735G735-E737 PolarHBondContact O-N 3.28Å
738P54.6Low47.6Very low122 Ų122131.8 Ų131.879%0.79275%0.75SS**  trans-71.8142.4174.530.8-34.2000111.1
739F33.4Very low46.1Very low195 Ų195133.2 Ų133.286%0.85576%0.757SS**  trans-56.1127.7-178.2-75-90.1000112.7V741F739-V741 PolarHBondContact O-N 2.97Å; F739-V741 VanDerWaalsContact O-N 3.16Å
740P50.8Low44.6Very low126 Ų126133.7 Ų133.782%0.81875%0.749SS**  trans-71.6109.9179.427.5-33.7000111.4G742P740-G742 PolarHBondContact O-N 3.09Å
741V44Very low43.7Very low136 Ų136134.7 Ų134.782%0.82476%0.756SS**  trans-79.683.5176.2-75.40000111.5F739 C743F739-V741 PolarHBondContact O-N 2.97Å; F739-V741 VanDerWaalsContact O-N 3.16Å; V741-C743 PolarHBondContact O-N 2.8Å; V741-C743 VanDerWaalsContact O-N 3.08Å
742G41.4Very low41.9Very low76 Ų76140.1 Ų140.178%0.78477%0.773SS**  trans-63.9104.5175.700000112.6P740P740-G742 PolarHBondContact O-N 3.09Å
743C33.9Very low40.7Very low117 Ų117141.2 Ų141.279%0.79179%0.786SS**  trans-77.6133.3167-66.90000109.9V741 Q745V741-C743 PolarHBondContact O-N 2.8Å; V741-C743 VanDerWaalsContact O-N 3.08Å; C743-Q745 PolarHBondContact O-N 3.01Å
744S40.2Very low39.7Very low125 Ų125142.9 Ų142.987%0.87480%0.798SS**  trans-64.4121.7-174.7-52.30000112.4
745Q36.4Very low38.3Very low197 Ų197144.3 Ų144.392%0.92181%0.805SS**  trans-83.1112.4163.6-72.1-155.468.200110.1C743C743-Q745 PolarHBondContact O-N 3.01Å
746L40.1Very low37Very low156 Ų156145.3 Ų145.382%0.81781%0.814SS**  trans-148.9142.4160.4-160.473.5000108.1
747L34.9Very low36Very low157 Ų157145 Ų14582%0.82282%0.82SS**SBendtrans70.659.9176.3-48.9-176.5000118
748K30.1Very low35.1Very low194 Ų194141.3 Ų141.384%0.84382%0.819SS**  trans-152.878.8134.9-154.470.4-174.6169.70114.2
749E32Very low34.3Very low185 Ų185141.4 Ų141.486%0.86482%0.819SS**  trans-102.9159.7155.2-166.3163.594.200109.1
750S31Very low33.9Very low78 Ų78138.2 Ų138.255%0.54582%0.821SS.*  trans65.5131.9-168.6-56.80000115.4
751E30.5Very low32.8Very low189 Ų189135 Ų13588%0.88381%0.811SS**  cis-152-179.11.1-122.1165.9135.500112.2
752K29.3Very low32Very low202 Ų202137.7 Ų137.788%0.87882%0.815SS**  trans-93169.1-162.6-100.8-174.2174.6174.50115.4
753P35.6Very low31.2Very low114 Ų114139.2 Ų139.274%0.7481%0.813SS**  trans-99.1169.4-158.639.6-38.8000115.1
754L28.5Very low31.1Very low161 Ų161142.7 Ų142.784%0.84382%0.818SS**  trans-146.5170.1154-111169.6000112.3
755Q29.1Very low30.6Very low180 Ų180143 Ų14384%0.84181%0.81SS**  trans-92.7162.5-155.1-58.1154.824.900114.9
756G26.7Very low30.5Very low80 Ų80141.7 Ų141.783%0.82581%0.808SS**  123.8133.8124.900000119
757G27.2Very low30Very low83 Ų83139 Ų13986%0.85680%0.802SS**  trans95.5107.9146.800000118.8
758A26.8Very low29.8Very low95 Ų95137.4 Ų137.479%0.78581%0.805SS**  trans-102.1147141.300000107.7
759P39.1Very low29.9Very low123 Ų123135.8 Ų135.880%0.79981%0.805SS**  -123158.393.51.221000111.6
760S24.3Very low29.9Very low128 Ų128131.9 Ų131.990%0.89580%0.799SS**  81.812950.4-155.80000114.1
761G27.6Very low30.8Very low59 Ų59133.8 Ų133.861%0.60881%0.809SS**  trans129.3122-166.800000108.8
762Q27.4Very low31.1Very low192 Ų192128.6 Ų128.690%0.89781%0.806SS**  cis56.812649.2-57.5-166.779.900111.6
763S25.5Very low31.2Very low108 Ų108129.9 Ų129.976%0.75581%0.806SS**  cis-161.4-171-1.3-167.10000110.1
764E30Very low31.2Very low191 Ų191131.4 Ų131.489%0.89381%0.807SS**  trans98.7136.9155.6-49.7-153.798.200118.6
765N29.8Very low31.4Very low130 Ų130127.8 Ų127.870%0.69580%0.796SS**  trans-107.5149179.1-172-77.2000106.3
766L34.4Very low32.1Very low170 Ų170125.8 Ų125.889%0.8980%0.796SS**  trans-171.2151.6130.7-101.2162.2000111
767S31Very low32.7Very low99 Ų99127 Ų12769%0.69279%0.792SS**  trans-85.9157.9-174.5-59.20000112.4
768S31Very low33.4Very low124 Ų124130.1 Ų130.187%0.86779%0.786SS**  trans-152.4151.5141.9-850000111
769N30.6Very low34.4Very low160 Ų160134.4 Ų134.486%0.85679%0.79SS**  trans-78.3142.3-173.8-79.3-37.2000112.6
770S32.2Very low34.8Very low104 Ų104136.2 Ų136.273%0.72779%0.792SS**  28.7146.9115.5-150.70000119.6
771P49.4Very low35.8Very low118 Ų118136.5 Ų136.577%0.76678%0.784SS**  cis-133.3179.8-29.934.7-17.4000113
772G37.3Very low37Very low80 Ų80141.5 Ų141.583%0.82579%0.789SS**  trans97.8110.1153.500000115.9
773R31.3Very low38.2Very low228 Ų228141.1 Ų141.186%0.8678%0.784SS**  trans-152.6122.4151.6-177.3166.5-177.4-133.3-2.2109.7
774D36.4Very low39.7Very low146 Ų146139.9 Ų139.978%0.78178%0.78SS**  trans-61140.4167.9-82.3-66.7000111.2
775S32.9Very low41.9Very low86 Ų86134.9 Ų134.960%0.60176%0.759SS**  trans-14976.9166.9-75.30000109.1S777S775-S777 PolarHBondContact O-N 3.06Å
776T43.2Very low44.6Very low137 Ų137132.6 Ų132.684%0.8475%0.747SS**  trans-62.174.716747.70000110.6
777S40Very low47.2Very low106 Ų106127.2 Ų127.274%0.74172%0.718SS**  trans-145.541.4-179.7-170.10000111.7S775S775-S777 PolarHBondContact O-N 3.06Å
778M40.7Very low50.2Low149 Ų149128 Ų12873%0.73471%0.709SS**  trans-139.936.5176.5-64.4-168-177.800112.6
779E47.8Very low53.2Low184 Ų184122.1 Ų122.186%0.8667%0.668SS**SBendtrans-111.84.6-174-147.9176.6110.800115.5
780L48.5Very low56Low162 Ų162119 Ų11985%0.84865%0.649SS**SBendtrans-102.6-32.4174.7-136.473.2000114.5
781D45.2Very low58.8Low134 Ų134117.8 Ų117.872%0.71763%0.629SS**G310 helixtrans-80.6-27.9-169.5-127.5-89.2000114.8K783 A784D781-K783 PolarHBondContact O-N 3.38Å; D781-A784 PolarHBondContact O-N 2.96Å
782K52.8Low60.8Low164 Ų164114.7 Ų114.771%0.71361%0.609SS**G310 helixtrans-65.7-8.6-175.1-73.9169.3-178155.20114.4
783K52.1Low63.2Low184 Ų184112.5 Ų112.580%0.859%0.586SS**G310 helixtrans-90-16.9-178-146.8166.6-173.8172.70113.7D781 N785D781-K783 PolarHBondContact O-N 3.38Å; K783-N785 PolarHBondContact O-N 3.15Å
784A58.1Low66.1Low81 Ų81108.9 Ų108.967%0.66958%0.577SS**THydrogen-bonded Turntrans-77.7-11.3-172.900000115.4D781D781-A784 PolarHBondContact O-N 2.96Å
785N74.9Confident68.8Low87 Ų87108.9 Ų108.947%0.46557%0.567SS.*THydrogen-bonded Turntrans-116.323.5-169.1-92.6-84.6000115.1K783 P797 A798K783-N785 PolarHBondContact O-N 3.15Å; N785-P797 CarbonylContact O-C 3.05Å; N785-P797 WeakPolarHBondContact O-CA 3.42Å; N785-A798 PolarHBondContact O-N 3.12Å
786L86.5Confident71.4Confident82 Ų82105.2 Ų105.243%0.42954%0.542SS..EExtended strand (participates in β ladder)trans-92.9115.5173.7-74.475.1000111.4A796L786-A796 CarbonylContact C-O 3.53Å; L786-A796 WeakPolarHBondContact CA-O 3.5Å
787L89.8Confident73.5Confident56 Ų56101.2 Ų101.229%0.29352%0.519SS..EExtended strand (participates in β ladder)trans-91.1147.3171.6-80.771.2000110.2Y795 A796 A798 F801 K805L787-Y795 CarbonylContact O-C 3.58Å; L787-Y795 WeakPolarHBondContact O-CA 3.3Å; L787-A796 PolarHBondContact N-O 3.29Å; L787-A796 PolarHBondContact O-N 3.44Å; L787-A798 HydrophobicContact CD1-CB 3.68Å; L787-F801 HydrophobicContact CB-CD1 4.43Å; L787-F801 HydrophobicContact CB-CD2 4.08Å; L787-F801 HydrophobicContact CB-CE1 4.06Å; L787-F801 HydrophobicContact CB-CE2 3.69Å; L787-F801 HydrophobicContact CB-CG 4.45Å; L787-F801 HydrophobicContact CB-CZ 3.68Å; L787-F801 WeakPolarHBondContact O-CE2 3.43Å; L787-F801 WeakPolarHBondContact O-CZ 3.48Å; L787-K805 HydrophobicContact CD2-CB 4.06Å; L787-K805 VanDerWaalsContact CD2-O 3.29Å; L787-K805 WeakPolarHBondContact CD2-O 3.28Å
788K94.3Very high75.7Confident116 Ų11697.7 Ų97.750%0.50450%0.496SS..EExtended strand (participates in β ladder)trans-85.5128.9172.7-163.3-178.4-167.3164.70110E790 G793 Y795K788-E790 PolarHBondContact O-N 2.6Å; K788-G793 WeakPolarHBondContact CE-O 3.42Å; K788-G793 WeakPolarHBondContact CG-O 3.31Å; K788-Y795 HydrophobicContact CB-CD1 3.98Å; K788-Y795 HydrophobicContact CB-CE1 3.76Å; K788-Y795 HydrophobicContact CB-CG 4.48Å; K788-Y795 HydrophobicContact CD-CE1 4.24Å; K788-Y795 HydrophobicContact CD-CE2 3.98Å; K788-Y795 HydrophobicContact CG-CD1 4.37Å; K788-Y795 HydrophobicContact CG-CD2 4.29Å; K788-Y795 HydrophobicContact CG-CE1 4.06Å; K788-Y795 HydrophobicContact CG-CE2 3.95Å; K788-Y795 HydrophobicContact CG-CG 4.48Å
789C93.4Very high77.7Confident0 Ų096.9 Ų96.90%050%0.499CS..PPolyproline II helixtrans-75.2123.4172.3-1790000110.1Y791 C792 G793 K794 F801 C808C789-Y791 PolarHBondContact O-N 3.34Å; C789-C792 VanDerWaalsContact CB-SG 3.52Å; C789-G793 VanDerWaalsContact O-CA 3.28Å; C789-G793 WeakPolarHBondContact O-CA 3.32Å; C789-G793 PolarHBondContact O-N 3.04Å; C789-K794 PolarHBondContact N-O 2.93Å; C789-F801 HydrophobicContact CB-CE1 4.19Å; C789-F801 HydrophobicContact CB-CZ 4.08Å; C789-C808 HydrophobicContact CB-CB 3.94Å; C789-C808 PolarHBondContact SG-N 3.05Å; C789-C808 VanDerWaalsContact SG-N 3.44Å; C789-C808 VanDerWaalsContact SG-SG 3.62Å
790E89Confident79.2Confident95 Ų9593.4 Ų93.444%0.44448%0.483SS..THydrogen-bonded Turntrans-69-19.5-174.8-154.3179.3140.300113.4K788 R806 F807 Y816K788-E790 PolarHBondContact O-N 2.6Å; E790-R806 PolarHBondContact N-O 2.88Å; E790-R806 IonicContact OE1-CZ 3.11Å; E790-R806 IonicContact OE1-NH2 2.68Å; E790-R806 PolarHBondContact OE1-NH2 2.97Å; E790-R806 IonicContact OE2-CZ 2.7Å; E790-R806 IonicContact OE2-NE 3.96Å; E790-R806 PolarHBondContact OE2-NE 3.03Å; E790-R806 IonicContact OE2-NH2 2.76Å; E790-R806 PolarHBondContact OE2-NH2 3.38Å; E790-F807 HydrophobicContact CB-CE1 4.06Å; E790-Y816 HydrophobicContact CB-CE2 4.36Å; E790-Y816 HydrophobicContact CG-CE2 4Å; E790-Y816 WeakPolarHBondContact OE1-CE2 3.37Å; E790-Y816 PolarHBondContact OE1-OH 3.43Å
791Y91Very high81.1Confident79 Ų7986.1 Ų86.131%0.3145%0.445SS..THydrogen-bonded Turntrans-87.2-55.5175.6-179.5-106000113.5C789 C812 R815C789-Y791 PolarHBondContact O-N 3.34Å; Y791-C812 HydrophobicContact CD1-CB 4Å; Y791-C812 HydrophobicContact CG-CB 4.3Å; Y791-R815 HydrophobicContact CD1-CB 4.26Å; Y791-R815 HydrophobicContact CD2-CB 4.08Å; Y791-R815 HydrophobicContact CE1-CB 3.77Å; Y791-R815 HydrophobicContact CE1-CG 4.31Å; Y791-R815 HydrophobicContact CE2-CB 3.58Å; Y791-R815 HydrophobicContact CG-CB 4.42Å; Y791-R815 VanDerWaalsContact CZ-CB 3.43Å; Y791-R815 VanDerWaalsContact OH-CD 3.23Å; Y791-R815 WeakPolarHBondContact OH-CD 3.46Å
792C91.1Very high82.4Confident52 Ų5289 Ų8935%0.35145%0.445SS..THydrogen-bonded Turntrans-99.32-171.467.60000113.9C789 K794 C808C789-C792 VanDerWaalsContact CB-SG 3.52Å; C792-K794 PolarHBondContact O-N 3.33Å; C792-C808 VanDerWaalsContact SG-SG 3.7Å
793G89.3Confident83.2Confident34 Ų3485 Ų8535%0.35145%0.451SS..  trans68.2-10.7179.200000115.9K788 C789K788-G793 WeakPolarHBondContact CE-O 3.42Å; K788-G793 WeakPolarHBondContact CG-O 3.31Å; C789-G793 VanDerWaalsContact O-CA 3.28Å; C789-G793 WeakPolarHBondContact O-CA 3.32Å; C789-G793 PolarHBondContact O-N 3.04Å
794K90.6Very high84.2Confident152 Ų15279.2 Ų79.266%0.66143%0.434SS*.  trans-73.7141.8-175.6-58.5-160.7177.4-166.70111.8C789 C792C789-K794 PolarHBondContact N-O 2.93Å; C792-K794 PolarHBondContact O-N 3.33Å
795Y93.3Very high85.4Confident146 Ų14681.3 Ų81.357%0.57343%0.427SS*.EExtended strand (participates in β ladder)trans-87.3134.1172.6-66.6-100.1000109.5L787 K788L787-Y795 CarbonylContact O-C 3.58Å; L787-Y795 WeakPolarHBondContact O-CA 3.3Å; K788-Y795 HydrophobicContact CB-CD1 3.98Å; K788-Y795 HydrophobicContact CB-CE1 3.76Å; K788-Y795 HydrophobicContact CB-CG 4.48Å; K788-Y795 HydrophobicContact CD-CE1 4.24Å; K788-Y795 HydrophobicContact CD-CE2 3.98Å; K788-Y795 HydrophobicContact CG-CD1 4.37Å; K788-Y795 HydrophobicContact CG-CD2 4.29Å; K788-Y795 HydrophobicContact CG-CE1 4.06Å; K788-Y795 HydrophobicContact CG-CE2 3.95Å; K788-Y795 HydrophobicContact CG-CG 4.48Å
796A88.1Confident86.2Confident10 Ų1082.3 Ų82.38%0.08343%0.425CS..EExtended strand (participates in β ladder)trans-147.7155177.700000111L786 L787 F801 C808L786-A796 CarbonylContact C-O 3.53Å; L786-A796 WeakPolarHBondContact CA-O 3.5Å; L787-A796 PolarHBondContact N-O 3.29Å; L787-A796 PolarHBondContact O-N 3.44Å; A796-F801 HydrophobicContact CB-CE2 3.89Å; A796-F801 WeakPolarHBondContact O-CE2 3.46Å; A796-C808 HydrophobicContact CB-CB 4.35Å
797P87.8Confident86.5Confident53 Ų5379.2 Ų79.234%0.34441%0.408SS..EExtended strand (participates in β ladder)trans-55.9142.4178.6-26.935.5000113N785 T799 Q800N785-P797 CarbonylContact O-C 3.05Å; N785-P797 WeakPolarHBondContact O-CA 3.42Å; P797-T799 PolarHBondContact O-N 3.23Å; P797-Q800 WeakPolarHBondContact O-CB 3.45Å; P797-Q800 PolarHBondContact O-N 2.86Å
798A84.8Confident86.6Confident32 Ų3278 Ų7826%0.26440%0.404SS..G310 helixtrans-51.2-31.5-178.700000113.8N785 L787 Q800 F801N785-A798 PolarHBondContact O-N 3.12Å; L787-A798 HydrophobicContact CD1-CB 3.68Å; A798-Q800 VanDerWaalsContact C-N 3.26Å; A798-Q800 PolarHBondContact O-N 3.43Å; A798-F801 PolarHBondContact O-N 3.39Å
799T84Confident86.4Confident132 Ų13274.7 Ų74.781%0.8140%0.395SS*.G310 helixtrans-65-23.6176.951.70000114.1P797P797-T799 PolarHBondContact O-N 3.23Å
800Q79.4Confident86Confident110 Ų11080.6 Ų80.651%0.51442%0.424SS..G310 helixtrans-81-20176.2-59-171.7100112.4P797 A798 R802P797-Q800 WeakPolarHBondContact O-CB 3.45Å; P797-Q800 PolarHBondContact O-N 2.86Å; A798-Q800 VanDerWaalsContact C-N 3.26Å; A798-Q800 PolarHBondContact O-N 3.43Å; Q800-R802 PolarHBondContact O-N 2.82Å; Q800-R802 VanDerWaalsContact O-N 3.1Å
801F88Confident86.1Confident9 Ų980.1 Ų80.14%0.03943%0.428CS..SBendtrans-81.490.3-179.6-76.1-109.3000111.6L787 C789 A796 A798 G803 K805 F807 C808L787-F801 HydrophobicContact CB-CD1 4.43Å; L787-F801 HydrophobicContact CB-CD2 4.08Å; L787-F801 HydrophobicContact CB-CE1 4.06Å; L787-F801 HydrophobicContact CB-CE2 3.69Å; L787-F801 HydrophobicContact CB-CG 4.45Å; L787-F801 HydrophobicContact CB-CZ 3.68Å; L787-F801 WeakPolarHBondContact O-CE2 3.43Å; L787-F801 WeakPolarHBondContact O-CZ 3.48Å; C789-F801 HydrophobicContact CB-CE1 4.19Å; C789-F801 HydrophobicContact CB-CZ 4.08Å; A796-F801 HydrophobicContact CB-CE2 3.89Å; A796-F801 WeakPolarHBondContact O-CE2 3.46Å; A798-F801 PolarHBondContact O-N 3.39Å; F801-G803 PolarHBondContact O-N 3.43Å; F801-G803 VanDerWaalsContact O-N 3.08Å; F801-K805 WeakPolarHBondContact CD1-O 3.49Å; F801-F807 VanDerWaalsContact CD1-O 3.32Å; F801-F807 WeakPolarHBondContact CD1-O 3.39Å; F801-C808 HydrophobicContact CD2-CB 4.36Å; F801-C808 HydrophobicContact CE1-CB 4.22Å; F801-C808 HydrophobicContact CE2-CB 3.91Å; F801-C808 HydrophobicContact CZ-CB 3.83Å
802R72.8Confident86.2Confident195 Ų19577 Ų7774%0.73642%0.417SS*.  trans-59.2110.7178.2-71.2-70.2-172169.60.8112.2Q800 S804Q800-R802 PolarHBondContact O-N 2.82Å; Q800-R802 VanDerWaalsContact O-N 3.1Å; R802-S804 PolarHBondContact O-N 3.29Å; R802-S804 PolarHBondContact O-OG 2.98Å
803G68.4Low86.1Confident80 Ų8075.7 Ų75.783%0.82541%0.411SS*.SBendtrans68.6-62.5166.200000115.5F801 K805F801-G803 PolarHBondContact O-N 3.43Å; F801-G803 VanDerWaalsContact O-N 3.08Å; G803-K805 VanDerWaalsContact C-N 3.33Å; G803-K805 PolarHBondContact O-N 3.4Å
804S74.4Confident86Confident63 Ų6381.3 Ų81.344%0.44143%0.425SS..SBendtrans-71.8-16-171.963.30000115.9R802 R806R802-S804 PolarHBondContact O-N 3.29Å; R802-S804 PolarHBondContact O-OG 2.98Å; S804-R806 PolarHBondContact O-N 3.43Å
805K83.6Confident85.8Confident124 Ų12480.5 Ų80.554%0.53942%0.418SS..SBendtrans53.7-3.2-172-65.7-174.4179.6179.30117.4L787 F801 G803L787-K805 HydrophobicContact CD2-CB 4.06Å; L787-K805 VanDerWaalsContact CD2-O 3.29Å; L787-K805 WeakPolarHBondContact CD2-O 3.28Å; F801-K805 WeakPolarHBondContact CD1-O 3.49Å; G803-K805 VanDerWaalsContact C-N 3.33Å; G803-K805 PolarHBondContact O-N 3.4Å
806R91.1Very high85.4Confident108 Ų10876.1 Ų76.141%0.40840%0.401SS..SBendtrans-96.2-23.3178.6-66.6173.864.6-158.21.7114.4E790 S804 Y816E790-R806 PolarHBondContact N-O 2.88Å; E790-R806 IonicContact OE1-CZ 3.11Å; E790-R806 IonicContact OE1-NH2 2.68Å; E790-R806 PolarHBondContact OE1-NH2 2.97Å; E790-R806 IonicContact OE2-CZ 2.7Å; E790-R806 IonicContact OE2-NE 3.96Å; E790-R806 PolarHBondContact OE2-NE 3.03Å; E790-R806 IonicContact OE2-NH2 2.76Å; E790-R806 PolarHBondContact OE2-NH2 3.38Å; S804-R806 PolarHBondContact O-N 3.43Å; R806-Y816 PolarHBondContact NH2-OH 3.23Å
807F92.9Very high85Confident18 Ų1881.3 Ų81.38%0.07943%0.427CS..  trans-126.5128.3-175.2-50.4-66.8000112.3E790 F801 S809 C812 A813 Y816E790-F807 HydrophobicContact CB-CE1 4.06Å; F801-F807 VanDerWaalsContact CD1-O 3.32Å; F801-F807 WeakPolarHBondContact CD1-O 3.39Å; F807-S809 PolarHBondContact O-N 2.93Å; F807-C812 HydrophobicContact CB-CB 4.07Å; F807-C812 HydrophobicContact CD1-CB 4.4Å; F807-A813 HydrophobicContact CB-CB 3.93Å; F807-A813 HydrophobicContact CD2-CB 3.49Å; F807-A813 VanDerWaalsContact CD2-CB 3.49Å; F807-A813 HydrophobicContact CE2-CB 4.21Å; F807-A813 HydrophobicContact CG-CB 3.74Å; F807-Y816 HydrophobicContact CD1-CG 4.49Å; F807-Y816 AromaticContact CE1-CD1 3.85Å; F807-Y816 HydrophobicContact CE1-CD1 3.85Å; F807-Y816 AromaticContact CE1-CD2 3.57Å; F807-Y816 HydrophobicContact CE1-CD2 3.57Å; F807-Y816 HydrophobicContact CE1-CE1 4.49Å; F807-Y816 HydrophobicContact CE1-CE2 4.22Å; F807-Y816 AromaticContact CE1-CG 3.36Å; F807-Y816 HydrophobicContact CE1-CG 3.36Å; F807-Y816 AromaticContact CZ-CD1 3.46Å; F807-Y816 HydrophobicContact CZ-CD1 3.46Å; F807-Y816 VanDerWaalsContact CZ-CD1 3.46Å; F807-Y816 HydrophobicContact CZ-CD2 4.01Å; F807-Y816 AromaticContact CZ-CE1 3.95Å; F807-Y816 HydrophobicContact CZ-CE1 3.95Å; F807-Y816 HydrophobicContact CZ-CE2 4.41Å; F807-Y816 AromaticContact CZ-CG 3.52Å; F807-Y816 HydrophobicContact CZ-CG 3.52Å
808C92.3Very high84.3Confident31 Ų3183.2 Ų83.221%0.20944%0.438CS..SBendtrans-73.1-6.7178.268.90000113.6C789 C792 A796 F801C789-C808 HydrophobicContact CB-CB 3.94Å; C789-C808 PolarHBondContact SG-N 3.05Å; C789-C808 VanDerWaalsContact SG-N 3.44Å; C789-C808 VanDerWaalsContact SG-SG 3.62Å; C792-C808 VanDerWaalsContact SG-SG 3.7Å; A796-C808 HydrophobicContact CB-CB 4.35Å; F801-C808 HydrophobicContact CD2-CB 4.36Å; F801-C808 HydrophobicContact CE1-CB 4.22Å; F801-C808 HydrophobicContact CE2-CB 3.91Å; F801-C808 HydrophobicContact CZ-CB 3.83Å
809S89.6Confident83.5Confident45 Ų4584.5 Ų84.532%0.31545%0.445SS..SBendtrans-157.3158.3173.772.30000112.1F807 T811 C812 A813F807-S809 PolarHBondContact O-N 2.93Å; S809-T811 PolarHBondContact O-N 2.66Å; S809-C812 WeakPolarHBondContact O-CB 3.5Å; S809-C812 PolarHBondContact O-N 3.34Å; S809-C812 VanDerWaalsContact O-N 3.11Å; S809-C812 PolarHBondContact OG-N 3.4Å; S809-C812 PolarHBondContact OG-SG 2.99Å; S809-A813 PolarHBondContact O-N 2.92Å; S809-A813 VanDerWaalsContact O-N 3.1Å
810M85.7Confident82.4Confident124 Ų12479.3 Ų79.361%0.61141%0.413SS*.Hα-helixtrans-60-30.6174.2-146.570.975.400112A813 K814M810-A813 PolarHBondContact O-N 2.86Å; M810-K814 WeakPolarHBondContact O-CB 3.23Å; M810-K814 WeakPolarHBondContact O-CG 3.4Å; M810-K814 PolarHBondContact O-N 3.49Å
811T90.4Very high81.7Confident86 Ų8676.3 Ų76.353%0.52841%0.405SS..Hα-helixtrans-66.5-42.6174.8-47.90000111.6S809 K814 R815S809-T811 PolarHBondContact O-N 2.66Å; T811-K814 PolarHBondContact O-N 3.45Å; T811-R815 WeakPolarHBondContact O-CG 3.22Å; T811-R815 PolarHBondContact O-N 3.39Å
812C92.1Very high80.4Confident12 Ų1281.2 Ų81.28%0.08143%0.427CS..Hα-helixtrans-63.2-43.7174.8-68.90000111.5Y791 F807 S809 R815 Y816Y791-C812 HydrophobicContact CD1-CB 4Å; Y791-C812 HydrophobicContact CG-CB 4.3Å; F807-C812 HydrophobicContact CB-CB 4.07Å; F807-C812 HydrophobicContact CD1-CB 4.4Å; S809-C812 WeakPolarHBondContact O-CB 3.5Å; S809-C812 PolarHBondContact O-N 3.34Å; S809-C812 VanDerWaalsContact O-N 3.11Å; S809-C812 PolarHBondContact OG-N 3.4Å; S809-C812 PolarHBondContact OG-SG 2.99Å; C812-R815 PolarHBondContact O-N 3.26Å; C812-Y816 VanDerWaalsContact O-CB 3.27Å; C812-Y816 WeakPolarHBondContact O-CB 3.39Å; C812-Y816 PolarHBondContact O-N 3.49Å
813A89.6Confident80.1Confident26 Ų2677.4 Ų77.422%0.21542%0.418CS..Hα-helixtrans-60.9-46.117600000112.4F807 S809 M810 N817F807-A813 HydrophobicContact CB-CB 3.93Å; F807-A813 HydrophobicContact CD2-CB 3.49Å; F807-A813 VanDerWaalsContact CD2-CB 3.49Å; F807-A813 HydrophobicContact CE2-CB 4.21Å; F807-A813 HydrophobicContact CG-CB 3.74Å; S809-A813 PolarHBondContact O-N 2.92Å; S809-A813 VanDerWaalsContact O-N 3.1Å; M810-A813 PolarHBondContact O-N 2.86Å; A813-N817 PolarHBondContact O-N 3Å; A813-N817 VanDerWaalsContact O-N 3.09Å
814K87.9Confident79.4Confident152 Ų15280.4 Ų80.466%0.66141%0.409SS*.Hα-helixtrans-62.1-46.9177.2-76.8-179.5177.2-173.90112.2M810 T811 N817 V818M810-K814 WeakPolarHBondContact O-CB 3.23Å; M810-K814 WeakPolarHBondContact O-CG 3.4Å; M810-K814 PolarHBondContact O-N 3.49Å; T811-K814 PolarHBondContact O-N 3.45Å; K814-N817 PolarHBondContact O-N 3.41Å; K814-V818 PolarHBondContact O-N 3.47Å
815R85.7Confident79Confident135 Ų13585.5 Ų85.551%0.50942%0.418SS..Hα-helixtrans-65.7-43.6178.8-69.6-170.7-179-1571.2111.9Y791 T811 C812 N817 V818 S819Y791-R815 HydrophobicContact CD1-CB 4.26Å; Y791-R815 HydrophobicContact CD2-CB 4.08Å; Y791-R815 HydrophobicContact CE1-CB 3.77Å; Y791-R815 HydrophobicContact CE1-CG 4.31Å; Y791-R815 HydrophobicContact CE2-CB 3.58Å; Y791-R815 HydrophobicContact CG-CB 4.42Å; Y791-R815 VanDerWaalsContact CZ-CB 3.43Å; Y791-R815 VanDerWaalsContact OH-CD 3.23Å; Y791-R815 WeakPolarHBondContact OH-CD 3.46Å; T811-R815 WeakPolarHBondContact O-CG 3.22Å; T811-R815 PolarHBondContact O-N 3.39Å; C812-R815 PolarHBondContact O-N 3.26Å; R815-N817 VanDerWaalsContact C-N 3.33Å; R815-N817 PolarHBondContact O-N 3.02Å; R815-V818 PolarHBondContact O-N 3.44Å; R815-V818 VanDerWaalsContact O-N 3.15Å; R815-S819 PolarHBondContact O-N 3.48Å; R815-S819 PolarHBondContact O-OG 2.95Å
816Y84.3Confident78Confident54 Ų5484.3 Ų84.321%0.21242%0.417CS..Hα-helixtrans-56.9-43.7175.8-179.3-83.5000112.6E790 R806 F807 C812 V818 S819 C820E790-Y816 HydrophobicContact CB-CE2 4.36Å; E790-Y816 HydrophobicContact CG-CE2 4Å; E790-Y816 WeakPolarHBondContact OE1-CE2 3.37Å; E790-Y816 PolarHBondContact OE1-OH 3.43Å; R806-Y816 PolarHBondContact NH2-OH 3.23Å; F807-Y816 HydrophobicContact CD1-CG 4.49Å; F807-Y816 AromaticContact CE1-CD1 3.85Å; F807-Y816 HydrophobicContact CE1-CD1 3.85Å; F807-Y816 AromaticContact CE1-CD2 3.57Å; F807-Y816 HydrophobicContact CE1-CD2 3.57Å; F807-Y816 HydrophobicContact CE1-CE1 4.49Å; F807-Y816 HydrophobicContact CE1-CE2 4.22Å; F807-Y816 AromaticContact CE1-CG 3.36Å; F807-Y816 HydrophobicContact CE1-CG 3.36Å; F807-Y816 AromaticContact CZ-CD1 3.46Å; F807-Y816 HydrophobicContact CZ-CD1 3.46Å; F807-Y816 VanDerWaalsContact CZ-CD1 3.46Å; F807-Y816 HydrophobicContact CZ-CD2 4.01Å; F807-Y816 AromaticContact CZ-CE1 3.95Å; F807-Y816 HydrophobicContact CZ-CE1 3.95Å; F807-Y816 HydrophobicContact CZ-CE2 4.41Å; F807-Y816 AromaticContact CZ-CG 3.52Å; F807-Y816 HydrophobicContact CZ-CG 3.52Å; C812-Y816 VanDerWaalsContact O-CB 3.27Å; C812-Y816 WeakPolarHBondContact O-CB 3.39Å; C812-Y816 PolarHBondContact O-N 3.49Å; Y816-V818 VanDerWaalsContact C-N 3.29Å; Y816-V818 PolarHBondContact O-N 3.2Å; Y816-S819 PolarHBondContact O-N 3.38Å; Y816-C820 HydrophobicContact CE1-CB 4.34Å; Y816-C820 WeakPolarHBondContact CE1-SG 3.4Å; Y816-C820 PolarHBondContact O-N 3.26Å; Y816-C820 PolarHBondContact OH-SG 3.28Å; Y816-C820 VanDerWaalsContact OH-SG 3.36Å
817N81.3Confident76.5Confident119 Ų11984.8 Ų84.864%0.63642%0.424SS*.Hα-helixtrans-59.2-40.9178.3-173.4-89.3000112A813 K814 R815 S821A813-N817 PolarHBondContact O-N 3Å; A813-N817 VanDerWaalsContact O-N 3.09Å; K814-N817 PolarHBondContact O-N 3.41Å; R815-N817 VanDerWaalsContact C-N 3.33Å; R815-N817 PolarHBondContact O-N 3.02Å; N817-S821 WeakPolarHBondContact O-CB 3.5Å; N817-S821 PolarHBondContact O-N 3.35Å
818V72.4Confident75.2Confident93 Ų9393.6 Ų93.656%0.56446%0.457SS*.Hα-helixtrans-66.9-44.8174.1178.30000111.5K814 R815 Y816 S821 H822K814-V818 PolarHBondContact O-N 3.47Å; R815-V818 PolarHBondContact O-N 3.44Å; R815-V818 VanDerWaalsContact O-N 3.15Å; Y816-V818 VanDerWaalsContact C-N 3.29Å; Y816-V818 PolarHBondContact O-N 3.2Å; V818-S821 WeakPolarHBondContact O-CB 3.44Å; V818-S821 PolarHBondContact O-N 2.94Å; V818-H822 PolarHBondContact O-N 2.79Å
819S68.6Low73.9Confident59 Ų5999.3 Ų99.341%0.41348%0.478SS..Hα-helixtrans-62-44.1178.2-62.40000112.7R815 Y816 H822 Q823R815-S819 PolarHBondContact O-N 3.48Å; R815-S819 PolarHBondContact O-OG 2.95Å; Y816-S819 PolarHBondContact O-N 3.38Å; S819-H822 WeakPolarHBondContact O-CB 3.46Å; S819-H822 PolarHBondContact O-N 3.3Å; S819-H822 VanDerWaalsContact O-N 3.13Å; S819-Q823 PolarHBondContact O-N 3.48Å
820C60.7Low72.9Confident22 Ų22104.3 Ų104.315%0.14949%0.494CS..Hα-helixtrans-66.3-36.3173.4-760000112.3Y816 H822 Q823 F824Y816-C820 HydrophobicContact CE1-CB 4.34Å; Y816-C820 WeakPolarHBondContact CE1-SG 3.4Å; Y816-C820 PolarHBondContact O-N 3.26Å; Y816-C820 PolarHBondContact OH-SG 3.28Å; Y816-C820 VanDerWaalsContact OH-SG 3.36Å; C820-H822 PolarHBondContact O-N 3.36Å; C820-Q823 PolarHBondContact O-N 3.34Å; C820-F824 WeakPolarHBondContact O-CB 3.28Å; C820-F824 WeakPolarHBondContact O-CD2 3.49Å; C820-F824 PolarHBondContact O-N 3.31Å
821S63.6Low71.9Confident47 Ų47104.7 Ų104.733%0.32950%0.496SS..Hα-helixtrans-60-33.3171.9-165.40000111.8N817 V818 R825N817-S821 WeakPolarHBondContact O-CB 3.5Å; N817-S821 PolarHBondContact O-N 3.35Å; V818-S821 WeakPolarHBondContact O-CB 3.44Å; V818-S821 PolarHBondContact O-N 2.94Å; S821-R825 WeakPolarHBondContact O-CD 3.33Å; S821-R825 WeakPolarHBondContact O-CG 3.5Å; S821-R825 PolarHBondContact O-N 3.42Å; S821-R825 PolarHBondContact O-NE 3.24Å; S821-R825 PolarHBondContact OG-NE 3.02Å; S821-R825 PolarHBondContact OG-NH2 3.02Å
822H61.6Low70.7Confident112 Ų112107.2 Ų107.252%0.51950%0.5SS..Hα-helixtrans-70.3-49.2172.1-166.6-118.4000111.9V818 S819 C820 F824 R825 L826V818-H822 PolarHBondContact O-N 2.79Å; S819-H822 WeakPolarHBondContact O-CB 3.46Å; S819-H822 PolarHBondContact O-N 3.3Å; S819-H822 VanDerWaalsContact O-N 3.13Å; C820-H822 PolarHBondContact O-N 3.36Å; H822-F824 PolarHBondContact O-N 3.43Å; H822-R825 WeakPolarHBondContact O-CB 3.47Å; H822-R825 PolarHBondContact O-N 3.49Å; H822-R825 VanDerWaalsContact O-N 3.1Å; H822-L826 PolarHBondContact O-N 3.1Å
823Q65.1Low69.3Low116 Ų116112.6 Ų112.654%0.54252%0.524SS..Hα-helixtrans-60.4-40.6-179.4-163.9179.722.700112.7S819 C820 L826 Q827S819-Q823 PolarHBondContact O-N 3.48Å; C820-Q823 PolarHBondContact O-N 3.34Å; Q823-L826 PolarHBondContact O-N 2.94Å; Q823-Q827 PolarHBondContact O-N 3.26Å
824F55Low67.5Low142 Ų142118 Ų11862%0.62354%0.543SS*.Hα-helixtrans-68-33.9174.4-90.9-80.6000113.1C820 H822 R828C820-F824 WeakPolarHBondContact O-CB 3.28Å; C820-F824 WeakPolarHBondContact O-CD2 3.49Å; C820-F824 PolarHBondContact O-N 3.31Å; H822-F824 PolarHBondContact O-N 3.43Å; F824-R828 WeakPolarHBondContact O-CB 3.29Å; F824-R828 PolarHBondContact O-N 3.45Å
825R65.8Low66.2Low170 Ų170117.2 Ų117.264%0.64254%0.541SS*.Hα-helixtrans-66.2-41.6171.3-72.5171-145.3-149.73.4111.2S821 H822 R828 K829S821-R825 WeakPolarHBondContact O-CD 3.33Å; S821-R825 WeakPolarHBondContact O-CG 3.5Å; S821-R825 PolarHBondContact O-N 3.42Å; S821-R825 PolarHBondContact O-NE 3.24Å; S821-R825 PolarHBondContact OG-NE 3.02Å; S821-R825 PolarHBondContact OG-NH2 3.02Å; H822-R825 WeakPolarHBondContact O-CB 3.47Å; H822-R825 PolarHBondContact O-N 3.49Å; H822-R825 VanDerWaalsContact O-N 3.1Å; R825-R828 PolarHBondContact O-N 3.28Å; R825-K829 PolarHBondContact O-N 2.92Å
826L63.7Low64.7Low100 Ų100116.8 Ų116.852%0.52455%0.545SS..Hα-helixtrans-66.9-41.4178.2-137.870.5000111.6H822 Q823 K829 K830H822-L826 PolarHBondContact O-N 3.1Å; Q823-L826 PolarHBondContact O-N 2.94Å; L826-K829 PolarHBondContact O-N 3.13Å; L826-K830 WeakPolarHBondContact O-CB 3.5Å; L826-K830 PolarHBondContact O-N 3.47Å
827Q59.3Low63.4Low117 Ų117116.6 Ų116.655%0.54755%0.554SS.*Hα-helixtrans-62-42.2169.8-81.4-168.7-12.900112.2Q823 K829 K830 M831Q823-Q827 PolarHBondContact O-N 3.26Å; Q827-K829 VanDerWaalsContact C-N 3.35Å; Q827-K829 PolarHBondContact O-N 2.94Å; Q827-K830 PolarHBondContact O-N 2.99Å; Q827-M831 WeakPolarHBondContact O-CB 3.5Å; Q827-M831 PolarHBondContact O-N 3.46Å
828R64.2Low62.2Low204 Ų204115 Ų11577%0.7755%0.546SS*.Hα-helixtrans-63.1-38.9175.5-177.9178.2-80.6-175.6-5.2111.9F824 R825 K832F824-R828 WeakPolarHBondContact O-CB 3.29Å; F824-R828 PolarHBondContact O-N 3.45Å; R825-R828 PolarHBondContact O-N 3.28Å; R828-K832 WeakPolarHBondContact O-CB 3.27Å; R828-K832 PolarHBondContact O-N 2.88Å
829K66.3Low61.3Low150 Ų150119.1 Ų119.165%0.65255%0.553SS**Hα-helixtrans-61.5-50.7172.9-169178.6178.7-175.80110.4R825 L826 Q827 M831 K832 E833R825-K829 PolarHBondContact O-N 2.92Å; L826-K829 PolarHBondContact O-N 3.13Å; Q827-K829 VanDerWaalsContact C-N 3.35Å; Q827-K829 PolarHBondContact O-N 2.94Å; K829-M831 PolarHBondContact O-N 2.93Å; K829-K832 PolarHBondContact O-N 2.89Å; K829-E833 WeakPolarHBondContact O-CB 3.36Å; K829-E833 PolarHBondContact O-N 3.28Å
830K68.2Low60.6Low150 Ų150119 Ų11965%0.65256%0.555SS**Hα-helixtrans-62.6-37.8178.5-171.2169-176.1171.80113.4L826 Q827 F834L826-K830 WeakPolarHBondContact O-CB 3.5Å; L826-K830 PolarHBondContact O-N 3.47Å; Q827-K830 PolarHBondContact O-N 2.99Å; K830-F834 WeakPolarHBondContact O-CB 3.49Å; K830-F834 PolarHBondContact O-N 3.2Å
831M63.5Low60.2Low133 Ų133125.7 Ų125.766%0.65558%0.577SS**Hα-helixtrans-65.5-44.6173.1-104.9-160.576.500111.9Q827 K829 F834 Q835Q827-M831 WeakPolarHBondContact O-CB 3.5Å; Q827-M831 PolarHBondContact O-N 3.46Å; K829-M831 PolarHBondContact O-N 2.93Å; M831-F834 PolarHBondContact O-N 3.33Å; M831-Q835 WeakPolarHBondContact O-CB 3.32Å; M831-Q835 PolarHBondContact O-N 3.12Å
832K66.9Low59.7Low139 Ų139129 Ų12960%0.60460%0.595SS**Hα-helixtrans-60.2-47.9177.4-172.5-174.4174.8-168.30110.5R828 K829 F834 Q835 E836R828-K832 WeakPolarHBondContact O-CB 3.27Å; R828-K832 PolarHBondContact O-N 2.88Å; K829-K832 PolarHBondContact O-N 2.89Å; K832-F834 PolarHBondContact O-N 3.09Å; K832-Q835 WeakPolarHBondContact O-CB 3.45Å; K832-Q835 PolarHBondContact O-N 3.06Å; K832-Q835 VanDerWaalsContact O-N 3.16Å; K832-E836 PolarHBondContact O-N 3.1Å
833E61.9Low59.2Low125 Ų125134.1 Ų134.158%0.58461%0.61SS**Hα-helixtrans-59.3-44.1177.2-172.1178.7169.900112.4K829 Q835 E836 A837K829-E833 WeakPolarHBondContact O-CB 3.36Å; K829-E833 PolarHBondContact O-N 3.28Å; E833-Q835 VanDerWaalsContact C-N 3.32Å; E833-Q835 PolarHBondContact O-N 2.92Å; E833-E836 PolarHBondContact O-N 3.3Å; E833-A837 WeakPolarHBondContact O-CB 3.35Å; E833-A837 PolarHBondContact O-N 3.36Å
834F51.2Low58.4Low139 Ų139139 Ų13961%0.6162%0.623SS**Hα-helixtrans-66.6-33.6175.8-152.9-95.1000112.5K830 M831 K832 N838K830-F834 WeakPolarHBondContact O-CB 3.49Å; K830-F834 PolarHBondContact O-N 3.2Å; M831-F834 PolarHBondContact O-N 3.33Å; K832-F834 PolarHBondContact O-N 3.09Å; F834-N838 WeakPolarHBondContact O-CB 3.25Å; F834-N838 PolarHBondContact O-N 3.25Å
835Q60.9Low58.2Low136 Ų136143.9 Ų143.964%0.63664%0.637SS**Hα-helixtrans-71.4-38.5175.1-1691573100111.9M831 K832 E833 N838 Y839M831-Q835 WeakPolarHBondContact O-CB 3.32Å; M831-Q835 PolarHBondContact O-N 3.12Å; K832-Q835 WeakPolarHBondContact O-CB 3.45Å; K832-Q835 PolarHBondContact O-N 3.06Å; K832-Q835 VanDerWaalsContact O-N 3.16Å; E833-Q835 VanDerWaalsContact C-N 3.32Å; E833-Q835 PolarHBondContact O-N 2.92Å; Q835-N838 WeakPolarHBondContact O-CB 3.4Å; Q835-N838 PolarHBondContact O-N 3.11Å; Q835-Y839 PolarHBondContact O-N 3.23Å
836E53.7Low57Low126 Ų126139 Ų13959%0.58964%0.641SS**Hα-helixtrans-64.8-44173.9-135.3163.3125.400111.2K832 E833 N838 Y839 A840K832-E836 PolarHBondContact O-N 3.1Å; E833-E836 PolarHBondContact O-N 3.3Å; E836-N838 VanDerWaalsContact C-N 3.26Å; E836-N838 PolarHBondContact O-N 3.11Å; E836-Y839 WeakPolarHBondContact O-CB 3.3Å; E836-Y839 PolarHBondContact O-N 2.97Å; E836-A840 PolarHBondContact O-N 3.48Å
837A58Low56.2Low49 Ų49141 Ų14141%0.40566%0.659SS.*Hα-helixtrans-63.1-29.2172.900000113.3E833 R841E833-A837 WeakPolarHBondContact O-CB 3.35Å; E833-A837 PolarHBondContact O-N 3.36Å; A837-R841 PolarHBondContact O-N 2.95Å
838N56Low55.8Low86 Ų86147 Ų14746%0.4668%0.677SS.*Hα-helixtrans-73.8-42.2174.2-1482000111.1F834 Q835 E836 A840 R841 V842F834-N838 WeakPolarHBondContact O-CB 3.25Å; F834-N838 PolarHBondContact O-N 3.25Å; Q835-N838 WeakPolarHBondContact O-CB 3.4Å; Q835-N838 PolarHBondContact O-N 3.11Å; E836-N838 VanDerWaalsContact C-N 3.26Å; E836-N838 PolarHBondContact O-N 3.11Å; N838-A840 VanDerWaalsContact C-N 3.27Å; N838-A840 PolarHBondContact O-N 2.92Å; N838-R841 PolarHBondContact O-N 3.02Å; N838-V842 PolarHBondContact O-N 2.8Å
839Y52.2Low54.6Low180 Ų180149.4 Ų149.471%0.70669%0.686SS**Hα-helixtrans-59-38.5173.5-143.6-109.5000111.9Q835 E836 R841 V842Q835-Y839 PolarHBondContact O-N 3.23Å; E836-Y839 WeakPolarHBondContact O-CB 3.3Å; E836-Y839 PolarHBondContact O-N 2.97Å; Y839-R841 VanDerWaalsContact C-N 3.34Å; Y839-R841 PolarHBondContact O-N 3.37Å; Y839-V842 PolarHBondContact O-N 3.07Å
840A54.9Low53.1Low55 Ų55147.5 Ų147.546%0.45569%0.691SS.*Hα-helixtrans-66.3-29.1174.300000113.9E836 N838E836-A840 PolarHBondContact O-N 3.48Å; N838-A840 VanDerWaalsContact C-N 3.27Å; N838-A840 PolarHBondContact O-N 2.92Å
841R53.2Low52.2Low163 Ų163146 Ų14662%0.61570%0.7SS**Hα-helixtrans-74.7-37.3175.4-86-165.8-85.7-173.4-6.6112.9A837 N838 Y839 R843 R844A837-R841 PolarHBondContact O-N 2.95Å; N838-R841 PolarHBondContact O-N 3.02Å; Y839-R841 VanDerWaalsContact C-N 3.34Å; Y839-R841 PolarHBondContact O-N 3.37Å; R841-R843 PolarHBondContact O-N 3.38Å; R841-R844 PolarHBondContact O-N 3.47Å; R841-R844 VanDerWaalsContact O-N 3.07Å
842V52.8Low51.6Low116 Ų116143.8 Ų143.870%0.70370%0.698SS**Hα-helixtrans-59.1-34.4178.3176.20000112N838 Y839 R844N838-V842 PolarHBondContact O-N 2.8Å; Y839-V842 PolarHBondContact O-N 3.07Å; V842-R844 PolarHBondContact O-N 3.19Å
843R49.9Very low50.3Low220 Ų220145.1 Ų145.183%0.8371%0.706SS**THydrogen-bonded Turntrans-67.9-9.2176.9-74.7-77.3-174.8144.11115.2R841R841-R843 PolarHBondContact O-N 3.38Å
844R49.3Very low49.6Very low218 Ų218146.7 Ų146.782%0.82372%0.717SS**THydrogen-bonded Turntrans-101.825.6-173.8-60.4-160.3-168.1-1587.3115.8R841 V842R841-R844 PolarHBondContact O-N 3.47Å; R841-R844 VanDerWaalsContact O-N 3.07Å; V842-R844 PolarHBondContact O-N 3.19Å
845R50.3Low49.3Very low245 Ų245144 Ų14493%0.92572%0.72SS**  trans-125.898.2166.7-74.9-170.6174.2-172.5-0.7111.6
846G39.6Very low48.6Very low69 Ų69148.3 Ų148.371%0.71173%0.731SS**  trans-152.5154.4171.200000111.4
847P47.6Very low48.2Very low140 Ų140147 Ų14791%0.90974%0.741SS**  trans-81.3158.7-160.3-17.134.2000116.7
848R51.5Low47.8Very low245 Ų245153.7 Ų153.793%0.92576%0.761SS**  trans-84.9135-177.4-69.4-140.2-75.2-159.9-3.6115.1
849R38.5Very low47.5Very low253 Ų253156.5 Ų156.596%0.95578%0.775SS**  trans-157.7152.3148.7-67.9-165.3174.4147.30107.5
850S35.4Very low46.9Very low110 Ų110157.6 Ų157.677%0.76979%0.786SS**  cis-147.8162.7-19.1-166.20000108.3S852S850-S852 PolarHBondContact O-N 3.07Å
851S48.5Very low45.9Very low119 Ų119158.5 Ų158.583%0.83280%0.801SS**SBendtrans-100.555.5-159.459.20000116.3
852S50.8Low45.1Very low87 Ų87159.7 Ų159.761%0.60881%0.811SS**  trans-124.9-23-174.6-54.10000116.9S850S850-S852 PolarHBondContact O-N 3.07Å
853E39.5Very low44Very low166 Ų166164.2 Ų164.278%0.77682%0.815SS**SBendtrans-69.9-40.1-173.3-135.269-151.900113.6A855 R856E853-A855 PolarHBondContact O-N 3.27Å; E853-A855 VanDerWaalsContact O-N 3.12Å; E853-R856 PolarHBondContact O-N 3.44Å
854I48.5Very low43.1Very low158 Ų158161.6 Ų161.681%0.8181%0.812SS**G310 helixtrans-65.3-23-166.5-63.5170.3000112.6R856I854-R856 VanDerWaalsContact C-N 3.28Å; I854-R856 PolarHBondContact O-N 2.98Å
855A43.4Very low42.2Very low83 Ų83162.3 Ų162.369%0.68682%0.815SS**G310 helixtrans-71.6-15.7-177.800000114.4E853E853-A855 PolarHBondContact O-N 3.27Å; E853-A855 VanDerWaalsContact O-N 3.12Å
856R46Very low41.2Very low227 Ų227154.1 Ų154.186%0.85781%0.806SS**G310 helixtrans-97.5-12.4-171-70.9-173.9169-171.4-4.6115.6E853 I854 K858E853-R856 PolarHBondContact O-N 3.44Å; I854-R856 VanDerWaalsContact C-N 3.28Å; I854-R856 PolarHBondContact O-N 2.98Å; R856-K858 PolarHBondContact O-N 2.89Å
857A46.3Very low40.6Very low97 Ų97160.2 Ų160.280%0.80282%0.816SS**SBendtrans-93.324.4-174.600000114.7
858K48.8Very low39.9Very low191 Ų191162.3 Ų162.383%0.8381%0.814SS**  trans-137.923.1-168.9-136.1177-174.7-178.50116.6R856R856-K858 PolarHBondContact O-N 2.89Å
859I51.3Low38.7Very low145 Ų145157.9 Ų157.974%0.74481%0.809SS**SBendtrans-131.778.2177.2-47-179000111.5
860Q38.4Very low38.6Very low202 Ų202150.4 Ų150.494%0.94480%0.795SS**  trans169.2133138.8-96.1166.993.100110.9
861G34.3Very low38.6Very low75 Ų75150.4 Ų150.477%0.77380%0.795SS**  trans-179.4132.2170.500000110.2
862K35.7Very low37.9Very low188 Ų188156.5 Ų156.582%0.81780%0.8SS**  trans-162.4100.6-178-151.8168-175.8-176.40115.2
863R30.7Very low36.8Very low211 Ų211155.5 Ų155.580%0.79680%0.803SS**  trans67.7169.6148-50.2-77.2-113.2-93.6-4.2115.1
864H30.2Very low36.6Very low165 Ų165153.6 Ų153.676%0.76481%0.808SS**  cis-132.3-151.514-145.6-94.9000114.4
865R31.9Very low35.8Very low233 Ų233153.5 Ų153.588%0.87981%0.809SS**  trans-142.5147.8-158.6-178.6-163.8-156.4-105.49110.8
866G28.3Very low35.3Very low72 Ų72156.9 Ų156.974%0.74282%0.816SS**  trans99.7165.3177.300000112.9
867Q27.5Very low34.9Very low197 Ų197150.9 Ų150.992%0.92181%0.809SS**  cis-153.3178.7-3.7-174.9162.2-20.200109.1
868E32.3Very low34.2Very low185 Ų185152.2 Ų152.286%0.86481%0.812SS**  trans-94.2173.7-167.7-60.2166.217200114.3
869D25.8Very low33.5Very low152 Ų152151 Ų15181%0.81380%0.803SS**  trans105.9138.6150.4-1460.3000121.4
870S36.1Very low32.9Very low95 Ų95150.5 Ų150.566%0.66480%0.803SS**  trans55.9107.8151.2-78.10000125.4
871S36.7Very low32.9Very low111 Ų111146.6 Ų146.678%0.77678%0.784SS**  65.5112.9103.6-161.60000122.1
872R32.9Very low32.9Very low247 Ų247147.4 Ų147.493%0.93278%0.784SS**  trans176.6135.4141.5-103163156.9171.1-6.6108.5
873G29.2Very low32.7Very low65 Ų65145.7 Ų145.767%0.6778%0.782SS**  cis116.6110.9-3.400000113
874S35Very low32.9Very low126 Ų126140.5 Ų140.588%0.88178%0.778SS**  trans171.1129.3142-75.80000111.8
875D32.1Very low34.1Very low157 Ų157138 Ų13884%0.8478%0.777SS**  trans-101.4156168.7-52.2-85.1000110.7
876N31.5Very low34Very low153 Ų153133 Ų13382%0.81877%0.773SS**  trans171.5120.3150.9-99.313.7000107.5
877S37.4Very low33.9Very low102 Ų102134.7 Ų134.771%0.71377%0.773SS**  cis86.3126.249.478.80000114.2
878S31.5Very low34.8Very low125 Ų125131.3 Ų131.387%0.87477%0.768SS**  trans-145.8147.6161.3-172.20000110
879Y34.1Very low34.6Very low164 Ų164125.7 Ų125.764%0.64376%0.759SS**  trans-89.1176.2-174.7-141.1-134.1000111E881Y879-E881 HydrophobicContact CD1-CB 4.02Å; Y879-E881 HydrophobicContact CE1-CB 3.57Å; Y879-E881 HydrophobicContact CE1-CG 4.14Å; Y879-E881 WeakPolarHBondContact CE1-OE1 3.46Å; Y879-E881 HydrophobicContact CE2-CB 4.49Å; Y879-E881 VanDerWaalsContact CZ-CD 3.47Å; Y879-E881 VanDerWaalsContact CZ-OE1 3.3Å; Y879-E881 PolarHBondContact OH-OE1 3.43Å; Y879-E881 PolarHBondContact OH-OE2 3.46Å; Y879-E881 VanDerWaalsContact OH-OE2 3.08Å
880D38.5Very low35.7Very low136 Ų136124 Ų12473%0.72776%0.757SS**  cis-169.4131.644.9-165.8-63.6000105.6
881E40Very low35.4Very low120 Ų120127.1 Ų127.156%0.56177%0.765SS**  cis91.9133.549.7-172.6154.292.600116.2Y879Y879-E881 HydrophobicContact CD1-CB 4.02Å; Y879-E881 HydrophobicContact CE1-CB 3.57Å; Y879-E881 HydrophobicContact CE1-CG 4.14Å; Y879-E881 WeakPolarHBondContact CE1-OE1 3.46Å; Y879-E881 HydrophobicContact CE2-CB 4.49Å; Y879-E881 VanDerWaalsContact CZ-CD 3.47Å; Y879-E881 VanDerWaalsContact CZ-OE1 3.3Å; Y879-E881 PolarHBondContact OH-OE1 3.43Å; Y879-E881 PolarHBondContact OH-OE2 3.46Å; Y879-E881 VanDerWaalsContact OH-OE2 3.08Å
882A33.2Very low35.1Very low92 Ų92126.7 Ų126.776%0.7676%0.762SS**  trans-161.184.3160.700000113.7
883L31.6Very low35Very low151 Ų151119 Ų11979%0.79175%0.751SS**  trans60.590.8143.8-48.9179.8000121.6
884S34.3Very low35.2Very low102 Ų102128 Ų12871%0.71377%0.765SS**  31167.7109.6-51.60000123.1
885P55.6Low34.8Very low113 Ų113126.7 Ų126.773%0.73476%0.762SS**  cis-130.3-178.3-46.634.3-14.3000112.2
886T30.3Very low34.8Very low129 Ų129124.5 Ų124.579%0.79176%0.759SS**  170.8155.684.6-47.60000110.7
887S27.1Very low35Very low107 Ų107126 Ų12675%0.74876%0.761SS**  trans-100-167.2177.3-36.50000112.7
888P45Very low34.8Very low126 Ų126123.9 Ų123.982%0.81876%0.755SS**  cis-131.7-164.6-14.137.6-16.2000114.2
889G28.5Very low34.7Very low66 Ų66125.1 Ų125.168%0.6875%0.747SS**  trans-85.4-149175.600000115.1
890P49.3Very low35Very low116 Ų116125.5 Ų125.575%0.75375%0.747SS**  cis-148.4-172.312.741-18.3000118.2
891L30.2Very low34.6Very low161 Ų161124.4 Ų124.484%0.84374%0.741SS**  trans68.4157.1163.1-52.8-177.7000118
892S29.4Very low34.5Very low103 Ų103125.5 Ų125.572%0.7275%0.751SS**  cis-178.8170-20.6-91.10000108.9
893A31.6Very low34.4Very low84 Ų84125.8 Ų125.869%0.69475%0.747SS**  cis-176.6177.7-2700000109.7
894R32.6Very low34.5Very low254 Ų254126 Ų12696%0.95875%0.749SS**  trans79.8152.8178.8-52.4179.9172.3-173.5-3.3115
895A27.6Very low34.4Very low100 Ų100125.9 Ų125.983%0.82675%0.748SS**  cis-140.9-1758.900000113.4
896S31.4Very low33.3Very low111 Ų111126 Ų12678%0.77675%0.751SS**  trans-160.8179.6179.2-147.90000109.6
897H36.1Very low33.7Very low185 Ų185128.7 Ų128.786%0.85676%0.757SS**  cis-160.9166.315.3-176.3-103000111.7
898G32.1Very low34.3Very low57 Ų57127.6 Ų127.659%0.58876%0.755SS**  trans117.8154.2171.900000113.4
899E29.9Very low34Very low151 Ų151126.9 Ų126.971%0.70675%0.75SS**  cis-153.4-174.1-4-126.2-95.580.100107.2
900R41.8Very low34.4Very low171 Ų171129.7 Ų129.765%0.64576%0.756SS**  trans-73.8-179.2-178-44.3144.7-69.31066.9112.8
901D28.8Very low33.8Very low113 Ų113130 Ų13060%0.60476%0.757SS**  cis-160.2-17319.9-124.4-49.5000108
902L38Very low34.4Very low144 Ų144126.7 Ų126.775%0.75474%0.744SS**  cis-160.9-179.710.4-133.3-173000111
903S30.9Very low34.8Very low97 Ų97129.6 Ų129.668%0.67875%0.752SS**  trans6892.6148.668.80000123.3
904N34.5Very low35.5Very low156 Ų156131 Ų13183%0.83475%0.747SS**  85.9152.5127.9-157.336.1000122
905S30.7Very low36.7Very low99 Ų99121.9 Ų121.969%0.69272%0.715SS**  trans63.293.4178.7-67.20000115.8
906S34.3Very low38.3Very low116 Ų116119.9 Ų119.981%0.81170%0.704SS**  69.480.257.4-168.20000114.9
907M38.9Very low39.9Very low185 Ų185115.1 Ų115.191%0.91167%0.67SS**  trans-155.254.7155.3-112.9-61.9169.900111.5
908A38.5Very low41.7Very low84 Ų84110 Ų11069%0.69465%0.649SS**  trans-93.4139.9159.600000108.3
909P39.2Very low43.4Very low111 Ų111111.7 Ų111.772%0.72165%0.65SS**  trans-63.5143.6175.828.2-34.3000109.6T911P909-T911 PolarHBondContact O-N 2.94Å
910P35.9Very low45.4Very low125 Ų125108.9 Ų108.981%0.81264%0.643SS**  trans-63.7111.2172.927.1-32.7000108.4
911T38Very low47.1Very low124 Ų124101.7 Ų101.776%0.76162%0.616SS**  trans-52.2132.3161.247.20000107.4P909P909-T911 PolarHBondContact O-N 2.94Å
912P42.8Very low49.2Very low90 Ų9099.7 Ų99.758%0.58461%0.605SS**  trans-55.1153.717719.8-28.5000110.2L914P912-L914 HydrophobicContact CB-CG 4.32Å; P912-L914 HydrophobicContact CG-CD1 3.94Å; P912-L914 HydrophobicContact CG-CG 3.96Å; P912-L914 WeakPolarHBondContact O-CB 3.41Å; P912-L914 WeakPolarHBondContact O-CG 3.48Å; P912-L914 PolarHBondContact O-N 3.03Å
913D37.3Very low50.8Low164 Ų16497.3 Ų97.388%0.87760%0.6SS**  trans-66.669.2-177.3-170.31.5000110.9H915D913-H915 PolarHBondContact O-N 3.43Å
914L45.5Very low53.2Low113 Ų11395 Ų9559%0.59258%0.584SS**  trans-82.493-167.4-82.8174.4000108.8P912P912-L914 HydrophobicContact CB-CG 4.32Å; P912-L914 HydrophobicContact CG-CD1 3.94Å; P912-L914 HydrophobicContact CG-CG 3.96Å; P912-L914 WeakPolarHBondContact O-CB 3.41Å; P912-L914 WeakPolarHBondContact O-CG 3.48Å; P912-L914 PolarHBondContact O-N 3.03Å
915H58.1Low55.7Low64 Ų6491.9 Ų91.930%0.29657%0.567SS.*  trans85.494.7162.6-34.2117.3000114.2D913 I917 K986 V989D913-H915 PolarHBondContact O-N 3.43Å; H915-I917 HydrophobicContact CB-CB 4.49Å; H915-I917 HydrophobicContact CB-CD1 3.94Å; H915-I917 HydrophobicContact CB-CG1 4.06Å; H915-I917 PolarHBondContact O-N 2.93Å; H915-K986 VanDerWaalsContact CA-NZ 3.34Å; H915-V989 WeakPolarHBondContact ND1-CG1 3.22Å; H915-V989 VanDerWaalsContact NE2-CG2 3.27Å; H915-V989 WeakPolarHBondContact NE2-CG2 3.27Å
916G60.9Low58.6Low58 Ų5887.8 Ų87.860%0.59854%0.538SS*.  trans-60.574.1146.800000111.3K986G916-K986 VanDerWaalsContact C-NZ 3.28Å; G916-K986 VanDerWaalsContact O-CE 3.26Å; G916-K986 WeakPolarHBondContact O-CE 3.45Å; G916-K986 PolarHBondContact O-NZ 3.1Å
917I66.5Low61.4Low11 Ų1185 Ų856%0.05652%0.519CS..SBendtrans-118.8142.2158.7-64.7168.3000102.6H915 F921 L922 F937 L941 K986 V989H915-I917 HydrophobicContact CB-CB 4.49Å; H915-I917 HydrophobicContact CB-CD1 3.94Å; H915-I917 HydrophobicContact CB-CG1 4.06Å; H915-I917 PolarHBondContact O-N 2.93Å; I917-F921 HydrophobicContact CG2-CB 4.02Å; I917-F921 HydrophobicContact CG2-CD2 4.28Å; I917-L922 HydrophobicContact CD1-CD2 4.08Å; I917-L922 HydrophobicContact CG2-CD2 4.18Å; I917-L922 HydrophobicContact CG2-CG 4.26Å; I917-F937 HydrophobicContact CD1-CE2 4.3Å; I917-F937 HydrophobicContact CG1-CE2 4.09Å; I917-F937 HydrophobicContact CG2-CD2 4.09Å; I917-F937 HydrophobicContact CG2-CE2 3.76Å; I917-L941 HydrophobicContact CG1-CD2 4.31Å; I917-K986 HydrophobicContact CD1-CB 4.29Å; I917-K986 HydrophobicContact CD1-CD 3.97Å; I917-K986 HydrophobicContact CG1-CB 4.48Å; I917-K986 HydrophobicContact CG1-CD 3.76Å; I917-K986 HydrophobicContact CG1-CG 4.28Å; I917-V989 HydrophobicContact CD1-CG1 4.15Å
918N72.4Confident64Low78 Ų7885.5 Ų85.542%0.41751%0.511SS..  trans-66.2127.1173.7-176.7-28.3000109.4V920 F921N918-V920 PolarHBondContact O-N 2.83Å; N918-V920 WeakPolarHBondContact OD1-CG2 3.06Å; N918-V920 PolarHBondContact OD1-N 3.41Å; N918-F921 HydrophobicContact CB-CD2 3.79Å; N918-F921 HydrophobicContact CB-CE2 3.87Å; N918-F921 WeakPolarHBondContact O-CD2 3.46Å; N918-F921 PolarHBondContact O-N 3.19Å
919P68.5Low66.7Low92 Ų9281.8 Ų81.860%0.59748%0.479SS*.Hα-helixtrans-56.9-22.1-175.421.1-34.3000114.6F921 L922 S923P919-F921 PolarHBondContact O-N 3.49Å; P919-L922 PolarHBondContact O-N 2.77Å; P919-S923 PolarHBondContact O-N 2.91Å
920V71.9Confident69.4Low92 Ų9279 Ų7956%0.55846%0.462SS*.Hα-helixtrans-55.8-33.2172.6175.40000112.6N918 S923 S924N918-V920 PolarHBondContact O-N 2.83Å; N918-V920 WeakPolarHBondContact OD1-CG2 3.06Å; N918-V920 PolarHBondContact OD1-N 3.41Å; V920-S923 PolarHBondContact O-OG 3.49Å; V920-S924 PolarHBondContact O-OG 2.96Å
921F77.6Confident72.3Confident20 Ų2074.7 Ų74.79%0.08843%0.433CS..Hα-helixtrans-74.2-36.7175.3-63-65.2000111.9I917 N918 P919 S923 S924 W929 E936 F937I917-F921 HydrophobicContact CG2-CB 4.02Å; I917-F921 HydrophobicContact CG2-CD2 4.28Å; N918-F921 HydrophobicContact CB-CD2 3.79Å; N918-F921 HydrophobicContact CB-CE2 3.87Å; N918-F921 WeakPolarHBondContact O-CD2 3.46Å; N918-F921 PolarHBondContact O-N 3.19Å; P919-F921 PolarHBondContact O-N 3.49Å; F921-S923 PolarHBondContact O-N 3.38Å; F921-S924 PolarHBondContact O-N 3.38Å; F921-S924 VanDerWaalsContact O-O 3.14Å; F921-W929 HydrophobicContact CB-CH2 3.81Å; F921-W929 HydrophobicContact CB-CZ2 3.76Å; F921-W929 HydrophobicContact CD1-CH2 4.23Å; F921-W929 HydrophobicContact CD1-CZ2 4.19Å; F921-W929 HydrophobicContact CG-CH2 4.3Å; F921-W929 HydrophobicContact CG-CZ2 4.42Å; F921-W929 WeakPolarHBondContact O-CZ2 3.37Å; F921-E936 HydrophobicContact CE1-CB 4.45Å; F921-E936 HydrophobicContact CZ-CB 4Å; F921-F937 HydrophobicContact CB-CD2 4.3Å; F921-F937 HydrophobicContact CD1-CB 4.04Å; F921-F937 HydrophobicContact CD2-CB 4.38Å; F921-F937 HydrophobicContact CD2-CD2 4.06Å; F921-F937 HydrophobicContact CE1-CB 3.91Å; F921-F937 HydrophobicContact CE2-CB 4.27Å; F921-F937 HydrophobicContact CG-CB 4.29Å; F921-F937 HydrophobicContact CG-CD2 4.05Å; F921-F937 HydrophobicContact CZ-CB 4.05Å
922L73.3Confident75.1Confident71 Ų7173.1 Ų73.137%0.37242%0.417SS..Hα-helixtrans-68.8-20.5-179.1-59178.4000113.2I917 P919 S924 L990I917-L922 HydrophobicContact CD1-CD2 4.08Å; I917-L922 HydrophobicContact CG2-CD2 4.18Å; I917-L922 HydrophobicContact CG2-CG 4.26Å; P919-L922 PolarHBondContact O-N 2.77Å; L922-S924 VanDerWaalsContact C-N 3.35Å; L922-L990 HydrophobicContact CD2-CD2 4.04Å
923S70.1Confident77.6Confident94 Ų9472.3 Ų72.366%0.65741%0.406SS*.THydrogen-bonded Turntrans-79.9-9.9170.9410000114.8P919 V920 F921P919-S923 PolarHBondContact O-N 2.91Å; V920-S923 PolarHBondContact O-OG 3.49Å; F921-S923 PolarHBondContact O-N 3.38Å
924S81.6Confident80.4Confident48 Ų4864.5 Ų64.534%0.33636%0.364SS..SBendtrans-117.7125.4-168.8-62.60000111V920 F921 L922 P926 W929V920-S924 PolarHBondContact O-OG 2.96Å; F921-S924 PolarHBondContact O-N 3.38Å; F921-S924 VanDerWaalsContact O-O 3.14Å; L922-S924 VanDerWaalsContact C-N 3.35Å; S924-P926 VanDerWaalsContact O-CD 3.3Å; S924-P926 WeakPolarHBondContact O-CD 3.09Å; S924-P926 VanDerWaalsContact O-N 3.08Å; S924-W929 PolarHBondContact O-NE1 2.89Å; S924-W929 VanDerWaalsContact O-NE1 3.09Å
925N88.5Confident82.8Confident91 Ų9159.3 Ų59.349%0.48734%0.337SS..  trans-55.1112.3-177-79.6-141000111.1S927 R928N925-S927 PolarHBondContact O-N 3.14Å; N925-S927 VanDerWaalsContact O-N 3.17Å; N925-R928 HydrophobicContact CB-CG 4.24Å; N925-R928 PolarHBondContact O-N 3.29Å
926P90.9Very high84.5Confident12 Ų1262.1 Ų62.18%0.07835%0.35CS..G310 helixtrans-66.8-23.1-171.223.9-31.9000113.4S924 R928 W929 G958 L962 L990S924-P926 VanDerWaalsContact O-CD 3.3Å; S924-P926 WeakPolarHBondContact O-CD 3.09Å; S924-P926 VanDerWaalsContact O-N 3.08Å; P926-R928 PolarHBondContact O-N 3.19Å; P926-R928 VanDerWaalsContact O-N 3.15Å; P926-W929 HydrophobicContact CB-CD2 4.2Å; P926-W929 HydrophobicContact CB-CE3 4.46Å; P926-W929 HydrophobicContact CB-CH2 4.16Å; P926-W929 HydrophobicContact CB-CZ2 3.86Å; P926-W929 HydrophobicContact CB-CZ3 4.45Å; P926-W929 PolarHBondContact O-N 3.38Å; P926-G958 CarbonylContact O-C 3.6Å; P926-G958 WeakPolarHBondContact O-CA 3.31Å; P926-L962 HydrophobicContact CB-CD1 4.2Å; P926-L962 HydrophobicContact CB-CD2 4.15Å; P926-L962 HydrophobicContact CB-CG 4.5Å; P926-L962 HydrophobicContact CG-CD1 4.27Å; P926-L962 HydrophobicContact CG-CD2 4.2Å; P926-L990 HydrophobicContact CB-CB 4.41Å; P926-L990 HydrophobicContact CG-CB 4.31Å; P926-L990 WeakPolarHBondContact CG-O 3.38Å
927S93.1Very high86.1Confident59 Ų5959.4 Ų59.441%0.41332%0.322SS..G310 helixtrans-67.2-5172.556.10000115N925 Q959N925-S927 PolarHBondContact O-N 3.14Å; N925-S927 VanDerWaalsContact O-N 3.17Å; S927-Q959 VanDerWaalsContact O-CG 3.28Å; S927-Q959 WeakPolarHBondContact O-CG 3.45Å
928R92.9Very high87.5Confident195 Ų19558.9 Ų58.974%0.73632%0.319SS*.G310 helixtrans-116.2-1.3177.9-53.4-168.9-157173.78.2114.5N925 P926 S930N925-R928 HydrophobicContact CB-CG 4.24Å; N925-R928 PolarHBondContact O-N 3.29Å; P926-R928 PolarHBondContact O-N 3.19Å; P926-R928 VanDerWaalsContact O-N 3.15Å; R928-S930 PolarHBondContact O-N 3.49Å
929W95.4Very high88.6Confident6 Ų656.6 Ų56.62%0.02331%0.311CS..  trans-64.7134.3-177.2-65.2-5.8000111.4F921 S924 P926 E933 V934 F937 G958 L961 L990F921-W929 HydrophobicContact CB-CH2 3.81Å; F921-W929 HydrophobicContact CB-CZ2 3.76Å; F921-W929 HydrophobicContact CD1-CH2 4.23Å; F921-W929 HydrophobicContact CD1-CZ2 4.19Å; F921-W929 HydrophobicContact CG-CH2 4.3Å; F921-W929 HydrophobicContact CG-CZ2 4.42Å; F921-W929 WeakPolarHBondContact O-CZ2 3.37Å; S924-W929 PolarHBondContact O-NE1 2.89Å; S924-W929 VanDerWaalsContact O-NE1 3.09Å; P926-W929 HydrophobicContact CB-CD2 4.2Å; P926-W929 HydrophobicContact CB-CE3 4.46Å; P926-W929 HydrophobicContact CB-CH2 4.16Å; P926-W929 HydrophobicContact CB-CZ2 3.86Å; P926-W929 HydrophobicContact CB-CZ3 4.45Å; P926-W929 PolarHBondContact O-N 3.38Å; W929-E933 HydrophobicContact CB-CB 3.85Å; W929-E933 HydrophobicContact CG-CB 4.13Å; W929-V934 HydrophobicContact CB-CG2 4.02Å; W929-V934 HydrophobicContact CE3-CG2 4.18Å; W929-F937 HydrophobicContact CE3-CB 4.38Å; W929-F937 HydrophobicContact CH2-CB 4.45Å; W929-F937 AromaticContact CH2-CD2 3.88Å; W929-F937 HydrophobicContact CH2-CD2 3.88Å; W929-F937 HydrophobicContact CH2-CE2 4.3Å; W929-F937 HydrophobicContact CH2-CG 4.09Å; W929-F937 HydrophobicContact CZ3-CB 3.81Å; W929-F937 AromaticContact CZ3-CD1 3.91Å; W929-F937 HydrophobicContact CZ3-CD1 3.91Å; W929-F937 AromaticContact CZ3-CD2 3.86Å; W929-F937 HydrophobicContact CZ3-CD2 3.86Å; W929-F937 HydrophobicContact CZ3-CE1 4.46Å; W929-F937 HydrophobicContact CZ3-CE2 4.41Å; W929-F937 AromaticContact CZ3-CG 3.58Å; W929-F937 HydrophobicContact CZ3-CG 3.58Å; W929-G958 PolarHBondContact O-N 2.97Å; W929-L961 HydrophobicContact CE3-CD2 3.91Å; W929-L961 HydrophobicContact CZ3-CD2 3.79Å; W929-L990 HydrophobicContact CH2-CD1 3.45Å; W929-L990 VanDerWaalsContact CH2-CD1 3.45Å; W929-L990 HydrophobicContact CH2-CD2 3.69Å; W929-L990 HydrophobicContact CH2-CG 4.23Å; W929-L990 HydrophobicContact CZ2-CD2 4.17Å; W929-L990 HydrophobicContact CZ3-CD1 3.66Å
930S96Very high89.7Confident52 Ų5254.5 Ų54.536%0.36430%0.299SS..  trans-67.7166.3166.461.90000112.1R928 E932 E933 V934R928-S930 PolarHBondContact O-N 3.49Å; S930-E932 PolarHBondContact O-N 2.94Å; S930-E933 VanDerWaalsContact CB-OE2 3.28Å; S930-E933 WeakPolarHBondContact CB-OE2 3.42Å; S930-E933 PolarHBondContact N-OE2 3.21Å; S930-E933 PolarHBondContact O-N 3.26Å; S930-E933 VanDerWaalsContact O-N 3.15Å; S930-E933 WeakPolarHBondContact OG-CG 3.34Å; S930-E933 PolarHBondContact OG-N 2.87Å; S930-E933 PolarHBondContact OG-OE2 3.48Å; S930-V934 WeakPolarHBondContact O-CG2 3.34Å; S930-V934 PolarHBondContact O-N 2.9Å
931V96.9Very high90.7Very high34 Ų3450.3 Ų50.321%0.20627%0.273CS..Hα-helixtrans-57.5-35.5174.5-1770000111.6S935 R952V931-S935 VanDerWaalsContact O-CB 3.31Å; V931-S935 WeakPolarHBondContact O-CB 3.39Å; V931-S935 PolarHBondContact O-N 3.49Å; V931-R952 HydrophobicContact CG1-CB 4.36Å; V931-R952 HydrophobicContact CG1-CG 4.27Å
932E96.5Very high91.2Very high91 Ų9157.1 Ų57.143%0.42531%0.305SS..Hα-helixtrans-61.9-51.3172.8-106.644.5-113.100112.3S930 V934 S935 E936 R952S930-E932 PolarHBondContact O-N 2.94Å; E932-V934 VanDerWaalsContact C-N 3.32Å; E932-V934 PolarHBondContact O-N 3.08Å; E932-S935 WeakPolarHBondContact O-CB 3.47Å; E932-S935 PolarHBondContact O-N 3.1Å; E932-S935 VanDerWaalsContact O-N 3.13Å; E932-E936 WeakPolarHBondContact O-CG 3.02Å; E932-E936 PolarHBondContact O-N 3.35Å; E932-R952 IonicContact OE1-CZ 2.61Å; E932-R952 IonicContact OE1-NE 3.79Å; E932-R952 PolarHBondContact OE1-NE 3.46Å; E932-R952 IonicContact OE1-NH2 3.2Å; E932-R952 PolarHBondContact OE1-NH2 3.01Å
933E95Very high91.9Very high73 Ų7357.1 Ų57.134%0.34132%0.323SS..Hα-helixtrans-63.4-37178.6-72.5160.7106.600112W929 S930 F937W929-E933 HydrophobicContact CB-CB 3.85Å; W929-E933 HydrophobicContact CG-CB 4.13Å; S930-E933 VanDerWaalsContact CB-OE2 3.28Å; S930-E933 WeakPolarHBondContact CB-OE2 3.42Å; S930-E933 PolarHBondContact N-OE2 3.21Å; S930-E933 PolarHBondContact O-N 3.26Å; S930-E933 VanDerWaalsContact O-N 3.15Å; S930-E933 WeakPolarHBondContact OG-CG 3.34Å; S930-E933 PolarHBondContact OG-N 2.87Å; S930-E933 PolarHBondContact OG-OE2 3.48Å; E933-F937 VanDerWaalsContact O-CB 3.27Å; E933-F937 WeakPolarHBondContact O-CB 3.4Å; E933-F937 PolarHBondContact O-N 3.43Å
934V96Very high92.9Very high0 Ų052.7 Ų52.70%029%0.292CS..Hα-helixtrans-64.4-43.9171.7172.20000111.3W929 S930 E932 F937 I938 F951 I956 L961W929-V934 HydrophobicContact CB-CG2 4.02Å; W929-V934 HydrophobicContact CE3-CG2 4.18Å; S930-V934 WeakPolarHBondContact O-CG2 3.34Å; S930-V934 PolarHBondContact O-N 2.9Å; E932-V934 VanDerWaalsContact C-N 3.32Å; E932-V934 PolarHBondContact O-N 3.08Å; V934-F937 PolarHBondContact O-N 3.15Å; V934-I938 HydrophobicContact CG1-CG1 4.5Å; V934-I938 WeakPolarHBondContact O-CG1 3.47Å; V934-I938 PolarHBondContact O-N 3.25Å; V934-F951 HydrophobicContact CG1-CD1 3.77Å; V934-I956 WeakPolarHBondContact CB-O 3.34Å; V934-I956 HydrophobicContact CG1-CG2 4.36Å; V934-I956 WeakPolarHBondContact CG1-O 3.47Å; V934-L961 HydrophobicContact CG1-CB 4.46Å; V934-L961 HydrophobicContact CG1-CD1 4.25Å; V934-L961 HydrophobicContact CG1-CD2 4.21Å; V934-L961 HydrophobicContact CG2-CB 4.35Å; V934-L961 HydrophobicContact CG2-CD2 4.09Å
935S96Very high93.4Very high5 Ų557.4 Ų57.44%0.03531%0.309CS..Hα-helixtrans-62.9-45.4177.4-166.70000111.1V931 E932 I938 A939 A948V931-S935 VanDerWaalsContact O-CB 3.31Å; V931-S935 WeakPolarHBondContact O-CB 3.39Å; V931-S935 PolarHBondContact O-N 3.49Å; E932-S935 WeakPolarHBondContact O-CB 3.47Å; E932-S935 PolarHBondContact O-N 3.1Å; E932-S935 VanDerWaalsContact O-N 3.13Å; S935-I938 PolarHBondContact O-N 2.93Å; S935-A939 VanDerWaalsContact O-CB 3.27Å; S935-A939 WeakPolarHBondContact O-CB 3.39Å; S935-A939 PolarHBondContact O-N 3.32Å; S935-A948 VanDerWaalsContact O-CB 3.29Å; S935-A948 WeakPolarHBondContact O-CB 3.45Å; S935-A948 PolarHBondContact OG-O 3.31Å
936E95.1Very high93.5Very high123 Ų12361.7 Ų61.758%0.57533%0.326SS*.Hα-helixtrans-64-40.1175.3-71.3-168.4176.300112.7F921 E932 A939 S940F921-E936 HydrophobicContact CE1-CB 4.45Å; F921-E936 HydrophobicContact CZ-CB 4Å; E932-E936 WeakPolarHBondContact O-CG 3.02Å; E932-E936 PolarHBondContact O-N 3.35Å; E936-A939 PolarHBondContact O-N 2.92Å; E936-S940 PolarHBondContact O-N 2.88Å
937F94.6Very high93.6Very high0 Ų062.2 Ų62.20%033%0.328CS..Hα-helixtrans-58-52.9172.8164.8-102.4000111I917 F921 W929 E933 V934 A939 S940 L941 L961 K986 L990I917-F937 HydrophobicContact CD1-CE2 4.3Å; I917-F937 HydrophobicContact CG1-CE2 4.09Å; I917-F937 HydrophobicContact CG2-CD2 4.09Å; I917-F937 HydrophobicContact CG2-CE2 3.76Å; F921-F937 HydrophobicContact CB-CD2 4.3Å; F921-F937 HydrophobicContact CD1-CB 4.04Å; F921-F937 HydrophobicContact CD2-CB 4.38Å; F921-F937 HydrophobicContact CD2-CD2 4.06Å; F921-F937 HydrophobicContact CE1-CB 3.91Å; F921-F937 HydrophobicContact CE2-CB 4.27Å; F921-F937 HydrophobicContact CG-CB 4.29Å; F921-F937 HydrophobicContact CG-CD2 4.05Å; F921-F937 HydrophobicContact CZ-CB 4.05Å; W929-F937 HydrophobicContact CE3-CB 4.38Å; W929-F937 HydrophobicContact CH2-CB 4.45Å; W929-F937 AromaticContact CH2-CD2 3.88Å; W929-F937 HydrophobicContact CH2-CD2 3.88Å; W929-F937 HydrophobicContact CH2-CE2 4.3Å; W929-F937 HydrophobicContact CH2-CG 4.09Å; W929-F937 HydrophobicContact CZ3-CB 3.81Å; W929-F937 AromaticContact CZ3-CD1 3.91Å; W929-F937 HydrophobicContact CZ3-CD1 3.91Å; W929-F937 AromaticContact CZ3-CD2 3.86Å; W929-F937 HydrophobicContact CZ3-CD2 3.86Å; W929-F937 HydrophobicContact CZ3-CE1 4.46Å; W929-F937 HydrophobicContact CZ3-CE2 4.41Å; W929-F937 AromaticContact CZ3-CG 3.58Å; W929-F937 HydrophobicContact CZ3-CG 3.58Å; E933-F937 VanDerWaalsContact O-CB 3.27Å; E933-F937 WeakPolarHBondContact O-CB 3.4Å; E933-F937 PolarHBondContact O-N 3.43Å; V934-F937 PolarHBondContact O-N 3.15Å; F937-A939 VanDerWaalsContact C-N 3.28Å; F937-A939 PolarHBondContact O-N 3.5Å; F937-S940 WeakPolarHBondContact O-CB 3.39Å; F937-S940 PolarHBondContact O-N 2.98Å; F937-S940 VanDerWaalsContact O-N 3.13Å; F937-S940 PolarHBondContact O-OG 2.92Å; F937-L941 HydrophobicContact CE1-CD1 4.2Å; F937-L941 HydrophobicContact CE2-CD2 4.25Å; F937-L941 HydrophobicContact CZ-CD1 4.19Å; F937-L941 HydrophobicContact CZ-CD2 4.37Å; F937-L941 WeakPolarHBondContact O-CG 3.46Å; F937-L941 PolarHBondContact O-N 3.43Å; F937-L961 HydrophobicContact CD1-CD2 4.06Å; F937-L961 HydrophobicContact CE1-CD2 4.13Å; F937-K986 HydrophobicContact CZ-CB 3.78Å; F937-L990 HydrophobicContact CD2-CD1 4.37Å; F937-L990 HydrophobicContact CE1-CD1 3.88Å; F937-L990 HydrophobicContact CE2-CD1 3.66Å; F937-L990 HydrophobicContact CE2-CG 4.43Å; F937-L990 HydrophobicContact CZ-CD1 3.37Å; F937-L990 HydrophobicContact CZ-CG 4.33Å
938I95.3Very high93.8Very high0 Ų059.7 Ų59.70%031%0.31CS..Hα-helixtrans-62.6-35.4177.6-63.7-65.3000111.3V934 S935 S940 L941 C944 I947 A948 F951 L961 I983V934-I938 HydrophobicContact CG1-CG1 4.5Å; V934-I938 WeakPolarHBondContact O-CG1 3.47Å; V934-I938 PolarHBondContact O-N 3.25Å; S935-I938 PolarHBondContact O-N 2.93Å; I938-S940 VanDerWaalsContact C-N 3.34Å; I938-L941 HydrophobicContact CD1-CD1 4.24Å; I938-L941 WeakPolarHBondContact O-CB 3.43Å; I938-L941 PolarHBondContact O-N 3.15Å; I938-C944 HydrophobicContact CG2-CB 4.23Å; I938-C944 WeakPolarHBondContact O-CB 3.33Å; I938-I947 HydrophobicContact CG2-CB 4.36Å; I938-I947 HydrophobicContact CG2-CG2 4.48Å; I938-A948 HydrophobicContact CB-CB 4.33Å; I938-A948 HydrophobicContact CG2-CB 4.16Å; I938-F951 HydrophobicContact CD1-CD1 4.38Å; I938-F951 HydrophobicContact CD1-CE1 3.96Å; I938-F951 HydrophobicContact CD1-CE2 4.3Å; I938-F951 HydrophobicContact CD1-CZ 3.92Å; I938-F951 HydrophobicContact CG1-CD1 3.91Å; I938-F951 HydrophobicContact CG1-CD2 4.23Å; I938-F951 HydrophobicContact CG1-CE1 4.01Å; I938-F951 HydrophobicContact CG1-CE2 4.33Å; I938-F951 HydrophobicContact CG1-CG 4.02Å; I938-F951 HydrophobicContact CG1-CZ 4.22Å; I938-F951 HydrophobicContact CG2-CD2 4.24Å; I938-F951 HydrophobicContact CG2-CE2 4.4Å; I938-L961 HydrophobicContact CD1-CD1 4.48Å; I938-I983 HydrophobicContact CD1-CD1 4.3Å; I938-I983 HydrophobicContact CD1-CG1 4.08Å; I938-I983 HydrophobicContact CD1-CG2 3.72Å; I938-I983 HydrophobicContact CG2-CD1 4.47Å
939A94.4Very high93.8Very high30 Ų3055.5 Ų55.525%0.24830%0.299CS..Hα-helixtrans-66.3-34.4175.500000112.9S935 E936 F937 L941 Q945 A948S935-A939 VanDerWaalsContact O-CB 3.27Å; S935-A939 WeakPolarHBondContact O-CB 3.39Å; S935-A939 PolarHBondContact O-N 3.32Å; E936-A939 PolarHBondContact O-N 2.92Å; F937-A939 VanDerWaalsContact C-N 3.28Å; F937-A939 PolarHBondContact O-N 3.5Å; A939-L941 PolarHBondContact O-N 3.03Å; A939-Q945 HydrophobicContact CB-CG 4.27Å; A939-A948 HydrophobicContact CB-CB 3.76Å
940S92.9Very high93.8Very high48 Ų4859 Ų5934%0.33632%0.316SS..Hα-helixtrans-67.9-23.5175.583.10000113E936 F937 I938 Q942E936-S940 PolarHBondContact O-N 2.88Å; F937-S940 WeakPolarHBondContact O-CB 3.39Å; F937-S940 PolarHBondContact O-N 2.98Å; F937-S940 VanDerWaalsContact O-N 3.13Å; F937-S940 PolarHBondContact O-OG 2.92Å; I938-S940 VanDerWaalsContact C-N 3.34Å; S940-Q942 PolarHBondContact O-N 2.9Å
941L92.2Very high93.8Very high4 Ų456.5 Ų56.52%0.02130%0.298CS..SBendtrans-72.5117.4179.9-56.6-172.4000110.6I917 F937 I938 A939 G943 C944 I983 K986I917-L941 HydrophobicContact CG1-CD2 4.31Å; F937-L941 HydrophobicContact CE1-CD1 4.2Å; F937-L941 HydrophobicContact CE2-CD2 4.25Å; F937-L941 HydrophobicContact CZ-CD1 4.19Å; F937-L941 HydrophobicContact CZ-CD2 4.37Å; F937-L941 WeakPolarHBondContact O-CG 3.46Å; F937-L941 PolarHBondContact O-N 3.43Å; I938-L941 HydrophobicContact CD1-CD1 4.24Å; I938-L941 WeakPolarHBondContact O-CB 3.43Å; I938-L941 PolarHBondContact O-N 3.15Å; A939-L941 PolarHBondContact O-N 3.03Å; L941-G943 PolarHBondContact O-N 3.37Å; L941-C944 HydrophobicContact CB-CB 3.93Å; L941-C944 WeakPolarHBondContact O-CB 3.29Å; L941-C944 PolarHBondContact O-N 2.94Å; L941-I983 HydrophobicContact CD1-CG1 4.18Å; L941-K986 HydrophobicContact CD1-CB 4.2Å; L941-K986 HydrophobicContact CD1-CG 3.77Å; L941-K986 HydrophobicContact CD2-CD 4.46Å; L941-K986 HydrophobicContact CD2-CG 3.83Å; L941-K986 HydrophobicContact CG-CG 4.45Å
942Q89.3Confident93.7Very high163 Ų16359 Ų5976%0.76230%0.304SS*.THydrogen-bonded Turntrans-51.6112.6-175.3-170.7-16247.500112.5S940 K982S940-Q942 PolarHBondContact O-N 2.9Å; Q942-K982 PolarHBondContact O-NZ 3.31Å
943G86.6Confident93.6Very high72 Ų7258.7 Ų58.774%0.74231%0.312SS*.THydrogen-bonded Turntrans88.46-179.800000115.7L941L941-G943 PolarHBondContact O-N 3.37Å
944C91.5Very high93.7Very high1 Ų158.6 Ų58.61%0.00731%0.311CS..  trans-107.73.4177.6-59.20000113.4I938 L941 E946 I947 A948I938-C944 HydrophobicContact CG2-CB 4.23Å; I938-C944 WeakPolarHBondContact O-CB 3.33Å; L941-C944 HydrophobicContact CB-CB 3.93Å; L941-C944 WeakPolarHBondContact O-CB 3.29Å; L941-C944 PolarHBondContact O-N 2.94Å; C944-E946 VanDerWaalsContact C-N 3.3Å; C944-E946 PolarHBondContact O-N 3.27Å; C944-I947 HydrophobicContact CB-CD1 4.26Å; C944-I947 WeakPolarHBondContact O-CA 3.5Å; C944-I947 WeakPolarHBondContact O-CB 3.36Å; C944-I947 PolarHBondContact O-N 3.42Å; C944-A948 PolarHBondContact O-N 2.8Å
945Q92.2Very high93.7Very high147 Ų14766.5 Ų66.569%0.68735%0.348SS*.THydrogen-bonded Turntrans-60.8-32.4-177.2-164.3173.423.300114.2A939 I947A939-Q945 HydrophobicContact CB-CG 4.27Å; Q945-I947 PolarHBondContact O-N 2.92Å
946E91.1Very high93.7Very high181 Ų18166.8 Ų66.885%0.84635%0.349SS*.THydrogen-bonded Turntrans-70.8-6.7172.1-65.1179.6-174.100113.3C944C944-E946 VanDerWaalsContact C-N 3.3Å; C944-E946 PolarHBondContact O-N 3.27Å
947I93.6Very high93.8Very high23 Ų2363.2 Ų63.212%0.11833%0.334CS..THydrogen-bonded Turntrans-104.9-23.1-177.3-51.8172.2000111.2I938 C944 Q945 E949 E950 F951 I975 P979 I983I938-I947 HydrophobicContact CG2-CB 4.36Å; I938-I947 HydrophobicContact CG2-CG2 4.48Å; C944-I947 HydrophobicContact CB-CD1 4.26Å; C944-I947 WeakPolarHBondContact O-CA 3.5Å; C944-I947 WeakPolarHBondContact O-CB 3.36Å; C944-I947 PolarHBondContact O-N 3.42Å; Q945-I947 PolarHBondContact O-N 2.92Å; I947-E949 PolarHBondContact O-N 3.06Å; I947-E950 WeakPolarHBondContact O-CB 3.23Å; I947-E950 PolarHBondContact O-N 3.45Å; I947-F951 HydrophobicContact CG2-CD2 3.97Å; I947-F951 HydrophobicContact CG2-CE2 3.84Å; I947-F951 PolarHBondContact O-N 3.04Å; I947-I975 HydrophobicContact CD1-CG2 4.01Å; I947-I975 HydrophobicContact CG2-CD1 3.44Å; I947-I975 VanDerWaalsContact CG2-CD1 3.44Å; I947-I975 HydrophobicContact CG2-CG1 3.79Å; I947-P979 HydrophobicContact CD1-CB 3.46Å; I947-P979 VanDerWaalsContact CD1-CB 3.46Å; I947-P979 HydrophobicContact CD1-CG 4.22Å; I947-I983 HydrophobicContact CD1-CD1 4.35Å; I947-I983 HydrophobicContact CG2-CD1 4.21Å
948A95.4Very high93.8Very high6 Ų663.2 Ų63.25%0.0533%0.334CS..Hα-helixtrans-56.4-33.617900000113.5S935 I938 A939 C944 F951 R952S935-A948 VanDerWaalsContact O-CB 3.29Å; S935-A948 WeakPolarHBondContact O-CB 3.45Å; S935-A948 PolarHBondContact OG-O 3.31Å; I938-A948 HydrophobicContact CB-CB 4.33Å; I938-A948 HydrophobicContact CG2-CB 4.16Å; A939-A948 HydrophobicContact CB-CB 3.76Å; C944-A948 PolarHBondContact O-N 2.8Å; A948-F951 PolarHBondContact O-N 3.47Å; A948-R952 PolarHBondContact O-N 3.3Å; A948-R952 VanDerWaalsContact O-N 3.11Å
949E94.4Very high93.8Very high106 Ų10668.9 Ų68.950%0.49536%0.361SS..Hα-helixtrans-71.3-29.4176.7-154.763.9-118.400112.7I947 R952 S953I947-E949 PolarHBondContact O-N 3.06Å; E949-R952 WeakPolarHBondContact OE1-CD 3.46Å; E949-R952 IonicContact OE1-CZ 2.86Å; E949-R952 IonicContact OE1-NE 3.19Å; E949-R952 IonicContact OE1-NH1 2.74Å; E949-R952 PolarHBondContact OE1-NH1 2.91Å; E949-R952 IonicContact OE2-NH1 2.71Å; E949-R952 PolarHBondContact OE2-NH1 3.35Å; E949-S953 VanDerWaalsContact O-CB 3.25Å; E949-S953 WeakPolarHBondContact O-CB 3.35Å; E949-S953 PolarHBondContact O-N 3.34Å; E949-S953 PolarHBondContact O-OG 3.41Å
950E94.2Very high93.9Very high80 Ų8069.1 Ų69.137%0.37436%0.363SS..Hα-helixtrans-71.6-37.4175-169.769.4-129.900110.3I947 S953 Q954 M973I947-E950 WeakPolarHBondContact O-CB 3.23Å; I947-E950 PolarHBondContact O-N 3.45Å; E950-S953 PolarHBondContact O-N 3.19Å; E950-Q954 WeakPolarHBondContact O-CG 3.38Å; E950-Q954 PolarHBondContact O-N 3.03Å; E950-Q954 VanDerWaalsContact O-N 3.11Å; E950-Q954 PolarHBondContact OE1-NE2 3.41Å; E950-M973 HydrophobicContact CG-CB 4.02Å
951F95.9Very high94Very high0 Ų066.9 Ų66.90%035%0.347CS..Hα-helixtrans-64.8-42.3172.3-84.5-111000112V934 I938 I947 A948 Q954 E955 I956 L961 L964 L969 M973 I975 I983V934-F951 HydrophobicContact CG1-CD1 3.77Å; I938-F951 HydrophobicContact CD1-CD1 4.38Å; I938-F951 HydrophobicContact CD1-CE1 3.96Å; I938-F951 HydrophobicContact CD1-CE2 4.3Å; I938-F951 HydrophobicContact CD1-CZ 3.92Å; I938-F951 HydrophobicContact CG1-CD1 3.91Å; I938-F951 HydrophobicContact CG1-CD2 4.23Å; I938-F951 HydrophobicContact CG1-CE1 4.01Å; I938-F951 HydrophobicContact CG1-CE2 4.33Å; I938-F951 HydrophobicContact CG1-CG 4.02Å; I938-F951 HydrophobicContact CG1-CZ 4.22Å; I938-F951 HydrophobicContact CG2-CD2 4.24Å; I938-F951 HydrophobicContact CG2-CE2 4.4Å; I947-F951 HydrophobicContact CG2-CD2 3.97Å; I947-F951 HydrophobicContact CG2-CE2 3.84Å; I947-F951 PolarHBondContact O-N 3.04Å; A948-F951 PolarHBondContact O-N 3.47Å; F951-Q954 PolarHBondContact O-N 3.43Å; F951-E955 PolarHBondContact O-N 3.14Å; F951-I956 HydrophobicContact CB-CD1 4.47Å; F951-I956 HydrophobicContact CD1-CB 4.11Å; F951-I956 HydrophobicContact CD1-CD1 3.81Å; F951-I956 HydrophobicContact CD1-CG2 3.96Å; F951-I956 HydrophobicContact CE1-CD1 4.23Å; F951-I956 HydrophobicContact CE1-CG2 4.36Å; F951-I956 HydrophobicContact CG-CD1 4.13Å; F951-I956 PolarHBondContact O-N 3.35Å; F951-L961 HydrophobicContact CD1-CD1 4.46Å; F951-L961 HydrophobicContact CE1-CD1 3.8Å; F951-L964 HydrophobicContact CD1-CD1 4.47Å; F951-L964 HydrophobicContact CE1-CD1 3.56Å; F951-L964 HydrophobicContact CZ-CD1 4.06Å; F951-L969 HydrophobicContact CE2-CD2 4.29Å; F951-L969 HydrophobicContact CZ-CD2 3.66Å; F951-M973 HydrophobicContact CD2-SD 4.16Å; F951-M973 HydrophobicContact CE2-SD 3.68Å; F951-M973 HydrophobicContact CZ-CE 4.33Å; F951-M973 HydrophobicContact CZ-SD 3.92Å; F951-I975 HydrophobicContact CE2-CD1 3.88Å; F951-I983 HydrophobicContact CE2-CD1 4.22Å; F951-I983 HydrophobicContact CZ-CD1 4.43Å; F951-I983 HydrophobicContact CZ-CG2 4.07Å
952R95.8Very high94.2Very high87 Ų8768 Ų6833%0.32835%0.353SS..Hα-helixtrans-62-46.9171.9-177.5-171.7-73.7115.24.2111.5V931 E932 A948 E949 Q954 E955V931-R952 HydrophobicContact CG1-CB 4.36Å; V931-R952 HydrophobicContact CG1-CG 4.27Å; E932-R952 IonicContact OE1-CZ 2.61Å; E932-R952 IonicContact OE1-NE 3.79Å; E932-R952 PolarHBondContact OE1-NE 3.46Å; E932-R952 IonicContact OE1-NH2 3.2Å; E932-R952 PolarHBondContact OE1-NH2 3.01Å; A948-R952 PolarHBondContact O-N 3.3Å; A948-R952 VanDerWaalsContact O-N 3.11Å; E949-R952 WeakPolarHBondContact OE1-CD 3.46Å; E949-R952 IonicContact OE1-CZ 2.86Å; E949-R952 IonicContact OE1-NE 3.19Å; E949-R952 IonicContact OE1-NH1 2.74Å; E949-R952 PolarHBondContact OE1-NH1 2.91Å; E949-R952 IonicContact OE2-NH1 2.71Å; E949-R952 PolarHBondContact OE2-NH1 3.35Å; R952-Q954 PolarHBondContact O-N 2.99Å; R952-Q954 VanDerWaalsContact O-N 3.14Å; R952-E955 PolarHBondContact O-N 2.94Å
953S95.2Very high94.4Very high84 Ų8466.6 Ų66.659%0.58735%0.35SS*.Hα-helixtrans-64.4-17.2-178-610000114E949 E950E949-S953 VanDerWaalsContact O-CB 3.25Å; E949-S953 WeakPolarHBondContact O-CB 3.35Å; E949-S953 PolarHBondContact O-N 3.34Å; E949-S953 PolarHBondContact O-OG 3.41Å; E950-S953 PolarHBondContact O-N 3.19Å
954Q95.3Very high94.8Very high70 Ų7064.3 Ų64.333%0.32732%0.32SS..THydrogen-bonded Turntrans-106.612.5176.1-65.1-17433.100112.9E950 F951 R952 I956E950-Q954 WeakPolarHBondContact O-CG 3.38Å; E950-Q954 PolarHBondContact O-N 3.03Å; E950-Q954 VanDerWaalsContact O-N 3.11Å; E950-Q954 PolarHBondContact OE1-NE2 3.41Å; F951-Q954 PolarHBondContact O-N 3.43Å; R952-Q954 PolarHBondContact O-N 2.99Å; R952-Q954 VanDerWaalsContact O-N 3.14Å; Q954-I956 HydrophobicContact CB-CD1 3.91Å; Q954-I956 HydrophobicContact CB-CG1 3.78Å; Q954-I956 PolarHBondContact O-N 3.41Å
955E96.1Very high95Very high166 Ų16669.4 Ų69.478%0.77634%0.343SS*.THydrogen-bonded Turntrans54.136.9175.2-56.9-175.9128.400113.5F951 R952 D957F951-E955 PolarHBondContact O-N 3.14Å; R952-E955 PolarHBondContact O-N 2.94Å; E955-D957 PolarHBondContact O-N 2.78Å
956I96.4Very high95.1Very high12 Ų1266.2 Ų66.26%0.06233%0.328CS..  trans-79.6103.8-172.3-54.8-174.6000110.3V934 F951 Q954 A960 L961 L964 M973V934-I956 WeakPolarHBondContact CB-O 3.34Å; V934-I956 HydrophobicContact CG1-CG2 4.36Å; V934-I956 WeakPolarHBondContact CG1-O 3.47Å; F951-I956 HydrophobicContact CB-CD1 4.47Å; F951-I956 HydrophobicContact CD1-CB 4.11Å; F951-I956 HydrophobicContact CD1-CD1 3.81Å; F951-I956 HydrophobicContact CD1-CG2 3.96Å; F951-I956 HydrophobicContact CE1-CD1 4.23Å; F951-I956 HydrophobicContact CE1-CG2 4.36Å; F951-I956 HydrophobicContact CG-CD1 4.13Å; F951-I956 PolarHBondContact O-N 3.35Å; Q954-I956 HydrophobicContact CB-CD1 3.91Å; Q954-I956 HydrophobicContact CB-CG1 3.78Å; Q954-I956 PolarHBondContact O-N 3.41Å; I956-A960 HydrophobicContact CG2-CB 3.9Å; I956-L961 HydrophobicContact CG2-CB 4.45Å; I956-L964 HydrophobicContact CD1-CD1 4.25Å; I956-L964 HydrophobicContact CG2-CD1 4.02Å; I956-M973 HydrophobicContact CD1-CE 3.25Å; I956-M973 HydrophobicContact CD1-SD 4.12Å
957D96.6Very high95.3Very high47 Ų4762 Ų6225%0.25131%0.308SS..  trans-79174.1171.987.4-32.8000112.4E955 Q959 A960 L961E955-D957 PolarHBondContact O-N 2.78Å; D957-Q959 VanDerWaalsContact C-N 3.25Å; D957-Q959 PolarHBondContact O-N 3.41Å; D957-Q959 PolarHBondContact OD1-N 3.03Å; D957-Q959 PolarHBondContact OD2-NE2 3.41Å; D957-A960 PolarHBondContact O-N 2.97Å; D957-A960 VanDerWaalsContact OD1-CB 3.3Å; D957-A960 WeakPolarHBondContact OD1-CB 3.43Å; D957-A960 PolarHBondContact OD1-N 3.33Å; D957-L961 WeakPolarHBondContact O-CB 3.42Å; D957-L961 PolarHBondContact O-N 3.05Å
958G95.8Very high95.3Very high0 Ų064.7 Ų64.70%032%0.32CS..Hα-helixtrans-61.6-29.8179.800000114.2P926 W929 L962P926-G958 CarbonylContact O-C 3.6Å; P926-G958 WeakPolarHBondContact O-CA 3.31Å; W929-G958 PolarHBondContact O-N 2.97Å; G958-L962 WeakPolarHBondContact O-CD1 3.3Å; G958-L962 VanDerWaalsContact O-CG 3.28Å; G958-L962 WeakPolarHBondContact O-CG 3.42Å; G958-L962 PolarHBondContact O-N 3.27Å
959Q95.1Very high95.4Very high119 Ų11964.4 Ų64.456%0.55632%0.317SS*.Hα-helixtrans-71.9-45.9176.3-61172.894.200111S927 D957 L961 L962 L963S927-Q959 VanDerWaalsContact O-CG 3.28Å; S927-Q959 WeakPolarHBondContact O-CG 3.45Å; D957-Q959 VanDerWaalsContact C-N 3.25Å; D957-Q959 PolarHBondContact O-N 3.41Å; D957-Q959 PolarHBondContact OD1-N 3.03Å; D957-Q959 PolarHBondContact OD2-NE2 3.41Å; Q959-L961 VanDerWaalsContact C-N 3.34Å; Q959-L962 PolarHBondContact O-N 3.41Å; Q959-L963 WeakPolarHBondContact O-CG 3.35Å; Q959-L963 PolarHBondContact O-N 3.34Å
960A96.4Very high95.4Very high36 Ų3662.9 Ų62.930%0.29831%0.311SS..Hα-helixtrans-60.3-43.617300000111.2I956 D957 L962 L963 L964I956-A960 HydrophobicContact CG2-CB 3.9Å; D957-A960 PolarHBondContact O-N 2.97Å; D957-A960 VanDerWaalsContact OD1-CB 3.3Å; D957-A960 WeakPolarHBondContact OD1-CB 3.43Å; D957-A960 PolarHBondContact OD1-N 3.33Å; A960-L962 VanDerWaalsContact C-N 3.31Å; A960-L962 PolarHBondContact O-N 3.4Å; A960-L963 WeakPolarHBondContact O-CA 3.39Å; A960-L963 PolarHBondContact O-N 3.03Å; A960-L964 WeakPolarHBondContact O-CG 3.41Å; A960-L964 PolarHBondContact O-N 2.97Å
961L95.9Very high95.3Very high0 Ų063.5 Ų63.50%032%0.324CS..Hα-helixtrans-52.9-45.2177.4179.267.7000112.4W929 V934 F937 I938 F951 I956 D957 Q959 L963 L964 I987 L990W929-L961 HydrophobicContact CE3-CD2 3.91Å; W929-L961 HydrophobicContact CZ3-CD2 3.79Å; V934-L961 HydrophobicContact CG1-CB 4.46Å; V934-L961 HydrophobicContact CG1-CD1 4.25Å; V934-L961 HydrophobicContact CG1-CD2 4.21Å; V934-L961 HydrophobicContact CG2-CB 4.35Å; V934-L961 HydrophobicContact CG2-CD2 4.09Å; F937-L961 HydrophobicContact CD1-CD2 4.06Å; F937-L961 HydrophobicContact CE1-CD2 4.13Å; I938-L961 HydrophobicContact CD1-CD1 4.48Å; F951-L961 HydrophobicContact CD1-CD1 4.46Å; F951-L961 HydrophobicContact CE1-CD1 3.8Å; I956-L961 HydrophobicContact CG2-CB 4.45Å; D957-L961 WeakPolarHBondContact O-CB 3.42Å; D957-L961 PolarHBondContact O-N 3.05Å; Q959-L961 VanDerWaalsContact C-N 3.34Å; L961-L963 VanDerWaalsContact C-N 3.25Å; L961-L963 PolarHBondContact O-N 2.98Å; L961-L964 HydrophobicContact CD1-CD1 4.32Å; L961-L964 WeakPolarHBondContact O-CB 3.41Å; L961-L964 PolarHBondContact O-N 3.49Å; L961-I987 HydrophobicContact CD1-CD1 3.71Å; L961-I987 HydrophobicContact CD1-CG1 3.81Å; L961-I987 HydrophobicContact CG-CD1 4.42Å; L961-I987 HydrophobicContact CG-CG1 4.15Å; L961-I987 WeakPolarHBondContact O-CG2 3.38Å; L961-L990 HydrophobicContact CD2-CD1 4.36Å
962L94.8Very high95Very high29 Ų2966.6 Ų66.615%0.15235%0.35CS..Hα-helixtrans-72.2-17.5-179.3-62.9166.2000113.4P926 G958 Q959 A960 L990 K991P926-L962 HydrophobicContact CB-CD1 4.2Å; P926-L962 HydrophobicContact CB-CD2 4.15Å; P926-L962 HydrophobicContact CB-CG 4.5Å; P926-L962 HydrophobicContact CG-CD1 4.27Å; P926-L962 HydrophobicContact CG-CD2 4.2Å; G958-L962 WeakPolarHBondContact O-CD1 3.3Å; G958-L962 VanDerWaalsContact O-CG 3.28Å; G958-L962 WeakPolarHBondContact O-CG 3.42Å; G958-L962 PolarHBondContact O-N 3.27Å; Q959-L962 PolarHBondContact O-N 3.41Å; A960-L962 VanDerWaalsContact C-N 3.31Å; A960-L962 PolarHBondContact O-N 3.4Å; L962-L990 HydrophobicContact CD2-CB 4.1Å; L962-L990 WeakPolarHBondContact CD2-O 3.27Å; L962-K991 HydrophobicContact CB-CD 4.45Å; L962-K991 HydrophobicContact CB-CG 4.36Å; L962-K991 HydrophobicContact CD2-CD 4.2Å; L962-K991 HydrophobicContact CD2-CG 3.47Å; L962-K991 VanDerWaalsContact CD2-CG 3.47Å; L962-K991 HydrophobicContact CG-CG 4.48Å; L962-K991 WeakPolarHBondContact O-CD 3.48Å; L962-K991 WeakPolarHBondContact O-CE 3.42Å; L962-K991 PolarHBondContact O-NZ 2.93Å
963L95.1Very high94.8Very high133 Ų13362.9 Ų62.970%0.69634%0.337SS*.Hα-helixtrans-91.7-15.4174.3-64.2174000113.2Q959 A960 L961Q959-L963 WeakPolarHBondContact O-CG 3.35Å; Q959-L963 PolarHBondContact O-N 3.34Å; A960-L963 WeakPolarHBondContact O-CA 3.39Å; A960-L963 PolarHBondContact O-N 3.03Å; L961-L963 VanDerWaalsContact C-N 3.25Å; L961-L963 PolarHBondContact O-N 2.98Å
964L95.1Very high94.7Very high23 Ų2365.2 Ų65.212%0.1234%0.342CS..  trans-64.9152.3178.1-72.4174000112.6F951 I956 A960 L961 H968 L969 M973 I987F951-L964 HydrophobicContact CD1-CD1 4.47Å; F951-L964 HydrophobicContact CE1-CD1 3.56Å; F951-L964 HydrophobicContact CZ-CD1 4.06Å; I956-L964 HydrophobicContact CD1-CD1 4.25Å; I956-L964 HydrophobicContact CG2-CD1 4.02Å; A960-L964 WeakPolarHBondContact O-CG 3.41Å; A960-L964 PolarHBondContact O-N 2.97Å; L961-L964 HydrophobicContact CD1-CD1 4.32Å; L961-L964 WeakPolarHBondContact O-CB 3.41Å; L961-L964 PolarHBondContact O-N 3.49Å; L964-H968 HydrophobicContact CD2-CB 3.72Å; L964-L969 HydrophobicContact CB-CD2 4.47Å; L964-L969 HydrophobicContact CD1-CD2 3.98Å; L964-M973 HydrophobicContact CD1-CE 3.68Å; L964-M973 HydrophobicContact CD2-CE 3.55Å; L964-M973 HydrophobicContact CG-CE 4.29Å; L964-I987 HydrophobicContact CB-CD1 4.12Å
965K94.6Very high94.6Very high109 Ų10962.5 Ų62.547%0.47433%0.33SS..  trans-146.4170.5-179.6-57.1170.8178.3176.90109.7E967 H968 L969 C984K965-E967 VanDerWaalsContact C-N 3.28Å; K965-E967 WeakPolarHBondContact CB-OE2 3.36Å; K965-E967 VanDerWaalsContact CD-CD 3.48Å; K965-E967 WeakPolarHBondContact CD-OE1 3.49Å; K965-E967 WeakPolarHBondContact CD-OE2 3.47Å; K965-E967 IonicContact NZ-OE1 2.78Å; K965-E967 PolarHBondContact NZ-OE1 3.41Å; K965-E967 VanDerWaalsContact NZ-OE1 3.11Å; K965-E967 PolarHBondContact O-N 2.89Å; K965-H968 PolarHBondContact O-N 3.5Å; K965-L969 PolarHBondContact O-N 3.23Å; K965-L969 VanDerWaalsContact O-N 3.15Å; K965-C984 VanDerWaalsContact C-SG 3.58Å
966E95.3Very high94.6Very high79 Ų7962.5 Ų62.537%0.36933%0.328SS..Hα-helixtrans-53.1-42.7-178.8-170.9-176.1143.800112.7H968 L969 M970 L977 L981 C984E966-H968 VanDerWaalsContact C-N 3.3Å; E966-H968 PolarHBondContact O-N 3.46Å; E966-L969 PolarHBondContact O-N 3.13Å; E966-M970 HydrophobicContact CG-CG 4.44Å; E966-M970 HydrophobicContact CG-SD 3.83Å; E966-M970 WeakPolarHBondContact O-CB 3.45Å; E966-M970 WeakPolarHBondContact O-CG 3.46Å; E966-M970 PolarHBondContact O-N 3.49Å; E966-L977 HydrophobicContact CG-CD1 4.36Å; E966-L977 WeakPolarHBondContact OE1-CD1 3.42Å; E966-L981 WeakPolarHBondContact OE2-CD2 3.46Å; E966-C984 PolarHBondContact N-SG 3.48Å
967E94.1Very high94.5Very high93 Ų9365.8 Ų65.844%0.43535%0.345SS..Hα-helixtrans-62.7-35.4179.567.4-90.7-144.400112.6K965 S971K965-E967 VanDerWaalsContact C-N 3.28Å; K965-E967 WeakPolarHBondContact CB-OE2 3.36Å; K965-E967 VanDerWaalsContact CD-CD 3.48Å; K965-E967 WeakPolarHBondContact CD-OE1 3.49Å; K965-E967 WeakPolarHBondContact CD-OE2 3.47Å; K965-E967 IonicContact NZ-OE1 2.78Å; K965-E967 PolarHBondContact NZ-OE1 3.41Å; K965-E967 VanDerWaalsContact NZ-OE1 3.11Å; K965-E967 PolarHBondContact O-N 2.89Å; E967-S971 VanDerWaalsContact O-CB 3.23Å; E967-S971 WeakPolarHBondContact O-CB 3.39Å; E967-S971 PolarHBondContact O-N 3.43Å; E967-S971 PolarHBondContact O-OG 2.92Å
968H95Very high94.3Very high79 Ų7965.6 Ų65.637%0.36635%0.354SS..Hα-helixtrans-73.5-45.2179.5-61-55.5000111.2L964 K965 E966 M970 A972 M973L964-H968 HydrophobicContact CD2-CB 3.72Å; K965-H968 PolarHBondContact O-N 3.5Å; E966-H968 VanDerWaalsContact C-N 3.3Å; E966-H968 PolarHBondContact O-N 3.46Å; H968-M970 VanDerWaalsContact C-N 3.34Å; H968-M970 PolarHBondContact O-N 2.92Å; H968-A972 WeakPolarHBondContact O-CB 3.49Å; H968-A972 PolarHBondContact O-N 3.39Å; H968-M973 PolarHBondContact O-N 3.05Å
969L95.5Very high94.3Very high0 Ų067.4 Ų67.40%037%0.366CS..Hα-helixtrans-59.7-44.3175.7-57.4-172.5000111.4F951 L964 K965 E966 M973 N974 I975 A980 I983 C984F951-L969 HydrophobicContact CE2-CD2 4.29Å; F951-L969 HydrophobicContact CZ-CD2 3.66Å; L964-L969 HydrophobicContact CB-CD2 4.47Å; L964-L969 HydrophobicContact CD1-CD2 3.98Å; K965-L969 PolarHBondContact O-N 3.23Å; K965-L969 VanDerWaalsContact O-N 3.15Å; E966-L969 PolarHBondContact O-N 3.13Å; L969-M973 HydrophobicContact CD2-CE 3.66Å; L969-M973 HydrophobicContact CD2-SD 3.58Å; L969-M973 VanDerWaalsContact CD2-SD 3.58Å; L969-M973 WeakPolarHBondContact O-CB 3.48Å; L969-N974 PolarHBondContact O-N 3.46Å; L969-I975 HydrophobicContact CB-CB 4.43Å; L969-I975 HydrophobicContact CB-CD1 4.12Å; L969-I975 HydrophobicContact CD2-CD1 4.22Å; L969-I975 WeakPolarHBondContact O-CB 3.44Å; L969-I975 PolarHBondContact O-N 3.23Å; L969-A980 HydrophobicContact CB-CB 3.8Å; L969-A980 HydrophobicContact CD1-CB 3.94Å; L969-A980 WeakPolarHBondContact CD1-O 3.35Å; L969-I983 HydrophobicContact CD1-CB 3.84Å; L969-I983 HydrophobicContact CD1-CG2 3.78Å; L969-C984 VanDerWaalsContact CD1-SG 3.54Å
970M95.3Very high94.3Very high74 Ų7461.8 Ų61.837%0.36534%0.339SS..Hα-helixtrans-79.3-34.9-175.7-70.4-175.657.600114.3E966 H968 N974 L977 A980E966-M970 HydrophobicContact CG-CG 4.44Å; E966-M970 HydrophobicContact CG-SD 3.83Å; E966-M970 WeakPolarHBondContact O-CB 3.45Å; E966-M970 WeakPolarHBondContact O-CG 3.46Å; E966-M970 PolarHBondContact O-N 3.49Å; H968-M970 VanDerWaalsContact C-N 3.34Å; H968-M970 PolarHBondContact O-N 2.92Å; M970-N974 WeakPolarHBondContact O-CA 3.48Å; M970-L977 HydrophobicContact CE-CB 3.97Å; M970-L977 HydrophobicContact CE-CD1 4.24Å; M970-L977 HydrophobicContact SD-CB 3.94Å; M970-L977 HydrophobicContact SD-CD1 3.51Å; M970-L977 VanDerWaalsContact SD-CD1 3.51Å; M970-L977 HydrophobicContact SD-CG 4.33Å; M970-A980 HydrophobicContact CG-CB 3.88Å
971S92.1Very high94.3Very high93 Ų9364 Ų6465%0.6535%0.346SS*.Hα-helixtrans-95.6-41.7-174.269.30000114.5E967E967-S971 VanDerWaalsContact O-CB 3.23Å; E967-S971 WeakPolarHBondContact O-CB 3.39Å; E967-S971 PolarHBondContact O-N 3.43Å; E967-S971 PolarHBondContact O-OG 2.92Å
972A88.9Confident94.2Very high66 Ų6668.4 Ų68.455%0.54537%0.365SS..THydrogen-bonded Turntrans-84.4-48.7-179.200000111.2H968H968-A972 WeakPolarHBondContact O-CB 3.49Å; H968-A972 PolarHBondContact O-N 3.39Å
973M92Very high94.2Very high9 Ų967 Ų674%0.04436%0.358CS..SBendtrans-88.2-4.7-178.2-39.8-177.7-171.600113.7E950 F951 I956 L964 H968 L969 I975E950-M973 HydrophobicContact CG-CB 4.02Å; F951-M973 HydrophobicContact CD2-SD 4.16Å; F951-M973 HydrophobicContact CE2-SD 3.68Å; F951-M973 HydrophobicContact CZ-CE 4.33Å; F951-M973 HydrophobicContact CZ-SD 3.92Å; I956-M973 HydrophobicContact CD1-CE 3.25Å; I956-M973 HydrophobicContact CD1-SD 4.12Å; L964-M973 HydrophobicContact CD1-CE 3.68Å; L964-M973 HydrophobicContact CD2-CE 3.55Å; L964-M973 HydrophobicContact CG-CE 4.29Å; H968-M973 PolarHBondContact O-N 3.05Å; L969-M973 HydrophobicContact CD2-CE 3.66Å; L969-M973 HydrophobicContact CD2-SD 3.58Å; L969-M973 VanDerWaalsContact CD2-SD 3.58Å; L969-M973 WeakPolarHBondContact O-CB 3.48Å; M973-I975 HydrophobicContact CB-CD1 3.57Å; M973-I975 HydrophobicContact CB-CG1 3.73Å; M973-I975 HydrophobicContact CG-CD1 4.14Å; M973-I975 PolarHBondContact O-N 3.08Å; M973-I975 HydrophobicContact SD-CD1 3.54Å; M973-I975 VanDerWaalsContact SD-CD1 3.54Å
974N92.6Very high94.1Very high132 Ų13261.5 Ų61.571%0.70633%0.33SS*.  trans5428.5-177.9-167.199.5000112.6L969 M970L969-N974 PolarHBondContact O-N 3.46Å; M970-N974 WeakPolarHBondContact O-CA 3.48Å
975I94.4Very high94.1Very high14 Ų1463 Ų637%0.07235%0.346CS..  trans-72.7144177.9-64.1161.7000109.2I947 F951 L969 M973 P979 A980I947-I975 HydrophobicContact CD1-CG2 4.01Å; I947-I975 HydrophobicContact CG2-CD1 3.44Å; I947-I975 VanDerWaalsContact CG2-CD1 3.44Å; I947-I975 HydrophobicContact CG2-CG1 3.79Å; F951-I975 HydrophobicContact CE2-CD1 3.88Å; L969-I975 HydrophobicContact CB-CB 4.43Å; L969-I975 HydrophobicContact CB-CD1 4.12Å; L969-I975 HydrophobicContact CD2-CD1 4.22Å; L969-I975 WeakPolarHBondContact O-CB 3.44Å; L969-I975 PolarHBondContact O-N 3.23Å; M973-I975 HydrophobicContact CB-CD1 3.57Å; M973-I975 HydrophobicContact CB-CG1 3.73Å; M973-I975 HydrophobicContact CG-CD1 4.14Å; M973-I975 PolarHBondContact O-N 3.08Å; M973-I975 HydrophobicContact SD-CD1 3.54Å; M973-I975 VanDerWaalsContact SD-CD1 3.54Å; I975-P979 HydrophobicContact CG2-CB 3.96Å; I975-A980 HydrophobicContact CG2-CB 4.06Å
976K95.4Very high94Very high165 Ų16559.3 Ų59.372%0.71733%0.33SS*.  trans-71.5143.7177-65164.8-171.31550110.2G978 P979 A980K976-G978 VanDerWaalsContact C-N 3.28Å; K976-G978 PolarHBondContact O-N 3.26Å; K976-G978 VanDerWaalsContact O-N 3.09Å; K976-P979 VanDerWaalsContact O-CD 3.24Å; K976-P979 WeakPolarHBondContact O-CD 3.28Å; K976-A980 WeakPolarHBondContact O-CB 3.43Å; K976-A980 PolarHBondContact O-N 2.99Å
977L93.8Very high93.9Very high82 Ų8255.6 Ų55.643%0.42931%0.312SS..Hα-helixtrans-42.9-47.1179.4178.463.1000114.2E966 M970 A980 L981E966-L977 HydrophobicContact CG-CD1 4.36Å; E966-L977 WeakPolarHBondContact OE1-CD1 3.42Å; M970-L977 HydrophobicContact CE-CB 3.97Å; M970-L977 HydrophobicContact CE-CD1 4.24Å; M970-L977 HydrophobicContact SD-CB 3.94Å; M970-L977 HydrophobicContact SD-CD1 3.51Å; M970-L977 VanDerWaalsContact SD-CD1 3.51Å; M970-L977 HydrophobicContact SD-CG 4.33Å; L977-A980 PolarHBondContact O-N 3.47Å; L977-L981 HydrophobicContact CD1-CD1 3.73Å; L977-L981 HydrophobicContact CD1-CD2 4.42Å; L977-L981 HydrophobicContact CD1-CG 3.83Å; L977-L981 HydrophobicContact CG-CD1 3.86Å; L977-L981 HydrophobicContact CG-CG 4.35Å; L977-L981 WeakPolarHBondContact O-CB 3.44Å; L977-L981 VanDerWaalsContact O-CG 3.32Å; L977-L981 WeakPolarHBondContact O-CG 3.49Å; L977-L981 PolarHBondContact O-N 3.42Å
978G93.8Very high93.8Very high43 Ų4355.2 Ų55.244%0.44331%0.314SS..Hα-helixtrans-57.5-61.5-179.600000113.7K976 A980 L981 K982K976-G978 VanDerWaalsContact C-N 3.28Å; K976-G978 PolarHBondContact O-N 3.26Å; K976-G978 VanDerWaalsContact O-N 3.09Å; G978-A980 VanDerWaalsContact C-N 3.31Å; G978-A980 PolarHBondContact O-N 3.31Å; G978-L981 PolarHBondContact O-N 2.93Å; G978-K982 PolarHBondContact O-N 3.01Å; G978-K982 VanDerWaalsContact O-N 3.08Å
979P94.5Very high93.6Very high38 Ų3852.3 Ų52.325%0.24730%0.301CS..Hα-helixtrans-58.1-35.9171.7-28.234.8000114.7I947 I975 K976 K982 I983I947-P979 HydrophobicContact CD1-CB 3.46Å; I947-P979 VanDerWaalsContact CD1-CB 3.46Å; I947-P979 HydrophobicContact CD1-CG 4.22Å; I975-P979 HydrophobicContact CG2-CB 3.96Å; K976-P979 VanDerWaalsContact O-CD 3.24Å; K976-P979 WeakPolarHBondContact O-CD 3.28Å; P979-K982 PolarHBondContact O-N 3.39Å; P979-I983 VanDerWaalsContact O-CG1 3.31Å; P979-I983 WeakPolarHBondContact O-CG1 3.34Å; P979-I983 PolarHBondContact O-N 2.87Å
980A95.9Very high93.3Very high0 Ų052.4 Ų52.40%030%0.302CS..Hα-helixtrans-60.8-50.1176.500000111.6L969 M970 I975 K976 L977 G978 K982 I983 C984L969-A980 HydrophobicContact CB-CB 3.8Å; L969-A980 HydrophobicContact CD1-CB 3.94Å; L969-A980 WeakPolarHBondContact CD1-O 3.35Å; M970-A980 HydrophobicContact CG-CB 3.88Å; I975-A980 HydrophobicContact CG2-CB 4.06Å; K976-A980 WeakPolarHBondContact O-CB 3.43Å; K976-A980 PolarHBondContact O-N 2.99Å; L977-A980 PolarHBondContact O-N 3.47Å; G978-A980 VanDerWaalsContact C-N 3.31Å; G978-A980 PolarHBondContact O-N 3.31Å; A980-K982 VanDerWaalsContact C-N 3.32Å; A980-K982 PolarHBondContact O-N 3.48Å; A980-I983 PolarHBondContact O-N 3.14Å; A980-I983 VanDerWaalsContact O-N 3.14Å; A980-C984 PolarHBondContact O-N 2.96Å; A980-C984 PolarHBondContact O-SG 3.39Å
981L95.3Very high93Very high84 Ų8454.2 Ų54.244%0.4431%0.308SS..Hα-helixtrans-58.9-40.7174.3-72.4170.9000112.2E966 L977 G978 I983 A985E966-L981 WeakPolarHBondContact OE2-CD2 3.46Å; L977-L981 HydrophobicContact CD1-CD1 3.73Å; L977-L981 HydrophobicContact CD1-CD2 4.42Å; L977-L981 HydrophobicContact CD1-CG 3.83Å; L977-L981 HydrophobicContact CG-CD1 3.86Å; L977-L981 HydrophobicContact CG-CG 4.35Å; L977-L981 WeakPolarHBondContact O-CB 3.44Å; L977-L981 VanDerWaalsContact O-CG 3.32Å; L977-L981 WeakPolarHBondContact O-CG 3.49Å; L977-L981 PolarHBondContact O-N 3.42Å; G978-L981 PolarHBondContact O-N 2.93Å; L981-I983 PolarHBondContact O-N 3.27Å; L981-A985 VanDerWaalsContact O-CB 3.3Å; L981-A985 WeakPolarHBondContact O-CB 3.47Å; L981-A985 PolarHBondContact O-N 3.26Å
982K94.3Very high92.5Very high92 Ų9257.6 Ų57.640%0.431%0.313SS..Hα-helixtrans-60.3-44.7174.5-72.6-170.672.71760111.7Q942 G978 P979 A980 K986Q942-K982 PolarHBondContact O-NZ 3.31Å; G978-K982 PolarHBondContact O-N 3.01Å; G978-K982 VanDerWaalsContact O-N 3.08Å; P979-K982 PolarHBondContact O-N 3.39Å; A980-K982 VanDerWaalsContact C-N 3.32Å; A980-K982 PolarHBondContact O-N 3.48Å; K982-K986 WeakPolarHBondContact O-CG 3.25Å; K982-K986 PolarHBondContact O-N 2.92Å
983I94.8Very high91.6Very high0 Ų060 Ų600%032%0.321CS..Hα-helixtrans-67.3-48.9-179.9-68.7164000110.3I938 L941 I947 F951 L969 P979 A980 L981 A985 K986 I987I938-I983 HydrophobicContact CD1-CD1 4.3Å; I938-I983 HydrophobicContact CD1-CG1 4.08Å; I938-I983 HydrophobicContact CD1-CG2 3.72Å; I938-I983 HydrophobicContact CG2-CD1 4.47Å; L941-I983 HydrophobicContact CD1-CG1 4.18Å; I947-I983 HydrophobicContact CD1-CD1 4.35Å; I947-I983 HydrophobicContact CG2-CD1 4.21Å; F951-I983 HydrophobicContact CE2-CD1 4.22Å; F951-I983 HydrophobicContact CZ-CD1 4.43Å; F951-I983 HydrophobicContact CZ-CG2 4.07Å; L969-I983 HydrophobicContact CD1-CB 3.84Å; L969-I983 HydrophobicContact CD1-CG2 3.78Å; P979-I983 VanDerWaalsContact O-CG1 3.31Å; P979-I983 WeakPolarHBondContact O-CG1 3.34Å; P979-I983 PolarHBondContact O-N 2.87Å; A980-I983 PolarHBondContact O-N 3.14Å; A980-I983 VanDerWaalsContact O-N 3.14Å; L981-I983 PolarHBondContact O-N 3.27Å; I983-A985 VanDerWaalsContact C-N 3.3Å; I983-A985 PolarHBondContact O-N 3.05Å; I983-K986 PolarHBondContact O-N 2.9Å; I983-I987 HydrophobicContact CG2-CD1 3.64Å; I983-I987 HydrophobicContact CG2-CG1 4.27Å; I983-I987 WeakPolarHBondContact O-CG1 3.49Å; I983-I987 PolarHBondContact O-N 3.46Å
984C94.5Very high91.5Very high17 Ų1762.6 Ų62.612%0.11534%0.335CS..Hα-helixtrans-57.1-40.5175.8-69.70000112.8K965 E966 L969 A980 K986 I987 N988K965-C984 VanDerWaalsContact C-SG 3.58Å; E966-C984 PolarHBondContact N-SG 3.48Å; L969-C984 VanDerWaalsContact CD1-SG 3.54Å; A980-C984 PolarHBondContact O-N 2.96Å; A980-C984 PolarHBondContact O-SG 3.39Å; C984-K986 VanDerWaalsContact C-N 3.27Å; C984-K986 PolarHBondContact O-N 3.48Å; C984-I987 PolarHBondContact O-N 3.28Å; C984-N988 PolarHBondContact O-N 3.03Å
985A94.1Very high91.5Very high54 Ų5458.9 Ų58.945%0.44632%0.316SS..Hα-helixtrans-61.9-33.5175.300000112.6L981 I983 V989L981-A985 VanDerWaalsContact O-CB 3.3Å; L981-A985 WeakPolarHBondContact O-CB 3.47Å; L981-A985 PolarHBondContact O-N 3.26Å; I983-A985 VanDerWaalsContact C-N 3.3Å; I983-A985 PolarHBondContact O-N 3.05Å; A985-V989 WeakPolarHBondContact O-CG2 3.07Å
986K92.3Very high91.3Very high32 Ų3261.4 Ų61.414%0.13933%0.329CS..Hα-helixtrans-77.8-35.5173.3-57.8-50.6-157.1163.80113.1H915 G916 I917 F937 L941 K982 I983 C984 N988 V989 L990H915-K986 VanDerWaalsContact CA-NZ 3.34Å; G916-K986 VanDerWaalsContact C-NZ 3.28Å; G916-K986 VanDerWaalsContact O-CE 3.26Å; G916-K986 WeakPolarHBondContact O-CE 3.45Å; G916-K986 PolarHBondContact O-NZ 3.1Å; I917-K986 HydrophobicContact CD1-CB 4.29Å; I917-K986 HydrophobicContact CD1-CD 3.97Å; I917-K986 HydrophobicContact CG1-CB 4.48Å; I917-K986 HydrophobicContact CG1-CD 3.76Å; I917-K986 HydrophobicContact CG1-CG 4.28Å; F937-K986 HydrophobicContact CZ-CB 3.78Å; L941-K986 HydrophobicContact CD1-CB 4.2Å; L941-K986 HydrophobicContact CD1-CG 3.77Å; L941-K986 HydrophobicContact CD2-CD 4.46Å; L941-K986 HydrophobicContact CD2-CG 3.83Å; L941-K986 HydrophobicContact CG-CG 4.45Å; K982-K986 WeakPolarHBondContact O-CG 3.25Å; K982-K986 PolarHBondContact O-N 2.92Å; I983-K986 PolarHBondContact O-N 2.9Å; C984-K986 VanDerWaalsContact C-N 3.27Å; C984-K986 PolarHBondContact O-N 3.48Å; K986-N988 VanDerWaalsContact C-N 3.31Å; K986-N988 PolarHBondContact O-N 3.42Å; K986-V989 WeakPolarHBondContact O-CB 3.21Å; K986-V989 PolarHBondContact O-N 3.38Å; K986-L990 WeakPolarHBondContact O-CG 3.25Å; K986-L990 PolarHBondContact O-N 3.34Å
987I93.8Very high91.1Very high0 Ų055.4 Ų55.40%031%0.306CS..Hα-helixtrans-62.2-40.2175.6-68.7166.1000110.5L961 L964 I983 C984 V989 L990 K991L961-I987 HydrophobicContact CD1-CD1 3.71Å; L961-I987 HydrophobicContact CD1-CG1 3.81Å; L961-I987 HydrophobicContact CG-CD1 4.42Å; L961-I987 HydrophobicContact CG-CG1 4.15Å; L961-I987 WeakPolarHBondContact O-CG2 3.38Å; L964-I987 HydrophobicContact CB-CD1 4.12Å; I983-I987 HydrophobicContact CG2-CD1 3.64Å; I983-I987 HydrophobicContact CG2-CG1 4.27Å; I983-I987 WeakPolarHBondContact O-CG1 3.49Å; I983-I987 PolarHBondContact O-N 3.46Å; C984-I987 PolarHBondContact O-N 3.28Å; I987-V989 PolarHBondContact O-N 3.47Å; I987-L990 CarbonylContact O-C 3.07Å; I987-L990 PolarHBondContact O-N 3.45Å; I987-K991 HydrophobicContact CG2-CD 3.8Å; I987-K991 WeakPolarHBondContact O-CD 3.42Å; I987-K991 VanDerWaalsContact O-CG 3.25Å; I987-K991 WeakPolarHBondContact O-CG 3.47Å; I987-K991 PolarHBondContact O-N 3.48Å
988N92.2Very high90.9Very high86 Ų8653.7 Ų53.746%0.4630%0.299SS..Hα-helixtrans-61.8-43.1175.6-70.3-12.1000111.9C984 K986 L990 K991 E992C984-N988 PolarHBondContact O-N 3.03Å; K986-N988 VanDerWaalsContact C-N 3.31Å; K986-N988 PolarHBondContact O-N 3.42Å; N988-L990 VanDerWaalsContact C-N 3.34Å; N988-L990 PolarHBondContact O-N 3.36Å; N988-K991 WeakPolarHBondContact O-CA 3.36Å; N988-K991 WeakPolarHBondContact O-CB 3.4Å; N988-K991 PolarHBondContact O-N 3.02Å; N988-E992 PolarHBondContact O-N 2.95Å
989V90.5Very high90.7Very high17 Ų1754.4 Ų54.410%0.10329%0.289CS..Hα-helixtrans-60.3-42.9174.7172.60000111.4H915 I917 A985 K986 I987 K991 E992 T993H915-V989 WeakPolarHBondContact ND1-CG1 3.22Å; H915-V989 VanDerWaalsContact NE2-CG2 3.27Å; H915-V989 WeakPolarHBondContact NE2-CG2 3.27Å; I917-V989 HydrophobicContact CD1-CG1 4.15Å; A985-V989 WeakPolarHBondContact O-CG2 3.07Å; K986-V989 WeakPolarHBondContact O-CB 3.21Å; K986-V989 PolarHBondContact O-N 3.38Å; I987-V989 PolarHBondContact O-N 3.47Å; V989-K991 PolarHBondContact O-N 3.41Å; V989-K991 VanDerWaalsContact O-N 3.12Å; V989-E992 PolarHBondContact O-N 3.02Å; V989-E992 VanDerWaalsContact O-N 3.09Å; V989-T993 PolarHBondContact O-N 3.08Å; V989-T993 PolarHBondContact O-OG1 2.63Å
990L89.6Confident90.4Very high2 Ų255.6 Ų55.61%0.0129%0.292CS..THydrogen-bonded Turntrans-68.5-2174-68.1175.6000114.6L922 P926 W929 F937 L961 L962 K986 I987 N988L922-L990 HydrophobicContact CD2-CD2 4.04Å; P926-L990 HydrophobicContact CB-CB 4.41Å; P926-L990 HydrophobicContact CG-CB 4.31Å; P926-L990 WeakPolarHBondContact CG-O 3.38Å; W929-L990 HydrophobicContact CH2-CD1 3.45Å; W929-L990 VanDerWaalsContact CH2-CD1 3.45Å; W929-L990 HydrophobicContact CH2-CD2 3.69Å; W929-L990 HydrophobicContact CH2-CG 4.23Å; W929-L990 HydrophobicContact CZ2-CD2 4.17Å; W929-L990 HydrophobicContact CZ3-CD1 3.66Å; F937-L990 HydrophobicContact CD2-CD1 4.37Å; F937-L990 HydrophobicContact CE1-CD1 3.88Å; F937-L990 HydrophobicContact CE2-CD1 3.66Å; F937-L990 HydrophobicContact CE2-CG 4.43Å; F937-L990 HydrophobicContact CZ-CD1 3.37Å; F937-L990 HydrophobicContact CZ-CG 4.33Å; L961-L990 HydrophobicContact CD2-CD1 4.36Å; L962-L990 HydrophobicContact CD2-CB 4.1Å; L962-L990 WeakPolarHBondContact CD2-O 3.27Å; K986-L990 WeakPolarHBondContact O-CG 3.25Å; K986-L990 PolarHBondContact O-N 3.34Å; I987-L990 CarbonylContact O-C 3.07Å; I987-L990 PolarHBondContact O-N 3.45Å; N988-L990 VanDerWaalsContact C-N 3.34Å; N988-L990 PolarHBondContact O-N 3.36Å
991K88.2Confident90Very high113 Ų11359.8 Ų59.849%0.49132%0.315SS..THydrogen-bonded Turntrans-108.5-7.5174-67.3162.868.1162.20112.3L962 I987 N988 V989L962-K991 HydrophobicContact CB-CD 4.45Å; L962-K991 HydrophobicContact CB-CG 4.36Å; L962-K991 HydrophobicContact CD2-CD 4.2Å; L962-K991 HydrophobicContact CD2-CG 3.47Å; L962-K991 VanDerWaalsContact CD2-CG 3.47Å; L962-K991 HydrophobicContact CG-CG 4.48Å; L962-K991 WeakPolarHBondContact O-CD 3.48Å; L962-K991 WeakPolarHBondContact O-CE 3.42Å; L962-K991 PolarHBondContact O-NZ 2.93Å; I987-K991 HydrophobicContact CG2-CD 3.8Å; I987-K991 WeakPolarHBondContact O-CD 3.42Å; I987-K991 VanDerWaalsContact O-CG 3.25Å; I987-K991 WeakPolarHBondContact O-CG 3.47Å; I987-K991 PolarHBondContact O-N 3.48Å; N988-K991 WeakPolarHBondContact O-CA 3.36Å; N988-K991 WeakPolarHBondContact O-CB 3.4Å; N988-K991 PolarHBondContact O-N 3.02Å; V989-K991 PolarHBondContact O-N 3.41Å; V989-K991 VanDerWaalsContact O-N 3.12Å
992E81.9Confident89.6Confident164 Ų16457.8 Ų57.877%0.76630%0.304SS*.THydrogen-bonded Turntrans-99.4-6.5172.8-68168.7-174.700111.4N988 V989N988-E992 PolarHBondContact O-N 2.95Å; V989-E992 PolarHBondContact O-N 3.02Å; V989-E992 VanDerWaalsContact O-N 3.09Å
993T68.9Low89.2Confident117 Ų11754.7 Ų54.772%0.71830%0.295SS*.  trans-108.50172.758.70000112.3V989V989-T993 PolarHBondContact O-N 3.08Å; V989-T993 PolarHBondContact O-OG1 2.63Å

Retrieved 993 of 993 residues in 798.4 ms (Link to these results)