A0A090N8I2_HUMAN Loading...

Ankyrin repeat and SOCS box protein 10

May be a substrate-recognition component of a SCF-like ECS (Elongin-Cullin-SOCS-box protein) E3 ubiquitin-protein ligase complex which mediates the ubiquitination and subsequent proteasomal degradation of target proteins.

AlphaFold DB , UniProt , Accession A0A090N8I2, Species HUMAN (Homo sapiens, Human), Gene ASB10, Length 429 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
1M30.2Very low25.5Very low250 Ų250169.1 Ų169.1100%1.23287%0.87SS**  0122.10-103.2168.3166.700107.3
2L23.5Very low25.5Very low162 Ų162160.7 Ų160.785%0.84886%0.856SS**  trans-65.9159.4-178.4-84.3135.1000112.8
3M22.4Very low25.6Very low173 Ų173163.7 Ų163.785%0.85286%0.862SS**  trans86.4131.4162.7-47.2-147.2175.500115.5
4S22.8Very low26.3Very low103 Ų103157.7 Ų157.772%0.7286%0.86SS**  cis-171.1122.1-7.3440000105.4
5W23Very low26.1Very low259 Ų259157.2 Ų157.298%0.98185%0.849SS**  trans-100124.2168.4-80.18.4000107.8
6S23.1Very low26.1Very low102 Ų102154.7 Ų154.771%0.71384%0.843SS**  trans-118.7119.7166.446.90000108.3E8S6-E8 PolarHBondContact O-N 3.07Å
7P27Very low26.3Very low129 Ų129156.4 Ų156.484%0.83885%0.85SS**  trans-81.699.5179.530.8-29.1000109.8
8E28.4Very low26.5Very low180 Ų180154.8 Ų154.884%0.84184%0.841SS**  trans-101.379.4164.2-83.4-92.7163.100107.3S6S6-E8 PolarHBondContact O-N 3.07Å
9E27.9Very low27.2Very low183 Ų183154 Ų15486%0.85584%0.836SS**  trans-165.2125.3160.5-108.6165-15700108.2
10C26.1Very low27.6Very low127 Ų127157 Ų15786%0.85883%0.834SS**  trans86.181.8177.9-560000117.9
11K26.3Very low28.4Very low192 Ų192155.4 Ų155.484%0.83582%0.822SS**  trans-140.199.2132.2-84.9-165.8177.6-175.40110.2
12G25.1Very low28.7Very low68 Ų68146.9 Ų146.970%0.70179%0.785SS**  trans-85.2159.4151.800000109.9
13Q27Very low29.5Very low200 Ų200145 Ų14594%0.93578%0.776SS**SBendtrans81.6110.4171.6-54.4-176.71.500117
14G35.4Very low30.9Very low80 Ų80139 Ų13983%0.82575%0.75SS**  trans61.183.2135.500000117.5
15E22.9Very low32.6Very low150 Ų150134.4 Ų134.470%0.70172%0.718SS**  trans-122.6133.9148.8-75.3-179.3-179.100107.5
16P26.7Very low34.5Very low117 Ų117125 Ų12576%0.7668%0.683SS**  trans-60.1147.8171.628.6-31.1000107.8D18P16-D18 VanDerWaalsContact C-N 3.34Å; P16-D18 PolarHBondContact O-N 2.88Å
17L29.6Very low36.6Very low184 Ų184121.5 Ų121.596%0.96366%0.656SS**  trans-46.3100.6173.9-79.2155.7000109.5
18D28.8Very low38.2Very low127 Ų127116.5 Ų116.568%0.67962%0.623SS**  trans-64.7140.7-175.2-16825.5000109.7P16 R20P16-D18 VanDerWaalsContact C-N 3.34Å; P16-D18 PolarHBondContact O-N 2.88Å; D18-R20 PolarHBondContact O-N 2.92Å
19D39.8Very low39.8Very low140 Ų140111.8 Ų111.875%0.74960%0.601SS**  trans-4296.4-173.8-78.2-46000114.4
20R35.7Very low40.8Very low213 Ų213110.5 Ų110.580%0.80459%0.592SS**  trans-127.4108.7164.9-65.2-168.4-177.9-168.12.6111.2D18D18-R20 PolarHBondContact O-N 2.92Å
21H44.7Very low41.3Very low124 Ų124108.9 Ų108.957%0.57458%0.58SS**  trans98.556.2170.1-48.6-54.9000119.2L23H21-L23 PolarHBondContact O-N 3.36Å
22P37.3Very low41.8Very low71 Ų71105 Ų10546%0.46158%0.577SS.*THydrogen-bonded Turntrans-71.9516628.8-32.1000115.1
23L40.3Very low42.4Very low124 Ų124114.2 Ų114.265%0.64959%0.591SS**THydrogen-bonded Turntrans-126.8-0.2-163.5-70.6171.1000116.9H21H21-L23 PolarHBondContact O-N 3.36Å
24C50.4Low42.5Very low47 Ų47107.9 Ų107.932%0.31858%0.579SS.*  trans-119.227.8-167.2-60.30000115.1R26C24-R26 PolarHBondContact O-N 3.17Å
25A58.3Low42.1Very low5 Ų5109.4 Ų109.44%0.04158%0.577CS.*PPolyproline II helixtrans-74.5128.1173.100000110.5A51 W59 F87 D88A25-A51 WeakPolarHBondContact O-CB 3.32Å; A25-A51 PolarHBondContact O-N 3.09Å; A25-W59 HydrophobicContact CB-CD2 4.04Å; A25-W59 HydrophobicContact CB-CG 3.89Å; A25-F87 HydrophobicContact CB-CB 4.43Å; A25-F87 HydrophobicContact CB-CD1 3.94Å; A25-D88 WeakPolarHBondContact CA-O 3.3Å
26R63.8Low43Very low62 Ų62111.6 Ų111.623%0.23459%0.587CS.*EExtended strand (participates in β ladder)trans-103.9129.1170.1-69.3176167.3166.3-0.6109.4C24 R49 T50 F87 D88C24-R26 PolarHBondContact O-N 3.17Å; R26-R49 CarbonylContact C-O 3.35Å; R26-R49 WeakPolarHBondContact CA-O 3.27Å; R26-R49 WeakPolarHBondContact CB-O 3.35Å; R26-T50 HydrophobicContact CG-CG2 4.45Å; R26-F87 CarbonylContact O-C 3.5Å; R26-F87 VanDerWaalsContact O-CA 3.25Å; R26-F87 WeakPolarHBondContact O-CA 3.47Å; R26-D88 HydrophobicContact CB-CB 4.19Å; R26-D88 PolarHBondContact N-O 3.02Å; R26-D88 PolarHBondContact O-N 2.99Å
27L67.1Low43.3Very low29 Ų29114.1 Ų114.115%0.15259%0.589CS.*EExtended strand (participates in β ladder)trans-77.2128173.9-178.167.3000109.3R49 A55 L81 F87L27-R49 PolarHBondContact N-O 3.33Å; L27-R49 PolarHBondContact O-N 3.02Å; L27-A55 HydrophobicContact CD2-CB 4.45Å; L27-L81 HydrophobicContact CD1-CD2 4.24Å; L27-L81 HydrophobicContact CD2-CD2 3.97Å; L27-F87 HydrophobicContact CB-CE1 4.33Å; L27-F87 HydrophobicContact CD1-CD1 4.4Å; L27-F87 HydrophobicContact CD1-CE1 3.96Å; L27-F87 HydrophobicContact CD1-CE2 4.33Å; L27-F87 HydrophobicContact CD1-CZ 3.91Å
28V61.3Low43.4Very low24 Ų24113.2 Ų113.215%0.14558%0.579CS.*EExtended strand (participates in β ladder)trans-86.8116.1173.4-179.30000109.1I46 T48 V86 D88 L116V28-I46 HydrophobicContact CG1-CG2 3.48Å; V28-I46 VanDerWaalsContact CG1-CG2 3.48Å; V28-T48 HydrophobicContact CG2-CG2 4.15Å; V28-V86 HydrophobicContact CB-CB 4.12Å; V28-V86 HydrophobicContact CB-CG1 4.38Å; V28-V86 HydrophobicContact CG2-CB 4.31Å; V28-V86 HydrophobicContact CG2-CG1 4.05Å; V28-V86 PolarHBondContact N-O 3.03Å; V28-D88 HydrophobicContact CG2-CB 4.36Å; V28-L116 HydrophobicContact CG2-CD2 3.88Å
29E61.6Low43.7Very low81 Ų81115.4 Ų115.438%0.37959%0.59SS.*EExtended strand (participates in β ladder)trans-85125.3174.5-70.4-179.3177.700109.8V47 R49E29-V47 PolarHBondContact N-O 2.98Å; E29-R49 VanDerWaalsContact CD-CD 3.45Å; E29-R49 WeakPolarHBondContact OE1-CD 3.46Å; E29-R49 IonicContact OE1-CZ 3.71Å; E29-R49 IonicContact OE1-NE 2.9Å; E29-R49 IonicContact OE1-NH1 2.71Å; E29-R49 PolarHBondContact OE1-NH1 3.26Å; E29-R49 IonicContact OE2-NH1 2.87Å
30K48.3Very low43.4Very low156 Ų156118.6 Ų118.668%0.67860%0.597SS**PPolyproline II helixtrans-74.5134.9169.4-71.9179-179.8170.70108.4S32K30-S32 PolarHBondContact O-N 3.39Å
31P38.1Very low43.2Very low93 Ų93113.8 Ų113.860%0.60460%0.596SS**PPolyproline II helixtrans-57.6125.1178.620.7-30.1000109.9R33P31-R33 PolarHBondContact O-N 3.06Å
32S35.7Very low42.8Very low110 Ų110110.6 Ų110.677%0.76960%0.597SS**PPolyproline II helixtrans-63120.4-179.745.70000110.1K30 G34K30-S32 PolarHBondContact O-N 3.39Å; S32-G34 VanDerWaalsContact C-N 3.33Å; S32-G34 PolarHBondContact O-N 3.43Å
33R37Very low42.8Very low262 Ų262113.7 Ų113.799%0.98962%0.617SS**  trans-73.991.7160.9-80.5-170.5177.3-174.3-0.2108.5P31P31-R33 PolarHBondContact O-N 3.06Å
34G29.1Very low42.6Very low66 Ų66109.6 Ų109.668%0.6861%0.605SS**  trans-171.7127.2164.900000106.8S32S32-G34 VanDerWaalsContact C-N 3.33Å; S32-G34 PolarHBondContact O-N 3.43Å
35S28.2Very low42.3Very low112 Ų112112.8 Ų112.878%0.78363%0.625SS**  cis-124167.312.541.90000110.2E37S35-E37 PolarHBondContact O-N 3.05Å
36E40.3Very low41.9Very low197 Ų197117.7 Ų117.792%0.92165%0.649SS**  trans-50.3102.2166.3-69.8-177.7152.300110.3
37E33.7Very low41.6Very low169 Ų169118.3 Ų118.379%0.7966%0.66SS**  trans-170.9131.7140.8-104.7172.4-169.400108.3S35S35-E37 PolarHBondContact O-N 3.05Å
38H31.1Very low41.1Very low165 Ų165119.4 Ų119.476%0.76467%0.668SS**  trans82.680.8179.9-51.7-32.5000116.9K40H38-K40 VanDerWaalsContact C-N 3.3Å; H38-K40 PolarHBondContact O-N 2.93Å
39L36.2Very low41.1Very low173 Ų173125.5 Ų125.591%0.90669%0.688SS**SBendtrans-52.797.2142.2-9381.4000108.7
40K33.8Very low41.3Very low208 Ų208126.3 Ų126.390%0.90470%0.699SS**  trans160.768153.1-88.5165.5-172.7-175.40109.6H38H38-K40 VanDerWaalsContact C-N 3.3Å; H38-K40 PolarHBondContact O-N 2.93Å
41S31Very low42.1Very low112 Ų112119.6 Ų119.678%0.78367%0.672SS**  trans-145.7131.4155.965.70000109
42G36.1Very low43.7Very low57 Ų57119.2 Ų119.259%0.58867%0.672SS**  trans-60.3174.9166.700000110.7G44G42-G44 PolarHBondContact O-N 3.46Å
43P37.6Very low46Very low135 Ų135116.5 Ų116.588%0.87766%0.662SS**SBendtrans-52.2120.6177.222.7-31.7000109.5
44G35.8Very low48Very low38 Ų38107 Ų10739%0.39263%0.634SS.*PPolyproline II helixtrans-60.8162.7176.800000111.7G42G42-G44 PolarHBondContact O-N 3.46Å
45P44.4Very low50.4Low115 Ų115104.2 Ų104.275%0.74760%0.604SS**PPolyproline II helixtrans-59.3142.2-177.725.3-33.8000111.6V47P45-V47 PolarHBondContact O-N 3.25Å
46I50.1Low52.8Low108 Ų108100.8 Ų100.855%0.55458%0.577SS**PPolyproline II helixtrans-63122.8173.7-60.3176.5000108.3V28V28-I46 HydrophobicContact CG1-CG2 3.48Å; V28-I46 VanDerWaalsContact CG1-CG2 3.48Å
47V56.7Low54.8Low74 Ų7493.4 Ų93.445%0.44855%0.55SS..EExtended strand (participates in β ladder)trans-104.7114.2177.6-176.80000109E29 P45 R49E29-V47 PolarHBondContact N-O 2.98Å; P45-V47 PolarHBondContact O-N 3.25Å; V47-R49 HydrophobicContact CG1-CG 4.48Å
48T57.5Low57.2Low52 Ų5285.4 Ų85.432%0.31951%0.512SS..EExtended strand (participates in β ladder)trans-96.7130.6173.557.90000110.2V28 D88V28-T48 HydrophobicContact CG2-CG2 4.15Å; T48-D88 HydrophobicContact CG2-CB 4.48Å
49R60.2Low59.7Low152 Ų15278.2 Ų78.257%0.57448%0.478SS*.EExtended strand (participates in β ladder)trans-117.1141171.6-62179.696.7173.36.8109.8R26 L27 E29 V47 A51R26-R49 CarbonylContact C-O 3.35Å; R26-R49 WeakPolarHBondContact CA-O 3.27Å; R26-R49 WeakPolarHBondContact CB-O 3.35Å; L27-R49 PolarHBondContact N-O 3.33Å; L27-R49 PolarHBondContact O-N 3.02Å; E29-R49 VanDerWaalsContact CD-CD 3.45Å; E29-R49 WeakPolarHBondContact OE1-CD 3.46Å; E29-R49 IonicContact OE1-CZ 3.71Å; E29-R49 IonicContact OE1-NE 2.9Å; E29-R49 IonicContact OE1-NH1 2.71Å; E29-R49 PolarHBondContact OE1-NH1 3.26Å; E29-R49 IonicContact OE2-NH1 2.87Å; V47-R49 HydrophobicContact CG1-CG 4.48Å; R49-A51 PolarHBondContact O-N 2.84Å
50T66.1Low61.9Low99 Ų9974 Ų7461%0.60745%0.454SS*.EExtended strand (participates in β ladder)trans-57.3123.3173.447.50000109.6R26 S52R26-T50 HydrophobicContact CG-CG2 4.45Å; T50-S52 PolarHBondContact O-N 3.33Å
51A66.4Low64.4Low15 Ų1564.4 Ų64.412%0.12441%0.414CS..  trans-60.9123.2179.800000109A25 R49 A55 L56 F87A25-A51 WeakPolarHBondContact O-CB 3.32Å; A25-A51 PolarHBondContact O-N 3.09Å; R49-A51 PolarHBondContact O-N 2.84Å; A51-A55 HydrophobicContact CB-CB 4.07Å; A51-L56 HydrophobicContact CB-CB 4.45Å; A51-F87 HydrophobicContact CB-CE1 4.39Å
52S71.5Confident67Low84 Ų8459.1 Ų59.159%0.58738%0.376SS*.  trans-139.3153179.955.70000109.8T50 P54 A55T50-S52 PolarHBondContact O-N 3.33Å; S52-P54 WeakPolarHBondContact O-CD 3.46Å; S52-A55 PolarHBondContact O-N 3.17Å
53G82.2Confident69.3Low54 Ų5457.7 Ų57.756%0.55736%0.355SS*.THydrogen-bonded Turntrans58.7-122.1-178.600000112.8A55 L56 A57G53-A55 VanDerWaalsContact C-N 3.3Å; G53-A55 PolarHBondContact O-N 3.24Å; G53-L56 PolarHBondContact O-N 3.27Å; G53-A57 PolarHBondContact O-N 3.28Å; G53-A57 VanDerWaalsContact O-N 3.15Å
54P80.7Confident71.7Confident62 Ų6254.8 Ų54.840%0.40334%0.343SS..Hα-helixtrans-64.4-30.2-174.425.7-33.2000113.6S52 F58 T79 L81S52-P54 WeakPolarHBondContact O-CD 3.46Å; P54-F58 VanDerWaalsContact O-CB 3.22Å; P54-F58 WeakPolarHBondContact O-CB 3.33Å; P54-F58 PolarHBondContact O-N 3.14Å; P54-T79 HydrophobicContact CB-CG2 3.7Å; P54-T79 HydrophobicContact CG-CG2 4.19Å; P54-L81 HydrophobicContact CB-CD1 4.42Å
55A78.5Confident74.1Confident8 Ų854 Ų547%0.06633%0.334CS..Hα-helixtrans-68.9-39.4178.800000112.5L27 A51 S52 G53 W59 L81L27-A55 HydrophobicContact CD2-CB 4.45Å; A51-A55 HydrophobicContact CB-CB 4.07Å; S52-A55 PolarHBondContact O-N 3.17Å; G53-A55 VanDerWaalsContact C-N 3.3Å; G53-A55 PolarHBondContact O-N 3.24Å; A55-W59 WeakPolarHBondContact O-CB 3.4Å; A55-W59 PolarHBondContact O-N 3.43Å; A55-L81 HydrophobicContact CB-CD1 4.45Å; A55-L81 HydrophobicContact CB-CD2 4.08Å
56L79.5Confident76.3Confident40 Ų4051.9 Ų51.921%0.20932%0.317CS..Hα-helixtrans-70.1-44.4176.2-175.869.4000110.9A51 G53 F58 W59 Q60A51-L56 HydrophobicContact CB-CB 4.45Å; G53-L56 PolarHBondContact O-N 3.27Å; L56-F58 VanDerWaalsContact C-N 3.28Å; L56-F58 PolarHBondContact O-N 3Å; L56-W59 PolarHBondContact O-N 2.83Å; L56-Q60 WeakPolarHBondContact O-CB 3.21Å; L56-Q60 WeakPolarHBondContact O-CG 3.41Å; L56-Q60 PolarHBondContact O-N 3.23Å
57A82.4Confident78.2Confident42 Ų4249.2 Ų49.235%0.34731%0.305SS..Hα-helixtrans-61.3-3917700000111.7G53 A61 I73G53-A57 PolarHBondContact O-N 3.28Å; G53-A57 VanDerWaalsContact O-N 3.15Å; A57-A61 VanDerWaalsContact O-CB 3.28Å; A57-A61 WeakPolarHBondContact O-CB 3.45Å; A57-A61 PolarHBondContact O-N 3.25Å; A57-I73 HydrophobicContact CB-CD1 4.15Å
58F84Confident79.7Confident0 Ų047.4 Ų47.40%030%0.302CS..Hα-helixtrans-62.7-48.8174.3-179.7-115.8000111.8P54 L56 Q60 A61 V62 V70 I73 L74 L81 F87 P119 L135P54-F58 VanDerWaalsContact O-CB 3.22Å; P54-F58 WeakPolarHBondContact O-CB 3.33Å; P54-F58 PolarHBondContact O-N 3.14Å; L56-F58 VanDerWaalsContact C-N 3.28Å; L56-F58 PolarHBondContact O-N 3Å; F58-Q60 PolarHBondContact O-N 2.6Å; F58-A61 PolarHBondContact O-N 2.85Å; F58-V62 HydrophobicContact CD2-CG2 4.49Å; F58-V62 HydrophobicContact CE1-CG2 4.44Å; F58-V62 HydrophobicContact CE2-CG2 4.2Å; F58-V62 HydrophobicContact CZ-CG2 4.17Å; F58-V62 WeakPolarHBondContact O-CG2 3.47Å; F58-V62 PolarHBondContact O-N 3.39Å; F58-V70 HydrophobicContact CE2-CG1 3.99Å; F58-I73 HydrophobicContact CB-CD1 4.09Å; F58-I73 HydrophobicContact CB-CG2 4.01Å; F58-I73 HydrophobicContact CD2-CB 4.23Å; F58-I73 HydrophobicContact CD2-CG2 4.04Å; F58-I73 HydrophobicContact CG-CG2 4.32Å; F58-L74 HydrophobicContact CD2-CG 4.49Å; F58-L74 HydrophobicContact CE2-CD1 3.92Å; F58-L74 HydrophobicContact CE2-CD2 3.82Å; F58-L74 HydrophobicContact CE2-CG 3.64Å; F58-L74 HydrophobicContact CZ-CD1 4.26Å; F58-L74 HydrophobicContact CZ-CD2 3.89Å; F58-L74 HydrophobicContact CZ-CG 4.16Å; F58-L81 HydrophobicContact CB-CD1 3.9Å; F58-L81 HydrophobicContact CD1-CD1 4.36Å; F58-L81 HydrophobicContact CG-CD1 4.18Å; F58-F87 HydrophobicContact CD1-CE2 4.13Å; F58-F87 AromaticContact CD1-CZ 3.96Å; F58-F87 HydrophobicContact CD1-CZ 3.96Å; F58-F87 HydrophobicContact CE1-CE2 4.18Å; F58-F87 HydrophobicContact CE1-CZ 4.44Å; F58-P119 HydrophobicContact CD1-CG 4.47Å; F58-P119 HydrophobicContact CE1-CB 4.17Å; F58-P119 HydrophobicContact CE1-CG 3.38Å; F58-P119 HydrophobicContact CZ-CB 4.13Å; F58-P119 HydrophobicContact CZ-CG 3.76Å; F58-L135 HydrophobicContact CZ-CD2 4.45Å
59W82.3Confident81.1Confident14 Ų1446.4 Ų46.45%0.05330%0.297CS..Hα-helixtrans-59.3-46.8177.8-175.6-111.6000112A25 A55 L56 A61 V62 L63 F87 T89 T117 V122A25-W59 HydrophobicContact CB-CD2 4.04Å; A25-W59 HydrophobicContact CB-CG 3.89Å; A55-W59 WeakPolarHBondContact O-CB 3.4Å; A55-W59 PolarHBondContact O-N 3.43Å; L56-W59 PolarHBondContact O-N 2.83Å; W59-A61 VanDerWaalsContact C-N 3.34Å; W59-A61 PolarHBondContact O-N 2.98Å; W59-V62 PolarHBondContact O-N 3.26Å; W59-L63 HydrophobicContact CG-CD1 4.38Å; W59-L63 HydrophobicContact CZ2-CD2 4.36Å; W59-L63 WeakPolarHBondContact O-CB 3.21Å; W59-L63 VanDerWaalsContact O-CG 3.3Å; W59-L63 WeakPolarHBondContact O-CG 3.47Å; W59-L63 PolarHBondContact O-N 3.27Å; W59-F87 HydrophobicContact CB-CE1 4.38Å; W59-F87 HydrophobicContact CD2-CD1 4.45Å; W59-F87 HydrophobicContact CD2-CG 4.34Å; W59-F87 HydrophobicContact CE3-CB 4.09Å; W59-F87 HydrophobicContact CE3-CD1 4.14Å; W59-F87 AromaticContact CE3-CD2 3.6Å; W59-F87 HydrophobicContact CE3-CD2 3.6Å; W59-F87 HydrophobicContact CE3-CE1 4.49Å; W59-F87 HydrophobicContact CE3-CE2 4.02Å; W59-F87 AromaticContact CE3-CG 3.67Å; W59-F87 HydrophobicContact CE3-CG 3.67Å; W59-F87 HydrophobicContact CE3-CZ 4.44Å; W59-F87 HydrophobicContact CH2-CB 4.13Å; W59-F87 HydrophobicContact CZ3-CB 3.8Å; W59-F87 AromaticContact CZ3-CD2 3.69Å; W59-F87 HydrophobicContact CZ3-CD2 3.69Å; W59-F87 HydrophobicContact CZ3-CE2 4.46Å; W59-F87 AromaticContact CZ3-CG 3.81Å; W59-F87 HydrophobicContact CZ3-CG 3.81Å; W59-T89 HydrophobicContact CH2-CG2 4.05Å; W59-T89 HydrophobicContact CZ2-CG2 3.59Å; W59-T117 WeakPolarHBondContact CH2-OG1 3.22Å; W59-V122 HydrophobicContact CH2-CG2 3.24Å; W59-V122 HydrophobicContact CZ2-CG2 3.97Å; W59-V122 HydrophobicContact CZ3-CG2 3.66Å
60Q83.8Confident82.4Confident85 Ų8539.1 Ų39.140%0.39727%0.269SS..Hα-helixtrans-61.8-39.8176.3-72.4175.8-18.100112.5L56 F58 L63 A64L56-Q60 WeakPolarHBondContact O-CB 3.21Å; L56-Q60 WeakPolarHBondContact O-CG 3.41Å; L56-Q60 PolarHBondContact O-N 3.23Å; F58-Q60 PolarHBondContact O-N 2.6Å; Q60-L63 PolarHBondContact O-N 3.44Å; Q60-A64 WeakPolarHBondContact O-CB 3.25Å; Q60-A64 PolarHBondContact O-N 2.98Å
61A86.4Confident83.5Confident7 Ų736.5 Ų36.56%0.05826%0.255CS..Hα-helixtrans-64.5-40.8176.500000112A57 F58 W59 A64 G65 D66 C69 V70A57-A61 VanDerWaalsContact O-CB 3.28Å; A57-A61 WeakPolarHBondContact O-CB 3.45Å; A57-A61 PolarHBondContact O-N 3.25Å; F58-A61 PolarHBondContact O-N 2.85Å; W59-A61 VanDerWaalsContact C-N 3.34Å; W59-A61 PolarHBondContact O-N 2.98Å; A61-A64 PolarHBondContact O-N 3.44Å; A61-G65 PolarHBondContact O-N 2.93Å; A61-D66 HydrophobicContact CB-CB 4.43Å; A61-D66 PolarHBondContact O-N 3.02Å; A61-C69 HydrophobicContact CB-CB 3.53Å; A61-V70 HydrophobicContact CB-CG2 3.82Å
62V85.9Confident84.5Confident0 Ų043.8 Ų43.80%028%0.279CS..Hα-helixtrans-65.3-42.8175.1175.60000110.8F58 W59 A64 G65 V70 P119 V122 H128F58-V62 HydrophobicContact CD2-CG2 4.49Å; F58-V62 HydrophobicContact CE1-CG2 4.44Å; F58-V62 HydrophobicContact CE2-CG2 4.2Å; F58-V62 HydrophobicContact CZ-CG2 4.17Å; F58-V62 WeakPolarHBondContact O-CG2 3.47Å; F58-V62 PolarHBondContact O-N 3.39Å; W59-V62 PolarHBondContact O-N 3.26Å; V62-A64 VanDerWaalsContact C-N 3.33Å; V62-A64 PolarHBondContact O-N 3.11Å; V62-G65 PolarHBondContact O-N 3.33Å; V62-V70 HydrophobicContact CG2-CG2 3.79Å; V62-P119 HydrophobicContact CG1-CB 4.21Å; V62-P119 HydrophobicContact CG2-CB 4.03Å; V62-V122 HydrophobicContact CG1-CB 3.88Å; V62-V122 HydrophobicContact CG1-CG1 3.87Å; V62-H128 PolarHBondContact O-CD2 3.07Å; V62-H128 VanDerWaalsContact O-CD2 3.24Å
63L84.3Confident85.2Confident27 Ų2741 Ų4114%0.14126%0.257CS..Hα-helixtrans-59.7-43.5175.7-73.9175.7000111.9W59 Q60 G65 V122 R126 H128W59-L63 HydrophobicContact CG-CD1 4.38Å; W59-L63 HydrophobicContact CZ2-CD2 4.36Å; W59-L63 WeakPolarHBondContact O-CB 3.21Å; W59-L63 VanDerWaalsContact O-CG 3.3Å; W59-L63 WeakPolarHBondContact O-CG 3.47Å; W59-L63 PolarHBondContact O-N 3.27Å; Q60-L63 PolarHBondContact O-N 3.44Å; L63-G65 VanDerWaalsContact C-N 3.32Å; L63-V122 HydrophobicContact CD2-CG1 3.67Å; L63-V122 HydrophobicContact CG-CG1 4.46Å; L63-R126 VanDerWaalsContact C-NH1 3.31Å; L63-R126 VanDerWaalsContact CB-NH1 3.27Å; L63-R126 PolarHBondContact O-NH1 3.2Å; L63-H128 PolarHBondContact O-NE2 2.98Å
64A86.1Confident85.3Confident75 Ų7539.3 Ų39.362%0.6224%0.236SC*.Hα-helixtrans-77.4-14.1179.800000113.9Q60 A61 V62 D66Q60-A64 WeakPolarHBondContact O-CB 3.25Å; Q60-A64 PolarHBondContact O-N 2.98Å; A61-A64 PolarHBondContact O-N 3.44Å; V62-A64 VanDerWaalsContact C-N 3.33Å; V62-A64 PolarHBondContact O-N 3.11Å; A64-D66 VanDerWaalsContact C-N 3.34Å
65G86.4Confident85.5Confident20 Ų2039.6 Ų39.621%0.20624%0.243CC..THydrogen-bonded Turntrans76.318.2-174.300000114A61 V62 L63 V67 H128A61-G65 PolarHBondContact O-N 2.93Å; V62-G65 PolarHBondContact O-N 3.33Å; L63-G65 VanDerWaalsContact C-N 3.32Å; G65-V67 PolarHBondContact O-N 3.05Å; G65-H128 PolarHBondContact N-NE2 3.49Å
66D90.4Very high85.8Confident72 Ų7242.9 Ų42.939%0.38526%0.26SS..  trans-78.292.3-178.4-174.2-16.2000111.5A61 A64 G68 C69 V70A61-D66 HydrophobicContact CB-CB 4.43Å; A61-D66 PolarHBondContact O-N 3.02Å; A64-D66 VanDerWaalsContact C-N 3.34Å; D66-G68 PolarHBondContact O-N 3.32Å; D66-G68 WeakPolarHBondContact OD1-CA 3.3Å; D66-G68 PolarHBondContact OD1-N 3.41Å; D66-C69 HydrophobicContact CB-CB 4.12Å; D66-C69 PolarHBondContact O-N 3.32Å; D66-C69 PolarHBondContact OD1-N 3.49Å; D66-C69 PolarHBondContact OD2-SG 2.99Å; D66-V70 WeakPolarHBondContact O-CB 3.32Å; D66-V70 VanDerWaalsContact O-CG2 3.26Å; D66-V70 WeakPolarHBondContact O-CG2 3.41Å; D66-V70 PolarHBondContact O-N 3.42Å
67V90.6Very high85.3Confident51 Ų5146.8 Ų46.831%0.30929%0.29SS..Hα-helixtrans-57.5-35.8177.8-171.90000112.1G65 S71 E130 V131 L134G65-V67 PolarHBondContact O-N 3.05Å; V67-S71 VanDerWaalsContact O-CB 3.26Å; V67-S71 WeakPolarHBondContact O-CB 3.46Å; V67-S71 PolarHBondContact O-N 3.19Å; V67-E130 HydrophobicContact CG2-CB 3.56Å; V67-V131 HydrophobicContact CG2-CG2 3.81Å; V67-L134 HydrophobicContact CG1-CD1 3.72Å
68G88Confident84.8Confident37 Ų3749.4 Ų49.438%0.38131%0.306SS..Hα-helixtrans-69.9-45.1-17700000111.9D66 R72D66-G68 PolarHBondContact O-N 3.32Å; D66-G68 WeakPolarHBondContact OD1-CA 3.3Å; D66-G68 PolarHBondContact OD1-N 3.41Å; G68-R72 WeakPolarHBondContact O-CG 3.15Å; G68-R72 PolarHBondContact O-N 3.34Å; G68-R72 VanDerWaalsContact O-N 3.15Å; G68-R72 PolarHBondContact O-NE 3.22Å
69C87.1Confident84.2Confident30 Ų3050.8 Ų50.820%0.20332%0.315CS..Hα-helixtrans-63-48172.4-78.70000111.7A61 D66 S71 R72 I73A61-C69 HydrophobicContact CB-CB 3.53Å; D66-C69 HydrophobicContact CB-CB 4.12Å; D66-C69 PolarHBondContact O-N 3.32Å; D66-C69 PolarHBondContact OD1-N 3.49Å; D66-C69 PolarHBondContact OD2-SG 2.99Å; C69-S71 VanDerWaalsContact C-N 3.33Å; C69-S71 PolarHBondContact O-N 3.49Å; C69-R72 PolarHBondContact O-N 2.93Å; C69-R72 PolarHBondContact SG-NH2 2.88Å; C69-I73 WeakPolarHBondContact O-CG1 3.48Å; C69-I73 PolarHBondContact O-N 2.95Å
70V87.4Confident83.8Confident0 Ų053.4 Ų53.40%035%0.346CS..Hα-helixtrans-57.4-45.8178.4170.10000111.1F58 A61 V62 D66 R72 L74 V131 L134F58-V70 HydrophobicContact CE2-CG1 3.99Å; A61-V70 HydrophobicContact CB-CG2 3.82Å; V62-V70 HydrophobicContact CG2-CG2 3.79Å; D66-V70 WeakPolarHBondContact O-CB 3.32Å; D66-V70 VanDerWaalsContact O-CG2 3.26Å; D66-V70 WeakPolarHBondContact O-CG2 3.41Å; D66-V70 PolarHBondContact O-N 3.42Å; V70-R72 PolarHBondContact O-N 3.09Å; V70-L74 HydrophobicContact CG1-CD1 3.86Å; V70-L74 WeakPolarHBondContact O-CB 3.31Å; V70-L74 WeakPolarHBondContact O-CG 3.28Å; V70-L74 PolarHBondContact O-N 3.15Å; V70-V131 HydrophobicContact CG1-CG1 4.39Å; V70-V131 HydrophobicContact CG2-CG1 4.38Å; V70-L134 HydrophobicContact CG1-CD2 3.85Å
71S89.3Confident83.5Confident44 Ų4450.3 Ų50.331%0.30833%0.332SS..Hα-helixtrans-62.9-42.5179.6-170.30000112.8V67 C69 A75V67-S71 VanDerWaalsContact O-CB 3.26Å; V67-S71 WeakPolarHBondContact O-CB 3.46Å; V67-S71 PolarHBondContact O-N 3.19Å; C69-S71 VanDerWaalsContact C-N 3.33Å; C69-S71 PolarHBondContact O-N 3.49Å; S71-A75 WeakPolarHBondContact O-CB 3.49Å; S71-A75 PolarHBondContact O-N 3.04Å; S71-A75 VanDerWaalsContact O-N 3.09Å
72R87.6Confident83.3Confident168 Ų16852 Ų5263%0.63435%0.346SS*.Hα-helixtrans-66.2-46.4-179.8-77.3-175.8-67.1128.9-7.3111.2G68 C69 V70 A75 D76G68-R72 WeakPolarHBondContact O-CG 3.15Å; G68-R72 PolarHBondContact O-N 3.34Å; G68-R72 VanDerWaalsContact O-N 3.15Å; G68-R72 PolarHBondContact O-NE 3.22Å; C69-R72 PolarHBondContact O-N 2.93Å; C69-R72 PolarHBondContact SG-NH2 2.88Å; V70-R72 PolarHBondContact O-N 3.09Å; R72-A75 PolarHBondContact O-N 3.26Å; R72-D76 PolarHBondContact O-N 2.88Å
73I85.6Confident82.9Confident25 Ų2553 Ų5313%0.12835%0.352CS..Hα-helixtrans-66.3-42.3-178.3-63.1166.2000110.9A57 F58 C69 A75 D76 T79 L81A57-I73 HydrophobicContact CB-CD1 4.15Å; F58-I73 HydrophobicContact CB-CD1 4.09Å; F58-I73 HydrophobicContact CB-CG2 4.01Å; F58-I73 HydrophobicContact CD2-CB 4.23Å; F58-I73 HydrophobicContact CD2-CG2 4.04Å; F58-I73 HydrophobicContact CG-CG2 4.32Å; C69-I73 WeakPolarHBondContact O-CG1 3.48Å; C69-I73 PolarHBondContact O-N 2.95Å; I73-A75 PolarHBondContact O-N 3.48Å; I73-D76 PolarHBondContact O-N 3.26Å; I73-T79 HydrophobicContact CG2-CG2 4.37Å; I73-T79 PolarHBondContact O-OG1 3.38Å; I73-L81 HydrophobicContact CG2-CD1 3.78Å
74L84.8Confident82.7Confident19 Ų1953 Ų5310%0.09935%0.353CS..Hα-helixtrans-72.1-14.5176-70.1173.3000114F58 V70 L134 L135 R138F58-L74 HydrophobicContact CD2-CG 4.49Å; F58-L74 HydrophobicContact CE2-CD1 3.92Å; F58-L74 HydrophobicContact CE2-CD2 3.82Å; F58-L74 HydrophobicContact CE2-CG 3.64Å; F58-L74 HydrophobicContact CZ-CD1 4.26Å; F58-L74 HydrophobicContact CZ-CD2 3.89Å; F58-L74 HydrophobicContact CZ-CG 4.16Å; V70-L74 HydrophobicContact CG1-CD1 3.86Å; V70-L74 WeakPolarHBondContact O-CB 3.31Å; V70-L74 WeakPolarHBondContact O-CG 3.28Å; V70-L74 PolarHBondContact O-N 3.15Å; L74-L134 HydrophobicContact CD1-CD2 3.75Å; L74-L135 HydrophobicContact CD1-CD2 3.82Å; L74-R138 PolarHBondContact O-NH1 3.23Å
75A85.2Confident82.5Confident68 Ų6850.2 Ų50.256%0.56233%0.328SS*.Hα-helixtrans-83.3-24.1173.500000111.8S71 R72 I73 S77S71-A75 WeakPolarHBondContact O-CB 3.49Å; S71-A75 PolarHBondContact O-N 3.04Å; S71-A75 VanDerWaalsContact O-N 3.09Å; R72-A75 PolarHBondContact O-N 3.26Å; I73-A75 PolarHBondContact O-N 3.48Å; A75-S77 PolarHBondContact O-N 3.36Å
76D83.8Confident82.1Confident77 Ų7750.1 Ų50.141%0.41232%0.323SS..  trans-83.4100.8-179.9-169.7-9.6000110.8R72 I73 S78 T79R72-D76 PolarHBondContact O-N 2.88Å; I73-D76 PolarHBondContact O-N 3.26Å; D76-S78 PolarHBondContact O-N 3.19Å; D76-S78 VanDerWaalsContact O-N 3.14Å; D76-S78 VanDerWaalsContact OD1-CB 3.25Å; D76-S78 WeakPolarHBondContact OD1-CB 3.21Å; D76-S78 PolarHBondContact OD1-N 2.87Å; D76-S78 PolarHBondContact OD1-OG 2.92Å; D76-S78 PolarHBondContact OD2-OG 3.04Å; D76-T79 HydrophobicContact CB-CG2 4.01Å; D76-T79 PolarHBondContact O-N 3.07Å; D76-T79 PolarHBondContact O-OG1 3.17Å
77S70.6Confident81.3Confident121 Ų12146.7 Ų46.785%0.84631%0.305SS*.G310 helixtrans-63.3-15.4178.555.10000113.6A75 T79A75-S77 PolarHBondContact O-N 3.36Å; S77-T79 PolarHBondContact O-N 3.47Å
78S71.3Confident80.5Confident97 Ų9744.9 Ų44.968%0.67829%0.294SS*.G310 helixtrans-73.3-17.3178.573.60000113.3D76D76-S78 PolarHBondContact O-N 3.19Å; D76-S78 VanDerWaalsContact O-N 3.14Å; D76-S78 VanDerWaalsContact OD1-CB 3.25Å; D76-S78 WeakPolarHBondContact OD1-CB 3.21Å; D76-S78 PolarHBondContact OD1-N 2.87Å; D76-S78 PolarHBondContact OD1-OG 2.92Å; D76-S78 PolarHBondContact OD2-OG 3.04Å
79T72.2Confident79.6Confident30 Ų3045 Ų4518%0.18429%0.287CS..G310 helixtrans-80.2-18.8-176.464.10000113.7P54 I73 D76 S77 L81P54-T79 HydrophobicContact CB-CG2 3.7Å; P54-T79 HydrophobicContact CG-CG2 4.19Å; I73-T79 HydrophobicContact CG2-CG2 4.37Å; I73-T79 PolarHBondContact O-OG1 3.38Å; D76-T79 HydrophobicContact CB-CG2 4.01Å; D76-T79 PolarHBondContact O-N 3.07Å; D76-T79 PolarHBondContact O-OG1 3.17Å; S77-T79 PolarHBondContact O-N 3.47Å; T79-L81 PolarHBondContact O-N 3.33Å; T79-L81 VanDerWaalsContact O-N 3.15Å
80G73Confident78.5Confident69 Ų6944.3 Ų44.371%0.71128%0.283SS*.  trans65.49.1-17700000114.8
81L78Confident77Confident20 Ų2047.3 Ų47.311%0.10530%0.299CS..  trans-86.5132-178.3-67167000110.9L27 P54 A55 F58 I73 T79L27-L81 HydrophobicContact CD1-CD2 4.24Å; L27-L81 HydrophobicContact CD2-CD2 3.97Å; P54-L81 HydrophobicContact CB-CD1 4.42Å; A55-L81 HydrophobicContact CB-CD1 4.45Å; A55-L81 HydrophobicContact CB-CD2 4.08Å; F58-L81 HydrophobicContact CB-CD1 3.9Å; F58-L81 HydrophobicContact CD1-CD1 4.36Å; F58-L81 HydrophobicContact CG-CD1 4.18Å; I73-L81 HydrophobicContact CG2-CD1 3.78Å; T79-L81 PolarHBondContact O-N 3.33Å; T79-L81 VanDerWaalsContact O-N 3.15Å
82A80.8Confident75.3Confident42 Ų4247.6 Ų47.635%0.34730%0.299SS..  trans-106.3155.6173.500000109.5D84 S85A82-D84 PolarHBondContact O-N 3.47Å; A82-S85 PolarHBondContact N-OG 2.85Å; A82-S85 WeakPolarHBondContact O-CB 3.32Å; A82-S85 PolarHBondContact O-N 3.42Å; A82-S85 PolarHBondContact O-OG 3.03Å
83P79.6Confident73.6Confident20 Ų2044.6 Ų44.613%0.1329%0.293CS..THydrogen-bonded Turntrans-62.1-22171.327.7-35.3000112.6L135 R138 A140P83-L135 HydrophobicContact CB-CD2 3.83Å; P83-R138 HydrophobicContact CB-CB 4.39Å; P83-R138 HydrophobicContact CG-CB 4.1Å; P83-R138 WeakPolarHBondContact CG-O 3.43Å; P83-A140 HydrophobicContact CB-CB 4.05Å
84D79.8Confident71.9Confident29 Ų2951.1 Ų51.116%0.15532%0.316CS..THydrogen-bonded Turntrans-92.111.7174.2-68.4-23.7000113.5A82 V86 A140 R141A82-D84 PolarHBondContact O-N 3.47Å; D84-V86 PolarHBondContact O-N 3.37Å; D84-A140 WeakPolarHBondContact OD1-CA 3.43Å; D84-R141 PolarHBondContact OD1-N 3.01Å
85S81.8Confident70Confident15 Ų1556.3 Ų56.311%0.10533%0.334CS..  trans-57.9132.1175.2-76.70000110.2A82 P119A82-S85 PolarHBondContact N-OG 2.85Å; A82-S85 WeakPolarHBondContact O-CB 3.32Å; A82-S85 PolarHBondContact O-N 3.42Å; A82-S85 PolarHBondContact O-OG 3.03Å; S85-P119 WeakPolarHBondContact O-CD 3.15Å
86V78.4Confident68Low18 Ų1859.5 Ų59.511%0.10933%0.332CS..EExtended strand (participates in β ladder)trans-98.7130.1-179.2-178.80000108.5V28 D84 L116 T118 P146V28-V86 HydrophobicContact CB-CB 4.12Å; V28-V86 HydrophobicContact CB-CG1 4.38Å; V28-V86 HydrophobicContact CG2-CB 4.31Å; V28-V86 HydrophobicContact CG2-CG1 4.05Å; V28-V86 PolarHBondContact N-O 3.03Å; D84-V86 PolarHBondContact O-N 3.37Å; V86-L116 HydrophobicContact CG1-CB 3.79Å; V86-L116 HydrophobicContact CG1-CD2 3.95Å; V86-L116 HydrophobicContact CG1-CG 4.31Å; V86-T118 HydrophobicContact CG2-CG2 4.21Å; V86-P146 HydrophobicContact CG1-CB 3.93Å; V86-P146 HydrophobicContact CG1-CG 4.2Å; V86-P146 HydrophobicContact CG2-CB 4.08Å; V86-P146 HydrophobicContact CG2-CG 4.3Å
87F73.5Confident66.2Low0 Ų062 Ų620%035%0.345CS..EExtended strand (participates in β ladder)trans-111.9131.2175.8-68.3-89.9000109.1A25 R26 L27 A51 F58 W59 T117 P119A25-F87 HydrophobicContact CB-CB 4.43Å; A25-F87 HydrophobicContact CB-CD1 3.94Å; R26-F87 CarbonylContact O-C 3.5Å; R26-F87 VanDerWaalsContact O-CA 3.25Å; R26-F87 WeakPolarHBondContact O-CA 3.47Å; L27-F87 HydrophobicContact CB-CE1 4.33Å; L27-F87 HydrophobicContact CD1-CD1 4.4Å; L27-F87 HydrophobicContact CD1-CE1 3.96Å; L27-F87 HydrophobicContact CD1-CE2 4.33Å; L27-F87 HydrophobicContact CD1-CZ 3.91Å; A51-F87 HydrophobicContact CB-CE1 4.39Å; F58-F87 HydrophobicContact CD1-CE2 4.13Å; F58-F87 AromaticContact CD1-CZ 3.96Å; F58-F87 HydrophobicContact CD1-CZ 3.96Å; F58-F87 HydrophobicContact CE1-CE2 4.18Å; F58-F87 HydrophobicContact CE1-CZ 4.44Å; W59-F87 HydrophobicContact CB-CE1 4.38Å; W59-F87 HydrophobicContact CD2-CD1 4.45Å; W59-F87 HydrophobicContact CD2-CG 4.34Å; W59-F87 HydrophobicContact CE3-CB 4.09Å; W59-F87 HydrophobicContact CE3-CD1 4.14Å; W59-F87 AromaticContact CE3-CD2 3.6Å; W59-F87 HydrophobicContact CE3-CD2 3.6Å; W59-F87 HydrophobicContact CE3-CE1 4.49Å; W59-F87 HydrophobicContact CE3-CE2 4.02Å; W59-F87 AromaticContact CE3-CG 3.67Å; W59-F87 HydrophobicContact CE3-CG 3.67Å; W59-F87 HydrophobicContact CE3-CZ 4.44Å; W59-F87 HydrophobicContact CH2-CB 4.13Å; W59-F87 HydrophobicContact CZ3-CB 3.8Å; W59-F87 AromaticContact CZ3-CD2 3.69Å; W59-F87 HydrophobicContact CZ3-CD2 3.69Å; W59-F87 HydrophobicContact CZ3-CE2 4.46Å; W59-F87 AromaticContact CZ3-CG 3.81Å; W59-F87 HydrophobicContact CZ3-CG 3.81Å; F87-T117 PolarHBondContact N-O 3.25Å; F87-T117 PolarHBondContact O-N 2.99Å; F87-T117 PolarHBondContact O-OG1 2.95Å; F87-P119 HydrophobicContact CE2-CG 4.13Å
88D72.9Confident65Low13 Ų1360.9 Ų60.97%0.0733%0.325CS..EExtended strand (participates in β ladder)trans-91.2117.9169.2169.917.3000108.1A25 R26 V28 T48 S90 L116A25-D88 WeakPolarHBondContact CA-O 3.3Å; R26-D88 HydrophobicContact CB-CB 4.19Å; R26-D88 PolarHBondContact N-O 3.02Å; R26-D88 PolarHBondContact O-N 2.99Å; V28-D88 HydrophobicContact CG2-CB 4.36Å; T48-D88 HydrophobicContact CG2-CB 4.48Å; D88-S90 VanDerWaalsContact CG-OG 3.31Å; D88-S90 WeakPolarHBondContact OD1-CB 3.26Å; D88-S90 PolarHBondContact OD1-N 3.18Å; D88-S90 PolarHBondContact OD1-OG 3.15Å; D88-S90 PolarHBondContact OD2-OG 3.37Å; D88-L116 HydrophobicContact CB-CD2 3.92Å
89T68.2Low63.7Low41 Ų4165 Ų6525%0.25233%0.325SS..  trans-100.36.9179.353.10000113.5W59 E115W59-T89 HydrophobicContact CH2-CG2 4.05Å; W59-T89 HydrophobicContact CZ2-CG2 3.59Å; T89-E115 PolarHBondContact N-O 3.28Å; T89-E115 VanDerWaalsContact N-O 3.14Å; T89-E115 VanDerWaalsContact OG1-CB 3.28Å; T89-E115 WeakPolarHBondContact OG1-CB 3.46Å; T89-E115 PolarHBondContact OG1-O 3.04Å; T89-E115 PolarHBondContact OG1-OE2 2.96Å
90S64.7Low62.2Low15 Ų1572.6 Ų72.611%0.10536%0.356CS..  trans-61144.7-176.363.70000113.7D88 P92D88-S90 VanDerWaalsContact CG-OG 3.31Å; D88-S90 WeakPolarHBondContact OD1-CB 3.26Å; D88-S90 PolarHBondContact OD1-N 3.18Å; D88-S90 PolarHBondContact OD1-OG 3.15Å; D88-S90 PolarHBondContact OD2-OG 3.37Å; S90-P92 WeakPolarHBondContact O-CD 3.39Å
91D56.8Low60.5Low63 Ų6374.1 Ų74.134%0.33735%0.348SS..  trans-68.1121.1-178.9-174.1-6.2000111.8E93 R94D91-E93 VanDerWaalsContact C-N 3.26Å; D91-E93 PolarHBondContact O-N 3.18Å; D91-E93 PolarHBondContact OD1-N 2.62Å; D91-R94 PolarHBondContact O-N 3.05Å
92P53.1Low58.6Low49 Ų4979.5 Ų79.532%0.31838%0.376SS..THydrogen-bonded Turntrans-65.2-19.517725.5-34.3000114.9S90 W95S90-P92 WeakPolarHBondContact O-CD 3.39Å; P92-W95 WeakPolarHBondContact O-CB 3.35Å; P92-W95 PolarHBondContact O-N 3.1Å
93E52.8Low56.5Low106 Ų10688.6 Ų88.650%0.49540%0.401SS..THydrogen-bonded Turntrans-70.6-38.4175.9-70.4-107.2145.700111.6D91 W95 R96D91-E93 VanDerWaalsContact C-N 3.26Å; D91-E93 PolarHBondContact O-N 3.18Å; D91-E93 PolarHBondContact OD1-N 2.62Å; E93-W95 PolarHBondContact O-N 3.2Å; E93-W95 VanDerWaalsContact O-N 3.16Å; E93-R96 WeakPolarHBondContact O-CB 3.36Å; E93-R96 PolarHBondContact O-N 3.08Å; E93-R96 IonicContact OE1-CZ 3.94Å; E93-R96 IonicContact OE1-NH1 3.17Å; E93-R96 PolarHBondContact OE1-NH1 2.98Å; E93-R96 IonicContact OE1-NH2 3.86Å; E93-R96 PolarHBondContact OE1-NH2 3.32Å; E93-R96 IonicContact OE2-NH1 3.9Å
94R48.4Very low54.7Low161 Ų16190.7 Ų90.761%0.60842%0.42SS*.Hα-helixtrans-56.6-31.9173.3-93.6-179.9170.5178-2.7112.2D91 R96 D97 F98D91-R94 PolarHBondContact O-N 3.05Å; R94-R96 VanDerWaalsContact C-N 3.28Å; R94-R96 PolarHBondContact O-N 2.95Å; R94-D97 PolarHBondContact O-N 2.86Å; R94-F98 HydrophobicContact CB-CE2 4.45Å; R94-F98 WeakPolarHBondContact O-CD2 3.4Å; R94-F98 WeakPolarHBondContact O-CE2 3.42Å
95W44.9Very low52.8Low128 Ų12895.2 Ų95.249%0.48544%0.444SS..Hα-helixtrans-64.6-26176.3-113.365.2000114.1P92 E93 Y112P92-W95 WeakPolarHBondContact O-CB 3.35Å; P92-W95 PolarHBondContact O-N 3.1Å; E93-W95 PolarHBondContact O-N 3.2Å; E93-W95 VanDerWaalsContact O-N 3.16Å; W95-Y112 AromaticContact NE1-CZ 3.92Å; W95-Y112 PolarHBondContact NE1-OH 3.41Å
96R44.5Very low50.4Low136 Ų136105.4 Ų105.451%0.51348%0.48SS..Hα-helixtrans-70.3-33.8177.4-71-175.5-149.5147.314.3112E93 R94 F98 R99E93-R96 WeakPolarHBondContact O-CB 3.36Å; E93-R96 PolarHBondContact O-N 3.08Å; E93-R96 IonicContact OE1-CZ 3.94Å; E93-R96 IonicContact OE1-NH1 3.17Å; E93-R96 PolarHBondContact OE1-NH1 2.98Å; E93-R96 IonicContact OE1-NH2 3.86Å; E93-R96 PolarHBondContact OE1-NH2 3.32Å; E93-R96 IonicContact OE2-NH1 3.9Å; R94-R96 VanDerWaalsContact C-N 3.28Å; R94-R96 PolarHBondContact O-N 2.95Å; R96-F98 VanDerWaalsContact C-N 3.3Å; R96-F98 PolarHBondContact O-N 3.44Å; R96-R99 WeakPolarHBondContact O-CB 3.3Å; R96-R99 PolarHBondContact O-N 3.43Å
97D45.9Very low48.1Very low129 Ų129110.2 Ų110.269%0.6950%0.504SS*.Hα-helixtrans-70.1-30179.9-66.7-23000111.9R94R94-D97 PolarHBondContact O-N 2.86Å
98F45.4Very low46.3Very low97 Ų97122.4 Ų122.443%0.42555%0.551SS.*Hα-helixtrans-80.8-13.1177.4-62.2-69000114.2R94 R96 F100 N101 Y112R94-F98 HydrophobicContact CB-CE2 4.45Å; R94-F98 WeakPolarHBondContact O-CD2 3.4Å; R94-F98 WeakPolarHBondContact O-CE2 3.42Å; R96-F98 VanDerWaalsContact C-N 3.3Å; R96-F98 PolarHBondContact O-N 3.44Å; F98-F100 PolarHBondContact O-N 3.2Å; F98-N101 PolarHBondContact O-N 2.92Å; F98-Y112 HydrophobicContact CE2-CE2 4.26Å
99R43.4Very low44.8Very low183 Ų183126.8 Ų126.869%0.69158%0.582SS**THydrogen-bonded Turntrans-63-23.7-178.7-102.7-176.9176.3153.50.3114.4R96R96-R99 WeakPolarHBondContact O-CB 3.3Å; R96-R99 PolarHBondContact O-N 3.43Å
100F40.2Very low43Very low190 Ų190131.6 Ų131.683%0.83361%0.605SS**THydrogen-bonded Turntrans-105.2-3.1-174.2-69.7-75.6000114.8F98F98-F100 PolarHBondContact O-N 3.2Å
101N37.8Very low41.6Very low102 Ų102137.3 Ų137.355%0.54564%0.64SS.*  trans-117.462.6-172.7-130.9-17.9000112.3F98 R103 A104F98-N101 PolarHBondContact O-N 2.92Å; N101-R103 PolarHBondContact O-N 3.33Å; N101-A104 HydrophobicContact CB-CB 4.44Å; N101-A104 WeakPolarHBondContact O-CB 3.36Å; N101-A104 PolarHBondContact O-N 3.48Å
102I37Very low40.7Very low133 Ų133139.3 Ų139.368%0.68264%0.644SS**G310 helixtrans-58.5-22.2-178.2-65.1168.2000112.6A104 L105I102-A104 VanDerWaalsContact C-N 3.34Å; I102-L105 PolarHBondContact O-N 3.17Å
103R37.8Very low40.4Very low232 Ų232143.1 Ų143.188%0.87566%0.657SS**G310 helixtrans-73.7-21.5174.3-73.9-174177.2179.6-0.1113.9N101 L105N101-R103 PolarHBondContact O-N 3.33Å; R103-L105 VanDerWaalsContact C-N 3.28Å
104A41.1Very low40.4Very low64 Ų64142.4 Ų142.453%0.52965%0.654SS.*G310 helixtrans-75.9-17.5172.500000112.5N101 I102 R106N101-A104 HydrophobicContact CB-CB 4.44Å; N101-A104 WeakPolarHBondContact O-CB 3.36Å; N101-A104 PolarHBondContact O-N 3.48Å; I102-A104 VanDerWaalsContact C-N 3.34Å; A104-R106 PolarHBondContact O-N 2.97Å
105L41Very low41Very low124 Ų124139.6 Ų139.665%0.64965%0.648SS**G310 helixtrans-79.49.4178.4-64.7170.8000113.9I102 R103I102-L105 PolarHBondContact O-N 3.17Å; R103-L105 VanDerWaalsContact C-N 3.28Å
106R30.7Very low42.2Very low230 Ų230134.6 Ų134.687%0.86863%0.63SS**G310 helixtrans-96.214.3176.7-106.2-171.5-176-1621.2115A104A104-R106 PolarHBondContact O-N 2.97Å
107L29.5Very low43.8Very low118 Ų118129.6 Ų129.662%0.61862%0.615SS**  trans-126.4110.3163.3-101.484.8000108.3S109 L110L107-S109 PolarHBondContact O-N 3.25Å; L107-L110 HydrophobicContact CD2-CB 4.48Å; L107-L110 HydrophobicContact CD2-CD1 3.82Å
108W36.2Very low45.6Very low257 Ų257123.5 Ų123.597%0.97358%0.582SS**SBendtrans-60.8123151.9-72.810000106.9
109S40.8Very low47.5Very low104 Ų104118.9 Ų118.973%0.72756%0.562SS**SBendtrans67.2110.9175.7-170.80000116L107L107-S109 PolarHBondContact O-N 3.25Å
110L30.6Very low49.7Very low142 Ų142110.1 Ų110.174%0.74353%0.529SS*.SBendtrans-176.6-7.5139.3-98.3157.4000114.5L107L107-L110 HydrophobicContact CD2-CB 4.48Å; L107-L110 HydrophobicContact CD2-CD1 3.82Å
111T35.7Very low51.9Low136 Ų136101.5 Ų101.583%0.83449%0.491SS*.SBendtrans-144.4717856.30000115.9
112Y37.7Very low54.2Low105 Ų10597.1 Ų97.141%0.41247%0.468SS..  trans-102.698.6179.9-158.8-111.4000109.4W95 F98 E114W95-Y112 AromaticContact NE1-CZ 3.92Å; W95-Y112 PolarHBondContact NE1-OH 3.41Å; F98-Y112 HydrophobicContact CE2-CE2 4.26Å; Y112-E114 HydrophobicContact CD1-CG 3.48Å; Y112-E114 VanDerWaalsContact CD1-CG 3.48Å; Y112-E114 HydrophobicContact CE1-CG 3.63Å; Y112-E114 PolarHBondContact O-N 2.92Å; Y112-E114 VanDerWaalsContact O-N 3.17Å
113E46.1Very low56.7Low128 Ų12890.8 Ų90.860%0.59844%0.436SS*.  trans-74.494.2167.7-69.4178.6160.300107.7E115E113-E115 PolarHBondContact O-N 2.91Å
114E52.7Low59.2Low91 Ų9179.8 Ų79.843%0.42539%0.394SS..  trans-69.5109.7163.9-60.1-174.4164.300107.3Y112 L116Y112-E114 HydrophobicContact CD1-CG 3.48Å; Y112-E114 VanDerWaalsContact CD1-CG 3.48Å; Y112-E114 HydrophobicContact CE1-CG 3.63Å; Y112-E114 PolarHBondContact O-N 2.92Å; Y112-E114 VanDerWaalsContact O-N 3.17Å; E114-L116 HydrophobicContact CB-CD1 4.34Å; E114-L116 HydrophobicContact CB-CG 3.87Å; E114-L116 PolarHBondContact O-N 2.86Å
115E61.5Low61.4Low103 Ų10378.8 Ų78.848%0.48138%0.383SS..  trans-74.463.9171.1-67.8-173.7178.400110.1T89 E113 T117T89-E115 PolarHBondContact N-O 3.28Å; T89-E115 VanDerWaalsContact N-O 3.14Å; T89-E115 VanDerWaalsContact OG1-CB 3.28Å; T89-E115 WeakPolarHBondContact OG1-CB 3.46Å; T89-E115 PolarHBondContact OG1-O 3.04Å; T89-E115 PolarHBondContact OG1-OE2 2.96Å; E113-E115 PolarHBondContact O-N 2.91Å; E115-T117 PolarHBondContact O-N 2.98Å
116L70.9Confident63.6Low23 Ų2379 Ų7912%0.1238%0.375CS..EExtended strand (participates in β ladder)trans-76.3118171.8-62.4-179.4000108.7V28 V86 D88 E114 P146 G147V28-L116 HydrophobicContact CG2-CD2 3.88Å; V86-L116 HydrophobicContact CG1-CB 3.79Å; V86-L116 HydrophobicContact CG1-CD2 3.95Å; V86-L116 HydrophobicContact CG1-CG 4.31Å; D88-L116 HydrophobicContact CB-CD2 3.92Å; E114-L116 HydrophobicContact CB-CD1 4.34Å; E114-L116 HydrophobicContact CB-CG 3.87Å; E114-L116 PolarHBondContact O-N 2.86Å; L116-P146 HydrophobicContact CB-CB 3.83Å; L116-P146 HydrophobicContact CB-CG 4.3Å; L116-P146 HydrophobicContact CD1-CB 4.46Å; L116-G147 WeakPolarHBondContact O-CA 3.46Å; L116-G147 PolarHBondContact O-N 3.37Å
117T76.8Confident66.4Low31 Ų3169.1 Ų69.119%0.1935%0.346CS..EExtended strand (participates in β ladder)trans-128.6150.8-177.861.30000110.4W59 F87 E115W59-T117 WeakPolarHBondContact CH2-OG1 3.22Å; F87-T117 PolarHBondContact N-O 3.25Å; F87-T117 PolarHBondContact O-N 2.99Å; F87-T117 PolarHBondContact O-OG1 2.95Å; E115-T117 PolarHBondContact O-N 2.98Å
118T85.4Confident69.4Low0 Ų065.8 Ų65.80%033%0.327CS..  trans-108.5162.1170.377.40000110.3V86 L120 H121 V122 P146V86-T118 HydrophobicContact CG2-CG2 4.21Å; T118-L120 PolarHBondContact O-N 3.42Å; T118-L120 WeakPolarHBondContact OG1-CB 3.38Å; T118-L120 PolarHBondContact OG1-N 3.03Å; T118-H121 PolarHBondContact N-ND1 3.38Å; T118-H121 WeakPolarHBondContact O-CB 3.46Å; T118-H121 PolarHBondContact O-N 3.2Å; T118-H121 PolarHBondContact OG1-CE1 3.01Å; T118-H121 PolarHBondContact OG1-ND1 3.02Å; T118-V122 PolarHBondContact O-N 3.27Å; T118-P146 HydrophobicContact CG2-CG 3.71Å
119P85.5Confident72.1Confident0 Ų055.1 Ų55.10%029%0.29CS..Hα-helixtrans-50.3-33.3171.3-30.235.4000113.6F58 V62 S85 F87 V122 A123 L135F58-P119 HydrophobicContact CD1-CG 4.47Å; F58-P119 HydrophobicContact CE1-CB 4.17Å; F58-P119 HydrophobicContact CE1-CG 3.38Å; F58-P119 HydrophobicContact CZ-CB 4.13Å; F58-P119 HydrophobicContact CZ-CG 3.76Å; V62-P119 HydrophobicContact CG1-CB 4.21Å; V62-P119 HydrophobicContact CG2-CB 4.03Å; S85-P119 WeakPolarHBondContact O-CD 3.15Å; F87-P119 HydrophobicContact CE2-CG 4.13Å; P119-V122 PolarHBondContact O-N 3.37Å; P119-A123 WeakPolarHBondContact O-CB 3.28Å; P119-A123 PolarHBondContact O-N 2.94Å; P119-L135 HydrophobicContact CB-CD1 3.72Å; P119-L135 HydrophobicContact CB-CD2 4.13Å
120L88.8Confident74.6Confident0 Ų055 Ų550%028%0.278CS..Hα-helixtrans-66.2-38.3178-165.771.6000111.9T118 A124 L132 L135 L136 A140 A151 L167T118-L120 PolarHBondContact O-N 3.42Å; T118-L120 WeakPolarHBondContact OG1-CB 3.38Å; T118-L120 PolarHBondContact OG1-N 3.03Å; L120-A124 VanDerWaalsContact O-CB 3.24Å; L120-A124 WeakPolarHBondContact O-CB 3.46Å; L120-A124 PolarHBondContact O-N 2.97Å; L120-L132 HydrophobicContact CD1-CD1 3.78Å; L120-L132 HydrophobicContact CD1-CG 3.83Å; L120-L132 HydrophobicContact CG-CD1 4.29Å; L120-L135 HydrophobicContact CB-CD1 4.48Å; L120-L135 HydrophobicContact CD1-CB 4.08Å; L120-L135 HydrophobicContact CD1-CD1 4.33Å; L120-L136 HydrophobicContact CD1-CD2 4.08Å; L120-L136 HydrophobicContact CD1-CG 3.97Å; L120-L136 HydrophobicContact CD2-CD2 4.23Å; L120-A140 HydrophobicContact CD2-CB 4.49Å; L120-A151 HydrophobicContact CB-CB 4.36Å; L120-A151 HydrophobicContact CD2-CB 3.88Å; L120-A151 HydrophobicContact CG-CB 3.76Å; L120-L167 HydrophobicContact CD1-CD2 4.38Å; L120-L167 HydrophobicContact CD2-CD2 4.15Å; L120-L167 HydrophobicContact CG-CD2 4.33Å
121H86.5Confident77.5Confident8 Ų848.3 Ų48.34%0.03724%0.243CC..Hα-helixtrans-65.9-44.7176.6-65.777.8000111.4T118 A124 S125 S144 R149 T150 A151 E154T118-H121 PolarHBondContact N-ND1 3.38Å; T118-H121 WeakPolarHBondContact O-CB 3.46Å; T118-H121 PolarHBondContact O-N 3.2Å; T118-H121 PolarHBondContact OG1-CE1 3.01Å; T118-H121 PolarHBondContact OG1-ND1 3.02Å; H121-A124 WeakPolarHBondContact O-CB 3.48Å; H121-A124 PolarHBondContact O-N 3.11Å; H121-S125 PolarHBondContact O-N 3.38Å; H121-S125 PolarHBondContact O-OG 3.02Å; H121-S144 PolarHBondContact CE1-O 3.35Å; H121-S144 PolarHBondContact NE2-O 2.74Å; H121-S144 VanDerWaalsContact NE2-O 3.14Å; H121-R149 PolarHBondContact CD2-O 2.99Å; H121-R149 PolarHBondContact NE2-O 3.35Å; H121-T150 VanDerWaalsContact CD2-C 3.46Å; H121-T150 VanDerWaalsContact NE2-C 3.28Å; H121-T150 WeakPolarHBondContact NE2-CA 3.22Å; H121-A151 PolarHBondContact CD2-N 3.26Å; H121-A151 PolarHBondContact NE2-N 3.48Å; H121-A151 VanDerWaalsContact NE2-N 3.17Å; H121-E154 HydrophobicContact CB-CG 4.41Å
122V86.1Confident80.3Confident11 Ų1141.9 Ų41.97%0.06720%0.203CC..Hα-helixtrans-65.5-43.4178.3178.50000111.6W59 V62 L63 T118 P119 A124 S125 R126W59-V122 HydrophobicContact CH2-CG2 3.24Å; W59-V122 HydrophobicContact CZ2-CG2 3.97Å; W59-V122 HydrophobicContact CZ3-CG2 3.66Å; V62-V122 HydrophobicContact CG1-CB 3.88Å; V62-V122 HydrophobicContact CG1-CG1 3.87Å; L63-V122 HydrophobicContact CD2-CG1 3.67Å; L63-V122 HydrophobicContact CG-CG1 4.46Å; T118-V122 PolarHBondContact O-N 3.27Å; P119-V122 PolarHBondContact O-N 3.37Å; V122-A124 PolarHBondContact O-N 3.48Å; V122-S125 PolarHBondContact O-N 3.12Å; V122-S125 PolarHBondContact O-OG 3.45Å; V122-R126 WeakPolarHBondContact O-CB 3.43Å; V122-R126 PolarHBondContact O-N 3.06Å
123A89.7Confident82.9Confident0 Ų040.9 Ų40.90%020%0.199CC..Hα-helixtrans-62.5-36.917600000111.4P119 G127 H128 V131 L132 L135P119-A123 WeakPolarHBondContact O-CB 3.28Å; P119-A123 PolarHBondContact O-N 2.94Å; A123-G127 PolarHBondContact O-N 3.48Å; A123-H128 HydrophobicContact CB-CB 4.24Å; A123-H128 PolarHBondContact O-N 2.97Å; A123-V131 HydrophobicContact CB-CB 4.26Å; A123-V131 HydrophobicContact CB-CG1 3.99Å; A123-L132 HydrophobicContact CB-CB 4.15Å; A123-L132 HydrophobicContact CB-CD1 4.17Å; A123-L135 HydrophobicContact CB-CD1 4.43Å
124A90Very high85.1Confident0 Ų035.9 Ų35.90%018%0.176CC..Hα-helixtrans-68.4-45.4175.700000113L120 H121 V122 R126 G127 L132 A151 E154 A155 H160 L167L120-A124 VanDerWaalsContact O-CB 3.24Å; L120-A124 WeakPolarHBondContact O-CB 3.46Å; L120-A124 PolarHBondContact O-N 2.97Å; H121-A124 WeakPolarHBondContact O-CB 3.48Å; H121-A124 PolarHBondContact O-N 3.11Å; V122-A124 PolarHBondContact O-N 3.48Å; A124-R126 VanDerWaalsContact C-N 3.35Å; A124-R126 PolarHBondContact O-N 3.01Å; A124-G127 PolarHBondContact O-N 3.47Å; A124-L132 HydrophobicContact CB-CD1 3.86Å; A124-A151 HydrophobicContact CB-CB 3.99Å; A124-A151 WeakPolarHBondContact CB-O 3.35Å; A124-E154 HydrophobicContact CB-CB 4.33Å; A124-A155 HydrophobicContact CB-CB 4.1Å; A124-H160 PolarHBondContact O-CD2 3.14Å; A124-L167 HydrophobicContact CB-CD1 4.36Å
125S88.1Confident86.9Confident43 Ų4331.6 Ų31.630%0.30116%0.156SC..Hα-helixtrans-70.6-28-178.173.40000113.6H121 V122 H160H121-S125 PolarHBondContact O-N 3.38Å; H121-S125 PolarHBondContact O-OG 3.02Å; V122-S125 PolarHBondContact O-N 3.12Å; V122-S125 PolarHBondContact O-OG 3.45Å; S125-H160 PolarHBondContact O-CD2 3.49Å; S125-H160 PolarHBondContact O-NE2 2.88Å
126R86.8Confident88.4Confident128 Ų12828 Ų2848%0.48314%0.14SC..THydrogen-bonded Turntrans-96.7-4.9178.8-64.8-170.3173.2-163.6-6.7114.7L63 V122 A124L63-R126 VanDerWaalsContact C-NH1 3.31Å; L63-R126 VanDerWaalsContact CB-NH1 3.27Å; L63-R126 PolarHBondContact O-NH1 3.2Å; V122-R126 WeakPolarHBondContact O-CB 3.43Å; V122-R126 PolarHBondContact O-N 3.06Å; A124-R126 VanDerWaalsContact C-N 3.35Å; A124-R126 PolarHBondContact O-N 3.01Å
127G88.4Confident89.4Confident24 Ų2437 Ų3725%0.24717%0.172CC..THydrogen-bonded Turntrans78.71917900000114.5A123 A124 T129 H160A123-G127 PolarHBondContact O-N 3.48Å; A124-G127 PolarHBondContact O-N 3.47Å; G127-T129 PolarHBondContact O-N 3.4Å; G127-H160 WeakPolarHBondContact CA-CD2 3.22Å; G127-H160 PolarHBondContact N-CD2 3.48Å; G127-H160 PolarHBondContact N-NE2 2.92Å
128H92.6Very high89.9Confident48 Ų4840.2 Ų40.222%0.22218%0.181CC..  trans-77.870.6-179-64-36.2000111.8V62 L63 G65 A123 E130 V131 L132V62-H128 PolarHBondContact O-CD2 3.07Å; V62-H128 VanDerWaalsContact O-CD2 3.24Å; L63-H128 PolarHBondContact O-NE2 2.98Å; G65-H128 PolarHBondContact N-NE2 3.49Å; A123-H128 HydrophobicContact CB-CB 4.24Å; A123-H128 PolarHBondContact O-N 2.97Å; H128-E130 VanDerWaalsContact C-N 3.32Å; H128-E130 PolarHBondContact O-N 3.33Å; H128-V131 HydrophobicContact CB-CB 4.06Å; H128-V131 HydrophobicContact CB-CG2 4.17Å; H128-V131 PolarHBondContact O-N 3.31Å; H128-L132 WeakPolarHBondContact O-CB 3.32Å; H128-L132 PolarHBondContact O-N 3.44Å
129T93.9Very high90Very high32 Ų3250.9 Ų50.920%0.19622%0.221CC..Hα-helixtrans-55.7-39.2-173.6560000114.3G127 L132 R133 A162G127-T129 PolarHBondContact O-N 3.4Å; T129-L132 WeakPolarHBondContact O-CB 3.49Å; T129-L132 PolarHBondContact O-N 2.91Å; T129-R133 WeakPolarHBondContact O-CG 3.41Å; T129-R133 PolarHBondContact O-N 3.08Å; T129-A162 HydrophobicContact CG2-CB 3.48Å; T129-A162 VanDerWaalsContact CG2-CB 3.48Å
130E93.4Very high90.1Very high103 Ų10351.2 Ų51.248%0.48122%0.224SC..Hα-helixtrans-71.7-39.6-179.8-59.7-54.2156.700112.6V67 H128 L132 R133 L134V67-E130 HydrophobicContact CG2-CB 3.56Å; H128-E130 VanDerWaalsContact C-N 3.32Å; H128-E130 PolarHBondContact O-N 3.33Å; E130-L132 VanDerWaalsContact C-N 3.3Å; E130-R133 PolarHBondContact O-N 3.19Å; E130-R133 IonicContact OE1-CZ 3.26Å; E130-R133 IonicContact OE1-NH1 2.66Å; E130-R133 PolarHBondContact OE1-NH1 3.19Å; E130-R133 IonicContact OE2-CZ 3.98Å; E130-R133 IonicContact OE2-NH1 2.85Å; E130-R133 PolarHBondContact OE2-NH1 3.17Å; E130-L134 WeakPolarHBondContact O-CB 3.21Å; E130-L134 PolarHBondContact O-N 3.09Å
131V91.8Very high90.1Very high1 Ų159.4 Ų59.41%0.00626%0.255CS..Hα-helixtrans-61.9-44.2172.7175.80000109.4V67 V70 A123 H128 R133 L134 L135V67-V131 HydrophobicContact CG2-CG2 3.81Å; V70-V131 HydrophobicContact CG1-CG1 4.39Å; V70-V131 HydrophobicContact CG2-CG1 4.38Å; A123-V131 HydrophobicContact CB-CB 4.26Å; A123-V131 HydrophobicContact CB-CG1 3.99Å; H128-V131 HydrophobicContact CB-CB 4.06Å; H128-V131 HydrophobicContact CB-CG2 4.17Å; H128-V131 PolarHBondContact O-N 3.31Å; V131-R133 PolarHBondContact O-N 3.22Å; V131-L134 WeakPolarHBondContact O-CB 3.47Å; V131-L134 PolarHBondContact O-N 3.37Å; V131-L135 HydrophobicContact CG1-CD1 3.94Å; V131-L135 HydrophobicContact CG1-CG 4.33Å; V131-L135 VanDerWaalsContact O-CG 3.3Å; V131-L135 WeakPolarHBondContact O-CG 3.39Å; V131-L135 PolarHBondContact O-N 3.04Å
132L93.1Very high90.2Very high0 Ų060.1 Ų60.10%026%0.26CS..Hα-helixtrans-60.1-46.4177.7-167.8115000111.9L120 A123 A124 H128 T129 E130 L134 L135 L136 V166 L167L120-L132 HydrophobicContact CD1-CD1 3.78Å; L120-L132 HydrophobicContact CD1-CG 3.83Å; L120-L132 HydrophobicContact CG-CD1 4.29Å; A123-L132 HydrophobicContact CB-CB 4.15Å; A123-L132 HydrophobicContact CB-CD1 4.17Å; A124-L132 HydrophobicContact CB-CD1 3.86Å; H128-L132 WeakPolarHBondContact O-CB 3.32Å; H128-L132 PolarHBondContact O-N 3.44Å; T129-L132 WeakPolarHBondContact O-CB 3.49Å; T129-L132 PolarHBondContact O-N 2.91Å; E130-L132 VanDerWaalsContact C-N 3.3Å; L132-L134 VanDerWaalsContact C-N 3.32Å; L132-L134 PolarHBondContact O-N 2.87Å; L132-L135 PolarHBondContact O-N 3.18Å; L132-L136 HydrophobicContact CD2-CD1 3.92Å; L132-L136 HydrophobicContact CG-CD1 4.21Å; L132-L136 VanDerWaalsContact O-CG 3.32Å; L132-L136 WeakPolarHBondContact O-CG 3.37Å; L132-L136 PolarHBondContact O-N 2.79Å; L132-V166 HydrophobicContact CD2-CB 3.71Å; L132-V166 HydrophobicContact CD2-CG1 3.51Å; L132-L167 HydrophobicContact CD1-CD1 4.43Å; L132-L167 HydrophobicContact CD1-CD2 4.14Å; L132-L167 HydrophobicContact CD1-CG 4.3Å; L132-L167 HydrophobicContact CD2-CD2 4.12Å; L132-L167 HydrophobicContact CD2-CG 3.91Å; L132-L167 HydrophobicContact CG-CD2 4.39Å
133R93.7Very high90.3Very high84 Ų8462.8 Ų62.832%0.31727%0.274SS..Hα-helixtrans-60-41.1174.2-75.2-176.1-163.6122.15.6112.3T129 E130 V131 R137 V166T129-R133 WeakPolarHBondContact O-CG 3.41Å; T129-R133 PolarHBondContact O-N 3.08Å; E130-R133 PolarHBondContact O-N 3.19Å; E130-R133 IonicContact OE1-CZ 3.26Å; E130-R133 IonicContact OE1-NH1 2.66Å; E130-R133 PolarHBondContact OE1-NH1 3.19Å; E130-R133 IonicContact OE2-CZ 3.98Å; E130-R133 IonicContact OE2-NH1 2.85Å; E130-R133 PolarHBondContact OE2-NH1 3.17Å; V131-R133 PolarHBondContact O-N 3.22Å; R133-R137 WeakPolarHBondContact O-CB 3.32Å; R133-R137 VanDerWaalsContact O-CG 3.32Å; R133-R137 WeakPolarHBondContact O-CG 3.27Å; R133-R137 PolarHBondContact O-N 3.34Å; R133-V166 HydrophobicContact CG-CG1 3.7Å; R133-V166 HydrophobicContact CG-CG2 4.06Å
134L92.1Very high90Very high24 Ų2464.2 Ų64.213%0.12628%0.284CS..Hα-helixtrans-62.8-48.9178.1-176.2156.1000111V67 V70 L74 E130 V131 L132 L136 R137 R138V67-L134 HydrophobicContact CG1-CD1 3.72Å; V70-L134 HydrophobicContact CG1-CD2 3.85Å; L74-L134 HydrophobicContact CD1-CD2 3.75Å; E130-L134 WeakPolarHBondContact O-CB 3.21Å; E130-L134 PolarHBondContact O-N 3.09Å; V131-L134 WeakPolarHBondContact O-CB 3.47Å; V131-L134 PolarHBondContact O-N 3.37Å; L132-L134 VanDerWaalsContact C-N 3.32Å; L132-L134 PolarHBondContact O-N 2.87Å; L134-L136 VanDerWaalsContact C-N 3.34Å; L134-L136 PolarHBondContact O-N 3.47Å; L134-R137 PolarHBondContact O-N 3.32Å; L134-R138 HydrophobicContact CD2-CG 4.18Å; L134-R138 WeakPolarHBondContact O-CG 3.36Å; L134-R138 PolarHBondContact O-N 3.14Å
135L90.8Very high89.7Confident0 Ų066.2 Ų66.20%030%0.3CS..Hα-helixtrans-59-45.3179.5-69.2170.8000111.3F58 L74 P83 P119 L120 A123 V131 L132 R138 R139 A140F58-L135 HydrophobicContact CZ-CD2 4.45Å; L74-L135 HydrophobicContact CD1-CD2 3.82Å; P83-L135 HydrophobicContact CB-CD2 3.83Å; P119-L135 HydrophobicContact CB-CD1 3.72Å; P119-L135 HydrophobicContact CB-CD2 4.13Å; L120-L135 HydrophobicContact CB-CD1 4.48Å; L120-L135 HydrophobicContact CD1-CB 4.08Å; L120-L135 HydrophobicContact CD1-CD1 4.33Å; A123-L135 HydrophobicContact CB-CD1 4.43Å; V131-L135 HydrophobicContact CG1-CD1 3.94Å; V131-L135 HydrophobicContact CG1-CG 4.33Å; V131-L135 VanDerWaalsContact O-CG 3.3Å; V131-L135 WeakPolarHBondContact O-CG 3.39Å; V131-L135 PolarHBondContact O-N 3.04Å; L132-L135 PolarHBondContact O-N 3.18Å; L135-R138 CarbonylContact O-C 3.46Å; L135-R138 WeakPolarHBondContact O-CA 3.26Å; L135-R138 PolarHBondContact O-N 3.46Å; L135-R138 VanDerWaalsContact O-N 3.09Å; L135-R139 PolarHBondContact O-N 3.43Å; L135-A140 HydrophobicContact CB-CB 4.1Å; L135-A140 WeakPolarHBondContact O-CB 3.49Å; L135-A140 PolarHBondContact O-N 2.98Å
136L91.8Very high89Confident27 Ų2766 Ų6614%0.14130%0.298CS..Hα-helixtrans-65-40.5177.7-67.8164.9000112.5L120 L132 L134 R138 R139 P142 V166 L167 A170L120-L136 HydrophobicContact CD1-CD2 4.08Å; L120-L136 HydrophobicContact CD1-CG 3.97Å; L120-L136 HydrophobicContact CD2-CD2 4.23Å; L132-L136 HydrophobicContact CD2-CD1 3.92Å; L132-L136 HydrophobicContact CG-CD1 4.21Å; L132-L136 VanDerWaalsContact O-CG 3.32Å; L132-L136 WeakPolarHBondContact O-CG 3.37Å; L132-L136 PolarHBondContact O-N 2.79Å; L134-L136 VanDerWaalsContact C-N 3.34Å; L134-L136 PolarHBondContact O-N 3.47Å; L136-R138 PolarHBondContact O-N 2.77Å; L136-R139 WeakPolarHBondContact O-CA 3.32Å; L136-R139 PolarHBondContact O-N 2.9Å; L136-P142 HydrophobicContact CD2-CB 4.24Å; L136-V166 HydrophobicContact CD1-CG1 3.63Å; L136-L167 HydrophobicContact CD1-CD2 4.3Å; L136-A170 HydrophobicContact CD1-CB 3.81Å; L136-A170 HydrophobicContact CD2-CB 3.95Å; L136-A170 HydrophobicContact CG-CB 4.31Å
137R91.4Very high88.2Confident212 Ų21260.9 Ų60.980%0.829%0.285SS*.Hα-helixtrans-60.8-28.9172.6-77.1177.3-178.8176.52.3112.6R133 L134 R139R133-R137 WeakPolarHBondContact O-CB 3.32Å; R133-R137 VanDerWaalsContact O-CG 3.32Å; R133-R137 WeakPolarHBondContact O-CG 3.27Å; R133-R137 PolarHBondContact O-N 3.34Å; L134-R137 PolarHBondContact O-N 3.32Å; R137-R139 PolarHBondContact O-N 3.42Å
138R88.4Confident87.7Confident100 Ų10060.9 Ų60.938%0.37729%0.285SS..THydrogen-bonded Turntrans-84.616.3173.4-62.7-60.3-16684.66.6113.3L74 P83 L134 L135 L136L74-R138 PolarHBondContact O-NH1 3.23Å; P83-R138 HydrophobicContact CB-CB 4.39Å; P83-R138 HydrophobicContact CG-CB 4.1Å; P83-R138 WeakPolarHBondContact CG-O 3.43Å; L134-R138 HydrophobicContact CD2-CG 4.18Å; L134-R138 WeakPolarHBondContact O-CG 3.36Å; L134-R138 PolarHBondContact O-N 3.14Å; L135-R138 CarbonylContact O-C 3.46Å; L135-R138 WeakPolarHBondContact O-CA 3.26Å; L135-R138 PolarHBondContact O-N 3.46Å; L135-R138 VanDerWaalsContact O-N 3.09Å; L136-R138 PolarHBondContact O-N 2.77Å
139R87.2Confident87.3Confident224 Ų22462.2 Ų62.285%0.84529%0.288SS*.THydrogen-bonded Turntrans66.332.1178.9-53.2-176.5175.3-135.90.5114.3L135 L136 R137L135-R139 PolarHBondContact O-N 3.43Å; L136-R139 WeakPolarHBondContact O-CA 3.32Å; L136-R139 PolarHBondContact O-N 2.9Å; R137-R139 PolarHBondContact O-N 3.42Å
140A87.7Confident87.2Confident6 Ų660.7 Ų60.75%0.0528%0.279CS..  trans-56.9139.2164.400000110.1P83 D84 L120 L135 P142P83-A140 HydrophobicContact CB-CB 4.05Å; D84-A140 WeakPolarHBondContact OD1-CA 3.43Å; L120-A140 HydrophobicContact CD2-CB 4.49Å; L135-A140 HydrophobicContact CB-CB 4.1Å; L135-A140 WeakPolarHBondContact O-CB 3.49Å; L135-A140 PolarHBondContact O-N 2.98Å; A140-P142 WeakPolarHBondContact O-CD 3.5Å
141R88.4Confident87Confident173 Ų17355.8 Ų55.865%0.65326%0.256SS*.  trans-80.3117.1177.6-67.6179.5-175.1-162.4-1.7110.1D84 D143 S144D84-R141 PolarHBondContact OD1-N 3.01Å; R141-D143 VanDerWaalsContact C-N 3.31Å; R141-D143 PolarHBondContact O-N 2.91Å; R141-S144 WeakPolarHBondContact O-CB 3.18Å; R141-S144 PolarHBondContact O-N 3.31Å
142P88.3Confident87.1Confident22 Ų2255.8 Ų55.814%0.14326%0.255CS..THydrogen-bonded Turntrans-66.2-33.3-178.425.7-32.9000113L136 A140 S144 A172L136-P142 HydrophobicContact CD2-CB 4.24Å; A140-P142 WeakPolarHBondContact O-CD 3.5Å; P142-S144 VanDerWaalsContact C-N 3.32Å; P142-S144 PolarHBondContact O-N 2.97Å; P142-A172 HydrophobicContact CB-CB 3.88Å
143D88.8Confident87Confident68 Ų6855.8 Ų55.836%0.36426%0.256SS..THydrogen-bonded Turntrans-91.312.3-177.8-57.2-35.5000113.5R141 A145 A172 D173 I176R141-D143 VanDerWaalsContact C-N 3.31Å; R141-D143 PolarHBondContact O-N 2.91Å; D143-A145 PolarHBondContact O-N 3.33Å; D143-A172 VanDerWaalsContact OD1-CA 3.3Å; D143-A172 WeakPolarHBondContact OD1-CA 3.36Å; D143-D173 PolarHBondContact OD1-N 2.89Å; D143-I176 HydrophobicContact CB-CD1 3.64Å
144S83.9Confident86.8Confident30 Ų3054.1 Ų54.121%0.2125%0.251CS..  trans-65.8126.7173.7-168.10000109.3H121 R141 P142H121-S144 PolarHBondContact CE1-O 3.35Å; H121-S144 PolarHBondContact NE2-O 2.74Å; H121-S144 VanDerWaalsContact NE2-O 3.14Å; R141-S144 WeakPolarHBondContact O-CB 3.18Å; R141-S144 PolarHBondContact O-N 3.31Å; P142-S144 VanDerWaalsContact C-N 3.32Å; P142-S144 PolarHBondContact O-N 2.97Å
145A82.5Confident86.8Confident41 Ų4153 Ų5334%0.33925%0.245SC..  trans-133.267.6178.100000111.2D143 G147 G148 R149 T150D143-A145 PolarHBondContact O-N 3.33Å; A145-G147 VanDerWaalsContact C-N 3.32Å; A145-G147 PolarHBondContact O-N 2.93Å; A145-G148 PolarHBondContact O-N 3.39Å; A145-R149 VanDerWaalsContact CA-O 3.22Å; A145-R149 WeakPolarHBondContact CA-O 3.24Å; A145-R149 WeakPolarHBondContact CB-O 3.47Å; A145-T150 HydrophobicContact CB-CG2 3.88Å
146P73.2Confident86.9Confident39 Ų3953 Ų5325%0.25325%0.245SC..THydrogen-bonded Turntrans-67.4-32.5-174.729.7-35.1000112.6V86 L116 T118V86-P146 HydrophobicContact CG1-CB 3.93Å; V86-P146 HydrophobicContact CG1-CG 4.2Å; V86-P146 HydrophobicContact CG2-CB 4.08Å; V86-P146 HydrophobicContact CG2-CG 4.3Å; L116-P146 HydrophobicContact CB-CB 3.83Å; L116-P146 HydrophobicContact CB-CG 4.3Å; L116-P146 HydrophobicContact CD1-CB 4.46Å; T118-P146 HydrophobicContact CG2-CG 3.71Å
147G70.3Confident86.8Confident20 Ų2053.7 Ų53.721%0.20626%0.255CS..THydrogen-bonded Turntrans-101.129.3173.200000112.9L116 A145 R149 Q179L116-G147 WeakPolarHBondContact O-CA 3.46Å; L116-G147 PolarHBondContact O-N 3.37Å; A145-G147 VanDerWaalsContact C-N 3.32Å; A145-G147 PolarHBondContact O-N 2.93Å; G147-R149 PolarHBondContact O-N 3.45Å; G147-Q179 PolarHBondContact O-OE1 3.5Å
148G78.9Confident86.6Confident24 Ų2445.3 Ų45.325%0.24723%0.231CC..SBendtrans76.8-11.2176.900000116.1A145 D178 Q179A145-G148 PolarHBondContact O-N 3.39Å; G148-D178 CarbonylContact O-C 3.43Å; G148-D178 WeakPolarHBondContact O-CA 3.38Å; G148-D178 WeakPolarHBondContact O-CB 3.48Å; G148-Q179 PolarHBondContact O-N 3.26Å; G148-Q179 VanDerWaalsContact O-N 3.08Å
149R84.8Confident86.6Confident76 Ų7641 Ų4129%0.28722%0.217SC..  trans-110.7146.3169.4-77.1178.5177.5159.812.4110.9H121 A145 G147 H153 E154 D178 D180H121-R149 PolarHBondContact CD2-O 2.99Å; H121-R149 PolarHBondContact NE2-O 3.35Å; A145-R149 VanDerWaalsContact CA-O 3.22Å; A145-R149 WeakPolarHBondContact CA-O 3.24Å; A145-R149 WeakPolarHBondContact CB-O 3.47Å; G147-R149 PolarHBondContact O-N 3.45Å; R149-H153 HydrophobicContact CB-CB 4.16Å; R149-H153 HydrophobicContact CG-CB 4.28Å; R149-E154 WeakPolarHBondContact CD-OE1 3.34Å; R149-D178 HydrophobicContact CG-CB 3.66Å; R149-D178 IonicContact CZ-OD2 3.52Å; R149-D178 IonicContact NE-OD2 2.65Å; R149-D178 PolarHBondContact NE-OD2 3.23Å; R149-D178 VanDerWaalsContact NE-OD2 3.17Å; R149-D178 IonicContact NH2-OD2 3.9Å; R149-D180 IonicContact NH2-OD2 3.31Å
150T90.4Very high86.8Confident1 Ų133.3 Ų33.31%0.00619%0.191CC..  trans-88.9163.9169.769.30000111H121 A145 L152 H153 E154 I176H121-T150 VanDerWaalsContact CD2-C 3.46Å; H121-T150 VanDerWaalsContact NE2-C 3.28Å; H121-T150 WeakPolarHBondContact NE2-CA 3.22Å; A145-T150 HydrophobicContact CB-CG2 3.88Å; T150-L152 PolarHBondContact O-N 3.48Å; T150-L152 VanDerWaalsContact O-N 3.12Å; T150-L152 PolarHBondContact OG1-N 3.34Å; T150-H153 PolarHBondContact N-ND1 3.02Å; T150-H153 WeakPolarHBondContact O-CB 3.41Å; T150-H153 PolarHBondContact O-N 3.3Å; T150-H153 PolarHBondContact OG1-N 3.08Å; T150-H153 PolarHBondContact OG1-ND1 2.99Å; T150-E154 PolarHBondContact O-N 2.95Å; T150-I176 HydrophobicContact CG2-CB 4.39Å; T150-I176 HydrophobicContact CG2-CD1 4.11Å; T150-I176 HydrophobicContact CG2-CG2 3.88Å
151A90.2Very high87.1Confident0 Ų035.3 Ų35.30%020%0.203CC..Hα-helixtrans-57.7-27.7173.400000112.7L120 H121 A124 E154 A155 L167L120-A151 HydrophobicContact CB-CB 4.36Å; L120-A151 HydrophobicContact CD2-CB 3.88Å; L120-A151 HydrophobicContact CG-CB 3.76Å; H121-A151 PolarHBondContact CD2-N 3.26Å; H121-A151 PolarHBondContact NE2-N 3.48Å; H121-A151 VanDerWaalsContact NE2-N 3.17Å; A124-A151 HydrophobicContact CB-CB 3.99Å; A124-A151 WeakPolarHBondContact CB-O 3.35Å; A151-E154 PolarHBondContact O-N 3.49Å; A151-A155 PolarHBondContact O-N 3.03Å; A151-L167 HydrophobicContact CB-CD1 4.08Å; A151-L167 HydrophobicContact CB-CD2 4.13Å; A151-L167 WeakPolarHBondContact O-CD1 3.27Å
152L93.9Very high87.4Confident0 Ų029.2 Ų29.20%019%0.19CC..Hα-helixtrans-68.6-37.9176-173.764.3000112T150 A155 C156 V164 L167 L168 A172 P174 P184 L200T150-L152 PolarHBondContact O-N 3.48Å; T150-L152 VanDerWaalsContact O-N 3.12Å; T150-L152 PolarHBondContact OG1-N 3.34Å; L152-A155 PolarHBondContact O-N 2.91Å; L152-C156 WeakPolarHBondContact O-CB 3.28Å; L152-C156 PolarHBondContact O-N 3.1Å; L152-C156 PolarHBondContact O-SG 3.23Å; L152-V164 HydrophobicContact CD1-CB 4.4Å; L152-V164 HydrophobicContact CD1-CG1 4.03Å; L152-V164 HydrophobicContact CD1-CG2 4.37Å; L152-L167 HydrophobicContact CB-CD1 4.26Å; L152-L167 HydrophobicContact CD1-CB 4.13Å; L152-L167 HydrophobicContact CD1-CD1 4.26Å; L152-L168 HydrophobicContact CD1-CD2 4.27Å; L152-L168 HydrophobicContact CD1-CG 4.2Å; L152-L168 HydrophobicContact CD2-CD2 3.9Å; L152-A172 HydrophobicContact CD2-CB 4.31Å; L152-P174 HydrophobicContact CD2-CB 4.32Å; L152-P184 HydrophobicContact CD2-CB 4.24Å; L152-P184 HydrophobicContact CD2-CG 3.9Å; L152-P184 HydrophobicContact CG-CB 4.15Å; L152-P184 HydrophobicContact CG-CG 4.12Å; L152-L200 HydrophobicContact CD1-CD2 4.27Å; L152-L200 HydrophobicContact CD2-CD2 3.98Å; L152-L200 HydrophobicContact CG-CD2 4.31Å
153H91.1Very high87.7Confident1 Ų128.2 Ų28.21%0.00518%0.183CC..Hα-helixtrans-60.5-47.3174.3-69.493.8000110.9R149 T150 C156 A157 I176 K182 P184 L187R149-H153 HydrophobicContact CB-CB 4.16Å; R149-H153 HydrophobicContact CG-CB 4.28Å; T150-H153 PolarHBondContact N-ND1 3.02Å; T150-H153 WeakPolarHBondContact O-CB 3.41Å; T150-H153 PolarHBondContact O-N 3.3Å; T150-H153 PolarHBondContact OG1-N 3.08Å; T150-H153 PolarHBondContact OG1-ND1 2.99Å; H153-C156 PolarHBondContact O-N 2.94Å; H153-A157 WeakPolarHBondContact O-CB 3.36Å; H153-A157 PolarHBondContact O-N 3.02Å; H153-I176 PolarHBondContact CE1-O 3.4Å; H153-I176 PolarHBondContact NE2-O 3.23Å; H153-I176 VanDerWaalsContact NE2-O 3.09Å; H153-K182 PolarHBondContact NE2-O 3.37Å; H153-P184 VanDerWaalsContact NE2-CD 3.28Å; H153-P184 WeakPolarHBondContact NE2-CD 3.47Å; H153-L187 HydrophobicContact CB-CD1 3.66Å; H153-L187 VanDerWaalsContact CD2-CD1 3.49Å; H153-L187 WeakPolarHBondContact CD2-CD1 3.3Å
154E89.3Confident88Confident49 Ų4925 Ų2523%0.22917%0.165CC..Hα-helixtrans-61.8-45178.8-64-57.6151.900112.4H121 A124 R149 T150 A151 C156 A157 A158H121-E154 HydrophobicContact CB-CG 4.41Å; A124-E154 HydrophobicContact CB-CB 4.33Å; R149-E154 WeakPolarHBondContact CD-OE1 3.34Å; T150-E154 PolarHBondContact O-N 2.95Å; A151-E154 PolarHBondContact O-N 3.49Å; E154-C156 VanDerWaalsContact C-N 3.3Å; E154-C156 PolarHBondContact O-N 3.24Å; E154-A157 PolarHBondContact O-N 3.11Å; E154-A158 WeakPolarHBondContact O-CB 3.45Å; E154-A158 PolarHBondContact O-N 3.35Å
155A92.1Very high88.6Confident0 Ų027.6 Ų27.60%017%0.174CC..Hα-helixtrans-62.8-37.1176.500000112.5A124 A151 L152 G159 H160 C163 V164 L167A124-A155 HydrophobicContact CB-CB 4.1Å; A151-A155 PolarHBondContact O-N 3.03Å; L152-A155 PolarHBondContact O-N 2.91Å; A155-G159 PolarHBondContact O-N 3.44Å; A155-G159 VanDerWaalsContact O-N 3.11Å; A155-H160 PolarHBondContact O-N 3.39Å; A155-C163 HydrophobicContact CB-CB 3.91Å; A155-V164 HydrophobicContact CB-CG2 3.69Å; A155-L167 HydrophobicContact CB-CD1 4.18Å
156C92.2Very high89.2Confident0 Ų026.5 Ų26.50%016%0.163CC..Hα-helixtrans-71.5-42178-67.80000112L152 H153 E154 A158 G159L152-C156 WeakPolarHBondContact O-CB 3.28Å; L152-C156 PolarHBondContact O-N 3.1Å; L152-C156 PolarHBondContact O-SG 3.23Å; H153-C156 PolarHBondContact O-N 2.94Å; E154-C156 VanDerWaalsContact C-N 3.3Å; E154-C156 PolarHBondContact O-N 3.24Å; C156-A158 VanDerWaalsContact C-N 3.29Å; C156-A158 PolarHBondContact O-N 3.44Å; C156-G159 PolarHBondContact O-N 3.4Å
157A89.5Confident90.2Very high42 Ų4224.6 Ų24.635%0.34715%0.151SC..Hα-helixtrans-63.1-35.1176.600000112.7H153 E154 L187H153-A157 WeakPolarHBondContact O-CB 3.36Å; H153-A157 PolarHBondContact O-N 3.02Å; E154-A157 PolarHBondContact O-N 3.11Å; A157-L187 WeakPolarHBondContact CA-O 3.49Å; A157-L187 HydrophobicContact CB-CB 4.41Å
158A87.1Confident91.4Very high36 Ų3624 Ų2430%0.29814%0.143SC..THydrogen-bonded Turntrans-86.2-9.1177.400000114.2E154 C156 H160E154-A158 WeakPolarHBondContact O-CB 3.45Å; E154-A158 PolarHBondContact O-N 3.35Å; C156-A158 VanDerWaalsContact C-N 3.29Å; C156-A158 PolarHBondContact O-N 3.44Å; A158-H160 VanDerWaalsContact CB-CD2 3.45Å; A158-H160 WeakPolarHBondContact CB-CD2 3.34Å
159G88.9Confident92.2Very high8 Ų827.4 Ų27.48%0.08216%0.159CC..THydrogen-bonded Turntrans73.522.1-178.500000114.6A155 C156 T161 P191A155-G159 PolarHBondContact O-N 3.44Å; A155-G159 VanDerWaalsContact O-N 3.11Å; C156-G159 PolarHBondContact O-N 3.4Å; G159-T161 PolarHBondContact O-N 3.18Å; G159-T161 VanDerWaalsContact O-N 3.08Å; G159-P191 WeakPolarHBondContact CA-O 3.3Å
160H92.1Very high92.6Very high63 Ų6326 Ų2629%0.29216%0.163SC..  trans-85.979.7-176.2-66.7-32.1000112.4A124 S125 G127 A155 A158 A162 C163 V164A124-H160 PolarHBondContact O-CD2 3.14Å; S125-H160 PolarHBondContact O-CD2 3.49Å; S125-H160 PolarHBondContact O-NE2 2.88Å; G127-H160 WeakPolarHBondContact CA-CD2 3.22Å; G127-H160 PolarHBondContact N-CD2 3.48Å; G127-H160 PolarHBondContact N-NE2 2.92Å; A155-H160 PolarHBondContact O-N 3.39Å; A158-H160 VanDerWaalsContact CB-CD2 3.45Å; A158-H160 WeakPolarHBondContact CB-CD2 3.34Å; H160-A162 VanDerWaalsContact C-N 3.3Å; H160-A162 PolarHBondContact O-N 3.05Å; H160-C163 HydrophobicContact CB-CB 4.07Å; H160-C163 WeakPolarHBondContact O-CB 3.41Å; H160-C163 PolarHBondContact O-N 3.24Å; H160-V164 PolarHBondContact O-N 2.97Å
161T93.6Very high92.6Very high49 Ų4928.4 Ų28.430%0.30119%0.189SC..Hα-helixtrans-50.8-42.9-176.260.90000114G159 C163 V164 H165 G192 E195G159-T161 PolarHBondContact O-N 3.18Å; G159-T161 VanDerWaalsContact O-N 3.08Å; T161-C163 PolarHBondContact O-N 3.38Å; T161-V164 PolarHBondContact O-N 3.06Å; T161-H165 PolarHBondContact O-N 3.37Å; T161-G192 WeakPolarHBondContact CG2-O 3.35Å; T161-E195 HydrophobicContact CG2-CB 3.66Å
162A94.3Very high92.8Very high45 Ų4528.7 Ų28.737%0.37219%0.191SC..Hα-helixtrans-67.1-35.2179.400000112.5T129 H160 V166T129-A162 HydrophobicContact CG2-CB 3.48Å; T129-A162 VanDerWaalsContact CG2-CB 3.48Å; H160-A162 VanDerWaalsContact C-N 3.3Å; H160-A162 PolarHBondContact O-N 3.05Å; A162-V166 VanDerWaalsContact O-CG2 3.32Å; A162-V166 WeakPolarHBondContact O-CG2 3.07Å; A162-V166 PolarHBondContact O-N 3.24Å
163C94.3Very high92.8Very high0 Ų032 Ų320%021%0.209CC..Hα-helixtrans-69-44.6173.4-70.90000110.9A155 H160 T161 H165 V166 L167A155-C163 HydrophobicContact CB-CB 3.91Å; H160-C163 HydrophobicContact CB-CB 4.07Å; H160-C163 WeakPolarHBondContact O-CB 3.41Å; H160-C163 PolarHBondContact O-N 3.24Å; T161-C163 PolarHBondContact O-N 3.38Å; C163-H165 VanDerWaalsContact C-N 3.33Å; C163-H165 PolarHBondContact O-N 2.9Å; C163-V166 PolarHBondContact O-N 3.4Å; C163-L167 WeakPolarHBondContact O-CG 2.97Å; C163-L167 PolarHBondContact O-N 3.32Å
164V95.2Very high93Very high0 Ų032.5 Ų32.50%021%0.212CC..Hα-helixtrans-54.9-49.2175171.80000110.6L152 A155 H160 T161 V166 L167 L168 L199 L200L152-V164 HydrophobicContact CD1-CB 4.4Å; L152-V164 HydrophobicContact CD1-CG1 4.03Å; L152-V164 HydrophobicContact CD1-CG2 4.37Å; A155-V164 HydrophobicContact CB-CG2 3.69Å; H160-V164 PolarHBondContact O-N 2.97Å; T161-V164 PolarHBondContact O-N 3.06Å; V164-V166 PolarHBondContact O-N 2.9Å; V164-L167 PolarHBondContact O-N 3.45Å; V164-L168 HydrophobicContact CG1-CD1 3.66Å; V164-L168 HydrophobicContact CG1-CG 4.34Å; V164-L168 WeakPolarHBondContact O-CB 3.47Å; V164-L168 VanDerWaalsContact O-CG 3.28Å; V164-L168 WeakPolarHBondContact O-CG 3.48Å; V164-L168 PolarHBondContact O-N 3.08Å; V164-L199 HydrophobicContact CG1-CB 4.23Å; V164-L199 HydrophobicContact CG1-CD1 4.3Å; V164-L200 HydrophobicContact CG1-CD2 4.5Å
165H96.1Very high93.2Very high86 Ų8631.7 Ų31.740%0.39821%0.209SC..Hα-helixtrans-58.6-46.1178.4-176.5-91.4000112.5T161 C163 L168 V169 L199T161-H165 PolarHBondContact O-N 3.37Å; C163-H165 VanDerWaalsContact C-N 3.33Å; C163-H165 PolarHBondContact O-N 2.9Å; H165-L168 PolarHBondContact O-N 2.82Å; H165-V169 WeakPolarHBondContact O-CB 3.22Å; H165-V169 VanDerWaalsContact O-CG2 3.27Å; H165-V169 WeakPolarHBondContact O-CG2 3.34Å; H165-V169 PolarHBondContact O-N 3.29Å; H165-L199 HydrophobicContact CB-CD1 3.88Å
166V95.9Very high93Very high17 Ų1733.9 Ų33.910%0.10322%0.22CC..Hα-helixtrans-65.8-40.6-179.5173.80000111.6L132 R133 L136 A162 C163 V164 A170L132-V166 HydrophobicContact CD2-CB 3.71Å; L132-V166 HydrophobicContact CD2-CG1 3.51Å; R133-V166 HydrophobicContact CG-CG1 3.7Å; R133-V166 HydrophobicContact CG-CG2 4.06Å; L136-V166 HydrophobicContact CD1-CG1 3.63Å; A162-V166 VanDerWaalsContact O-CG2 3.32Å; A162-V166 WeakPolarHBondContact O-CG2 3.07Å; A162-V166 PolarHBondContact O-N 3.24Å; C163-V166 PolarHBondContact O-N 3.4Å; V164-V166 PolarHBondContact O-N 2.9Å; V166-A170 WeakPolarHBondContact O-CB 3.43Å; V166-A170 PolarHBondContact O-N 3.07Å
167L95.1Very high92.9Very high0 Ų035.2 Ų35.20%023%0.232CC..Hα-helixtrans-63.9-45.6177.6-72.8169.1000111.8L120 A124 L132 L136 A151 L152 A155 C163 V164 A170 G171 A172L120-L167 HydrophobicContact CD1-CD2 4.38Å; L120-L167 HydrophobicContact CD2-CD2 4.15Å; L120-L167 HydrophobicContact CG-CD2 4.33Å; A124-L167 HydrophobicContact CB-CD1 4.36Å; L132-L167 HydrophobicContact CD1-CD1 4.43Å; L132-L167 HydrophobicContact CD1-CD2 4.14Å; L132-L167 HydrophobicContact CD1-CG 4.3Å; L132-L167 HydrophobicContact CD2-CD2 4.12Å; L132-L167 HydrophobicContact CD2-CG 3.91Å; L132-L167 HydrophobicContact CG-CD2 4.39Å; L136-L167 HydrophobicContact CD1-CD2 4.3Å; A151-L167 HydrophobicContact CB-CD1 4.08Å; A151-L167 HydrophobicContact CB-CD2 4.13Å; A151-L167 WeakPolarHBondContact O-CD1 3.27Å; L152-L167 HydrophobicContact CB-CD1 4.26Å; L152-L167 HydrophobicContact CD1-CB 4.13Å; L152-L167 HydrophobicContact CD1-CD1 4.26Å; A155-L167 HydrophobicContact CB-CD1 4.18Å; C163-L167 WeakPolarHBondContact O-CG 2.97Å; C163-L167 PolarHBondContact O-N 3.32Å; V164-L167 PolarHBondContact O-N 3.45Å; L167-A170 CarbonylContact O-C 3.54Å; L167-A170 PolarHBondContact O-N 3.45Å; L167-A170 VanDerWaalsContact O-N 3.17Å; L167-G171 PolarHBondContact O-N 3.35Å; L167-A172 HydrophobicContact CB-CB 4.13Å; L167-A172 WeakPolarHBondContact O-CB 3.47Å; L167-A172 PolarHBondContact O-N 3.04Å
168L95.5Very high92.6Very high7 Ų733.6 Ų33.64%0.03722%0.217CC..Hα-helixtrans-64.8-41.9178.8-68.4170.9000112.1L152 V164 H165 A170 G171 P174 L199 L200 F203L152-L168 HydrophobicContact CD1-CD2 4.27Å; L152-L168 HydrophobicContact CD1-CG 4.2Å; L152-L168 HydrophobicContact CD2-CD2 3.9Å; V164-L168 HydrophobicContact CG1-CD1 3.66Å; V164-L168 HydrophobicContact CG1-CG 4.34Å; V164-L168 WeakPolarHBondContact O-CB 3.47Å; V164-L168 VanDerWaalsContact O-CG 3.28Å; V164-L168 WeakPolarHBondContact O-CG 3.48Å; V164-L168 PolarHBondContact O-N 3.08Å; H165-L168 PolarHBondContact O-N 2.82Å; L168-A170 PolarHBondContact O-N 3.39Å; L168-G171 PolarHBondContact O-N 2.9Å; L168-P174 HydrophobicContact CD2-CB 4.01Å; L168-P174 HydrophobicContact CD2-CG 4.46Å; L168-L199 HydrophobicContact CD1-CB 4.07Å; L168-L200 HydrophobicContact CD1-CD2 4.29Å; L168-L200 HydrophobicContact CD2-CD2 4.26Å; L168-F203 HydrophobicContact CB-CB 4.35Å; L168-F203 HydrophobicContact CB-CD1 3.83Å; L168-F203 HydrophobicContact CB-CD2 3.95Å; L168-F203 HydrophobicContact CB-CE1 4.02Å; L168-F203 HydrophobicContact CB-CE2 4.13Å; L168-F203 HydrophobicContact CB-CG 3.79Å; L168-F203 HydrophobicContact CB-CZ 4.17Å; L168-F203 HydrophobicContact CD1-CB 4.1Å; L168-F203 HydrophobicContact CD1-CD2 3.73Å; L168-F203 HydrophobicContact CD1-CE2 4.37Å; L168-F203 HydrophobicContact CD1-CG 4.01Å; L168-F203 HydrophobicContact CD2-CB 4.01Å; L168-F203 HydrophobicContact CD2-CG 4.38Å; L168-F203 HydrophobicContact CG-CB 4.38Å; L168-F203 HydrophobicContact CG-CD2 4.39Å; L168-F203 HydrophobicContact CG-CG 4.28Å
169V95.3Very high92.3Very high95 Ų9536.3 Ų36.358%0.57622%0.224SC*.Hα-helixtrans-64.3-31.3174.5170.90000111.8H165 G171 F203H165-V169 WeakPolarHBondContact O-CB 3.22Å; H165-V169 VanDerWaalsContact O-CG2 3.27Å; H165-V169 WeakPolarHBondContact O-CG2 3.34Å; H165-V169 PolarHBondContact O-N 3.29Å; V169-G171 PolarHBondContact O-N 3.02Å; V169-F203 HydrophobicContact CG2-CE1 4.36Å; V169-F203 HydrophobicContact CG2-CZ 3.88Å
170A92.4Very high91.8Very high47 Ų4737.7 Ų37.739%0.38823%0.229SC..THydrogen-bonded Turntrans-77.11.4174.500000113.9L136 V166 L167 L168L136-A170 HydrophobicContact CD1-CB 3.81Å; L136-A170 HydrophobicContact CD2-CB 3.95Å; L136-A170 HydrophobicContact CG-CB 4.31Å; V166-A170 WeakPolarHBondContact O-CB 3.43Å; V166-A170 PolarHBondContact O-N 3.07Å; L167-A170 CarbonylContact O-C 3.54Å; L167-A170 PolarHBondContact O-N 3.45Å; L167-A170 VanDerWaalsContact O-N 3.17Å; L168-A170 PolarHBondContact O-N 3.39Å
171G91.6Very high91.5Very high52 Ų5234.8 Ų34.854%0.53622%0.216SC..THydrogen-bonded Turntrans90.919.9175.300000115L167 L168 V169L167-G171 PolarHBondContact O-N 3.35Å; L168-G171 PolarHBondContact O-N 2.9Å; V169-G171 PolarHBondContact O-N 3.02Å
172A94.1Very high91.2Very high6 Ų634.9 Ų34.95%0.0521%0.212CC..  trans-60.3133.9171.400000110.9P142 D143 L152 L167 P174P142-A172 HydrophobicContact CB-CB 3.88Å; D143-A172 VanDerWaalsContact OD1-CA 3.3Å; D143-A172 WeakPolarHBondContact OD1-CA 3.36Å; L152-A172 HydrophobicContact CD2-CB 4.31Å; L167-A172 HydrophobicContact CB-CB 4.13Å; L167-A172 WeakPolarHBondContact O-CB 3.47Å; L167-A172 PolarHBondContact O-N 3.04Å; A172-P174 WeakPolarHBondContact O-CD 3.31Å
173D93.9Very high91.1Very high69 Ų6934.4 Ų34.437%0.36920%0.201SC..  trans-78.6117.9176-178.1-4.7000110.4D143 N175 I176D143-D173 PolarHBondContact OD1-N 2.89Å; D173-N175 PolarHBondContact O-N 3.33Å; D173-N175 WeakPolarHBondContact OD1-CB 3.23Å; D173-N175 PolarHBondContact OD1-N 3.4Å; D173-I176 HydrophobicContact CB-CD1 3.86Å; D173-I176 HydrophobicContact CB-CG1 3.89Å
174P94.2Very high91.1Very high11 Ų1134.4 Ų34.47%0.07120%0.201CC..THydrogen-bonded Turntrans-74.20.8-179.632.8-37.4000114.3L152 L168 A172 P184 L200 A205L152-P174 HydrophobicContact CD2-CB 4.32Å; L168-P174 HydrophobicContact CD2-CB 4.01Å; L168-P174 HydrophobicContact CD2-CG 4.46Å; A172-P174 WeakPolarHBondContact O-CD 3.31Å; P174-P184 WeakPolarHBondContact O-CD 3.47Å; P174-L200 HydrophobicContact CB-CD2 3.89Å; P174-A205 HydrophobicContact CB-CB 4Å; P174-A205 HydrophobicContact CG-CB 4.38Å
175N93Very high91Very high32 Ų3234.7 Ų34.717%0.17120%0.203CC..THydrogen-bonded Turntrans-112.4-0.3-174.5-65.8-65.9000114.8D173 A177 R183 G204 R206D173-N175 PolarHBondContact O-N 3.33Å; D173-N175 WeakPolarHBondContact OD1-CB 3.23Å; D173-N175 PolarHBondContact OD1-N 3.4Å; N175-A177 PolarHBondContact O-N 2.84Å; N175-R183 PolarHBondContact O-NH1 3.24Å; N175-G204 PolarHBondContact ND2-O 3.33Å; N175-R206 WeakPolarHBondContact OD1-CG 3.36Å; N175-R206 PolarHBondContact OD1-N 2.98Å
176I89.4Confident90.8Very high46 Ų4630.8 Ų30.824%0.23618%0.184CC..  trans-60.5133175.5-65.8170.6000108.6D143 T150 H153 D173 P184D143-I176 HydrophobicContact CB-CD1 3.64Å; T150-I176 HydrophobicContact CG2-CB 4.39Å; T150-I176 HydrophobicContact CG2-CD1 4.11Å; T150-I176 HydrophobicContact CG2-CG2 3.88Å; H153-I176 PolarHBondContact CE1-O 3.4Å; H153-I176 PolarHBondContact NE2-O 3.23Å; H153-I176 VanDerWaalsContact NE2-O 3.09Å; D173-I176 HydrophobicContact CB-CD1 3.86Å; D173-I176 HydrophobicContact CB-CG1 3.89Å; I176-P184 WeakPolarHBondContact O-CD 3.4Å
177A88.7Confident90.4Very high29 Ų2930.4 Ų30.424%0.2418%0.182CC..  trans-85.4142.9172.900000109.9N175N175-A177 PolarHBondContact O-N 2.84Å
178D84.1Confident90.1Very high8 Ų830.5 Ų30.54%0.04318%0.183CC..  trans-78.8-176.9169.277.5-3.1000112.2G148 R149 D180 G181 K182G148-D178 CarbonylContact O-C 3.43Å; G148-D178 WeakPolarHBondContact O-CA 3.38Å; G148-D178 WeakPolarHBondContact O-CB 3.48Å; R149-D178 HydrophobicContact CG-CB 3.66Å; R149-D178 IonicContact CZ-OD2 3.52Å; R149-D178 IonicContact NE-OD2 2.65Å; R149-D178 PolarHBondContact NE-OD2 3.23Å; R149-D178 VanDerWaalsContact NE-OD2 3.17Å; R149-D178 IonicContact NH2-OD2 3.9Å; D178-D180 PolarHBondContact O-N 3.34Å; D178-D180 WeakPolarHBondContact OD1-CA 3.25Å; D178-D180 WeakPolarHBondContact OD1-CB 3.49Å; D178-D180 PolarHBondContact OD1-N 2.93Å; D178-G181 WeakPolarHBondContact O-CA 3.38Å; D178-G181 PolarHBondContact O-N 3.25Å; D178-G181 PolarHBondContact OD1-N 2.97Å; D178-K182 PolarHBondContact N-O 2.93Å; D178-K182 WeakPolarHBondContact OD1-CA 3.45Å; D178-K182 WeakPolarHBondContact OD1-CB 3.32Å; D178-K182 PolarHBondContact OD1-N 3.43Å
179Q80.6Confident89.2Confident92 Ų9235.4 Ų35.443%0.4320%0.201SC..THydrogen-bonded Turntrans-58.3-25.717863.7-179.531.200114.7G147 G148G147-Q179 PolarHBondContact O-OE1 3.5Å; G148-Q179 PolarHBondContact O-N 3.26Å; G148-Q179 VanDerWaalsContact O-N 3.08Å
180D79.5Confident88.1Confident37 Ų3732.9 Ų32.920%0.19819%0.193CC..THydrogen-bonded Turntrans-919176.1-52.8-21.5000110.7R149 D178 K182R149-D180 IonicContact NH2-OD2 3.31Å; D178-D180 PolarHBondContact O-N 3.34Å; D178-D180 WeakPolarHBondContact OD1-CA 3.25Å; D178-D180 WeakPolarHBondContact OD1-CB 3.49Å; D178-D180 PolarHBondContact OD1-N 2.93Å; D180-K182 HydrophobicContact CB-CD 4.12Å; D180-K182 HydrophobicContact CB-CG 4.17Å; D180-K182 PolarHBondContact O-N 3.23Å; D180-K182 IonicContact OD2-NZ 3.7Å; D180-K182 PolarHBondContact OD2-NZ 3.47Å
181G84.1Confident87.2Confident2 Ų236.1 Ų36.12%0.02121%0.211CC..SBendtrans71.110.3-173.300000114.4D178 S211 E212D178-G181 WeakPolarHBondContact O-CA 3.38Å; D178-G181 PolarHBondContact O-N 3.25Å; D178-G181 PolarHBondContact OD1-N 2.97Å; G181-S211 WeakPolarHBondContact O-CA 3.45Å; G181-E212 PolarHBondContact O-N 3.44Å
182K88.5Confident86.7Confident51 Ų5134.8 Ų34.822%0.22220%0.196CC..  trans-87.4134-177.4-65.3170.9-169.6134.50110.6H153 D178 D180 H186 L187H153-K182 PolarHBondContact NE2-O 3.37Å; D178-K182 PolarHBondContact N-O 2.93Å; D178-K182 WeakPolarHBondContact OD1-CA 3.45Å; D178-K182 WeakPolarHBondContact OD1-CB 3.32Å; D178-K182 PolarHBondContact OD1-N 3.43Å; D180-K182 HydrophobicContact CB-CD 4.12Å; D180-K182 HydrophobicContact CB-CG 4.17Å; D180-K182 PolarHBondContact O-N 3.23Å; D180-K182 IonicContact OD2-NZ 3.7Å; D180-K182 PolarHBondContact OD2-NZ 3.47Å; K182-H186 HydrophobicContact CB-CB 4.22Å; K182-L187 HydrophobicContact CB-CD2 4.09Å; K182-L187 HydrophobicContact CD-CD2 3.88Å
183R92.5Very high86.4Confident36 Ų3635 Ų3514%0.13620%0.198CC..  trans-82.8161.3172.8-51.1168.8-175.5-100.6-13.4111.1N175 L185 H186 R210N175-R183 PolarHBondContact O-NH1 3.24Å; R183-L185 PolarHBondContact O-N 3.15Å; R183-H186 WeakPolarHBondContact CB-ND1 3.28Å; R183-H186 PolarHBondContact N-ND1 2.87Å; R183-H186 WeakPolarHBondContact O-CB 3.42Å; R183-H186 PolarHBondContact O-N 3.33Å; R183-H186 PolarHBondContact O-ND1 3.13Å; R183-R210 PolarHBondContact NE-O 2.9Å
184P92.9Very high86.3Confident0 Ų034 Ų340%019%0.192CC..Hα-helixtrans-52.2-37.4179.7-27.634.5000114.1L152 H153 P174 I176 H186 L187 C188 L200L152-P184 HydrophobicContact CD2-CB 4.24Å; L152-P184 HydrophobicContact CD2-CG 3.9Å; L152-P184 HydrophobicContact CG-CB 4.15Å; L152-P184 HydrophobicContact CG-CG 4.12Å; H153-P184 VanDerWaalsContact NE2-CD 3.28Å; H153-P184 WeakPolarHBondContact NE2-CD 3.47Å; P174-P184 WeakPolarHBondContact O-CD 3.47Å; I176-P184 WeakPolarHBondContact O-CD 3.4Å; P184-H186 VanDerWaalsContact C-N 3.25Å; P184-H186 PolarHBondContact O-N 3.25Å; P184-L187 PolarHBondContact O-N 2.98Å; P184-C188 PolarHBondContact O-N 3.06Å; P184-C188 PolarHBondContact O-SG 2.96Å; P184-L200 HydrophobicContact CB-CD1 4.12Å; P184-L200 HydrophobicContact CB-CD2 4.05Å
185L93.6Very high86.3Confident6 Ų638.1 Ų38.13%0.03121%0.21CC..Hα-helixtrans-64.6-25.2179.3-167.860.9000113.5R183 L187 A197 L200 L201 A205 P218 L234R183-L185 PolarHBondContact O-N 3.15Å; L185-L187 VanDerWaalsContact C-N 3.33Å; L185-A197 HydrophobicContact CD1-CB 3.76Å; L185-L200 HydrophobicContact CB-CD1 4.12Å; L185-L200 HydrophobicContact CD1-CB 4.24Å; L185-L200 HydrophobicContact CD1-CD1 3.91Å; L185-L201 HydrophobicContact CD1-CG 4.46Å; L185-L201 HydrophobicContact CD2-CD2 3.71Å; L185-L201 HydrophobicContact CD2-CG 4.34Å; L185-A205 HydrophobicContact CD2-CB 4.41Å; L185-P218 HydrophobicContact CB-CG 4.19Å; L185-P218 HydrophobicContact CD2-CB 4.07Å; L185-P218 HydrophobicContact CD2-CG 3.75Å; L185-P218 HydrophobicContact CG-CB 3.89Å; L185-P218 HydrophobicContact CG-CG 3.87Å; L185-L234 HydrophobicContact CD2-CD2 4.03Å; L185-L234 HydrophobicContact CG-CD2 4.49Å
186H90.9Very high86.3Confident3 Ų336.6 Ų36.61%0.01420%0.202CC..Hα-helixtrans-77-21.9173.6-58.191.7000112.8K182 R183 P184 G209 E216 P218 V221K182-H186 HydrophobicContact CB-CB 4.22Å; R183-H186 WeakPolarHBondContact CB-ND1 3.28Å; R183-H186 PolarHBondContact N-ND1 2.87Å; R183-H186 WeakPolarHBondContact O-CB 3.42Å; R183-H186 PolarHBondContact O-N 3.33Å; R183-H186 PolarHBondContact O-ND1 3.13Å; P184-H186 VanDerWaalsContact C-N 3.25Å; P184-H186 PolarHBondContact O-N 3.25Å; H186-G209 PolarHBondContact CE1-O 3.34Å; H186-G209 PolarHBondContact NE2-O 3.28Å; H186-E216 PolarHBondContact NE2-O 3.24Å; H186-E216 VanDerWaalsContact NE2-O 3.13Å; H186-P218 WeakPolarHBondContact NE2-CD 3.49Å; H186-V221 HydrophobicContact CB-CG2 4.39Å
187L88.9Confident86.6Confident10 Ų1034.4 Ų34.45%0.05219%0.191CC..Hα-helixtrans-92.5-9.3-175-60-172.5000112.9H153 A157 K182 P184 L185 R189H153-L187 HydrophobicContact CB-CD1 3.66Å; H153-L187 VanDerWaalsContact CD2-CD1 3.49Å; H153-L187 WeakPolarHBondContact CD2-CD1 3.3Å; A157-L187 WeakPolarHBondContact CA-O 3.49Å; A157-L187 HydrophobicContact CB-CB 4.41Å; K182-L187 HydrophobicContact CB-CD2 4.09Å; K182-L187 HydrophobicContact CD-CD2 3.88Å; P184-L187 PolarHBondContact O-N 2.98Å; L185-L187 VanDerWaalsContact C-N 3.33Å; L187-R189 WeakPolarHBondContact O-CG 3.5Å; L187-R189 PolarHBondContact O-N 3.26Å
188C87.6Confident86.9Confident2 Ų236.9 Ų36.91%0.01420%0.197CC..  trans-59.9104.9177.6-57.70000110.2P184 T193P184-C188 PolarHBondContact O-N 3.06Å; P184-C188 PolarHBondContact O-SG 2.96Å; C188-T193 HydrophobicContact CB-CG2 3.76Å; C188-T193 WeakPolarHBondContact O-CG2 3.44Å
189R76.6Confident87.4Confident110 Ų11037.9 Ų37.942%0.41520%0.202SC..  trans-138.2144.3-177-66.8177.9-176.8-173.2-0109.2L187 T193 L225L187-R189 WeakPolarHBondContact O-CG 3.5Å; L187-R189 PolarHBondContact O-N 3.26Å; R189-T193 WeakPolarHBondContact CA-OG1 3.44Å; R189-T193 PolarHBondContact N-OG1 2.78Å; R189-T193 PolarHBondContact O-OG1 3.33Å; R189-L225 HydrophobicContact CG-CD1 3.91Å
190G72.6Confident88.1Confident41 Ų4133.5 Ų33.542%0.42318%0.182SC..SBendtrans86.6-162.6174.600000115.2T193G190-T193 PolarHBondContact N-OG1 2.8Å; G190-T193 WeakPolarHBondContact O-CB 3.36Å; G190-T193 PolarHBondContact O-N 3.17Å; G190-T193 PolarHBondContact O-OG1 3.07Å
191P74.4Confident88.9Confident116 Ų11632.7 Ų32.775%0.75318%0.177SC*.THydrogen-bonded Turntrans-66.3140.6-179.828.8-33.8000110.8G159 T193G159-P191 WeakPolarHBondContact CA-O 3.3Å; P191-T193 VanDerWaalsContact C-N 3.31Å
192G81.4Confident89.4Confident23 Ų2342.3 Ų42.324%0.23721%0.213CC..THydrogen-bonded Turntrans83.71.9-178.100000115.1T161 L194 E195 C196T161-G192 WeakPolarHBondContact CG2-O 3.35Å; G192-L194 VanDerWaalsContact C-N 3.28Å; G192-L194 PolarHBondContact O-N 3.36Å; G192-E195 VanDerWaalsContact CA-OE2 3.22Å; G192-E195 WeakPolarHBondContact CA-OE2 3.34Å; G192-E195 PolarHBondContact O-N 3.27Å; G192-C196 WeakPolarHBondContact O-CB 3.49Å; G192-C196 PolarHBondContact O-N 3.3Å; G192-C196 PolarHBondContact O-SG 2.81Å
193T86.8Confident89.7Confident12 Ų1243.7 Ų43.77%0.07422%0.219CC..Hα-helixtrans-56.6-40.6180-71.10000112.4C188 R189 G190 P191 C196 A197 L230C188-T193 HydrophobicContact CB-CG2 3.76Å; C188-T193 WeakPolarHBondContact O-CG2 3.44Å; R189-T193 WeakPolarHBondContact CA-OG1 3.44Å; R189-T193 PolarHBondContact N-OG1 2.78Å; R189-T193 PolarHBondContact O-OG1 3.33Å; G190-T193 PolarHBondContact N-OG1 2.8Å; G190-T193 WeakPolarHBondContact O-CB 3.36Å; G190-T193 PolarHBondContact O-N 3.17Å; G190-T193 PolarHBondContact O-OG1 3.07Å; P191-T193 VanDerWaalsContact C-N 3.31Å; T193-C196 PolarHBondContact O-N 2.88Å; T193-A197 WeakPolarHBondContact O-CB 3.35Å; T193-A197 PolarHBondContact O-N 3.34Å; T193-L230 HydrophobicContact CG2-CD1 4.42Å; T193-L230 HydrophobicContact CG2-CD2 3.83Å
194L92.2Very high89.7Confident47 Ų4744.3 Ų44.325%0.24624%0.237CC..Hα-helixtrans-68.3-47.8-175-167.3144000110.8G192 C196 A197 E198 E229G192-L194 VanDerWaalsContact C-N 3.28Å; G192-L194 PolarHBondContact O-N 3.36Å; L194-C196 PolarHBondContact O-N 3.2Å; L194-A197 PolarHBondContact O-N 2.78Å; L194-E198 HydrophobicContact CD2-CG 4.15Å; L194-E198 WeakPolarHBondContact O-CG 3.36Å; L194-E198 PolarHBondContact O-N 3.21Å; L194-E229 HydrophobicContact CD1-CB 3.51Å
195E94.1Very high89.8Confident98 Ų9844.7 Ų44.746%0.45824%0.24SC..Hα-helixtrans-66.7-37.5177.9-58.687.4166.200111.6T161 G192 E198 L199T161-E195 HydrophobicContact CG2-CB 3.66Å; G192-E195 VanDerWaalsContact CA-OE2 3.22Å; G192-E195 WeakPolarHBondContact CA-OE2 3.34Å; G192-E195 PolarHBondContact O-N 3.27Å; E195-E198 PolarHBondContact O-N 3.26Å; E195-L199 WeakPolarHBondContact O-CB 3.5Å; E195-L199 VanDerWaalsContact O-CG 3.28Å; E195-L199 WeakPolarHBondContact O-CG 3.28Å; E195-L199 PolarHBondContact O-N 3.07Å
196C93.8Very high89.8Confident0 Ų051.9 Ų51.90%027%0.267CS..Hα-helixtrans-59.1-49171.9-760000111.4G192 T193 L194 L199 L200G192-C196 WeakPolarHBondContact O-CB 3.49Å; G192-C196 PolarHBondContact O-N 3.3Å; G192-C196 PolarHBondContact O-SG 2.81Å; T193-C196 PolarHBondContact O-N 2.88Å; L194-C196 PolarHBondContact O-N 3.2Å; C196-L199 PolarHBondContact O-N 3.07Å; C196-L200 VanDerWaalsContact O-CG 3.32Å; C196-L200 WeakPolarHBondContact O-CG 3.4Å; C196-L200 PolarHBondContact O-N 2.8Å
197A94.9Very high89.9Confident0 Ų053.1 Ų53.10%027%0.274CS..Hα-helixtrans-63.5-41.6178.500000111.9L185 T193 L194 L199 L200 L201 L230 L233L185-A197 HydrophobicContact CD1-CB 3.76Å; T193-A197 WeakPolarHBondContact O-CB 3.35Å; T193-A197 PolarHBondContact O-N 3.34Å; L194-A197 PolarHBondContact O-N 2.78Å; A197-L199 VanDerWaalsContact C-N 3.34Å; A197-L199 PolarHBondContact O-N 2.8Å; A197-L200 PolarHBondContact O-N 2.97Å; A197-L201 WeakPolarHBondContact O-CB 3.48Å; A197-L201 WeakPolarHBondContact O-CG 3.47Å; A197-L201 PolarHBondContact O-N 3.14Å; A197-L230 HydrophobicContact CB-CD1 3.42Å; A197-L230 VanDerWaalsContact CB-CD1 3.42Å; A197-L233 HydrophobicContact CB-CD2 3.88Å
198E95Very high90.1Very high80 Ų8055.6 Ų55.637%0.37429%0.288SS..Hα-helixtrans-59.1-44.7175.1-77.8-170.9164.800112.4L194 E195 R202 L233L194-E198 HydrophobicContact CD2-CG 4.15Å; L194-E198 WeakPolarHBondContact O-CG 3.36Å; L194-E198 PolarHBondContact O-N 3.21Å; E195-E198 PolarHBondContact O-N 3.26Å; E198-R202 VanDerWaalsContact O-CB 3.3Å; E198-R202 WeakPolarHBondContact O-CB 3.12Å; E198-R202 PolarHBondContact O-N 3.08Å; E198-L233 HydrophobicContact CB-CD2 4.45Å; E198-L233 HydrophobicContact CG-CD1 3.77Å; E198-L233 HydrophobicContact CG-CD2 3.54Å; E198-L233 HydrophobicContact CG-CG 4.31Å
199L95.4Very high90.2Very high29 Ų2955.7 Ų55.715%0.15229%0.289CS..Hα-helixtrans-63.1-50.6176.4-73.6175.2000111.1V164 H165 L168 E195 C196 A197 L201 R202 F203V164-L199 HydrophobicContact CG1-CB 4.23Å; V164-L199 HydrophobicContact CG1-CD1 4.3Å; H165-L199 HydrophobicContact CB-CD1 3.88Å; L168-L199 HydrophobicContact CD1-CB 4.07Å; E195-L199 WeakPolarHBondContact O-CB 3.5Å; E195-L199 VanDerWaalsContact O-CG 3.28Å; E195-L199 WeakPolarHBondContact O-CG 3.28Å; E195-L199 PolarHBondContact O-N 3.07Å; C196-L199 PolarHBondContact O-N 3.07Å; A197-L199 VanDerWaalsContact C-N 3.34Å; A197-L199 PolarHBondContact O-N 2.8Å; L199-L201 VanDerWaalsContact C-N 3.31Å; L199-L201 PolarHBondContact O-N 3.42Å; L199-R202 WeakPolarHBondContact O-CB 3.35Å; L199-R202 PolarHBondContact O-N 2.8Å; L199-R202 VanDerWaalsContact O-N 3.11Å; L199-F203 VanDerWaalsContact O-CD2 3.31Å; L199-F203 WeakPolarHBondContact O-CD2 3.25Å; L199-F203 PolarHBondContact O-N 3.2Å
200L95.4Very high90.9Very high0 Ų056.1 Ų56.10%029%0.291CS..Hα-helixtrans-54.7-48.3178.2-73.3172.9000111.5L152 V164 L168 P174 P184 L185 C196 A197 R202 F203 G204 A205L152-L200 HydrophobicContact CD1-CD2 4.27Å; L152-L200 HydrophobicContact CD2-CD2 3.98Å; L152-L200 HydrophobicContact CG-CD2 4.31Å; V164-L200 HydrophobicContact CG1-CD2 4.5Å; L168-L200 HydrophobicContact CD1-CD2 4.29Å; L168-L200 HydrophobicContact CD2-CD2 4.26Å; P174-L200 HydrophobicContact CB-CD2 3.89Å; P184-L200 HydrophobicContact CB-CD1 4.12Å; P184-L200 HydrophobicContact CB-CD2 4.05Å; L185-L200 HydrophobicContact CB-CD1 4.12Å; L185-L200 HydrophobicContact CD1-CB 4.24Å; L185-L200 HydrophobicContact CD1-CD1 3.91Å; C196-L200 VanDerWaalsContact O-CG 3.32Å; C196-L200 WeakPolarHBondContact O-CG 3.4Å; C196-L200 PolarHBondContact O-N 2.8Å; A197-L200 PolarHBondContact O-N 2.97Å; L200-R202 VanDerWaalsContact C-N 3.34Å; L200-R202 PolarHBondContact O-N 2.98Å; L200-F203 CarbonylContact O-C 3.45Å; L200-F203 PolarHBondContact O-N 2.78Å; L200-G204 PolarHBondContact O-N 2.84Å; L200-A205 VanDerWaalsContact C-CB 3.45Å; L200-A205 HydrophobicContact CB-CB 3.87Å; L200-A205 WeakPolarHBondContact O-CB 3.2Å; L200-A205 PolarHBondContact O-N 3.27Å
201L95.1Very high91.7Very high20 Ų2054.5 Ų54.511%0.10527%0.273CS..Hα-helixtrans-64-38178.8-68.5175.2000112.2L185 A197 L199 F203 G204 A205 V207 L233 L234 R237L185-L201 HydrophobicContact CD1-CG 4.46Å; L185-L201 HydrophobicContact CD2-CD2 3.71Å; L185-L201 HydrophobicContact CD2-CG 4.34Å; A197-L201 WeakPolarHBondContact O-CB 3.48Å; A197-L201 WeakPolarHBondContact O-CG 3.47Å; A197-L201 PolarHBondContact O-N 3.14Å; L199-L201 VanDerWaalsContact C-N 3.31Å; L199-L201 PolarHBondContact O-N 3.42Å; L201-F203 VanDerWaalsContact C-N 3.3Å; L201-F203 PolarHBondContact O-N 3.48Å; L201-G204 PolarHBondContact O-N 3.17Å; L201-A205 HydrophobicContact CD2-CB 4.39Å; L201-V207 HydrophobicContact CD2-CB 4.33Å; L201-V207 HydrophobicContact CD2-CG2 3.53Å; L201-L233 HydrophobicContact CD1-CD2 4.31Å; L201-L233 HydrophobicContact CD1-CG 4.29Å; L201-L234 HydrophobicContact CD1-CD2 4.2Å; L201-R237 HydrophobicContact CD1-CB 4.15Å; L201-R237 HydrophobicContact CD1-CG 3.87Å
202R95.2Very high92.3Very high204 Ų20456 Ų5677%0.7727%0.27SS*.Hα-helixtrans-65.1-33.4175.9-176.1177.9178.4-178.9-0.3112.5E198 L199 L200 G204E198-R202 VanDerWaalsContact O-CB 3.3Å; E198-R202 WeakPolarHBondContact O-CB 3.12Å; E198-R202 PolarHBondContact O-N 3.08Å; L199-R202 WeakPolarHBondContact O-CB 3.35Å; L199-R202 PolarHBondContact O-N 2.8Å; L199-R202 VanDerWaalsContact O-N 3.11Å; L200-R202 VanDerWaalsContact C-N 3.34Å; L200-R202 PolarHBondContact O-N 2.98Å; R202-G204 VanDerWaalsContact C-N 3.31Å
203F95.1Very high92.3Very high81 Ų8161.2 Ų61.236%0.35529%0.288SS..THydrogen-bonded Turntrans-9013.1177.9-79.3-94000113.5L168 V169 L199 L200 L201L168-F203 HydrophobicContact CB-CB 4.35Å; L168-F203 HydrophobicContact CB-CD1 3.83Å; L168-F203 HydrophobicContact CB-CD2 3.95Å; L168-F203 HydrophobicContact CB-CE1 4.02Å; L168-F203 HydrophobicContact CB-CE2 4.13Å; L168-F203 HydrophobicContact CB-CG 3.79Å; L168-F203 HydrophobicContact CB-CZ 4.17Å; L168-F203 HydrophobicContact CD1-CB 4.1Å; L168-F203 HydrophobicContact CD1-CD2 3.73Å; L168-F203 HydrophobicContact CD1-CE2 4.37Å; L168-F203 HydrophobicContact CD1-CG 4.01Å; L168-F203 HydrophobicContact CD2-CB 4.01Å; L168-F203 HydrophobicContact CD2-CG 4.38Å; L168-F203 HydrophobicContact CG-CB 4.38Å; L168-F203 HydrophobicContact CG-CD2 4.39Å; L168-F203 HydrophobicContact CG-CG 4.28Å; V169-F203 HydrophobicContact CG2-CE1 4.36Å; V169-F203 HydrophobicContact CG2-CZ 3.88Å; L199-F203 VanDerWaalsContact O-CD2 3.31Å; L199-F203 WeakPolarHBondContact O-CD2 3.25Å; L199-F203 PolarHBondContact O-N 3.2Å; L200-F203 CarbonylContact O-C 3.45Å; L200-F203 PolarHBondContact O-N 2.78Å; L201-F203 VanDerWaalsContact C-N 3.3Å; L201-F203 PolarHBondContact O-N 3.48Å
204G92.3Very high92.2Very high48 Ų4864.9 Ų64.950%0.49530%0.304SS..THydrogen-bonded Turntrans9122.9171.100000115.4N175 L200 L201 R202N175-G204 PolarHBondContact ND2-O 3.33Å; L200-G204 PolarHBondContact O-N 2.84Å; L201-G204 PolarHBondContact O-N 3.17Å; R202-G204 VanDerWaalsContact C-N 3.31Å
205A94.4Very high92.1Very high9 Ų966.5 Ų66.57%0.07431%0.311CS..  trans-60.5136166.500000110.7P174 L185 L200 L201 V207P174-A205 HydrophobicContact CB-CB 4Å; P174-A205 HydrophobicContact CG-CB 4.38Å; L185-A205 HydrophobicContact CD2-CB 4.41Å; L200-A205 VanDerWaalsContact C-CB 3.45Å; L200-A205 HydrophobicContact CB-CB 3.87Å; L200-A205 WeakPolarHBondContact O-CB 3.2Å; L200-A205 PolarHBondContact O-N 3.27Å; L201-A205 HydrophobicContact CD2-CB 4.39Å; A205-V207 PolarHBondContact O-N 3.45Å
206R93.4Very high92Very high156 Ų15662.6 Ų62.659%0.58929%0.292SS*.  trans-70.2116.3175.4-68.4178.8-171.2169.42109.9N175 D208 G209N175-R206 WeakPolarHBondContact OD1-CG 3.36Å; N175-R206 PolarHBondContact OD1-N 2.98Å; R206-D208 PolarHBondContact O-N 3.38Å; R206-G209 PolarHBondContact O-N 3.18Å; R206-G209 VanDerWaalsContact O-N 3.11Å
207V93.8Very high92.1Very high29 Ų2962.7 Ų62.718%0.17629%0.293CS..THydrogen-bonded Turntrans-57.6-46.9179.4-178.40000111.3L201 A205 P218 L234 R237 A239L201-V207 HydrophobicContact CD2-CB 4.33Å; L201-V207 HydrophobicContact CD2-CG2 3.53Å; A205-V207 PolarHBondContact O-N 3.45Å; V207-P218 VanDerWaalsContact O-CD 3.27Å; V207-P218 WeakPolarHBondContact O-CD 3.16Å; V207-P218 WeakPolarHBondContact O-CG 3.02Å; V207-L234 HydrophobicContact CG1-CD2 4.31Å; V207-R237 HydrophobicContact CG2-CB 4.15Å; V207-A239 HydrophobicContact CG1-CB 3.51Å
208D92.1Very high92Very high62 Ų6262.8 Ų62.833%0.33229%0.294SS..THydrogen-bonded Turntrans-99.728.1176.7-66.2-35.7000112.3R206 R210 T217 A239 C240R206-D208 PolarHBondContact O-N 3.38Å; D208-R210 PolarHBondContact O-N 2.86Å; D208-R210 VanDerWaalsContact O-N 3.08Å; D208-T217 HydrophobicContact CB-CG2 4.47Å; D208-A239 WeakPolarHBondContact OD1-CA 3.46Å; D208-C240 PolarHBondContact OD1-N 3.41Å; D208-C240 PolarHBondContact OD2-N 2.72Å
209G90.4Very high92Very high4 Ų459 Ų594%0.04128%0.276CS..  trans-62.2115.1176.800000109.7H186 R206 P218H186-G209 PolarHBondContact CE1-O 3.34Å; H186-G209 PolarHBondContact NE2-O 3.28Å; R206-G209 PolarHBondContact O-N 3.18Å; R206-G209 VanDerWaalsContact O-N 3.11Å; G209-P218 WeakPolarHBondContact O-CD 3.33Å
210R91.6Very high92Very high120 Ų12057.7 Ų57.745%0.45327%0.269SS..  trans-75.5148.4179.2-63.8-175.8-178.8-169.2-1.4111.8R183 D208 E215 E216 T217R183-R210 PolarHBondContact NE-O 2.9Å; D208-R210 PolarHBondContact O-N 2.86Å; D208-R210 VanDerWaalsContact O-N 3.08Å; R210-E215 IonicContact CZ-OE2 3.41Å; R210-E215 IonicContact NH1-OE2 3.53Å; R210-E215 PolarHBondContact NH1-OE2 3.47Å; R210-E216 CarbonylContact C-O 3.57Å; R210-E216 VanDerWaalsContact CA-O 3.3Å; R210-E216 WeakPolarHBondContact CA-O 3.48Å; R210-T217 HydrophobicContact CG-CG2 4.33Å
211S89.7Confident91.8Very high6 Ų658.1 Ų58.14%0.04227%0.271CS..  trans-71.4154.1161.5660000110.9G181 E215 E216G181-S211 WeakPolarHBondContact O-CA 3.45Å; S211-E215 VanDerWaalsContact O-CA 3.28Å; S211-E215 WeakPolarHBondContact O-CA 3.28Å; S211-E215 PolarHBondContact O-N 3.46Å; S211-E215 PolarHBondContact OG-N 2.89Å; S211-E216 PolarHBondContact N-O 3.46Å; S211-E216 PolarHBondContact OG-N 3.33Å
212E85.6Confident91.6Very high148 Ų14857.1 Ų57.169%0.69227%0.266SS*.THydrogen-bonded Turntrans-78.2-35.1-176.5-57.8-171164.100113.1G181G181-E212 PolarHBondContact O-N 3.44Å
213E81.6Confident91.5Very high133 Ų13347.4 Ų47.462%0.62123%0.23SC*.THydrogen-bonded Turntrans-82.4-52.7-175.8-63.2-173.6158.400113.2
214E85.2Confident91.2Very high88 Ų8848 Ų4841%0.41123%0.229SC..THydrogen-bonded Turntrans-100.9-3.4-172.5-62.1178.916700112.7E216 N245 A246E214-E216 HydrophobicContact CB-CG 3.7Å; E214-E216 PolarHBondContact O-N 3.42Å; E214-E216 VanDerWaalsContact O-N 3.16Å; E214-N245 WeakPolarHBondContact O-CB 3.28Å; E214-A246 WeakPolarHBondContact O-CB 3.49Å; E214-A246 PolarHBondContact O-N 3.42Å
215E90.7Very high90.9Very high82 Ų8248.9 Ų48.938%0.38322%0.223SC..  trans53.626.3-171.6-64.9-166.9-155.100114.4R210 S211 A246R210-E215 IonicContact CZ-OE2 3.41Å; R210-E215 IonicContact NH1-OE2 3.53Å; R210-E215 PolarHBondContact NH1-OE2 3.47Å; S211-E215 VanDerWaalsContact O-CA 3.28Å; S211-E215 WeakPolarHBondContact O-CA 3.28Å; S211-E215 PolarHBondContact O-N 3.46Å; S211-E215 PolarHBondContact OG-N 2.89Å; E215-A246 HydrophobicContact CB-CB 4.24Å; E215-A246 HydrophobicContact CG-CB 4.32Å
216E91.9Very high90.6Very high16 Ų1648.6 Ų48.68%0.07522%0.221CC..  trans-76.1143.1-177.9-69.4-166.1145.800111.6H186 R210 S211 E214 H220 R224 N245H186-E216 PolarHBondContact NE2-O 3.24Å; H186-E216 VanDerWaalsContact NE2-O 3.13Å; R210-E216 CarbonylContact C-O 3.57Å; R210-E216 VanDerWaalsContact CA-O 3.3Å; R210-E216 WeakPolarHBondContact CA-O 3.48Å; S211-E216 PolarHBondContact N-O 3.46Å; S211-E216 PolarHBondContact OG-N 3.33Å; E214-E216 HydrophobicContact CB-CG 3.7Å; E214-E216 PolarHBondContact O-N 3.42Å; E214-E216 VanDerWaalsContact O-N 3.16Å; E216-H220 HydrophobicContact CB-CB 4.19Å; E216-H220 HydrophobicContact CG-CB 4.37Å; E216-R224 IonicContact OE1-CZ 2.85Å; E216-R224 IonicContact OE1-NH1 3.35Å; E216-R224 PolarHBondContact OE1-NH1 2.8Å; E216-R224 IonicContact OE1-NH2 3.61Å; E216-R224 IonicContact OE2-CZ 3.72Å; E216-R224 VanDerWaalsContact OE2-CZ 3.26Å; E216-R224 IonicContact OE2-NH1 3.46Å; E216-R224 PolarHBondContact OE2-NH1 2.62Å; E216-R224 IonicContact OE2-NH2 3.17Å; E216-R224 PolarHBondContact OE2-NH2 3.25Å; E216-N245 HydrophobicContact CG-CB 4.02Å
217T94.5Very high90.4Very high2 Ų244.2 Ų44.21%0.01221%0.206CC..  trans-92161.5168.668.90000110.5D208 R210 L219 H220 V221 A243D208-T217 HydrophobicContact CB-CG2 4.47Å; R210-T217 HydrophobicContact CG-CG2 4.33Å; T217-L219 PolarHBondContact O-N 3Å; T217-L219 VanDerWaalsContact O-N 3.08Å; T217-H220 PolarHBondContact N-ND1 3.04Å; T217-H220 WeakPolarHBondContact O-CB 3.26Å; T217-H220 PolarHBondContact O-N 3.37Å; T217-H220 PolarHBondContact OG1-ND1 3.31Å; T217-V221 PolarHBondContact O-N 2.91Å; T217-A243 HydrophobicContact CG2-CB 3.82Å
218P93.9Very high90.3Very high2 Ų243.6 Ų43.61%0.01320%0.203CC..Hα-helixtrans-55.1-29.7173.9-26.535.3000113.1L185 H186 V207 G209 V221 A222 L234L185-P218 HydrophobicContact CB-CG 4.19Å; L185-P218 HydrophobicContact CD2-CB 4.07Å; L185-P218 HydrophobicContact CD2-CG 3.75Å; L185-P218 HydrophobicContact CG-CB 3.89Å; L185-P218 HydrophobicContact CG-CG 3.87Å; H186-P218 WeakPolarHBondContact NE2-CD 3.49Å; V207-P218 VanDerWaalsContact O-CD 3.27Å; V207-P218 WeakPolarHBondContact O-CD 3.16Å; V207-P218 WeakPolarHBondContact O-CG 3.02Å; G209-P218 WeakPolarHBondContact O-CD 3.33Å; P218-V221 PolarHBondContact O-N 2.99Å; P218-A222 WeakPolarHBondContact O-CB 3.47Å; P218-A222 PolarHBondContact O-N 3.43Å; P218-L234 HydrophobicContact CB-CD1 3.93Å; P218-L234 HydrophobicContact CB-CD2 4.21Å
219L95.3Very high90.4Very high0 Ų047.3 Ų47.30%022%0.218CC..Hα-helixtrans-67.3-34.6176-171.962.6000112.3T217 A223 A231 L234 L235 A239 P251 L280T217-L219 PolarHBondContact O-N 3Å; T217-L219 VanDerWaalsContact O-N 3.08Å; L219-A223 VanDerWaalsContact O-CB 3.24Å; L219-A223 WeakPolarHBondContact O-CB 3.4Å; L219-A223 PolarHBondContact O-N 2.94Å; L219-A231 HydrophobicContact CD1-CB 3.84Å; L219-L234 HydrophobicContact CB-CD1 4.32Å; L219-L234 HydrophobicContact CD1-CB 4.26Å; L219-L234 HydrophobicContact CD1-CD1 4.37Å; L219-L235 HydrophobicContact CD1-CG 4.19Å; L219-L235 HydrophobicContact CD2-CD2 3.72Å; L219-L235 HydrophobicContact CD2-CG 4.22Å; L219-A239 HydrophobicContact CD2-CB 4.09Å; L219-P251 HydrophobicContact CB-CG 4.31Å; L219-P251 HydrophobicContact CD2-CB 4.08Å; L219-P251 HydrophobicContact CD2-CG 3.79Å; L219-P251 HydrophobicContact CG-CB 3.88Å; L219-P251 HydrophobicContact CG-CG 3.88Å; L219-L280 HydrophobicContact CD1-CD2 4.25Å; L219-L280 HydrophobicContact CD2-CD2 4.09Å; L219-L280 HydrophobicContact CG-CD2 4.34Å
220H94.1Very high90.5Very high1 Ų147.5 Ų47.51%0.00522%0.218CC..Hα-helixtrans-63.5-45.4172.3-70.484.4000111.3E216 T217 A223 R224 A243 W249 P251E216-H220 HydrophobicContact CB-CB 4.19Å; E216-H220 HydrophobicContact CG-CB 4.37Å; T217-H220 PolarHBondContact N-ND1 3.04Å; T217-H220 WeakPolarHBondContact O-CB 3.26Å; T217-H220 PolarHBondContact O-N 3.37Å; T217-H220 PolarHBondContact OG1-ND1 3.31Å; H220-A223 PolarHBondContact O-N 3.34Å; H220-R224 WeakPolarHBondContact O-CB 3.17Å; H220-R224 PolarHBondContact O-N 3.04Å; H220-A243 PolarHBondContact CE1-O 2.88Å; H220-A243 PolarHBondContact NE2-O 3.48Å; H220-W249 PolarHBondContact NE2-O 3.46Å; H220-P251 WeakPolarHBondContact NE2-CD 3.35Å
221V91.1Very high90.6Very high9 Ų941.8 Ų41.86%0.05520%0.197CC..Hα-helixtrans-64.6-45.8179.2-177.20000110.5H186 T217 P218 A223 R224 L225H186-V221 HydrophobicContact CB-CG2 4.39Å; T217-V221 PolarHBondContact O-N 2.91Å; P218-V221 PolarHBondContact O-N 2.99Å; V221-A223 VanDerWaalsContact C-N 3.28Å; V221-A223 PolarHBondContact O-N 3.18Å; V221-R224 PolarHBondContact O-N 3.2Å; V221-L225 HydrophobicContact CG1-CD1 3.82Å; V221-L225 HydrophobicContact CG1-CG 4.34Å; V221-L225 WeakPolarHBondContact O-CB 3.35Å; V221-L225 VanDerWaalsContact O-CG 3.3Å; V221-L225 WeakPolarHBondContact O-CG 3.36Å; V221-L225 PolarHBondContact O-N 2.81Å
222A91.9Very high90.9Very high0 Ų043.9 Ų43.90%021%0.207CC..Hα-helixtrans-58-42.4174.800000111.3P218 G226 H227 L230 A231 L234P218-A222 WeakPolarHBondContact O-CB 3.47Å; P218-A222 PolarHBondContact O-N 3.43Å; A222-G226 CarbonylContact O-C 3.55Å; A222-G226 PolarHBondContact O-N 2.89Å; A222-H227 PolarHBondContact O-N 3.34Å; A222-L230 HydrophobicContact CB-CB 4.31Å; A222-L230 HydrophobicContact CB-CD2 3.81Å; A222-L230 HydrophobicContact CB-CG 3.95Å; A222-A231 HydrophobicContact CB-CB 4.35Å; A222-L234 HydrophobicContact CB-CD1 4.22Å
223A92.3Very high91.3Very high0 Ų037.4 Ų37.40%018%0.177CC..Hα-helixtrans-66.8-44.2179.100000112.8L219 H220 V221 L225 G226 P251 A254 A255 L276L219-A223 VanDerWaalsContact O-CB 3.24Å; L219-A223 WeakPolarHBondContact O-CB 3.4Å; L219-A223 PolarHBondContact O-N 2.94Å; H220-A223 PolarHBondContact O-N 3.34Å; V221-A223 VanDerWaalsContact C-N 3.28Å; V221-A223 PolarHBondContact O-N 3.18Å; A223-L225 VanDerWaalsContact C-N 3.34Å; A223-L225 PolarHBondContact O-N 2.91Å; A223-G226 PolarHBondContact O-N 3.34Å; A223-G226 VanDerWaalsContact O-N 3.1Å; A223-P251 HydrophobicContact CB-CB 4.31Å; A223-P251 VanDerWaalsContact CB-O 3.3Å; A223-P251 WeakPolarHBondContact CB-O 3.22Å; A223-A254 HydrophobicContact CB-CB 4.21Å; A223-A255 HydrophobicContact CB-CB 4.24Å; A223-L276 HydrophobicContact CB-CD2 4Å; A223-L276 WeakPolarHBondContact O-CD2 3.45Å
224R89.3Confident92Very high93 Ų9331.1 Ų31.135%0.35115%0.148SC..Hα-helixtrans-65.3-35.6178.5-178.2166.163.4-105.812113E216 H220 V221 G226E216-R224 IonicContact OE1-CZ 2.85Å; E216-R224 IonicContact OE1-NH1 3.35Å; E216-R224 PolarHBondContact OE1-NH1 2.8Å; E216-R224 IonicContact OE1-NH2 3.61Å; E216-R224 IonicContact OE2-CZ 3.72Å; E216-R224 VanDerWaalsContact OE2-CZ 3.26Å; E216-R224 IonicContact OE2-NH1 3.46Å; E216-R224 PolarHBondContact OE2-NH1 2.62Å; E216-R224 IonicContact OE2-NH2 3.17Å; E216-R224 PolarHBondContact OE2-NH2 3.25Å; H220-R224 WeakPolarHBondContact O-CB 3.17Å; H220-R224 PolarHBondContact O-N 3.04Å; V221-R224 PolarHBondContact O-N 3.2Å; R224-G226 VanDerWaalsContact C-N 3.3Å
225L86.5Confident92.5Very high67 Ų6728.2 Ų28.235%0.35114%0.135SC..Hα-helixtrans-82.2-10.3175.3-62.6177.1000112.7R189 V221 A223 H227R189-L225 HydrophobicContact CG-CD1 3.91Å; V221-L225 HydrophobicContact CG1-CD1 3.82Å; V221-L225 HydrophobicContact CG1-CG 4.34Å; V221-L225 WeakPolarHBondContact O-CB 3.35Å; V221-L225 VanDerWaalsContact O-CG 3.3Å; V221-L225 WeakPolarHBondContact O-CG 3.36Å; V221-L225 PolarHBondContact O-N 2.81Å; A223-L225 VanDerWaalsContact C-N 3.34Å; A223-L225 PolarHBondContact O-N 2.91Å; L225-H227 VanDerWaalsContact C-N 3.33Å
226G87.5Confident92.7Very high3 Ų333 Ų333%0.03115%0.15CC..THydrogen-bonded Turntrans73.218.5-176.500000114.1A222 A223 R224 V228 R272A222-G226 CarbonylContact O-C 3.55Å; A222-G226 PolarHBondContact O-N 2.89Å; A223-G226 PolarHBondContact O-N 3.34Å; A223-G226 VanDerWaalsContact O-N 3.1Å; R224-G226 VanDerWaalsContact C-N 3.3Å; G226-V228 PolarHBondContact O-N 2.92Å; G226-R272 WeakPolarHBondContact O-CD 3.4Å; G226-R272 WeakPolarHBondContact O-CG 3.41Å
227H89.7Confident92.8Very high63 Ų6337.5 Ų37.529%0.29217%0.166SC..  trans-75.386-179.2-67.2-40.4000111.8A222 L225 E229 L230 A231A222-H227 PolarHBondContact O-N 3.34Å; L225-H227 VanDerWaalsContact C-N 3.33Å; H227-E229 PolarHBondContact O-N 3.49Å; H227-L230 HydrophobicContact CB-CB 3.89Å; H227-L230 HydrophobicContact CB-CD2 4.42Å; H227-L230 PolarHBondContact O-N 3.03Å; H227-A231 PolarHBondContact O-N 3.19Å
228V91.8Very high92.6Very high16 Ų1640.1 Ų40.110%0.09719%0.193CC..Hα-helixtrans-57.6-47.2-176.3-177.90000112.5G226 L230 A231 D232 R272 Q275 L276 L279G226-V228 PolarHBondContact O-N 2.92Å; V228-L230 VanDerWaalsContact C-N 3.35Å; V228-L230 PolarHBondContact O-N 2.98Å; V228-A231 PolarHBondContact O-N 2.91Å; V228-D232 PolarHBondContact O-N 3.16Å; V228-R272 HydrophobicContact CG2-CG 3.56Å; V228-Q275 HydrophobicContact CG1-CB 4.48Å; V228-Q275 HydrophobicContact CG1-CG 3.84Å; V228-Q275 HydrophobicContact CG2-CB 4.35Å; V228-Q275 HydrophobicContact CG2-CG 4.49Å; V228-L276 HydrophobicContact CG2-CB 4.23Å; V228-L279 HydrophobicContact CG1-CD1 4.16Å
229E92.9Very high92.7Very high141 Ų14140.3 Ų40.366%0.65920%0.195SC*.Hα-helixtrans-68.3-35.7-176.3-56.1179.3164.900112L194 H227 D232 L233L194-E229 HydrophobicContact CD1-CB 3.51Å; H227-E229 PolarHBondContact O-N 3.49Å; E229-D232 PolarHBondContact O-N 2.99Å; E229-L233 WeakPolarHBondContact O-CB 3.48Å; E229-L233 PolarHBondContact O-N 3Å
230L93.3Very high92.6Very high8 Ų842.9 Ų42.94%0.04221%0.212CC..Hα-helixtrans-66.2-42.1173.2179.961.6000111T193 A197 A222 H227 V228 L233 L234T193-L230 HydrophobicContact CG2-CD1 4.42Å; T193-L230 HydrophobicContact CG2-CD2 3.83Å; A197-L230 HydrophobicContact CB-CD1 3.42Å; A197-L230 VanDerWaalsContact CB-CD1 3.42Å; A222-L230 HydrophobicContact CB-CB 4.31Å; A222-L230 HydrophobicContact CB-CD2 3.81Å; A222-L230 HydrophobicContact CB-CG 3.95Å; H227-L230 HydrophobicContact CB-CB 3.89Å; H227-L230 HydrophobicContact CB-CD2 4.42Å; H227-L230 PolarHBondContact O-N 3.03Å; V228-L230 VanDerWaalsContact C-N 3.35Å; V228-L230 PolarHBondContact O-N 2.98Å; L230-L233 PolarHBondContact O-N 2.87Å; L230-L234 HydrophobicContact CD1-CD1 4.35Å; L230-L234 HydrophobicContact CD1-CG 4.35Å; L230-L234 HydrophobicContact CG-CD1 4.09Å; L230-L234 WeakPolarHBondContact O-CB 3.45Å; L230-L234 VanDerWaalsContact O-CG 3.25Å; L230-L234 WeakPolarHBondContact O-CG 3.28Å; L230-L234 PolarHBondContact O-N 3.14Å
231A94.4Very high92.6Very high0 Ų043.9 Ų43.90%022%0.219CC..Hα-helixtrans-62.7-42175.600000111.9L219 A222 H227 V228 L234 L235 L276L219-A231 HydrophobicContact CD1-CB 3.84Å; A222-A231 HydrophobicContact CB-CB 4.35Å; H227-A231 PolarHBondContact O-N 3.19Å; V228-A231 PolarHBondContact O-N 2.91Å; A231-L234 PolarHBondContact O-N 2.92Å; A231-L235 WeakPolarHBondContact O-CB 3.28Å; A231-L235 WeakPolarHBondContact O-CG 3.45Å; A231-L235 PolarHBondContact O-N 3.06Å; A231-L276 HydrophobicContact CB-CD1 3.48Å; A231-L276 VanDerWaalsContact CB-CD1 3.48Å
232D95.1Very high92.8Very high50 Ų5046.2 Ų46.227%0.26723%0.231SC..Hα-helixtrans-58.4-48.8173.8-169.247.2000111.3V228 E229 L234 L235 R236 L279V228-D232 PolarHBondContact O-N 3.16Å; E229-D232 PolarHBondContact O-N 2.99Å; D232-L234 PolarHBondContact O-N 2.66Å; D232-L235 PolarHBondContact O-N 3.16Å; D232-R236 VanDerWaalsContact CG-NE 3.32Å; D232-R236 WeakPolarHBondContact O-CB 3.24Å; D232-R236 VanDerWaalsContact O-CG 3.27Å; D232-R236 WeakPolarHBondContact O-CG 3.33Å; D232-R236 PolarHBondContact O-N 3.19Å; D232-R236 IonicContact OD1-CZ 3.86Å; D232-R236 IonicContact OD1-NE 3.01Å; D232-R236 PolarHBondContact OD1-NE 2.8Å; D232-R236 IonicContact OD1-NH2 3.9Å; D232-R236 PolarHBondContact OD1-NH2 2.88Å; D232-R236 IonicContact OD2-CZ 2.62Å; D232-R236 VanDerWaalsContact OD2-CZ 3.31Å; D232-R236 IonicContact OD2-NE 3.88Å; D232-R236 PolarHBondContact OD2-NE 3.4Å; D232-R236 IonicContact OD2-NH2 3.88Å; D232-R236 PolarHBondContact OD2-NH2 3.24Å; D232-L279 HydrophobicContact CB-CD1 3.6Å
233L94.9Very high92.9Very high12 Ų1246.7 Ų46.76%0.06324%0.235CC..Hα-helixtrans-58.7-47.7178.1177.668.8000111.6A197 E198 L201 E229 L230 R236 R237A197-L233 HydrophobicContact CB-CD2 3.88Å; E198-L233 HydrophobicContact CB-CD2 4.45Å; E198-L233 HydrophobicContact CG-CD1 3.77Å; E198-L233 HydrophobicContact CG-CD2 3.54Å; E198-L233 HydrophobicContact CG-CG 4.31Å; L201-L233 HydrophobicContact CD1-CD2 4.31Å; L201-L233 HydrophobicContact CD1-CG 4.29Å; E229-L233 WeakPolarHBondContact O-CB 3.48Å; E229-L233 PolarHBondContact O-N 3Å; L230-L233 PolarHBondContact O-N 2.87Å; L233-R236 PolarHBondContact O-N 2.9Å; L233-R237 HydrophobicContact CD1-CG 4.35Å; L233-R237 WeakPolarHBondContact O-CB 3.4Å; L233-R237 WeakPolarHBondContact O-CG 3.35Å; L233-R237 PolarHBondContact O-N 2.95Å; L233-R237 VanDerWaalsContact O-N 3.08Å
234L95.3Very high93Very high1 Ų152.7 Ų52.71%0.00526%0.258CS..Hα-helixtrans-62-44.9-179.5-71.4170.2000111.4L185 L201 V207 P218 L219 A222 L230 A231 D232 R237 G238 A239L185-L234 HydrophobicContact CD2-CD2 4.03Å; L185-L234 HydrophobicContact CG-CD2 4.49Å; L201-L234 HydrophobicContact CD1-CD2 4.2Å; V207-L234 HydrophobicContact CG1-CD2 4.31Å; P218-L234 HydrophobicContact CB-CD1 3.93Å; P218-L234 HydrophobicContact CB-CD2 4.21Å; L219-L234 HydrophobicContact CB-CD1 4.32Å; L219-L234 HydrophobicContact CD1-CB 4.26Å; L219-L234 HydrophobicContact CD1-CD1 4.37Å; A222-L234 HydrophobicContact CB-CD1 4.22Å; L230-L234 HydrophobicContact CD1-CD1 4.35Å; L230-L234 HydrophobicContact CD1-CG 4.35Å; L230-L234 HydrophobicContact CG-CD1 4.09Å; L230-L234 WeakPolarHBondContact O-CB 3.45Å; L230-L234 VanDerWaalsContact O-CG 3.25Å; L230-L234 WeakPolarHBondContact O-CG 3.28Å; L230-L234 PolarHBondContact O-N 3.14Å; A231-L234 PolarHBondContact O-N 2.92Å; D232-L234 PolarHBondContact O-N 2.66Å; L234-R237 CarbonylContact O-C 3.59Å; L234-R237 WeakPolarHBondContact O-CA 3.43Å; L234-R237 PolarHBondContact O-N 2.69Å; L234-R237 VanDerWaalsContact O-N 3.1Å; L234-G238 PolarHBondContact O-N 2.87Å; L234-A239 HydrophobicContact CB-CB 4Å; L234-A239 VanDerWaalsContact O-CB 3.23Å; L234-A239 WeakPolarHBondContact O-CB 3.32Å; L234-A239 PolarHBondContact O-N 2.63Å
235L95.4Very high93.1Very high26 Ų2648.9 Ų48.914%0.13624%0.244CC..Hα-helixtrans-64.9-41.8177.8-73.4171.1000112.4L219 A231 D232 R237 G238 A239 P241 L279 L280 A283L219-L235 HydrophobicContact CD1-CG 4.19Å; L219-L235 HydrophobicContact CD2-CD2 3.72Å; L219-L235 HydrophobicContact CD2-CG 4.22Å; A231-L235 WeakPolarHBondContact O-CB 3.28Å; A231-L235 WeakPolarHBondContact O-CG 3.45Å; A231-L235 PolarHBondContact O-N 3.06Å; D232-L235 PolarHBondContact O-N 3.16Å; L235-R237 PolarHBondContact O-N 3.17Å; L235-G238 PolarHBondContact O-N 3.28Å; L235-A239 HydrophobicContact CD2-CB 4.35Å; L235-P241 HydrophobicContact CD2-CB 4.01Å; L235-L279 HydrophobicContact CD1-CD2 3.13Å; L235-L279 HydrophobicContact CD1-CG 4.47Å; L235-L279 HydrophobicContact CG-CD2 4.42Å; L235-L280 HydrophobicContact CD1-CD2 3.97Å; L235-A283 HydrophobicContact CB-CB 4.47Å; L235-A283 HydrophobicContact CD1-CB 3.62Å; L235-A283 HydrophobicContact CD2-CB 3.93Å; L235-A283 HydrophobicContact CG-CB 4.22Å
236R94.9Very high93.3Very high184 Ų18447.8 Ų47.869%0.69425%0.245SC*.Hα-helixtrans-60.7-26.7172.8-72.3177.1-168.2-80.1-8.1113D232 L233 G238D232-R236 VanDerWaalsContact CG-NE 3.32Å; D232-R236 WeakPolarHBondContact O-CB 3.24Å; D232-R236 VanDerWaalsContact O-CG 3.27Å; D232-R236 WeakPolarHBondContact O-CG 3.33Å; D232-R236 PolarHBondContact O-N 3.19Å; D232-R236 IonicContact OD1-CZ 3.86Å; D232-R236 IonicContact OD1-NE 3.01Å; D232-R236 PolarHBondContact OD1-NE 2.8Å; D232-R236 IonicContact OD1-NH2 3.9Å; D232-R236 PolarHBondContact OD1-NH2 2.88Å; D232-R236 IonicContact OD2-CZ 2.62Å; D232-R236 VanDerWaalsContact OD2-CZ 3.31Å; D232-R236 IonicContact OD2-NE 3.88Å; D232-R236 PolarHBondContact OD2-NE 3.4Å; D232-R236 IonicContact OD2-NH2 3.88Å; D232-R236 PolarHBondContact OD2-NH2 3.24Å; L233-R236 PolarHBondContact O-N 2.9Å; R236-G238 VanDerWaalsContact C-N 3.3Å
237R93.8Very high93.4Very high110 Ų11052.9 Ų52.942%0.41527%0.268SS..THydrogen-bonded Turntrans-91.89.1177.8-61.8-71.2179.4807.3112.7L201 V207 L233 L234 L235L201-R237 HydrophobicContact CD1-CB 4.15Å; L201-R237 HydrophobicContact CD1-CG 3.87Å; V207-R237 HydrophobicContact CG2-CB 4.15Å; L233-R237 HydrophobicContact CD1-CG 4.35Å; L233-R237 WeakPolarHBondContact O-CB 3.4Å; L233-R237 WeakPolarHBondContact O-CG 3.35Å; L233-R237 PolarHBondContact O-N 2.95Å; L233-R237 VanDerWaalsContact O-N 3.08Å; L234-R237 CarbonylContact O-C 3.59Å; L234-R237 WeakPolarHBondContact O-CA 3.43Å; L234-R237 PolarHBondContact O-N 2.69Å; L234-R237 VanDerWaalsContact O-N 3.1Å; L235-R237 PolarHBondContact O-N 3.17Å
238G92.1Very high93.5Very high56 Ų5650.3 Ų50.358%0.57726%0.258SS*.THydrogen-bonded Turntrans90.622.2171.800000114.7L234 L235 R236L234-G238 PolarHBondContact O-N 2.87Å; L235-G238 PolarHBondContact O-N 3.28Å; R236-G238 VanDerWaalsContact C-N 3.3Å
239A94.7Very high93.5Very high6 Ų651.9 Ų51.95%0.0526%0.262CS..  trans-60.2140172.100000110.9V207 D208 L219 L234 L235 P241V207-A239 HydrophobicContact CG1-CB 3.51Å; D208-A239 WeakPolarHBondContact OD1-CA 3.46Å; L219-A239 HydrophobicContact CD2-CB 4.09Å; L234-A239 HydrophobicContact CB-CB 4Å; L234-A239 VanDerWaalsContact O-CB 3.23Å; L234-A239 WeakPolarHBondContact O-CB 3.32Å; L234-A239 PolarHBondContact O-N 2.63Å; L235-A239 HydrophobicContact CD2-CB 4.35Å; A239-P241 VanDerWaalsContact O-CD 3.31Å; A239-P241 WeakPolarHBondContact O-CD 3.37Å
240C94.4Very high93.6Very high55 Ų5545.2 Ų45.237%0.37223%0.231SC..  trans-76116.3176.4-175.40000110.6D208 D242 A243D208-C240 PolarHBondContact OD1-N 3.41Å; D208-C240 PolarHBondContact OD2-N 2.72Å; C240-D242 PolarHBondContact O-N 2.95Å; C240-A243 HydrophobicContact CB-CB 4.24Å; C240-A243 PolarHBondContact O-N 3.26Å
241P94.3Very high93.7Very high22 Ų2244.8 Ų44.814%0.14323%0.229CC..THydrogen-bonded Turntrans-68.4-22.3-17928.2-35.1000113.3L235 A239 P251 A285L235-P241 HydrophobicContact CD2-CB 4.01Å; A239-P241 VanDerWaalsContact O-CD 3.31Å; A239-P241 WeakPolarHBondContact O-CD 3.37Å; P241-P251 VanDerWaalsContact O-CD 3.28Å; P241-P251 WeakPolarHBondContact O-CD 3.35Å; P241-A285 HydrophobicContact CB-CB 3.99Å
242D94.1Very high93.7Very high58 Ų5844.8 Ų44.831%0.3123%0.229SC..THydrogen-bonded Turntrans-106.217.9-179.4-66.5-37.6000113.2C240 R244 A285 D286C240-D242 PolarHBondContact O-N 2.95Å; D242-R244 PolarHBondContact O-N 3.48Å; D242-A285 WeakPolarHBondContact OD1-CA 3.3Å; D242-D286 PolarHBondContact OD1-N 3.16Å
243A94.1Very high93.6Very high10 Ų1042.4 Ų42.48%0.08322%0.216CC..  trans-53.8135172.700000109.6T217 H220 C240 T250 P251T217-A243 HydrophobicContact CG2-CB 3.82Å; H220-A243 PolarHBondContact CE1-O 2.88Å; H220-A243 PolarHBondContact NE2-O 3.48Å; C240-A243 HydrophobicContact CB-CB 4.24Å; C240-A243 PolarHBondContact O-N 3.26Å; A243-T250 WeakPolarHBondContact O-CA 3.38Å; A243-P251 VanDerWaalsContact O-CD 3.28Å; A243-P251 WeakPolarHBondContact O-CD 3.42Å
244R93.7Very high93.4Very high125 Ų12542.1 Ų42.147%0.47222%0.215SC..  trans-107.9131.6177.4-66.2-173.8-178.9-156.1-3.6110.2D242 W249 T250D242-R244 PolarHBondContact O-N 3.48Å; R244-W249 VanDerWaalsContact CA-O 3.32Å; R244-W249 WeakPolarHBondContact CA-O 3.2Å; R244-T250 HydrophobicContact CG-CG2 4.22Å
245N92.7Very high93.2Very high14 Ų1442 Ų428%0.07522%0.215CC..  trans-81.2-176.2171.281.1-8.8000111.2E214 E216 E247 G248 W249E214-N245 WeakPolarHBondContact O-CB 3.28Å; E216-N245 HydrophobicContact CG-CB 4.02Å; N245-E247 PolarHBondContact O-N 3.4Å; N245-E247 PolarHBondContact OD1-N 2.87Å; N245-G248 PolarHBondContact O-N 2.85Å; N245-G248 PolarHBondContact OD1-N 3.1Å; N245-G248 VanDerWaalsContact OD1-N 3.14Å; N245-W249 PolarHBondContact N-O 2.91Å; N245-W249 WeakPolarHBondContact OD1-CA 3.45Å; N245-W249 WeakPolarHBondContact OD1-CB 2.82Å; N245-W249 PolarHBondContact OD1-N 2.91Å
246A91.3Very high92.9Very high44 Ų4440.8 Ų40.836%0.36421%0.209SC..THydrogen-bonded Turntrans-61.8-25.2-176.700000113.7E214 E215 Q292E214-A246 WeakPolarHBondContact O-CB 3.49Å; E214-A246 PolarHBondContact O-N 3.42Å; E215-A246 HydrophobicContact CB-CB 4.24Å; E215-A246 HydrophobicContact CG-CB 4.32Å; A246-Q292 PolarHBondContact O-NE2 2.92Å
247E88.6Confident92.6Very high110 Ų11033.2 Ų33.251%0.51418%0.182SC..THydrogen-bonded Turntrans-921.8176.1-62.6-177.8177.700112.6N245 W249 Q292N245-E247 PolarHBondContact O-N 3.4Å; N245-E247 PolarHBondContact OD1-N 2.87Å; E247-W249 VanDerWaalsContact C-N 3.28Å; E247-W249 VanDerWaalsContact CB-CD1 3.44Å; E247-W249 HydrophobicContact CB-CG 4.46Å; E247-W249 PolarHBondContact O-N 3.01Å; E247-W249 PolarHBondContact OE2-NE1 3.2Å; E247-Q292 WeakPolarHBondContact O-CB 3.16Å; E247-Q292 WeakPolarHBondContact O-CG 3.3Å; E247-Q292 PolarHBondContact O-N 3Å
248G91Very high92.1Very high8 Ų829 Ų298%0.08217%0.168CC..  trans77.310.3-176.100000114.4N245N245-G248 PolarHBondContact O-N 2.85Å; N245-G248 PolarHBondContact OD1-N 3.1Å; N245-G248 VanDerWaalsContact OD1-N 3.14Å
249W93.1Very high91.2Very high49 Ų4934.4 Ų34.419%0.18617%0.171CC..  trans-71141.7176.4-69.446.2000110.3H220 R244 N245 E247 L253 A254 D257 L300H220-W249 PolarHBondContact NE2-O 3.46Å; R244-W249 VanDerWaalsContact CA-O 3.32Å; R244-W249 WeakPolarHBondContact CA-O 3.2Å; N245-W249 PolarHBondContact N-O 2.91Å; N245-W249 WeakPolarHBondContact OD1-CA 3.45Å; N245-W249 WeakPolarHBondContact OD1-CB 2.82Å; N245-W249 PolarHBondContact OD1-N 2.91Å; E247-W249 VanDerWaalsContact C-N 3.28Å; E247-W249 VanDerWaalsContact CB-CD1 3.44Å; E247-W249 HydrophobicContact CB-CG 4.46Å; E247-W249 PolarHBondContact O-N 3.01Å; E247-W249 PolarHBondContact OE2-NE1 3.2Å; W249-L253 HydrophobicContact CB-CB 4.41Å; W249-L253 HydrophobicContact CD2-CB 4.46Å; W249-L253 HydrophobicContact CE3-CB 4.12Å; W249-A254 HydrophobicContact CE3-CB 4.45Å; W249-D257 HydrophobicContact CH2-CB 3.95Å; W249-D257 HydrophobicContact CZ3-CB 3.67Å; W249-L300 HydrophobicContact CH2-CD1 4.39Å; W249-L300 HydrophobicContact CZ3-CD1 4.33Å
250T94.9Very high89.9Confident1 Ų136.3 Ų36.31%0.00618%0.184CC..  trans-97.5161.9168.161.60000110.1A243 R244 L252 L253 A254 A289A243-T250 WeakPolarHBondContact O-CA 3.38Å; R244-T250 HydrophobicContact CG-CG2 4.22Å; T250-L252 PolarHBondContact O-N 3.27Å; T250-L252 VanDerWaalsContact O-N 3.16Å; T250-L253 WeakPolarHBondContact O-CB 3.42Å; T250-L253 PolarHBondContact O-N 3.42Å; T250-L253 PolarHBondContact OG1-N 3.22Å; T250-A254 PolarHBondContact O-N 3.38Å; T250-A289 HydrophobicContact CG2-CB 3.75Å
251P94.1Very high88.5Confident0 Ų043.2 Ų43.20%021%0.211CC..Hα-helixtrans-53-34.1170.5-26.933.3000113.1L219 H220 A223 P241 A243 A254 A255 L280L219-P251 HydrophobicContact CB-CG 4.31Å; L219-P251 HydrophobicContact CD2-CB 4.08Å; L219-P251 HydrophobicContact CD2-CG 3.79Å; L219-P251 HydrophobicContact CG-CB 3.88Å; L219-P251 HydrophobicContact CG-CG 3.88Å; H220-P251 WeakPolarHBondContact NE2-CD 3.35Å; A223-P251 HydrophobicContact CB-CB 4.31Å; A223-P251 VanDerWaalsContact CB-O 3.3Å; A223-P251 WeakPolarHBondContact CB-O 3.22Å; P241-P251 VanDerWaalsContact O-CD 3.28Å; P241-P251 WeakPolarHBondContact O-CD 3.35Å; A243-P251 VanDerWaalsContact O-CD 3.28Å; A243-P251 WeakPolarHBondContact O-CD 3.42Å; P251-A254 PolarHBondContact O-N 3Å; P251-A255 WeakPolarHBondContact O-CB 3.4Å; P251-A255 PolarHBondContact O-N 3.02Å; P251-L280 HydrophobicContact CB-CD1 4.27Å; P251-L280 HydrophobicContact CB-CD2 4.04Å
252L94.7Very high87Confident0 Ų044.5 Ų44.50%022%0.22CC..Hα-helixtrans-67-40.6176.2-174.265.9000112.3T250 A255 C256 C277 L280 L281 A285 P297 L313T250-L252 PolarHBondContact O-N 3.27Å; T250-L252 VanDerWaalsContact O-N 3.16Å; L252-A255 PolarHBondContact O-N 3.05Å; L252-C256 PolarHBondContact O-N 3.39Å; L252-C256 PolarHBondContact O-SG 2.9Å; L252-C277 HydrophobicContact CD1-CB 4.05Å; L252-L280 HydrophobicContact CB-CD1 4.31Å; L252-L280 HydrophobicContact CD1-CB 4.22Å; L252-L280 HydrophobicContact CD1-CD1 4.2Å; L252-L281 HydrophobicContact CD1-CG 4.23Å; L252-L281 HydrophobicContact CD2-CD2 3.78Å; L252-L281 HydrophobicContact CD2-CG 4.34Å; L252-A285 HydrophobicContact CD2-CB 4.44Å; L252-P297 HydrophobicContact CD2-CB 4.17Å; L252-P297 HydrophobicContact CD2-CG 3.74Å; L252-P297 HydrophobicContact CG-CB 4.2Å; L252-P297 HydrophobicContact CG-CG 3.97Å; L252-L313 HydrophobicContact CD2-CD2 4.39Å
253L93.3Very high85.6Confident0 Ų048 Ų480%024%0.237CC..Hα-helixtrans-62.2-45.1172.6-76.7163.3000111W249 T250 A255 C256 D257 D291 R296 P297 L300W249-L253 HydrophobicContact CB-CB 4.41Å; W249-L253 HydrophobicContact CD2-CB 4.46Å; W249-L253 HydrophobicContact CE3-CB 4.12Å; T250-L253 WeakPolarHBondContact O-CB 3.42Å; T250-L253 PolarHBondContact O-N 3.42Å; T250-L253 PolarHBondContact OG1-N 3.22Å; L253-A255 VanDerWaalsContact C-N 3.34Å; L253-A255 PolarHBondContact O-N 3.21Å; L253-C256 PolarHBondContact O-N 3.16Å; L253-C256 VanDerWaalsContact O-N 3.16Å; L253-D257 PolarHBondContact O-N 2.87Å; L253-D257 VanDerWaalsContact O-N 3.09Å; L253-D291 HydrophobicContact CD1-CB 3.99Å; L253-R296 VanDerWaalsContact CD2-C 3.48Å; L253-P297 HydrophobicContact CD2-CG 4.02Å; L253-P297 HydrophobicContact CG-CG 4.19Å; L253-L300 HydrophobicContact CB-CD1 4.15Å; L253-L300 HydrophobicContact CD2-CD1 3.53Å; L253-L300 HydrophobicContact CD2-CG 4.34Å; L253-L300 HydrophobicContact CG-CD1 4.48Å
254A91.8Very high84.3Confident5 Ų552.9 Ų52.94%0.04127%0.267CS..Hα-helixtrans-61-40.1176.400000112.6A223 W249 T250 P251 C256 D257A223-A254 HydrophobicContact CB-CB 4.21Å; W249-A254 HydrophobicContact CE3-CB 4.45Å; T250-A254 PolarHBondContact O-N 3.38Å; P251-A254 PolarHBondContact O-N 3Å; A254-C256 VanDerWaalsContact C-N 3.34Å; A254-D257 PolarHBondContact O-N 3.33Å
255A91.3Very high83.2Confident0 Ų051.3 Ų51.30%027%0.268CS..Hα-helixtrans-63.9-37.317500000112.6A223 P251 L252 L253 V258 L276 L280A223-A255 HydrophobicContact CB-CB 4.24Å; P251-A255 WeakPolarHBondContact O-CB 3.4Å; P251-A255 PolarHBondContact O-N 3.02Å; L252-A255 PolarHBondContact O-N 3.05Å; L253-A255 VanDerWaalsContact C-N 3.34Å; L253-A255 PolarHBondContact O-N 3.21Å; A255-V258 WeakPolarHBondContact O-CG2 3.44Å; A255-L276 HydrophobicContact CB-CD2 3.47Å; A255-L276 VanDerWaalsContact CB-CD2 3.47Å; A255-L276 HydrophobicContact CB-CG 3.96Å; A255-L280 HydrophobicContact CB-CD1 4.06Å
256C88.8Confident82.3Confident0 Ų052 Ų520%028%0.275CS..Hα-helixtrans-75.4-24179.6-68.20000113.2L252 L253 A254 V258 L300 R304L252-C256 PolarHBondContact O-N 3.39Å; L252-C256 PolarHBondContact O-SG 2.9Å; L253-C256 PolarHBondContact O-N 3.16Å; L253-C256 VanDerWaalsContact O-N 3.16Å; A254-C256 VanDerWaalsContact C-N 3.34Å; C256-V258 VanDerWaalsContact C-N 3.35Å; C256-L300 HydrophobicContact CB-CB 3.94Å; C256-R304 WeakPolarHBondContact O-CG 3.47Å
257D88.1Confident81.6Confident25 Ų2556.8 Ų56.813%0.13429%0.29CS..THydrogen-bonded Turntrans-83.4-6.8-179.6-162.649.9000114.6W249 L253 A254 R259 L300 R304W249-D257 HydrophobicContact CH2-CB 3.95Å; W249-D257 HydrophobicContact CZ3-CB 3.67Å; L253-D257 PolarHBondContact O-N 2.87Å; L253-D257 VanDerWaalsContact O-N 3.09Å; A254-D257 PolarHBondContact O-N 3.33Å; D257-R259 PolarHBondContact O-N 2.98Å; D257-R259 VanDerWaalsContact O-N 3.15Å; D257-L300 HydrophobicContact CB-CD1 4.29Å; D257-R304 VanDerWaalsContact CG-NH2 3.28Å; D257-R304 PolarHBondContact O-NE 2.72Å; D257-R304 VanDerWaalsContact O-NE 3.1Å; D257-R304 IonicContact OD1-CZ 3.19Å; D257-R304 IonicContact OD1-NE 2.99Å; D257-R304 PolarHBondContact OD1-NE 3.49Å; D257-R304 IonicContact OD1-NH2 2.67Å; D257-R304 PolarHBondContact OD1-NH2 3.26Å; D257-R304 IonicContact OD2-NH2 2.94Å; D257-R304 PolarHBondContact OD2-NH2 3.38Å
258V82.5Confident81.2Confident21 Ų2154 Ų5413%0.12729%0.286CS..  trans-53.6123.7-176.5177.60000110.9A255 C256 T269 H306A255-V258 WeakPolarHBondContact O-CG2 3.44Å; C256-V258 VanDerWaalsContact C-N 3.35Å; V258-T269 HydrophobicContact CG1-CG2 3.76Å; V258-H306 PolarHBondContact O-NE2 3Å
259R74.6Confident80.8Confident169 Ų16954.3 Ų54.364%0.63829%0.286SS*.  trans-93.5129.6-176.9-72.7-178.9-99.5-170.5-3.3110.8D257 Q261D257-R259 PolarHBondContact O-N 2.98Å; D257-R259 VanDerWaalsContact O-N 3.15Å; R259-Q261 PolarHBondContact O-N 2.71Å
260C66.6Low80.2Confident47 Ų4754.5 Ų54.532%0.31829%0.293SS..  trans-72115.7166.3-56.60000108.9A266C260-A266 HydrophobicContact CB-CB 4.24Å
261Q65.3Low79.8Confident199 Ų19957.1 Ų57.193%0.9331%0.314SS*.SBendtrans-83.2-23.8178.7-63.7177.78.600112.3R259R259-Q261 PolarHBondContact O-N 2.71Å
262S63.3Low79.5Confident49 Ų4961.7 Ų61.734%0.34333%0.332SS..SBendtrans-132.7149.3176.9177.90000111T264 A266S262-T264 VanDerWaalsContact C-N 3.29Å; S262-T264 PolarHBondContact OG-N 2.9Å; S262-T264 PolarHBondContact OG-OG1 2.68Å; S262-A266 PolarHBondContact O-N 3.23Å
263I63.4Low79.2Confident131 Ų13161.8 Ų61.867%0.67233%0.332SS*.SBendtrans-67.6-32.3174.7-60.7165.8000110.6D265 A266I263-D265 VanDerWaalsContact C-N 3.28Å; I263-D265 PolarHBondContact O-N 3.21Å; I263-A266 WeakPolarHBondContact O-CB 3.36Å; I263-A266 PolarHBondContact O-N 3.06Å
264T66.3Low79.1Confident114 Ų11464.5 Ų64.570%0.69935%0.347SS*.THydrogen-bonded Turntrans-67-29.7-179.4580000113S262S262-T264 VanDerWaalsContact C-N 3.29Å; S262-T264 PolarHBondContact OG-N 2.9Å; S262-T264 PolarHBondContact OG-OG1 2.68Å
265D71.8Confident79.2Confident92 Ų9270 Ų7049%0.49237%0.371SS..THydrogen-bonded Turntrans-104.54.3-173.7-55.2-13.9000111.7I263 E267 A268 T269I263-D265 VanDerWaalsContact C-N 3.28Å; I263-D265 PolarHBondContact O-N 3.21Å; D265-E267 PolarHBondContact O-N 2.65Å; D265-A268 PolarHBondContact O-N 3.35Å; D265-T269 VanDerWaalsContact O-CB 3.27Å; D265-T269 WeakPolarHBondContact O-CB 3.44Å; D265-T269 PolarHBondContact O-N 3.25Å; D265-T269 PolarHBondContact O-OG1 3.18Å
266A73.2Confident79.3Confident27 Ų2770 Ų7022%0.22337%0.371CS..Hα-helixtrans-62.5-44.6-17600000111.5C260 S262 I263 T269 T270C260-A266 HydrophobicContact CB-CB 4.24Å; S262-A266 PolarHBondContact O-N 3.23Å; I263-A266 WeakPolarHBondContact O-CB 3.36Å; I263-A266 PolarHBondContact O-N 3.06Å; A266-T269 PolarHBondContact O-N 3.48Å; A266-T270 WeakPolarHBondContact O-CG2 3.42Å; A266-T270 PolarHBondContact O-N 3.29Å; A266-T270 PolarHBondContact O-OG1 3.47Å
267E76.4Confident79.5Confident145 Ų14570 Ų7068%0.67837%0.371SS*.Hα-helixtrans-62.3-51.1178.3-67.4-176.9176.300111.4D265 T269 T270 A271D265-E267 PolarHBondContact O-N 2.65Å; E267-T269 VanDerWaalsContact C-N 3.26Å; E267-T269 PolarHBondContact O-N 3.44Å; E267-T270 PolarHBondContact O-N 3.22Å; E267-T270 PolarHBondContact O-OG1 3.2Å; E267-A271 WeakPolarHBondContact O-CB 3.3Å; E267-A271 PolarHBondContact O-N 3.33Å
268A81.6Confident79.8Confident53 Ų5371.7 Ų71.744%0.43839%0.385SS..Hα-helixtrans-60.1-37.7177.500000112.2D265 R272D265-A268 PolarHBondContact O-N 3.35Å; A268-R272 WeakPolarHBondContact O-CB 3.29Å; A268-R272 PolarHBondContact O-N 3.06Å
269T82Confident80.4Confident14 Ų1471.9 Ų71.99%0.08639%0.386CS..Hα-helixtrans-67.4-44.9176.3-57.20000111.2V258 D265 A266 E267 A271 R272 C273V258-T269 HydrophobicContact CG1-CG2 3.76Å; D265-T269 VanDerWaalsContact O-CB 3.27Å; D265-T269 WeakPolarHBondContact O-CB 3.44Å; D265-T269 PolarHBondContact O-N 3.25Å; D265-T269 PolarHBondContact O-OG1 3.18Å; A266-T269 PolarHBondContact O-N 3.48Å; E267-T269 VanDerWaalsContact C-N 3.26Å; E267-T269 PolarHBondContact O-N 3.44Å; T269-A271 PolarHBondContact O-N 2.92Å; T269-R272 PolarHBondContact O-N 3.31Å; T269-C273 WeakPolarHBondContact O-CB 3.3Å; T269-C273 PolarHBondContact O-N 2.62Å; T269-C273 PolarHBondContact O-SG 3.35Å
270T80.3Confident81.4Confident52 Ų5263.9 Ų63.932%0.31936%0.355SS..Hα-helixtrans-63.5-39.9177.263.50000112.1A266 E267 C273 L274 H306A266-T270 WeakPolarHBondContact O-CG2 3.42Å; A266-T270 PolarHBondContact O-N 3.29Å; A266-T270 PolarHBondContact O-OG1 3.47Å; E267-T270 PolarHBondContact O-N 3.22Å; E267-T270 PolarHBondContact O-OG1 3.2Å; T270-C273 PolarHBondContact O-N 3.43Å; T270-L274 WeakPolarHBondContact O-CB 3.5Å; T270-L274 PolarHBondContact O-N 3.05Å; T270-H306 WeakPolarHBondContact CG2-ND1 3.39Å
271A86.2Confident82.7Confident56 Ų5663 Ų6346%0.46335%0.347SS..Hα-helixtrans-63-43.6175.300000111.4E267 T269 L274 Q275E267-A271 WeakPolarHBondContact O-CB 3.3Å; E267-A271 PolarHBondContact O-N 3.33Å; T269-A271 PolarHBondContact O-N 2.92Å; A271-L274 PolarHBondContact O-N 3.3Å; A271-Q275 WeakPolarHBondContact O-CB 3.2Å; A271-Q275 PolarHBondContact O-N 2.92Å
272R88.1Confident84.1Confident96 Ų9658.2 Ų58.236%0.36234%0.336SS..Hα-helixtrans-64.8-42.9176.6-161.2179.2-48104.4-1.7112.2G226 V228 A268 T269 L274 Q275 L276G226-R272 WeakPolarHBondContact O-CD 3.4Å; G226-R272 WeakPolarHBondContact O-CG 3.41Å; V228-R272 HydrophobicContact CG2-CG 3.56Å; A268-R272 WeakPolarHBondContact O-CB 3.29Å; A268-R272 PolarHBondContact O-N 3.06Å; T269-R272 PolarHBondContact O-N 3.31Å; R272-L274 VanDerWaalsContact C-N 3.34Å; R272-Q275 PolarHBondContact O-N 3.36Å; R272-L276 VanDerWaalsContact O-CB 3.28Å; R272-L276 WeakPolarHBondContact O-CB 3.35Å; R272-L276 PolarHBondContact O-N 2.92Å
273C88.8Confident85.5Confident3 Ų358.2 Ų58.22%0.0234%0.339CS..Hα-helixtrans-61.3-43.8175.2-650000111.1T269 T270 L276 C277 V309T269-C273 WeakPolarHBondContact O-CB 3.3Å; T269-C273 PolarHBondContact O-N 2.62Å; T269-C273 PolarHBondContact O-SG 3.35Å; T270-C273 PolarHBondContact O-N 3.43Å; C273-L276 PolarHBondContact O-N 3.39Å; C273-C277 WeakPolarHBondContact O-CB 3.39Å; C273-C277 PolarHBondContact O-N 2.9Å; C273-C277 PolarHBondContact O-SG 2.86Å; C273-V309 HydrophobicContact CB-CG2 4.44Å
274L90.9Very high86.8Confident57 Ų5754.3 Ų54.330%0.29833%0.331SS..Hα-helixtrans-61-47.9176.3-179.467.6000111.7T270 A271 R272 L276 C277 S278 A308 V309 L312T270-L274 WeakPolarHBondContact O-CB 3.5Å; T270-L274 PolarHBondContact O-N 3.05Å; A271-L274 PolarHBondContact O-N 3.3Å; R272-L274 VanDerWaalsContact C-N 3.34Å; L274-L276 VanDerWaalsContact C-N 3.34Å; L274-L276 PolarHBondContact O-N 3.34Å; L274-C277 PolarHBondContact O-N 3.41Å; L274-S278 VanDerWaalsContact O-CB 3.3Å; L274-S278 WeakPolarHBondContact O-CB 3.4Å; L274-S278 PolarHBondContact O-N 3.39Å; L274-A308 HydrophobicContact CD1-CB 3.86Å; L274-A308 HydrophobicContact CD2-CB 3.84Å; L274-A308 HydrophobicContact CG-CB 4.35Å; L274-V309 HydrophobicContact CB-CG2 4.31Å; L274-V309 HydrophobicContact CD1-CG2 4.28Å; L274-L312 HydrophobicContact CD1-CB 4.34Å; L274-L312 HydrophobicContact CD1-CD1 3.71Å
275Q93.2Very high88.1Confident119 Ų11949.3 Ų49.356%0.55630%0.301SS*.Hα-helixtrans-62.2-43.4179.5-167.7178.6-5.800111.3V228 A271 R272 L279V228-Q275 HydrophobicContact CG1-CB 4.48Å; V228-Q275 HydrophobicContact CG1-CG 3.84Å; V228-Q275 HydrophobicContact CG2-CB 4.35Å; V228-Q275 HydrophobicContact CG2-CG 4.49Å; A271-Q275 WeakPolarHBondContact O-CB 3.2Å; A271-Q275 PolarHBondContact O-N 2.92Å; R272-Q275 PolarHBondContact O-N 3.36Å; Q275-L279 VanDerWaalsContact O-CB 3.26Å; Q275-L279 WeakPolarHBondContact O-CB 3.37Å; Q275-L279 PolarHBondContact O-N 3.01Å
276L93.3Very high89.1Confident0 Ų048.5 Ų48.50%030%0.297CS..Hα-helixtrans-64.5-45.3176.8-177.764.9000112.3A223 V228 A231 A255 R272 C273 L274 L279 L280A223-L276 HydrophobicContact CB-CD2 4Å; A223-L276 WeakPolarHBondContact O-CD2 3.45Å; V228-L276 HydrophobicContact CG2-CB 4.23Å; A231-L276 HydrophobicContact CB-CD1 3.48Å; A231-L276 VanDerWaalsContact CB-CD1 3.48Å; A255-L276 HydrophobicContact CB-CD2 3.47Å; A255-L276 VanDerWaalsContact CB-CD2 3.47Å; A255-L276 HydrophobicContact CB-CG 3.96Å; R272-L276 VanDerWaalsContact O-CB 3.28Å; R272-L276 WeakPolarHBondContact O-CB 3.35Å; R272-L276 PolarHBondContact O-N 2.92Å; C273-L276 PolarHBondContact O-N 3.39Å; L274-L276 VanDerWaalsContact C-N 3.34Å; L274-L276 PolarHBondContact O-N 3.34Å; L276-L279 WeakPolarHBondContact O-CB 2.97Å; L276-L279 PolarHBondContact O-N 3Å; L276-L280 HydrophobicContact CD1-CD1 4.46Å; L276-L280 HydrophobicContact CG-CD1 4.19Å; L276-L280 WeakPolarHBondContact O-CG 3.44Å; L276-L280 PolarHBondContact O-N 3.18Å
277C93.8Very high89.9Confident0 Ų047.8 Ų47.80%029%0.291CS..Hα-helixtrans-64.1-43.7177.7-68.10000111.2L252 C273 L274 L279 L280 L281 V309L252-C277 HydrophobicContact CD1-CB 4.05Å; C273-C277 WeakPolarHBondContact O-CB 3.39Å; C273-C277 PolarHBondContact O-N 2.9Å; C273-C277 PolarHBondContact O-SG 2.86Å; L274-C277 PolarHBondContact O-N 3.41Å; C277-L279 VanDerWaalsContact C-N 3.28Å; C277-L279 PolarHBondContact O-N 3.36Å; C277-L280 PolarHBondContact O-N 3.1Å; C277-L281 WeakPolarHBondContact O-CB 3.42Å; C277-L281 WeakPolarHBondContact O-CD1 3.38Å; C277-L281 VanDerWaalsContact O-CG 3.22Å; C277-L281 WeakPolarHBondContact O-CG 3.42Å; C277-L281 PolarHBondContact O-N 3.36Å; C277-V309 HydrophobicContact CB-CG1 4.31Å
278S94.7Very high90.5Very high61 Ų6143.2 Ų43.243%0.42727%0.271SS..Hα-helixtrans-57.2-44.3173.8-176.40000111.4L274 L281 S282L274-S278 VanDerWaalsContact O-CB 3.3Å; L274-S278 WeakPolarHBondContact O-CB 3.4Å; L274-S278 PolarHBondContact O-N 3.39Å; S278-L281 PolarHBondContact O-N 3.26Å; S278-S282 VanDerWaalsContact O-CB 3.28Å; S278-S282 WeakPolarHBondContact O-CB 3.28Å; S278-S282 PolarHBondContact O-N 2.94Å; S278-S282 PolarHBondContact O-OG 3.12Å
279L95.6Very high91Very high26 Ų2640.9 Ų40.914%0.13625%0.252CS..Hα-helixtrans-63.6-49.2178.9-171.2149.1000111.7V228 D232 L235 Q275 L276 C277 L281 S282 A283V228-L279 HydrophobicContact CG1-CD1 4.16Å; D232-L279 HydrophobicContact CB-CD1 3.6Å; L235-L279 HydrophobicContact CD1-CD2 3.13Å; L235-L279 HydrophobicContact CD1-CG 4.47Å; L235-L279 HydrophobicContact CG-CD2 4.42Å; Q275-L279 VanDerWaalsContact O-CB 3.26Å; Q275-L279 WeakPolarHBondContact O-CB 3.37Å; Q275-L279 PolarHBondContact O-N 3.01Å; L276-L279 WeakPolarHBondContact O-CB 2.97Å; L276-L279 PolarHBondContact O-N 3Å; C277-L279 VanDerWaalsContact C-N 3.28Å; C277-L279 PolarHBondContact O-N 3.36Å; L279-L281 PolarHBondContact O-N 3.22Å; L279-S282 PolarHBondContact O-N 3.34Å; L279-S282 PolarHBondContact O-OG 2.75Å; L279-A283 WeakPolarHBondContact O-CB 3.37Å; L279-A283 PolarHBondContact O-N 3.36Å
280L94.4Very high91.4Very high0 Ų041.2 Ų41.20%026%0.256CS..Hα-helixtrans-60.4-44.4177.7-71.5168.9000111.9L219 L235 P251 L252 A255 L276 C277 A283 G284 A285L219-L280 HydrophobicContact CD1-CD2 4.25Å; L219-L280 HydrophobicContact CD2-CD2 4.09Å; L219-L280 HydrophobicContact CG-CD2 4.34Å; L235-L280 HydrophobicContact CD1-CD2 3.97Å; P251-L280 HydrophobicContact CB-CD1 4.27Å; P251-L280 HydrophobicContact CB-CD2 4.04Å; L252-L280 HydrophobicContact CB-CD1 4.31Å; L252-L280 HydrophobicContact CD1-CB 4.22Å; L252-L280 HydrophobicContact CD1-CD1 4.2Å; A255-L280 HydrophobicContact CB-CD1 4.06Å; L276-L280 HydrophobicContact CD1-CD1 4.46Å; L276-L280 HydrophobicContact CG-CD1 4.19Å; L276-L280 WeakPolarHBondContact O-CG 3.44Å; L276-L280 PolarHBondContact O-N 3.18Å; C277-L280 PolarHBondContact O-N 3.1Å; L280-A283 CarbonylContact O-C 3.5Å; L280-A283 WeakPolarHBondContact O-CB 3.34Å; L280-A283 PolarHBondContact O-N 3.06Å; L280-G284 PolarHBondContact O-N 3.4Å; L280-A285 HydrophobicContact CB-CB 4.11Å; L280-A285 WeakPolarHBondContact O-CB 3.28Å; L280-A285 PolarHBondContact O-N 3.09Å
281L94.1Very high91.8Very high28 Ų2839.2 Ų39.215%0.14724%0.243CC..Hα-helixtrans-67.3-37.8178.2-69.5166.8000111.9L252 C277 S278 L279 A283 G284 A285 A287 L312 L313L252-L281 HydrophobicContact CD1-CG 4.23Å; L252-L281 HydrophobicContact CD2-CD2 3.78Å; L252-L281 HydrophobicContact CD2-CG 4.34Å; C277-L281 WeakPolarHBondContact O-CB 3.42Å; C277-L281 WeakPolarHBondContact O-CD1 3.38Å; C277-L281 VanDerWaalsContact O-CG 3.22Å; C277-L281 WeakPolarHBondContact O-CG 3.42Å; C277-L281 PolarHBondContact O-N 3.36Å; S278-L281 PolarHBondContact O-N 3.26Å; L279-L281 PolarHBondContact O-N 3.22Å; L281-A283 PolarHBondContact O-N 2.87Å; L281-G284 PolarHBondContact O-N 3.29Å; L281-A285 HydrophobicContact CD2-CB 4.49Å; L281-A285 WeakPolarHBondContact CD2-O 3.47Å; L281-A287 HydrophobicContact CD2-CB 3.64Å; L281-L312 HydrophobicContact CD1-CD2 3.12Å; L281-L312 HydrophobicContact CD1-CG 4.49Å; L281-L313 HydrophobicContact CD1-CD2 4.11Å
282S94.1Very high91.9Very high100 Ų10043 Ų4370%0.69925%0.251SS*.Hα-helixtrans-65.8-28.1173.576.40000112.9S278 L279 G284S278-S282 VanDerWaalsContact O-CB 3.28Å; S278-S282 WeakPolarHBondContact O-CB 3.28Å; S278-S282 PolarHBondContact O-N 2.94Å; S278-S282 PolarHBondContact O-OG 3.12Å; L279-S282 PolarHBondContact O-N 3.34Å; L279-S282 PolarHBondContact O-OG 2.75Å; S282-G284 PolarHBondContact O-N 2.88Å
283A92.4Very high91.8Very high48 Ų4842.8 Ų42.840%0.39726%0.258SS..THydrogen-bonded Turntrans-80.1-1.3173.600000113.2L235 L279 L280 L281L235-A283 HydrophobicContact CB-CB 4.47Å; L235-A283 HydrophobicContact CD1-CB 3.62Å; L235-A283 HydrophobicContact CD2-CB 3.93Å; L235-A283 HydrophobicContact CG-CB 4.22Å; L279-A283 WeakPolarHBondContact O-CB 3.37Å; L279-A283 PolarHBondContact O-N 3.36Å; L280-A283 CarbonylContact O-C 3.5Å; L280-A283 WeakPolarHBondContact O-CB 3.34Å; L280-A283 PolarHBondContact O-N 3.06Å; L281-A283 PolarHBondContact O-N 2.87Å
284G91.1Very high91.7Very high50 Ų5048.5 Ų48.552%0.51528%0.282SS..THydrogen-bonded Turntrans95.817.4176.400000115.2L280 L281 S282L280-G284 PolarHBondContact O-N 3.4Å; L281-G284 PolarHBondContact O-N 3.29Å; S282-G284 PolarHBondContact O-N 2.88Å
285A93.6Very high91.5Very high9 Ų946.9 Ų46.97%0.07427%0.273CS..  trans-59.3140.6172.700000111.7P241 D242 L252 L280 L281 A287P241-A285 HydrophobicContact CB-CB 3.99Å; D242-A285 WeakPolarHBondContact OD1-CA 3.3Å; L252-A285 HydrophobicContact CD2-CB 4.44Å; L280-A285 HydrophobicContact CB-CB 4.11Å; L280-A285 WeakPolarHBondContact O-CB 3.28Å; L280-A285 PolarHBondContact O-N 3.09Å; L281-A285 HydrophobicContact CD2-CB 4.49Å; L281-A285 WeakPolarHBondContact CD2-O 3.47Å; A285-A287 PolarHBondContact O-N 3.4Å
286D92.5Very high91.5Very high75 Ų7544 Ų4440%0.40126%0.257SS..  trans-73.3110.3173.6178.512.3000110.7D242 D288 A289D242-D286 PolarHBondContact OD1-N 3.16Å; D286-D288 PolarHBondContact O-N 3.13Å; D286-D288 PolarHBondContact OD1-N 2.95Å; D286-A289 HydrophobicContact CB-CB 4.12Å; D286-A289 WeakPolarHBondContact O-CB 3.48Å; D286-A289 PolarHBondContact O-N 2.98Å; D286-A289 PolarHBondContact OD2-N 3.32Å
287A91.3Very high91.4Very high11 Ų1144 Ų449%0.09126%0.257CS..THydrogen-bonded Turntrans-62.4-21.6178.100000113.5L281 A285 P297 L313 C316 V318L281-A287 HydrophobicContact CD2-CB 3.64Å; A285-A287 PolarHBondContact O-N 3.4Å; A287-P297 WeakPolarHBondContact O-CG 3.35Å; A287-L313 HydrophobicContact CB-CD2 4.15Å; A287-C316 HydrophobicContact CB-CB 3.99Å; A287-V318 HydrophobicContact CB-CG2 3.56Å
288D88.9Confident91.3Very high50 Ų5044 Ų4427%0.26726%0.257SS..THydrogen-bonded Turntrans-104.36.7-177.1-154.831.6000112.3D286 A290 R296D286-D288 PolarHBondContact O-N 3.13Å; D286-D288 PolarHBondContact OD1-N 2.95Å; D288-A290 PolarHBondContact O-N 3.17Å; D288-R296 PolarHBondContact O-NH1 3.32Å; D288-R296 VanDerWaalsContact OD1-CD 3.27Å; D288-R296 WeakPolarHBondContact OD1-CD 3.38Å; D288-R296 IonicContact OD1-CZ 2.74Å; D288-R296 IonicContact OD1-NE 3.79Å; D288-R296 IonicContact OD1-NH1 2.97Å; D288-R296 PolarHBondContact OD1-NH1 3.35Å; D288-R296 IonicContact OD2-CZ 3.08Å; D288-R296 IonicContact OD2-NH1 3.31Å; D288-R296 PolarHBondContact OD2-NH1 3.32Å; D288-R296 IonicContact OD2-NH2 2.65Å
289A91.1Very high91Very high3 Ų341.1 Ų41.13%0.02524%0.237CC..  trans-56.5123-177.900000112.2T250 D286 P297T250-A289 HydrophobicContact CG2-CB 3.75Å; D286-A289 HydrophobicContact CB-CB 4.12Å; D286-A289 WeakPolarHBondContact O-CB 3.48Å; D286-A289 PolarHBondContact O-N 2.98Å; D286-A289 PolarHBondContact OD2-N 3.32Å; A289-P297 WeakPolarHBondContact O-CD 3.38Å
290A90.1Very high90.7Very high21 Ų2139.9 Ų39.917%0.17423%0.23CC..  trans-101.4138.6-179.200000111.8D288 Q295 R296D288-A290 PolarHBondContact O-N 3.17Å; A290-Q295 VanDerWaalsContact CA-O 3.29Å; A290-Q295 WeakPolarHBondContact CA-O 3.19Å; A290-R296 HydrophobicContact CB-CG 3.96Å
291D89.6Confident90.4Very high11 Ų1139.9 Ų39.96%0.05923%0.23CC..  trans-75.8-173.8170.271.82.6000112.1L253 D293 K294 Q295L253-D291 HydrophobicContact CD1-CB 3.99Å; D291-D293 VanDerWaalsContact C-N 3.26Å; D291-D293 PolarHBondContact O-N 3.12Å; D291-D293 VanDerWaalsContact OD1-C 3.31Å; D291-D293 WeakPolarHBondContact OD1-CA 3.33Å; D291-D293 PolarHBondContact OD1-N 3.36Å; D291-K294 PolarHBondContact O-N 2.72Å; D291-K294 PolarHBondContact OD1-N 2.95Å; D291-Q295 PolarHBondContact N-O 2.65Å; D291-Q295 WeakPolarHBondContact OD1-CA 3.46Å; D291-Q295 WeakPolarHBondContact OD1-CB 3.38Å; D291-Q295 PolarHBondContact OD1-N 2.97Å; D291-Q295 WeakPolarHBondContact OD2-CB 3.49Å
292Q88.2Confident89.9Confident135 Ų13538.5 Ų38.563%0.63122%0.223SC*.THydrogen-bonded Turntrans-60.7-32.3177.2-76.11759.700113.8A246 E247 K294A246-Q292 PolarHBondContact O-NE2 2.92Å; E247-Q292 WeakPolarHBondContact O-CB 3.16Å; E247-Q292 WeakPolarHBondContact O-CG 3.3Å; E247-Q292 PolarHBondContact O-N 3Å; Q292-K294 PolarHBondContact O-N 2.92Å
293D85.8Confident89.4Confident92 Ų9236.2 Ų36.249%0.49220%0.199SC..THydrogen-bonded Turntrans-83.97.4176.8-73.9-29.5000112.9D291 Q295 Y325D291-D293 VanDerWaalsContact C-N 3.26Å; D291-D293 PolarHBondContact O-N 3.12Å; D291-D293 VanDerWaalsContact OD1-C 3.31Å; D291-D293 WeakPolarHBondContact OD1-CA 3.33Å; D291-D293 PolarHBondContact OD1-N 3.36Å; D293-Q295 HydrophobicContact CB-CG 3.99Å; D293-Q295 PolarHBondContact O-N 3.16Å; D293-Q295 VanDerWaalsContact O-N 3.12Å; D293-Y325 VanDerWaalsContact O-CB 3.24Å; D293-Y325 WeakPolarHBondContact O-CB 3.27Å; D293-Y325 PolarHBondContact O-N 2.9Å
294K86.6Confident88.9Confident122 Ų12236.1 Ų36.153%0.5319%0.188SC..  trans56.519-171.2-56.9-176.7176.9179.70113.5D291 Q292D291-K294 PolarHBondContact O-N 2.72Å; D291-K294 PolarHBondContact OD1-N 2.95Å; Q292-K294 PolarHBondContact O-N 2.92Å
295Q87.3Confident88.3Confident24 Ų2434 Ų3411%0.11217%0.166CC..  trans-70.3140.9167-56.9-173.112.300108.1A290 D291 D293 D324A290-Q295 VanDerWaalsContact CA-O 3.29Å; A290-Q295 WeakPolarHBondContact CA-O 3.19Å; D291-Q295 PolarHBondContact N-O 2.65Å; D291-Q295 WeakPolarHBondContact OD1-CA 3.46Å; D291-Q295 WeakPolarHBondContact OD1-CB 3.38Å; D291-Q295 PolarHBondContact OD1-N 2.97Å; D291-Q295 WeakPolarHBondContact OD2-CB 3.49Å; D293-Q295 HydrophobicContact CB-CG 3.99Å; D293-Q295 PolarHBondContact O-N 3.16Å; D293-Q295 VanDerWaalsContact O-N 3.12Å; Q295-D324 HydrophobicContact CG-CB 4.09Å
296R92.4Very high87.9Confident58 Ų5833.8 Ų33.822%0.21916%0.164CC..  trans-121.7161.9-175.4-58.9175.7-178.5-106.721.9108.1L253 D288 A290 L298 H299 L300L253-R296 VanDerWaalsContact CD2-C 3.48Å; D288-R296 PolarHBondContact O-NH1 3.32Å; D288-R296 VanDerWaalsContact OD1-CD 3.27Å; D288-R296 WeakPolarHBondContact OD1-CD 3.38Å; D288-R296 IonicContact OD1-CZ 2.74Å; D288-R296 IonicContact OD1-NE 3.79Å; D288-R296 IonicContact OD1-NH1 2.97Å; D288-R296 PolarHBondContact OD1-NH1 3.35Å; D288-R296 IonicContact OD2-CZ 3.08Å; D288-R296 IonicContact OD2-NH1 3.31Å; D288-R296 PolarHBondContact OD2-NH1 3.32Å; D288-R296 IonicContact OD2-NH2 2.65Å; A290-R296 HydrophobicContact CB-CG 3.96Å; R296-L298 PolarHBondContact O-N 3.25Å; R296-H299 WeakPolarHBondContact CB-ND1 3.48Å; R296-H299 PolarHBondContact N-ND1 2.85Å; R296-H299 VanDerWaalsContact N-ND1 3.13Å; R296-H299 WeakPolarHBondContact O-CB 3.43Å; R296-H299 PolarHBondContact O-N 3Å; R296-L300 PolarHBondContact O-N 3.46Å
297P91.9Very high87.4Confident0 Ų031.3 Ų31.30%015%0.154CC..Hα-helixtrans-49.4-39.8178.8-31.436.2000112.7L252 L253 A287 A289 H299 L300 A301 L313L252-P297 HydrophobicContact CD2-CB 4.17Å; L252-P297 HydrophobicContact CD2-CG 3.74Å; L252-P297 HydrophobicContact CG-CB 4.2Å; L252-P297 HydrophobicContact CG-CG 3.97Å; L253-P297 HydrophobicContact CD2-CG 4.02Å; L253-P297 HydrophobicContact CG-CG 4.19Å; A287-P297 WeakPolarHBondContact O-CG 3.35Å; A289-P297 WeakPolarHBondContact O-CD 3.38Å; P297-H299 PolarHBondContact O-N 3.46Å; P297-L300 PolarHBondContact O-N 3Å; P297-A301 WeakPolarHBondContact O-CB 3.24Å; P297-A301 PolarHBondContact O-N 3.21Å; P297-L313 HydrophobicContact CB-CD1 3.78Å; P297-L313 HydrophobicContact CB-CD2 4.02Å
298L90.9Very high87.2Confident0 Ų033.3 Ų33.30%017%0.17CC..Hα-helixtrans-61.8-39178.5-171.562.9000112.9R296 C302 V310 L313 L314 V318 P330 L353R296-L298 PolarHBondContact O-N 3.25Å; L298-C302 VanDerWaalsContact O-CB 3.29Å; L298-C302 WeakPolarHBondContact O-CB 3.44Å; L298-C302 PolarHBondContact O-N 3.18Å; L298-C302 PolarHBondContact O-SG 2.89Å; L298-V310 HydrophobicContact CD1-CB 4.44Å; L298-V310 HydrophobicContact CD1-CG1 3.93Å; L298-V310 HydrophobicContact CD1-CG2 4.42Å; L298-L313 HydrophobicContact CB-CD1 4.4Å; L298-L313 HydrophobicContact CD1-CB 4.29Å; L298-L313 HydrophobicContact CD1-CD1 4.47Å; L298-L314 HydrophobicContact CD1-CD2 4.3Å; L298-L314 HydrophobicContact CD1-CG 4.22Å; L298-L314 HydrophobicContact CD2-CD2 3.98Å; L298-V318 HydrophobicContact CB-CG1 4.23Å; L298-V318 HydrophobicContact CD2-CG1 3.99Å; L298-P330 HydrophobicContact CB-CG 4.48Å; L298-P330 HydrophobicContact CD2-CB 4.12Å; L298-P330 HydrophobicContact CD2-CG 3.71Å; L298-P330 HydrophobicContact CG-CB 3.92Å; L298-P330 HydrophobicContact CG-CG 3.88Å; L298-L353 HydrophobicContact CD1-CD2 4.39Å; L298-L353 HydrophobicContact CD2-CD2 4.36Å
299H88.8Confident87.2Confident0 Ų031 Ų310%016%0.158CC..Hα-helixtrans-64.1-45.7177.1-63.2101.8000111.4R296 P297 C302 R303 T322 H328 P330 C333R296-H299 WeakPolarHBondContact CB-ND1 3.48Å; R296-H299 PolarHBondContact N-ND1 2.85Å; R296-H299 VanDerWaalsContact N-ND1 3.13Å; R296-H299 WeakPolarHBondContact O-CB 3.43Å; R296-H299 PolarHBondContact O-N 3Å; P297-H299 PolarHBondContact O-N 3.46Å; H299-C302 PolarHBondContact O-N 2.84Å; H299-R303 WeakPolarHBondContact O-CB 3.5Å; H299-R303 PolarHBondContact O-N 3.48Å; H299-T322 PolarHBondContact CE1-OG1 3.34Å; H299-T322 VanDerWaalsContact CE1-OG1 3.27Å; H299-T322 PolarHBondContact NE2-O 3.4Å; H299-T322 VanDerWaalsContact NE2-O 3.13Å; H299-H328 PolarHBondContact NE2-O 3.46Å; H299-P330 WeakPolarHBondContact NE2-CD 3.44Å; H299-C333 WeakPolarHBondContact O-CB 3.48Å
300L88.4Confident87.1Confident0 Ų030.8 Ų30.80%016%0.157CC..Hα-helixtrans-68.1-46.8179.8-63.6-180000111.5W249 L253 C256 D257 R296 P297 C302 R303 R304W249-L300 HydrophobicContact CH2-CD1 4.39Å; W249-L300 HydrophobicContact CZ3-CD1 4.33Å; L253-L300 HydrophobicContact CB-CD1 4.15Å; L253-L300 HydrophobicContact CD2-CD1 3.53Å; L253-L300 HydrophobicContact CD2-CG 4.34Å; L253-L300 HydrophobicContact CG-CD1 4.48Å; C256-L300 HydrophobicContact CB-CB 3.94Å; D257-L300 HydrophobicContact CB-CD1 4.29Å; R296-L300 PolarHBondContact O-N 3.46Å; P297-L300 PolarHBondContact O-N 3Å; L300-C302 VanDerWaalsContact C-N 3.26Å; L300-C302 PolarHBondContact O-N 3.06Å; L300-R303 WeakPolarHBondContact O-CB 3.47Å; L300-R303 PolarHBondContact O-N 2.91Å; L300-R303 VanDerWaalsContact O-N 3.08Å; L300-R304 WeakPolarHBondContact O-CG 3.27Å; L300-R304 PolarHBondContact O-N 2.73Å
301A88.4Confident86.9Confident0 Ų033.5 Ų33.50%017%0.166CC..Hα-helixtrans-58.1-39.5176.400000111.8P297 G305 H306 V309 V310 L313P297-A301 WeakPolarHBondContact O-CB 3.24Å; P297-A301 PolarHBondContact O-N 3.21Å; A301-G305 PolarHBondContact O-N 3.33Å; A301-H306 PolarHBondContact O-N 3.29Å; A301-V309 HydrophobicContact CB-CB 4.33Å; A301-V309 HydrophobicContact CB-CG1 3.92Å; A301-V310 HydrophobicContact CB-CG2 3.83Å; A301-L313 HydrophobicContact CB-CD1 4.14Å
302C84.9Confident86.9Confident0 Ų034.6 Ų34.60%017%0.171CC..Hα-helixtrans-65.4-47.8173.1-70.90000111.8L298 H299 L300 R304 G305 P330 C333 A334 V349L298-C302 VanDerWaalsContact O-CB 3.29Å; L298-C302 WeakPolarHBondContact O-CB 3.44Å; L298-C302 PolarHBondContact O-N 3.18Å; L298-C302 PolarHBondContact O-SG 2.89Å; H299-C302 PolarHBondContact O-N 2.84Å; L300-C302 VanDerWaalsContact C-N 3.26Å; L300-C302 PolarHBondContact O-N 3.06Å; C302-R304 PolarHBondContact O-N 3.3Å; C302-G305 PolarHBondContact O-N 3.32Å; C302-G305 VanDerWaalsContact O-N 3.08Å; C302-P330 HydrophobicContact CB-CB 4.44Å; C302-P330 VanDerWaalsContact CB-O 3.28Å; C302-P330 WeakPolarHBondContact CB-O 3.14Å; C302-C333 HydrophobicContact CB-CB 4.32Å; C302-A334 HydrophobicContact CB-CB 4.04Å; C302-A334 WeakPolarHBondContact O-CA 3.28Å; C302-V349 HydrophobicContact CB-CG1 4.22Å
303R83.4Confident87Confident52 Ų5228.1 Ų28.120%0.19614%0.141CC..Hα-helixtrans-57.9-35.3178.5-171.2-175.3-72.7156.5-0.5112.7H299 L300 C333 G337H299-R303 WeakPolarHBondContact O-CB 3.5Å; H299-R303 PolarHBondContact O-N 3.48Å; L300-R303 WeakPolarHBondContact O-CB 3.47Å; L300-R303 PolarHBondContact O-N 2.91Å; L300-R303 VanDerWaalsContact O-N 3.08Å; R303-C333 WeakPolarHBondContact CA-O 3.44Å; R303-C333 HydrophobicContact CB-CB 4.22Å; R303-G337 WeakPolarHBondContact O-CA 3.1Å
304R81.8Confident87Confident45 Ų4524.1 Ų24.117%0.1712%0.119CC..Hα-helixtrans-86.2-16.4178.3-59.3-56.4178.5-164.92.4113.7C256 D257 L300 C302C256-R304 WeakPolarHBondContact O-CG 3.47Å; D257-R304 VanDerWaalsContact CG-NH2 3.28Å; D257-R304 PolarHBondContact O-NE 2.72Å; D257-R304 VanDerWaalsContact O-NE 3.1Å; D257-R304 IonicContact OD1-CZ 3.19Å; D257-R304 IonicContact OD1-NE 2.99Å; D257-R304 PolarHBondContact OD1-NE 3.49Å; D257-R304 IonicContact OD1-NH2 2.67Å; D257-R304 PolarHBondContact OD1-NH2 3.26Å; D257-R304 IonicContact OD2-NH2 2.94Å; D257-R304 PolarHBondContact OD2-NH2 3.38Å; L300-R304 WeakPolarHBondContact O-CG 3.27Å; L300-R304 PolarHBondContact O-N 2.73Å; C302-R304 PolarHBondContact O-N 3.3Å
305G78.9Confident87.1Confident5 Ų522.6 Ų22.65%0.05212%0.124CC..THydrogen-bonded Turntrans80.824.2179.500000113.9A301 C302 A307 S345A301-G305 PolarHBondContact O-N 3.33Å; C302-G305 PolarHBondContact O-N 3.32Å; C302-G305 VanDerWaalsContact O-N 3.08Å; G305-A307 VanDerWaalsContact C-N 3.34Å; G305-A307 PolarHBondContact O-N 3.21Å; G305-S345 WeakPolarHBondContact O-CB 3.39Å; G305-S345 PolarHBondContact O-OG 2.95Å
306H83.9Confident87Confident6 Ų624.5 Ų24.53%0.02814%0.14CC..  trans-81.774.8-177.7-65.2-36.6000111V258 T270 A301 A308 V309 V310V258-H306 PolarHBondContact O-NE2 3Å; T270-H306 WeakPolarHBondContact CG2-ND1 3.39Å; A301-H306 PolarHBondContact O-N 3.29Å; H306-A308 VanDerWaalsContact C-N 3.31Å; H306-A308 PolarHBondContact O-N 3.09Å; H306-V309 HydrophobicContact CB-CB 3.95Å; H306-V309 HydrophobicContact CB-CG2 3.94Å; H306-V309 WeakPolarHBondContact O-CB 3.44Å; H306-V309 PolarHBondContact O-N 3.06Å; H306-V310 PolarHBondContact O-N 3.46Å
307A82.9Confident86.5Confident23 Ų2324.9 Ų24.919%0.1916%0.161CC..Hα-helixtrans-53.4-42-172.400000114.2G305 V309 V310 E311 H348 V349G305-A307 VanDerWaalsContact C-N 3.34Å; G305-A307 PolarHBondContact O-N 3.21Å; A307-V309 VanDerWaalsContact C-N 3.34Å; A307-V309 PolarHBondContact O-N 3.01Å; A307-V310 WeakPolarHBondContact O-CB 3.25Å; A307-V310 PolarHBondContact O-N 3.32Å; A307-E311 PolarHBondContact O-N 2.98Å; A307-H348 HydrophobicContact CB-CB 3.71Å; A307-V349 HydrophobicContact CB-CG2 3.87Å
308A86.4Confident86.2Confident52 Ų5225.5 Ų25.543%0.4317%0.165SC..Hα-helixtrans-65.4-36.6178.400000112.7L274 H306 L312L274-A308 HydrophobicContact CD1-CB 3.86Å; L274-A308 HydrophobicContact CD2-CB 3.84Å; L274-A308 HydrophobicContact CG-CB 4.35Å; H306-A308 VanDerWaalsContact C-N 3.31Å; H306-A308 PolarHBondContact O-N 3.09Å; A308-L312 WeakPolarHBondContact O-CB 3.39Å; A308-L312 PolarHBondContact O-N 2.88Å
309V89Confident85.8Confident1 Ų128.3 Ų28.31%0.00619%0.185CC..Hα-helixtrans-69.3-38.2175.4179.20000110.3C273 L274 C277 A301 H306 A307 L312 L313C273-V309 HydrophobicContact CB-CG2 4.44Å; L274-V309 HydrophobicContact CB-CG2 4.31Å; L274-V309 HydrophobicContact CD1-CG2 4.28Å; C277-V309 HydrophobicContact CB-CG1 4.31Å; A301-V309 HydrophobicContact CB-CB 4.33Å; A301-V309 HydrophobicContact CB-CG1 3.92Å; H306-V309 HydrophobicContact CB-CB 3.95Å; H306-V309 HydrophobicContact CB-CG2 3.94Å; H306-V309 WeakPolarHBondContact O-CB 3.44Å; H306-V309 PolarHBondContact O-N 3.06Å; A307-V309 VanDerWaalsContact C-N 3.34Å; A307-V309 PolarHBondContact O-N 3.01Å; V309-L312 PolarHBondContact O-N 2.94Å; V309-L313 HydrophobicContact CG1-CD1 3.97Å; V309-L313 HydrophobicContact CG1-CG 4.28Å; V309-L313 VanDerWaalsContact O-CG 3.3Å; V309-L313 WeakPolarHBondContact O-CG 3.49Å; V309-L313 PolarHBondContact O-N 2.92Å
310V88.6Confident85.3Confident0 Ų028.5 Ų28.50%019%0.187CC..Hα-helixtrans-60.6-49.1175.3170.90000111.1L298 A301 H306 A307 L312 L313 L314 V349 A352 L353L298-V310 HydrophobicContact CD1-CB 4.44Å; L298-V310 HydrophobicContact CD1-CG1 3.93Å; L298-V310 HydrophobicContact CD1-CG2 4.42Å; A301-V310 HydrophobicContact CB-CG2 3.83Å; H306-V310 PolarHBondContact O-N 3.46Å; A307-V310 WeakPolarHBondContact O-CB 3.25Å; A307-V310 PolarHBondContact O-N 3.32Å; V310-L312 VanDerWaalsContact C-N 3.31Å; V310-L312 PolarHBondContact O-N 3.1Å; V310-L313 PolarHBondContact O-N 3.08Å; V310-L314 HydrophobicContact CG1-CD1 3.78Å; V310-L314 HydrophobicContact CG1-CG 4.4Å; V310-L314 WeakPolarHBondContact O-CB 3.22Å; V310-L314 VanDerWaalsContact O-CG 3.25Å; V310-L314 WeakPolarHBondContact O-CG 3.44Å; V310-L314 PolarHBondContact O-N 3.15Å; V310-V349 HydrophobicContact CG1-CG1 4.47Å; V310-V349 HydrophobicContact CG2-CG1 4.2Å; V310-V349 HydrophobicContact CG2-CG2 4.3Å; V310-A352 HydrophobicContact CG1-CB 4.04Å; V310-L353 HydrophobicContact CG1-CD2 4.38Å; V310-L353 HydrophobicContact CG1-CG 4.42Å
311E86.4Confident84.8Confident78 Ų7831.1 Ų31.136%0.36420%0.201SC..Hα-helixtrans-59.3-42.3175.8-71.8-74.1-176.200111.6A307 L314 S315 A352 H356A307-E311 PolarHBondContact O-N 2.98Å; E311-L314 PolarHBondContact O-N 3.29Å; E311-S315 WeakPolarHBondContact O-CB 3.41Å; E311-S315 PolarHBondContact O-N 3Å; E311-A352 VanDerWaalsContact CD-CB 3.45Å; E311-A352 HydrophobicContact CG-CB 3.96Å; E311-A352 WeakPolarHBondContact OE1-CA 3.45Å; E311-A352 WeakPolarHBondContact OE1-CB 3.29Å; E311-H356 IonicContact OE2-NE2 2.8Å
312L89.8Confident84.6Confident33 Ų3332 Ų3217%0.17321%0.206CC..Hα-helixtrans-60.3-52.2176.6-163.7171.8000110.8L274 L281 A308 V309 V310 L314 S315 C316L274-L312 HydrophobicContact CD1-CB 4.34Å; L274-L312 HydrophobicContact CD1-CD1 3.71Å; L281-L312 HydrophobicContact CD1-CD2 3.12Å; L281-L312 HydrophobicContact CD1-CG 4.49Å; A308-L312 WeakPolarHBondContact O-CB 3.39Å; A308-L312 PolarHBondContact O-N 2.88Å; V309-L312 PolarHBondContact O-N 2.94Å; V310-L312 VanDerWaalsContact C-N 3.31Å; V310-L312 PolarHBondContact O-N 3.1Å; L312-L314 VanDerWaalsContact C-N 3.33Å; L312-L314 PolarHBondContact O-N 3.41Å; L312-S315 WeakPolarHBondContact O-CB 3.42Å; L312-S315 PolarHBondContact O-N 3.27Å; L312-S315 VanDerWaalsContact O-N 3.1Å; L312-S315 PolarHBondContact O-OG 3.49Å; L312-C316 PolarHBondContact O-N 2.67Å; L312-C316 PolarHBondContact O-SG 3.05Å; L312-C316 VanDerWaalsContact O-SG 3.4Å
313L90.3Very high84.3Confident0 Ų037.6 Ų37.60%023%0.233CC..Hα-helixtrans-61.4-39.2179.5-69.2170.8000112.5L252 L281 A287 P297 L298 A301 V309 V310 S315 C316 V318L252-L313 HydrophobicContact CD2-CD2 4.39Å; L281-L313 HydrophobicContact CD1-CD2 4.11Å; A287-L313 HydrophobicContact CB-CD2 4.15Å; P297-L313 HydrophobicContact CB-CD1 3.78Å; P297-L313 HydrophobicContact CB-CD2 4.02Å; L298-L313 HydrophobicContact CB-CD1 4.4Å; L298-L313 HydrophobicContact CD1-CB 4.29Å; L298-L313 HydrophobicContact CD1-CD1 4.47Å; A301-L313 HydrophobicContact CB-CD1 4.14Å; V309-L313 HydrophobicContact CG1-CD1 3.97Å; V309-L313 HydrophobicContact CG1-CG 4.28Å; V309-L313 VanDerWaalsContact O-CG 3.3Å; V309-L313 WeakPolarHBondContact O-CG 3.49Å; V309-L313 PolarHBondContact O-N 2.92Å; V310-L313 PolarHBondContact O-N 3.08Å; L313-S315 VanDerWaalsContact C-N 3.33Å; L313-C316 WeakPolarHBondContact O-CB 3.37Å; L313-C316 PolarHBondContact O-N 3Å; L313-V318 WeakPolarHBondContact O-CB 3.46Å; L313-V318 VanDerWaalsContact O-CG2 3.28Å; L313-V318 WeakPolarHBondContact O-CG2 3.47Å
314L86.8Confident84.3Confident7 Ų735.8 Ų35.84%0.03723%0.227CC..Hα-helixtrans-67-34.8175.8-69.9170.6000112L298 V310 E311 L312 C316 G317 A320 A352 L353 H356L298-L314 HydrophobicContact CD1-CD2 4.3Å; L298-L314 HydrophobicContact CD1-CG 4.22Å; L298-L314 HydrophobicContact CD2-CD2 3.98Å; V310-L314 HydrophobicContact CG1-CD1 3.78Å; V310-L314 HydrophobicContact CG1-CG 4.4Å; V310-L314 WeakPolarHBondContact O-CB 3.22Å; V310-L314 VanDerWaalsContact O-CG 3.25Å; V310-L314 WeakPolarHBondContact O-CG 3.44Å; V310-L314 PolarHBondContact O-N 3.15Å; E311-L314 PolarHBondContact O-N 3.29Å; L312-L314 VanDerWaalsContact C-N 3.33Å; L312-L314 PolarHBondContact O-N 3.41Å; L314-C316 PolarHBondContact O-N 2.79Å; L314-G317 PolarHBondContact O-N 2.93Å; L314-A320 HydrophobicContact CD2-CB 3.97Å; L314-A352 HydrophobicContact CD1-CB 4.13Å; L314-L353 HydrophobicContact CD1-CD2 4.31Å; L314-H356 HydrophobicContact CB-CB 4.5Å; L314-H356 HydrophobicContact CD1-CB 4.05Å; L314-H356 HydrophobicContact CD2-CB 4.03Å; L314-H356 HydrophobicContact CG-CB 4.43Å
315S87.9Confident84.2Confident90 Ų9042.4 Ų42.463%0.62925%0.254SS*.Hα-helixtrans-65.4-25.9174.280.40000112.9E311 L312 L313 G317E311-S315 WeakPolarHBondContact O-CB 3.41Å; E311-S315 PolarHBondContact O-N 3Å; L312-S315 WeakPolarHBondContact O-CB 3.42Å; L312-S315 PolarHBondContact O-N 3.27Å; L312-S315 VanDerWaalsContact O-N 3.1Å; L312-S315 PolarHBondContact O-OG 3.49Å; L313-S315 VanDerWaalsContact C-N 3.33Å; S315-G317 PolarHBondContact O-N 3.13Å
316C85.8Confident84Confident65 Ų6544.7 Ų44.744%0.43928%0.278SS..THydrogen-bonded Turntrans-74.7-1.2171.4-60.70000113.5A287 L312 L313 L314A287-C316 HydrophobicContact CB-CB 3.99Å; L312-C316 PolarHBondContact O-N 2.67Å; L312-C316 PolarHBondContact O-SG 3.05Å; L312-C316 VanDerWaalsContact O-SG 3.4Å; L313-C316 WeakPolarHBondContact O-CB 3.37Å; L313-C316 PolarHBondContact O-N 3Å; L314-C316 PolarHBondContact O-N 2.79Å
317G80.3Confident83.7Confident65 Ų6546.2 Ų46.267%0.6730%0.295SS*.THydrogen-bonded Turntrans8614.6177.800000114.8L314 S315L314-G317 PolarHBondContact O-N 2.93Å; S315-G317 PolarHBondContact O-N 3.13Å
318V86.8Confident83.5Confident13 Ų1348 Ų488%0.07930%0.299CS..  trans-64.3136.8175.7-179.70000110.2A287 L298 L313 A320A287-V318 HydrophobicContact CB-CG2 3.56Å; L298-V318 HydrophobicContact CB-CG1 4.23Å; L298-V318 HydrophobicContact CD2-CG1 3.99Å; L313-V318 WeakPolarHBondContact O-CB 3.46Å; L313-V318 VanDerWaalsContact O-CG2 3.28Å; L313-V318 WeakPolarHBondContact O-CG2 3.47Å; V318-A320 PolarHBondContact O-N 3.38Å
319S81.7Confident83.3Confident59 Ų5946.5 Ų46.541%0.41328%0.284SS..  trans-72.1122.5-179.9169.40000111.5N321S319-N321 PolarHBondContact O-N 3.02Å; S319-N321 VanDerWaalsContact O-N 3.09Å; S319-N321 PolarHBondContact OG-N 3.21Å
320A79.1Confident82.9Confident5 Ų546.4 Ų46.44%0.04128%0.284CS..THydrogen-bonded Turntrans-67.8-7178.200000114.4L314 V318 P330 L353 A358L314-A320 HydrophobicContact CD2-CB 3.97Å; V318-A320 PolarHBondContact O-N 3.38Å; A320-P330 WeakPolarHBondContact O-CD 3.4Å; A320-L353 HydrophobicContact CB-CD2 4.15Å; A320-A358 HydrophobicContact CB-CB 4.11Å
321N78.2Confident82.4Confident55 Ų5546.5 Ų46.529%0.29429%0.285SS..THydrogen-bonded Turntrans-118.17.6-171.1-65.7-51.2000113.8S319 G357 A358 V359S319-N321 PolarHBondContact O-N 3.02Å; S319-N321 VanDerWaalsContact O-N 3.09Å; S319-N321 PolarHBondContact OG-N 3.21Å; N321-G357 PolarHBondContact ND2-O 3.34Å; N321-A358 VanDerWaalsContact OD1-CA 3.28Å; N321-A358 WeakPolarHBondContact OD1-CA 3.4Å; N321-V359 PolarHBondContact OD1-N 2.89Å
322T82.8Confident81.9Confident19 Ų1944.2 Ų44.212%0.11727%0.274CS..  trans-59.2145.5173.455.80000110.1H299 T329 P330H299-T322 PolarHBondContact CE1-OG1 3.34Å; H299-T322 VanDerWaalsContact CE1-OG1 3.27Å; H299-T322 PolarHBondContact NE2-O 3.4Å; H299-T322 VanDerWaalsContact NE2-O 3.13Å; T322-T329 WeakPolarHBondContact O-CA 3.28Å; T322-P330 VanDerWaalsContact O-CD 3.22Å; T322-P330 WeakPolarHBondContact O-CD 3.45Å
323M80.2Confident81.4Confident116 Ų11642.7 Ų42.757%0.57127%0.266SS*.  trans-108.1143.2174.7-66.2-179-64.500110.1H328 T329M323-H328 WeakPolarHBondContact CA-O 3.05Å; M323-T329 HydrophobicContact CG-CG2 3.87Å
324D83.3Confident80.7Confident14 Ų1442.8 Ų42.88%0.07527%0.266CS..  trans-72.8178.4164.172.35.4000111.2Q295 G326 G327 H328Q295-D324 HydrophobicContact CG-CB 4.09Å; D324-G326 PolarHBondContact O-N 3.46Å; D324-G326 VanDerWaalsContact OD1-C 3.32Å; D324-G326 VanDerWaalsContact OD1-CA 3.28Å; D324-G326 WeakPolarHBondContact OD1-CA 3.46Å; D324-G326 PolarHBondContact OD1-N 3.39Å; D324-G327 PolarHBondContact O-N 3.43Å; D324-G327 PolarHBondContact OD1-N 3.26Å; D324-H328 PolarHBondContact N-O 3.31Å; D324-H328 WeakPolarHBondContact OD1-CB 3.46Å; D324-H328 IonicContact OD1-CG 3.72Å; D324-H328 PolarHBondContact OD1-N 2.84Å; D324-H328 IonicContact OD1-ND1 3.38Å; D324-H328 PolarHBondContact OD1-ND1 3.46Å; D324-H328 IonicContact OD2-CG 3.86Å; D324-H328 IonicContact OD2-ND1 3.34Å; D324-H328 PolarHBondContact OD2-ND1 3.3Å
325Y78.9Confident80Confident185 Ų18543.4 Ų43.473%0.72527%0.27SS*.THydrogen-bonded Turntrans-59.6-27.8177.3-169.5-92.6000113D293 G327D293-Y325 VanDerWaalsContact O-CB 3.24Å; D293-Y325 WeakPolarHBondContact O-CB 3.27Å; D293-Y325 PolarHBondContact O-N 2.9Å; Y325-G327 VanDerWaalsContact C-N 3.25Å; Y325-G327 PolarHBondContact O-N 3.32Å
326G74.6Confident79.2Confident53 Ų5343.7 Ų43.755%0.54626%0.261SS..THydrogen-bonded Turntrans-79.1-0.6176.100000114.6D324 H328D324-G326 PolarHBondContact O-N 3.46Å; D324-G326 VanDerWaalsContact OD1-C 3.32Å; D324-G326 VanDerWaalsContact OD1-CA 3.28Å; D324-G326 WeakPolarHBondContact OD1-CA 3.46Å; D324-G326 PolarHBondContact OD1-N 3.39Å; G326-H328 PolarHBondContact O-N 3.48Å
327G77.1Confident78.2Confident38 Ų3840.8 Ų40.839%0.39224%0.242SC..SBendtrans75.611.9-175.300000113.5D324 Y325D324-G327 PolarHBondContact O-N 3.43Å; D324-G327 PolarHBondContact OD1-N 3.26Å; Y325-G327 VanDerWaalsContact C-N 3.25Å; Y325-G327 PolarHBondContact O-N 3.32Å
328H78.8Confident77.2Confident61 Ų6140.8 Ų40.828%0.28223%0.23SC..  trans-83.3130.1176.8-53.6110.3000110H299 M323 D324 G326 H332 Q336H299-H328 PolarHBondContact NE2-O 3.46Å; M323-H328 WeakPolarHBondContact CA-O 3.05Å; D324-H328 PolarHBondContact N-O 3.31Å; D324-H328 WeakPolarHBondContact OD1-CB 3.46Å; D324-H328 IonicContact OD1-CG 3.72Å; D324-H328 PolarHBondContact OD1-N 2.84Å; D324-H328 IonicContact OD1-ND1 3.38Å; D324-H328 PolarHBondContact OD1-ND1 3.46Å; D324-H328 IonicContact OD2-CG 3.86Å; D324-H328 IonicContact OD2-ND1 3.34Å; D324-H328 PolarHBondContact OD2-ND1 3.3Å; G326-H328 PolarHBondContact O-N 3.48Å; H328-H332 HydrophobicContact CB-CB 3.89Å; H328-Q336 PolarHBondContact NE2-NE2 3.02Å
329T82.4Confident75.6Confident19 Ų1943.6 Ų43.612%0.11726%0.255CS..  trans-82.8165.8167.469.50000110.8T322 M323 L331 H332 C333T322-T329 WeakPolarHBondContact O-CA 3.28Å; M323-T329 HydrophobicContact CG-CG2 3.87Å; T329-L331 PolarHBondContact O-N 2.92Å; T329-L331 VanDerWaalsContact O-N 3.1Å; T329-H332 PolarHBondContact N-ND1 3.47Å; T329-H332 WeakPolarHBondContact O-CA 3.44Å; T329-H332 VanDerWaalsContact O-CB 3.32Å; T329-H332 WeakPolarHBondContact O-CB 3.09Å; T329-H332 PolarHBondContact O-N 2.94Å; T329-H332 PolarHBondContact OG1-ND1 3.19Å; T329-C333 PolarHBondContact O-N 3.1Å; T329-C333 VanDerWaalsContact O-N 3.14Å
330P82.2Confident74.2Confident0 Ų044.3 Ų44.30%026%0.264CS..Hα-helixtrans-53.5-33.9174.8-27.533.7000113.2L298 H299 C302 A320 T322 H332 C333 A334 L353L298-P330 HydrophobicContact CB-CG 4.48Å; L298-P330 HydrophobicContact CD2-CB 4.12Å; L298-P330 HydrophobicContact CD2-CG 3.71Å; L298-P330 HydrophobicContact CG-CB 3.92Å; L298-P330 HydrophobicContact CG-CG 3.88Å; H299-P330 WeakPolarHBondContact NE2-CD 3.44Å; C302-P330 HydrophobicContact CB-CB 4.44Å; C302-P330 VanDerWaalsContact CB-O 3.28Å; C302-P330 WeakPolarHBondContact CB-O 3.14Å; A320-P330 WeakPolarHBondContact O-CD 3.4Å; T322-P330 VanDerWaalsContact O-CD 3.22Å; T322-P330 WeakPolarHBondContact O-CD 3.45Å; P330-H332 VanDerWaalsContact C-N 3.34Å; P330-H332 PolarHBondContact O-N 2.94Å; P330-C333 WeakPolarHBondContact O-CB 3.43Å; P330-C333 PolarHBondContact O-N 3.33Å; P330-A334 PolarHBondContact O-N 3.33Å; P330-L353 HydrophobicContact CB-CD1 4.42Å; P330-L353 HydrophobicContact CB-CD2 4.1Å
331L78.1Confident72.9Confident2 Ų245.6 Ų45.61%0.0128%0.275CS..Hα-helixtrans-62-39.1174.2-170.870.5000112.3T329 L335 V350 L353 W362T329-L331 PolarHBondContact O-N 2.92Å; T329-L331 VanDerWaalsContact O-N 3.1Å; L331-L335 WeakPolarHBondContact O-CG 3.33Å; L331-V350 HydrophobicContact CD1-CB 4.43Å; L331-V350 HydrophobicContact CD1-CG1 4Å; L331-V350 HydrophobicContact CD1-CG2 4.02Å; L331-L353 HydrophobicContact CB-CD1 4.24Å; L331-L353 HydrophobicContact CD1-CD1 3.99Å; L331-W362 HydrophobicContact CD1-CH2 4.31Å; L331-W362 HydrophobicContact CD1-CZ3 4.24Å; L331-W362 HydrophobicContact CD2-CE3 4.23Å; L331-W362 HydrophobicContact CD2-CH2 4.33Å; L331-W362 HydrophobicContact CD2-CZ3 4.13Å; L331-W362 HydrophobicContact CG-CZ3 4.35Å
332H75.1Confident71.3Confident30 Ų3043.7 Ų43.714%0.13927%0.265CS..Hα-helixtrans-65.8-41.8174.4-66.187.2000111H328 T329 P330 A334 L335 Q336H328-H332 HydrophobicContact CB-CB 3.89Å; T329-H332 PolarHBondContact N-ND1 3.47Å; T329-H332 WeakPolarHBondContact O-CA 3.44Å; T329-H332 VanDerWaalsContact O-CB 3.32Å; T329-H332 WeakPolarHBondContact O-CB 3.09Å; T329-H332 PolarHBondContact O-N 2.94Å; T329-H332 PolarHBondContact OG1-ND1 3.19Å; P330-H332 VanDerWaalsContact C-N 3.34Å; P330-H332 PolarHBondContact O-N 2.94Å; H332-A334 VanDerWaalsContact C-N 3.34Å; H332-A334 PolarHBondContact O-N 3.32Å; H332-L335 PolarHBondContact O-N 3.45Å; H332-L335 VanDerWaalsContact O-N 3.16Å; H332-Q336 PolarHBondContact O-N 3.44Å
333C78.6Confident69.3Low0 Ų046.9 Ų46.90%029%0.293CS..Hα-helixtrans-63.1-39.2178.2-60.10000112.2H299 C302 R303 T329 P330 L335 Q336 G337H299-C333 WeakPolarHBondContact O-CB 3.48Å; C302-C333 HydrophobicContact CB-CB 4.32Å; R303-C333 WeakPolarHBondContact CA-O 3.44Å; R303-C333 HydrophobicContact CB-CB 4.22Å; T329-C333 PolarHBondContact O-N 3.1Å; T329-C333 VanDerWaalsContact O-N 3.14Å; P330-C333 WeakPolarHBondContact O-CB 3.43Å; P330-C333 PolarHBondContact O-N 3.33Å; C333-L335 PolarHBondContact O-N 2.97Å; C333-L335 VanDerWaalsContact O-N 3.13Å; C333-Q336 PolarHBondContact O-N 3.33Å; C333-Q336 VanDerWaalsContact O-N 3.08Å; C333-G337 PolarHBondContact O-N 2.9Å
334A76.7Confident67.9Low2 Ų248.3 Ų48.32%0.01730%0.298CS..Hα-helixtrans-56-29.7175.400000113.2C302 P330 H332 L342 V349 V350C302-A334 HydrophobicContact CB-CB 4.04Å; C302-A334 WeakPolarHBondContact O-CA 3.28Å; P330-A334 PolarHBondContact O-N 3.33Å; H332-A334 VanDerWaalsContact C-N 3.34Å; H332-A334 PolarHBondContact O-N 3.32Å; A334-L342 WeakPolarHBondContact O-CD2 3.49Å; A334-V349 HydrophobicContact CB-CG1 3.91Å; A334-V350 HydrophobicContact CB-CG2 4.47Å
335L70.6Confident66.5Low20 Ų2048.7 Ų48.711%0.10530%0.302CS..Hα-helixtrans-89.4-18.9-178.1-60167.8000113.3L331 H332 C333 W362 P363 L366 F373L331-L335 WeakPolarHBondContact O-CG 3.33Å; H332-L335 PolarHBondContact O-N 3.45Å; H332-L335 VanDerWaalsContact O-N 3.16Å; C333-L335 PolarHBondContact O-N 2.97Å; C333-L335 VanDerWaalsContact O-N 3.13Å; L335-W362 HydrophobicContact CD1-CE3 4.46Å; L335-P363 HydrophobicContact CD1-CG 4.28Å; L335-L366 HydrophobicContact CD1-CD1 3.95Å; L335-L366 HydrophobicContact CD1-CD2 3.5Å; L335-L366 HydrophobicContact CD1-CG 3.97Å; L335-L366 HydrophobicContact CD2-CD2 3.51Å; L335-L366 HydrophobicContact CG-CD2 4.04Å; L335-F373 HydrophobicContact CD2-CE1 4.4Å; L335-F373 HydrophobicContact CD2-CZ 4.27Å
336Q71Confident65.8Low97 Ų9740.5 Ų40.545%0.45327%0.271SS..Hα-helixtrans-85.3-10178.3-70.5177.7-2.800113H328 H332 C333H328-Q336 PolarHBondContact NE2-NE2 3.02Å; H332-Q336 PolarHBondContact O-N 3.44Å; C333-Q336 PolarHBondContact O-N 3.33Å; C333-Q336 VanDerWaalsContact O-N 3.08Å
337G64.9Low65.4Low4 Ų441.3 Ų41.34%0.04126%0.261CS..SBendtrans-59.3163.9-178.300000115.2R303 C333 L342R303-G337 WeakPolarHBondContact O-CA 3.1Å; C333-G337 PolarHBondContact O-N 2.9Å; G337-L342 WeakPolarHBondContact O-CD1 3.38Å
338P60.3Low65.2Low65 Ų6544.9 Ų44.942%0.42227%0.267SS..  trans-68.6131.9177.726.3-31.4000111.5A340 A341 L342P338-A340 PolarHBondContact O-N 3.01Å; P338-A341 HydrophobicContact CG-CB 4.17Å; P338-A341 PolarHBondContact O-N 2.89Å; P338-L342 VanDerWaalsContact O-CG 3.31Å; P338-L342 WeakPolarHBondContact O-CG 3.28Å; P338-L342 PolarHBondContact O-N 3.08Å
339A52.5Low65Low72 Ų7242 Ų4260%0.59525%0.254SS*.THydrogen-bonded Turntrans-52.6-28.1-176.300000114.5L342 A343A339-L342 PolarHBondContact O-N 2.99Å; A339-A343 PolarHBondContact O-N 3.39Å
340A52.3Low64.5Low73 Ų7341.1 Ų41.160%0.60325%0.248SC*.THydrogen-bonded Turntrans-69.8-35.2177.900000113.8P338P338-A340 PolarHBondContact O-N 3.01Å
341A51.5Low63.9Low32 Ų3246.1 Ų46.126%0.26427%0.267SS..THydrogen-bonded Turntrans-79.2-27.2171.700000111.3P338 A343 S345P338-A341 HydrophobicContact CG-CB 4.17Å; P338-A341 PolarHBondContact O-N 2.89Å; A341-A343 VanDerWaalsContact C-N 3.31Å; A341-A343 PolarHBondContact O-N 2.78Å; A341-S345 PolarHBondContact O-OG 3.21Å; A341-S345 VanDerWaalsContact O-OG 3.08Å
342L45.2Very low63.6Low16 Ų1646 Ų468%0.08427%0.267CS..THydrogen-bonded Turntrans-76.4-5-176.3-65.2172.7000114.9A334 G337 P338 A339 Q344 P346A334-L342 WeakPolarHBondContact O-CD2 3.49Å; G337-L342 WeakPolarHBondContact O-CD1 3.38Å; P338-L342 VanDerWaalsContact O-CG 3.31Å; P338-L342 WeakPolarHBondContact O-CG 3.28Å; P338-L342 PolarHBondContact O-N 3.08Å; A339-L342 PolarHBondContact O-N 2.99Å; L342-Q344 VanDerWaalsContact C-N 3.34Å; L342-Q344 PolarHBondContact O-N 3.46Å; L342-P346 HydrophobicContact CB-CG 4.28Å; L342-P346 HydrophobicContact CD2-CB 3.81Å; L342-P346 HydrophobicContact CD2-CG 4.24Å; L342-P346 WeakPolarHBondContact O-CD 3.44Å; L342-P346 WeakPolarHBondContact O-CG 3.32Å
343A41.9Very low63.5Low85 Ų8544.6 Ų44.670%0.70226%0.26SS*.THydrogen-bonded Turntrans-75-23.3-178.700000113.4A339 A341A339-A343 PolarHBondContact O-N 3.39Å; A341-A343 VanDerWaalsContact C-N 3.31Å; A341-A343 PolarHBondContact O-N 2.78Å
344Q49.2Very low63.2Low147 Ų14745.9 Ų45.969%0.68727%0.267SS*.THydrogen-bonded Turntrans-122.1-21.6-173.5-65.6-177.9-2.700114.6L342 H348L342-Q344 VanDerWaalsContact C-N 3.34Å; L342-Q344 PolarHBondContact O-N 3.46Å; Q344-H348 PolarHBondContact O-ND1 2.85Å
345S55.5Low63Low22 Ų2250.9 Ų50.915%0.15429%0.293CS..SBendtrans-120-11.8-167.867.20000119.5G305 A341 E347 H348 V349G305-S345 WeakPolarHBondContact O-CB 3.39Å; G305-S345 PolarHBondContact O-OG 2.95Å; A341-S345 PolarHBondContact O-OG 3.21Å; A341-S345 VanDerWaalsContact O-OG 3.08Å; S345-E347 VanDerWaalsContact C-N 3.32Å; S345-E347 PolarHBondContact O-N 2.93Å; S345-H348 PolarHBondContact O-N 3.08Å; S345-V349 WeakPolarHBondContact O-CG2 3.34Å; S345-V349 PolarHBondContact O-N 3.1Å
346P63.9Low62.9Low13 Ų1354.3 Ų54.38%0.08431%0.309CS..Hα-helixtrans-71.9-31.7-173.730.1-34.3000111.6L342 H348 V349 V350L342-P346 HydrophobicContact CB-CG 4.28Å; L342-P346 HydrophobicContact CD2-CB 3.81Å; L342-P346 HydrophobicContact CD2-CG 4.24Å; L342-P346 WeakPolarHBondContact O-CD 3.44Å; L342-P346 WeakPolarHBondContact O-CG 3.32Å; P346-H348 VanDerWaalsContact C-N 3.29Å; P346-H348 PolarHBondContact O-N 3.26Å; P346-V349 PolarHBondContact O-N 3.14Å; P346-V350 WeakPolarHBondContact O-CB 3.19Å; P346-V350 WeakPolarHBondContact O-CG2 3.17Å; P346-V350 PolarHBondContact O-N 3.46Å
347E66.3Low62.7Low70 Ų7052 Ų5233%0.32731%0.311SS..Hα-helixtrans-63.3-40176.2-59.6-171.7174.700110.9S345 R351 F373 S376 L380S345-E347 VanDerWaalsContact C-N 3.32Å; S345-E347 PolarHBondContact O-N 2.93Å; E347-R351 WeakPolarHBondContact O-CB 2.93Å; E347-R351 PolarHBondContact O-N 3.08Å; E347-F373 HydrophobicContact CG-CD2 4.49Å; E347-S376 WeakPolarHBondContact OE1-CB 3.12Å; E347-S376 PolarHBondContact OE1-OG 3.07Å; E347-S376 VanDerWaalsContact OE1-OG 3.1Å; E347-S376 PolarHBondContact OE2-OG 3.44Å; E347-L380 HydrophobicContact CB-CD1 4.25Å
348H71.8Confident62.7Low113 Ų11352.1 Ų52.152%0.52331%0.312SS..Hα-helixtrans-68.4-47.3176.4-65.2106.1000111.8A307 Q344 S345 P346 V350 R351 A352A307-H348 HydrophobicContact CB-CB 3.71Å; Q344-H348 PolarHBondContact O-ND1 2.85Å; S345-H348 PolarHBondContact O-N 3.08Å; P346-H348 VanDerWaalsContact C-N 3.29Å; P346-H348 PolarHBondContact O-N 3.26Å; H348-V350 VanDerWaalsContact C-N 3.35Å; H348-V350 PolarHBondContact O-N 2.78Å; H348-R351 PolarHBondContact O-N 3.21Å; H348-A352 WeakPolarHBondContact O-CB 3.01Å; H348-A352 PolarHBondContact O-N 3.46Å
349V74.6Confident62.8Low0 Ų053.2 Ų53.20%032%0.317CS..Hα-helixtrans-59-46.3175.9170.50000111.2C302 A307 V310 A334 S345 P346 A352 L353C302-V349 HydrophobicContact CB-CG1 4.22Å; A307-V349 HydrophobicContact CB-CG2 3.87Å; V310-V349 HydrophobicContact CG1-CG1 4.47Å; V310-V349 HydrophobicContact CG2-CG1 4.2Å; V310-V349 HydrophobicContact CG2-CG2 4.3Å; A334-V349 HydrophobicContact CB-CG1 3.91Å; S345-V349 WeakPolarHBondContact O-CG2 3.34Å; S345-V349 PolarHBondContact O-N 3.1Å; P346-V349 PolarHBondContact O-N 3.14Å; V349-A352 WeakPolarHBondContact O-CB 3.05Å; V349-A352 PolarHBondContact O-N 3.47Å; V349-L353 HydrophobicContact CG1-CD1 4.08Å; V349-L353 WeakPolarHBondContact O-CG 3.2Å; V349-L353 PolarHBondContact O-N 3.43Å
350V72.4Confident63Low1 Ų154.1 Ų54.11%0.00631%0.305CS..Hα-helixtrans-69.5-37.9-178.4171.70000110.8L331 A334 P346 H348 L353 L354 W362 F373 L377L331-V350 HydrophobicContact CD1-CB 4.43Å; L331-V350 HydrophobicContact CD1-CG1 4Å; L331-V350 HydrophobicContact CD1-CG2 4.02Å; A334-V350 HydrophobicContact CB-CG2 4.47Å; P346-V350 WeakPolarHBondContact O-CB 3.19Å; P346-V350 WeakPolarHBondContact O-CG2 3.17Å; P346-V350 PolarHBondContact O-N 3.46Å; H348-V350 VanDerWaalsContact C-N 3.35Å; H348-V350 PolarHBondContact O-N 2.78Å; V350-L353 PolarHBondContact O-N 2.87Å; V350-L354 HydrophobicContact CG1-CD1 3.87Å; V350-L354 HydrophobicContact CG1-CG 4.25Å; V350-L354 WeakPolarHBondContact O-CB 3.07Å; V350-L354 WeakPolarHBondContact O-CG 3.31Å; V350-L354 PolarHBondContact O-N 2.88Å; V350-W362 HydrophobicContact CG1-CH2 3.83Å; V350-F373 HydrophobicContact CB-CZ 4.2Å; V350-F373 HydrophobicContact CG1-CZ 4.03Å; V350-F373 HydrophobicContact CG2-CE2 4.18Å; V350-F373 HydrophobicContact CG2-CZ 3.79Å; V350-L377 HydrophobicContact CB-CD1 4.49Å; V350-L377 HydrophobicContact CG1-CD1 3.44Å; V350-L377 VanDerWaalsContact CG1-CD1 3.44Å
351R70Confident62.9Low104 Ų10455 Ų5539%0.39230%0.302SS..Hα-helixtrans-60.3-47.3172.5-179.1-176.8177923.6111.1E347 H348 L354 N355 L380E347-R351 WeakPolarHBondContact O-CB 2.93Å; E347-R351 PolarHBondContact O-N 3.08Å; H348-R351 PolarHBondContact O-N 3.21Å; R351-L354 PolarHBondContact O-N 2.85Å; R351-N355 WeakPolarHBondContact O-CB 3.49Å; R351-N355 PolarHBondContact O-N 3.38Å; R351-N355 PolarHBondContact O-ND2 3.34Å; R351-L380 PolarHBondContact NH1-O 3.13Å
352A71.3Confident63Low0 Ų055.9 Ų55.90%030%0.299CS..Hα-helixtrans-55.6-54.1176.200000110.9V310 E311 L314 H348 V349 L354 N355 H356V310-A352 HydrophobicContact CG1-CB 4.04Å; E311-A352 VanDerWaalsContact CD-CB 3.45Å; E311-A352 HydrophobicContact CG-CB 3.96Å; E311-A352 WeakPolarHBondContact OE1-CA 3.45Å; E311-A352 WeakPolarHBondContact OE1-CB 3.29Å; L314-A352 HydrophobicContact CD1-CB 4.13Å; H348-A352 WeakPolarHBondContact O-CB 3.01Å; H348-A352 PolarHBondContact O-N 3.46Å; V349-A352 WeakPolarHBondContact O-CB 3.05Å; V349-A352 PolarHBondContact O-N 3.47Å; A352-L354 VanDerWaalsContact C-N 3.35Å; A352-L354 PolarHBondContact O-N 3.46Å; A352-N355 PolarHBondContact O-N 3.49Å; A352-H356 PolarHBondContact O-CD2 3.2Å; A352-H356 VanDerWaalsContact O-CD2 3.29Å; A352-H356 PolarHBondContact O-N 3.46Å; A352-H356 VanDerWaalsContact O-N 3.1Å
353L72.7Confident63Low0 Ų057.3 Ų57.30%031%0.309CS..Hα-helixtrans-57.7-44178.7-70.7172.8000112.7L298 V310 L314 A320 P330 L331 V349 V350 H356 G357 A358L298-L353 HydrophobicContact CD1-CD2 4.39Å; L298-L353 HydrophobicContact CD2-CD2 4.36Å; V310-L353 HydrophobicContact CG1-CD2 4.38Å; V310-L353 HydrophobicContact CG1-CG 4.42Å; L314-L353 HydrophobicContact CD1-CD2 4.31Å; A320-L353 HydrophobicContact CB-CD2 4.15Å; P330-L353 HydrophobicContact CB-CD1 4.42Å; P330-L353 HydrophobicContact CB-CD2 4.1Å; L331-L353 HydrophobicContact CB-CD1 4.24Å; L331-L353 HydrophobicContact CD1-CD1 3.99Å; V349-L353 HydrophobicContact CG1-CD1 4.08Å; V349-L353 WeakPolarHBondContact O-CG 3.2Å; V349-L353 PolarHBondContact O-N 3.43Å; V350-L353 PolarHBondContact O-N 2.87Å; L353-H356 CarbonylContact O-C 3.53Å; L353-H356 PolarHBondContact O-N 3.34Å; L353-G357 PolarHBondContact O-N 2.98Å; L353-A358 HydrophobicContact CB-CB 3.89Å; L353-A358 WeakPolarHBondContact O-CB 3.33Å; L353-A358 PolarHBondContact O-N 3.27Å
354L71.8Confident63.1Low28 Ų2855.7 Ų55.715%0.14730%0.3CS..Hα-helixtrans-67.6-36.5179.5-72.7175.3000112.7V350 R351 A352 H356 G357 R360 L377V350-L354 HydrophobicContact CG1-CD1 3.87Å; V350-L354 HydrophobicContact CG1-CG 4.25Å; V350-L354 WeakPolarHBondContact O-CB 3.07Å; V350-L354 WeakPolarHBondContact O-CG 3.31Å; V350-L354 PolarHBondContact O-N 2.88Å; R351-L354 PolarHBondContact O-N 2.85Å; A352-L354 VanDerWaalsContact C-N 3.35Å; A352-L354 PolarHBondContact O-N 3.46Å; L354-H356 VanDerWaalsContact C-N 3.27Å; L354-H356 PolarHBondContact O-N 3.24Å; L354-G357 PolarHBondContact O-N 2.98Å; L354-R360 HydrophobicContact CD2-CG 3.92Å; L354-L377 HydrophobicContact CD1-CD1 4.34Å; L354-L377 HydrophobicContact CD1-CD2 4.4Å
355N72.9Confident62.8Low106 Ų10652 Ų5257%0.56730%0.295SS*.Hα-helixtrans-65.4-34.2175.7-70.3-17.3000111.5R351 A352 G357R351-N355 WeakPolarHBondContact O-CB 3.49Å; R351-N355 PolarHBondContact O-N 3.38Å; R351-N355 PolarHBondContact O-ND2 3.34Å; A352-N355 PolarHBondContact O-N 3.49Å; N355-G357 VanDerWaalsContact C-N 3.3Å; N355-G357 PolarHBondContact O-N 3.41Å
356H69.6Low62.4Low92 Ų9251.4 Ų51.443%0.42629%0.29SS..THydrogen-bonded Turntrans-90.117.4177.7-72.7-93.9000113.9E311 L314 A352 L353 L354E311-H356 IonicContact OE2-NE2 2.8Å; L314-H356 HydrophobicContact CB-CB 4.5Å; L314-H356 HydrophobicContact CD1-CB 4.05Å; L314-H356 HydrophobicContact CD2-CB 4.03Å; L314-H356 HydrophobicContact CG-CB 4.43Å; A352-H356 PolarHBondContact O-CD2 3.2Å; A352-H356 VanDerWaalsContact O-CD2 3.29Å; A352-H356 PolarHBondContact O-N 3.46Å; A352-H356 VanDerWaalsContact O-N 3.1Å; L353-H356 CarbonylContact O-C 3.53Å; L353-H356 PolarHBondContact O-N 3.34Å; L354-H356 VanDerWaalsContact C-N 3.27Å; L354-H356 PolarHBondContact O-N 3.24Å
357G66Low61.6Low48 Ų4853.1 Ų53.150%0.49530%0.301SS..THydrogen-bonded Turntrans84.825.3169.300000115.7N321 L353 L354 N355 V359N321-G357 PolarHBondContact ND2-O 3.34Å; L353-G357 PolarHBondContact O-N 2.98Å; L354-G357 PolarHBondContact O-N 2.98Å; N355-G357 VanDerWaalsContact C-N 3.3Å; N355-G357 PolarHBondContact O-N 3.41Å; G357-V359 PolarHBondContact O-N 3.32Å
358A65.9Low60.6Low8 Ų858.8 Ų58.87%0.06633%0.325CS..  trans-60.9128.9172.100000111.9A320 N321 L353A320-A358 HydrophobicContact CB-CB 4.11Å; N321-A358 VanDerWaalsContact OD1-CA 3.28Å; N321-A358 WeakPolarHBondContact OD1-CA 3.4Å; L353-A358 HydrophobicContact CB-CB 3.89Å; L353-A358 WeakPolarHBondContact O-CB 3.33Å; L353-A358 PolarHBondContact O-N 3.27Å
359V60.4Low59.3Low87 Ų8759.7 Ų59.753%0.52733%0.327SS..  trans-70.6130.8179.2-175.90000109.3N321 G357 V361N321-V359 PolarHBondContact OD1-N 2.89Å; G357-V359 PolarHBondContact O-N 3.32Å; V359-V361 HydrophobicContact CG1-CG2 3.94Å; V359-V361 PolarHBondContact O-N 2.67Å
360R57.8Low58.1Low91 Ų9162 Ų6234%0.34334%0.338SS..  trans-77.356.7-176.1-68.6178.2169.3160-3112.8L354 W362 R385L354-R360 HydrophobicContact CD2-CG 3.92Å; R360-W362 PolarHBondContact O-N 3.16Å; R360-R385 VanDerWaalsContact CZ-CZ 3.41Å
361V51Low56.8Low91 Ų9170.1 Ų70.155%0.55238%0.376SS*.  trans-89.596.5167.8-173.30000107.4V359 P363V359-V361 HydrophobicContact CG1-CG2 3.94Å; V359-V361 PolarHBondContact O-N 2.67Å; V361-P363 WeakPolarHBondContact O-CD 3.42Å
362W52.7Low55.7Low52 Ų5275.5 Ų75.520%0.19740%0.396CS..  trans-92.6117.3-178-65.9104.9000109.5L331 L335 V350 R360 G364 L366 F373 L377L331-W362 HydrophobicContact CD1-CH2 4.31Å; L331-W362 HydrophobicContact CD1-CZ3 4.24Å; L331-W362 HydrophobicContact CD2-CE3 4.23Å; L331-W362 HydrophobicContact CD2-CH2 4.33Å; L331-W362 HydrophobicContact CD2-CZ3 4.13Å; L331-W362 HydrophobicContact CG-CZ3 4.35Å; L335-W362 HydrophobicContact CD1-CE3 4.46Å; V350-W362 HydrophobicContact CG1-CH2 3.83Å; R360-W362 PolarHBondContact O-N 3.16Å; W362-G364 PolarHBondContact O-N 3.48Å; W362-L366 HydrophobicContact CB-CD1 3.54Å; W362-L366 HydrophobicContact CD2-CD1 3.99Å; W362-L366 HydrophobicContact CE3-CD1 3.38Å; W362-L366 HydrophobicContact CE3-CD2 4.49Å; W362-L366 HydrophobicContact CG-CD1 4.11Å; W362-L366 HydrophobicContact CZ3-CD1 4.35Å; W362-F373 HydrophobicContact CH2-CE1 4.1Å; W362-F373 HydrophobicContact CH2-CZ 4.42Å; W362-F373 AromaticContact CZ3-CE1 3.87Å; W362-F373 HydrophobicContact CZ3-CE1 3.87Å; W362-F373 HydrophobicContact CZ3-CZ 4.31Å; W362-L377 HydrophobicContact CH2-CD1 3.77Å; W362-L377 HydrophobicContact CZ2-CD1 4.27Å; W362-L377 HydrophobicContact CZ2-CD2 4.31Å
363P44.8Very low54.6Low46 Ų4676 Ų7630%0.29940%0.399SS..  trans-63129.9174.621.8-32.3000110.6L335 V361 A365 L366L335-P363 HydrophobicContact CD1-CG 4.28Å; V361-P363 WeakPolarHBondContact O-CD 3.42Å; P363-A365 PolarHBondContact O-N 2.96Å; P363-L366 HydrophobicContact CG-CD1 4.03Å; P363-L366 HydrophobicContact CG-CG 4.36Å; P363-L366 WeakPolarHBondContact O-CB 3.3Å; P363-L366 VanDerWaalsContact O-CD1 3.3Å; P363-L366 WeakPolarHBondContact O-CD1 3.46Å; P363-L366 WeakPolarHBondContact O-CG 3.49Å; P363-L366 PolarHBondContact O-N 3.1Å
364G43.9Very low53.3Low50 Ų5078.3 Ų78.352%0.51541%0.407SS..THydrogen-bonded Turntrans-58.4-3.3-177.800000116.2W362 L366 P367W362-G364 PolarHBondContact O-N 3.48Å; G364-L366 VanDerWaalsContact C-N 3.33Å; G364-P367 VanDerWaalsContact O-CD 3.26Å; G364-P367 WeakPolarHBondContact O-CD 3.48Å
365A44.3Very low51.9Low70 Ų7080.8 Ų80.858%0.57943%0.427SS*.THydrogen-bonded Turntrans-77.3-14.5171.600000114P363 P367 K368P363-A365 PolarHBondContact O-N 2.96Å; A365-P367 VanDerWaalsContact C-CD 3.46Å; A365-K368 PolarHBondContact O-N 2.67Å
366L46.9Very low50.5Low10 Ų1077.2 Ų77.25%0.05241%0.411CS..Hα-helixtrans-54.6-44.8-178.8-87.4158.4000116.7L335 W362 P363 G364 K368 K369 H370 Y374L335-L366 HydrophobicContact CD1-CD1 3.95Å; L335-L366 HydrophobicContact CD1-CD2 3.5Å; L335-L366 HydrophobicContact CD1-CG 3.97Å; L335-L366 HydrophobicContact CD2-CD2 3.51Å; L335-L366 HydrophobicContact CG-CD2 4.04Å; W362-L366 HydrophobicContact CB-CD1 3.54Å; W362-L366 HydrophobicContact CD2-CD1 3.99Å; W362-L366 HydrophobicContact CE3-CD1 3.38Å; W362-L366 HydrophobicContact CE3-CD2 4.49Å; W362-L366 HydrophobicContact CG-CD1 4.11Å; W362-L366 HydrophobicContact CZ3-CD1 4.35Å; P363-L366 HydrophobicContact CG-CD1 4.03Å; P363-L366 HydrophobicContact CG-CG 4.36Å; P363-L366 WeakPolarHBondContact O-CB 3.3Å; P363-L366 VanDerWaalsContact O-CD1 3.3Å; P363-L366 WeakPolarHBondContact O-CD1 3.46Å; P363-L366 WeakPolarHBondContact O-CG 3.49Å; P363-L366 PolarHBondContact O-N 3.1Å; G364-L366 VanDerWaalsContact C-N 3.33Å; L366-K368 PolarHBondContact O-N 3.1Å; L366-K369 PolarHBondContact O-N 3.3Å; L366-H370 PolarHBondContact O-N 3.37Å; L366-Y374 HydrophobicContact CB-CE2 4.07Å
367P46.2Very low49.2Very low49 Ų4973.4 Ų73.432%0.31839%0.393SS..Hα-helixtrans-65.4-25.3-177.3-16.829.9000112.6G364 A365 Q371G364-P367 VanDerWaalsContact O-CD 3.26Å; G364-P367 WeakPolarHBondContact O-CD 3.48Å; A365-P367 VanDerWaalsContact C-CD 3.46Å; P367-Q371 WeakPolarHBondContact O-CG 3.45Å
368K46Very low48.3Very low189 Ų18973.9 Ų73.982%0.82238%0.382SS*.Hα-helixtrans-80.5-33.5-174.8-65.8-175.9178.9-179.90112.9A365 L366A365-K368 PolarHBondContact O-N 2.67Å; L366-K368 PolarHBondContact O-N 3.1Å
369K43.3Very low47.4Very low131 Ų13176.9 Ų76.957%0.5741%0.407SS*.Hα-helixtrans-90.7-38.7-173.7-149.3178.2177.2-1700112.1L366L366-K369 PolarHBondContact O-N 3.3Å
370H49.7Very low46.4Very low49 Ų4975.6 Ų75.623%0.22740%0.397CS..  trans-13775.6-173.1-60.3-23000112.5L366 R372 F373L366-H370 PolarHBondContact O-N 3.37Å; H370-R372 PolarHBondContact O-N 3Å; H370-F373 HydrophobicContact CB-CB 3.74Å; H370-F373 VanDerWaalsContact O-CB 3.31Å; H370-F373 WeakPolarHBondContact O-CB 3.5Å; H370-F373 PolarHBondContact O-N 3.27Å; H370-F373 VanDerWaalsContact O-N 3.13Å
371Q46.2Very low45.9Very low171 Ų17173.5 Ų73.580%0.79939%0.394SS*.Hα-helixtrans-57.2-31.6-179-79.7178.9-22.600114.3P367P367-Q371 WeakPolarHBondContact O-CG 3.45Å
372R47.2Very low45.4Very low218 Ų21880.6 Ų80.682%0.82341%0.411SS*.Hα-helixtrans-83.4-12.2-179.4-64.9-175.2-179.9177.80.1114.5H370 S375 S376H370-R372 PolarHBondContact O-N 3Å; R372-S375 WeakPolarHBondContact CA-OG 3.23Å; R372-S375 PolarHBondContact O-N 3.27Å; R372-S375 PolarHBondContact O-OG 3.01Å; R372-S376 PolarHBondContact O-N 3.36Å
373F46.3Very low44.9Very low11 Ų1185.4 Ų85.45%0.04844%0.435CS..Hα-helixtrans-67-40.7-174.4176.5-102.2000112.1L335 E347 V350 W362 H370 S376 L377L335-F373 HydrophobicContact CD2-CE1 4.4Å; L335-F373 HydrophobicContact CD2-CZ 4.27Å; E347-F373 HydrophobicContact CG-CD2 4.49Å; V350-F373 HydrophobicContact CB-CZ 4.2Å; V350-F373 HydrophobicContact CG1-CZ 4.03Å; V350-F373 HydrophobicContact CG2-CE2 4.18Å; V350-F373 HydrophobicContact CG2-CZ 3.79Å; W362-F373 HydrophobicContact CH2-CE1 4.1Å; W362-F373 HydrophobicContact CH2-CZ 4.42Å; W362-F373 AromaticContact CZ3-CE1 3.87Å; W362-F373 HydrophobicContact CZ3-CE1 3.87Å; W362-F373 HydrophobicContact CZ3-CZ 4.31Å; H370-F373 HydrophobicContact CB-CB 3.74Å; H370-F373 VanDerWaalsContact O-CB 3.31Å; H370-F373 WeakPolarHBondContact O-CB 3.5Å; H370-F373 PolarHBondContact O-N 3.27Å; H370-F373 VanDerWaalsContact O-N 3.13Å; F373-S376 PolarHBondContact O-N 3.43Å; F373-L377 HydrophobicContact CE1-CD1 3.71Å; F373-L377 HydrophobicContact CE2-CD1 4.37Å; F373-L377 HydrophobicContact CZ-CD1 3.62Å; F373-L377 VanDerWaalsContact O-CB 3.29Å; F373-L377 WeakPolarHBondContact O-CB 3.06Å; F373-L377 PolarHBondContact O-N 3.25Å
374Y46.2Very low44.8Very low47 Ų4786.6 Ų86.618%0.18444%0.443CS..Hα-helixtrans-67.7-39.6177.4-78.6-70.8000112.5L366 S376 L377 F378L366-Y374 HydrophobicContact CB-CE2 4.07Å; Y374-S376 VanDerWaalsContact C-N 3.28Å; Y374-S376 PolarHBondContact O-N 2.81Å; Y374-L377 PolarHBondContact O-N 3.17Å; Y374-F378 HydrophobicContact CD1-CD2 4.35Å; Y374-F378 AromaticContact CD1-CE2 3.58Å; Y374-F378 HydrophobicContact CD1-CE2 3.58Å; Y374-F378 HydrophobicContact CD1-CZ 4.32Å; Y374-F378 HydrophobicContact CE1-CE2 4.47Å; Y374-F378 HydrophobicContact CG-CE2 4.26Å; Y374-F378 WeakPolarHBondContact O-CD2 3.31Å; Y374-F378 PolarHBondContact O-N 3.02Å
375S42.6Very low45.2Very low81 Ų8189.8 Ų89.857%0.56644%0.439SS*.Hα-helixtrans-58.5-39.117739.50000112.8R372 A379R372-S375 WeakPolarHBondContact CA-OG 3.23Å; R372-S375 PolarHBondContact O-N 3.27Å; R372-S375 PolarHBondContact O-OG 3.01Å; S375-A379 PolarHBondContact O-N 3.32Å
376S43.3Very low45.7Very low31 Ų3188.9 Ų88.922%0.21743%0.429CS..Hα-helixtrans-74.2-43.8176.3-168.80000112E347 R372 F373 Y374 F378 A379 L380E347-S376 WeakPolarHBondContact OE1-CB 3.12Å; E347-S376 PolarHBondContact OE1-OG 3.07Å; E347-S376 VanDerWaalsContact OE1-OG 3.1Å; E347-S376 PolarHBondContact OE2-OG 3.44Å; R372-S376 PolarHBondContact O-N 3.36Å; F373-S376 PolarHBondContact O-N 3.43Å; Y374-S376 VanDerWaalsContact C-N 3.28Å; Y374-S376 PolarHBondContact O-N 2.81Å; S376-F378 VanDerWaalsContact C-N 3.31Å; S376-F378 PolarHBondContact O-N 3.48Å; S376-A379 WeakPolarHBondContact O-CB 3.29Å; S376-A379 PolarHBondContact O-N 3.28Å; S376-A379 VanDerWaalsContact O-N 3.1Å; S376-L380 WeakPolarHBondContact O-CB 3.3Å; S376-L380 WeakPolarHBondContact O-CD1 3.37Å; S376-L380 WeakPolarHBondContact O-CG 3.37Å; S376-L380 PolarHBondContact O-N 3.37Å; S376-L380 WeakPolarHBondContact OG-CD1 3.07Å
377L43.3Very low45.8Very low11 Ų1194.9 Ų94.96%0.05846%0.46CS..Hα-helixtrans-62.7-34.9-177.5-166136.4000113.1V350 L354 W362 F373 Y374 V381V350-L377 HydrophobicContact CB-CD1 4.49Å; V350-L377 HydrophobicContact CG1-CD1 3.44Å; V350-L377 VanDerWaalsContact CG1-CD1 3.44Å; L354-L377 HydrophobicContact CD1-CD1 4.34Å; L354-L377 HydrophobicContact CD1-CD2 4.4Å; W362-L377 HydrophobicContact CH2-CD1 3.77Å; W362-L377 HydrophobicContact CZ2-CD1 4.27Å; W362-L377 HydrophobicContact CZ2-CD2 4.31Å; F373-L377 HydrophobicContact CE1-CD1 3.71Å; F373-L377 HydrophobicContact CE2-CD1 4.37Å; F373-L377 HydrophobicContact CZ-CD1 3.62Å; F373-L377 VanDerWaalsContact O-CB 3.29Å; F373-L377 WeakPolarHBondContact O-CB 3.06Å; F373-L377 PolarHBondContact O-N 3.25Å; Y374-L377 PolarHBondContact O-N 3.17Å; L377-V381 VanDerWaalsContact O-CG2 3.23Å; L377-V381 WeakPolarHBondContact O-CG2 3.48Å; L377-V381 PolarHBondContact O-N 2.7Å
378F47Very low46.3Very low58 Ų5898.8 Ų98.825%0.25447%0.474SS..Hα-helixtrans-76.8-29.4175.3-73.9-68.9000113.3Y374 S376 F424 L428Y374-F378 HydrophobicContact CD1-CD2 4.35Å; Y374-F378 AromaticContact CD1-CE2 3.58Å; Y374-F378 HydrophobicContact CD1-CE2 3.58Å; Y374-F378 HydrophobicContact CD1-CZ 4.32Å; Y374-F378 HydrophobicContact CE1-CE2 4.47Å; Y374-F378 HydrophobicContact CG-CE2 4.26Å; Y374-F378 WeakPolarHBondContact O-CD2 3.31Å; Y374-F378 PolarHBondContact O-N 3.02Å; S376-F378 VanDerWaalsContact C-N 3.31Å; S376-F378 PolarHBondContact O-N 3.48Å; F378-F424 HydrophobicContact CD1-CE1 4.3Å; F378-F424 AromaticContact CD1-CZ 3.91Å; F378-F424 HydrophobicContact CD1-CZ 3.91Å; F378-F424 AromaticContact CD2-CE1 3.62Å; F378-F424 HydrophobicContact CD2-CE1 3.62Å; F378-F424 HydrophobicContact CD2-CZ 4.02Å; F378-F424 HydrophobicContact CE1-CE1 4.21Å; F378-F424 AromaticContact CE1-CZ 4Å; F378-F424 HydrophobicContact CE1-CZ 4Å; F378-F424 AromaticContact CE2-CE1 3.55Å; F378-F424 HydrophobicContact CE2-CE1 3.55Å; F378-F424 HydrophobicContact CE2-CZ 4.14Å; F378-F424 HydrophobicContact CG-CE1 4.04Å; F378-F424 AromaticContact CG-CZ 3.95Å; F378-F424 HydrophobicContact CG-CZ 3.95Å; F378-F424 AromaticContact CZ-CE1 3.87Å; F378-F424 HydrophobicContact CZ-CE1 3.87Å; F378-F424 HydrophobicContact CZ-CZ 4.14Å; F378-L428 HydrophobicContact CE2-CD1 4.27Å; F378-L428 HydrophobicContact CZ-CD1 4.14Å; F378-L428 HydrophobicContact CZ-CD2 3.87Å
379A46.4Very low47Very low72 Ų7291.6 Ų91.660%0.59544%0.444SS*.Hα-helixtrans-70.3-34.4171.800000112.2S375 S376S375-A379 PolarHBondContact O-N 3.32Å; S376-A379 WeakPolarHBondContact O-CB 3.29Å; S376-A379 PolarHBondContact O-N 3.28Å; S376-A379 VanDerWaalsContact O-N 3.1Å
380L40.4Very low47.6Very low60 Ų6089.6 Ų89.631%0.31444%0.439SS..Hα-helixtrans-74.2-26.3-176.4-85.8156.9000114.6E347 R351 S376E347-L380 HydrophobicContact CB-CD1 4.25Å; R351-L380 PolarHBondContact NH1-O 3.13Å; S376-L380 WeakPolarHBondContact O-CB 3.3Å; S376-L380 WeakPolarHBondContact O-CD1 3.37Å; S376-L380 WeakPolarHBondContact O-CG 3.37Å; S376-L380 PolarHBondContact O-N 3.37Å; S376-L380 WeakPolarHBondContact OG-CD1 3.07Å
381V45.3Very low48.1Very low46 Ų4689.8 Ų89.828%0.27945%0.445SS..  trans-84.2-21.5-168.3169.90000113.9L377 Q383L377-V381 VanDerWaalsContact O-CG2 3.23Å; L377-V381 WeakPolarHBondContact O-CG2 3.48Å; L377-V381 PolarHBondContact O-N 2.7Å; V381-Q383 HydrophobicContact CG1-CB 4.17Å; V381-Q383 VanDerWaalsContact O-CB 3.3Å; V381-Q383 WeakPolarHBondContact O-CB 3.26Å; V381-Q383 WeakPolarHBondContact O-CG 3.43Å; V381-Q383 PolarHBondContact O-N 3.42Å
382R40.6Very low49.3Very low240 Ų24082.1 Ų82.191%0.90641%0.409SS*.  trans34.427177-76.3-163179.1-168.71.5116.9
383Q42.7Very low50.1Low154 Ų15474.5 Ų74.572%0.7239%0.389SS*.SBendtrans-137.4111.9-175.1-77.5-103.6-11.300107.3V381V381-Q383 HydrophobicContact CG1-CB 4.17Å; V381-Q383 VanDerWaalsContact O-CB 3.3Å; V381-Q383 WeakPolarHBondContact O-CB 3.26Å; V381-Q383 WeakPolarHBondContact O-CG 3.43Å; V381-Q383 PolarHBondContact O-N 3.42Å
384P43.6Very low50.9Low71 Ų7176.3 Ų76.346%0.46141%0.406SS..  trans-73.5131.3-179.525.8-30.2000112S386 L390P384-S386 VanDerWaalsContact C-N 3.34Å; P384-S386 PolarHBondContact O-N 3.13Å; P384-L390 HydrophobicContact CB-CD1 3.58Å; P384-L390 HydrophobicContact CB-CD2 3.38Å; P384-L390 HydrophobicContact CB-CG 3.36Å; P384-L390 HydrophobicContact CG-CD1 3.44Å; P384-L390 VanDerWaalsContact CG-CD1 3.44Å; P384-L390 HydrophobicContact CG-CD2 3.79Å; P384-L390 HydrophobicContact CG-CG 3.82Å
385R51Low51.9Low116 Ų11677.7 Ų77.744%0.43842%0.416SS..SBendtrans-70.1-20.5-174.9-62.9-175.7-175.4-159.9-3.3114.7R360R360-R385 VanDerWaalsContact CZ-CZ 3.41Å
386S54.9Low53.3Low51 Ų5177.2 Ų77.236%0.35740%0.402SS..  trans-168.4156.4173.371.60000111.7P384 Q388 H389 L390P384-S386 VanDerWaalsContact C-N 3.34Å; P384-S386 PolarHBondContact O-N 3.13Å; S386-Q388 PolarHBondContact O-N 3.42Å; S386-H389 PolarHBondContact O-N 3.22Å; S386-H389 VanDerWaalsContact O-N 3.07Å; S386-H389 PolarHBondContact OG-N 3.31Å; S386-L390 PolarHBondContact O-N 3.19Å
387L49.4Very low54.5Low136 Ų13679.1 Ų79.171%0.71242%0.415SS*.Hα-helixtrans-58.7-34.3175.3-165.8147.8000111.5H389 L390 S391L387-H389 VanDerWaalsContact C-N 3.35Å; L387-H389 PolarHBondContact O-N 2.88Å; L387-L390 PolarHBondContact O-N 3.23Å; L387-S391 WeakPolarHBondContact O-CB 3.49Å; L387-S391 PolarHBondContact O-N 3.06Å; L387-S391 PolarHBondContact O-OG 3.35Å
388Q56.9Low55.9Low131 Ų13186.7 Ų86.761%0.61245%0.45SS*.Hα-helixtrans-63.6-37175.3-69.5-179.1-9.500113.1S386 R392S386-Q388 PolarHBondContact O-N 3.42Å; Q388-R392 WeakPolarHBondContact O-CB 3.43Å; Q388-R392 PolarHBondContact O-N 3.47Å
389H60.9Low56.9Low39 Ų3985.7 Ų85.718%0.18145%0.447CS..Hα-helixtrans-71.2-40.3177.2-171.974.4000111.6S386 L387 R392 C393S386-H389 PolarHBondContact O-N 3.22Å; S386-H389 VanDerWaalsContact O-N 3.07Å; S386-H389 PolarHBondContact OG-N 3.31Å; L387-H389 VanDerWaalsContact C-N 3.35Å; L387-H389 PolarHBondContact O-N 2.88Å; H389-R392 WeakPolarHBondContact O-CB 3.41Å; H389-R392 PolarHBondContact O-N 2.99Å; H389-C393 PolarHBondContact O-N 3.4Å; H389-C393 PolarHBondContact O-SG 3.14Å; H389-C393 VanDerWaalsContact O-SG 3.38Å
390L55.4Low57.6Low89 Ų8990 Ų9047%0.46646%0.455SS..Hα-helixtrans-61.7-49.2172.7-75.1172.1000112.1P384 S386 L387 R392 C393 A394P384-L390 HydrophobicContact CB-CD1 3.58Å; P384-L390 HydrophobicContact CB-CD2 3.38Å; P384-L390 HydrophobicContact CB-CG 3.36Å; P384-L390 HydrophobicContact CG-CD1 3.44Å; P384-L390 VanDerWaalsContact CG-CD1 3.44Å; P384-L390 HydrophobicContact CG-CD2 3.79Å; P384-L390 HydrophobicContact CG-CG 3.82Å; S386-L390 PolarHBondContact O-N 3.19Å; L387-L390 PolarHBondContact O-N 3.23Å; L390-R392 PolarHBondContact O-N 3.31Å; L390-C393 PolarHBondContact O-N 2.92Å; L390-C393 VanDerWaalsContact O-N 3.14Å; L390-A394 WeakPolarHBondContact O-CB 3.33Å; L390-A394 PolarHBondContact O-N 2.9Å
391S60.1Low58.9Low52 Ų5291 Ų9136%0.36448%0.48SS..Hα-helixtrans-59.5-38.3179-59.70000111.4L387 L395L387-S391 WeakPolarHBondContact O-CB 3.49Å; L387-S391 PolarHBondContact O-N 3.06Å; L387-S391 PolarHBondContact O-OG 3.35Å; S391-L395 VanDerWaalsContact O-CB 3.31Å; S391-L395 WeakPolarHBondContact O-CB 3.41Å; S391-L395 WeakPolarHBondContact O-CD1 3.19Å; S391-L395 WeakPolarHBondContact O-CG 3.48Å; S391-L395 PolarHBondContact O-N 2.88Å
392R72.8Confident60.1Low10 Ų1091.1 Ų91.14%0.03848%0.483CS..Hα-helixtrans-63.6-49.6173.3164.4-172.1173.7113.821.6112.3Q388 H389 L390 A394 L395 R396 Y419 L420 L422 V427Q388-R392 WeakPolarHBondContact O-CB 3.43Å; Q388-R392 PolarHBondContact O-N 3.47Å; H389-R392 WeakPolarHBondContact O-CB 3.41Å; H389-R392 PolarHBondContact O-N 2.99Å; L390-R392 PolarHBondContact O-N 3.31Å; R392-A394 VanDerWaalsContact C-N 3.31Å; R392-A394 PolarHBondContact O-N 3.38Å; R392-L395 PolarHBondContact O-N 3.08Å; R392-R396 WeakPolarHBondContact O-CB 3.31Å; R392-R396 WeakPolarHBondContact O-CG 3.49Å; R392-R396 PolarHBondContact O-N 3.49Å; R392-Y419 HydrophobicContact CB-CE1 4.05Å; R392-Y419 HydrophobicContact CG-CE1 4.33Å; R392-Y419 VanDerWaalsContact NH1-C 3.32Å; R392-Y419 PolarHBondContact NH1-O 3.13Å; R392-L420 HydrophobicContact CB-CD2 4.11Å; R392-L420 HydrophobicContact CG-CD2 4.02Å; R392-L422 PolarHBondContact NH2-O 3.02Å; R392-V427 VanDerWaalsContact CZ-CG2 3.46Å
393C63Low61.6Low58 Ų5881 Ų8139%0.39245%0.447SS..Hα-helixtrans-62.1-40.6-179.9-730000111.3H389 L390 S397H389-C393 PolarHBondContact O-N 3.4Å; H389-C393 PolarHBondContact O-SG 3.14Å; H389-C393 VanDerWaalsContact O-SG 3.38Å; L390-C393 PolarHBondContact O-N 2.92Å; L390-C393 VanDerWaalsContact O-N 3.14Å; C393-S397 WeakPolarHBondContact O-CB 3.44Å; C393-S397 PolarHBondContact O-N 3.28Å; C393-S397 PolarHBondContact O-OG 2.94Å
394A62.4Low62.9Low50 Ų5078.6 Ų78.641%0.41344%0.444SS..Hα-helixtrans-63.6-44.9174.100000112L390 R392 S397 H398L390-A394 WeakPolarHBondContact O-CB 3.33Å; L390-A394 PolarHBondContact O-N 2.9Å; R392-A394 VanDerWaalsContact C-N 3.31Å; R392-A394 PolarHBondContact O-N 3.38Å; A394-S397 WeakPolarHBondContact CA-OG 3.46Å; A394-S397 PolarHBondContact O-OG 2.76Å; A394-H398 WeakPolarHBondContact O-CB 3.41Å; A394-H398 PolarHBondContact O-N 3.47Å
395L67.6Low64.4Low75 Ų7582.4 Ų82.439%0.39346%0.456SS..Hα-helixtrans-67.4-39.4178.5-75.1169.2000112.6S391 R392 L399 L420S391-L395 VanDerWaalsContact O-CB 3.31Å; S391-L395 WeakPolarHBondContact O-CB 3.41Å; S391-L395 WeakPolarHBondContact O-CD1 3.19Å; S391-L395 WeakPolarHBondContact O-CG 3.48Å; S391-L395 PolarHBondContact O-N 2.88Å; R392-L395 PolarHBondContact O-N 3.08Å; L395-L399 VanDerWaalsContact O-CB 3.29Å; L395-L399 WeakPolarHBondContact O-CB 3.42Å; L395-L399 WeakPolarHBondContact O-CD1 3.45Å; L395-L399 VanDerWaalsContact O-CG 3.22Å; L395-L399 WeakPolarHBondContact O-CG 3.32Å; L395-L399 PolarHBondContact O-N 3.02Å; L395-L420 HydrophobicContact CB-CD2 4.41Å; L395-L420 HydrophobicContact CD1-CD2 4.39Å
396R72.3Confident65.4Low71 Ų7177.9 Ų77.927%0.26844%0.443SS..Hα-helixtrans-71.4-36.2178.8-75.2-171.266.8131-8.5112.9R392 L399 E400 L403 L420 L422R392-R396 WeakPolarHBondContact O-CB 3.31Å; R392-R396 WeakPolarHBondContact O-CG 3.49Å; R392-R396 PolarHBondContact O-N 3.49Å; R396-L399 CarbonylContact O-C 3.55Å; R396-L399 PolarHBondContact O-N 3.3Å; R396-E400 PolarHBondContact O-N 3Å; R396-E400 VanDerWaalsContact O-N 3.13Å; R396-L403 HydrophobicContact CG-CD1 3.95Å; R396-L420 PolarHBondContact NH1-O 2.96Å; R396-L422 PolarHBondContact NH1-O 3.32Å
397S69.4Low66.3Low71 Ų7175.9 Ų75.950%0.49743%0.428SS..Hα-helixtrans-69.1-38.7173.449.90000111.7C393 A394 L399 E400C393-S397 WeakPolarHBondContact O-CB 3.44Å; C393-S397 PolarHBondContact O-N 3.28Å; C393-S397 PolarHBondContact O-OG 2.94Å; A394-S397 WeakPolarHBondContact CA-OG 3.46Å; A394-S397 PolarHBondContact O-OG 2.76Å; S397-L399 VanDerWaalsContact C-N 3.3Å; S397-L399 PolarHBondContact O-N 2.92Å; S397-E400 WeakPolarHBondContact O-CB 3.5Å; S397-E400 PolarHBondContact O-N 3.47Å
398H71.3Confident67.5Low170 Ų17074.2 Ų74.279%0.78743%0.426SS*.Hα-helixtrans-67.5-29.1174.4-107.1-56.6000114.1A394A394-H398 WeakPolarHBondContact O-CB 3.41Å; A394-H398 PolarHBondContact O-N 3.47Å
399L69.5Low68.5Low37 Ų3778.5 Ų78.519%0.19444%0.437CS..THydrogen-bonded Turntrans-102.517-178.3-62.6171.4000112.6L395 R396 S397 G401 S402 L403 A406 L410L395-L399 VanDerWaalsContact O-CB 3.29Å; L395-L399 WeakPolarHBondContact O-CB 3.42Å; L395-L399 WeakPolarHBondContact O-CD1 3.45Å; L395-L399 VanDerWaalsContact O-CG 3.22Å; L395-L399 WeakPolarHBondContact O-CG 3.32Å; L395-L399 PolarHBondContact O-N 3.02Å; R396-L399 CarbonylContact O-C 3.55Å; R396-L399 PolarHBondContact O-N 3.3Å; S397-L399 VanDerWaalsContact C-N 3.3Å; S397-L399 PolarHBondContact O-N 2.92Å; L399-G401 PolarHBondContact O-N 3.37Å; L399-S402 PolarHBondContact O-N 2.85Å; L399-S402 PolarHBondContact O-OG 3.26Å; L399-L403 HydrophobicContact CB-CD1 3.96Å; L399-L403 HydrophobicContact CD1-CD1 4.37Å; L399-L403 PolarHBondContact O-N 2.69Å; L399-A406 HydrophobicContact CD1-CB 4.47Å; L399-A406 HydrophobicContact CD2-CB 4.07Å; L399-L410 HydrophobicContact CD1-CD1 4.22Å
400E60.8Low69.3Low162 Ų16279.1 Ų79.176%0.75744%0.441SS*.THydrogen-bonded Turntrans-58.6128.8-177.9-163.9165.4-166.500110.2R396 S397 S402R396-E400 PolarHBondContact O-N 3Å; R396-E400 VanDerWaalsContact O-N 3.13Å; S397-E400 WeakPolarHBondContact O-CB 3.5Å; S397-E400 PolarHBondContact O-N 3.47Å; E400-S402 VanDerWaalsContact C-N 3.31Å; E400-S402 PolarHBondContact O-N 2.88Å
401G67.6Low70.4Confident83 Ų8381 Ų8186%0.85646%0.459SS*.THydrogen-bonded Turntrans82.8-17.2-174.400000116.6L399L399-G401 PolarHBondContact O-N 3.37Å
402S70.9Confident71.3Confident47 Ų4781.5 Ų81.533%0.32946%0.457SS..THydrogen-bonded Turntrans-120.3-0.8-179.562.60000114.4L399 E400 Q405 A406L399-S402 PolarHBondContact O-N 2.85Å; L399-S402 PolarHBondContact O-OG 3.26Å; E400-S402 VanDerWaalsContact C-N 3.31Å; E400-S402 PolarHBondContact O-N 2.88Å; S402-Q405 PolarHBondContact O-N 2.99Å; S402-A406 WeakPolarHBondContact O-CB 3.36Å; S402-A406 PolarHBondContact O-N 3.04Å
403L71.8Confident71.7Confident29 Ų2984.5 Ų84.515%0.15248%0.478CS..Hα-helixtrans-44.4-53.2-178.6-162.684.6000114.7R396 L399 Q405 A406 L407R396-L403 HydrophobicContact CG-CD1 3.95Å; L399-L403 HydrophobicContact CB-CD1 3.96Å; L399-L403 HydrophobicContact CD1-CD1 4.37Å; L399-L403 PolarHBondContact O-N 2.69Å; L403-Q405 VanDerWaalsContact C-N 3.26Å; L403-Q405 PolarHBondContact O-N 3.27Å; L403-A406 PolarHBondContact O-N 2.55Å; L403-L407 HydrophobicContact CD2-CD1 4.31Å; L403-L407 HydrophobicContact CG-CD1 3.91Å; L403-L407 HydrophobicContact CG-CG 4.24Å; L403-L407 WeakPolarHBondContact O-CB 3.37Å; L403-L407 WeakPolarHBondContact O-CD1 3.43Å; L403-L407 WeakPolarHBondContact O-CG 3.45Å; L403-L407 PolarHBondContact O-N 3.01Å
404P69Low72.3Confident103 Ų10386.8 Ų86.867%0.66949%0.492SS*.Hα-helixtrans-66.1-25.4-17824.5-33.1000113.8
405Q74.9Confident72.7Confident151 Ų15194.9 Ų94.971%0.70651%0.512SS*.Hα-helixtrans-86.9-30.6178.1-63.9178.11.100112.4S402 L403S402-Q405 PolarHBondContact O-N 2.99Å; L403-Q405 VanDerWaalsContact C-N 3.26Å; L403-Q405 PolarHBondContact O-N 3.27Å
406A73.4Confident72.8Confident21 Ų2194.7 Ų94.717%0.17451%0.511CS..Hα-helixtrans-83.8-32.6-177.600000113.4L399 S402 L403 R409 L410L399-A406 HydrophobicContact CD1-CB 4.47Å; L399-A406 HydrophobicContact CD2-CB 4.07Å; S402-A406 WeakPolarHBondContact O-CB 3.36Å; S402-A406 PolarHBondContact O-N 3.04Å; L403-A406 PolarHBondContact O-N 2.55Å; A406-R409 PolarHBondContact O-N 2.99Å; A406-L410 PolarHBondContact O-N 3.06Å
407L73.2Confident73Confident8 Ų893 Ų934%0.04251%0.506CS..G310 helixtrans-52.1-47.1-177.8-81165000115.5L403 R409 L410 L417 L420 Q421L403-L407 HydrophobicContact CD2-CD1 4.31Å; L403-L407 HydrophobicContact CG-CD1 3.91Å; L403-L407 HydrophobicContact CG-CG 4.24Å; L403-L407 WeakPolarHBondContact O-CB 3.37Å; L403-L407 WeakPolarHBondContact O-CD1 3.43Å; L403-L407 WeakPolarHBondContact O-CG 3.45Å; L403-L407 PolarHBondContact O-N 3.01Å; L407-R409 PolarHBondContact O-N 2.58Å; L407-L410 PolarHBondContact O-N 2.86Å; L407-L417 HydrophobicContact CD2-CD2 4.19Å; L407-L417 VanDerWaalsContact O-CD2 3.3Å; L407-L417 WeakPolarHBondContact O-CD2 3.14Å; L407-L420 HydrophobicContact CD2-CB 3.85Å; L407-L420 HydrophobicContact CD2-CD1 4.22Å; L407-Q421 HydrophobicContact CD1-CG 3.43Å; L407-Q421 VanDerWaalsContact CD1-CG 3.43Å; L407-Q421 HydrophobicContact CD2-CG 4.41Å
408P73.8Confident73.2Confident102 Ų10298.3 Ų98.366%0.66252%0.516SS*.G310 helixtrans-71.6-10.8179.726.6-33.3000114
409R77.9Confident73.2Confident221 Ų22192.9 Ų92.983%0.83449%0.489SS*.G310 helixtrans-96.3-10179.4-63.7-177.2174.8174.8-0.5113.3A406 L407A406-R409 PolarHBondContact O-N 2.99Å; L407-R409 PolarHBondContact O-N 2.58Å
410L77.5Confident73.2Confident51 Ų5191.5 Ų91.527%0.26748%0.482SS..SBendtrans-79.2130.1178.6-71.4169.7000110.1L399 A406 L407 L412 L417L399-L410 HydrophobicContact CD1-CD1 4.22Å; A406-L410 PolarHBondContact O-N 3.06Å; L407-L410 PolarHBondContact O-N 2.86Å; L410-L412 HydrophobicContact CB-CD1 4.18Å; L410-L412 HydrophobicContact CB-CG 4.24Å; L410-L412 HydrophobicContact CD1-CD1 4.33Å; L410-L412 PolarHBondContact O-N 3.07Å; L410-L417 HydrophobicContact CB-CD2 4.19Å
411P79.9Confident73.8Confident130 Ų13089.1 Ų89.184%0.84447%0.47SS*.  trans-78.259.7178.534.1-36.1000110.7
412L79.1Confident73.8Confident62 Ų6288 Ų8833%0.32545%0.445SS..  trans-114.9148-178.2-67.6175.2000111.2L410 L416 L417 L420L410-L412 HydrophobicContact CB-CD1 4.18Å; L410-L412 HydrophobicContact CB-CG 4.24Å; L410-L412 HydrophobicContact CD1-CD1 4.33Å; L410-L412 PolarHBondContact O-N 3.07Å; L412-L416 HydrophobicContact CB-CB 4.47Å; L412-L417 HydrophobicContact CB-CD2 3.92Å; L412-L417 HydrophobicContact CB-CG 4.07Å; L412-L417 HydrophobicContact CD1-CD2 4.39Å; L412-L420 HydrophobicContact CD1-CD1 3.73Å
413P81.3Confident73.2Confident73 Ų7391.2 Ų91.247%0.47446%0.458SS..  trans-54145.4172.4-22.629.7000111.9R415 L416 L417P413-R415 PolarHBondContact O-N 2.96Å; P413-L416 HydrophobicContact CG-CD1 4.31Å; P413-L416 WeakPolarHBondContact O-CA 3.49Å; P413-L416 PolarHBondContact O-N 2.93Å; P413-L417 PolarHBondContact O-N 3.46Å
414P75.3Confident72.2Confident106 Ų10694.2 Ų94.269%0.68847%0.47SS*.Hα-helixtrans-59.2-28.3-17720.5-31.6000113.2R418P414-R418 WeakPolarHBondContact O-CB 3.22Å; P414-R418 PolarHBondContact O-N 3.47Å
415R70.6Confident70.9Confident219 Ų21996.5 Ų96.583%0.82647%0.472SS*.Hα-helixtrans-64.6-38.9172.8-68.8-175.3177.9177.4-0.8112.7P413 Y419P413-R415 PolarHBondContact O-N 2.96Å; R415-Y419 WeakPolarHBondContact O-CB 3.29Å; R415-Y419 PolarHBondContact O-N 3.23Å
416L69.6Low69.3Low72 Ų7290.6 Ų90.638%0.37745%0.451SS..Hα-helixtrans-78.6-31.9178.4-69.3-176.4000112.2L412 P413 Y419 L420L412-L416 HydrophobicContact CB-CB 4.47Å; P413-L416 HydrophobicContact CG-CD1 4.31Å; P413-L416 WeakPolarHBondContact O-CA 3.49Å; P413-L416 PolarHBondContact O-N 2.93Å; L416-Y419 WeakPolarHBondContact O-CB 3.3Å; L416-Y419 PolarHBondContact O-N 3.46Å; L416-L420 VanDerWaalsContact O-CG 3.32Å; L416-L420 WeakPolarHBondContact O-CG 3.36Å; L416-L420 PolarHBondContact O-N 3.04Å
417L75.6Confident68.1Low34 Ų3491.3 Ų91.318%0.17845%0.454CS..Hα-helixtrans-64.4-46.2170.9-67.1175.8000111.3L407 L410 L412 P413 Y419 L420 Q421L407-L417 HydrophobicContact CD2-CD2 4.19Å; L407-L417 VanDerWaalsContact O-CD2 3.3Å; L407-L417 WeakPolarHBondContact O-CD2 3.14Å; L410-L417 HydrophobicContact CB-CD2 4.19Å; L412-L417 HydrophobicContact CB-CD2 3.92Å; L412-L417 HydrophobicContact CB-CG 4.07Å; L412-L417 HydrophobicContact CD1-CD2 4.39Å; P413-L417 PolarHBondContact O-N 3.46Å; L417-Y419 VanDerWaalsContact C-N 3.3Å; L417-Y419 PolarHBondContact O-N 3.46Å; L417-L420 PolarHBondContact O-N 3.33Å; L417-Q421 WeakPolarHBondContact O-CG 3.44Å; L417-Q421 PolarHBondContact O-N 3.29Å
418R74.3Confident66.6Low184 Ų18494.7 Ų94.769%0.69447%0.471SS*.Hα-helixtrans-62.5-40.2174-167.4175.6-174.8179.90.9111.1P414 Q421 L422P414-R418 WeakPolarHBondContact O-CB 3.22Å; P414-R418 PolarHBondContact O-N 3.47Å; R418-Q421 PolarHBondContact O-N 2.95Å; R418-L422 WeakPolarHBondContact O-CG 3.36Å; R418-L422 PolarHBondContact O-N 3.42Å
419Y70.6Confident64.9Low55 Ų55100.1 Ų100.122%0.21648%0.48CS..Hα-helixtrans-55.6-59.5171.8-174.5-116.2000109.6R392 R415 L416 L417 Q421 L422 V427R392-Y419 HydrophobicContact CB-CE1 4.05Å; R392-Y419 HydrophobicContact CG-CE1 4.33Å; R392-Y419 VanDerWaalsContact NH1-C 3.32Å; R392-Y419 PolarHBondContact NH1-O 3.13Å; R415-Y419 WeakPolarHBondContact O-CB 3.29Å; R415-Y419 PolarHBondContact O-N 3.23Å; L416-Y419 WeakPolarHBondContact O-CB 3.3Å; L416-Y419 PolarHBondContact O-N 3.46Å; L417-Y419 VanDerWaalsContact C-N 3.3Å; L417-Y419 PolarHBondContact O-N 3.46Å; Y419-Q421 PolarHBondContact O-N 3.01Å; Y419-L422 HydrophobicContact CD2-CD1 4.17Å; Y419-L422 WeakPolarHBondContact O-CB 3.48Å; Y419-L422 PolarHBondContact O-N 2.81Å; Y419-V427 HydrophobicContact CE2-CG1 3.94Å; Y419-V427 HydrophobicContact CE2-CG2 4.43Å
420L70.8Confident64.2Low9 Ų994.1 Ų94.15%0.04746%0.463CS..Hα-helixtrans-54.7-25.1179.5-71.2170.8000114.6R392 L395 R396 L407 L412 L416 L417R392-L420 HydrophobicContact CB-CD2 4.11Å; R392-L420 HydrophobicContact CG-CD2 4.02Å; L395-L420 HydrophobicContact CB-CD2 4.41Å; L395-L420 HydrophobicContact CD1-CD2 4.39Å; R396-L420 PolarHBondContact NH1-O 2.96Å; L407-L420 HydrophobicContact CD2-CB 3.85Å; L407-L420 HydrophobicContact CD2-CD1 4.22Å; L412-L420 HydrophobicContact CD1-CD1 3.73Å; L416-L420 VanDerWaalsContact O-CG 3.32Å; L416-L420 WeakPolarHBondContact O-CG 3.36Å; L416-L420 PolarHBondContact O-N 3.04Å; L417-L420 PolarHBondContact O-N 3.33Å
421Q71.9Confident63.5Low111 Ų11196.4 Ų96.452%0.51947%0.473SS..Hα-helixtrans-80.4-28.4177.2-77.2172.7-11.700114.9L407 L417 R418 Y419 D423L407-Q421 HydrophobicContact CD1-CG 3.43Å; L407-Q421 VanDerWaalsContact CD1-CG 3.43Å; L407-Q421 HydrophobicContact CD2-CG 4.41Å; L417-Q421 WeakPolarHBondContact O-CG 3.44Å; L417-Q421 PolarHBondContact O-N 3.29Å; R418-Q421 PolarHBondContact O-N 2.95Å; Y419-Q421 PolarHBondContact O-N 3.01Å; Q421-D423 PolarHBondContact O-N 3.39Å
422L69.1Low62.6Low61 Ų6194.5 Ų94.532%0.31945%0.452SS..SBendtrans-53.3141.7-179-68.6165.1000110.2R392 R396 R418 Y419 V427R392-L422 PolarHBondContact NH2-O 3.02Å; R396-L422 PolarHBondContact NH1-O 3.32Å; R418-L422 WeakPolarHBondContact O-CG 3.36Å; R418-L422 PolarHBondContact O-N 3.42Å; Y419-L422 HydrophobicContact CD2-CD1 4.17Å; Y419-L422 WeakPolarHBondContact O-CB 3.48Å; Y419-L422 PolarHBondContact O-N 2.81Å; L422-V427 HydrophobicContact CB-CG2 3.92Å; L422-V427 HydrophobicContact CD1-CG2 4.3Å
423D58.8Low61.7Low113 Ų11396.4 Ų96.460%0.60446%0.46SS*.  trans-73164.1166-68.6-39.5000109.9Q421 E425 G426 V427Q421-D423 PolarHBondContact O-N 3.39Å; D423-E425 PolarHBondContact O-N 3.41Å; D423-E425 VanDerWaalsContact O-N 3.08Å; D423-G426 PolarHBondContact O-N 3.24Å; D423-V427 PolarHBondContact O-N 3.04Å
424F48.8Very low60.4Low93 Ų9397.9 Ų97.941%0.40846%0.459SS..G310 helixtrans-54.8-33.6-174.1-169.3-94.8000112.2F378 V427F378-F424 HydrophobicContact CD1-CE1 4.3Å; F378-F424 AromaticContact CD1-CZ 3.91Å; F378-F424 HydrophobicContact CD1-CZ 3.91Å; F378-F424 AromaticContact CD2-CE1 3.62Å; F378-F424 HydrophobicContact CD2-CE1 3.62Å; F378-F424 HydrophobicContact CD2-CZ 4.02Å; F378-F424 HydrophobicContact CE1-CE1 4.21Å; F378-F424 AromaticContact CE1-CZ 4Å; F378-F424 HydrophobicContact CE1-CZ 4Å; F378-F424 AromaticContact CE2-CE1 3.55Å; F378-F424 HydrophobicContact CE2-CE1 3.55Å; F378-F424 HydrophobicContact CE2-CZ 4.14Å; F378-F424 HydrophobicContact CG-CE1 4.04Å; F378-F424 AromaticContact CG-CZ 3.95Å; F378-F424 HydrophobicContact CG-CZ 3.95Å; F378-F424 AromaticContact CZ-CE1 3.87Å; F378-F424 HydrophobicContact CZ-CE1 3.87Å; F378-F424 HydrophobicContact CZ-CZ 4.14Å; F424-V427 PolarHBondContact O-N 3.03Å
425E42.2Very low59.5Low150 Ų15097.3 Ų97.370%0.70144%0.444SS*.G310 helixtrans-68.7-34.7174.9-61.8-175168.500113.6D423 V427 L428D423-E425 PolarHBondContact O-N 3.41Å; D423-E425 VanDerWaalsContact O-N 3.08Å; E425-V427 PolarHBondContact O-N 3.3Å; E425-L428 PolarHBondContact O-N 3.26Å
426G41.3Very low58.7Low27 Ų2788.6 Ų88.628%0.27842%0.416SS..G310 helixtrans-75.5-5.5179.500000114.4D423D423-G426 PolarHBondContact O-N 3.24Å
427V49Very low57.8Low37 Ų3789.9 Ų89.922%0.22442%0.419CS..G310 helixtrans-90.9-13.7173.8-178.10000111.5R392 Y419 L422 D423 F424 E425R392-V427 VanDerWaalsContact CZ-CG2 3.46Å; Y419-V427 HydrophobicContact CE2-CG1 3.94Å; Y419-V427 HydrophobicContact CE2-CG2 4.43Å; L422-V427 HydrophobicContact CB-CG2 3.92Å; L422-V427 HydrophobicContact CD1-CG2 4.3Å; D423-V427 PolarHBondContact O-N 3.04Å; F424-V427 PolarHBondContact O-N 3.03Å; E425-V427 PolarHBondContact O-N 3.3Å
428L41.8Very low56.3Low79 Ų7994.6 Ų94.641%0.41444%0.439SS..  trans-91.6-16.2-178-62.3172.8000113.2F378 E425F378-L428 HydrophobicContact CE2-CD1 4.27Å; F378-L428 HydrophobicContact CZ-CD1 4.14Å; F378-L428 HydrophobicContact CZ-CD2 3.87Å; E425-L428 PolarHBondContact O-N 3.26Å
429Y37.8Very low54.7Low216 Ų21686.5 Ų86.585%0.84742%0.416SS*.  trans-109.30173-68.4-84.7000109.6

Retrieved 429 of 429 residues in 102.6 ms (Link to these results)