A0A096M7K9_POEFO Loading...

Ring finger protein 34a

AlphaFold DB , UniProt , Accession A0A096M7K9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 368 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.2Very low36.4Very low242 Ų242143.5 Ų143.5100%1.19288%0.875SS**  098.40-67.9148.8168.500105.9
2K34.7Very low36.3Very low215 Ų215141.8 Ų141.894%0.93587%0.872SS**  40.213699.1-94-178.3173.71760113.1
3A39.2Very low36.4Very low103 Ų103141 Ų14185%0.85187%0.873SS**  cis179.2159.3-14.400000105.6
4G33.6Very low36.4Very low81 Ų81136.6 Ų136.684%0.83587%0.869SS**  trans167.197.5165.400000116.2
5A38.4Very low36.6Very low94 Ų94139.3 Ų139.378%0.77787%0.873SS**  trans-64.9143.1178.800000114.2
6S39.2Very low36.7Very low122 Ų122141.5 Ų141.585%0.85388%0.876SS**  70.9123.274-52.30000117.2
7S37.3Very low36.8Very low114 Ų114141.8 Ų141.880%0.79787%0.87SS**  -170.9115.8128.157.40000112.3
8V35.5Very low36.7Very low138 Ų138144.7 Ų144.784%0.83687%0.872SS**  trans-121.5128.7164.6170.50000105.6
9W34.7Very low36.7Very low262 Ų262142.8 Ų142.899%0.99286%0.861SS**  trans-98.5113.8173.4-82.9-24.3000110.3
10A35.6Very low36.7Very low89 Ų89144.9 Ų144.974%0.73686%0.863SS**  trans-119.2126.6161.100000107.8
11S36.3Very low36.6Very low118 Ų118140.9 Ų140.983%0.82585%0.853SS**  trans-99.9114.2177.4-177.20000108.8
12C34.4Very low36.6Very low123 Ų123136.9 Ų136.983%0.83184%0.842SS**  trans-118.3114.2168.3-65.90000108.3
13C38.6Very low36.4Very low132 Ų132130.4 Ų130.489%0.89284%0.836SS**  trans-111.798.6164.7-84.90000108.6
14G35.7Very low36Very low79 Ų79130.1 Ų130.181%0.81483%0.834SS**  trans-105.3114.7163.100000108.9
15L39.5Very low36.1Very low177 Ų177132.8 Ų132.893%0.92783%0.834SS**  trans-102.7112.4164.2-86162.8000107.2
16L38.4Very low35.8Very low175 Ų175140.2 Ų140.292%0.91684%0.842SS**  trans-105137.6161.2-82.4171.1000108.8
17N38.4Very low35.4Very low146 Ų146137.8 Ų137.878%0.78184%0.836SS**  trans-90.2130.5173.2-163.838.5000107.7
18E35Very low35.2Very low194 Ų194141.5 Ų141.591%0.90784%0.841SS**  trans-148154.6159.1-88.3-148.2141.200112.3
19V36Very low35.2Very low110 Ų110142.9 Ų142.967%0.66784%0.838SS**  trans-107.7159.3-155.5162.40000111.2
20M38.2Very low36Very low183 Ų183135.7 Ų135.790%0.90183%0.825SS**  trans81.2115.5156.5-95.1-178.3-75.800120.7
21G33.2Very low35.8Very low62 Ų62135.1 Ų135.164%0.63983%0.828SS**  128.1130.510900000118.8
22T35.8Very low35.8Very low157 Ų157140 Ų14096%0.96384%0.835SS**  trans86.6129.8157.176.50000119.1
23G30.6Very low35.7Very low80 Ų80137.9 Ų137.983%0.82583%0.834SS**  trans146.399.7164.700000114.2
24A31.6Very low35.7Very low97 Ų97136.9 Ų136.980%0.80284%0.835SS**  trans-69.9161.1-176.600000114.5
25V35.6Very low35.6Very low137 Ų137136.7 Ų136.783%0.8383%0.833SS**  180108.4114.7170.20000111
26R31.6Very low35.4Very low249 Ų249133.3 Ų133.394%0.9483%0.831SS**  trans21.4133.8134.8-150.2171.6-176.3149.9-0.7122.9
27G31Very low35.3Very low71 Ų71128.5 Ų128.573%0.73282%0.824SS**  trans112.4126.3150.300000112.9
28Q33.7Very low35.7Very low193 Ų193126.9 Ų126.990%0.90282%0.821SS**  cis-164141.724.7-177.783.819.400107.8
29Q34.7Very low36Very low167 Ų167127.4 Ų127.478%0.7882%0.821SS**  trans-84.5-174.6170.5-87.1-95.2-4000111.3
30P51.7Low36.2Very low110 Ų110133.9 Ų133.971%0.71483%0.833SS**  -122174.7-72.935.7-17.3000111.4
31G32.6Very low36.4Very low78 Ų78134.9 Ų134.980%0.80483%0.833SS**  trans-153.3113.4176.500000114.1
32F35.2Very low36.6Very low220 Ų220136.4 Ų136.497%0.96584%0.839SS**  trans-57.6157.7171.9-84.9-109.4000113.8
33G32.7Very low37Very low78 Ų78135 Ų13580%0.80483%0.833SS**  trans147.5108.9144.800000116.7
34A39.3Very low37.6Very low111 Ų111136.9 Ų136.992%0.91783%0.833SS**  trans-69.1153.9160.500000111.8
35G32.8Very low38.1Very low76 Ų76136.4 Ų136.478%0.78483%0.829SS**  trans15295.6160.700000117.8
36A35.6Very low38.1Very low106 Ų106133.9 Ų133.988%0.87683%0.831SS**  trans30.1114.413800000123.2
37G35.5Very low38.5Very low74 Ų74131.6 Ų131.676%0.76382%0.824SS**  trans67.4169.6133.700000120.1
38P48Very low38.9Very low111 Ų111132.2 Ų132.272%0.72182%0.817SS**  cis-143.4103.68.636.9-13.5000114.3
39F40.3Very low39.3Very low206 Ų206129 Ų12990%0.90481%0.81SS**  trans-142.5103.4151.5-79.4-73.3000109.2
40R40.3Very low39.5Very low246 Ų246127.8 Ų127.893%0.92881%0.805SS**  trans-87.7121.1170.6-70.3-171.1178.7-112.93.7108.3
41F43.5Very low39.3Very low204 Ų204127.8 Ų127.890%0.89581%0.805SS**  trans-109.3135.7145.6-81-83.9000107.8
42A37.4Very low39.6Very low93 Ų93129.4 Ų129.477%0.76980%0.801SS**  trans-70.7167.9-175.700000112.2
43P43.8Very low40Very low128 Ų128126.1 Ų126.183%0.83179%0.793SS**  trans-97.1129.7-149.436.2-31.1000113.6
44S42.8Very low40.5Very low119 Ų119127 Ų12783%0.83279%0.787SS**  trans-158.883.7162.858.30000111
45A41.1Very low40.9Very low87 Ų87127.2 Ų127.272%0.71978%0.782SS**  trans163.599.4148.900000106.1Y47A45-Y47 VanDerWaalsContact C-N 3.32Å; A45-Y47 PolarHBondContact O-N 2.8Å
46G36.1Very low41.4Very low85 Ų85126 Ų12688%0.87677%0.769SS**  trans-61.499.716600000108.1S48G46-S48 PolarHBondContact O-N 2.94Å
47Y41Very low42.2Very low201 Ų201126.5 Ų126.579%0.78876%0.757SS**  trans-71.292.5160.261.7-84000105.6A45 T49A45-Y47 VanDerWaalsContact C-N 3.32Å; A45-Y47 PolarHBondContact O-N 2.8Å; Y47-T49 HydrophobicContact CD2-CG2 4.06Å; Y47-T49 HydrophobicContact CE2-CG2 4.29Å; Y47-T49 PolarHBondContact O-N 3.05Å; Y47-T49 VanDerWaalsContact O-N 3.15Å
48S39.5Very low43.3Very low83 Ų83128.5 Ų128.558%0.5876%0.757SS**  trans-62.5112.8164.3-175.30000107G46 H50G46-S48 PolarHBondContact O-N 2.94Å; S48-H50 PolarHBondContact O-N 3.44Å; S48-H50 VanDerWaalsContact O-N 3.15Å; S48-H50 PolarHBondContact OG-N 2.74Å
49T40.7Very low43.9Very low125 Ų125124.9 Ų124.977%0.76774%0.74SS**  trans-73.917.3168.239.90000112.5Y47Y47-T49 HydrophobicContact CD2-CG2 4.06Å; Y47-T49 HydrophobicContact CE2-CG2 4.29Å; Y47-T49 PolarHBondContact O-N 3.05Å; Y47-T49 VanDerWaalsContact O-N 3.15Å
50H40.2Very low45.9Very low142 Ų142120.4 Ų120.466%0.65773%0.725SS**SBendtrans-89.4132.9167.1-65.9-75.2000109S48S48-H50 PolarHBondContact O-N 3.44Å; S48-H50 VanDerWaalsContact O-N 3.15Å; S48-H50 PolarHBondContact OG-N 2.74Å
51P46.1Very low48.4Very low110 Ų110111.5 Ų111.571%0.71470%0.698SS**PPolyproline II helixtrans-53.9138.9167.324.6-31.6000107.9N53P51-N53 PolarHBondContact O-N 2.77Å
52P40.1Very low50.8Low113 Ų113101.9 Ų101.973%0.73466%0.656SS**PPolyproline II helixtrans-58.4117.6178.223.8-30.5000106.9S54P52-S54 PolarHBondContact O-N 2.87Å
53N42.5Very low53.4Low150 Ų150103 Ų10380%0.80264%0.64SS**  trans-66.884.5167.4-162.548.7000105.4P51 S55P51-N53 PolarHBondContact O-N 2.77Å; N53-S55 PolarHBondContact O-N 2.89Å
54S43.5Very low55.7Low97 Ų9799.8 Ų99.868%0.67862%0.624SS**  trans-65.391.9170.5-70.30000106.3P52 G56P52-S54 PolarHBondContact O-N 2.87Å; S54-G56 PolarHBondContact O-N 3.48Å
55S47.4Very low58Low115 Ų11596.7 Ų96.780%0.80460%0.602SS**  trans-62.955.6146.3-49.50000108.2N53N53-S55 PolarHBondContact O-N 2.89Å
56G44.5Very low60.4Low50 Ų5094.9 Ų94.952%0.51559%0.592SS.*  trans-88.3120.3-175.400000107.8S54 P58S54-G56 PolarHBondContact O-N 3.48Å; G56-P58 WeakPolarHBondContact O-CD 3.15Å; G56-P58 VanDerWaalsContact O-N 3.15Å
57N52.9Low63.1Low117 Ų11796 Ų9663%0.62657%0.574SS**  trans-54.5118.2174-159.9-9.2000108.9G59 L60N57-G59 PolarHBondContact O-N 2.97Å; N57-L60 HydrophobicContact CB-CD1 4.22Å; N57-L60 PolarHBondContact O-N 3.4Å
58P57.1Low65.5Low117 Ų11789.2 Ų89.276%0.7656%0.56SS**THydrogen-bonded Turntrans-62.6-6.2-169.719.4-30.6000115G56G56-P58 WeakPolarHBondContact O-CD 3.15Å; G56-P58 VanDerWaalsContact O-N 3.15Å
59G60.7Low68.1Low35 Ų3587 Ų8736%0.36154%0.54SS..THydrogen-bonded Turntrans-86-0.4178.700000116.9N57 K75N57-G59 PolarHBondContact O-N 2.97Å; G59-K75 PolarHBondContact O-NZ 2.86Å
60L83.5Confident70.3Confident111 Ų11184.2 Ų84.258%0.58153%0.525SS*.SBendtrans-110.65.7-170.6-65.3172.6000115.4N57 F69N57-L60 HydrophobicContact CB-CD1 4.22Å; N57-L60 PolarHBondContact O-N 3.4Å; L60-F69 WeakPolarHBondContact O-CD2 3.12Å; L60-F69 PolarHBondContact O-N 3.32Å
61V92.6Very high72.3Confident60 Ų6083.6 Ų83.636%0.36453%0.531SS..BIsolated β-bridgetrans-122.2151.8178.4-61.60000111.6R63 Q67 A68 F69V61-R63 PolarHBondContact O-N 3.48Å; V61-Q67 WeakPolarHBondContact CA-O 3.5Å; V61-A68 HydrophobicContact CG1-CB 4.35Å; V61-F69 VanDerWaalsContact O-CE2 3.26Å; V61-F69 WeakPolarHBondContact O-CE2 3.35Å
62C93.1Very high74.2Confident1 Ų187.8 Ų87.81%0.00754%0.538CS..  trans-64.8124.5171.8177.30000110.1A64 C65 G66 Q67 F69 C86C62-A64 PolarHBondContact O-N 3.39Å; C62-C65 WeakPolarHBondContact CB-SG 3.42Å; C62-C65 PolarHBondContact SG-SG 3.29Å; C62-G66 VanDerWaalsContact O-CA 3.24Å; C62-G66 WeakPolarHBondContact O-CA 3.15Å; C62-G66 PolarHBondContact O-N 3.36Å; C62-Q67 PolarHBondContact N-O 3.24Å; C62-F69 HydrophobicContact CB-CE1 4.07Å; C62-F69 HydrophobicContact CB-CZ 4.1Å; C62-C86 HydrophobicContact CB-CB 4.36Å; C62-C86 PolarHBondContact SG-N 3.38Å; C62-C86 VanDerWaalsContact SG-N 3.36Å
63R92.5Very high76.3Confident118 Ų11886.1 Ų86.145%0.44552%0.517SS..THydrogen-bonded Turntrans-67.5-21.3-176.4-171.356.8174.5152.9-1.5114V61 K83 S84 F85 L129V61-R63 PolarHBondContact O-N 3.48Å; R63-K83 HydrophobicContact CB-CB 4.32Å; R63-K83 HydrophobicContact CG-CB 4.35Å; R63-S84 PolarHBondContact N-O 3.48Å; R63-F85 HydrophobicContact CB-CD1 4.29Å; R63-F85 HydrophobicContact CB-CE1 3.81Å; R63-F85 HydrophobicContact CB-CZ 4.05Å; R63-F85 HydrophobicContact CG-CE1 4.45Å; R63-F85 HydrophobicContact CG-CZ 4.46Å; R63-L129 HydrophobicContact CB-CD2 4.36Å; R63-L129 HydrophobicContact CG-CD2 3.37Å
64A91.5Very high78.5Confident60 Ų6083.6 Ų83.650%0.49650%0.503SS..THydrogen-bonded Turntrans-90-47.4178.200000113.6C62 F85 C89C62-A64 PolarHBondContact O-N 3.39Å; A64-F85 HydrophobicContact CB-CD1 3.86Å; A64-F85 HydrophobicContact CB-CE1 4.04Å; A64-C89 HydrophobicContact CB-CB 3.79Å
65C92.4Very high80.9Confident53 Ų5383.8 Ų83.836%0.35849%0.492SS..THydrogen-bonded Turntrans-104.7-4.7-17570.10000114.8C62 Q67C62-C65 WeakPolarHBondContact CB-SG 3.42Å; C62-C65 PolarHBondContact SG-SG 3.29Å; C65-Q67 HydrophobicContact CB-CG 4.49Å; C65-Q67 PolarHBondContact O-N 3.18Å; C65-Q67 VanDerWaalsContact O-N 3.1Å
66G91.2Very high83.1Confident50 Ų5081.2 Ų81.252%0.51547%0.465SS..  trans71.9-2.9178.300000115.4C62C62-G66 VanDerWaalsContact O-CA 3.24Å; C62-G66 WeakPolarHBondContact O-CA 3.15Å; C62-G66 PolarHBondContact O-N 3.36Å
67Q92Very high85.4Confident107 Ų10782.5 Ų82.550%0.546%0.463SS..PPolyproline II helixtrans-74.4138.2-177.7-62.6-62.2-24.400111.6V61 C62 C65V61-Q67 WeakPolarHBondContact CA-O 3.5Å; C62-Q67 PolarHBondContact N-O 3.24Å; C65-Q67 HydrophobicContact CB-CG 4.49Å; C65-Q67 PolarHBondContact O-N 3.18Å; C65-Q67 VanDerWaalsContact O-N 3.1Å
68A92.1Very high87.4Confident59 Ų5977 Ų7749%0.48843%0.433SS..BIsolated β-bridgetrans-63.5141.3175.100000111.6V61V61-A68 HydrophobicContact CG1-CB 4.35Å
69F92.7Very high89.1Confident38 Ų3872.8 Ų72.817%0.16741%0.407CS..PPolyproline II helixtrans-70.2145.4171.6-60.9-62.9000110.5L60 V61 C62 R73 K75 C86L60-F69 WeakPolarHBondContact O-CD2 3.12Å; L60-F69 PolarHBondContact O-N 3.32Å; V61-F69 VanDerWaalsContact O-CE2 3.26Å; V61-F69 WeakPolarHBondContact O-CE2 3.35Å; C62-F69 HydrophobicContact CB-CE1 4.07Å; C62-F69 HydrophobicContact CB-CZ 4.1Å; F69-R73 WeakPolarHBondContact CA-O 3.46Å; F69-R73 WeakPolarHBondContact CD1-O 3.49Å; F69-K75 HydrophobicContact CB-CB 4.47Å; F69-K75 HydrophobicContact CD1-CB 3.74Å; F69-K75 HydrophobicContact CD2-CB 4Å; F69-K75 HydrophobicContact CD2-CD 3.97Å; F69-K75 HydrophobicContact CD2-CG 4.22Å; F69-K75 HydrophobicContact CE1-CB 3.88Å; F69-K75 HydrophobicContact CE1-CG 4.31Å; F69-K75 HydrophobicContact CE2-CB 4.14Å; F69-K75 HydrophobicContact CE2-CD 3.88Å; F69-K75 HydrophobicContact CE2-CG 3.97Å; F69-K75 HydrophobicContact CG-CB 3.81Å; F69-K75 HydrophobicContact CZ-CB 4.08Å; F69-K75 HydrophobicContact CZ-CD 4.43Å; F69-K75 HydrophobicContact CZ-CG 4.02Å; F69-C86 HydrophobicContact CE1-CB 4.34Å
70S87.2Confident90.5Very high66 Ų6672.4 Ų72.446%0.46240%0.396SS..BIsolated β-bridgetrans-152.3177.6178.665.50000109.6F72 R73S70-F72 PolarHBondContact O-N 2.65Å; S70-F72 VanDerWaalsContact O-N 3.13Å; S70-F72 PolarHBondContact OG-N 2.86Å; S70-R73 PolarHBondContact N-O 3.35Å; S70-R73 VanDerWaalsContact N-O 3.12Å; S70-R73 CarbonylContact O-C 3.5Å; S70-R73 PolarHBondContact O-N 2.78Å; S70-R73 PolarHBondContact OG-N 3.42Å
71V82.8Confident90.8Very high128 Ų12867.5 Ų67.578%0.77637%0.371SS*.THydrogen-bonded Turntrans-56.8-27.3174.6-62.30000113.4
72F85Confident90.8Very high198 Ų19871.7 Ų71.787%0.86838%0.384SS*.THydrogen-bonded Turntrans-92.9-8.5175.5-56.6-71.7000113.3S70S70-F72 PolarHBondContact O-N 2.65Å; S70-F72 VanDerWaalsContact O-N 3.13Å; S70-F72 PolarHBondContact OG-N 2.86Å
73R85.9Confident90.8Very high78 Ų7875.5 Ų75.529%0.29440%0.401SS..BIsolated β-bridgetrans-132.781.7-177.9-164.6178.6-66.8-86.90.8109.2F69 S70 C86F69-R73 WeakPolarHBondContact CA-O 3.46Å; F69-R73 WeakPolarHBondContact CD1-O 3.49Å; S70-R73 PolarHBondContact N-O 3.35Å; S70-R73 VanDerWaalsContact N-O 3.12Å; S70-R73 CarbonylContact O-C 3.5Å; S70-R73 PolarHBondContact O-N 2.78Å; S70-R73 PolarHBondContact OG-N 3.42Å; R73-C86 HydrophobicContact CG-CB 3.74Å
74I88.7Confident90.9Very high97 Ų9770.8 Ų70.850%0.49739%0.386SS..  trans-62.6141.6-179.1-57.6172.8000110.2Y76I74-Y76 HydrophobicContact CB-CE2 4.03Å; I74-Y76 HydrophobicContact CG2-CE1 4.43Å; I74-Y76 HydrophobicContact CG2-CE2 3.94Å
75K92.8Very high91.1Very high102 Ų10268 Ų6844%0.44336%0.363SS..EExtended strand (participates in β ladder)trans-87.9129.2175.3168.9171.5158.3162.20110.3G59 F69 S84G59-K75 PolarHBondContact O-NZ 2.86Å; F69-K75 HydrophobicContact CB-CB 4.47Å; F69-K75 HydrophobicContact CD1-CB 3.74Å; F69-K75 HydrophobicContact CD2-CB 4Å; F69-K75 HydrophobicContact CD2-CD 3.97Å; F69-K75 HydrophobicContact CD2-CG 4.22Å; F69-K75 HydrophobicContact CE1-CB 3.88Å; F69-K75 HydrophobicContact CE1-CG 4.31Å; F69-K75 HydrophobicContact CE2-CB 4.14Å; F69-K75 HydrophobicContact CE2-CD 3.88Å; F69-K75 HydrophobicContact CE2-CG 3.97Å; F69-K75 HydrophobicContact CG-CB 3.81Å; F69-K75 HydrophobicContact CZ-CB 4.08Å; F69-K75 HydrophobicContact CZ-CD 4.43Å; F69-K75 HydrophobicContact CZ-CG 4.02Å; K75-S84 WeakPolarHBondContact CE-OG 3.36Å; K75-S84 PolarHBondContact NZ-OG 3.44Å; K75-S84 VanDerWaalsContact NZ-OG 3.11Å
76Y93.1Very high91.1Very high61 Ų6165.6 Ų65.624%0.23935%0.346CS..EExtended strand (participates in β ladder)trans-119.4144.2170.8-64-80.7000109.9I74 S84 F85 R97I74-Y76 HydrophobicContact CB-CE2 4.03Å; I74-Y76 HydrophobicContact CG2-CE1 4.43Å; I74-Y76 HydrophobicContact CG2-CE2 3.94Å; Y76-S84 CarbonylContact O-C 3.6Å; Y76-S84 WeakPolarHBondContact O-CA 3.37Å; Y76-F85 PolarHBondContact N-O 3.01Å; Y76-F85 PolarHBondContact O-N 2.74Å; Y76-R97 HydrophobicContact CD1-CG 3.86Å; Y76-R97 HydrophobicContact CG-CG 4.33Å
77T93.9Very high91.2Very high77 Ų7766 Ų6647%0.47234%0.341SS..EExtended strand (participates in β ladder)trans-99.2129.3176.3-57.60000109.2
78C94.1Very high91.2Very high0 Ų068 Ų680%036%0.355CS..  trans-71131.1174.2179.60000110.3D80 C81 K82 K83 F85 R97 C99C78-D80 VanDerWaalsContact C-N 3.29Å; C78-D80 PolarHBondContact O-N 3.28Å; C78-D80 PolarHBondContact SG-N 2.83Å; C78-C81 VanDerWaalsContact SG-SG 3.64Å; C78-K82 WeakPolarHBondContact O-CA 2.94Å; C78-K82 PolarHBondContact O-N 3.27Å; C78-K82 VanDerWaalsContact O-N 3.08Å; C78-K83 PolarHBondContact N-O 3.48Å; C78-F85 HydrophobicContact CB-CD2 3.86Å; C78-F85 HydrophobicContact CB-CE2 3.59Å; C78-R97 CarbonylContact C-O 3.57Å; C78-R97 VanDerWaalsContact CA-O 3.32Å; C78-R97 WeakPolarHBondContact CA-O 3.23Å; C78-C99 HydrophobicContact CB-CB 4.15Å; C78-C99 PolarHBondContact SG-N 3.37Å
79C92.9Very high91.3Very high30 Ų3066.2 Ų66.220%0.20334%0.338CS..THydrogen-bonded Turntrans-61.2-35.3176.254.10000112.8K82 L96 R97C79-K82 WeakPolarHBondContact O-CD 3.29Å; C79-K82 WeakPolarHBondContact O-CE 3.41Å; C79-K82 PolarHBondContact O-NZ 3.28Å; C79-L96 HydrophobicContact CB-CB 4.27Å; C79-L96 HydrophobicContact CB-CD1 4.34Å; C79-R97 PolarHBondContact N-O 3.08Å; C79-R97 PolarHBondContact SG-O 3.41Å
80D89.9Confident91.4Very high26 Ų2664.9 Ų64.914%0.13933%0.333CS..THydrogen-bonded Turntrans-80.2-71.3180-61.9-0.3000112.7C78 K82 I98 C102 K106C78-D80 VanDerWaalsContact C-N 3.29Å; C78-D80 PolarHBondContact O-N 3.28Å; C78-D80 PolarHBondContact SG-N 2.83Å; D80-K82 VanDerWaalsContact C-N 3.29Å; D80-K82 PolarHBondContact O-N 3.13Å; D80-I98 VanDerWaalsContact OD2-CD1 3.25Å; D80-I98 WeakPolarHBondContact OD2-CD1 3.22Å; D80-C102 HydrophobicContact CB-CB 3.91Å; D80-C102 WeakPolarHBondContact OD2-CB 3.39Å; D80-K106 VanDerWaalsContact CG-CE 3.47Å; D80-K106 VanDerWaalsContact CG-NZ 3.31Å; D80-K106 WeakPolarHBondContact OD1-CE 3.31Å; D80-K106 IonicContact OD1-NZ 2.65Å; D80-K106 PolarHBondContact OD1-NZ 2.75Å; D80-K106 VanDerWaalsContact OD2-CD 3.31Å; D80-K106 WeakPolarHBondContact OD2-CD 3.34Å; D80-K106 WeakPolarHBondContact OD2-CE 3.44Å; D80-K106 IonicContact OD2-NZ 3.26Å; D80-K106 PolarHBondContact OD2-NZ 2.86Å
81C91.2Very high91.6Very high9 Ų966.1 Ų66.16%0.06133%0.332CS..THydrogen-bonded Turntrans-81.7-1-172.966.10000115.3C78 K83 L129C78-C81 VanDerWaalsContact SG-SG 3.64Å; C81-K83 HydrophobicContact CB-CG 4.45Å; C81-K83 WeakPolarHBondContact O-CG 3.41Å; C81-K83 PolarHBondContact O-N 3.04Å; C81-L129 HydrophobicContact CB-CB 3.89Å
82K92.5Very high92Very high147 Ų14764.3 Ų64.364%0.63932%0.321SS*.  trans55.110.9-178.5-45.5-58.7-175.9-174.50115.6C78 C79 D80C78-K82 WeakPolarHBondContact O-CA 2.94Å; C78-K82 PolarHBondContact O-N 3.27Å; C78-K82 VanDerWaalsContact O-N 3.08Å; C79-K82 WeakPolarHBondContact O-CD 3.29Å; C79-K82 WeakPolarHBondContact O-CE 3.41Å; C79-K82 PolarHBondContact O-NZ 3.28Å; D80-K82 VanDerWaalsContact C-N 3.29Å; D80-K82 PolarHBondContact O-N 3.13Å
83K92.9Very high92Very high82 Ų8257.7 Ų57.736%0.35729%0.294SS..  trans-84.5164.8176.2-53.8-50.8179.9-166.80111.7R63 C78 C81 F85 L129R63-K83 HydrophobicContact CB-CB 4.32Å; R63-K83 HydrophobicContact CG-CB 4.35Å; C78-K83 PolarHBondContact N-O 3.48Å; C81-K83 HydrophobicContact CB-CG 4.45Å; C81-K83 WeakPolarHBondContact O-CG 3.41Å; C81-K83 PolarHBondContact O-N 3.04Å; K83-F85 HydrophobicContact CB-CE2 3.69Å; K83-F85 HydrophobicContact CB-CZ 4Å; K83-F85 WeakPolarHBondContact O-CD2 3.08Å; K83-F85 VanDerWaalsContact O-CE2 3.3Å; K83-F85 WeakPolarHBondContact O-CE2 3.25Å; K83-L129 HydrophobicContact CB-CD2 4.47Å; K83-L129 WeakPolarHBondContact CE-O 3.17Å; K83-L129 HydrophobicContact CG-CD2 4.15Å
84S94.5Very high91.9Very high19 Ų1962.1 Ų62.113%0.13332%0.318CS..EExtended strand (participates in β ladder)trans-94.1133.7-176.8-56.30000112.6R63 K75 Y76R63-S84 PolarHBondContact N-O 3.48Å; K75-S84 WeakPolarHBondContact CE-OG 3.36Å; K75-S84 PolarHBondContact NZ-OG 3.44Å; K75-S84 VanDerWaalsContact NZ-OG 3.11Å; Y76-S84 CarbonylContact O-C 3.6Å; Y76-S84 WeakPolarHBondContact O-CA 3.37Å
85F94.7Very high91.7Very high2 Ų262.9 Ų62.91%0.00933%0.332CS..EExtended strand (participates in β ladder)trans-140.1157.9-176.5-61.4-89.3000111.1R63 A64 Y76 C78 K83 C89 T90 C99 L129R63-F85 HydrophobicContact CB-CD1 4.29Å; R63-F85 HydrophobicContact CB-CE1 3.81Å; R63-F85 HydrophobicContact CB-CZ 4.05Å; R63-F85 HydrophobicContact CG-CE1 4.45Å; R63-F85 HydrophobicContact CG-CZ 4.46Å; A64-F85 HydrophobicContact CB-CD1 3.86Å; A64-F85 HydrophobicContact CB-CE1 4.04Å; Y76-F85 PolarHBondContact N-O 3.01Å; Y76-F85 PolarHBondContact O-N 2.74Å; C78-F85 HydrophobicContact CB-CD2 3.86Å; C78-F85 HydrophobicContact CB-CE2 3.59Å; K83-F85 HydrophobicContact CB-CE2 3.69Å; K83-F85 HydrophobicContact CB-CZ 4Å; K83-F85 WeakPolarHBondContact O-CD2 3.08Å; K83-F85 VanDerWaalsContact O-CE2 3.3Å; K83-F85 WeakPolarHBondContact O-CE2 3.25Å; F85-C89 HydrophobicContact CB-CB 4.25Å; F85-C89 HydrophobicContact CD1-CB 4.28Å; F85-T90 HydrophobicContact CB-CG2 3.32Å; F85-T90 HydrophobicContact CD2-CG2 4.49Å; F85-T90 HydrophobicContact CG-CG2 4.14Å; F85-C99 HydrophobicContact CD1-CB 3.8Å; F85-C99 HydrophobicContact CD2-CB 3.67Å; F85-C99 HydrophobicContact CE1-CB 3.57Å; F85-C99 HydrophobicContact CE2-CB 3.45Å; F85-C99 VanDerWaalsContact CE2-CB 3.45Å; F85-C99 HydrophobicContact CG-CB 3.84Å; F85-C99 HydrophobicContact CZ-CB 3.39Å; F85-L129 HydrophobicContact CE1-CD2 4.36Å; F85-L129 HydrophobicContact CZ-CD1 4.24Å; F85-L129 HydrophobicContact CZ-CD2 3.8Å
86C94.1Very high91.6Very high1 Ų162.9 Ų62.91%0.00734%0.337CS..EExtended strand (participates in β ladder)trans-86.6167.6173.676.10000111.6C62 F69 R73 L88 C89 T90C62-C86 HydrophobicContact CB-CB 4.36Å; C62-C86 PolarHBondContact SG-N 3.38Å; C62-C86 VanDerWaalsContact SG-N 3.36Å; F69-C86 HydrophobicContact CE1-CB 4.34Å; R73-C86 HydrophobicContact CG-CB 3.74Å; C86-L88 PolarHBondContact O-N 3.17Å; C86-L88 VanDerWaalsContact O-N 3.15Å; C86-C89 CarbonylContact O-C 3.5Å; C86-C89 PolarHBondContact O-N 3.47Å; C86-T90 PolarHBondContact O-N 3.02Å; C86-T90 PolarHBondContact O-OG1 2.83Å
87S91.8Very high91.6Very high59 Ų5963.4 Ų63.441%0.41334%0.338SS..G310 helixtrans-51.6-37.9178.3500000113.6C89 T90S87-C89 VanDerWaalsContact C-N 3.29Å; S87-C89 PolarHBondContact O-N 3.17Å; S87-T90 PolarHBondContact O-OG1 3.44Å
88L92.5Very high91.6Very high150 Ų15059.7 Ų59.779%0.78532%0.315SS*.G310 helixtrans-75.2-14.7179.2-63172.8000114.1C86C86-L88 PolarHBondContact O-N 3.17Å; C86-L88 VanDerWaalsContact O-N 3.15Å
89C93.9Very high91.7Very high21 Ų2159.7 Ų59.714%0.14232%0.315CS..G310 helixtrans-109.48179.8-59.10000112.2A64 F85 C86 S87 C99 A100A64-C89 HydrophobicContact CB-CB 3.79Å; F85-C89 HydrophobicContact CB-CB 4.25Å; F85-C89 HydrophobicContact CD1-CB 4.28Å; C86-C89 CarbonylContact O-C 3.5Å; C86-C89 PolarHBondContact O-N 3.47Å; S87-C89 VanDerWaalsContact C-N 3.29Å; S87-C89 PolarHBondContact O-N 3.17Å; C89-C99 WeakPolarHBondContact O-CA 3.35Å; C89-A100 PolarHBondContact O-N 2.84Å
90T94.2Very high91.7Very high10 Ų1060.6 Ų60.66%0.06133%0.325CS..EExtended strand (participates in β ladder)trans-127.8145.2176.955.60000110.5F85 C86 S87 R97 I98F85-T90 HydrophobicContact CB-CG2 3.32Å; F85-T90 HydrophobicContact CD2-CG2 4.49Å; F85-T90 HydrophobicContact CG-CG2 4.14Å; C86-T90 PolarHBondContact O-N 3.02Å; C86-T90 PolarHBondContact O-OG1 2.83Å; S87-T90 PolarHBondContact O-OG1 3.44Å; T90-R97 PolarHBondContact OG1-NH1 2.94Å; T90-I98 CarbonylContact C-O 3.59Å; T90-I98 WeakPolarHBondContact CA-O 3.39Å
91E92.1Very high91.8Very high91 Ų9160.5 Ų60.543%0.42533%0.325SS..EExtended strand (participates in β ladder)trans-114159.9171.4-66.2-179.1-164.900108.9R97 I98 H103E91-R97 WeakPolarHBondContact O-CA 3.27Å; E91-I98 HydrophobicContact CB-CG2 4.27Å; E91-I98 PolarHBondContact N-O 3.04Å; E91-I98 PolarHBondContact O-N 2.86Å; E91-H103 IonicContact OE2-CE1 3.09Å; E91-H103 PolarHBondContact OE2-CE1 3.25Å; E91-H103 IonicContact OE2-CG 3.67Å; E91-H103 IonicContact OE2-ND1 2.76Å; E91-H103 PolarHBondContact OE2-ND1 2.96Å
92V91.3Very high91.9Very high90 Ų9060.1 Ų60.155%0.54532%0.322SS..EExtended strand (participates in β ladder)trans-102.1116.5176.3-179.10000107.6L96V92-L96 CarbonylContact C-O 3.58Å; V92-L96 WeakPolarHBondContact CA-O 3.48Å
93L84.3Confident92Very high60 Ų6055.8 Ų55.831%0.31431%0.305SS..EExtended strand (participates in β ladder)trans-118.3116.7174.4-177.266.7000107.2S95 L96 I98L93-S95 VanDerWaalsContact C-N 3.29Å; L93-S95 PolarHBondContact O-N 3.48Å; L93-L96 PolarHBondContact N-O 3.22Å; L93-L96 WeakPolarHBondContact O-CA 3.36Å; L93-L96 PolarHBondContact O-N 2.87Å; L93-I98 HydrophobicContact CB-CG2 3.94Å; L93-I98 HydrophobicContact CD2-CD1 4.47Å
94E84.1Confident92Very high170 Ų17055 Ų5579%0.79430%0.304SS*.THydrogen-bonded Turntrans49.648.4176.7-62.9172.1-179.700113L96E94-L96 PolarHBondContact O-N 3.47Å; E94-L96 VanDerWaalsContact O-N 3.14Å
95S85.9Confident92Very high113 Ų11354.1 Ų54.179%0.7930%0.298SS*.THydrogen-bonded Turntrans69-6.9-175.877.50000117L93L93-S95 VanDerWaalsContact C-N 3.29Å; L93-S95 PolarHBondContact O-N 3.48Å
96L89.4Confident91.7Very high103 Ų10358 Ų5854%0.53932%0.315SS..EExtended strand (participates in β ladder)trans-94.9150.4175.1-63.6175.1000112.2C79 V92 L93 E94C79-L96 HydrophobicContact CB-CB 4.27Å; C79-L96 HydrophobicContact CB-CD1 4.34Å; V92-L96 CarbonylContact C-O 3.58Å; V92-L96 WeakPolarHBondContact CA-O 3.48Å; L93-L96 PolarHBondContact N-O 3.22Å; L93-L96 WeakPolarHBondContact O-CA 3.36Å; L93-L96 PolarHBondContact O-N 2.87Å; E94-L96 PolarHBondContact O-N 3.47Å; E94-L96 VanDerWaalsContact O-N 3.14Å
97R93.4Very high91.6Very high71 Ų7160.5 Ų60.527%0.26834%0.335SS..EExtended strand (participates in β ladder)trans-89.1123.4175.8-75.1-78.6-176.6171.7-5.2110Y76 C78 C79 T90 E91Y76-R97 HydrophobicContact CD1-CG 3.86Å; Y76-R97 HydrophobicContact CG-CG 4.33Å; C78-R97 CarbonylContact C-O 3.57Å; C78-R97 VanDerWaalsContact CA-O 3.32Å; C78-R97 WeakPolarHBondContact CA-O 3.23Å; C79-R97 PolarHBondContact N-O 3.08Å; C79-R97 PolarHBondContact SG-O 3.41Å; T90-R97 PolarHBondContact OG1-NH1 2.94Å; E91-R97 WeakPolarHBondContact O-CA 3.27Å
98I94.8Very high91.5Very high0 Ų058.1 Ų58.10%032%0.318CS..EExtended strand (participates in β ladder)trans-121.6141.1176.1-171.8165.6000109.9D80 T90 E91 L93 C102 H103 K106D80-I98 VanDerWaalsContact OD2-CD1 3.25Å; D80-I98 WeakPolarHBondContact OD2-CD1 3.22Å; T90-I98 CarbonylContact C-O 3.59Å; T90-I98 WeakPolarHBondContact CA-O 3.39Å; E91-I98 HydrophobicContact CB-CG2 4.27Å; E91-I98 PolarHBondContact N-O 3.04Å; E91-I98 PolarHBondContact O-N 2.86Å; L93-I98 HydrophobicContact CB-CG2 3.94Å; L93-I98 HydrophobicContact CD2-CD1 4.47Å; I98-C102 HydrophobicContact CD1-CB 3.98Å; I98-C102 HydrophobicContact CG1-CB 3.73Å; I98-H103 HydrophobicContact CD1-CB 4.08Å; I98-H103 HydrophobicContact CG1-CB 4.14Å; I98-H103 HydrophobicContact CG2-CB 3.96Å; I98-K106 HydrophobicContact CD1-CD 3.71Å
99C95Very high91.4Very high0 Ų053 Ų530%030%0.297CS..EExtended strand (participates in β ladder)trans-76.6152.9175.379.70000110.9C78 F85 C89 T101 C102 H103C78-C99 HydrophobicContact CB-CB 4.15Å; C78-C99 PolarHBondContact SG-N 3.37Å; F85-C99 HydrophobicContact CD1-CB 3.8Å; F85-C99 HydrophobicContact CD2-CB 3.67Å; F85-C99 HydrophobicContact CE1-CB 3.57Å; F85-C99 HydrophobicContact CE2-CB 3.45Å; F85-C99 VanDerWaalsContact CE2-CB 3.45Å; F85-C99 HydrophobicContact CG-CB 3.84Å; F85-C99 HydrophobicContact CZ-CB 3.39Å; C89-C99 WeakPolarHBondContact O-CA 3.35Å; C99-T101 PolarHBondContact O-N 3.48Å; C99-T101 VanDerWaalsContact O-N 3.14Å; C99-C102 PolarHBondContact O-N 3.19Å; C99-C102 VanDerWaalsContact O-N 3.1Å; C99-C102 PolarHBondContact SG-N 3.44Å; C99-C102 VanDerWaalsContact SG-N 3.37Å; C99-C102 PolarHBondContact SG-SG 3.11Å; C99-H103 WeakPolarHBondContact O-CB 3.05Å; C99-H103 PolarHBondContact O-N 3.17Å
100A92.3Very high91.3Very high48 Ų4853 Ų5340%0.39730%0.295SS..Hα-helixtrans-54.7-36.8-177.400000113.3C89 L104C89-A100 PolarHBondContact O-N 2.84Å; A100-L104 VanDerWaalsContact O-CB 3.31Å; A100-L104 WeakPolarHBondContact O-CB 3.01Å; A100-L104 PolarHBondContact O-N 2.93Å
101T93.8Very high91.1Very high25 Ų2557.8 Ų57.815%0.15332%0.316CS..Hα-helixtrans-67.1-47.6177.4-50.70000112.1C99 H103 L104 L105 Q125 Y126 L129C99-T101 PolarHBondContact O-N 3.48Å; C99-T101 VanDerWaalsContact O-N 3.14Å; T101-H103 VanDerWaalsContact C-N 3.34Å; T101-L104 PolarHBondContact O-N 2.9Å; T101-L105 HydrophobicContact CG2-CD1 4.14Å; T101-L105 WeakPolarHBondContact O-CD1 3.36Å; T101-L105 PolarHBondContact O-N 3.33Å; T101-L105 VanDerWaalsContact O-N 3.13Å; T101-Q125 HydrophobicContact CG2-CB 4.26Å; T101-Q125 HydrophobicContact CG2-CG 3.99Å; T101-Y126 HydrophobicContact CG2-CD2 4.47Å; T101-L129 HydrophobicContact CG2-CD1 4.04Å
102C93.4Very high91Very high0 Ų058.3 Ų58.30%031%0.314CS..Hα-helixtrans-65.6-39.7178-71.20000111.4D80 I98 C99 L104 L105 K106D80-C102 HydrophobicContact CB-CB 3.91Å; D80-C102 WeakPolarHBondContact OD2-CB 3.39Å; I98-C102 HydrophobicContact CD1-CB 3.98Å; I98-C102 HydrophobicContact CG1-CB 3.73Å; C99-C102 PolarHBondContact O-N 3.19Å; C99-C102 VanDerWaalsContact O-N 3.1Å; C99-C102 PolarHBondContact SG-N 3.44Å; C99-C102 VanDerWaalsContact SG-N 3.37Å; C99-C102 PolarHBondContact SG-SG 3.11Å; C102-L104 PolarHBondContact O-N 2.8Å; C102-L105 PolarHBondContact O-N 3.25Å; C102-K106 PolarHBondContact O-N 2.74Å
103H93.6Very high91Very high57 Ų5758.3 Ų58.326%0.26432%0.317SS..Hα-helixtrans-60.8-46.1175.3-176.6-126.8000111.7E91 I98 C99 T101 L105 K106 A107E91-H103 IonicContact OE2-CE1 3.09Å; E91-H103 PolarHBondContact OE2-CE1 3.25Å; E91-H103 IonicContact OE2-CG 3.67Å; E91-H103 IonicContact OE2-ND1 2.76Å; E91-H103 PolarHBondContact OE2-ND1 2.96Å; I98-H103 HydrophobicContact CD1-CB 4.08Å; I98-H103 HydrophobicContact CG1-CB 4.14Å; I98-H103 HydrophobicContact CG2-CB 3.96Å; C99-H103 WeakPolarHBondContact O-CB 3.05Å; C99-H103 PolarHBondContact O-N 3.17Å; T101-H103 VanDerWaalsContact C-N 3.34Å; H103-L105 VanDerWaalsContact C-N 3.32Å; H103-L105 PolarHBondContact O-N 2.79Å; H103-K106 PolarHBondContact O-N 3.02Å; H103-A107 WeakPolarHBondContact O-CB 3.48Å; H103-A107 PolarHBondContact O-N 3.42Å
104L93.6Very high91.5Very high66 Ų6660.7 Ų60.735%0.34632%0.321SS..Hα-helixtrans-57.6-42.8176.3178.364.2000112.3A100 T101 C102 L118 D122A100-L104 VanDerWaalsContact O-CB 3.31Å; A100-L104 WeakPolarHBondContact O-CB 3.01Å; A100-L104 PolarHBondContact O-N 2.93Å; T101-L104 PolarHBondContact O-N 2.9Å; C102-L104 PolarHBondContact O-N 2.8Å; L104-L118 HydrophobicContact CD1-CD2 4Å; L104-L118 HydrophobicContact CD2-CD2 4.21Å; L104-L118 HydrophobicContact CG-CD2 4.05Å; L104-D122 HydrophobicContact CD2-CB 4.13Å
105L93.1Very high91.9Very high0 Ų052.6 Ų52.60%028%0.283CS..Hα-helixtrans-72.4-41178.4-86.787000112.4T101 C102 H103 A107 T108 F110 L115 L118 Y126 V147T101-L105 HydrophobicContact CG2-CD1 4.14Å; T101-L105 WeakPolarHBondContact O-CD1 3.36Å; T101-L105 PolarHBondContact O-N 3.33Å; T101-L105 VanDerWaalsContact O-N 3.13Å; C102-L105 PolarHBondContact O-N 3.25Å; H103-L105 VanDerWaalsContact C-N 3.32Å; H103-L105 PolarHBondContact O-N 2.79Å; L105-A107 PolarHBondContact O-N 3.26Å; L105-T108 WeakPolarHBondContact O-CB 3.49Å; L105-T108 PolarHBondContact O-N 3.14Å; L105-T108 PolarHBondContact O-OG1 3.44Å; L105-F110 HydrophobicContact CB-CE1 4.3Å; L105-L115 HydrophobicContact CD2-CD2 4.23Å; L105-L115 HydrophobicContact CG-CD2 4.43Å; L105-L118 HydrophobicContact CD1-CD1 4.34Å; L105-L118 HydrophobicContact CG-CD1 4.14Å; L105-Y126 HydrophobicContact CB-CD2 4.02Å; L105-Y126 HydrophobicContact CB-CE2 3.97Å; L105-Y126 HydrophobicContact CD1-CD2 3.76Å; L105-Y126 HydrophobicContact CD1-CG 3.83Å; L105-Y126 HydrophobicContact CD2-CD1 3.31Å; L105-Y126 HydrophobicContact CD2-CD2 3.53Å; L105-Y126 HydrophobicContact CD2-CE1 3.62Å; L105-Y126 HydrophobicContact CD2-CE2 3.84Å; L105-Y126 HydrophobicContact CD2-CG 3.22Å; L105-Y126 HydrophobicContact CG-CD2 3.95Å; L105-Y126 HydrophobicContact CG-CE2 4.32Å; L105-Y126 HydrophobicContact CG-CG 4.02Å; L105-V147 HydrophobicContact CD2-CG1 3.94Å; L105-V147 HydrophobicContact CD2-CG2 4.26Å
106K89.7Confident92.3Very high84 Ų8449.3 Ų49.337%0.36526%0.256SS..Hα-helixtrans-57.9-38.3172.9-85-171167.4173.50112.1D80 I98 C102 H103 T108 A109 F110D80-K106 VanDerWaalsContact CG-CE 3.47Å; D80-K106 VanDerWaalsContact CG-NZ 3.31Å; D80-K106 WeakPolarHBondContact OD1-CE 3.31Å; D80-K106 IonicContact OD1-NZ 2.65Å; D80-K106 PolarHBondContact OD1-NZ 2.75Å; D80-K106 VanDerWaalsContact OD2-CD 3.31Å; D80-K106 WeakPolarHBondContact OD2-CD 3.34Å; D80-K106 WeakPolarHBondContact OD2-CE 3.44Å; D80-K106 IonicContact OD2-NZ 3.26Å; D80-K106 PolarHBondContact OD2-NZ 2.86Å; I98-K106 HydrophobicContact CD1-CD 3.71Å; C102-K106 PolarHBondContact O-N 2.74Å; H103-K106 PolarHBondContact O-N 3.02Å; K106-T108 PolarHBondContact O-N 2.64Å; K106-A109 WeakPolarHBondContact O-CA 3.43Å; K106-A109 PolarHBondContact O-N 2.84Å; K106-F110 HydrophobicContact CG-CE2 4.14Å; K106-F110 HydrophobicContact CG-CZ 4.28Å
107A90.6Very high92.5Very high53 Ų5353.2 Ų53.244%0.43826%0.264SS..THydrogen-bonded Turntrans-61.1-18.4175.500000113.4H103 L105 A109 R114H103-A107 WeakPolarHBondContact O-CB 3.48Å; H103-A107 PolarHBondContact O-N 3.42Å; L105-A107 PolarHBondContact O-N 3.26Å; A107-A109 VanDerWaalsContact C-N 3.29Å; A107-R114 VanDerWaalsContact O-CZ 3.28Å; A107-R114 PolarHBondContact O-NH2 2.94Å
108T91.7Very high92.6Very high8 Ų850.8 Ų50.85%0.04926%0.256CS..THydrogen-bonded Turntrans-81-7.6172.873.60000113.8L105 K106 F110 H111 R114 L115 L118L105-T108 WeakPolarHBondContact O-CB 3.49Å; L105-T108 PolarHBondContact O-N 3.14Å; L105-T108 PolarHBondContact O-OG1 3.44Å; K106-T108 PolarHBondContact O-N 2.64Å; T108-F110 PolarHBondContact O-N 3.37Å; T108-F110 PolarHBondContact OG1-N 3Å; T108-H111 PolarHBondContact O-N 3.29Å; T108-R114 HydrophobicContact CG2-CB 4.27Å; T108-R114 VanDerWaalsContact O-CD 3.28Å; T108-R114 WeakPolarHBondContact O-CD 3Å; T108-L115 HydrophobicContact CG2-CD2 4.29Å; T108-L115 WeakPolarHBondContact OG1-CD2 3.37Å; T108-L118 HydrophobicContact CG2-CD1 3.77Å; T108-L118 HydrophobicContact CG2-CD2 4.34Å; T108-L118 HydrophobicContact CG2-CG 4.15Å
109A90.1Very high92.6Very high42 Ų4253.9 Ų53.935%0.34728%0.276SS..THydrogen-bonded Turntrans49.123.3-168.100000113.1K106 A107 H111 R151K106-A109 WeakPolarHBondContact O-CA 3.43Å; K106-A109 PolarHBondContact O-N 2.84Å; A107-A109 VanDerWaalsContact C-N 3.29Å; A109-H111 PolarHBondContact O-N 3.33Å; A109-R151 PolarHBondContact O-NH1 3.1Å
110F90.9Very high92.5Very high21 Ų2156.8 Ų56.89%0.09229%0.293CS..THydrogen-bonded Turntrans51.535.1-175.9-53.8-92000114.1L105 K106 T108 Y126 V147 L148 R151L105-F110 HydrophobicContact CB-CE1 4.3Å; K106-F110 HydrophobicContact CG-CE2 4.14Å; K106-F110 HydrophobicContact CG-CZ 4.28Å; T108-F110 PolarHBondContact O-N 3.37Å; T108-F110 PolarHBondContact OG1-N 3Å; F110-Y126 VanDerWaalsContact CE1-OH 3.3Å; F110-Y126 WeakPolarHBondContact CE1-OH 3.45Å; F110-V147 HydrophobicContact CD1-CG1 3.92Å; F110-V147 HydrophobicContact CE1-CG1 4.26Å; F110-L148 HydrophobicContact CB-CD2 4.3Å; F110-L148 WeakPolarHBondContact O-CD2 3.49Å; F110-R151 VanDerWaalsContact CG-CD 3.45Å
111H91.1Very high92.6Very high111 Ų11163 Ų6351%0.51431%0.307SS..  trans-83.4132.5169.8-71.3-74.8000110.9T108 A109 P113 R114 L115T108-H111 PolarHBondContact O-N 3.29Å; A109-H111 PolarHBondContact O-N 3.33Å; H111-P113 VanDerWaalsContact C-CD 3.49Å; H111-R114 HydrophobicContact CB-CB 4.46Å; H111-R114 HydrophobicContact CB-CG 4.33Å; H111-R114 WeakPolarHBondContact O-CA 3.26Å; H111-R114 WeakPolarHBondContact O-CB 3.21Å; H111-R114 PolarHBondContact O-N 2.98Å; H111-L115 PolarHBondContact O-N 3.13Å
112R89.7Confident92.6Very high102 Ų10263 Ų6339%0.38531%0.306SS..Hα-helixtrans-45.6-49.8179.7-167.8-170.3-166.477.75113.7R114 L115 M116 V144 D145 L148R112-R114 PolarHBondContact O-N 3.27Å; R112-L115 PolarHBondContact O-N 3.19Å; R112-M116 HydrophobicContact CG-CG 4.45Å; R112-M116 WeakPolarHBondContact O-CB 3.36Å; R112-M116 WeakPolarHBondContact O-CG 3.5Å; R112-M116 PolarHBondContact O-N 3.26Å; R112-V144 HydrophobicContact CG-CG1 3.98Å; R112-D145 IonicContact CZ-OD1 3.99Å; R112-D145 IonicContact CZ-OD2 2.79Å; R112-D145 IonicContact NH1-OD1 3.59Å; R112-D145 PolarHBondContact NH1-OD1 3.28Å; R112-D145 IonicContact NH1-OD2 3.66Å; R112-D145 IonicContact NH2-OD1 3.37Å; R112-D145 PolarHBondContact NH2-OD1 2.81Å; R112-D145 IonicContact NH2-OD2 3.18Å; R112-D145 PolarHBondContact NH2-OD2 3.33Å; R112-L148 HydrophobicContact CB-CD1 4.13Å; R112-L148 HydrophobicContact CG-CD1 4.34Å
113P91.6Very high92.7Very high91 Ų9163 Ų6359%0.59131%0.306SS*.Hα-helixtrans-68.6-20.6-178.3-18.633.6000114.1H111 R117H111-P113 VanDerWaalsContact C-CD 3.49Å; P113-R117 PolarHBondContact O-NE 2.98Å; P113-R117 VanDerWaalsContact O-NE 3.08Å
114R93Very high92.7Very high109 Ų10964.2 Ų64.241%0.41131%0.308SS..Hα-helixtrans-84.5-42.4176.9-66178.475.3176.96.2110.4A107 T108 H111 R112 M116 R117A107-R114 VanDerWaalsContact O-CZ 3.28Å; A107-R114 PolarHBondContact O-NH2 2.94Å; T108-R114 HydrophobicContact CG2-CB 4.27Å; T108-R114 VanDerWaalsContact O-CD 3.28Å; T108-R114 WeakPolarHBondContact O-CD 3Å; H111-R114 HydrophobicContact CB-CB 4.46Å; H111-R114 HydrophobicContact CB-CG 4.33Å; H111-R114 WeakPolarHBondContact O-CA 3.26Å; H111-R114 WeakPolarHBondContact O-CB 3.21Å; H111-R114 PolarHBondContact O-N 2.98Å; R112-R114 PolarHBondContact O-N 3.27Å; R114-M116 VanDerWaalsContact C-N 3.34Å; R114-M116 PolarHBondContact O-N 3.27Å; R114-R117 WeakPolarHBondContact O-CB 3.31Å; R114-R117 PolarHBondContact O-N 3.44Å; R114-R117 VanDerWaalsContact O-N 3.14Å
115L93.9Very high92.6Very high0 Ų063.9 Ų63.90%031%0.305CS..Hα-helixtrans-61.7-41173.1-68.9171.7000112L105 T108 H111 R112 R117 L118 L123 V144 V147 L148L105-L115 HydrophobicContact CD2-CD2 4.23Å; L105-L115 HydrophobicContact CG-CD2 4.43Å; T108-L115 HydrophobicContact CG2-CD2 4.29Å; T108-L115 WeakPolarHBondContact OG1-CD2 3.37Å; H111-L115 PolarHBondContact O-N 3.13Å; R112-L115 PolarHBondContact O-N 3.19Å; L115-R117 PolarHBondContact O-N 2.75Å; L115-R117 VanDerWaalsContact O-N 3.1Å; L115-L118 HydrophobicContact CD2-CD1 4.2Å; L115-L118 WeakPolarHBondContact O-CB 3.46Å; L115-L118 PolarHBondContact O-N 3.32Å; L115-L123 HydrophobicContact CD2-CD2 4.25Å; L115-V144 HydrophobicContact CB-CB 4.44Å; L115-V144 HydrophobicContact CB-CG1 3.73Å; L115-V144 HydrophobicContact CB-CG2 3.94Å; L115-V144 HydrophobicContact CD1-CG1 4Å; L115-V147 HydrophobicContact CD1-CG1 3.89Å; L115-V147 HydrophobicContact CD2-CG1 4.13Å; L115-L148 HydrophobicContact CD1-CD2 3.71Å; L115-L148 HydrophobicContact CD1-CG 4.02Å
116M92.9Very high92.7Very high44 Ų4464 Ų6422%0.21731%0.305CS..THydrogen-bonded Turntrans-62.1-16.8175.5-77.9-54.8-56.900114.3R112 R114 K140 E141 V144R112-M116 HydrophobicContact CG-CG 4.45Å; R112-M116 WeakPolarHBondContact O-CB 3.36Å; R112-M116 WeakPolarHBondContact O-CG 3.5Å; R112-M116 PolarHBondContact O-N 3.26Å; R114-M116 VanDerWaalsContact C-N 3.34Å; R114-M116 PolarHBondContact O-N 3.27Å; M116-K140 HydrophobicContact CE-CB 4.44Å; M116-K140 HydrophobicContact CE-CD 3.97Å; M116-K140 HydrophobicContact CE-CG 4.12Å; M116-K140 VanDerWaalsContact O-CE 3.29Å; M116-K140 WeakPolarHBondContact O-CE 3.34Å; M116-K140 PolarHBondContact O-NZ 3.34Å; M116-K140 HydrophobicContact SD-CG 4.36Å; M116-E141 HydrophobicContact CE-CG 4.07Å; M116-E141 WeakPolarHBondContact CE-OE1 3.49Å; M116-E141 HydrophobicContact SD-CG 4.12Å; M116-V144 HydrophobicContact CG-CG1 4.45Å; M116-V144 HydrophobicContact CG-CG2 4.23Å; M116-V144 HydrophobicContact SD-CB 4.04Å; M116-V144 HydrophobicContact SD-CG1 4.42Å; M116-V144 HydrophobicContact SD-CG2 3.51Å; M116-V144 VanDerWaalsContact SD-CG2 3.51Å
117R95.5Very high92.8Very high185 Ų18560 Ų6070%0.69829%0.288SS*.THydrogen-bonded Turntrans-87.8-16.1174-73.6-178.3-80.7173.4-9.3113.4P113 R114 L115P113-R117 PolarHBondContact O-NE 2.98Å; P113-R117 VanDerWaalsContact O-NE 3.08Å; R114-R117 WeakPolarHBondContact O-CB 3.31Å; R114-R117 PolarHBondContact O-N 3.44Å; R114-R117 VanDerWaalsContact O-N 3.14Å; L115-R117 PolarHBondContact O-N 2.75Å; L115-R117 VanDerWaalsContact O-N 3.1Å
118L93.9Very high92.9Very high20 Ų2061.6 Ų61.611%0.10529%0.289CS..SBendtrans-72.6150.3177.6-64.9-177.8000111.6L104 L105 T108 L115 L123 K140L104-L118 HydrophobicContact CD1-CD2 4Å; L104-L118 HydrophobicContact CD2-CD2 4.21Å; L104-L118 HydrophobicContact CG-CD2 4.05Å; L105-L118 HydrophobicContact CD1-CD1 4.34Å; L105-L118 HydrophobicContact CG-CD1 4.14Å; T108-L118 HydrophobicContact CG2-CD1 3.77Å; T108-L118 HydrophobicContact CG2-CD2 4.34Å; T108-L118 HydrophobicContact CG2-CG 4.15Å; L115-L118 HydrophobicContact CD2-CD1 4.2Å; L115-L118 WeakPolarHBondContact O-CB 3.46Å; L115-L118 PolarHBondContact O-N 3.32Å; L118-L123 HydrophobicContact CB-CD2 4.33Å; L118-L123 HydrophobicContact CB-CG 4.34Å; L118-L123 HydrophobicContact CD1-CD2 4.22Å; L118-K140 WeakPolarHBondContact O-CE 3.12Å; L118-K140 PolarHBondContact O-NZ 3.08Å
119P94.7Very high92.9Very high65 Ų6561.3 Ų61.342%0.42229%0.286SS..  trans-60.8145.3171.3-23.134000112.5R121 D122 L123P119-R121 PolarHBondContact O-N 3.03Å; P119-D122 WeakPolarHBondContact CD-OD2 3.28Å; P119-D122 WeakPolarHBondContact CG-OD2 3.4Å; P119-D122 PolarHBondContact O-N 3.2Å; P119-L123 PolarHBondContact O-N 3.39Å
120V94.6Very high92.8Very high61 Ų6160.7 Ų60.737%0.3728%0.275SS..Hα-helixtrans-54.1-37.6175.3171.10000111.8D122 L123 R124 K140 L143V120-D122 VanDerWaalsContact C-N 3.3Å; V120-D122 PolarHBondContact O-N 3.07Å; V120-L123 PolarHBondContact O-N 2.82Å; V120-R124 HydrophobicContact CG1-CG 4.31Å; V120-R124 WeakPolarHBondContact O-CB 3.44Å; V120-R124 WeakPolarHBondContact O-CG 3.5Å; V120-R124 PolarHBondContact O-N 3.16Å; V120-K140 HydrophobicContact CG2-CB 4.18Å; V120-K140 HydrophobicContact CG2-CD 3.96Å; V120-K140 HydrophobicContact CG2-CG 3.91Å; V120-L143 HydrophobicContact CG1-CD1 3.7Å
121R94.1Very high92.6Very high180 Ų18064.3 Ų64.368%0.67930%0.303SS*.Hα-helixtrans-56.4-44.1176.5-176.6-165.267-164.9-4.2111.9P119 Q125P119-R121 PolarHBondContact O-N 3.03Å; R121-Q125 WeakPolarHBondContact O-CB 3.43Å; R121-Q125 PolarHBondContact O-N 3.29Å
122D93.7Very high92.5Very high23 Ų2360.5 Ų60.512%0.12329%0.286CS..Hα-helixtrans-76.4-35.6-172.9-58.6-22000110.6L104 P119 V120 Q125 Y126L104-D122 HydrophobicContact CD2-CB 4.13Å; P119-D122 WeakPolarHBondContact CD-OD2 3.28Å; P119-D122 WeakPolarHBondContact CG-OD2 3.4Å; P119-D122 PolarHBondContact O-N 3.2Å; V120-D122 VanDerWaalsContact C-N 3.3Å; V120-D122 PolarHBondContact O-N 3.07Å; D122-Q125 PolarHBondContact O-N 3.03Å; D122-Y126 WeakPolarHBondContact O-CB 3.35Å; D122-Y126 PolarHBondContact O-N 2.83Å
123L94.1Very high92.4Very high0 Ų059.1 Ų59.10%029%0.292CS..Hα-helixtrans-61.4-50.7170.3-64.5172.9000111.4L115 L118 P119 V120 Q125 Y126 L127 K140 L143 V144 V147L115-L123 HydrophobicContact CD2-CD2 4.25Å; L118-L123 HydrophobicContact CB-CD2 4.33Å; L118-L123 HydrophobicContact CB-CG 4.34Å; L118-L123 HydrophobicContact CD1-CD2 4.22Å; P119-L123 PolarHBondContact O-N 3.39Å; V120-L123 PolarHBondContact O-N 2.82Å; L123-Q125 VanDerWaalsContact C-N 3.33Å; L123-Q125 PolarHBondContact O-N 2.95Å; L123-Y126 PolarHBondContact O-N 3.28Å; L123-L127 WeakPolarHBondContact O-CG 3.38Å; L123-L127 PolarHBondContact O-N 3.25Å; L123-K140 HydrophobicContact CD1-CG 4.16Å; L123-L143 HydrophobicContact CB-CB 4.22Å; L123-L143 HydrophobicContact CD1-CB 4.31Å; L123-V144 HydrophobicContact CD1-CG2 3.7Å; L123-V144 HydrophobicContact CD2-CG2 4.39Å; L123-V147 HydrophobicContact CD2-CG2 4.42Å
124R93.4Very high92.3Very high84 Ų8456.2 Ų56.232%0.31727%0.273SS..Hα-helixtrans-62-40.3177.1-73-175.5180-870.2112.1V120 Y126 L127 L128 T134 C137 L143V120-R124 HydrophobicContact CG1-CG 4.31Å; V120-R124 WeakPolarHBondContact O-CB 3.44Å; V120-R124 WeakPolarHBondContact O-CG 3.5Å; V120-R124 PolarHBondContact O-N 3.16Å; R124-Y126 VanDerWaalsContact C-N 3.33Å; R124-Y126 PolarHBondContact O-N 3.25Å; R124-L127 PolarHBondContact O-N 3.04Å; R124-L128 VanDerWaalsContact O-CB 3.28Å; R124-L128 WeakPolarHBondContact O-CB 3.34Å; R124-L128 PolarHBondContact O-N 3.35Å; R124-T134 VanDerWaalsContact NH1-CB 3.32Å; R124-T134 PolarHBondContact NH1-O 3.4Å; R124-T134 PolarHBondContact NH1-OG1 2.74Å; R124-C137 PolarHBondContact NH2-O 2.85Å; R124-L143 HydrophobicContact CG-CD1 3.73Å; R124-L143 HydrophobicContact CG-CD2 3.77Å; R124-L143 HydrophobicContact CG-CG 4.43Å
125Q93.3Very high92Very high59 Ų5957.1 Ų57.128%0.27629%0.286SS..Hα-helixtrans-62.5-41.7177.8-178.559.147.200111.5T101 R121 D122 L123 L128 L129T101-Q125 HydrophobicContact CG2-CB 4.26Å; T101-Q125 HydrophobicContact CG2-CG 3.99Å; R121-Q125 WeakPolarHBondContact O-CB 3.43Å; R121-Q125 PolarHBondContact O-N 3.29Å; D122-Q125 PolarHBondContact O-N 3.03Å; L123-Q125 VanDerWaalsContact C-N 3.33Å; L123-Q125 PolarHBondContact O-N 2.95Å; Q125-L128 PolarHBondContact O-N 3.05Å; Q125-L129 VanDerWaalsContact O-CG 3.27Å; Q125-L129 WeakPolarHBondContact O-CG 3.04Å; Q125-L129 PolarHBondContact O-N 3.48Å
126Y93.6Very high91.4Very high1 Ų162 Ų620%0.00432%0.316CS..Hα-helixtrans-63.2-48.8175.9178.7-97.5000112.5T101 L105 F110 D122 L123 R124 L128 L129 R130 V147T101-Y126 HydrophobicContact CG2-CD2 4.47Å; L105-Y126 HydrophobicContact CB-CD2 4.02Å; L105-Y126 HydrophobicContact CB-CE2 3.97Å; L105-Y126 HydrophobicContact CD1-CD2 3.76Å; L105-Y126 HydrophobicContact CD1-CG 3.83Å; L105-Y126 HydrophobicContact CD2-CD1 3.31Å; L105-Y126 HydrophobicContact CD2-CD2 3.53Å; L105-Y126 HydrophobicContact CD2-CE1 3.62Å; L105-Y126 HydrophobicContact CD2-CE2 3.84Å; L105-Y126 HydrophobicContact CD2-CG 3.22Å; L105-Y126 HydrophobicContact CG-CD2 3.95Å; L105-Y126 HydrophobicContact CG-CE2 4.32Å; L105-Y126 HydrophobicContact CG-CG 4.02Å; F110-Y126 VanDerWaalsContact CE1-OH 3.3Å; F110-Y126 WeakPolarHBondContact CE1-OH 3.45Å; D122-Y126 WeakPolarHBondContact O-CB 3.35Å; D122-Y126 PolarHBondContact O-N 2.83Å; L123-Y126 PolarHBondContact O-N 3.28Å; R124-Y126 VanDerWaalsContact C-N 3.33Å; R124-Y126 PolarHBondContact O-N 3.25Å; Y126-L128 VanDerWaalsContact C-N 3.29Å; Y126-L128 PolarHBondContact O-N 2.96Å; Y126-L129 WeakPolarHBondContact O-CB 3.49Å; Y126-L129 PolarHBondContact O-N 3.43Å; Y126-L129 VanDerWaalsContact O-N 3.07Å; Y126-R130 PolarHBondContact O-N 3.17Å; Y126-R130 PolarHBondContact OH-NE 2.84Å; Y126-R130 PolarHBondContact OH-NH1 2.9Å; Y126-R130 PolarHBondContact OH-NH2 3.31Å; Y126-V147 HydrophobicContact CD1-CG2 4.02Å; Y126-V147 HydrophobicContact CE1-CG1 4.21Å; Y126-V147 HydrophobicContact CE1-CG2 4.35Å
127L93.1Very high91.2Very high0 Ų060.4 Ų60.40%031%0.309CS..Hα-helixtrans-59.4-41.8178.2-67.2167.4000111.1L123 R124 L129 R130 S131 I132 T134 L143 L146 V147L123-L127 WeakPolarHBondContact O-CG 3.38Å; L123-L127 PolarHBondContact O-N 3.25Å; R124-L127 PolarHBondContact O-N 3.04Å; L127-L129 PolarHBondContact O-N 3.36Å; L127-R130 CarbonylContact O-C 3.48Å; L127-R130 PolarHBondContact O-N 3.12Å; L127-S131 PolarHBondContact O-N 2.71Å; L127-I132 HydrophobicContact CB-CB 4.28Å; L127-I132 HydrophobicContact CD2-CB 4.35Å; L127-I132 HydrophobicContact CD2-CD1 3.66Å; L127-I132 HydrophobicContact CD2-CG2 4.43Å; L127-I132 WeakPolarHBondContact O-CB 3.41Å; L127-I132 PolarHBondContact O-N 3.03Å; L127-T134 HydrophobicContact CB-CG2 3.73Å; L127-T134 HydrophobicContact CD1-CG2 3.61Å; L127-T134 HydrophobicContact CG-CG2 4.3Å; L127-L143 HydrophobicContact CD1-CB 4.21Å; L127-L143 HydrophobicContact CD1-CD2 3.76Å; L127-L146 HydrophobicContact CD1-CB 4.18Å; L127-L146 HydrophobicContact CD1-CD2 3.78Å; L127-L146 HydrophobicContact CD2-CB 4.09Å; L127-L146 HydrophobicContact CD2-CD2 3.87Å; L127-L146 HydrophobicContact CD2-CG 4.18Å; L127-L146 HydrophobicContact CG-CD2 4.29Å; L127-V147 HydrophobicContact CD1-CG2 4.18Å; L127-V147 HydrophobicContact CD2-CB 4.48Å; L127-V147 HydrophobicContact CD2-CG2 3.6Å; L127-V147 HydrophobicContact CG-CG2 3.87Å
128L91.9Very high91Very high88 Ų8862.8 Ų62.846%0.46132%0.318SS..Hα-helixtrans-64.2-36.2175.1-17667.2000113.1R124 Q125 Y126 R130 S131R124-L128 VanDerWaalsContact O-CB 3.28Å; R124-L128 WeakPolarHBondContact O-CB 3.34Å; R124-L128 PolarHBondContact O-N 3.35Å; Q125-L128 PolarHBondContact O-N 3.05Å; Y126-L128 VanDerWaalsContact C-N 3.29Å; Y126-L128 PolarHBondContact O-N 2.96Å; L128-R130 PolarHBondContact O-N 3.28Å; L128-S131 PolarHBondContact O-N 3.2Å; L128-S131 VanDerWaalsContact O-N 3.15Å
129L91.2Very high90.9Very high1 Ų167.7 Ų67.71%0.00534%0.34CS..Hα-helixtrans-65-30.8176.5-76173.4000112.1R63 C81 K83 F85 T101 Q125 Y126 L127 S131R63-L129 HydrophobicContact CB-CD2 4.36Å; R63-L129 HydrophobicContact CG-CD2 3.37Å; C81-L129 HydrophobicContact CB-CB 3.89Å; K83-L129 HydrophobicContact CB-CD2 4.47Å; K83-L129 WeakPolarHBondContact CE-O 3.17Å; K83-L129 HydrophobicContact CG-CD2 4.15Å; F85-L129 HydrophobicContact CE1-CD2 4.36Å; F85-L129 HydrophobicContact CZ-CD1 4.24Å; F85-L129 HydrophobicContact CZ-CD2 3.8Å; T101-L129 HydrophobicContact CG2-CD1 4.04Å; Q125-L129 VanDerWaalsContact O-CG 3.27Å; Q125-L129 WeakPolarHBondContact O-CG 3.04Å; Q125-L129 PolarHBondContact O-N 3.48Å; Y126-L129 WeakPolarHBondContact O-CB 3.49Å; Y126-L129 PolarHBondContact O-N 3.43Å; Y126-L129 VanDerWaalsContact O-N 3.07Å; L127-L129 PolarHBondContact O-N 3.36Å; L129-S131 VanDerWaalsContact C-N 3.33Å
130R88.1Confident90.8Very high29 Ų2967.2 Ų67.211%0.10933%0.332CS..THydrogen-bonded Turntrans-90.510.3174.3-71.5-177.1164.9-160.3-10.3113.9Y126 L127 L128 I132 H150 E154Y126-R130 PolarHBondContact O-N 3.17Å; Y126-R130 PolarHBondContact OH-NE 2.84Å; Y126-R130 PolarHBondContact OH-NH1 2.9Å; Y126-R130 PolarHBondContact OH-NH2 3.31Å; L127-R130 CarbonylContact O-C 3.48Å; L127-R130 PolarHBondContact O-N 3.12Å; L128-R130 PolarHBondContact O-N 3.28Å; R130-I132 HydrophobicContact CB-CD1 3.79Å; R130-I132 HydrophobicContact CB-CG1 3.96Å; R130-I132 PolarHBondContact O-N 3.32Å; R130-H150 PolarHBondContact NH1-CD2 3.35Å; R130-E154 VanDerWaalsContact CZ-CD 3.44Å; R130-E154 IonicContact CZ-OE1 3.28Å; R130-E154 IonicContact CZ-OE2 2.98Å; R130-E154 IonicContact NE-OE1 3.74Å; R130-E154 VanDerWaalsContact NH1-CD 3.26Å; R130-E154 IonicContact NH1-OE1 2.87Å; R130-E154 PolarHBondContact NH1-OE1 3.28Å; R130-E154 IonicContact NH1-OE2 3.77Å; R130-E154 PolarHBondContact NH1-OE2 3.49Å; R130-E154 IonicContact NH2-OE1 2.72Å; R130-E154 PolarHBondContact NH2-OE1 3.33Å; R130-E154 IonicContact NH2-OE2 2.68Å; R130-E154 PolarHBondContact NH2-OE2 3.08Å
131S87.9Confident90.6Very high97 Ų9768 Ų6868%0.67833%0.331SS*.THydrogen-bonded Turntrans64.524.1178.33.40000114.1L127 L128 L129L127-S131 PolarHBondContact O-N 2.71Å; L128-S131 PolarHBondContact O-N 3.2Å; L128-S131 VanDerWaalsContact O-N 3.15Å; L129-S131 VanDerWaalsContact C-N 3.33Å
132I89Confident90.6Very high32 Ų3262 Ų6216%0.16431%0.313CS..  trans-92.7126.2179.9-49.1163.8000108.7L127 R130 L146 H150L127-I132 HydrophobicContact CB-CB 4.28Å; L127-I132 HydrophobicContact CD2-CB 4.35Å; L127-I132 HydrophobicContact CD2-CD1 3.66Å; L127-I132 HydrophobicContact CD2-CG2 4.43Å; L127-I132 WeakPolarHBondContact O-CB 3.41Å; L127-I132 PolarHBondContact O-N 3.03Å; R130-I132 HydrophobicContact CB-CD1 3.79Å; R130-I132 HydrophobicContact CB-CG1 3.96Å; R130-I132 PolarHBondContact O-N 3.32Å; I132-L146 HydrophobicContact CB-CD2 4.44Å; I132-L146 HydrophobicContact CG2-CD2 3.37Å; I132-L146 HydrophobicContact CG2-CG 3.9Å; I132-H150 HydrophobicContact CD1-CB 3.81Å; I132-H150 WeakPolarHBondContact CD1-CD2 3.1Å; I132-H150 VanDerWaalsContact CD1-CG 3.43Å
133S86.6Confident90.5Very high73 Ų7360.9 Ų60.951%0.5131%0.307SS..  trans-70.2142.6177.3-1670000111.1D135 L146S133-D135 WeakPolarHBondContact CB-OD1 3.45Å; S133-D135 PolarHBondContact OG-OD1 2.92Å; S133-L146 WeakPolarHBondContact O-CD2 3.38Å
134T90.6Very high90.4Very high29 Ų2960.9 Ų60.918%0.17831%0.307CS..  trans-122.920.7178.662.50000112.2R124 L127 T136 C137 L143 L146R124-T134 VanDerWaalsContact NH1-CB 3.32Å; R124-T134 PolarHBondContact NH1-O 3.4Å; R124-T134 PolarHBondContact NH1-OG1 2.74Å; L127-T134 HydrophobicContact CB-CG2 3.73Å; L127-T134 HydrophobicContact CD1-CG2 3.61Å; L127-T134 HydrophobicContact CG-CG2 4.3Å; T134-T136 VanDerWaalsContact C-N 3.32Å; T134-C137 PolarHBondContact O-N 3.1Å; T134-L143 HydrophobicContact CG2-CD2 3.8Å; T134-L146 HydrophobicContact CG2-CD2 4.23Å
135D85.8Confident90.3Very high128 Ų12859.7 Ų59.768%0.68431%0.307SS*.SBendtrans-69.6-28.7-179.660.8-36.4000112.7S133S133-D135 WeakPolarHBondContact CB-OD1 3.45Å; S133-D135 PolarHBondContact OG-OD1 2.92Å
136T81.3Confident90.2Very high102 Ų10259 Ų5963%0.62631%0.305SS*.SBendtrans-83.9-12.7176.457.50000113.8T134 R138T134-T136 VanDerWaalsContact C-N 3.32Å; T136-R138 PolarHBondContact O-N 3.22Å
137C88.8Confident90.1Very high11 Ų1159 Ų597%0.07431%0.305CS..  trans-82.6114-174.6-54.30000112.1R124 T134 D142 L143R124-C137 PolarHBondContact NH2-O 2.85Å; T134-C137 PolarHBondContact O-N 3.1Å; C137-D142 HydrophobicContact CB-CB 3.81Å; C137-L143 HydrophobicContact CB-CD2 3.6Å; C137-L143 HydrophobicContact CB-CG 3.99Å
138R91.6Very high89.9Confident235 Ų23561.3 Ų61.389%0.88732%0.317SS*.  trans-98.9-32.6178.9-71.1-178.2148.6161.5-4.2112.4T136 D142T136-R138 PolarHBondContact O-N 3.22Å; R138-D142 PolarHBondContact N-OD2 3.34Å
139E92.6Very high89.6Confident123 Ų12360.5 Ų60.558%0.57532%0.318SS*.SBendtrans-113.5166.5-178.5-59.8-171.113300111.4E141 D142E139-E141 VanDerWaalsContact C-N 3.27Å; E139-D142 PolarHBondContact N-OD2 3.14Å
140K91.9Very high89.1Confident56 Ų5663.4 Ų63.424%0.24333%0.331CS..Hα-helixtrans-70.9-34177.7-179.5177.1-176.3-177.50110.3M116 L118 V120 L123 D142 L143 V144M116-K140 HydrophobicContact CE-CB 4.44Å; M116-K140 HydrophobicContact CE-CD 3.97Å; M116-K140 HydrophobicContact CE-CG 4.12Å; M116-K140 VanDerWaalsContact O-CE 3.29Å; M116-K140 WeakPolarHBondContact O-CE 3.34Å; M116-K140 PolarHBondContact O-NZ 3.34Å; M116-K140 HydrophobicContact SD-CG 4.36Å; L118-K140 WeakPolarHBondContact O-CE 3.12Å; L118-K140 PolarHBondContact O-NZ 3.08Å; V120-K140 HydrophobicContact CG2-CB 4.18Å; V120-K140 HydrophobicContact CG2-CD 3.96Å; V120-K140 HydrophobicContact CG2-CG 3.91Å; L123-K140 HydrophobicContact CD1-CG 4.16Å; K140-D142 VanDerWaalsContact C-N 3.32Å; K140-L143 WeakPolarHBondContact O-CB 3.39Å; K140-L143 PolarHBondContact O-N 2.69Å; K140-L143 VanDerWaalsContact O-N 3.17Å; K140-V144 PolarHBondContact O-N 3.33Å; K140-V144 VanDerWaalsContact O-N 3.16Å
141E91Very high88.5Confident77 Ų7767 Ų6736%0.3634%0.344SS..Hα-helixtrans-56.8-45.7175.4-69.168.7-155.600110.3M116 E139 L143 V144 D145M116-E141 HydrophobicContact CE-CG 4.07Å; M116-E141 WeakPolarHBondContact CE-OE1 3.49Å; M116-E141 HydrophobicContact SD-CG 4.12Å; E139-E141 VanDerWaalsContact C-N 3.27Å; E141-L143 PolarHBondContact O-N 3.18Å; E141-V144 CarbonylContact O-C 3.11Å; E141-V144 WeakPolarHBondContact O-CA 3.34Å; E141-V144 WeakPolarHBondContact O-CB 3.37Å; E141-V144 PolarHBondContact O-N 3.26Å; E141-D145 PolarHBondContact O-N 3.34Å
142D92.5Very high87.2Confident54 Ų5464.7 Ų64.729%0.28933%0.332SS..Hα-helixtrans-54.1-39.9175.8-60-25.5000112.4C137 R138 E139 K140 L146C137-D142 HydrophobicContact CB-CB 3.81Å; R138-D142 PolarHBondContact N-OD2 3.34Å; E139-D142 PolarHBondContact N-OD2 3.14Å; K140-D142 VanDerWaalsContact C-N 3.32Å; D142-L146 WeakPolarHBondContact O-CB 3.25Å; D142-L146 PolarHBondContact O-N 3.44Å
143L91.7Very high85.6Confident0 Ų069.2 Ų69.20%035%0.35CS..Hα-helixtrans-71.2-36.9178.6-61.8167.8000111.7V120 L123 R124 L127 T134 C137 K140 E141 V147V120-L143 HydrophobicContact CG1-CD1 3.7Å; L123-L143 HydrophobicContact CB-CB 4.22Å; L123-L143 HydrophobicContact CD1-CB 4.31Å; R124-L143 HydrophobicContact CG-CD1 3.73Å; R124-L143 HydrophobicContact CG-CD2 3.77Å; R124-L143 HydrophobicContact CG-CG 4.43Å; L127-L143 HydrophobicContact CD1-CB 4.21Å; L127-L143 HydrophobicContact CD1-CD2 3.76Å; T134-L143 HydrophobicContact CG2-CD2 3.8Å; C137-L143 HydrophobicContact CB-CD2 3.6Å; C137-L143 HydrophobicContact CB-CG 3.99Å; K140-L143 WeakPolarHBondContact O-CB 3.39Å; K140-L143 PolarHBondContact O-N 2.69Å; K140-L143 VanDerWaalsContact O-N 3.17Å; E141-L143 PolarHBondContact O-N 3.18Å; L143-V147 VanDerWaalsContact O-CG2 3.3Å; L143-V147 WeakPolarHBondContact O-CG2 3.21Å; L143-V147 PolarHBondContact O-N 3.33Å; L143-V147 VanDerWaalsContact O-N 3.1Å
144V93.4Very high84.1Confident0 Ų069.2 Ų69.20%034%0.342CS..Hα-helixtrans-68.7-41.7176.4172.10000110.4R112 L115 M116 L123 K140 E141 L146 V147 L148R112-V144 HydrophobicContact CG-CG1 3.98Å; L115-V144 HydrophobicContact CB-CB 4.44Å; L115-V144 HydrophobicContact CB-CG1 3.73Å; L115-V144 HydrophobicContact CB-CG2 3.94Å; L115-V144 HydrophobicContact CD1-CG1 4Å; M116-V144 HydrophobicContact CG-CG1 4.45Å; M116-V144 HydrophobicContact CG-CG2 4.23Å; M116-V144 HydrophobicContact SD-CB 4.04Å; M116-V144 HydrophobicContact SD-CG1 4.42Å; M116-V144 HydrophobicContact SD-CG2 3.51Å; M116-V144 VanDerWaalsContact SD-CG2 3.51Å; L123-V144 HydrophobicContact CD1-CG2 3.7Å; L123-V144 HydrophobicContact CD2-CG2 4.39Å; K140-V144 PolarHBondContact O-N 3.33Å; K140-V144 VanDerWaalsContact O-N 3.16Å; E141-V144 CarbonylContact O-C 3.11Å; E141-V144 WeakPolarHBondContact O-CA 3.34Å; E141-V144 WeakPolarHBondContact O-CB 3.37Å; E141-V144 PolarHBondContact O-N 3.26Å; V144-L146 VanDerWaalsContact C-N 3.35Å; V144-V147 PolarHBondContact O-N 3.01Å; V144-L148 HydrophobicContact CG1-CD1 4.14Å; V144-L148 WeakPolarHBondContact O-CG 3.3Å; V144-L148 PolarHBondContact O-N 2.57Å
145D90.3Very high82.3Confident59 Ų5970.9 Ų70.932%0.31635%0.353SS..Hα-helixtrans-60.1-44.9174.1-77.2-44.1000111.4R112 E141 V147 L148 C149R112-D145 IonicContact CZ-OD1 3.99Å; R112-D145 IonicContact CZ-OD2 2.79Å; R112-D145 IonicContact NH1-OD1 3.59Å; R112-D145 PolarHBondContact NH1-OD1 3.28Å; R112-D145 IonicContact NH1-OD2 3.66Å; R112-D145 IonicContact NH2-OD1 3.37Å; R112-D145 PolarHBondContact NH2-OD1 2.81Å; R112-D145 IonicContact NH2-OD2 3.18Å; R112-D145 PolarHBondContact NH2-OD2 3.33Å; E141-D145 PolarHBondContact O-N 3.34Å; D145-V147 VanDerWaalsContact C-N 3.31Å; D145-V147 PolarHBondContact O-N 2.92Å; D145-L148 PolarHBondContact O-N 3.4Å; D145-L148 VanDerWaalsContact O-N 3.15Å; D145-C149 WeakPolarHBondContact O-CB 3.02Å; D145-C149 PolarHBondContact O-N 3.31Å; D145-C149 PolarHBondContact O-SG 2.96Å; D145-C149 VanDerWaalsContact O-SG 3.41Å
146L90.9Very high80.4Confident45 Ų4570.7 Ų70.724%0.23635%0.348CS..Hα-helixtrans-59.6-40.3175.8-147.378.8000112.8L127 I132 S133 T134 D142 V144 H150L127-L146 HydrophobicContact CD1-CB 4.18Å; L127-L146 HydrophobicContact CD1-CD2 3.78Å; L127-L146 HydrophobicContact CD2-CB 4.09Å; L127-L146 HydrophobicContact CD2-CD2 3.87Å; L127-L146 HydrophobicContact CD2-CG 4.18Å; L127-L146 HydrophobicContact CG-CD2 4.29Å; I132-L146 HydrophobicContact CB-CD2 4.44Å; I132-L146 HydrophobicContact CG2-CD2 3.37Å; I132-L146 HydrophobicContact CG2-CG 3.9Å; S133-L146 WeakPolarHBondContact O-CD2 3.38Å; T134-L146 HydrophobicContact CG2-CD2 4.23Å; D142-L146 WeakPolarHBondContact O-CB 3.25Å; D142-L146 PolarHBondContact O-N 3.44Å; V144-L146 VanDerWaalsContact C-N 3.35Å; L146-H150 WeakPolarHBondContact O-CB 3.37Å; L146-H150 PolarHBondContact O-N 3.27Å; L146-H150 VanDerWaalsContact O-N 3.14Å
147V91.4Very high78.4Confident0 Ų071.8 Ų71.80%035%0.35CS..Hα-helixtrans-64.7-41.5176.4167.80000111.2L105 F110 L115 L123 Y126 L127 L143 V144 D145 R151L105-V147 HydrophobicContact CD2-CG1 3.94Å; L105-V147 HydrophobicContact CD2-CG2 4.26Å; F110-V147 HydrophobicContact CD1-CG1 3.92Å; F110-V147 HydrophobicContact CE1-CG1 4.26Å; L115-V147 HydrophobicContact CD1-CG1 3.89Å; L115-V147 HydrophobicContact CD2-CG1 4.13Å; L123-V147 HydrophobicContact CD2-CG2 4.42Å; Y126-V147 HydrophobicContact CD1-CG2 4.02Å; Y126-V147 HydrophobicContact CE1-CG1 4.21Å; Y126-V147 HydrophobicContact CE1-CG2 4.35Å; L127-V147 HydrophobicContact CD1-CG2 4.18Å; L127-V147 HydrophobicContact CD2-CB 4.48Å; L127-V147 HydrophobicContact CD2-CG2 3.6Å; L127-V147 HydrophobicContact CG-CG2 3.87Å; L143-V147 VanDerWaalsContact O-CG2 3.3Å; L143-V147 WeakPolarHBondContact O-CG2 3.21Å; L143-V147 PolarHBondContact O-N 3.33Å; L143-V147 VanDerWaalsContact O-N 3.1Å; V144-V147 PolarHBondContact O-N 3.01Å; D145-V147 VanDerWaalsContact C-N 3.31Å; D145-V147 PolarHBondContact O-N 2.92Å; V147-R151 PolarHBondContact O-N 3.08Å
148L89Confident76.2Confident48 Ų4878.1 Ų78.125%0.25138%0.378SS..Hα-helixtrans-70.4-45.9-179.6-68.3173.8000111.8F110 R112 L115 V144 D145 H150 R151 A152F110-L148 HydrophobicContact CB-CD2 4.3Å; F110-L148 WeakPolarHBondContact O-CD2 3.49Å; R112-L148 HydrophobicContact CB-CD1 4.13Å; R112-L148 HydrophobicContact CG-CD1 4.34Å; L115-L148 HydrophobicContact CD1-CD2 3.71Å; L115-L148 HydrophobicContact CD1-CG 4.02Å; V144-L148 HydrophobicContact CG1-CD1 4.14Å; V144-L148 WeakPolarHBondContact O-CG 3.3Å; V144-L148 PolarHBondContact O-N 2.57Å; D145-L148 PolarHBondContact O-N 3.4Å; D145-L148 VanDerWaalsContact O-N 3.15Å; L148-H150 VanDerWaalsContact C-N 3.35Å; L148-H150 PolarHBondContact O-N 3.39Å; L148-R151 PolarHBondContact O-N 3.19Å; L148-A152 PolarHBondContact O-N 2.8Å
149C86.1Confident73.9Confident72 Ų7273.7 Ų73.749%0.48637%0.367SS..Hα-helixtrans-57.9-47.5177.1-72.90000111.2D145 R151 A152 F153D145-C149 WeakPolarHBondContact O-CB 3.02Å; D145-C149 PolarHBondContact O-N 3.31Å; D145-C149 PolarHBondContact O-SG 2.96Å; D145-C149 VanDerWaalsContact O-SG 3.41Å; C149-R151 PolarHBondContact O-N 3.1Å; C149-A152 WeakPolarHBondContact O-CB 3.5Å; C149-A152 PolarHBondContact O-N 3.49Å; C149-A152 VanDerWaalsContact O-N 3.11Å; C149-F153 WeakPolarHBondContact O-CD2 3.47Å; C149-F153 PolarHBondContact O-N 3.21Å
150H80.7Confident71.5Confident62 Ų6275.8 Ų75.829%0.28738%0.377SS..Hα-helixtrans-71.7-15.3-177.4-170.965.2000114.3R130 I132 L146 L148R130-H150 PolarHBondContact NH1-CD2 3.35Å; I132-H150 HydrophobicContact CD1-CB 3.81Å; I132-H150 WeakPolarHBondContact CD1-CD2 3.1Å; I132-H150 VanDerWaalsContact CD1-CG 3.43Å; L146-H150 WeakPolarHBondContact O-CB 3.37Å; L146-H150 PolarHBondContact O-N 3.27Å; L146-H150 VanDerWaalsContact O-N 3.14Å; L148-H150 VanDerWaalsContact C-N 3.35Å; L148-H150 PolarHBondContact O-N 3.39Å
151R76.5Confident69.2Low103 Ų10381.1 Ų81.139%0.38940%0.403SS..Hα-helixtrans-78.5-37.6167.9-177.6-179.4-179.3-146.60.4111.8A109 F110 V147 L148 C149 F153 E154 V155A109-R151 PolarHBondContact O-NH1 3.1Å; F110-R151 VanDerWaalsContact CG-CD 3.45Å; V147-R151 PolarHBondContact O-N 3.08Å; L148-R151 PolarHBondContact O-N 3.19Å; C149-R151 PolarHBondContact O-N 3.1Å; R151-F153 PolarHBondContact O-N 3.02Å; R151-E154 PolarHBondContact O-N 2.96Å; R151-V155 PolarHBondContact O-N 2.87Å
152A60.3Low66.7Low50 Ų5084.2 Ų84.241%0.41342%0.422SS..Hα-helixtrans-57.9-39.5179.600000111.4L148 C149 E154 V155 E156L148-A152 PolarHBondContact O-N 2.8Å; C149-A152 WeakPolarHBondContact O-CB 3.5Å; C149-A152 PolarHBondContact O-N 3.49Å; C149-A152 VanDerWaalsContact O-N 3.11Å; A152-E154 PolarHBondContact O-N 3.45Å; A152-V155 PolarHBondContact O-N 3.19Å; A152-E156 PolarHBondContact O-N 2.85Å
153F53.9Low64.5Low126 Ų12690.1 Ų90.155%0.55345%0.448SS*.Hα-helixtrans-66.7-28.5174.7-69-73.3000114.6C149 R151 V155C149-F153 WeakPolarHBondContact O-CD2 3.47Å; C149-F153 PolarHBondContact O-N 3.21Å; R151-F153 PolarHBondContact O-N 3.02Å; F153-V155 VanDerWaalsContact C-N 3.27Å; F153-V155 PolarHBondContact O-N 3.41Å
154E56.3Low62.1Low73 Ų7397.3 Ų97.334%0.34149%0.486SS..Hα-helixtrans-76.7-14177.9-71.8178.6150.900112.8R130 R151 A152R130-E154 VanDerWaalsContact CZ-CD 3.44Å; R130-E154 IonicContact CZ-OE1 3.28Å; R130-E154 IonicContact CZ-OE2 2.98Å; R130-E154 IonicContact NE-OE1 3.74Å; R130-E154 VanDerWaalsContact NH1-CD 3.26Å; R130-E154 IonicContact NH1-OE1 2.87Å; R130-E154 PolarHBondContact NH1-OE1 3.28Å; R130-E154 IonicContact NH1-OE2 3.77Å; R130-E154 PolarHBondContact NH1-OE2 3.49Å; R130-E154 IonicContact NH2-OE1 2.72Å; R130-E154 PolarHBondContact NH2-OE1 3.33Å; R130-E154 IonicContact NH2-OE2 2.68Å; R130-E154 PolarHBondContact NH2-OE2 3.08Å; R151-E154 PolarHBondContact O-N 2.96Å; A152-E154 PolarHBondContact O-N 3.45Å
155V52.5Low60.1Low65 Ų65106.3 Ų106.339%0.39453%0.528SS..Hα-helixtrans-95-31.3179.8-176.40000111.1R151 A152 F153 D157 E158R151-V155 PolarHBondContact O-N 2.87Å; A152-V155 PolarHBondContact O-N 3.19Å; F153-V155 VanDerWaalsContact C-N 3.27Å; F153-V155 PolarHBondContact O-N 3.41Å; V155-D157 VanDerWaalsContact C-N 3.28Å; V155-D157 PolarHBondContact O-N 3.38Å; V155-E158 PolarHBondContact O-N 3.37Å
156E44.8Very low58.2Low124 Ų124112.6 Ų112.658%0.57956%0.556SS**Hα-helixtrans-69.8-23.5177.5-68.9173.6-178.900112.7A152A152-E156 PolarHBondContact O-N 2.85Å
157D39.7Very low56.3Low125 Ų125119.3 Ų119.367%0.66859%0.586SS**THydrogen-bonded Turntrans-79.7-14.1176.6-69.8-29.5000113.6V155V155-D157 VanDerWaalsContact C-N 3.28Å; V155-D157 PolarHBondContact O-N 3.38Å
158E43.9Very low54Low144 Ų144127.1 Ų127.167%0.67363%0.628SS**THydrogen-bonded Turntrans-94.2-15.2-179.5-70.9-179173.200112.9V155V155-E158 PolarHBondContact O-N 3.37Å
159E42Very low52.1Low141 Ų141132.5 Ų132.566%0.65966%0.657SS**SBendtrans-91.3-10.2-176.9-66.8-177.5-178.100113.8
160E42Very low50.1Low167 Ų167136.6 Ų136.678%0.7867%0.674SS**SBendtrans-97.3-0.8178.8-65.1-145.9178.400114.6
161E44.2Very low48.6Very low168 Ų168140.4 Ų140.479%0.78570%0.696SS**SBendtrans-95.6-6.2176.8-69.7-172.9170.800113.8
162D39.1Very low47.2Very low143 Ų143143.8 Ų143.877%0.76572%0.722SS**SBendtrans-100.1-0.5-173.9-75.8-29.8000114.8
163E45.3Very low46.6Very low177 Ų177148.4 Ų148.483%0.82774%0.74SS**SBendtrans-100.90.6-175.5-70.8-167.8168.100115.5
164D42.4Very low46.1Very low151 Ų151149 Ų14981%0.80775%0.749SS**SBendtrans-103.75.9-170.5-76.4-21.4000116.4
165E51.3Low45.5Very low190 Ų190152.1 Ų152.189%0.88877%0.768SS**SBendtrans-111.93.5-170.9-85.8-165.8179.400119
166E49.3Very low44.8Very low190 Ų190155.2 Ų155.289%0.88878%0.782SS**  trans-133.782.1176.8-61.8-152.3-162.200114.2
167E50.5Low44.8Very low186 Ų186156.5 Ų156.587%0.86979%0.788SS**  trans-166.798.9148.9-107.3173.5-147.600108.1
168D43.9Very low44.7Very low165 Ų165158 Ų15888%0.88279%0.791SS**  trans176.773.8148.8-85.7-22.2000109.2
169D48.6Very low44.5Very low160 Ų160156.5 Ų156.586%0.85679%0.791SS**  trans-13499.6156.7-95.8-32.9000106.2
170D45Very low44.1Very low158 Ų158158.2 Ų158.285%0.84580%0.799SS**  trans-160.7102.2152.2-90.3-32.7000108.5
171D48.8Very low43.7Very low142 Ų142156.9 Ų156.976%0.75980%0.798SS**  trans29.4125.7143.6-63.3-34.4000120.9
172D47Very low43.8Very low175 Ų175154.3 Ų154.394%0.93680%0.796SS**  -151.4131125.4-99.8-34.4000111
173D48.2Very low43.6Very low146 Ų146154.9 Ų154.978%0.78180%0.799SS**  trans-74.8173.3-179.1-93-50.7000114
174D43.6Very low43.1Very low140 Ų140152.5 Ų152.575%0.74980%0.796SS**  trans95.194.7156.6-70.1-34.1000120.3
175D43.1Very low42.7Very low137 Ų137149.5 Ų149.573%0.73379%0.793SS**  72136.6112.5-94.1-26.6000124
176D38.8Very low41.8Very low131 Ų131145.4 Ų145.470%0.70179%0.785SS**  trans83.4104.7150.9-73.6-40.4000123
177E43.1Very low41.1Very low150 Ų150143.2 Ų143.270%0.70178%0.778SS**  67.6121.2120.7-69.1-99.6137.600122.9
178E39.6Very low40.5Very low158 Ų158141.9 Ų141.974%0.73878%0.777SS**  trans64.8136.4139.9-70.5-158.2157.500118.9
179V38.9Very low40Very low111 Ų111139 Ų13967%0.67377%0.769SS**  cis-170150.218.5-110.90000109.6
180E34.2Very low39.2Very low177 Ų177139.3 Ų139.383%0.82777%0.765SS**  trans59.4119.7146.6-51.3-114.6130.100120.3
181D32.5Very low38.6Very low140 Ų140138.8 Ų138.875%0.74976%0.761SS**  167.713093.2-151.1-4.2000110.5
182P47.4Very low37.6Very low114 Ų114139 Ų13974%0.7476%0.757SS**  trans-120.3112.6161.533.5-18.3000109.9
183N33.8Very low36.8Very low155 Ų155139.9 Ų139.983%0.82975%0.747SS**  trans-140.6132.9151.7-109.8-27.9000115.1
184T35.1Very low36Very low126 Ų126137.9 Ų137.977%0.77374%0.741SS**  trans-77.6157.2-170.147.30000113.5
185A33.4Very low35.4Very low88 Ų88137.9 Ų137.973%0.72774%0.74SS**  trans86.4117.1143.300000118.3
186S34.1Very low34.8Very low104 Ų104136.5 Ų136.573%0.72774%0.736SS**  118.7136.2105.3-113.30000117.4
187L33.8Very low34.5Very low144 Ų144137 Ų13775%0.75474%0.739SS**  trans88.598.4144-63.5163.4000119.3
188L36.7Very low34.1Very low159 Ų159134 Ų13483%0.83274%0.735SS**  15.4112.7114.9-73.4170.8000116.6
189S33.3Very low33.9Very low103 Ų103134.3 Ų134.372%0.7274%0.739SS**  trans-177.8109138.129.70000108.1
190H33.2Very low33.6Very low167 Ų167133 Ų13377%0.77374%0.74SS**  90.4127.491.7-87.936.4000114.4
191I32.9Very low34.6Very low147 Ų147130.2 Ų130.275%0.75474%0.738SS**  trans90.699.4142.7-60159000117.5
192H27.8Very low35.4Very low147 Ų147129 Ų12968%0.68174%0.737SS**  47.4109115.8-100-118.3000120
193R30.4Very low34.8Very low194 Ų194127.9 Ų127.973%0.73274%0.738SS**  72.1145.4109.5-148-177.976.5-154.92.8119.1
194T29.5Very low34.9Very low104 Ų104125.7 Ų125.764%0.63874%0.735SS**  trans98.6133.2155.271.20000114.8
195L32.8Very low34.9Very low139 Ų139127.6 Ų127.673%0.72874%0.735SS**  cis-165.4164.724.1-104.6134.8000112
196T30.2Very low34.9Very low108 Ų108130.2 Ų130.266%0.66374%0.736SS**  trans71.4141.9142530000119.3
197D32.1Very low34.9Very low142 Ų142130.5 Ų130.576%0.75974%0.738SS**  cis-169.9152.912.2-124.8-23000105.6
198S34.1Very low34.8Very low87 Ų87128.1 Ų128.161%0.60874%0.739SS**  175.9137.961.6-99.10000111.2
199I36.3Very low34.6Very low164 Ų164125.3 Ų125.384%0.84174%0.739SS**  68.8129.5128.9-51.1167.1000120.8
200A32.3Very low34.5Very low84 Ų84126.7 Ų126.769%0.69474%0.743SS**  trans-97.7-153.3-168.300000114.2
201P56Low34.5Very low118 Ų118126.9 Ų126.977%0.76675%0.749SS**  -124.4-157.9-78.941.2-22.4000111.3
202P48.8Very low34.5Very low115 Ų115127.6 Ų127.675%0.74775%0.749SS**  -151.3159.86637.7-14.9000118.8
203A33.4Very low34.7Very low91 Ų91128.6 Ų128.675%0.75275%0.754SS**  trans56.8139.1134.200000120.6
204S37.9Very low34.5Very low108 Ų108125 Ų12576%0.75576%0.759SS**  cis-156.7128.121.6-63.30000108
205E33.7Very low34.4Very low166 Ų166128 Ų12878%0.77677%0.77SS**  62.5104.587.2-62.1-119.1125.100114.4
206L33.3Very low34.1Very low144 Ų144127 Ų12775%0.75478%0.775SS**  77.6141.592.9-88.5135000111.9
207S33.8Very low34Very low109 Ų109133.1 Ų133.176%0.76279%0.786SS**  cis-173.217126.141.20000110
208A33Very low33.8Very low95 Ų95130.6 Ų130.679%0.78578%0.779SS**  trans-64.2161.517700000116
209A31.1Very low33.6Very low100 Ų100135.1 Ų135.183%0.82679%0.791SS**  trans-171.6143.3131.900000112.9
210T31.8Very low33.2Very low132 Ų132132.6 Ų132.681%0.8179%0.787SS**  trans-56.5157.2170.9-22.50000114.2
211L33.2Very low33.4Very low171 Ų171134.8 Ų134.890%0.89580%0.795SS**  177.5161.2127.7-91.3174.5000113
212E33.1Very low32.2Very low162 Ų162137.9 Ų137.976%0.75780%0.799SS**  trans-76.3159.2-158.8-66.3-110.3118.900118.8
213E31.2Very low31.3Very low168 Ų168139 Ų13979%0.78580%0.804SS**  trans39.8126.6133.4-162.1156.6104.100121.8
214S26.9Very low31.1Very low119 Ų119141.7 Ų141.783%0.83281%0.805SS**  175.1133.5124.1-73.60000113.3
215L27.7Very low31Very low166 Ų166144.8 Ų144.887%0.86981%0.808SS**  trans-65148.9173.2-67.8143000113.6
216S26.6Very low30.7Very low119 Ų119143.1 Ų143.183%0.83281%0.809SS**  172.8143.4116.135.10000115.8
217R28.4Very low30.6Very low236 Ų236140.6 Ų140.689%0.89180%0.804SS**  trans-32157.9154.7-107.8164.8178.9-153.9-3.9114.5
218S27.9Very low30.5Very low88 Ų88140.9 Ų140.962%0.61580%0.803SS**  cis-176.1160.835.618.90000111.7
219E28.9Very low30.6Very low183 Ų183143.9 Ų143.986%0.85580%0.801SS**  trans79.5130.2145.9-77.3168110.100122.9
220S28.7Very low30.7Very low110 Ų110144.4 Ų144.477%0.76979%0.793SS**  trans-69.1168.9178.4-36.80000113.6
221P36.5Very low30.9Very low131 Ų131148.7 Ų148.785%0.85180%0.795SS**  -140.7158.1102.130.8-13.3000115.1
222E30.6Very low31.2Very low183 Ų183148.8 Ų148.886%0.85579%0.79SS**  trans-66.3144.5-179.8-57.2168.8103.300113.1
223T29.9Very low31.6Very low138 Ų138143.7 Ų143.785%0.84778%0.782SS**  -166.8105.2129.7480000111.6
224N29.1Very low32.6Very low148 Ų148140.7 Ų140.779%0.79179%0.786SS**  trans35.9126.7134.2-86.3-17.7000123.4
225Q35.3Very low34Very low173 Ų173135.8 Ų135.881%0.80875%0.754SS**  trans91.798.7145.7-62.9172.490.800118
226T28.5Very low35.9Very low131 Ų131128.7 Ų128.780%0.80472%0.719SS**  175.7129.899.7-64.80000109.1
227S29.7Very low38.2Very low91 Ų91124.7 Ų124.764%0.63669%0.691SS**  trans-50.4136173.3-175.40000111.9Q229S227-Q229 PolarHBondContact OG-N 3.47Å
228P31.8Very low40.5Very low115 Ų115113.6 Ų113.675%0.74765%0.65SS**  -117123.9108.7-0.919.3000108.9T230P228-T230 VanDerWaalsContact C-N 3.34Å; P228-T230 PolarHBondContact O-N 3.44Å
229Q36Very low42.6Very low158 Ų158113.5 Ų113.574%0.73865%0.649SS**  trans-46.399.3163.4-75.7176.5-31.200109.3S227 R231S227-Q229 PolarHBondContact OG-N 3.47Å; Q229-R231 PolarHBondContact O-N 2.83Å
230T32.8Very low44.8Very low110 Ų110110.1 Ų110.168%0.67564%0.637SS**  trans-65.695.6151.648.10000104.7P228 H232P228-T230 VanDerWaalsContact C-N 3.34Å; P228-T230 PolarHBondContact O-N 3.44Å; T230-H232 PolarHBondContact O-N 2.85Å
231R36.4Very low47.2Very low223 Ų223105.6 Ų105.684%0.84260%0.604SS**  trans-52.692.4156.2-68.8-178.8173.2-174.8-2.6105.2Q229 G233Q229-R231 PolarHBondContact O-N 2.83Å; R231-G233 PolarHBondContact O-N 2.75Å
232H38.8Very low48.9Very low172 Ų172104.2 Ų104.280%0.79660%0.597SS**  trans-61.989.9156.5-79.7-75.9000103.8T230 A234T230-H232 PolarHBondContact O-N 2.85Å; H232-A234 PolarHBondContact O-N 3.47Å
233G41.7Very low50.9Low56 Ų5697.4 Ų97.458%0.57757%0.57SS**  trans-52.7136.6-172.400000108.3R231 G235R231-G233 PolarHBondContact O-N 2.75Å; G233-G235 PolarHBondContact O-N 3.05Å
234A52.2Low52.9Low105 Ų10593.8 Ų93.887%0.86855%0.547SS*.  trans-47100159.800000106.5H232H232-A234 PolarHBondContact O-N 3.47Å
235G57.3Low55.1Low16 Ų1697 Ų9717%0.16555%0.548CS..PPolyproline II helixtrans-75.7153.7-170.500000109.4G233 S237 E257 R261G233-G235 PolarHBondContact O-N 3.05Å; G235-S237 PolarHBondContact O-N 3.39Å; G235-S237 VanDerWaalsContact O-N 3.14Å; G235-E257 VanDerWaalsContact CA-OE1 3.22Å; G235-E257 WeakPolarHBondContact CA-OE1 3.4Å; G235-R261 VanDerWaalsContact O-CZ 3.27Å; G235-R261 PolarHBondContact O-NH1 2.68Å
236A65.8Low57.1Low17 Ų1792.6 Ų92.614%0.1453%0.53CS..PPolyproline II helixtrans-49.8118.3-17000000112.5Q254 I258 R261A236-Q254 HydrophobicContact CB-CB 4.22Å; A236-Q254 HydrophobicContact CB-CG 4.29Å; A236-I258 HydrophobicContact CB-CD1 3.99Å; A236-I258 HydrophobicContact CB-CG1 3.81Å; A236-I258 WeakPolarHBondContact O-CG1 3.47Å; A236-R261 VanDerWaalsContact N-NH1 3.13Å; A236-R261 PolarHBondContact O-NH1 2.87Å
237S76.6Confident59.8Low35 Ų3586.3 Ų86.325%0.24549%0.492CS..PPolyproline II helixtrans-100.7155.8171.6-175.40000110.1G235 S239 D240G235-S237 PolarHBondContact O-N 3.39Å; G235-S237 VanDerWaalsContact O-N 3.14Å; S237-S239 PolarHBondContact O-N 3.31Å; S237-S239 PolarHBondContact OG-N 2.99Å; S237-D240 WeakPolarHBondContact CB-OD2 3.38Å; S237-D240 PolarHBondContact N-OD2 3.45Å; S237-D240 PolarHBondContact O-N 3.45Å; S237-D240 VanDerWaalsContact O-N 3.12Å
238V76.3Confident62.4Low3 Ų389 Ų892%0.01849%0.492CS..G310 helixtrans-59.4-29.5169.3-179.10000110.6D240 I241 I258 N262 L282 Y283 K286V238-D240 PolarHBondContact O-N 2.99Å; V238-I241 PolarHBondContact O-N 3.23Å; V238-I258 HydrophobicContact CG2-CG2 3.46Å; V238-I258 VanDerWaalsContact CG2-CG2 3.46Å; V238-N262 WeakPolarHBondContact CG2-ND2 2.95Å; V238-L282 HydrophobicContact CG2-CD2 3.6Å; V238-L282 HydrophobicContact CG2-CG 4.17Å; V238-Y283 HydrophobicContact CG1-CD2 4.12Å; V238-K286 HydrophobicContact CB-CD 4.24Å; V238-K286 HydrophobicContact CG1-CD 3.7Å
239S71.4Confident64.8Low86 Ų8686.7 Ų86.760%0.60149%0.489SS*.G310 helixtrans-68.6-13.3179.1-49.20000113.9S237 K286S237-S239 PolarHBondContact O-N 3.31Å; S237-S239 PolarHBondContact OG-N 2.99Å; S239-K286 PolarHBondContact OG-NZ 3.2Å
240D76.2Confident67.1Low112 Ų11280.5 Ų80.560%0.59946%0.461SS*.G310 helixtrans-93.3-0.9180-53-40.5000112.5S237 V238S237-D240 WeakPolarHBondContact CB-OD2 3.38Å; S237-D240 PolarHBondContact N-OD2 3.45Å; S237-D240 PolarHBondContact O-N 3.45Å; S237-D240 VanDerWaalsContact O-N 3.12Å; V238-D240 PolarHBondContact O-N 2.99Å
241I78.9Confident69.8Low15 Ų1577.6 Ų77.68%0.07745%0.446CS..  trans-98.5123.1-177.8-55.2172000107.8V238 D246 I247 L250 I258 V279 Y283V238-I241 PolarHBondContact O-N 3.23Å; I241-D246 HydrophobicContact CG2-CB 4.4Å; I241-I247 HydrophobicContact CD1-CG1 4.45Å; I241-I247 HydrophobicContact CG2-CD1 4.23Å; I241-I247 HydrophobicContact CG2-CG1 3.61Å; I241-L250 HydrophobicContact CD1-CD1 4.21Å; I241-I258 HydrophobicContact CD1-CD1 3.9Å; I241-V279 HydrophobicContact CD1-CG1 4.21Å; I241-Y283 HydrophobicContact CB-CD2 4.15Å; I241-Y283 HydrophobicContact CB-CE2 4.07Å; I241-Y283 HydrophobicContact CG2-CD2 4.02Å; I241-Y283 HydrophobicContact CG2-CE2 3.96Å; I241-Y283 VanDerWaalsContact O-CE2 3.26Å; I241-Y283 WeakPolarHBondContact O-CE2 3.49Å
242S71.1Confident72.2Confident102 Ų10270 Ų7071%0.71342%0.423SS*.  trans-101.8-17.8-178.5-58.20000113.4Y283S242-Y283 PolarHBondContact O-OH 3.14Å
243S72.4Confident74.5Confident39 Ų3971.1 Ų71.127%0.27342%0.421SS..SBendtrans-153.3158.5-179.978.40000113.5R245 D246S243-R245 PolarHBondContact O-N 3.06Å; S243-R245 PolarHBondContact OG-N 3.09Å; S243-D246 WeakPolarHBondContact CB-OD2 3.42Å; S243-D246 PolarHBondContact N-OD2 3.39Å; S243-D246 VanDerWaalsContact N-OD2 3.09Å; S243-D246 WeakPolarHBondContact O-CB 3.48Å; S243-D246 PolarHBondContact O-N 2.68Å; S243-D246 VanDerWaalsContact O-N 3.09Å; S243-D246 PolarHBondContact OG-N 3.2Å; S243-D246 PolarHBondContact OG-OD2 2.99Å
244V73.5Confident76.7Confident63 Ų6371.9 Ų71.938%0.38241%0.409SS..Hα-helixtrans-59.5-27.4174.6-1790000112.3I247V244-I247 PolarHBondContact O-N 3.41Å
245R73.6Confident78.4Confident215 Ų21566.9 Ų66.981%0.81137%0.368SS*.Hα-helixtrans-68.9-35.5177-77.3-175.1-91.6-160.1-6.4112S243 I247 K248S243-R245 PolarHBondContact O-N 3.06Å; S243-R245 PolarHBondContact OG-N 3.09Å; R245-I247 VanDerWaalsContact C-N 3.26Å; R245-I247 PolarHBondContact O-N 3.37Å; R245-K248 PolarHBondContact O-N 2.83Å
246D79.2Confident79.8Confident80 Ų8070 Ų7043%0.42838%0.377SS..Hα-helixtrans-67.5-30179.3-56-43.1000111.5I241 S243 K248 G249 L250I241-D246 HydrophobicContact CG2-CB 4.4Å; S243-D246 WeakPolarHBondContact CB-OD2 3.42Å; S243-D246 PolarHBondContact N-OD2 3.39Å; S243-D246 VanDerWaalsContact N-OD2 3.09Å; S243-D246 WeakPolarHBondContact O-CB 3.48Å; S243-D246 PolarHBondContact O-N 2.68Å; S243-D246 VanDerWaalsContact O-N 3.09Å; S243-D246 PolarHBondContact OG-N 3.2Å; S243-D246 PolarHBondContact OG-OD2 2.99Å; D246-K248 PolarHBondContact O-N 2.92Å; D246-G249 PolarHBondContact O-N 3.26Å; D246-L250 WeakPolarHBondContact O-CG 3.26Å; D246-L250 PolarHBondContact O-N 2.87Å
247I83.3Confident80.9Confident0 Ų072 Ų720%038%0.383CS..Hα-helixtrans-63-42.4178.3-53.2177.6000111.5I241 V244 R245 G249 L250 L255 V276 V279 N280 Y283I241-I247 HydrophobicContact CD1-CG1 4.45Å; I241-I247 HydrophobicContact CG2-CD1 4.23Å; I241-I247 HydrophobicContact CG2-CG1 3.61Å; V244-I247 PolarHBondContact O-N 3.41Å; R245-I247 VanDerWaalsContact C-N 3.26Å; R245-I247 PolarHBondContact O-N 3.37Å; I247-G249 PolarHBondContact O-N 2.97Å; I247-L250 PolarHBondContact O-N 2.92Å; I247-L255 HydrophobicContact CG2-CD2 4.19Å; I247-V276 HydrophobicContact CG2-CG1 4.09Å; I247-V279 HydrophobicContact CD1-CG1 4.47Å; I247-V279 HydrophobicContact CG2-CB 3.99Å; I247-V279 HydrophobicContact CG2-CG1 3.67Å; I247-N280 HydrophobicContact CD1-CB 4.22Å; I247-Y283 HydrophobicContact CD1-CD1 4.36Å; I247-Y283 HydrophobicContact CD1-CG 4.07Å
248K84.3Confident81.5Confident147 Ų14770.3 Ų70.364%0.63937%0.372SS*.Hα-helixtrans-63.9-32.2178.5-67.6-175.6178.7-176.20111.8R245 D246 K272 V276R245-K248 PolarHBondContact O-N 2.83Å; D246-K248 PolarHBondContact O-N 2.92Å; K248-K272 PolarHBondContact O-NZ 2.86Å; K248-V276 HydrophobicContact CG-CG1 4.17Å
249G82.2Confident82Confident67 Ų6770.2 Ų70.269%0.69137%0.371SS*.Hα-helixtrans-75.7-15179.300000115.1D246 I247D246-G249 PolarHBondContact O-N 3.26Å; I247-G249 PolarHBondContact O-N 2.97Å
250L85.9Confident82.7Confident27 Ų2768.3 Ų68.314%0.14136%0.361CS..SBendtrans-67.7147.1-179-65.1173.5000112.6I241 D246 I247 Q254 L255 I258 K272I241-L250 HydrophobicContact CD1-CD1 4.21Å; D246-L250 WeakPolarHBondContact O-CG 3.26Å; D246-L250 PolarHBondContact O-N 2.87Å; I247-L250 PolarHBondContact O-N 2.92Å; L250-Q254 HydrophobicContact CB-CB 4.27Å; L250-Q254 HydrophobicContact CD2-CB 4.3Å; L250-L255 HydrophobicContact CB-CD2 3.91Å; L250-L255 HydrophobicContact CB-CG 3.95Å; L250-L255 HydrophobicContact CD1-CD2 3.96Å; L250-I258 HydrophobicContact CD1-CD1 3.49Å; L250-I258 VanDerWaalsContact CD1-CD1 3.49Å; L250-K272 WeakPolarHBondContact O-CE 3.41Å; L250-K272 PolarHBondContact O-NZ 3.42Å; L250-K272 VanDerWaalsContact O-NZ 3.08Å
251S88.3Confident83.1Confident50 Ų5067 Ų6735%0.3535%0.347SS..  trans-70.7155.1170.467.50000111.3R253 Q254 L255S251-R253 PolarHBondContact O-N 3.15Å; S251-R253 VanDerWaalsContact O-N 3.16Å; S251-Q254 PolarHBondContact O-N 3.07Å; S251-Q254 VanDerWaalsContact OG-CD 3.3Å; S251-Q254 VanDerWaalsContact OG-CG 3.31Å; S251-Q254 WeakPolarHBondContact OG-CG 3.34Å; S251-Q254 PolarHBondContact OG-N 3.15Å; S251-Q254 PolarHBondContact OG-OE1 2.89Å; S251-L255 WeakPolarHBondContact O-CG 3.46Å; S251-L255 PolarHBondContact O-N 2.98Å
252V87.3Confident83.3Confident62 Ų6266.9 Ų66.938%0.37635%0.347SS..Hα-helixtrans-54.6-36175.3175.70000111.6K256 K272 L275V252-K256 HydrophobicContact CG1-CD 4.16Å; V252-K256 WeakPolarHBondContact O-CB 3.39Å; V252-K256 WeakPolarHBondContact O-CG 3.28Å; V252-K256 PolarHBondContact O-N 3.46Å; V252-K272 HydrophobicContact CG2-CB 4.25Å; V252-K272 HydrophobicContact CG2-CD 4.32Å; V252-K272 HydrophobicContact CG2-CG 4.12Å; V252-L275 HydrophobicContact CG1-CD1 3.87Å
253R86.8Confident83.9Confident196 Ų19665.4 Ų65.474%0.7433%0.328SS*.Hα-helixtrans-63.3-47.6176.7-166.6177.779.2169.82.9111.2S251 K256 E257S251-R253 PolarHBondContact O-N 3.15Å; S251-R253 VanDerWaalsContact O-N 3.16Å; R253-K256 PolarHBondContact O-N 2.93Å; R253-E257 WeakPolarHBondContact O-CB 3.34Å; R253-E257 PolarHBondContact O-N 2.63Å
254Q88.2Confident84.5Confident72 Ų7263.9 Ų63.934%0.33632%0.317SS..Hα-helixtrans-64.5-42.9178.7-72.1162.8-50.400111.8A236 L250 S251 K256 E257 I258A236-Q254 HydrophobicContact CB-CB 4.22Å; A236-Q254 HydrophobicContact CB-CG 4.29Å; L250-Q254 HydrophobicContact CB-CB 4.27Å; L250-Q254 HydrophobicContact CD2-CB 4.3Å; S251-Q254 PolarHBondContact O-N 3.07Å; S251-Q254 VanDerWaalsContact OG-CD 3.3Å; S251-Q254 VanDerWaalsContact OG-CG 3.31Å; S251-Q254 WeakPolarHBondContact OG-CG 3.34Å; S251-Q254 PolarHBondContact OG-N 3.15Å; S251-Q254 PolarHBondContact OG-OE1 2.89Å; Q254-K256 PolarHBondContact O-N 2.78Å; Q254-E257 WeakPolarHBondContact O-CB 3.27Å; Q254-E257 PolarHBondContact O-N 3.36Å; Q254-I258 WeakPolarHBondContact O-CD1 3.41Å; Q254-I258 VanDerWaalsContact O-CG1 3.28Å; Q254-I258 WeakPolarHBondContact O-CG1 2.86Å; Q254-I258 PolarHBondContact O-N 3.18Å
255L88.4Confident84.9Confident0 Ų064.6 Ų64.60%032%0.318CS..Hα-helixtrans-58.8-48176.5-67.9168.6000111.5I247 L250 S251 E257 I258 L259 K272 L275 V276 V279I247-L255 HydrophobicContact CG2-CD2 4.19Å; L250-L255 HydrophobicContact CB-CD2 3.91Å; L250-L255 HydrophobicContact CB-CG 3.95Å; L250-L255 HydrophobicContact CD1-CD2 3.96Å; S251-L255 WeakPolarHBondContact O-CG 3.46Å; S251-L255 PolarHBondContact O-N 2.98Å; L255-E257 VanDerWaalsContact C-N 3.31Å; L255-E257 PolarHBondContact O-N 3.43Å; L255-I258 PolarHBondContact O-N 3.44Å; L255-L259 WeakPolarHBondContact O-CG 3.44Å; L255-L259 PolarHBondContact O-N 3.38Å; L255-K272 HydrophobicContact CD1-CG 4.03Å; L255-L275 HydrophobicContact CB-CB 4.1Å; L255-L275 HydrophobicContact CD1-CB 4.07Å; L255-V276 HydrophobicContact CD1-CG2 3.66Å; L255-V276 HydrophobicContact CD2-CG2 4.18Å; L255-V279 HydrophobicContact CB-CG2 4.44Å; L255-V279 HydrophobicContact CD2-CB 4.15Å; L255-V279 HydrophobicContact CD2-CG1 4.39Å; L255-V279 HydrophobicContact CD2-CG2 3.83Å
256K87.2Confident85.5Confident83 Ų8358 Ų5836%0.36129%0.294SS..Hα-helixtrans-63.2-38176-71.9179.6179.6-177.40112.1V252 R253 Q254 L259 A260 Y266 L275V252-K256 HydrophobicContact CG1-CD 4.16Å; V252-K256 WeakPolarHBondContact O-CB 3.39Å; V252-K256 WeakPolarHBondContact O-CG 3.28Å; V252-K256 PolarHBondContact O-N 3.46Å; R253-K256 PolarHBondContact O-N 2.93Å; Q254-K256 PolarHBondContact O-N 2.78Å; K256-L259 PolarHBondContact O-N 3.21Å; K256-A260 WeakPolarHBondContact O-CB 3.49Å; K256-A260 PolarHBondContact O-N 3.17Å; K256-Y266 HydrophobicContact CB-CE2 4.24Å; K256-Y266 HydrophobicContact CD-CD2 4.5Å; K256-Y266 HydrophobicContact CD-CE2 4.05Å; K256-Y266 HydrophobicContact CG-CD2 4.14Å; K256-Y266 HydrophobicContact CG-CE2 3.92Å; K256-L275 HydrophobicContact CG-CD1 4.04Å; K256-L275 HydrophobicContact CG-CD2 4.22Å
257E88.5Confident85.6Confident57 Ų5758.1 Ų58.127%0.26630%0.301SS..Hα-helixtrans-61.9-45.6176-128.6-175.9137.300112.1G235 R253 Q254 L255 A260 R261G235-E257 VanDerWaalsContact CA-OE1 3.22Å; G235-E257 WeakPolarHBondContact CA-OE1 3.4Å; R253-E257 WeakPolarHBondContact O-CB 3.34Å; R253-E257 PolarHBondContact O-N 2.63Å; Q254-E257 WeakPolarHBondContact O-CB 3.27Å; Q254-E257 PolarHBondContact O-N 3.36Å; L255-E257 VanDerWaalsContact C-N 3.31Å; L255-E257 PolarHBondContact O-N 3.43Å; E257-A260 PolarHBondContact O-N 3.18Å; E257-R261 WeakPolarHBondContact O-CB 3.4Å; E257-R261 WeakPolarHBondContact O-CG 3.43Å; E257-R261 PolarHBondContact O-N 3.1Å; E257-R261 IonicContact OE1-CZ 3.25Å; E257-R261 IonicContact OE1-NH1 3.38Å; E257-R261 PolarHBondContact OE1-NH1 3.09Å; E257-R261 IonicContact OE1-NH2 2.65Å; E257-R261 PolarHBondContact OE1-NH2 3.25Å; E257-R261 IonicContact OE2-NH1 2.61Å
258I87.9Confident85.6Confident1 Ų161.1 Ų61.11%0.00533%0.332CS..Hα-helixtrans-61.8-47.6178.3-72.6158.5000110.4A236 V238 I241 L250 Q254 L255 R261 N262 V279 L282A236-I258 HydrophobicContact CB-CD1 3.99Å; A236-I258 HydrophobicContact CB-CG1 3.81Å; A236-I258 WeakPolarHBondContact O-CG1 3.47Å; V238-I258 HydrophobicContact CG2-CG2 3.46Å; V238-I258 VanDerWaalsContact CG2-CG2 3.46Å; I241-I258 HydrophobicContact CD1-CD1 3.9Å; L250-I258 HydrophobicContact CD1-CD1 3.49Å; L250-I258 VanDerWaalsContact CD1-CD1 3.49Å; Q254-I258 WeakPolarHBondContact O-CD1 3.41Å; Q254-I258 VanDerWaalsContact O-CG1 3.28Å; Q254-I258 WeakPolarHBondContact O-CG1 2.86Å; Q254-I258 PolarHBondContact O-N 3.18Å; L255-I258 PolarHBondContact O-N 3.44Å; I258-R261 PolarHBondContact O-N 3.41Å; I258-N262 PolarHBondContact O-N 2.61Å; I258-N262 PolarHBondContact O-ND2 2.82Å; I258-V279 HydrophobicContact CB-CG2 4.47Å; I258-V279 HydrophobicContact CG2-CG1 4Å; I258-V279 HydrophobicContact CG2-CG2 4.13Å; I258-L282 HydrophobicContact CG2-CD2 4.28Å
259L88.4Confident85.7Confident0 Ų055.1 Ų55.10%031%0.308CS..Hα-helixtrans-64.9-43.9178.3-65.5172.8000111.5L255 K256 R261 N262 F263 V264 Y266 L275 R278 V279 L282L255-L259 WeakPolarHBondContact O-CG 3.44Å; L255-L259 PolarHBondContact O-N 3.38Å; K256-L259 PolarHBondContact O-N 3.21Å; L259-R261 PolarHBondContact O-N 3.44Å; L259-N262 CarbonylContact O-C 3.44Å; L259-N262 PolarHBondContact O-N 3.16Å; L259-F263 PolarHBondContact O-N 2.96Å; L259-F263 VanDerWaalsContact O-N 3.11Å; L259-V264 HydrophobicContact CB-CB 4.23Å; L259-V264 HydrophobicContact CD2-CB 3.87Å; L259-V264 HydrophobicContact CD2-CG1 3.79Å; L259-V264 HydrophobicContact CD2-CG2 4.37Å; L259-V264 PolarHBondContact O-N 2.78Å; L259-Y266 HydrophobicContact CB-CD1 3.71Å; L259-Y266 HydrophobicContact CB-CE1 4.35Å; L259-Y266 HydrophobicContact CB-CG 4.49Å; L259-Y266 HydrophobicContact CD1-CD1 4.38Å; L259-Y266 HydrophobicContact CD1-CG 4.35Å; L259-L275 HydrophobicContact CD1-CD2 3.72Å; L259-R278 HydrophobicContact CD1-CB 4.12Å; L259-R278 HydrophobicContact CD2-CB 3.9Å; L259-V279 HydrophobicContact CD1-CG2 4.01Å; L259-V279 HydrophobicContact CD2-CB 4.49Å; L259-V279 HydrophobicContact CD2-CG2 3.59Å; L259-V279 HydrophobicContact CG-CG2 3.56Å; L259-L282 HydrophobicContact CD2-CD2 4.46Å
260A85.1Confident85.8Confident47 Ų4757.6 Ų57.639%0.38831%0.313SS..Hα-helixtrans-60.7-45.5177.400000112K256 E257 N262 F263 Y266K256-A260 WeakPolarHBondContact O-CB 3.49Å; K256-A260 PolarHBondContact O-N 3.17Å; E257-A260 PolarHBondContact O-N 3.18Å; A260-N262 PolarHBondContact O-N 2.98Å; A260-F263 PolarHBondContact O-N 2.81Å; A260-F263 VanDerWaalsContact O-N 3.08Å; A260-Y266 HydrophobicContact CB-CE1 4.02Å
261R83.8Confident86Confident84 Ų8461.6 Ų61.632%0.31733%0.332SS..Hα-helixtrans-60.3-28.6177.2-82.9-169.5179.78221113.4G235 A236 E257 I258 L259 K347G235-R261 VanDerWaalsContact O-CZ 3.27Å; G235-R261 PolarHBondContact O-NH1 2.68Å; A236-R261 VanDerWaalsContact N-NH1 3.13Å; A236-R261 PolarHBondContact O-NH1 2.87Å; E257-R261 WeakPolarHBondContact O-CB 3.4Å; E257-R261 WeakPolarHBondContact O-CG 3.43Å; E257-R261 PolarHBondContact O-N 3.1Å; E257-R261 IonicContact OE1-CZ 3.25Å; E257-R261 IonicContact OE1-NH1 3.38Å; E257-R261 PolarHBondContact OE1-NH1 3.09Å; E257-R261 IonicContact OE1-NH2 2.65Å; E257-R261 PolarHBondContact OE1-NH2 3.25Å; E257-R261 IonicContact OE2-NH1 2.61Å; I258-R261 PolarHBondContact O-N 3.41Å; L259-R261 PolarHBondContact O-N 3.44Å; R261-K347 WeakPolarHBondContact O-CE 3.4Å; R261-K347 PolarHBondContact O-NZ 2.69Å
262N84.8Confident86Confident12 Ų1263.6 Ų63.66%0.06433%0.334CS..THydrogen-bonded Turntrans-102.314.6-180-66.3-78.7000112.4V238 I258 L259 A260 V264 L282 T343 H364V238-N262 WeakPolarHBondContact CG2-ND2 2.95Å; I258-N262 PolarHBondContact O-N 2.61Å; I258-N262 PolarHBondContact O-ND2 2.82Å; L259-N262 CarbonylContact O-C 3.44Å; L259-N262 PolarHBondContact O-N 3.16Å; A260-N262 PolarHBondContact O-N 2.98Å; N262-V264 HydrophobicContact CB-CG2 4.29Å; N262-V264 PolarHBondContact O-N 3Å; N262-L282 HydrophobicContact CB-CD1 4.15Å; N262-L282 HydrophobicContact CB-CD2 3.64Å; N262-T343 WeakPolarHBondContact O-CG2 3.41Å; N262-H364 VanDerWaalsContact O-CB 3.27Å; N262-H364 WeakPolarHBondContact O-CB 3.3Å
263F82.2Confident86.1Confident72 Ų7267.3 Ų67.332%0.31634%0.341SS..THydrogen-bonded Turntrans54.129.5176.9-63.5-99.1000113.1L259 A260 T343 K347 A362 H364L259-F263 PolarHBondContact O-N 2.96Å; L259-F263 VanDerWaalsContact O-N 3.11Å; A260-F263 PolarHBondContact O-N 2.81Å; A260-F263 VanDerWaalsContact O-N 3.08Å; F263-T343 HydrophobicContact CD2-CG2 4.27Å; F263-K347 HydrophobicContact CD2-CD 4.01Å; F263-K347 HydrophobicContact CD2-CG 3.86Å; F263-K347 HydrophobicContact CE2-CB 3.7Å; F263-K347 HydrophobicContact CE2-CD 3.41Å; F263-K347 VanDerWaalsContact CE2-CD 3.41Å; F263-K347 HydrophobicContact CE2-CG 3.26Å; F263-K347 HydrophobicContact CZ-CB 3.88Å; F263-K347 HydrophobicContact CZ-CD 4.39Å; F263-K347 HydrophobicContact CZ-CG 3.96Å; F263-A362 WeakPolarHBondContact CB-O 3.22Å; F263-A362 HydrophobicContact CD1-CB 4.31Å; F263-A362 VanDerWaalsContact CD1-O 3.29Å; F263-A362 WeakPolarHBondContact CD1-O 3.29Å; F263-H364 PolarHBondContact O-N 2.76Å
264V84.9Confident86.3Confident6 Ų659.9 Ų59.94%0.03632%0.315CS..  trans-86.2122.1171.91790000107.3L259 N262 Y266 L282 H364 F366L259-V264 HydrophobicContact CB-CB 4.23Å; L259-V264 HydrophobicContact CD2-CB 3.87Å; L259-V264 HydrophobicContact CD2-CG1 3.79Å; L259-V264 HydrophobicContact CD2-CG2 4.37Å; L259-V264 PolarHBondContact O-N 2.78Å; N262-V264 HydrophobicContact CB-CG2 4.29Å; N262-V264 PolarHBondContact O-N 3Å; V264-Y266 PolarHBondContact O-N 3.43Å; V264-L282 HydrophobicContact CG2-CD1 4.07Å; V264-L282 HydrophobicContact CG2-CD2 4.18Å; V264-H364 HydrophobicContact CG2-CB 3.91Å; V264-F366 HydrophobicContact CG1-CE2 3.92Å; V264-F366 HydrophobicContact CG1-CZ 3.8Å; V264-F366 HydrophobicContact CG2-CE2 4.41Å; V264-F366 HydrophobicContact CG2-CZ 3.9Å
265N82.5Confident86.3Confident79 Ų7956.6 Ų56.642%0.42230%0.3SS..  trans-70.2127.4175.9-17223.6000110.6S267N265-S267 VanDerWaalsContact CG-OG 3.31Å; N265-S267 PolarHBondContact ND2-OG 3.42Å; N265-S267 WeakPolarHBondContact OD1-CB 3.49Å; N265-S267 PolarHBondContact OD1-N 3.49Å; N265-S267 PolarHBondContact OD1-OG 3.15Å; N265-S267 VanDerWaalsContact OD1-OG 3.07Å
266Y85.5Confident86.4Confident77 Ų7757.6 Ų57.630%0.30231%0.306SS..  trans-120.113.417560.1-94.1000112.4K256 L259 A260 V264 G268 C269 L275K256-Y266 HydrophobicContact CB-CE2 4.24Å; K256-Y266 HydrophobicContact CD-CD2 4.5Å; K256-Y266 HydrophobicContact CD-CE2 4.05Å; K256-Y266 HydrophobicContact CG-CD2 4.14Å; K256-Y266 HydrophobicContact CG-CE2 3.92Å; L259-Y266 HydrophobicContact CB-CD1 3.71Å; L259-Y266 HydrophobicContact CB-CE1 4.35Å; L259-Y266 HydrophobicContact CB-CG 4.49Å; L259-Y266 HydrophobicContact CD1-CD1 4.38Å; L259-Y266 HydrophobicContact CD1-CG 4.35Å; A260-Y266 HydrophobicContact CB-CE1 4.02Å; V264-Y266 PolarHBondContact O-N 3.43Å; Y266-G268 PolarHBondContact O-N 3.36Å; Y266-C269 PolarHBondContact O-N 3.19Å; Y266-C269 VanDerWaalsContact O-N 3.14Å; Y266-C269 PolarHBondContact O-SG 3.07Å; Y266-L275 HydrophobicContact CD2-CD2 4.44Å; Y266-L275 HydrophobicContact CG-CD2 4.35Å
267S82.1Confident86.4Confident81 Ų8158.3 Ų58.357%0.56631%0.31SS*.THydrogen-bonded Turntrans-57.9129.1169.767.30000109.8N265N265-S267 VanDerWaalsContact CG-OG 3.31Å; N265-S267 PolarHBondContact ND2-OG 3.42Å; N265-S267 WeakPolarHBondContact OD1-CB 3.49Å; N265-S267 PolarHBondContact OD1-N 3.49Å; N265-S267 PolarHBondContact OD1-OG 3.15Å; N265-S267 VanDerWaalsContact OD1-OG 3.07Å
268G83.3Confident86.4Confident63 Ų6358.4 Ų58.465%0.64931%0.308SS*.THydrogen-bonded Turntrans903.1-177.500000114.9Y266 C270Y266-G268 PolarHBondContact O-N 3.36Å; G268-C270 PolarHBondContact O-N 2.92Å
269C87.3Confident86.6Confident22 Ų2258.4 Ų58.415%0.14931%0.308CS..  trans-77.7109.5166.3-53.40000109.3Y266 E274 L275 R278Y266-C269 PolarHBondContact O-N 3.19Å; Y266-C269 VanDerWaalsContact O-N 3.14Å; Y266-C269 PolarHBondContact O-SG 3.07Å; C269-E274 VanDerWaalsContact C-OE2 3.27Å; C269-E274 WeakPolarHBondContact CA-OE2 3.47Å; C269-E274 HydrophobicContact CB-CB 4.21Å; C269-L275 HydrophobicContact CB-CD2 3.65Å; C269-L275 HydrophobicContact CB-CG 3.93Å; C269-R278 PolarHBondContact SG-NH1 3.25Å
270C84.4Confident86.6Confident118 Ų11860.5 Ų60.580%0.79732%0.319SS*.  trans-87.1-31.4177.7-660000111.4G268 E274G268-C270 PolarHBondContact O-N 2.92Å; C270-E274 PolarHBondContact N-OE2 2.9Å
271E89Confident86.8Confident112 Ų11263.4 Ų63.452%0.52332%0.32SS..SBendtrans-119.9154.4-170.1-59.6-169.513200113W273 E274E271-W273 VanDerWaalsContact C-N 3.26Å; E271-W273 VanDerWaalsContact CB-CD1 3.41Å; E271-W273 HydrophobicContact CB-CG 4.41Å; E271-W273 PolarHBondContact O-N 3.34Å; E271-W273 VanDerWaalsContact OE2-CD1 3.31Å; E271-W273 PolarHBondContact OE2-NE1 2.99Å; E271-E274 HydrophobicContact CB-CG 4.42Å; E271-E274 PolarHBondContact N-OE2 3.21Å; E271-E274 VanDerWaalsContact N-OE2 3.08Å; E271-E274 PolarHBondContact O-N 3.48Å
272K88.4Confident87Confident92 Ų9259.5 Ų59.540%0.431%0.306SS..Hα-helixtrans-61.1-36.9-179179.1-179168.5-174.20111.3K248 L250 V252 L255 E274 L275 V276K248-K272 PolarHBondContact O-NZ 2.86Å; L250-K272 WeakPolarHBondContact O-CE 3.41Å; L250-K272 PolarHBondContact O-NZ 3.42Å; L250-K272 VanDerWaalsContact O-NZ 3.08Å; V252-K272 HydrophobicContact CG2-CB 4.25Å; V252-K272 HydrophobicContact CG2-CD 4.32Å; V252-K272 HydrophobicContact CG2-CG 4.12Å; L255-K272 HydrophobicContact CD1-CG 4.03Å; K272-E274 VanDerWaalsContact C-N 3.33Å; K272-E274 PolarHBondContact O-N 3.27Å; K272-L275 WeakPolarHBondContact O-CB 3.5Å; K272-L275 PolarHBondContact O-N 3.41Å; K272-V276 HydrophobicContact CG-CG2 4.27Å; K272-V276 WeakPolarHBondContact O-CG2 3.34Å; K272-V276 PolarHBondContact O-N 3.45Å
273W89.8Confident87.1Confident139 Ų13960.6 Ų60.653%0.52731%0.309SS..Hα-helixtrans-64.1-37.3-177.475-95.8000111.9E271 L275 V276 E277E271-W273 VanDerWaalsContact C-N 3.26Å; E271-W273 VanDerWaalsContact CB-CD1 3.41Å; E271-W273 HydrophobicContact CB-CG 4.41Å; E271-W273 PolarHBondContact O-N 3.34Å; E271-W273 VanDerWaalsContact OE2-CD1 3.31Å; E271-W273 PolarHBondContact OE2-NE1 2.99Å; W273-L275 VanDerWaalsContact C-N 3.27Å; W273-L275 PolarHBondContact O-N 2.96Å; W273-V276 CarbonylContact O-C 3.54Å; W273-V276 WeakPolarHBondContact O-CA 3.22Å; W273-V276 WeakPolarHBondContact O-CB 3.27Å; W273-V276 PolarHBondContact O-N 3.14Å; W273-V276 VanDerWaalsContact O-N 3.1Å; W273-E277 VanDerWaalsContact CZ3-OE2 3.27Å; W273-E277 WeakPolarHBondContact CZ3-OE2 3.28Å; W273-E277 WeakPolarHBondContact O-CB 3.33Å; W273-E277 PolarHBondContact O-N 3.02Å
274E89.8Confident87.3Confident40 Ų4063 Ų6319%0.18732%0.316CS..Hα-helixtrans-64.9-32.4178.2-61.7179131.900112.6C269 C270 E271 K272 R278C269-E274 VanDerWaalsContact C-OE2 3.27Å; C269-E274 WeakPolarHBondContact CA-OE2 3.47Å; C269-E274 HydrophobicContact CB-CB 4.21Å; C270-E274 PolarHBondContact N-OE2 2.9Å; E271-E274 HydrophobicContact CB-CG 4.42Å; E271-E274 PolarHBondContact N-OE2 3.21Å; E271-E274 VanDerWaalsContact N-OE2 3.08Å; E271-E274 PolarHBondContact O-N 3.48Å; K272-E274 VanDerWaalsContact C-N 3.33Å; K272-E274 PolarHBondContact O-N 3.27Å; E274-R278 WeakPolarHBondContact O-CG 3.26Å; E274-R278 PolarHBondContact O-N 3.15Å; E274-R278 PolarHBondContact O-NH1 3.34Å
275L89Confident87.1Confident4 Ų464.1 Ų64.12%0.02132%0.321CS..Hα-helixtrans-72.7-43.2172.7-65.7171.2000110.7V252 L255 K256 L259 Y266 C269 K272 W273 E277 R278 V279V252-L275 HydrophobicContact CG1-CD1 3.87Å; L255-L275 HydrophobicContact CB-CB 4.1Å; L255-L275 HydrophobicContact CD1-CB 4.07Å; K256-L275 HydrophobicContact CG-CD1 4.04Å; K256-L275 HydrophobicContact CG-CD2 4.22Å; L259-L275 HydrophobicContact CD1-CD2 3.72Å; Y266-L275 HydrophobicContact CD2-CD2 4.44Å; Y266-L275 HydrophobicContact CG-CD2 4.35Å; C269-L275 HydrophobicContact CB-CD2 3.65Å; C269-L275 HydrophobicContact CB-CG 3.93Å; K272-L275 WeakPolarHBondContact O-CB 3.5Å; K272-L275 PolarHBondContact O-N 3.41Å; W273-L275 VanDerWaalsContact C-N 3.27Å; W273-L275 PolarHBondContact O-N 2.96Å; L275-E277 VanDerWaalsContact C-N 3.32Å; L275-E277 PolarHBondContact O-N 3.06Å; L275-R278 PolarHBondContact O-N 3.35Å; L275-V279 VanDerWaalsContact O-CG2 3.3Å; L275-V279 WeakPolarHBondContact O-CG2 3.1Å; L275-V279 PolarHBondContact O-N 3.44Å
276V89.8Confident87Confident20 Ų2063.3 Ų63.312%0.12131%0.314CS..Hα-helixtrans-59.5-45175.8167.50000110.4I247 K248 L255 K272 W273 V279 N280I247-V276 HydrophobicContact CG2-CG1 4.09Å; K248-V276 HydrophobicContact CG-CG1 4.17Å; L255-V276 HydrophobicContact CD1-CG2 3.66Å; L255-V276 HydrophobicContact CD2-CG2 4.18Å; K272-V276 HydrophobicContact CG-CG2 4.27Å; K272-V276 WeakPolarHBondContact O-CG2 3.34Å; K272-V276 PolarHBondContact O-N 3.45Å; W273-V276 CarbonylContact O-C 3.54Å; W273-V276 WeakPolarHBondContact O-CA 3.22Å; W273-V276 WeakPolarHBondContact O-CB 3.27Å; W273-V276 PolarHBondContact O-N 3.14Å; W273-V276 VanDerWaalsContact O-N 3.1Å; V276-V279 PolarHBondContact O-N 3.26Å; V276-N280 VanDerWaalsContact O-CB 3.25Å; V276-N280 WeakPolarHBondContact O-CB 3.48Å; V276-N280 PolarHBondContact O-N 3Å
277E88.6Confident86.8Confident98 Ų9864 Ų6446%0.45832%0.32SS..Hα-helixtrans-61.4-48.6178.3-173.4-172.9-16400111.5W273 L275 V279 N280 R281W273-E277 VanDerWaalsContact CZ3-OE2 3.27Å; W273-E277 WeakPolarHBondContact CZ3-OE2 3.28Å; W273-E277 WeakPolarHBondContact O-CB 3.33Å; W273-E277 PolarHBondContact O-N 3.02Å; L275-E277 VanDerWaalsContact C-N 3.32Å; L275-E277 PolarHBondContact O-N 3.06Å; E277-V279 VanDerWaalsContact C-N 3.32Å; E277-V279 PolarHBondContact O-N 3.11Å; E277-N280 PolarHBondContact O-N 2.88Å; E277-R281 WeakPolarHBondContact O-CB 3.33Å; E277-R281 PolarHBondContact O-N 3.22Å
278R88.5Confident86.4Confident60 Ų6065.7 Ų65.723%0.22632%0.317CS..Hα-helixtrans-60.7-39.7176.4-76.8179.2175.578-5.1112.6L259 C269 E274 L275 L282L259-R278 HydrophobicContact CD1-CB 4.12Å; L259-R278 HydrophobicContact CD2-CB 3.9Å; C269-R278 PolarHBondContact SG-NH1 3.25Å; E274-R278 WeakPolarHBondContact O-CG 3.26Å; E274-R278 PolarHBondContact O-N 3.15Å; E274-R278 PolarHBondContact O-NH1 3.34Å; L275-R278 PolarHBondContact O-N 3.35Å; R278-L282 WeakPolarHBondContact O-CB 3.35Å; R278-L282 PolarHBondContact O-N 2.93Å; R278-L282 VanDerWaalsContact O-N 3.08Å
279V90.6Very high86Confident0 Ų063.8 Ų63.80%029%0.292CS..Hα-helixtrans-69.4-39176174.30000111.1I241 I247 L255 I258 L259 L275 V276 E277 L282 Y283I241-V279 HydrophobicContact CD1-CG1 4.21Å; I247-V279 HydrophobicContact CD1-CG1 4.47Å; I247-V279 HydrophobicContact CG2-CB 3.99Å; I247-V279 HydrophobicContact CG2-CG1 3.67Å; L255-V279 HydrophobicContact CB-CG2 4.44Å; L255-V279 HydrophobicContact CD2-CB 4.15Å; L255-V279 HydrophobicContact CD2-CG1 4.39Å; L255-V279 HydrophobicContact CD2-CG2 3.83Å; I258-V279 HydrophobicContact CB-CG2 4.47Å; I258-V279 HydrophobicContact CG2-CG1 4Å; I258-V279 HydrophobicContact CG2-CG2 4.13Å; L259-V279 HydrophobicContact CD1-CG2 4.01Å; L259-V279 HydrophobicContact CD2-CB 4.49Å; L259-V279 HydrophobicContact CD2-CG2 3.59Å; L259-V279 HydrophobicContact CG-CG2 3.56Å; L275-V279 VanDerWaalsContact O-CG2 3.3Å; L275-V279 WeakPolarHBondContact O-CG2 3.1Å; L275-V279 PolarHBondContact O-N 3.44Å; V276-V279 PolarHBondContact O-N 3.26Å; E277-V279 VanDerWaalsContact C-N 3.32Å; E277-V279 PolarHBondContact O-N 3.11Å; V279-L282 WeakPolarHBondContact O-CB 3.33Å; V279-L282 PolarHBondContact O-N 3.49Å; V279-Y283 WeakPolarHBondContact O-CB 3.44Å; V279-Y283 PolarHBondContact O-N 3.26Å
280N89.5Confident85.4Confident44 Ų4465.6 Ų65.624%0.23530%0.302CS..Hα-helixtrans-64.9-41.2177.4-166.413.3000111.5I247 V276 E277 Y283 R284I247-N280 HydrophobicContact CD1-CB 4.22Å; V276-N280 VanDerWaalsContact O-CB 3.25Å; V276-N280 WeakPolarHBondContact O-CB 3.48Å; V276-N280 PolarHBondContact O-N 3Å; E277-N280 PolarHBondContact O-N 2.88Å; N280-Y283 PolarHBondContact O-N 3Å; N280-R284 PolarHBondContact O-N 3.23Å
281R88.5Confident84.6Confident109 Ų10964.7 Ų64.741%0.41129%0.289SS..Hα-helixtrans-61.4-46.6173.5-168.2171.564-157.61.7111.7E277 Y283 R284 E285 F366E277-R281 WeakPolarHBondContact O-CB 3.33Å; E277-R281 PolarHBondContact O-N 3.22Å; R281-Y283 VanDerWaalsContact C-N 3.33Å; R281-Y283 PolarHBondContact O-N 3.22Å; R281-R284 PolarHBondContact O-N 2.98Å; R281-E285 WeakPolarHBondContact O-CB 3.01Å; R281-E285 PolarHBondContact O-N 3.31Å; R281-F366 HydrophobicContact CB-CD1 4.36Å; R281-F366 HydrophobicContact CB-CE1 4.11Å; R281-F366 HydrophobicContact CG-CD1 3.59Å; R281-F366 HydrophobicContact CG-CE1 3.84Å; R281-F366 HydrophobicContact CG-CG 4.38Å; R281-F366 VanDerWaalsContact NE-CD1 3.28Å; R281-F366 VanDerWaalsContact NH2-CE2 3.27Å
282L87.9Confident83.5Confident2 Ų263.3 Ų63.31%0.0129%0.289CS..Hα-helixtrans-60-41.9175.6178.367.6000112.1V238 I258 L259 N262 V264 R278 V279 K286 F366V238-L282 HydrophobicContact CG2-CD2 3.6Å; V238-L282 HydrophobicContact CG2-CG 4.17Å; I258-L282 HydrophobicContact CG2-CD2 4.28Å; L259-L282 HydrophobicContact CD2-CD2 4.46Å; N262-L282 HydrophobicContact CB-CD1 4.15Å; N262-L282 HydrophobicContact CB-CD2 3.64Å; V264-L282 HydrophobicContact CG2-CD1 4.07Å; V264-L282 HydrophobicContact CG2-CD2 4.18Å; R278-L282 WeakPolarHBondContact O-CB 3.35Å; R278-L282 PolarHBondContact O-N 2.93Å; R278-L282 VanDerWaalsContact O-N 3.08Å; V279-L282 WeakPolarHBondContact O-CB 3.33Å; V279-L282 PolarHBondContact O-N 3.49Å; L282-K286 WeakPolarHBondContact O-CB 3.45Å; L282-K286 PolarHBondContact O-N 3.1Å; L282-F366 HydrophobicContact CB-CE1 4.14Å
283Y87.4Confident82.4Confident35 Ų3562.6 Ų62.614%0.13729%0.289CS..Hα-helixtrans-62.8-51.2178.5179.9-95.6000111.9V238 I241 S242 I247 V279 N280 R281 E285 K286 E287V238-Y283 HydrophobicContact CG1-CD2 4.12Å; I241-Y283 HydrophobicContact CB-CD2 4.15Å; I241-Y283 HydrophobicContact CB-CE2 4.07Å; I241-Y283 HydrophobicContact CG2-CD2 4.02Å; I241-Y283 HydrophobicContact CG2-CE2 3.96Å; I241-Y283 VanDerWaalsContact O-CE2 3.26Å; I241-Y283 WeakPolarHBondContact O-CE2 3.49Å; S242-Y283 PolarHBondContact O-OH 3.14Å; I247-Y283 HydrophobicContact CD1-CD1 4.36Å; I247-Y283 HydrophobicContact CD1-CG 4.07Å; V279-Y283 WeakPolarHBondContact O-CB 3.44Å; V279-Y283 PolarHBondContact O-N 3.26Å; N280-Y283 PolarHBondContact O-N 3Å; R281-Y283 VanDerWaalsContact C-N 3.33Å; R281-Y283 PolarHBondContact O-N 3.22Å; Y283-E285 VanDerWaalsContact C-N 3.33Å; Y283-E285 PolarHBondContact O-N 2.88Å; Y283-K286 PolarHBondContact O-N 3.34Å; Y283-E287 PolarHBondContact O-N 3.08Å
284R85.8Confident81Confident123 Ų12363.2 Ų63.246%0.46430%0.299SS..Hα-helixtrans-60.2-40.7178.1-77.6-178.764.2-121.78.7112.7N280 R281 E287 K288N280-R284 PolarHBondContact O-N 3.23Å; R281-R284 PolarHBondContact O-N 2.98Å; R284-E287 PolarHBondContact O-N 2.9Å; R284-K288 WeakPolarHBondContact O-CG 3.4Å; R284-K288 PolarHBondContact O-N 3.46Å
285E81.4Confident79.5Confident29 Ų2964.4 Ų64.414%0.13632%0.317CS..Hα-helixtrans-67.5-39179.1-171169.3-164.900111.7R281 Y283 K288 N289 H364 F366 K367R281-E285 WeakPolarHBondContact O-CB 3.01Å; R281-E285 PolarHBondContact O-N 3.31Å; Y283-E285 VanDerWaalsContact C-N 3.33Å; Y283-E285 PolarHBondContact O-N 2.88Å; E285-K288 PolarHBondContact O-N 3.01Å; E285-N289 WeakPolarHBondContact O-CB 3.38Å; E285-N289 PolarHBondContact O-N 3.18Å; E285-H364 IonicContact OE2-CE1 2.74Å; E285-H364 PolarHBondContact OE2-CE1 2.76Å; E285-H364 VanDerWaalsContact OE2-CE1 3.28Å; E285-F366 WeakPolarHBondContact OE2-CA 3.36Å; E285-F366 WeakPolarHBondContact OE2-CD1 3.49Å; E285-K367 PolarHBondContact OE1-N 3.14Å
286K81.2Confident77.5Confident62 Ų6270.4 Ų70.427%0.2734%0.343SS..Hα-helixtrans-63.2-42174.3-167.7171.8-173.9167.80111.9V238 S239 L282 Y283 N289 T290V238-K286 HydrophobicContact CB-CD 4.24Å; V238-K286 HydrophobicContact CG1-CD 3.7Å; S239-K286 PolarHBondContact OG-NZ 3.2Å; L282-K286 WeakPolarHBondContact O-CB 3.45Å; L282-K286 PolarHBondContact O-N 3.1Å; Y283-K286 PolarHBondContact O-N 3.34Å; K286-N289 WeakPolarHBondContact O-CB 3.24Å; K286-N289 PolarHBondContact O-N 3.1Å; K286-T290 PolarHBondContact O-N 2.84Å; K286-T290 PolarHBondContact O-OG1 3.23Å
287E79.9Confident75.4Confident92 Ų9275 Ų7543%0.4337%0.373SS..Hα-helixtrans-63.2-44.2176.5-174.8177.5-14500112Y283 R284 T290 N291Y283-E287 PolarHBondContact O-N 3.08Å; R284-E287 PolarHBondContact O-N 2.9Å; E287-T290 WeakPolarHBondContact CA-OG1 3.49Å; E287-T290 PolarHBondContact O-N 3.24Å; E287-T290 PolarHBondContact O-OG1 3.33Å; E287-N291 WeakPolarHBondContact O-CB 3.41Å; E287-N291 PolarHBondContact O-N 3.46Å
288K74.7Confident73.3Confident115 Ų11575.9 Ų75.950%0.539%0.39SS..Hα-helixtrans-59.6-47.5173.8-73.2176.6-178.5-1760111.3R284 E285 T290 N291 T292R284-K288 WeakPolarHBondContact O-CG 3.4Å; R284-K288 PolarHBondContact O-N 3.46Å; E285-K288 PolarHBondContact O-N 3.01Å; K288-T290 VanDerWaalsContact C-N 3.35Å; K288-T290 PolarHBondContact O-N 3.05Å; K288-N291 PolarHBondContact O-N 2.79Å; K288-T292 WeakPolarHBondContact O-CB 3.3Å; K288-T292 PolarHBondContact O-N 3.13Å; K288-T292 PolarHBondContact O-OG1 3.38Å
289N74.7Confident71.3Confident24 Ų2478.7 Ų78.713%0.12842%0.416CS..Hα-helixtrans-57.9-45.5177.8-179.117.6000111.7E285 K286 L293 V328E285-N289 WeakPolarHBondContact O-CB 3.38Å; E285-N289 PolarHBondContact O-N 3.18Å; K286-N289 WeakPolarHBondContact O-CB 3.24Å; K286-N289 PolarHBondContact O-N 3.1Å; N289-L293 PolarHBondContact O-N 3.21Å; N289-L293 VanDerWaalsContact O-N 3.17Å; N289-V328 HydrophobicContact CB-CG2 4.08Å; N289-V328 WeakPolarHBondContact ND2-CG2 3.19Å; N289-V328 WeakPolarHBondContact OD1-CB 3.49Å; N289-V328 WeakPolarHBondContact OD1-CG1 3.26Å; N289-V328 WeakPolarHBondContact OD1-CG2 3Å; N289-V328 PolarHBondContact OD1-N 3.26Å
290T73.8Confident69.1Low59 Ų5986.1 Ų86.136%0.36246%0.455SS..Hα-helixtrans-66.9-41.2176.145.50000113K286 E287 K288 L293 M294K286-T290 PolarHBondContact O-N 2.84Å; K286-T290 PolarHBondContact O-OG1 3.23Å; E287-T290 WeakPolarHBondContact CA-OG1 3.49Å; E287-T290 PolarHBondContact O-N 3.24Å; E287-T290 PolarHBondContact O-OG1 3.33Å; K288-T290 VanDerWaalsContact C-N 3.35Å; K288-T290 PolarHBondContact O-N 3.05Å; T290-L293 PolarHBondContact O-N 3.43Å; T290-M294 WeakPolarHBondContact O-CB 3.2Å; T290-M294 WeakPolarHBondContact O-CG 3.44Å; T290-M294 PolarHBondContact O-N 3.46Å
291N69.3Low66.9Low99 Ų9989.9 Ų89.953%0.52948%0.483SS..Hα-helixtrans-68-39178.4-82.5-10000112E287 K288 L293 M294 A295E287-N291 WeakPolarHBondContact O-CB 3.41Å; E287-N291 PolarHBondContact O-N 3.46Å; K288-N291 PolarHBondContact O-N 2.79Å; N291-L293 VanDerWaalsContact C-N 3.26Å; N291-L293 PolarHBondContact O-N 2.61Å; N291-M294 PolarHBondContact O-N 3.21Å; N291-A295 VanDerWaalsContact O-CB 3.28Å; N291-A295 WeakPolarHBondContact O-CB 3.15Å; N291-A295 PolarHBondContact O-N 3.2Å
292T65.8Low64.6Low84 Ų8491.9 Ų91.952%0.51550%0.502SS..Hα-helixtrans-60.2-38.5173.5-61.10000111.4K288K288-T292 WeakPolarHBondContact O-CB 3.3Å; K288-T292 PolarHBondContact O-N 3.13Å; K288-T292 PolarHBondContact O-OG1 3.38Å
293L64.2Low62.7Low77 Ų7795.7 Ų95.740%0.40354%0.542SS..Hα-helixtrans-75.7-34.2178.1-165.970.3000113N289 T290 N291 L320 D326N289-L293 PolarHBondContact O-N 3.21Å; N289-L293 VanDerWaalsContact O-N 3.17Å; T290-L293 PolarHBondContact O-N 3.43Å; N291-L293 VanDerWaalsContact C-N 3.26Å; N291-L293 PolarHBondContact O-N 2.61Å; L293-L320 HydrophobicContact CD1-CD2 3.9Å; L293-D326 WeakPolarHBondContact CD2-O 3.28Å
294M60.9Low60.3Low151 Ų15198.8 Ų98.874%0.74458%0.575SS**Hα-helixtrans-84.3-17.1-179.9-70.4-165-175.700114.5T290 N291 F296T290-M294 WeakPolarHBondContact O-CB 3.2Å; T290-M294 WeakPolarHBondContact O-CG 3.44Å; T290-M294 PolarHBondContact O-N 3.46Å; N291-M294 PolarHBondContact O-N 3.21Å; M294-F296 PolarHBondContact O-N 3.19Å
295A57.8Low58.9Low66 Ų66101.7 Ų101.755%0.54560%0.597SS.*THydrogen-bonded Turntrans-66.4-4.6178.300000114.2N291N291-A295 VanDerWaalsContact O-CB 3.28Å; N291-A295 WeakPolarHBondContact O-CB 3.15Å; N291-A295 PolarHBondContact O-N 3.2Å
296F46.6Very low57.2Low130 Ų130103.6 Ų103.657%0.5763%0.625SS**  trans-135.796.9175.9-62.7-77.6000111.4M294 S298M294-F296 PolarHBondContact O-N 3.19Å; F296-S298 PolarHBondContact O-N 3.02Å
297P46.6Very low55.4Low117 Ų117108.6 Ų108.676%0.7666%0.655SS**PPolyproline II helixtrans-67.7116162-2.518.2000107.2P299P297-P299 WeakPolarHBondContact O-CD 3.31Å
298S43.6Very low54.1Low115 Ų115107.7 Ų107.780%0.80467%0.67SS**PPolyproline II helixtrans-52.7123.3168.9-610000109.6F296 L300F296-S298 PolarHBondContact O-N 3.02Å; S298-L300 PolarHBondContact O-N 2.99Å
299P47.7Very low52.6Low120 Ų120110.8 Ų110.878%0.77969%0.686SS**PPolyproline II helixtrans-71.9128.4160.2-118.5000106.8P297 C301P297-P299 WeakPolarHBondContact O-CD 3.31Å; P299-C301 PolarHBondContact O-N 2.84Å
300L43.1Very low51.2Low155 Ų155119.8 Ų119.881%0.81272%0.724SS**  trans-31.2125.6162.4-103.862000111.3S298 N302S298-L300 PolarHBondContact O-N 2.99Å; L300-N302 PolarHBondContact O-N 3.36Å
301C43.4Very low49.7Very low123 Ų123120.8 Ų120.883%0.83173%0.733SS**  trans-55.6105.2162.550.70000109.6P299P299-C301 PolarHBondContact O-N 2.84Å
302N41.9Very low48.4Very low151 Ų151121.4 Ų121.481%0.80774%0.742SS**  trans-111.6121152.8-911.8000107.1L300L300-N302 PolarHBondContact O-N 3.36Å
303G47.8Very low47.2Very low83 Ų83123.2 Ų123.286%0.85675%0.748SS**  trans-61.8144.1-170.900000114
304A37Very low46.3Very low100 Ų100124.4 Ų124.483%0.82676%0.759SS**  trans-153.9124.7148.300000108.5
305I55.1Low45.7Very low183 Ų183123.4 Ų123.494%0.93876%0.756SS**  trans-63.8125.7168.7-64.7178.9000107.5
306G45.3Very low45.4Very low70 Ų70125.1 Ų125.172%0.72275%0.752SS**  trans-17898.8176.700000113.4
307D45Very low46.1Very low167 Ų167123.6 Ų123.689%0.89375%0.75SS**  trans13.2117.3155.6-130.8-90.2000119.9E309D307-E309 PolarHBondContact O-N 3.11Å
308G51.4Low47.3Very low72 Ų72122.2 Ų122.274%0.74274%0.737SS**  86.59.7116.600000120.5
309E44.3Very low49.1Very low181 Ų181120.8 Ų120.885%0.84672%0.72SS**  trans-123.2114.2168.2-71.3-171.2129.100110.3D307 C311D307-E309 PolarHBondContact O-N 3.11Å; E309-C311 PolarHBondContact O-N 3.46Å
310K44.9Very low51.1Low212 Ų212116.4 Ų116.492%0.92269%0.69SS**  trans-62.499177.4-74.7179.5178.7-178.50109
311C42.6Very low53.3Low81 Ų81109.1 Ų109.155%0.54765%0.651SS.*  trans-50.9131.2166.9-75.20000109.6E309 L313E309-C311 PolarHBondContact O-N 3.46Å; C311-L313 HydrophobicContact CB-CB 4.36Å; C311-L313 HydrophobicContact CB-CD1 4.23Å; C311-L313 HydrophobicContact CB-CG 4.15Å; C311-L313 PolarHBondContact O-N 3.45Å
312P40.6Very low55.5Low111 Ų111109.2 Ų109.272%0.72163%0.634SS**G310 helixtrans-62.4-1.3175.3-21.732.5000114.9T314 L315P312-T314 PolarHBondContact O-N 2.93Å; P312-T314 VanDerWaalsContact O-N 3.1Å; P312-L315 PolarHBondContact O-N 3.36Å
313L42.6Very low57.8Low122 Ų122106.4 Ų106.464%0.63962%0.619SS**G310 helixtrans-65.4-11.1-174.5-61.9177.1000114.5C311C311-L313 HydrophobicContact CB-CB 4.36Å; C311-L313 HydrophobicContact CB-CD1 4.23Å; C311-L313 HydrophobicContact CB-CG 4.15Å; C311-L313 PolarHBondContact O-N 3.45Å
314T44.6Very low59.8Low102 Ų102104 Ų10463%0.62659%0.589SS**G310 helixtrans-91.9-8.1-175.749.80000114.6P312P312-T314 PolarHBondContact O-N 2.93Å; P312-T314 VanDerWaalsContact O-N 3.1Å
315L48.6Very low62.2Low130 Ų130105.5 Ų105.568%0.68158%0.58SS**SBendtrans-90.4-13.4-178.2-73.8169.1000114.3P312P312-L315 PolarHBondContact O-N 3.36Å
316Q51.4Low63.5Low102 Ų102102.6 Ų102.648%0.47757%0.566SS.*SBendtrans-92.5-28.6-179.1-83.4171.1-18.200113.4D318 N319Q316-D318 PolarHBondContact O-N 2.8Å; Q316-N319 PolarHBondContact O-N 3.01Å
317D60.3Low65.4Low98 Ų98100.2 Ų100.252%0.52454%0.54SS..G310 helixtrans-64.9-24177.2-71.1-20.6000113.1N319 L320D317-N319 PolarHBondContact O-N 2.87Å; D317-L320 PolarHBondContact O-N 3.28Å; D317-L320 VanDerWaalsContact O-N 3.13Å
318D72.4Confident67.5Low89 Ų8993.4 Ų93.448%0.47650%0.504SS..G310 helixtrans-64.6-24.5-180-83.4-36.8000113.2Q316 R322Q316-D318 PolarHBondContact O-N 2.8Å; D318-R322 PolarHBondContact O-NH2 3.27Å; D318-R322 IonicContact OD1-NH2 3.19Å; D318-R322 PolarHBondContact OD1-NH2 3.37Å
319N81.4Confident69.4Low84 Ų8491 Ų9145%0.44947%0.474SS..G310 helixtrans-91.4-3.6179.9-62.5-71.5000113.4Q316 D317 V328 I329Q316-N319 PolarHBondContact O-N 3.01Å; D317-N319 PolarHBondContact O-N 2.87Å; N319-V328 CarbonylContact O-C 3.47Å; N319-V328 WeakPolarHBondContact O-CA 3.47Å; N319-V328 WeakPolarHBondContact O-CB 3.44Å; N319-I329 PolarHBondContact O-N 2.68Å
320L89Confident71.6Confident29 Ų2983.4 Ų83.415%0.15244%0.439CS..BIsolated β-bridgetrans-82.6143.6178.2-65.8175.2000111.3L293 D317 R322 V328 I329L293-L320 HydrophobicContact CD1-CD2 3.9Å; D317-L320 PolarHBondContact O-N 3.28Å; D317-L320 VanDerWaalsContact O-N 3.13Å; L320-R322 PolarHBondContact O-N 3.48Å; L320-V328 HydrophobicContact CD2-CG1 4.37Å; L320-I329 WeakPolarHBondContact O-CD1 3.37Å; L320-I329 WeakPolarHBondContact O-CG1 3.49Å
321C90.4Very high73.8Confident1 Ų173.3 Ų73.31%0.00740%0.395CS..  trans-53.8120.8172.8173.30000109.3I323 C324 M325 A327 C342 C345C321-I323 PolarHBondContact O-N 3.1Å; C321-I323 PolarHBondContact SG-N 3.08Å; C321-C324 VanDerWaalsContact CB-SG 3.57Å; C321-M325 VanDerWaalsContact O-CA 3.25Å; C321-M325 WeakPolarHBondContact O-CA 3.37Å; C321-M325 PolarHBondContact O-N 3.14Å; C321-A327 WeakPolarHBondContact CB-O 3.33Å; C321-A327 PolarHBondContact N-O 2.9Å; C321-C342 HydrophobicContact CB-CB 3.8Å; C321-C342 PolarHBondContact SG-N 3.3Å; C321-C342 VanDerWaalsContact SG-SG 3.63Å; C321-C345 VanDerWaalsContact SG-SG 3.66Å
322R88.6Confident76.1Confident125 Ų12570.7 Ų70.747%0.47238%0.377SS..THydrogen-bonded Turntrans-72.3-0.8-177.1-55.3-59.3178.1103.5-4.3113.8D318 L320 V340D318-R322 PolarHBondContact O-NH2 3.27Å; D318-R322 IonicContact OD1-NH2 3.19Å; D318-R322 PolarHBondContact OD1-NH2 3.37Å; L320-R322 PolarHBondContact O-N 3.48Å; R322-V340 HydrophobicContact CB-CG2 3.86Å; R322-V340 HydrophobicContact CG-CG2 3.67Å; R322-V340 PolarHBondContact N-O 2.92Å
323I90.6Very high78.6Confident93 Ų9365.4 Ų65.448%0.47734%0.342SS..THydrogen-bonded Turntrans-102.6-54.7-179.3-51.2-58000111.2C321 T341 C345 P353C321-I323 PolarHBondContact O-N 3.1Å; C321-I323 PolarHBondContact SG-N 3.08Å; I323-T341 HydrophobicContact CD1-CG2 4.41Å; I323-T341 HydrophobicContact CG1-CG2 3.54Å; I323-C345 HydrophobicContact CB-CB 3.91Å; I323-C345 HydrophobicContact CG1-CB 4.27Å; I323-C345 HydrophobicContact CG2-CB 4.13Å; I323-P353 HydrophobicContact CD1-CB 4.42Å; I323-P353 HydrophobicContact CD1-CG 4.42Å
324C90.4Very high80.6Confident33 Ų3362.4 Ų62.422%0.22333%0.327CS..THydrogen-bonded Turntrans-94-23179.563.30000113.4C321 D326 C345C321-C324 VanDerWaalsContact CB-SG 3.57Å; C324-D326 HydrophobicContact CB-CB 4.31Å; C324-D326 PolarHBondContact O-N 3.45Å; C324-C345 VanDerWaalsContact CB-SG 3.59Å
325M86.1Confident82.5Confident130 Ų13063.7 Ų63.764%0.6433%0.325SS*.SBendtrans56.4-3.2-169-61.6-178.5167.100115.3C321C321-M325 VanDerWaalsContact O-CA 3.25Å; C321-M325 WeakPolarHBondContact O-CA 3.37Å; C321-M325 PolarHBondContact O-N 3.14Å
326D83.9Confident84.4Confident123 Ų12358.9 Ų58.966%0.65830%0.303SS*.SBendtrans-95.5-1.6-176.5-60.3-31.8000115L293 C324L293-D326 WeakPolarHBondContact CD2-O 3.28Å; C324-D326 HydrophobicContact CB-CB 4.31Å; C324-D326 PolarHBondContact O-N 3.45Å
327A84.9Confident86.2Confident20 Ų2056 Ų5617%0.16530%0.301CS..SBendtrans-150.6150.2-176.500000110.2C321 C342C321-A327 WeakPolarHBondContact CB-O 3.33Å; C321-A327 PolarHBondContact N-O 2.9Å; A327-C342 HydrophobicContact CB-CB 3.72Å
328V89.2Confident87.7Confident24 Ų2454.1 Ų54.115%0.14529%0.288CS..BIsolated β-bridgetrans-67.7158.6175.1-570000112.4N289 N319 L320 D330 C342N289-V328 HydrophobicContact CB-CG2 4.08Å; N289-V328 WeakPolarHBondContact ND2-CG2 3.19Å; N289-V328 WeakPolarHBondContact OD1-CB 3.49Å; N289-V328 WeakPolarHBondContact OD1-CG1 3.26Å; N289-V328 WeakPolarHBondContact OD1-CG2 3Å; N289-V328 PolarHBondContact OD1-N 3.26Å; N319-V328 CarbonylContact O-C 3.47Å; N319-V328 WeakPolarHBondContact O-CA 3.47Å; N319-V328 WeakPolarHBondContact O-CB 3.44Å; L320-V328 HydrophobicContact CD2-CG1 4.37Å; V328-D330 PolarHBondContact O-N 2.72Å; V328-C342 VanDerWaalsContact O-CB 3.26Å; V328-C342 WeakPolarHBondContact O-CB 3.25Å
329I90.9Very high88.6Confident21 Ų2154.7 Ų54.711%0.10829%0.291CS..  trans-70.2112.5170.5-59.6167.5000108.5N319 L320 L339 K367N319-I329 PolarHBondContact O-N 2.68Å; L320-I329 WeakPolarHBondContact O-CD1 3.37Å; L320-I329 WeakPolarHBondContact O-CG1 3.49Å; I329-L339 VanDerWaalsContact CG2-C 3.49Å; I329-L339 HydrophobicContact CG2-CB 3.82Å; I329-K367 PolarHBondContact O-NZ 3.21Å
330D90.5Very high89.1Confident21 Ų2151.2 Ų51.211%0.11227%0.272CS..  trans-132.28.5-178.764.4-17.3000111.6V328 C342 T343 H364 V365V328-D330 PolarHBondContact O-N 2.72Å; D330-C342 WeakPolarHBondContact OD1-CA 3.3Å; D330-T343 PolarHBondContact OD1-N 3.07Å; D330-T343 PolarHBondContact OD1-OG1 3.43Å; D330-T343 PolarHBondContact OD2-OG1 2.94Å; D330-H364 WeakPolarHBondContact O-CA 3.47Å; D330-H364 IonicContact OD2-CD2 2.96Å; D330-H364 IonicContact OD2-NE2 3.11Å; D330-H364 PolarHBondContact OD2-NE2 3.4Å; D330-V365 PolarHBondContact O-N 2.88Å
331C89.9Confident89.2Confident0 Ų049.8 Ų49.80%027%0.265CS..EExtended strand (participates in β ladder)trans-130.6139.2-175.7179.10000112.6T341 V363C331-T341 PolarHBondContact N-O 3.29Å; C331-V363 WeakPolarHBondContact CA-O 3.33Å; C331-V363 PolarHBondContact SG-O 3.36Å; C331-V363 VanDerWaalsContact SG-O 3.42Å
332V92.1Very high89.3Confident26 Ų2650 Ų5016%0.15827%0.266CS..EExtended strand (participates in β ladder)trans-107.6135.217166.30000110.8L339 V363 V365V332-L339 HydrophobicContact CB-CG 4.23Å; V332-L339 HydrophobicContact CG2-CD1 4.15Å; V332-L339 HydrophobicContact CG2-CG 4.34Å; V332-V363 HydrophobicContact CG1-CB 4.19Å; V332-V363 PolarHBondContact N-O 3.09Å; V332-V363 PolarHBondContact O-N 3.29Å; V332-V365 HydrophobicContact CB-CG2 3.8Å; V332-V365 HydrophobicContact CG1-CG2 3.51Å
333L91.9Very high89.5Confident0 Ų044.1 Ų44.10%025%0.245CC..EExtended strand (participates in β ladder)trans-87.7114.5173.9-53.6178000109.3G337 H338 V340 M349 C352 V359 A362L333-G337 WeakPolarHBondContact O-CA 3.2Å; L333-G337 PolarHBondContact O-N 3.5Å; L333-H338 PolarHBondContact N-O 3.47Å; L333-V340 HydrophobicContact CD1-CG1 4.43Å; L333-M349 HydrophobicContact CD1-CE 4.43Å; L333-M349 HydrophobicContact CD1-SD 3.84Å; L333-M349 HydrophobicContact CD2-CG 4.38Å; L333-M349 HydrophobicContact CD2-SD 3.77Å; L333-M349 HydrophobicContact CG-SD 4.44Å; L333-C352 HydrophobicContact CD1-CB 3.97Å; L333-V359 HydrophobicContact CB-CG1 4.41Å; L333-V359 HydrophobicContact CB-CG2 4.3Å; L333-V359 HydrophobicContact CD1-CG2 3.94Å; L333-V359 HydrophobicContact CD2-CG1 3.91Å; L333-V359 HydrophobicContact CD2-CG2 4.23Å; L333-V359 HydrophobicContact CG-CG2 4.38Å; L333-A362 HydrophobicContact CD2-CB 4.42Å
334L84.5Confident89.4Confident59 Ų5943.4 Ų43.431%0.30924%0.242SC..THydrogen-bonded Turntrans-69.8156.7180-71.4166.2000111.5C336 R361 V363L334-C336 VanDerWaalsContact C-N 3.25Å; L334-C336 PolarHBondContact O-N 3.36Å; L334-R361 HydrophobicContact CB-CB 4.3Å; L334-R361 VanDerWaalsContact CB-O 3.31Å; L334-R361 WeakPolarHBondContact CB-O 3.22Å; L334-R361 HydrophobicContact CD1-CB 3.8Å; L334-R361 HydrophobicContact CD1-CG 4.24Å; L334-R361 VanDerWaalsContact CD1-NE 3.25Å; L334-R361 PolarHBondContact N-O 2.65Å; L334-V363 HydrophobicContact CD1-CG2 3.45Å; L334-V363 VanDerWaalsContact CD1-CG2 3.45Å; L334-V363 HydrophobicContact CG-CG2 4.22Å
335E84.8Confident89.5Confident129 Ų12942.1 Ų42.160%0.60323%0.233SC*.THydrogen-bonded Turntrans77.4-37.6-165.2-52.2-165.9156.800115.6V360E335-V360 HydrophobicContact CG-CB 4.22Å; E335-V360 HydrophobicContact CG-CG2 4.23Å; E335-V360 WeakPolarHBondContact OE1-CG2 3.49Å; E335-V360 WeakPolarHBondContact OE2-CG2 3.49Å
336C89.8Confident89.7Confident30 Ų3036.1 Ų36.120%0.20320%0.204CC..THydrogen-bonded Turntrans-111.8-21.1179.669.80000114.8L334 H338 C355 Q357L334-C336 VanDerWaalsContact C-N 3.25Å; L334-C336 PolarHBondContact O-N 3.36Å; C336-H338 VanDerWaalsContact C-N 3.3Å; C336-H338 PolarHBondContact O-N 3.28Å; C336-H338 PolarHBondContact SG-ND1 2.96Å; C336-H338 VanDerWaalsContact SG-ND1 3.42Å; C336-C355 VanDerWaalsContact CB-SG 3.52Å; C336-Q357 HydrophobicContact CB-CB 4.05Å; C336-Q357 HydrophobicContact CB-CG 4.27Å
337G87.9Confident89.9Confident42 Ų4233.6 Ų33.643%0.43319%0.187SC..  trans72.214172.900000115.5L333 L339L333-G337 WeakPolarHBondContact O-CA 3.2Å; L333-G337 PolarHBondContact O-N 3.5Å; G337-L339 WeakPolarHBondContact O-CD1 3.46Å
338H92.1Very high90.2Very high58 Ų5841.7 Ų41.727%0.26921%0.214SC..  trans-79.6128.4-179.2-64.6100.7000111.7L333 C336 C352 I354 C355L333-H338 PolarHBondContact N-O 3.47Å; C336-H338 VanDerWaalsContact C-N 3.3Å; C336-H338 PolarHBondContact O-N 3.28Å; C336-H338 PolarHBondContact SG-ND1 2.96Å; C336-H338 VanDerWaalsContact SG-ND1 3.42Å; H338-C352 PolarHBondContact ND1-SG 3.24Å; H338-C352 VanDerWaalsContact ND1-SG 3.38Å; H338-I354 HydrophobicContact CB-CG1 4.32Å; H338-C355 PolarHBondContact CE1-SG 2.84Å; H338-C355 PolarHBondContact ND1-SG 2.92Å
339L91.4Very high90Very high101 Ų10142 Ų4253%0.52921%0.214SC..  trans-99.594.4172.7-68.591.2000108.9I329 V332 G337I329-L339 VanDerWaalsContact CG2-C 3.49Å; I329-L339 HydrophobicContact CG2-CB 3.82Å; V332-L339 HydrophobicContact CB-CG 4.23Å; V332-L339 HydrophobicContact CG2-CD1 4.15Å; V332-L339 HydrophobicContact CG2-CG 4.34Å; G337-L339 WeakPolarHBondContact O-CD1 3.46Å
340V91.4Very high89.9Confident10 Ų1046.1 Ų46.16%0.06124%0.236CC..  trans-137.1-14.2-173.163.80000113.1R322 L333 P353 I354R322-V340 HydrophobicContact CB-CG2 3.86Å; R322-V340 HydrophobicContact CG-CG2 3.67Å; R322-V340 PolarHBondContact N-O 2.92Å; L333-V340 HydrophobicContact CD1-CG1 4.43Å; V340-P353 HydrophobicContact CB-CG 4.36Å; V340-P353 HydrophobicContact CG1-CG 3.42Å; V340-P353 VanDerWaalsContact CG1-CG 3.42Å; V340-P353 HydrophobicContact CG2-CG 3.99Å; V340-I354 HydrophobicContact CB-CG1 4.28Å; V340-I354 HydrophobicContact CG1-CG1 4.32Å; V340-I354 HydrophobicContact CG2-CD1 3.94Å; V340-I354 HydrophobicContact CG2-CG1 4.2Å
341T92.8Very high90Very high0 Ų050.8 Ų50.80%026%0.257CS..BIsolated β-bridgetrans-125.6151.5-174.359.70000111.5I323 C331 C345 M349I323-T341 HydrophobicContact CD1-CG2 4.41Å; I323-T341 HydrophobicContact CG1-CG2 3.54Å; C331-T341 PolarHBondContact N-O 3.29Å; T341-C345 HydrophobicContact CG2-CB 4.39Å; T341-M349 HydrophobicContact CG2-CE 3.73Å; T341-M349 HydrophobicContact CG2-SD 3.56Å; T341-M349 VanDerWaalsContact CG2-SD 3.56Å
342C92.3Very high90.1Very high4 Ų450.9 Ų50.93%0.02726%0.258CS..  trans-69.1164.1160.168.80000110.7C321 A327 V328 D330 D344 C345 G346C321-C342 HydrophobicContact CB-CB 3.8Å; C321-C342 PolarHBondContact SG-N 3.3Å; C321-C342 VanDerWaalsContact SG-SG 3.63Å; A327-C342 HydrophobicContact CB-CB 3.72Å; V328-C342 VanDerWaalsContact O-CB 3.26Å; V328-C342 WeakPolarHBondContact O-CB 3.25Å; D330-C342 WeakPolarHBondContact OD1-CA 3.3Å; C342-D344 VanDerWaalsContact C-N 3.27Å; C342-D344 PolarHBondContact O-N 2.89Å; C342-C345 PolarHBondContact O-N 2.86Å; C342-C345 VanDerWaalsContact O-N 3.13Å; C342-C345 PolarHBondContact SG-N 3.32Å; C342-C345 VanDerWaalsContact SG-N 3.44Å; C342-G346 PolarHBondContact O-N 2.89Å
343T91Very high90Very high3 Ų352.6 Ų52.62%0.01827%0.27CS..Hα-helixtrans-57.4-43-177.5-56.30000110.2N262 F263 D330 C345 G346 K347 H364N262-T343 WeakPolarHBondContact O-CG2 3.41Å; F263-T343 HydrophobicContact CD2-CG2 4.27Å; D330-T343 PolarHBondContact OD1-N 3.07Å; D330-T343 PolarHBondContact OD1-OG1 3.43Å; D330-T343 PolarHBondContact OD2-OG1 2.94Å; T343-C345 PolarHBondContact O-N 3.44Å; T343-G346 PolarHBondContact O-N 3.44Å; T343-K347 WeakPolarHBondContact O-CG 2.98Å; T343-K347 PolarHBondContact O-N 2.8Å; T343-H364 HydrophobicContact CG2-CB 4.44Å; T343-H364 PolarHBondContact OG1-CD2 2.74Å
344D90.4Very high89.9Confident78 Ų7857.6 Ų57.642%0.41730%0.295SS..Hα-helixtrans-67.7-32-179.7-67.2-34.9000114.3C342 K347 R348C342-D344 VanDerWaalsContact C-N 3.27Å; C342-D344 PolarHBondContact O-N 2.89Å; D344-K347 WeakPolarHBondContact OD1-CE 3.48Å; D344-K347 IonicContact OD1-NZ 2.86Å; D344-K347 PolarHBondContact OD1-NZ 3.15Å; D344-R348 PolarHBondContact O-NE 3.42Å
345C92.2Very high90.2Very high6 Ų657.4 Ų57.44%0.04130%0.298CS..Hα-helixtrans-77.4-38.1172.3-70.90000111.3C321 I323 C324 T341 C342 T343 K347 R348C321-C345 VanDerWaalsContact SG-SG 3.66Å; I323-C345 HydrophobicContact CB-CB 3.91Å; I323-C345 HydrophobicContact CG1-CB 4.27Å; I323-C345 HydrophobicContact CG2-CB 4.13Å; C324-C345 VanDerWaalsContact CB-SG 3.59Å; T341-C345 HydrophobicContact CG2-CB 4.39Å; C342-C345 PolarHBondContact O-N 2.86Å; C342-C345 VanDerWaalsContact O-N 3.13Å; C342-C345 PolarHBondContact SG-N 3.32Å; C342-C345 VanDerWaalsContact SG-N 3.44Å; T343-C345 PolarHBondContact O-N 3.44Å; C345-K347 VanDerWaalsContact C-N 3.3Å; C345-K347 PolarHBondContact O-N 3.12Å; C345-R348 PolarHBondContact O-N 3.38Å
346G90.7Very high90.6Very high3 Ų361 Ų613%0.03131%0.306CS..Hα-helixtrans-57.6-37.1173.800000113.5C342 T343 R348 M349C342-G346 PolarHBondContact O-N 2.89Å; T343-G346 PolarHBondContact O-N 3.44Å; G346-R348 PolarHBondContact O-N 3.13Å; G346-M349 WeakPolarHBondContact O-CG 3.31Å
347K87.7Confident90.6Very high71 Ų7164.1 Ų64.131%0.30932%0.318SS..THydrogen-bonded Turntrans-63.7-29178.6-32.8-178.4165.5160.80113.2R261 F263 T343 D344 C345R261-K347 WeakPolarHBondContact O-CE 3.4Å; R261-K347 PolarHBondContact O-NZ 2.69Å; F263-K347 HydrophobicContact CD2-CD 4.01Å; F263-K347 HydrophobicContact CD2-CG 3.86Å; F263-K347 HydrophobicContact CE2-CB 3.7Å; F263-K347 HydrophobicContact CE2-CD 3.41Å; F263-K347 VanDerWaalsContact CE2-CD 3.41Å; F263-K347 HydrophobicContact CE2-CG 3.26Å; F263-K347 HydrophobicContact CZ-CB 3.88Å; F263-K347 HydrophobicContact CZ-CD 4.39Å; F263-K347 HydrophobicContact CZ-CG 3.96Å; T343-K347 WeakPolarHBondContact O-CG 2.98Å; T343-K347 PolarHBondContact O-N 2.8Å; D344-K347 WeakPolarHBondContact OD1-CE 3.48Å; D344-K347 IonicContact OD1-NZ 2.86Å; D344-K347 PolarHBondContact OD1-NZ 3.15Å; C345-K347 VanDerWaalsContact C-N 3.3Å; C345-K347 PolarHBondContact O-N 3.12Å
348R89.8Confident90.8Very high190 Ų19068.6 Ų68.672%0.71732%0.323SS*.THydrogen-bonded Turntrans-98.9-0.4-168.4-65.8-174.6-70.71752.6113D344 C345 G346D344-R348 PolarHBondContact O-NE 3.42Å; C345-R348 PolarHBondContact O-N 3.38Å; G346-R348 PolarHBondContact O-N 3.13Å
349M85.9Confident90.7Very high30 Ų3066.4 Ų66.415%0.14831%0.314CS..  trans-110.9139.5-172.675.9-166.8-38.400112.5L333 T341 G346 Q351 P353 V359L333-M349 HydrophobicContact CD1-CE 4.43Å; L333-M349 HydrophobicContact CD1-SD 3.84Å; L333-M349 HydrophobicContact CD2-CG 4.38Å; L333-M349 HydrophobicContact CD2-SD 3.77Å; L333-M349 HydrophobicContact CG-SD 4.44Å; T341-M349 HydrophobicContact CG2-CE 3.73Å; T341-M349 HydrophobicContact CG2-SD 3.56Å; T341-M349 VanDerWaalsContact CG2-SD 3.56Å; G346-M349 WeakPolarHBondContact O-CG 3.31Å; M349-Q351 WeakPolarHBondContact CE-O 3.5Å; M349-P353 HydrophobicContact CE-CG 3.99Å; M349-V359 HydrophobicContact CG-CG2 4.34Å
350N89.1Confident90.4Very high108 Ų10865.7 Ų65.758%0.57831%0.313SS*.SBendtrans-105.5-10.7-179.9-59.3-16.6000112.5Y358 V359N350-Y358 HydrophobicContact CB-CE2 4.19Å; N350-Y358 WeakPolarHBondContact O-CA 3.2Å; N350-Y358 WeakPolarHBondContact O-CD2 3.4Å; N350-V359 PolarHBondContact O-N 3.24Å
351Q92.9Very high90.2Very high118 Ų11871.3 Ų71.355%0.55133%0.333SS*.BIsolated β-bridgetrans-139.5142.5178.7-67.8-18010.900110.3M349 Q357M349-Q351 WeakPolarHBondContact CE-O 3.5Å; Q351-Q357 CarbonylContact C-O 3.58Å; Q351-Q357 WeakPolarHBondContact CA-O 3.32Å
352C91.8Very high89.9Confident2 Ų271.5 Ų71.51%0.01434%0.335CS..  trans-66.5132.8175.2177.20000110.5L333 H338 I354 C355 R356 Q357L333-C352 HydrophobicContact CD1-CB 3.97Å; H338-C352 PolarHBondContact ND1-SG 3.24Å; H338-C352 VanDerWaalsContact ND1-SG 3.38Å; C352-I354 PolarHBondContact O-N 3.04Å; C352-I354 PolarHBondContact SG-N 3.44Å; C352-C355 VanDerWaalsContact SG-SG 3.64Å; C352-R356 WeakPolarHBondContact O-CA 3.46Å; C352-R356 PolarHBondContact O-N 3.43Å; C352-Q357 PolarHBondContact N-O 2.76Å
353P88.5Confident89.8Confident63 Ų6372.7 Ų72.741%0.40934%0.342SS..THydrogen-bonded Turntrans-74.3-15.6-177.331.3-32.1000112.1I323 V340 M349I323-P353 HydrophobicContact CD1-CB 4.42Å; I323-P353 HydrophobicContact CD1-CG 4.42Å; V340-P353 HydrophobicContact CB-CG 4.36Å; V340-P353 HydrophobicContact CG1-CG 3.42Å; V340-P353 VanDerWaalsContact CG1-CG 3.42Å; V340-P353 HydrophobicContact CG2-CG 3.99Å; M349-P353 HydrophobicContact CE-CG 3.99Å
354I90.8Very high89.6Confident104 Ų10473.1 Ų73.153%0.53334%0.344SS..THydrogen-bonded Turntrans-87.1-57.1178.2-53.8-56.6000110.8H338 V340 C352H338-I354 HydrophobicContact CB-CG1 4.32Å; V340-I354 HydrophobicContact CB-CG1 4.28Å; V340-I354 HydrophobicContact CG1-CG1 4.32Å; V340-I354 HydrophobicContact CG2-CD1 3.94Å; V340-I354 HydrophobicContact CG2-CG1 4.2Å; C352-I354 PolarHBondContact O-N 3.04Å; C352-I354 PolarHBondContact SG-N 3.44Å
355C91.4Very high89.5Confident55 Ų5571.9 Ų71.937%0.37234%0.339SS..THydrogen-bonded Turntrans-110.8-0.4-170.270.90000114.6C336 H338 C352 Q357C336-C355 VanDerWaalsContact CB-SG 3.52Å; H338-C355 PolarHBondContact CE1-SG 2.84Å; H338-C355 PolarHBondContact ND1-SG 2.92Å; C352-C355 VanDerWaalsContact SG-SG 3.64Å; C355-Q357 PolarHBondContact O-N 3.38Å; C355-Q357 WeakPolarHBondContact SG-CB 3.49Å
356R92.6Very high89Confident204 Ų20473.6 Ų73.677%0.7735%0.346SS*.  trans58.98.4-178.6-52.9-177.2-178.7-150.3-0.5115.5C352C352-R356 WeakPolarHBondContact O-CA 3.46Å; C352-R356 PolarHBondContact O-N 3.43Å
357Q90.3Very high87.9Confident97 Ų9779 Ų7945%0.45337%0.368SS..  trans-61.4140.9172.1-172.36519.200109.8C336 Q351 C352 C355 V359C336-Q357 HydrophobicContact CB-CB 4.05Å; C336-Q357 HydrophobicContact CB-CG 4.27Å; Q351-Q357 CarbonylContact C-O 3.58Å; Q351-Q357 WeakPolarHBondContact CA-O 3.32Å; C352-Q357 PolarHBondContact N-O 2.76Å; C355-Q357 PolarHBondContact O-N 3.38Å; C355-Q357 WeakPolarHBondContact SG-CB 3.49Å; Q357-V359 PolarHBondContact O-N 2.8Å
358Y92.3Very high86.1Confident135 Ų13585 Ų8553%0.52942%0.417SS..BIsolated β-bridgetrans-60.8134.4175.2-173.3-99.4000110.5N350 V360N350-Y358 HydrophobicContact CB-CE2 4.19Å; N350-Y358 WeakPolarHBondContact O-CA 3.2Å; N350-Y358 WeakPolarHBondContact O-CD2 3.4Å; Y358-V360 HydrophobicContact CD1-CG2 3.8Å; Y358-V360 HydrophobicContact CE1-CG2 4.15Å; Y358-V360 PolarHBondContact O-N 2.92Å
359V89.3Confident85.9Confident13 Ų1379.8 Ų79.88%0.07940%0.402CS..  trans-89.8104179.3178.10000108.1L333 M349 N350 Q357L333-V359 HydrophobicContact CB-CG1 4.41Å; L333-V359 HydrophobicContact CB-CG2 4.3Å; L333-V359 HydrophobicContact CD1-CG2 3.94Å; L333-V359 HydrophobicContact CD2-CG1 3.91Å; L333-V359 HydrophobicContact CD2-CG2 4.23Å; L333-V359 HydrophobicContact CG-CG2 4.38Å; M349-V359 HydrophobicContact CG-CG2 4.34Å; N350-V359 PolarHBondContact O-N 3.24Å; Q357-V359 PolarHBondContact O-N 2.8Å
360V85.4Confident85.9Confident86 Ų8682.4 Ų82.452%0.52142%0.416SS..SBendtrans-76.2-36.1175.4172.30000111.5E335 Y358E335-V360 HydrophobicContact CG-CB 4.22Å; E335-V360 HydrophobicContact CG-CG2 4.23Å; E335-V360 WeakPolarHBondContact OE1-CG2 3.49Å; E335-V360 WeakPolarHBondContact OE2-CG2 3.49Å; Y358-V360 HydrophobicContact CD1-CG2 3.8Å; Y358-V360 HydrophobicContact CE1-CG2 4.15Å; Y358-V360 PolarHBondContact O-N 2.92Å
361R86.3Confident85.7Confident127 Ų12780.9 Ų80.948%0.47941%0.407SS..  trans-156.9139.6-177.5-152.1171.172.3124.83.1111.2L334L334-R361 HydrophobicContact CB-CB 4.3Å; L334-R361 VanDerWaalsContact CB-O 3.31Å; L334-R361 WeakPolarHBondContact CB-O 3.22Å; L334-R361 HydrophobicContact CD1-CB 3.8Å; L334-R361 HydrophobicContact CD1-CG 4.24Å; L334-R361 VanDerWaalsContact CD1-NE 3.25Å; L334-R361 PolarHBondContact N-O 2.65Å
362A87.8Confident85.3Confident5 Ų578.8 Ų78.84%0.04140%0.398CS..EExtended strand (participates in β ladder)trans-103.3142171.200000108.5F263 L333F263-A362 WeakPolarHBondContact CB-O 3.22Å; F263-A362 HydrophobicContact CD1-CB 4.31Å; F263-A362 VanDerWaalsContact CD1-O 3.29Å; F263-A362 WeakPolarHBondContact CD1-O 3.29Å; L333-A362 HydrophobicContact CD2-CB 4.42Å
363V88.8Confident84.9Confident28 Ų2883.6 Ų83.617%0.1742%0.422CS..EExtended strand (participates in β ladder)trans-133.3135.21761760000109.3C331 V332 L334C331-V363 WeakPolarHBondContact CA-O 3.33Å; C331-V363 PolarHBondContact SG-O 3.36Å; C331-V363 VanDerWaalsContact SG-O 3.42Å; V332-V363 HydrophobicContact CG1-CB 4.19Å; V332-V363 PolarHBondContact N-O 3.09Å; V332-V363 PolarHBondContact O-N 3.29Å; L334-V363 HydrophobicContact CD1-CG2 3.45Å; L334-V363 VanDerWaalsContact CD1-CG2 3.45Å; L334-V363 HydrophobicContact CG-CG2 4.22Å
364H88.6Confident84.6Confident12 Ų1284.9 Ų84.96%0.05642%0.423CS..EExtended strand (participates in β ladder)trans-72.3129.4172.3-174.3-63.2000109.8N262 F263 V264 E285 D330 T343N262-H364 VanDerWaalsContact O-CB 3.27Å; N262-H364 WeakPolarHBondContact O-CB 3.3Å; F263-H364 PolarHBondContact O-N 2.76Å; V264-H364 HydrophobicContact CG2-CB 3.91Å; E285-H364 IonicContact OE2-CE1 2.74Å; E285-H364 PolarHBondContact OE2-CE1 2.76Å; E285-H364 VanDerWaalsContact OE2-CE1 3.28Å; D330-H364 WeakPolarHBondContact O-CA 3.47Å; D330-H364 IonicContact OD2-CD2 2.96Å; D330-H364 IonicContact OD2-NE2 3.11Å; D330-H364 PolarHBondContact OD2-NE2 3.4Å; T343-H364 HydrophobicContact CG2-CB 4.44Å; T343-H364 PolarHBondContact OG1-CD2 2.74Å
365V88Confident84.2Confident53 Ų5383.6 Ų83.632%0.32142%0.415SS..PPolyproline II helixtrans-103.3130.4177.6-176.40000107.9D330 V332D330-V365 PolarHBondContact O-N 2.88Å; V332-V365 HydrophobicContact CB-CG2 3.8Å; V332-V365 HydrophobicContact CG1-CG2 3.51Å
366F80.9Confident83.6Confident41 Ų4185.8 Ų85.818%0.1842%0.419CS..PPolyproline II helixtrans-85.1123.4173.2-61.9-85.1000108.6V264 R281 L282 E285 C368V264-F366 HydrophobicContact CG1-CE2 3.92Å; V264-F366 HydrophobicContact CG1-CZ 3.8Å; V264-F366 HydrophobicContact CG2-CE2 4.41Å; V264-F366 HydrophobicContact CG2-CZ 3.9Å; R281-F366 HydrophobicContact CB-CD1 4.36Å; R281-F366 HydrophobicContact CB-CE1 4.11Å; R281-F366 HydrophobicContact CG-CD1 3.59Å; R281-F366 HydrophobicContact CG-CE1 3.84Å; R281-F366 HydrophobicContact CG-CG 4.38Å; R281-F366 VanDerWaalsContact NE-CD1 3.28Å; R281-F366 VanDerWaalsContact NH2-CE2 3.27Å; L282-F366 HydrophobicContact CB-CE1 4.14Å; E285-F366 WeakPolarHBondContact OE2-CA 3.36Å; E285-F366 WeakPolarHBondContact OE2-CD1 3.49Å; F366-C368 PolarHBondContact O-N 2.88Å
367K68.6Low82.9Confident116 Ų11675.9 Ų75.950%0.50439%0.389SS..PPolyproline II helixtrans-74.1120.8167.5-73.8179.4174.2124.90108.7E285 I329E285-K367 PolarHBondContact OE1-N 3.14Å; I329-K367 PolarHBondContact O-NZ 3.21Å
368C48.4Very low82.2Confident198 Ų19874 Ų74100%1.33838%0.383SS*.  trans-68.30174.3-60.40000110.8F366F366-C368 PolarHBondContact O-N 2.88Å

Retrieved 368 of 368 residues in 106 ms (Link to these results)