A0A2K5LUP6_CERAT Loading...

Ventral anterior homeobox 2

Transcription factor that may function in dorsoventral specification of the forebrain. Regulates the expression of Wnt signaling antagonists including the expression of a truncated TCF7L2 isoform that cannot bind CTNNB1 and acts therefore as a potent dominant-negative Wnt antagonist. Plays a crucial role in eye development and, in particular, in the specification of the ventral optic vesicle. May be a regulator of axial polarization in the retina.

AlphaFold DB , UniProt , Accession A0A2K5LUP6, Species CERAT (Cercocebus atys, Sooty mangabey), Gene ATP6V1B1, Length 290 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
1M43Very low46.7Very low248 Ų248147.7 Ų147.7100%1.22287%0.87SS**  0114.70-83.6158.2149.200107.1
2G42Very low47.5Very low81 Ų81146.6 Ų146.684%0.83587%0.87SS**  trans65.6152.3166.200000116.2
3D42.1Very low47.4Very low171 Ų171142 Ų14291%0.91486%0.858SS**  cis-172.4156.5-0.4-175.1-102000107.1
4G40.5Very low47.3Very low71 Ų71149.5 Ų149.573%0.73286%0.863SS**  trans110123.7162.600000114.1
5G38.3Very low46.9Very low81 Ų81152.1 Ų152.184%0.83585%0.853SS**  cis173107.80.700000105.6
6A54.6Low46.7Very low107 Ų107148.8 Ų148.888%0.88485%0.851SS**PPolyproline II helixtrans-99.5116.1174.400000108.6
7E55.6Low46.4Very low197 Ų197149.1 Ų149.192%0.92184%0.843SS**PPolyproline II helixtrans-68.5150.3-178.8-166.1166.284.700111.7
8R51.7Low46.2Very low210 Ų210147.7 Ų147.779%0.79285%0.845SS**PPolyproline II helixtrans-86.9142.2-170.3-57.3155.5-163.5-102.91108.4
9D51.2Low46.2Very low166 Ų166145.1 Ų145.189%0.88884%0.843SS**  trans-132.9119.6144.2-155.2-97.9000110.1
10R51.2Low45.7Very low226 Ų226142 Ų14285%0.85384%0.844SS**  trans-107.1126.8175.9-89.5-177.3-175.4165.30.6106.6
11G43.7Very low45.3Very low67 Ų67139.2 Ų139.269%0.69185%0.845SS**  trans-159.4145.9162.700000111.5
12P55.5Low44.9Very low134 Ų134131.5 Ų131.587%0.8783%0.829SS**  -103.5155.5-121.135.7-34.2000116.5
13A46.6Very low44.6Very low87 Ų87131.3 Ų131.372%0.71983%0.827SS**  trans-75.1162.5164.100000112.9
14R46.8Very low44.5Very low247 Ų247135.7 Ų135.793%0.93283%0.831SS**  trans127.8131.9162.1-70.6162-161.5-91.43.8108.4
15R40.2Very low44.5Very low188 Ų188136.2 Ų136.271%0.70984%0.836SS**  cis-162.9133.425.5-178.4166.3173.4-103.3-9.4108E17R15-E17 IonicContact CZ-OE1 3.36Å; R15-E17 IonicContact CZ-OE2 3.49Å; R15-E17 IonicContact NH1-OE1 3.31Å; R15-E17 PolarHBondContact NH1-OE1 2.78Å; R15-E17 IonicContact NH1-OE2 2.69Å; R15-E17 PolarHBondContact NH1-OE2 2.8Å; R15-E17 IonicContact NH2-OE1 2.75Å; R15-E17 PolarHBondContact NH2-OE1 3.05Å; R15-E17 IonicContact NH2-OE2 3.67Å
16A44.4Very low44.6Very low100 Ų100136.2 Ų136.283%0.82684%0.836SS**  trans-75.4134.7163.100000108.9
17E41.9Very low43.7Very low153 Ų153139 Ų13972%0.71584%0.836SS**  trans-126.9130.8158.3-80.5-162.7116.600110.4R15R15-E17 IonicContact CZ-OE1 3.36Å; R15-E17 IonicContact CZ-OE2 3.49Å; R15-E17 IonicContact NH1-OE1 3.31Å; R15-E17 PolarHBondContact NH1-OE1 2.78Å; R15-E17 IonicContact NH1-OE2 2.69Å; R15-E17 PolarHBondContact NH1-OE2 2.8Å; R15-E17 IonicContact NH2-OE1 2.75Å; R15-E17 PolarHBondContact NH2-OE1 3.05Å; R15-E17 IonicContact NH2-OE2 3.67Å
18S42.8Very low43.3Very low125 Ų125141.3 Ų141.387%0.87484%0.836SS**  trans-116.7127.9178.5172.10000106.2
19A46.3Very low42.6Very low97 Ų97135 Ų13580%0.80284%0.836SS**  trans-168.8116.4159.900000106.3
20G36.5Very low41.9Very low83 Ų83130.8 Ų130.886%0.85683%0.833SS**  83.6117.785.900000108.9
21G35.9Very low41.4Very low85 Ų85124.5 Ų124.588%0.87683%0.829SS**  cis107.9113.738.900000108.7
22G35.3Very low41.5Very low86 Ų86129.3 Ų129.389%0.88783%0.833SS**  trans104.9139.3171.800000114.2
23G36.1Very low40.6Very low77 Ų77129.8 Ų129.879%0.79483%0.828SS**  cis-166.2146.12.700000108.7
24R40.3Very low40.7Very low263 Ų263133.4 Ų133.499%0.99284%0.835SS**  trans-83.7111.6173-72.8176.9171.4-130.6-0.6108.2
25G40.1Very low40.3Very low81 Ų81133.4 Ų133.484%0.83584%0.835SS**  trans-86.1125.3164.600000109.3
26G39.2Very low40.4Very low81 Ų81129.3 Ų129.384%0.83584%0.841SS**  trans-79.1158.3175.700000112.5
27D37.6Very low40.1Very low165 Ų165132.4 Ų132.488%0.88284%0.844SS**  trans-133129.2158-168.6-116.1000109.1
28R45.7Very low39.8Very low246 Ų246128.2 Ų128.293%0.92884%0.842SS**  trans-110.3127.6-179.8-80179.8175.1-178.9-1.2107.3
29G37.8Very low39.3Very low77 Ų77126.6 Ų126.679%0.79485%0.845SS**  trans-173.4121.1157.400000106.6
30G35.5Very low38.9Very low79 Ų79125.1 Ų125.181%0.81484%0.839SS**  cis112.893.233.300000106.5
31A41.9Very low39Very low93 Ų93130.4 Ų130.477%0.76984%0.841SS**  trans-157.1118.6162.400000108.8
32E44.5Very low39.4Very low168 Ų168132.2 Ų132.279%0.78584%0.84SS**  trans-54.6149.2173.252.1-115.379.800115.3
33D38.3Very low40Very low144 Ų144133.2 Ų133.277%0.7783%0.831SS**  -164.2113.6125.8-105.4-37.6000113.1
34L47.7Very low40.3Very low164 Ų164136.6 Ų136.686%0.85984%0.836SS**  trans41.3134.3139.6-61.5167.9000123.1
35R38Very low40.3Very low247 Ų247132.3 Ų132.393%0.93283%0.828SS**  trans-88.2151.2-176.4-60.5173.3162.4-151.6-4.6113.3
36A42.1Very low40.4Very low102 Ų102135.4 Ų135.484%0.84383%0.83SS**  trans173.5142141.300000105.8
37D37.7Very low40.5Very low164 Ų164135.9 Ų135.988%0.87783%0.826SS**  cis-170.91308.3-176.7-106.1000102.7
38G35.6Very low40.4Very low65 Ų65131.4 Ų131.467%0.6782%0.819SS**  107.9104.790.900000112.8
39G33.9Very low40.3Very low92 Ų92126.6 Ų126.695%0.94882%0.817SS**  trans70.2138.8158.800000117.8
40G37Very low40.3Very low65 Ų65128.1 Ų128.167%0.6782%0.816SS**  cis161.3143.48.800000107.4
41H39.3Very low40.6Very low194 Ų194129.4 Ų129.490%0.89882%0.818SS**  trans92.889.7166.7-46.8165.9000118.8
42S43Very low40.5Very low124 Ų124130.6 Ų130.687%0.86782%0.821SS**  36.4157118.5-84.10000123.7
43P48.7Very low40.4Very low106 Ų106128 Ų12869%0.68882%0.822SS**  -113.1160.2-120.540.9-35000114.8
44T42.5Very low41.1Very low148 Ų148127.6 Ų127.691%0.90883%0.827SS**  trans-116.4116.8154.230.60000109.4
45E40.5Very low40.7Very low174 Ų174124.7 Ų124.781%0.81383%0.826SS**  trans-51.2134.9170.6-58.1-101.1124.900112.4
46V42.6Very low40.7Very low146 Ų146116.8 Ų116.889%0.88582%0.822SS**  trans-155.8119.1133.1-80.30000109.9
47A40.8Very low40.7Very low90 Ų90117.6 Ų117.674%0.74482%0.821SS**  trans-55.5150.2166.100000110.8
48G36.3Very low41.4Very low71 Ų71121.3 Ų121.373%0.73282%0.823SS**  cis83.66729.100000111.1
49T43.3Very low41.7Very low145 Ų145126.6 Ų126.689%0.8983%0.83SS**  trans-153.8139.9160.437.90000113.5
50S38Very low42Very low110 Ų110127.8 Ų127.877%0.76982%0.824SS**  trans-83.4169.1-165.4-56.10000114.9
51A41.5Very low42.3Very low105 Ų105128.7 Ų128.787%0.86883%0.833SS**  trans-31.4131.3162.500000114.8
52S40.1Very low42.6Very low119 Ų119124.3 Ų124.383%0.83283%0.831SS**  trans-110114.3168.1-620000109.5
53S41Very low42.7Very low113 Ų113125.8 Ų125.879%0.7983%0.829SS**  trans-82141.9154.9-61.50000108.5
54P52.8Low42.7Very low135 Ų135126.1 Ų126.188%0.87783%0.834SS**  trans-95.4115.316431.7-24.2000109.7
55A39.6Very low42.9Very low103 Ų103126.6 Ų126.685%0.85183%0.831SS**  trans-122.3130.8159.800000108.7
56G37.8Very low43.2Very low82 Ų82121.6 Ų121.685%0.84583%0.826SS**  trans109.6111.6153.300000116.3
57S42.4Very low43.3Very low118 Ų118123.2 Ų123.283%0.82582%0.824SS**  -154.2134.7118.7-158.50000110.6
58R52.3Low43.6Very low242 Ų242124.9 Ų124.991%0.91383%0.827SS**  trans-121.1130.7176-85.3177.3154.6-168.1-5.2107.1
59E41.4Very low43.6Very low176 Ų176124.1 Ų124.182%0.82282%0.819SS**  trans177.4153.1147.156.3-173.4102.100107.2
60S41.4Very low44.1Very low118 Ų118123.8 Ų123.883%0.82582%0.82SS**  cis-167.6140-26.4-900000104.9
61G43Very low44.8Very low83 Ų83121.6 Ų121.686%0.85681%0.814SS**  trans45.3118.4151.500000122.3
62A44.9Very low45.2Very low102 Ų102125.2 Ų125.284%0.84381%0.813SS**  trans-152.9114134.300000109.5
63D45Very low45.9Very low156 Ų156122.7 Ų122.783%0.83480%0.799SS**  trans-78.1126.6164.7-179.8-98.4000108.2
64S49.8Very low47Very low112 Ų112122.7 Ų122.778%0.78379%0.79SS**  trans-162.7104.3165.5-76.50000110.5
65D46.3Very low47.8Very low158 Ų158123.2 Ų123.285%0.84578%0.781SS**  trans5.6126.3144.6-116.9-93.3000119.5
66G47.1Very low49.6Very low69 Ų69120.8 Ų120.871%0.71176%0.757SS**  trans6897.4139.500000120.5
67Q43.9Very low51.7Low180 Ų180122.8 Ų122.884%0.84174%0.739SS**  171.9129.7128.4-158.985.5-92.800110.1G69Q67-G69 PolarHBondContact O-N 3.44Å; Q67-G69 VanDerWaalsContact O-N 3.12Å
68P46.6Very low53.6Low126 Ų126125.5 Ų125.582%0.81873%0.731SS**  trans-7510216729.6-28.7000109.2
69G36.9Very low55.3Low54 Ų54116.4 Ų116.456%0.55770%0.7SS**  trans-70.9149.4170.800000111.6Q67 G71Q67-G69 PolarHBondContact O-N 3.44Å; Q67-G69 VanDerWaalsContact O-N 3.12Å; G69-G71 PolarHBondContact O-N 2.92Å
70P55.1Low57.7Low139 Ų139113.7 Ų113.790%0.90369%0.691SS**THydrogen-bonded Turntrans-75.532.1-17434-36.6000113.6
71G50.8Low60Low63 Ų63111.3 Ų111.365%0.64967%0.671SS**THydrogen-bonded Turntrans-92.9-4.3-17000000115.9G69G69-G71 PolarHBondContact O-N 2.92Å
72E50Low62.4Low182 Ų182115.9 Ų115.985%0.8566%0.662SS**THydrogen-bonded Turntrans-89.6-3.1-172.8-153.1178.5169.800113.9D74E72-D74 VanDerWaalsContact C-N 3.34Å; E72-D74 PolarHBondContact O-N 3.36Å
73A56Low64.4Low65 Ų65114 Ų11454%0.53764%0.638SS.*THydrogen-bonded Turntrans-81.7-6.2-173.500000114.8
74D63.7Low66.3Low114 Ų114112 Ų11261%0.6164%0.643SS**THydrogen-bonded Turntrans-98.83.6-155.8-133.532.8000116.6E72 K95E72-D74 VanDerWaalsContact C-N 3.34Å; E72-D74 PolarHBondContact O-N 3.36Å; D74-K95 WeakPolarHBondContact O-CD 3.37Å; D74-K95 WeakPolarHBondContact O-CE 3.44Å; D74-K95 PolarHBondContact O-NZ 2.92Å; D74-K95 IonicContact OD1-NZ 2.81Å; D74-K95 PolarHBondContact OD1-NZ 3.2Å; D74-K95 IonicContact OD2-NZ 3.24Å
75H69.7Low68.2Low145 Ų145115.9 Ų115.967%0.67165%0.646SS**THydrogen-bonded Turntrans-88.4-14.8179.6-65.188.9000114.2K95H75-K95 PolarHBondContact O-N 3.23Å
76C77.1Confident70.2Confident52 Ų52110.4 Ų110.435%0.35163%0.627SS.*EExtended strand (participates in β ladder)trans-127.1133.5-174.1-67.10000111.8V92 L93 K95C76-V92 HydrophobicContact CB-CG1 3.41Å; C76-V92 VanDerWaalsContact CB-CG1 3.41Å; C76-L93 CarbonylContact C-O 3.6Å; C76-L93 WeakPolarHBondContact CA-O 3.26Å; C76-K95 WeakPolarHBondContact O-CE 3.45Å
77R82.1Confident72.2Confident125 Ų125111 Ų11147%0.47262%0.617SS.*EExtended strand (participates in β ladder)trans-87.8119.1167.2-174.3178.8179.9-144.31108.2I79 L93 K95R77-I79 HydrophobicContact CG-CG1 4.09Å; R77-L93 PolarHBondContact N-O 3.42Å; R77-L93 PolarHBondContact O-N 3.34Å; R77-K95 HydrophobicContact CB-CG 4.12Å
78R83.3Confident74.5Confident175 Ų175106.9 Ų106.966%0.6660%0.599SS**EExtended strand (participates in β ladder)trans-90.7118.9174.6-62.4172.9168.2164.25.9108.8E90 V92R78-E90 HydrophobicContact CB-CG 4.36Å; R78-E90 WeakPolarHBondContact CB-OE1 3.42Å; R78-E90 WeakPolarHBondContact CD-OE1 3.35Å; R78-E90 WeakPolarHBondContact CG-OE1 3.45Å; R78-E90 IonicContact NE-OE1 3.29Å; R78-E90 PolarHBondContact NE-OE1 3.09Å; R78-V92 HydrophobicContact CG-CG2 4.42Å
79I87.3Confident76.5Confident50 Ų50109.1 Ų109.126%0.25659%0.591SS.*EExtended strand (participates in β ladder)trans-115.7121.9177.1-54.7-179.6000107.7R77 V81 I91 L93 L99R77-I79 HydrophobicContact CG-CG1 4.09Å; I79-V81 HydrophobicContact CG2-CG2 4.14Å; I79-I91 PolarHBondContact N-O 3.14Å; I79-I91 PolarHBondContact O-N 3.49Å; I79-L93 HydrophobicContact CD1-CD1 3.93Å; I79-L93 HydrophobicContact CG1-CD1 4.31Å; I79-L99 HydrophobicContact CD1-CD1 4.45Å
80L90.7Very high78.9Confident120 Ų120111.5 Ų111.563%0.62859%0.588SS**EExtended strand (participates in β ladder)trans-85.6115.8173.9-62.1178.3000109I88 R89 E90L80-I88 HydrophobicContact CB-CG2 3.79Å; L80-I88 HydrophobicContact CD1-CG2 4.4Å; L80-I88 HydrophobicContact CD2-CG2 4.09Å; L80-I88 HydrophobicContact CG-CG2 4.31Å; L80-R89 WeakPolarHBondContact CA-O 3.31Å; L80-E90 HydrophobicContact CD2-CB 3.95Å; L80-E90 HydrophobicContact CD2-CG 4.16Å
81V91.2Very high80.4Confident68 Ų68108.5 Ų108.541%0.41256%0.564SS.*EExtended strand (participates in β ladder)trans-107121.3175.9179.80000108.9I79 R89 I91I79-V81 HydrophobicContact CG2-CG2 4.14Å; V81-R89 PolarHBondContact N-O 2.79Å; V81-R89 PolarHBondContact O-N 3.48Å; V81-I91 HydrophobicContact CB-CD1 4.02Å; V81-I91 HydrophobicContact CB-CG1 4.46Å; V81-I91 HydrophobicContact CG2-CD1 3.41Å; V81-I91 VanDerWaalsContact CG2-CD1 3.41Å; V81-I91 HydrophobicContact CG2-CG1 4.01Å
82R92.7Very high81.9Confident179 Ų179109.2 Ų109.268%0.67556%0.556SS**EExtended strand (participates in β ladder)trans-85.4128.7172.7-172.7-177.9-77.4-180-3109.4T87 I88R82-T87 CarbonylContact C-O 3.59Å; R82-T87 WeakPolarHBondContact CA-O 3.33Å; R82-I88 HydrophobicContact CB-CG1 4.44Å; R82-I88 HydrophobicContact CG-CG1 4.39Å
83D86.6Confident83.4Confident63 Ų63102.4 Ų102.434%0.33753%0.525SS..  trans-82.7174174.970.720.1000112.7K85 G86 T87D83-K85 PolarHBondContact O-N 2.98Å; D83-K85 VanDerWaalsContact OD1-C 3.29Å; D83-K85 WeakPolarHBondContact OD1-CA 3.47Å; D83-K85 WeakPolarHBondContact OD1-CB 3.5Å; D83-K85 PolarHBondContact OD1-N 3.48Å; D83-G86 PolarHBondContact O-N 3.49Å; D83-G86 PolarHBondContact OD1-N 2.98Å; D83-T87 PolarHBondContact N-O 3.1Å; D83-T87 PolarHBondContact OD1-N 3.02Å; D83-T87 WeakPolarHBondContact OD2-CB 3.45Å
84A85.9Confident84.4Confident114 Ų114102.9 Ų102.994%0.94252%0.522SS*.THydrogen-bonded Turntrans-65.1-16.5179.400000113.8G86A84-G86 VanDerWaalsContact C-N 3.32Å
85K88.4Confident84.5Confident193 Ų193102 Ų10284%0.83951%0.513SS*.THydrogen-bonded Turntrans-92.24.4174.6-61.3-167.1178.6-170.30112.1D83 T87D83-K85 PolarHBondContact O-N 2.98Å; D83-K85 VanDerWaalsContact OD1-C 3.29Å; D83-K85 WeakPolarHBondContact OD1-CA 3.47Å; D83-K85 WeakPolarHBondContact OD1-CB 3.5Å; D83-K85 PolarHBondContact OD1-N 3.48Å; K85-T87 VanDerWaalsContact C-N 3.29Å; K85-T87 PolarHBondContact O-N 3.46Å
86G88.1Confident84.3Confident43 Ų4398.6 Ų98.644%0.44352%0.517SS..SBendtrans81.42.6179.600000114.6D83 A84D83-G86 PolarHBondContact O-N 3.49Å; D83-G86 PolarHBondContact OD1-N 2.98Å; A84-G86 VanDerWaalsContact C-N 3.32Å
87T89.9Confident83.7Confident81 Ų81101.1 Ų101.150%0.49753%0.526SS..  trans-78.7133.7179-53.40000109.8R82 D83 K85R82-T87 CarbonylContact C-O 3.59Å; R82-T87 WeakPolarHBondContact CA-O 3.33Å; D83-T87 PolarHBondContact N-O 3.1Å; D83-T87 PolarHBondContact OD1-N 3.02Å; D83-T87 WeakPolarHBondContact OD2-CB 3.45Å; K85-T87 VanDerWaalsContact C-N 3.29Å; K85-T87 PolarHBondContact O-N 3.46Å
88I91.8Very high82.8Confident93 Ų9399.7 Ų99.748%0.47753%0.528SS..EExtended strand (participates in β ladder)trans-94.3124.8179.8-57.3175.3000108.7L80 R82L80-I88 HydrophobicContact CB-CG2 3.79Å; L80-I88 HydrophobicContact CD1-CG2 4.4Å; L80-I88 HydrophobicContact CD2-CG2 4.09Å; L80-I88 HydrophobicContact CG-CG2 4.31Å; R82-I88 HydrophobicContact CB-CG1 4.44Å; R82-I88 HydrophobicContact CG-CG1 4.39Å
89R88.3Confident81.9Confident173 Ų17395 Ų9565%0.65352%0.516SS*.EExtended strand (participates in β ladder)trans-114.7136.5175.1-62.4-177.567.5-161.10.1110.2L80 V81L80-R89 WeakPolarHBondContact CA-O 3.31Å; V81-R89 PolarHBondContact N-O 2.79Å; V81-R89 PolarHBondContact O-N 3.48Å
90E89.1Confident80.8Confident104 Ų10499.5 Ų99.549%0.48654%0.54SS..EExtended strand (participates in β ladder)trans-84.8127173.5-172.2-179176.700110.3R78 L80 V92R78-E90 HydrophobicContact CB-CG 4.36Å; R78-E90 WeakPolarHBondContact CB-OE1 3.42Å; R78-E90 WeakPolarHBondContact CD-OE1 3.35Å; R78-E90 WeakPolarHBondContact CG-OE1 3.45Å; R78-E90 IonicContact NE-OE1 3.29Å; R78-E90 PolarHBondContact NE-OE1 3.09Å; L80-E90 HydrophobicContact CD2-CB 3.95Å; L80-E90 HydrophobicContact CD2-CG 4.16Å; E90-V92 HydrophobicContact CG-CG2 4.18Å
91I86.1Confident79.6Confident77 Ų77101.1 Ų101.140%0.39554%0.538SS..EExtended strand (participates in β ladder)trans-111.9119.3171-47.2-176000107.7I79 V81 L93I79-I91 PolarHBondContact N-O 3.14Å; I79-I91 PolarHBondContact O-N 3.49Å; V81-I91 HydrophobicContact CB-CD1 4.02Å; V81-I91 HydrophobicContact CB-CG1 4.46Å; V81-I91 HydrophobicContact CG2-CD1 3.41Å; V81-I91 VanDerWaalsContact CG2-CD1 3.41Å; V81-I91 HydrophobicContact CG2-CG1 4.01Å; I91-L93 HydrophobicContact CB-CD1 4.08Å; I91-L93 HydrophobicContact CG2-CD1 3.49Å; I91-L93 VanDerWaalsContact CG2-CD1 3.49Å; I91-L93 HydrophobicContact CG2-CG 4.4Å
92V83Confident78.5Confident78 Ų78103.4 Ų103.447%0.47355%0.554SS.*EExtended strand (participates in β ladder)trans-98.6110.5179.7-173.80000108.1C76 R78 E90C76-V92 HydrophobicContact CB-CG1 3.41Å; C76-V92 VanDerWaalsContact CB-CG1 3.41Å; R78-V92 HydrophobicContact CG-CG2 4.42Å; E90-V92 HydrophobicContact CG-CG2 4.18Å
93L80.8Confident77.6Confident39 Ų39102.7 Ų102.720%0.20456%0.556CS.*EExtended strand (participates in β ladder)trans-106.1133.3176.4-71.790.8000110C76 R77 I79 I91 K95 L99C76-L93 CarbonylContact C-O 3.6Å; C76-L93 WeakPolarHBondContact CA-O 3.26Å; R77-L93 PolarHBondContact N-O 3.42Å; R77-L93 PolarHBondContact O-N 3.34Å; I79-L93 HydrophobicContact CD1-CD1 3.93Å; I79-L93 HydrophobicContact CG1-CD1 4.31Å; I91-L93 HydrophobicContact CB-CD1 4.08Å; I91-L93 HydrophobicContact CG2-CD1 3.49Å; I91-L93 VanDerWaalsContact CG2-CD1 3.49Å; I91-L93 HydrophobicContact CG2-CG 4.4Å; L93-K95 PolarHBondContact O-N 3.43Å; L93-L99 HydrophobicContact CD2-CD1 4.11Å
94P77.3Confident76.9Confident75 Ų75109.5 Ų109.549%0.48758%0.577SS.*EExtended strand (participates in β ladder)trans-57.1130.2170.1-19.729.5000110G96 L97P94-G96 PolarHBondContact O-N 3.27Å; P94-G96 VanDerWaalsContact O-N 3.07Å; P94-L97 HydrophobicContact CB-CG 4.47Å; P94-L97 HydrophobicContact CG-CD1 4.43Å; P94-L97 WeakPolarHBondContact O-CB 3.18Å; P94-L97 PolarHBondContact O-N 3.29Å
95K65.8Low76.4Confident96 Ų96110.1 Ų110.142%0.41757%0.569SS.*THydrogen-bonded Turntrans-65.1-11.5-178.7-65.7-167.4-164.61710113.9D74 H75 C76 R77 L93 L97D74-K95 WeakPolarHBondContact O-CD 3.37Å; D74-K95 WeakPolarHBondContact O-CE 3.44Å; D74-K95 PolarHBondContact O-NZ 2.92Å; D74-K95 IonicContact OD1-NZ 2.81Å; D74-K95 PolarHBondContact OD1-NZ 3.2Å; D74-K95 IonicContact OD2-NZ 3.24Å; H75-K95 PolarHBondContact O-N 3.23Å; C76-K95 WeakPolarHBondContact O-CE 3.45Å; R77-K95 HydrophobicContact CB-CG 4.12Å; L93-K95 PolarHBondContact O-N 3.43Å; K95-L97 VanDerWaalsContact C-N 3.31Å
96G64.1Low76.1Confident72 Ų72112.5 Ų112.574%0.74257%0.573SS**THydrogen-bonded Turntrans-78.5-9.2170.600000114.7P94 D98P94-G96 PolarHBondContact O-N 3.27Å; P94-G96 VanDerWaalsContact O-N 3.07Å; G96-D98 PolarHBondContact O-N 3.47Å
97L65.1Low75.8Confident106 Ų106114.3 Ų114.356%0.55558%0.575SS**SBendtrans-80.382.9163.1-61.4-176.7000106.6P94 K95 L99P94-L97 HydrophobicContact CB-CG 4.47Å; P94-L97 HydrophobicContact CG-CD1 4.43Å; P94-L97 WeakPolarHBondContact O-CB 3.18Å; P94-L97 PolarHBondContact O-N 3.29Å; K95-L97 VanDerWaalsContact C-N 3.31Å; L97-L99 WeakPolarHBondContact O-CG 3.34Å; L97-L99 PolarHBondContact O-N 2.92Å
98D63.4Low75.9Confident95 Ų95116 Ų11651%0.50859%0.59SS.*  trans-61.181.8-173.3-163.87.3000110.8G96 R101G96-D98 PolarHBondContact O-N 3.47Å; D98-R101 HydrophobicContact CB-CB 3.89Å; D98-R101 VanDerWaalsContact CG-CB 3.46Å; D98-R101 VanDerWaalsContact O-CB 3.26Å; D98-R101 WeakPolarHBondContact O-CB 3.4Å; D98-R101 PolarHBondContact O-N 3.35Å; D98-R101 PolarHBondContact OD1-N 3.38Å; D98-R101 VanDerWaalsContact OD2-CB 3.25Å; D98-R101 WeakPolarHBondContact OD2-CB 3.18Å
99L64.3Low76.1Confident77 Ų77113.9 Ų113.940%0.40358%0.578SS.*SBendtrans-71-21.7174.2-69.1174.8000111.3I79 L93 L97I79-L99 HydrophobicContact CD1-CD1 4.45Å; L93-L99 HydrophobicContact CD2-CD1 4.11Å; L97-L99 WeakPolarHBondContact O-CG 3.34Å; L97-L99 PolarHBondContact O-N 2.92Å
100D63.6Low76.6Confident143 Ų143109.2 Ų109.277%0.76557%0.569SS**SBendtrans-85.1-10172.8-97.3-70.7000112.6P102D100-P102 WeakPolarHBondContact O-CD 3.38Å; D100-P102 VanDerWaalsContact O-N 3.13Å
101R66.4Low76.9Confident155 Ų155108.3 Ų108.359%0.58558%0.579SS**SBendtrans-56125.4168.9-157160.2-176.4-122.62.9107.9D98 K103D98-R101 HydrophobicContact CB-CB 3.89Å; D98-R101 VanDerWaalsContact CG-CB 3.46Å; D98-R101 VanDerWaalsContact O-CB 3.26Å; D98-R101 WeakPolarHBondContact O-CB 3.4Å; D98-R101 PolarHBondContact O-N 3.35Å; D98-R101 PolarHBondContact OD1-N 3.38Å; D98-R101 VanDerWaalsContact OD2-CB 3.25Å; D98-R101 WeakPolarHBondContact OD2-CB 3.18Å; R101-K103 PolarHBondContact O-N 2.92Å
102P68.4Low77.5Confident115 Ų115111.1 Ų111.175%0.74759%0.59SS**  trans-50.1115.1176.7-26.532.7000108.8D100 R104D100-P102 WeakPolarHBondContact O-CD 3.38Å; D100-P102 VanDerWaalsContact O-N 3.13Å; P102-R104 PolarHBondContact O-N 3.39Å
103K73.4Confident78.2Confident165 Ų165109 Ų10972%0.71758%0.575SS**PPolyproline II helixtrans-54.3116.1173.2-116.185.4174.1-172.90104.9R101 T105R101-K103 PolarHBondContact O-N 2.92Å; K103-T105 PolarHBondContact O-N 2.89Å
104R71.1Confident79Confident205 Ų205110.6 Ų110.677%0.77458%0.584SS**PPolyproline II helixtrans-53.8119.5173-77.8-164.3-163.4173.64.9107P102 R106P102-R104 PolarHBondContact O-N 3.39Å; R104-R106 PolarHBondContact O-N 3.28Å; R104-R106 VanDerWaalsContact O-N 3.14Å
105T76.1Confident80Confident127 Ų127114.5 Ų114.578%0.77959%0.59SS**PPolyproline II helixtrans-51.8122.7174.7-54.90000108.3K103 T107K103-T105 PolarHBondContact O-N 2.89Å; T105-T107 PolarHBondContact O-N 3.47Å; T105-T107 VanDerWaalsContact O-N 3.16Å
106R82.1Confident81.5Confident243 Ų243115 Ų11592%0.91759%0.589SS**PPolyproline II helixtrans-65.4117.4173.7-89.9176.178.2179.93.4107.6R104R104-R106 PolarHBondContact O-N 3.28Å; R104-R106 VanDerWaalsContact O-N 3.14Å
107T82.8Confident83.2Confident82 Ų82111.6 Ų111.650%0.50355%0.554SS.*PPolyproline II helixtrans-79.9124.9169.553.40000109T105T105-T107 PolarHBondContact O-N 3.47Å; T105-T107 VanDerWaalsContact O-N 3.16Å
108S91.6Very high84.7Confident115 Ų115109 Ų10980%0.80454%0.539SS*.PPolyproline II helixtrans-86.4140.516546.80000109.6
109F95.9Very high86.4Confident49 Ų49108.3 Ų108.322%0.21553%0.533CS..PPolyproline II helixtrans-94.1146.4171.3-58.6-56000109.3Q113 L114 L141 Q145 W149F109-Q113 HydrophobicContact CB-CB 4.27Å; F109-L114 HydrophobicContact CB-CD2 3.84Å; F109-L114 HydrophobicContact CB-CG 3.94Å; F109-L114 HydrophobicContact CD2-CD2 4.07Å; F109-L114 HydrophobicContact CG-CD2 4.38Å; F109-L141 HydrophobicContact CD1-CD1 3.92Å; F109-L141 HydrophobicContact CD1-CD2 3.85Å; F109-L141 HydrophobicContact CE1-CD1 3.83Å; F109-L141 HydrophobicContact CE1-CD2 3.78Å; F109-L141 HydrophobicContact CE1-CG 4.44Å; F109-Q145 HydrophobicContact CE1-CB 4.27Å; F109-Q145 HydrophobicContact CZ-CB 4.2Å; F109-W149 AromaticContact CD2-CD1 3.68Å; F109-W149 HydrophobicContact CE2-CB 4.36Å; F109-W149 AromaticContact CE2-CD1 3.53Å; F109-W149 HydrophobicContact CE2-CG 4.32Å
110T97.6Very high88Confident76 Ų76106.4 Ų106.447%0.46652%0.522SS..PPolyproline II helixtrans-69.8162.2173.370.90000110.7E112 Q113 L114T110-E112 VanDerWaalsContact C-N 3.28Å; T110-E112 PolarHBondContact O-N 2.76Å; T110-Q113 PolarHBondContact O-N 3.02Å; T110-Q113 VanDerWaalsContact OG1-CG 3.26Å; T110-Q113 WeakPolarHBondContact OG1-CG 3.28Å; T110-Q113 PolarHBondContact OG1-N 3.48Å; T110-Q113 PolarHBondContact OG1-OE1 3.44Å; T110-L114 WeakPolarHBondContact O-CG 3.48Å; T110-L114 PolarHBondContact O-N 2.91Å
111A97.1Very high89.6Confident84 Ų8499.8 Ų99.869%0.69449%0.487SS*.Hα-helixtrans-59.3-40.5176.700000112.1L114 Y115A111-L114 PolarHBondContact O-N 2.79Å; A111-Y115 WeakPolarHBondContact O-CB 3.44Å; A111-Y115 PolarHBondContact O-N 3.29Å
112E97.4Very high91.1Very high136 Ų13699.6 Ų99.664%0.63649%0.493SS*.Hα-helixtrans-63.6-43.5177.1-175.3-179.9-179.500112.1T110 L114 Y115 R116T110-E112 VanDerWaalsContact C-N 3.28Å; T110-E112 PolarHBondContact O-N 2.76Å; E112-L114 VanDerWaalsContact C-N 3.35Å; E112-L114 PolarHBondContact O-N 2.81Å; E112-Y115 PolarHBondContact O-N 3.02Å; E112-R116 WeakPolarHBondContact O-CG 3.4Å; E112-R116 PolarHBondContact O-N 3.44Å
113Q97.8Very high92.5Very high33 Ų33102 Ų10215%0.15449%0.487CS..Hα-helixtrans-60.8-45.4175.9-74171.6-26.500111.2F109 T110 Y115 R116 L117 L139F109-Q113 HydrophobicContact CB-CB 4.27Å; T110-Q113 PolarHBondContact O-N 3.02Å; T110-Q113 VanDerWaalsContact OG1-CG 3.26Å; T110-Q113 WeakPolarHBondContact OG1-CG 3.28Å; T110-Q113 PolarHBondContact OG1-N 3.48Å; T110-Q113 PolarHBondContact OG1-OE1 3.44Å; Q113-Y115 VanDerWaalsContact C-N 3.35Å; Q113-Y115 PolarHBondContact O-N 2.89Å; Q113-R116 PolarHBondContact O-N 3.02Å; Q113-L117 WeakPolarHBondContact O-CB 3.25Å; Q113-L117 WeakPolarHBondContact O-CD1 3.45Å; Q113-L117 WeakPolarHBondContact O-CG 3.37Å; Q113-L117 PolarHBondContact O-N 3.49Å; Q113-L139 HydrophobicContact CG-CB 4.44Å; Q113-L139 PolarHBondContact NE2-O 3.34Å
114L98Very high93.6Very high74 Ų7496.1 Ų96.139%0.38747%0.466SS..Hα-helixtrans-62-42.4177.2-69174.9000111.9F109 T110 A111 E112 L117 E118F109-L114 HydrophobicContact CB-CD2 3.84Å; F109-L114 HydrophobicContact CB-CG 3.94Å; F109-L114 HydrophobicContact CD2-CD2 4.07Å; F109-L114 HydrophobicContact CG-CD2 4.38Å; T110-L114 WeakPolarHBondContact O-CG 3.48Å; T110-L114 PolarHBondContact O-N 2.91Å; A111-L114 PolarHBondContact O-N 2.79Å; E112-L114 VanDerWaalsContact C-N 3.35Å; E112-L114 PolarHBondContact O-N 2.81Å; L114-L117 PolarHBondContact O-N 3.06Å; L114-E118 WeakPolarHBondContact O-CB 3.39Å; L114-E118 PolarHBondContact O-N 3.13Å
115Y98.1Very high94.8Very high156 Ų15690.2 Ų90.261%0.61245%0.447SS*.Hα-helixtrans-59.7-49.6177.8173.8-100.7000111.7A111 E112 Q113 L117 E118 M119A111-Y115 WeakPolarHBondContact O-CB 3.44Å; A111-Y115 PolarHBondContact O-N 3.29Å; E112-Y115 PolarHBondContact O-N 3.02Å; Q113-Y115 VanDerWaalsContact C-N 3.35Å; Q113-Y115 PolarHBondContact O-N 2.89Å; Y115-L117 PolarHBondContact O-N 3.28Å; Y115-E118 PolarHBondContact O-N 3.35Å; Y115-M119 WeakPolarHBondContact O-CB 3.44Å; Y115-M119 PolarHBondContact O-N 3.4Å
116R98.1Very high95.9Very high108 Ų10890.5 Ų90.541%0.40844%0.435SS..Hα-helixtrans-63.1-41.8178-69.5-72-166.21481.2112.5E112 Q113 E118 M119 E120 L139E112-R116 WeakPolarHBondContact O-CG 3.4Å; E112-R116 PolarHBondContact O-N 3.44Å; Q113-R116 PolarHBondContact O-N 3.02Å; R116-E118 VanDerWaalsContact C-N 3.34Å; R116-M119 PolarHBondContact O-N 2.97Å; R116-E120 PolarHBondContact O-N 3.29Å; R116-L139 HydrophobicContact CB-CD1 4.24Å; R116-L139 HydrophobicContact CB-CD2 3.51Å; R116-L139 HydrophobicContact CB-CG 4.48Å; R116-L139 HydrophobicContact CG-CD2 3.79Å
117L98.3Very high96.6Very high0 Ų079.5 Ų79.50%039%0.394CS..Hα-helixtrans-62.2-41.5175.7-73165000111.8Q113 L114 Y115 F121 L135 L139 L141 V146 W149 F150Q113-L117 WeakPolarHBondContact O-CB 3.25Å; Q113-L117 WeakPolarHBondContact O-CD1 3.45Å; Q113-L117 WeakPolarHBondContact O-CG 3.37Å; Q113-L117 PolarHBondContact O-N 3.49Å; L114-L117 PolarHBondContact O-N 3.06Å; Y115-L117 PolarHBondContact O-N 3.28Å; L117-F121 VanDerWaalsContact O-CB 3.28Å; L117-F121 WeakPolarHBondContact O-CB 3.28Å; L117-F121 PolarHBondContact O-N 3.08Å; L117-L135 HydrophobicContact CD2-CD2 3.97Å; L117-L135 HydrophobicContact CD2-CG 4.45Å; L117-L139 HydrophobicContact CD1-CD1 4.37Å; L117-L139 HydrophobicContact CD2-CD1 3.69Å; L117-L139 HydrophobicContact CG-CD1 3.61Å; L117-L141 HydrophobicContact CD1-CD1 4.25Å; L117-V146 HydrophobicContact CD2-CG1 4.39Å; L117-W149 HydrophobicContact CB-CD2 3.92Å; L117-W149 HydrophobicContact CB-CE3 3.89Å; L117-W149 HydrophobicContact CB-CH2 3.62Å; L117-W149 HydrophobicContact CB-CZ2 3.6Å; L117-W149 HydrophobicContact CB-CZ3 3.75Å; L117-W149 HydrophobicContact CD1-CD2 3.85Å; L117-W149 HydrophobicContact CD1-CE3 4.48Å; L117-W149 HydrophobicContact CD1-CG 3.85Å; L117-W149 HydrophobicContact CD2-CD2 4.32Å; L117-W149 HydrophobicContact CD2-CE3 4.19Å; L117-W149 HydrophobicContact CG-CD2 4.25Å; L117-W149 HydrophobicContact CG-CE3 4.41Å; L117-F150 HydrophobicContact CD2-CE2 3.95Å
118E98.3Very high97.2Very high52 Ų5280 Ų8024%0.24340%0.397CS..Hα-helixtrans-68.6-41.9178.3-167.366.1-150.400111.8L114 Y115 R116 E120 F121 Q122 W149 R153L114-E118 WeakPolarHBondContact O-CB 3.39Å; L114-E118 PolarHBondContact O-N 3.13Å; Y115-E118 PolarHBondContact O-N 3.35Å; R116-E118 VanDerWaalsContact C-N 3.34Å; E118-E120 VanDerWaalsContact C-N 3.34Å; E118-E120 PolarHBondContact O-N 2.85Å; E118-F121 WeakPolarHBondContact O-CB 3.35Å; E118-F121 PolarHBondContact O-N 2.95Å; E118-Q122 WeakPolarHBondContact O-CG 3.33Å; E118-Q122 PolarHBondContact O-N 3.13Å; E118-W149 HydrophobicContact CB-CH2 4.48Å; E118-R153 VanDerWaalsContact CD-NE 3.31Å; E118-R153 IonicContact OE1-CZ 2.8Å; E118-R153 VanDerWaalsContact OE1-CZ 3.28Å; E118-R153 IonicContact OE1-NE 3.63Å; E118-R153 PolarHBondContact OE1-NE 3.41Å; E118-R153 IonicContact OE1-NH2 3.8Å; E118-R153 PolarHBondContact OE1-NH2 3.26Å; E118-R153 WeakPolarHBondContact OE2-CD 3.44Å; E118-R153 IonicContact OE2-CZ 3.68Å; E118-R153 IonicContact OE2-NE 2.6Å; E118-R153 PolarHBondContact OE2-NE 3.42Å; E118-R153 IonicContact OE2-NH2 3.29Å
119M98.1Very high97.4Very high79 Ų7976.3 Ų76.339%0.38938%0.378SS..Hα-helixtrans-59.3-46175.3-175.6-178.869.100111.2Y115 R116 F121 Q122 R123Y115-M119 WeakPolarHBondContact O-CB 3.44Å; Y115-M119 PolarHBondContact O-N 3.4Å; R116-M119 PolarHBondContact O-N 2.97Å; M119-F121 VanDerWaalsContact C-N 3.33Å; M119-F121 PolarHBondContact O-N 3.49Å; M119-Q122 PolarHBondContact O-N 3.02Å; M119-R123 PolarHBondContact O-N 3.32Å
120E97.9Very high97.5Very high37 Ų3784.7 Ų84.717%0.17341%0.408CS..Hα-helixtrans-65.8-37.8176-164.163.9-13300111.4R116 E118 Q122 R123 C124 V127 L135 F150R116-E120 PolarHBondContact O-N 3.29Å; E118-E120 VanDerWaalsContact C-N 3.34Å; E118-E120 PolarHBondContact O-N 2.85Å; E120-Q122 VanDerWaalsContact C-N 3.32Å; E120-Q122 PolarHBondContact O-N 3.45Å; E120-R123 CarbonylContact O-C 3.36Å; E120-R123 WeakPolarHBondContact O-CB 3.39Å; E120-R123 PolarHBondContact O-N 2.89Å; E120-R123 VanDerWaalsContact O-N 3.07Å; E120-R123 IonicContact OE1-CZ 3.61Å; E120-R123 IonicContact OE1-NE 3.61Å; E120-R123 PolarHBondContact OE1-NE 3.21Å; E120-R123 IonicContact OE1-NH2 3.05Å; E120-R123 PolarHBondContact OE1-NH2 3.43Å; E120-C124 PolarHBondContact O-N 3.14Å; E120-V127 HydrophobicContact CG-CG1 4.17Å; E120-L135 HydrophobicContact CB-CD1 4.46Å; E120-L135 HydrophobicContact CB-CD2 4.22Å; E120-L135 HydrophobicContact CG-CD2 4.03Å; E120-F150 HydrophobicContact CB-CZ 4.32Å; E120-F150 HydrophobicContact CG-CZ 4.35Å
121F98.1Very high97.4Very high4 Ų484.9 Ų84.92%0.01840%0.404CS..Hα-helixtrans-63.2-35.9177.9-176.8-99.6000113.4L117 E118 M119 R123 C124 Q125 W149 F150 R153 R154 Q157L117-F121 VanDerWaalsContact O-CB 3.28Å; L117-F121 WeakPolarHBondContact O-CB 3.28Å; L117-F121 PolarHBondContact O-N 3.08Å; E118-F121 WeakPolarHBondContact O-CB 3.35Å; E118-F121 PolarHBondContact O-N 2.95Å; M119-F121 VanDerWaalsContact C-N 3.33Å; M119-F121 PolarHBondContact O-N 3.49Å; F121-R123 VanDerWaalsContact C-N 3.29Å; F121-C124 CarbonylContact O-C 3.53Å; F121-Q125 HydrophobicContact CD2-CB 4.35Å; F121-Q125 HydrophobicContact CD2-CG 4.45Å; F121-Q125 HydrophobicContact CE1-CG 4.2Å; F121-Q125 HydrophobicContact CE2-CB 3.79Å; F121-Q125 HydrophobicContact CE2-CG 3.92Å; F121-Q125 HydrophobicContact CZ-CB 4.11Å; F121-Q125 HydrophobicContact CZ-CG 3.78Å; F121-Q125 PolarHBondContact O-N 2.8Å; F121-W149 HydrophobicContact CB-CH2 4.22Å; F121-W149 HydrophobicContact CB-CZ3 4.01Å; F121-W149 HydrophobicContact CD2-CZ3 4.4Å; F121-W149 HydrophobicContact CG-CZ3 4.35Å; F121-F150 HydrophobicContact CB-CE1 4.13Å; F121-F150 HydrophobicContact CB-CZ 4.41Å; F121-F150 AromaticContact CD2-CD1 3.77Å; F121-F150 HydrophobicContact CD2-CD1 3.77Å; F121-F150 AromaticContact CD2-CE1 3.81Å; F121-F150 HydrophobicContact CD2-CE1 3.81Å; F121-F150 HydrophobicContact CE2-CD1 4.46Å; F121-F150 HydrophobicContact CG-CE1 4.48Å; F121-R153 HydrophobicContact CD1-CG 3.68Å; F121-R153 HydrophobicContact CD2-CB 4.27Å; F121-R153 HydrophobicContact CD2-CG 3.72Å; F121-R153 HydrophobicContact CE1-CG 3.62Å; F121-R153 HydrophobicContact CE2-CB 4.13Å; F121-R153 HydrophobicContact CE2-CG 3.68Å; F121-R153 HydrophobicContact CG-CG 3.73Å; F121-R153 HydrophobicContact CZ-CB 4.41Å; F121-R153 HydrophobicContact CZ-CG 3.63Å; F121-R154 HydrophobicContact CE2-CG 3.74Å; F121-R154 HydrophobicContact CZ-CG 4.1Å; F121-Q157 VanDerWaalsContact CZ-OE1 3.25Å
122Q97.6Very high97.5Very high152 Ų15283.5 Ų83.571%0.7138%0.38SS*.Hα-helixtrans-64.7-35.9172.8-71.2173.8-1.300111.7E118 M119 E120E118-Q122 WeakPolarHBondContact O-CG 3.33Å; E118-Q122 PolarHBondContact O-N 3.13Å; M119-Q122 PolarHBondContact O-N 3.02Å; E120-Q122 VanDerWaalsContact C-N 3.32Å; E120-Q122 PolarHBondContact O-N 3.45Å
123R97Very high97.5Very high165 Ų16580.2 Ų80.262%0.62337%0.369SS*.Hα-helixtrans-75.2-42.5177.3-158.6-175.472.485.84112M119 E120 F121 E131M119-R123 PolarHBondContact O-N 3.32Å; E120-R123 CarbonylContact O-C 3.36Å; E120-R123 WeakPolarHBondContact O-CB 3.39Å; E120-R123 PolarHBondContact O-N 2.89Å; E120-R123 VanDerWaalsContact O-N 3.07Å; E120-R123 IonicContact OE1-CZ 3.61Å; E120-R123 IonicContact OE1-NE 3.61Å; E120-R123 PolarHBondContact OE1-NE 3.21Å; E120-R123 IonicContact OE1-NH2 3.05Å; E120-R123 PolarHBondContact OE1-NH2 3.43Å; F121-R123 VanDerWaalsContact C-N 3.29Å; R123-E131 IonicContact NH2-OE1 3.79Å; R123-E131 PolarHBondContact NH2-OE1 3.16Å
124C96.7Very high97.5Very high41 Ų4182.1 Ų82.128%0.27738%0.378SS..  trans-150.2118.2179.1-172.40000111E120 F121 Y126 F150E120-C124 PolarHBondContact O-N 3.14Å; F121-C124 CarbonylContact O-C 3.53Å; C124-Y126 PolarHBondContact O-N 2.97Å; C124-Y126 PolarHBondContact SG-O 3.32Å; C124-F150 WeakPolarHBondContact O-CE1 3.44Å
125Q97.1Very high97.5Very high81 Ų8179 Ų7938%0.37936%0.362SS..SBendtrans-72.7-8.4-178.9-65.3179.8-1.700113.9F121 R154F121-Q125 HydrophobicContact CD2-CB 4.35Å; F121-Q125 HydrophobicContact CD2-CG 4.45Å; F121-Q125 HydrophobicContact CE1-CG 4.2Å; F121-Q125 HydrophobicContact CE2-CB 3.79Å; F121-Q125 HydrophobicContact CE2-CG 3.92Å; F121-Q125 HydrophobicContact CZ-CB 4.11Å; F121-Q125 HydrophobicContact CZ-CG 3.78Å; F121-Q125 PolarHBondContact O-N 2.8Å; Q125-R154 WeakPolarHBondContact O-CD 3.34Å
126Y97.9Very high97.5Very high134 Ų13471.8 Ų71.853%0.52534%0.335SS..  trans-136.197.2-175.4-67.2-97.3000111C124 R154C124-Y126 PolarHBondContact O-N 2.97Å; C124-Y126 PolarHBondContact SG-O 3.32Å; Y126-R154 VanDerWaalsContact CZ-CD 3.42Å; Y126-R154 PolarHBondContact OH-NH1 2.81Å
127V96.8Very high97.5Very high11 Ų1174.3 Ų74.37%0.06734%0.344CS..  trans-84.1132.8173.1-66.90000111.6E120 R132 L135 V146 F150E120-V127 HydrophobicContact CG-CG1 4.17Å; V127-R132 HydrophobicContact CB-CB 4.39Å; V127-R132 HydrophobicContact CG2-CB 4.31Å; V127-L135 HydrophobicContact CG1-CD2 4.45Å; V127-V146 HydrophobicContact CG2-CG1 3.96Å; V127-F150 HydrophobicContact CB-CE1 4.29Å; V127-F150 HydrophobicContact CB-CZ 4.28Å; V127-F150 HydrophobicContact CG1-CD1 4.26Å; V127-F150 HydrophobicContact CG1-CE1 3.54Å; V127-F150 HydrophobicContact CG1-CE2 4.06Å; V127-F150 HydrophobicContact CG1-CZ 3.42Å; V127-F150 VanDerWaalsContact CG1-CZ 3.42Å; V127-F150 HydrophobicContact CG2-CB 4.47Å; V127-F150 HydrophobicContact CG2-CD1 3.85Å; V127-F150 HydrophobicContact CG2-CD2 3.6Å; V127-F150 HydrophobicContact CG2-CE1 3.92Å; V127-F150 HydrophobicContact CG2-CE2 3.68Å; V127-F150 HydrophobicContact CG2-CG 3.7Å; V127-F150 HydrophobicContact CG2-CZ 3.84Å
128V96.3Very high97.4Very high92 Ų9278.9 Ų78.956%0.55837%0.366SS*.  trans-132.4153.9-174.9-63.70000112.1R130 E131 R132V128-R130 PolarHBondContact O-N 3.24Å; V128-E131 PolarHBondContact O-N 3.18Å; V128-R132 PolarHBondContact O-N 3.07Å
129G95.7Very high97.4Very high39 Ų3977.1 Ų77.140%0.40236%0.358SS..Hα-helixtrans39.6-111.7171.900000113.8R132 T133G129-R132 PolarHBondContact O-N 3.39Å; G129-T133 PolarHBondContact O-N 3.48Å; G129-T133 VanDerWaalsContact O-N 3.13Å; G129-T133 PolarHBondContact O-OG1 2.71Å; G129-T133 VanDerWaalsContact O-OG1 3.14Å
130R96.7Very high97.3Very high225 Ų22580.5 Ų80.585%0.84938%0.378SS*.Hα-helixtrans-60.5-43.8-177-173.6-178.6179.8-154.70.1114.3V128 R132 T133 E134V128-R130 PolarHBondContact O-N 3.24Å; R130-R132 VanDerWaalsContact C-N 3.28Å; R130-R132 PolarHBondContact O-N 3.41Å; R130-T133 PolarHBondContact O-N 2.96Å; R130-E134 PolarHBondContact O-N 3.46Å
131E97Very high97.3Very high80 Ų8079.9 Ų79.937%0.37438%0.375SS..Hα-helixtrans-64-38.6-178.6-64.6-174.9133.600110.9R123 V128 E134 L135R123-E131 IonicContact NH2-OE1 3.79Å; R123-E131 PolarHBondContact NH2-OE1 3.16Å; V128-E131 PolarHBondContact O-N 3.18Å; E131-E134 PolarHBondContact O-N 2.79Å; E131-L135 WeakPolarHBondContact O-CB 3.34Å; E131-L135 PolarHBondContact O-N 3.33Å
132R98.3Very high97.2Very high55 Ų5582.2 Ų82.221%0.20839%0.392CS..Hα-helixtrans-65.3-44.9175.2172.4173.353.4-141.4-12.4111.7V127 V128 G129 R130 E134 L135 A136 E143 V146V127-R132 HydrophobicContact CB-CB 4.39Å; V127-R132 HydrophobicContact CG2-CB 4.31Å; V128-R132 PolarHBondContact O-N 3.07Å; G129-R132 PolarHBondContact O-N 3.39Å; R130-R132 VanDerWaalsContact C-N 3.28Å; R130-R132 PolarHBondContact O-N 3.41Å; R132-E134 VanDerWaalsContact C-N 3.32Å; R132-E134 PolarHBondContact O-N 3.49Å; R132-L135 PolarHBondContact O-N 2.87Å; R132-A136 WeakPolarHBondContact O-CB 3.4Å; R132-A136 PolarHBondContact O-N 3Å; R132-E143 WeakPolarHBondContact CD-O 3.5Å; R132-E143 HydrophobicContact CG-CB 4.04Å; R132-E143 HydrophobicContact CG-CG 4.1Å; R132-E143 IonicContact NE-OE2 2.79Å; R132-E143 PolarHBondContact NE-OE2 3.46Å; R132-V146 HydrophobicContact CG-CB 4.39Å; R132-V146 HydrophobicContact CG-CG1 4.23Å
133T98.1Very high97.2Very high66 Ų6678.7 Ų78.741%0.40538%0.376SS..Hα-helixtrans-60.7-43.4178-53.80000111G129 R130 A136 R137 E143G129-T133 PolarHBondContact O-N 3.48Å; G129-T133 VanDerWaalsContact O-N 3.13Å; G129-T133 PolarHBondContact O-OG1 2.71Å; G129-T133 VanDerWaalsContact O-OG1 3.14Å; R130-T133 PolarHBondContact O-N 2.96Å; T133-A136 PolarHBondContact O-N 3.18Å; T133-R137 WeakPolarHBondContact O-CB 3.26Å; T133-R137 PolarHBondContact O-N 2.93Å; T133-E143 VanDerWaalsContact OG1-CD 3.24Å; T133-E143 PolarHBondContact OG1-OE1 3Å; T133-E143 PolarHBondContact OG1-OE2 2.79Å
134E97.8Very high97.1Very high73 Ų7375.1 Ų75.134%0.34137%0.372SS..Hα-helixtrans-68.2-44179.8-178.554.4-158.600112.1R130 E131 R132 A136 R137 Q138R130-E134 PolarHBondContact O-N 3.46Å; E131-E134 PolarHBondContact O-N 2.79Å; R132-E134 VanDerWaalsContact C-N 3.32Å; R132-E134 PolarHBondContact O-N 3.49Å; E134-A136 VanDerWaalsContact C-N 3.32Å; E134-A136 PolarHBondContact O-N 3.5Å; E134-R137 WeakPolarHBondContact O-CB 3.46Å; E134-R137 PolarHBondContact O-N 3.35Å; E134-R137 IonicContact OE1-CZ 3Å; E134-R137 IonicContact OE1-NE 3.7Å; E134-R137 IonicContact OE1-NH2 2.78Å; E134-R137 PolarHBondContact OE1-NH2 2.78Å; E134-R137 IonicContact OE2-CZ 2.71Å; E134-R137 IonicContact OE2-NE 3.28Å; E134-R137 PolarHBondContact OE2-NE 3.38Å; E134-R137 IonicContact OE2-NH2 3.62Å; E134-Q138 WeakPolarHBondContact O-CG 3.41Å; E134-Q138 PolarHBondContact O-N 3.18Å; E134-Q138 WeakPolarHBondContact OE1-CG 3.26Å; E134-Q138 PolarHBondContact OE1-NE2 2.93Å
135L97.6Very high97.1Very high9 Ų975.5 Ų75.55%0.04737%0.37CS..Hα-helixtrans-63-40176.6-172.663.8000111.9L117 E120 V127 E131 R132 R137 Q138 L139 V146 F150L117-L135 HydrophobicContact CD2-CD2 3.97Å; L117-L135 HydrophobicContact CD2-CG 4.45Å; E120-L135 HydrophobicContact CB-CD1 4.46Å; E120-L135 HydrophobicContact CB-CD2 4.22Å; E120-L135 HydrophobicContact CG-CD2 4.03Å; V127-L135 HydrophobicContact CG1-CD2 4.45Å; E131-L135 WeakPolarHBondContact O-CB 3.34Å; E131-L135 PolarHBondContact O-N 3.33Å; R132-L135 PolarHBondContact O-N 2.87Å; L135-R137 VanDerWaalsContact C-N 3.35Å; L135-Q138 PolarHBondContact O-N 3.38Å; L135-L139 HydrophobicContact CD1-CD1 3.83Å; L135-L139 HydrophobicContact CD1-CG 4.23Å; L135-L139 HydrophobicContact CG-CD1 4Å; L135-L139 WeakPolarHBondContact O-CB 3.44Å; L135-L139 VanDerWaalsContact O-CG 3.31Å; L135-L139 WeakPolarHBondContact O-CG 3.25Å; L135-L139 PolarHBondContact O-N 2.89Å; L135-L139 VanDerWaalsContact O-N 3.1Å; L135-V146 HydrophobicContact CD2-CG1 3.93Å; L135-F150 HydrophobicContact CD2-CE2 3.77Å; L135-F150 HydrophobicContact CD2-CZ 4.09Å
136A97.9Very high97.1Very high5 Ų571.7 Ų71.74%0.04135%0.352CS..Hα-helixtrans-59.9-46.1175.100000111.3R132 T133 E134 L139 N140 L141 E143 V146R132-A136 WeakPolarHBondContact O-CB 3.4Å; R132-A136 PolarHBondContact O-N 3Å; T133-A136 PolarHBondContact O-N 3.18Å; E134-A136 VanDerWaalsContact C-N 3.32Å; E134-A136 PolarHBondContact O-N 3.5Å; A136-L139 PolarHBondContact O-N 3.39Å; A136-N140 PolarHBondContact O-N 2.96Å; A136-N140 VanDerWaalsContact O-N 3.09Å; A136-L141 CarbonylContact C-O 3.45Å; A136-L141 WeakPolarHBondContact CB-O 3.34Å; A136-L141 PolarHBondContact O-N 2.9Å; A136-L141 VanDerWaalsContact O-O 3.1Å; A136-E143 HydrophobicContact CB-CG 4.06Å; A136-V146 HydrophobicContact CB-CG2 3.96Å
137R98Very high97.1Very high160 Ų16071.4 Ų71.460%0.60435%0.354SS*.Hα-helixtrans-62.4-47177.2-167.9-167.969.977.23112.1T133 E134 L135 L139 N140T133-R137 WeakPolarHBondContact O-CB 3.26Å; T133-R137 PolarHBondContact O-N 2.93Å; E134-R137 WeakPolarHBondContact O-CB 3.46Å; E134-R137 PolarHBondContact O-N 3.35Å; E134-R137 IonicContact OE1-CZ 3Å; E134-R137 IonicContact OE1-NE 3.7Å; E134-R137 IonicContact OE1-NH2 2.78Å; E134-R137 PolarHBondContact OE1-NH2 2.78Å; E134-R137 IonicContact OE2-CZ 2.71Å; E134-R137 IonicContact OE2-NE 3.28Å; E134-R137 PolarHBondContact OE2-NE 3.38Å; E134-R137 IonicContact OE2-NH2 3.62Å; L135-R137 VanDerWaalsContact C-N 3.35Å; R137-L139 VanDerWaalsContact C-N 3.28Å; R137-L139 PolarHBondContact O-N 3.21Å; R137-N140 PolarHBondContact O-N 2.83Å
138Q97.4Very high97.1Very high97 Ų9774.1 Ų74.145%0.45337%0.371SS..Hα-helixtrans-62.6-34.5-179.5-71.9178.29.700112.9E134 L135E134-Q138 WeakPolarHBondContact O-CG 3.41Å; E134-Q138 PolarHBondContact O-N 3.18Å; E134-Q138 WeakPolarHBondContact OE1-CG 3.26Å; E134-Q138 PolarHBondContact OE1-NE2 2.93Å; L135-Q138 PolarHBondContact O-N 3.38Å
139L96.9Very high97.2Very high15 Ų1571 Ų718%0.07935%0.348CS..Hα-helixtrans-95.40.5-176.8-58.8-178.4000113.9Q113 R116 L117 L135 A136 R137 L141Q113-L139 HydrophobicContact CG-CB 4.44Å; Q113-L139 PolarHBondContact NE2-O 3.34Å; R116-L139 HydrophobicContact CB-CD1 4.24Å; R116-L139 HydrophobicContact CB-CD2 3.51Å; R116-L139 HydrophobicContact CB-CG 4.48Å; R116-L139 HydrophobicContact CG-CD2 3.79Å; L117-L139 HydrophobicContact CD1-CD1 4.37Å; L117-L139 HydrophobicContact CD2-CD1 3.69Å; L117-L139 HydrophobicContact CG-CD1 3.61Å; L135-L139 HydrophobicContact CD1-CD1 3.83Å; L135-L139 HydrophobicContact CD1-CG 4.23Å; L135-L139 HydrophobicContact CG-CD1 4Å; L135-L139 WeakPolarHBondContact O-CB 3.44Å; L135-L139 VanDerWaalsContact O-CG 3.31Å; L135-L139 WeakPolarHBondContact O-CG 3.25Å; L135-L139 PolarHBondContact O-N 2.89Å; L135-L139 VanDerWaalsContact O-N 3.1Å; A136-L139 PolarHBondContact O-N 3.39Å; R137-L139 VanDerWaalsContact C-N 3.28Å; R137-L139 PolarHBondContact O-N 3.21Å; L139-L141 HydrophobicContact CB-CD1 4.04Å; L139-L141 HydrophobicContact CB-CG 3.97Å; L139-L141 HydrophobicContact CD1-CD1 4.41Å; L139-L141 PolarHBondContact O-N 2.96Å
140N97.2Very high97.3Very high149 Ų14969.3 Ų69.380%0.79733%0.33SS*.THydrogen-bonded Turntrans5342.9-172-58.2-74.5000112.3A136 R137A136-N140 PolarHBondContact O-N 2.96Å; A136-N140 VanDerWaalsContact O-N 3.09Å; R137-N140 PolarHBondContact O-N 2.83Å
141L96.3Very high97.3Very high24 Ų2462.7 Ų62.713%0.12631%0.309CS..  trans-115.7160.7177-62.4-179000110.1F109 L117 A136 L139 Q145 V146F109-L141 HydrophobicContact CD1-CD1 3.92Å; F109-L141 HydrophobicContact CD1-CD2 3.85Å; F109-L141 HydrophobicContact CE1-CD1 3.83Å; F109-L141 HydrophobicContact CE1-CD2 3.78Å; F109-L141 HydrophobicContact CE1-CG 4.44Å; L117-L141 HydrophobicContact CD1-CD1 4.25Å; A136-L141 CarbonylContact C-O 3.45Å; A136-L141 WeakPolarHBondContact CB-O 3.34Å; A136-L141 PolarHBondContact O-N 2.9Å; A136-L141 VanDerWaalsContact O-O 3.1Å; L139-L141 HydrophobicContact CB-CD1 4.04Å; L139-L141 HydrophobicContact CB-CG 3.97Å; L139-L141 HydrophobicContact CD1-CD1 4.41Å; L139-L141 PolarHBondContact O-N 2.96Å; L141-Q145 HydrophobicContact CB-CB 4.48Å; L141-V146 HydrophobicContact CB-CG2 4.19Å; L141-V146 HydrophobicContact CD1-CG2 4.49Å
142S97Very high97.4Very high54 Ų5463.6 Ų63.638%0.37832%0.316SS..  trans-77.8149.9168.1650000111.5T144 Q145 V146S142-T144 PolarHBondContact O-N 3.27Å; S142-T144 VanDerWaalsContact O-N 3.13Å; S142-Q145 WeakPolarHBondContact O-CB 3.46Å; S142-Q145 PolarHBondContact O-N 3.07Å; S142-Q145 VanDerWaalsContact OG-CG 3.25Å; S142-Q145 WeakPolarHBondContact OG-CG 3.49Å; S142-Q145 PolarHBondContact OG-N 3.05Å; S142-Q145 PolarHBondContact OG-OE1 2.86Å; S142-V146 PolarHBondContact O-N 3.31Å; S142-V146 VanDerWaalsContact O-N 3.08Å
143E97.4Very high97.3Very high77 Ų7763.1 Ų63.136%0.3631%0.314SS..Hα-helixtrans-54.1-34.6173.4-70.5-164.4-141.800112.5R132 T133 A136 V146 K147R132-E143 WeakPolarHBondContact CD-O 3.5Å; R132-E143 HydrophobicContact CG-CB 4.04Å; R132-E143 HydrophobicContact CG-CG 4.1Å; R132-E143 IonicContact NE-OE2 2.79Å; R132-E143 PolarHBondContact NE-OE2 3.46Å; T133-E143 VanDerWaalsContact OG1-CD 3.24Å; T133-E143 PolarHBondContact OG1-OE1 3Å; T133-E143 PolarHBondContact OG1-OE2 2.79Å; A136-E143 HydrophobicContact CB-CG 4.06Å; E143-V146 PolarHBondContact O-N 3.49Å; E143-K147 VanDerWaalsContact O-CB 3.28Å; E143-K147 WeakPolarHBondContact O-CB 3.45Å; E143-K147 PolarHBondContact O-N 2.96Å
144T96.2Very high97.3Very high90 Ų9062.6 Ų62.655%0.55231%0.305SS*.Hα-helixtrans-65.6-41.7176.4-62.30000111.5S142 K147 V148S142-T144 PolarHBondContact O-N 3.27Å; S142-T144 VanDerWaalsContact O-N 3.13Å; T144-K147 PolarHBondContact O-N 3.48Å; T144-V148 HydrophobicContact CG2-CG2 4.37Å; T144-V148 WeakPolarHBondContact O-CB 3.37Å; T144-V148 VanDerWaalsContact O-CG2 3.26Å; T144-V148 WeakPolarHBondContact O-CG2 3.02Å; T144-V148 PolarHBondContact O-N 3.09Å
145Q96.3Very high97.3Very high50 Ų5063.1 Ų63.123%0.23431%0.313CS..Hα-helixtrans-64.3-43.8176.1-76.4164.5-56.300111.5F109 L141 S142 K147 V148 W149F109-Q145 HydrophobicContact CE1-CB 4.27Å; F109-Q145 HydrophobicContact CZ-CB 4.2Å; L141-Q145 HydrophobicContact CB-CB 4.48Å; S142-Q145 WeakPolarHBondContact O-CB 3.46Å; S142-Q145 PolarHBondContact O-N 3.07Å; S142-Q145 VanDerWaalsContact OG-CG 3.25Å; S142-Q145 WeakPolarHBondContact OG-CG 3.49Å; S142-Q145 PolarHBondContact OG-N 3.05Å; S142-Q145 PolarHBondContact OG-OE1 2.86Å; Q145-K147 PolarHBondContact O-N 3.32Å; Q145-V148 PolarHBondContact O-N 3.1Å; Q145-W149 WeakPolarHBondContact O-CB 3.4Å; Q145-W149 PolarHBondContact O-N 3.45Å
146V97.3Very high97.3Very high0 Ų067.9 Ų67.90%033%0.334CS..Hα-helixtrans-59.9-47.8174.5177.40000110.1L117 V127 R132 L135 A136 L141 S142 E143 V148 W149 F150L117-V146 HydrophobicContact CD2-CG1 4.39Å; V127-V146 HydrophobicContact CG2-CG1 3.96Å; R132-V146 HydrophobicContact CG-CB 4.39Å; R132-V146 HydrophobicContact CG-CG1 4.23Å; L135-V146 HydrophobicContact CD2-CG1 3.93Å; A136-V146 HydrophobicContact CB-CG2 3.96Å; L141-V146 HydrophobicContact CB-CG2 4.19Å; L141-V146 HydrophobicContact CD1-CG2 4.49Å; S142-V146 PolarHBondContact O-N 3.31Å; S142-V146 VanDerWaalsContact O-N 3.08Å; E143-V146 PolarHBondContact O-N 3.49Å; V146-V148 PolarHBondContact O-N 3.06Å; V146-W149 PolarHBondContact O-N 2.8Å; V146-F150 HydrophobicContact CG1-CD2 3.84Å; V146-F150 HydrophobicContact CG1-CE2 3.9Å; V146-F150 WeakPolarHBondContact O-CD2 3.33Å; V146-F150 PolarHBondContact O-N 3.29Å
147K96.9Very high97.2Very high128 Ų12869.5 Ų69.556%0.55734%0.34SS*.Hα-helixtrans-56.3-47.9176.6-178.2-176.2178.9-178.80112.2E143 T144 Q145 F150 Q151E143-K147 VanDerWaalsContact O-CB 3.28Å; E143-K147 WeakPolarHBondContact O-CB 3.45Å; E143-K147 PolarHBondContact O-N 2.96Å; T144-K147 PolarHBondContact O-N 3.48Å; Q145-K147 PolarHBondContact O-N 3.32Å; K147-F150 PolarHBondContact O-N 2.93Å; K147-Q151 WeakPolarHBondContact O-CB 3.46Å; K147-Q151 PolarHBondContact O-N 2.89Å
148V96.9Very high97.1Very high69 Ų6969.6 Ų69.642%0.41835%0.345SS..Hα-helixtrans-65.8-40.5179.3170.30000110.8T144 Q145 V146 Q151 N152T144-V148 HydrophobicContact CG2-CG2 4.37Å; T144-V148 WeakPolarHBondContact O-CB 3.37Å; T144-V148 VanDerWaalsContact O-CG2 3.26Å; T144-V148 WeakPolarHBondContact O-CG2 3.02Å; T144-V148 PolarHBondContact O-N 3.09Å; Q145-V148 PolarHBondContact O-N 3.1Å; V146-V148 PolarHBondContact O-N 3.06Å; V148-Q151 PolarHBondContact O-N 2.71Å; V148-N152 WeakPolarHBondContact O-CB 3.39Å; V148-N152 VanDerWaalsContact O-CG 3.23Å; V148-N152 PolarHBondContact O-N 3.42Å; V148-N152 PolarHBondContact O-ND2 2.95Å
149W97.4Very high97Very high25 Ų2571.6 Ų71.610%0.09535%0.352CS..Hα-helixtrans-61.2-48.9176.8-172.597.8000111.2F109 L117 E118 F121 Q145 V146 Q151 N152 R153F109-W149 AromaticContact CD2-CD1 3.68Å; F109-W149 HydrophobicContact CE2-CB 4.36Å; F109-W149 AromaticContact CE2-CD1 3.53Å; F109-W149 HydrophobicContact CE2-CG 4.32Å; L117-W149 HydrophobicContact CB-CD2 3.92Å; L117-W149 HydrophobicContact CB-CE3 3.89Å; L117-W149 HydrophobicContact CB-CH2 3.62Å; L117-W149 HydrophobicContact CB-CZ2 3.6Å; L117-W149 HydrophobicContact CB-CZ3 3.75Å; L117-W149 HydrophobicContact CD1-CD2 3.85Å; L117-W149 HydrophobicContact CD1-CE3 4.48Å; L117-W149 HydrophobicContact CD1-CG 3.85Å; L117-W149 HydrophobicContact CD2-CD2 4.32Å; L117-W149 HydrophobicContact CD2-CE3 4.19Å; L117-W149 HydrophobicContact CG-CD2 4.25Å; L117-W149 HydrophobicContact CG-CE3 4.41Å; E118-W149 HydrophobicContact CB-CH2 4.48Å; F121-W149 HydrophobicContact CB-CH2 4.22Å; F121-W149 HydrophobicContact CB-CZ3 4.01Å; F121-W149 HydrophobicContact CD2-CZ3 4.4Å; F121-W149 HydrophobicContact CG-CZ3 4.35Å; Q145-W149 WeakPolarHBondContact O-CB 3.4Å; Q145-W149 PolarHBondContact O-N 3.45Å; V146-W149 PolarHBondContact O-N 2.8Å; W149-Q151 VanDerWaalsContact C-N 3.31Å; W149-Q151 PolarHBondContact O-N 3.43Å; W149-N152 PolarHBondContact O-N 3.42Å; W149-R153 HydrophobicContact CE3-CB 4.08Å; W149-R153 HydrophobicContact CH2-CB 4.08Å; W149-R153 HydrophobicContact CH2-CG 3.78Å; W149-R153 HydrophobicContact CZ2-CG 4.47Å; W149-R153 HydrophobicContact CZ3-CB 3.82Å; W149-R153 HydrophobicContact CZ3-CG 3.87Å; W149-R153 WeakPolarHBondContact O-CB 3.48Å; W149-R153 PolarHBondContact O-N 3.45Å
150F98.3Very high96.8Very high5 Ų572.8 Ų72.82%0.02236%0.359CS..Hα-helixtrans-62.8-37.5177.6-89.4-101.6000112.3L117 E120 F121 C124 V127 L135 V146 K147 R153 R154L117-F150 HydrophobicContact CD2-CE2 3.95Å; E120-F150 HydrophobicContact CB-CZ 4.32Å; E120-F150 HydrophobicContact CG-CZ 4.35Å; F121-F150 HydrophobicContact CB-CE1 4.13Å; F121-F150 HydrophobicContact CB-CZ 4.41Å; F121-F150 AromaticContact CD2-CD1 3.77Å; F121-F150 HydrophobicContact CD2-CD1 3.77Å; F121-F150 AromaticContact CD2-CE1 3.81Å; F121-F150 HydrophobicContact CD2-CE1 3.81Å; F121-F150 HydrophobicContact CE2-CD1 4.46Å; F121-F150 HydrophobicContact CG-CE1 4.48Å; C124-F150 WeakPolarHBondContact O-CE1 3.44Å; V127-F150 HydrophobicContact CB-CE1 4.29Å; V127-F150 HydrophobicContact CB-CZ 4.28Å; V127-F150 HydrophobicContact CG1-CD1 4.26Å; V127-F150 HydrophobicContact CG1-CE1 3.54Å; V127-F150 HydrophobicContact CG1-CE2 4.06Å; V127-F150 HydrophobicContact CG1-CZ 3.42Å; V127-F150 VanDerWaalsContact CG1-CZ 3.42Å; V127-F150 HydrophobicContact CG2-CB 4.47Å; V127-F150 HydrophobicContact CG2-CD1 3.85Å; V127-F150 HydrophobicContact CG2-CD2 3.6Å; V127-F150 HydrophobicContact CG2-CE1 3.92Å; V127-F150 HydrophobicContact CG2-CE2 3.68Å; V127-F150 HydrophobicContact CG2-CG 3.7Å; V127-F150 HydrophobicContact CG2-CZ 3.84Å; L135-F150 HydrophobicContact CD2-CE2 3.77Å; L135-F150 HydrophobicContact CD2-CZ 4.09Å; V146-F150 HydrophobicContact CG1-CD2 3.84Å; V146-F150 HydrophobicContact CG1-CE2 3.9Å; V146-F150 WeakPolarHBondContact O-CD2 3.33Å; V146-F150 PolarHBondContact O-N 3.29Å; K147-F150 PolarHBondContact O-N 2.93Å; F150-R153 PolarHBondContact O-N 3.27Å; F150-R154 WeakPolarHBondContact O-CG 3.29Å; F150-R154 PolarHBondContact O-N 3.4Å
151Q98Very high96.6Very high85 Ų8570.7 Ų70.740%0.39734%0.344SS..Hα-helixtrans-63.4-47173.9-175.558.469.500111.6K147 V148 W149 R153 R154 T155K147-Q151 WeakPolarHBondContact O-CB 3.46Å; K147-Q151 PolarHBondContact O-N 2.89Å; V148-Q151 PolarHBondContact O-N 2.71Å; W149-Q151 VanDerWaalsContact C-N 3.31Å; W149-Q151 PolarHBondContact O-N 3.43Å; Q151-R153 VanDerWaalsContact C-N 3.32Å; Q151-R153 PolarHBondContact O-N 2.91Å; Q151-R154 PolarHBondContact O-N 2.84Å; Q151-T155 PolarHBondContact O-N 2.82Å; Q151-T155 VanDerWaalsContact O-N 3.1Å; Q151-T155 PolarHBondContact O-OG1 3.15Å; Q151-T155 VanDerWaalsContact O-OG1 3.09Å
152N97.4Very high96.2Very high99 Ų9973 Ų7353%0.52936%0.362SS..Hα-helixtrans-64.2-39.4177.6-71.7-18.2000111.6V148 W149 T155 K156V148-N152 WeakPolarHBondContact O-CB 3.39Å; V148-N152 VanDerWaalsContact O-CG 3.23Å; V148-N152 PolarHBondContact O-N 3.42Å; V148-N152 PolarHBondContact O-ND2 2.95Å; W149-N152 PolarHBondContact O-N 3.42Å; N152-T155 PolarHBondContact O-N 2.96Å; N152-K156 WeakPolarHBondContact O-CB 3.13Å; N152-K156 PolarHBondContact O-N 3.07Å
153R97.8Very high95.9Very high45 Ų4575.9 Ų75.917%0.1737%0.365CS..Hα-helixtrans-63.2-44.3179.2-174.965.4-171.1101.4-3.3111.8E118 F121 W149 F150 Q151 K156 Q157E118-R153 VanDerWaalsContact CD-NE 3.31Å; E118-R153 IonicContact OE1-CZ 2.8Å; E118-R153 VanDerWaalsContact OE1-CZ 3.28Å; E118-R153 IonicContact OE1-NE 3.63Å; E118-R153 PolarHBondContact OE1-NE 3.41Å; E118-R153 IonicContact OE1-NH2 3.8Å; E118-R153 PolarHBondContact OE1-NH2 3.26Å; E118-R153 WeakPolarHBondContact OE2-CD 3.44Å; E118-R153 IonicContact OE2-CZ 3.68Å; E118-R153 IonicContact OE2-NE 2.6Å; E118-R153 PolarHBondContact OE2-NE 3.42Å; E118-R153 IonicContact OE2-NH2 3.29Å; F121-R153 HydrophobicContact CD1-CG 3.68Å; F121-R153 HydrophobicContact CD2-CB 4.27Å; F121-R153 HydrophobicContact CD2-CG 3.72Å; F121-R153 HydrophobicContact CE1-CG 3.62Å; F121-R153 HydrophobicContact CE2-CB 4.13Å; F121-R153 HydrophobicContact CE2-CG 3.68Å; F121-R153 HydrophobicContact CG-CG 3.73Å; F121-R153 HydrophobicContact CZ-CB 4.41Å; F121-R153 HydrophobicContact CZ-CG 3.63Å; W149-R153 HydrophobicContact CE3-CB 4.08Å; W149-R153 HydrophobicContact CH2-CB 4.08Å; W149-R153 HydrophobicContact CH2-CG 3.78Å; W149-R153 HydrophobicContact CZ2-CG 4.47Å; W149-R153 HydrophobicContact CZ3-CB 3.82Å; W149-R153 HydrophobicContact CZ3-CG 3.87Å; W149-R153 WeakPolarHBondContact O-CB 3.48Å; W149-R153 PolarHBondContact O-N 3.45Å; F150-R153 PolarHBondContact O-N 3.27Å; Q151-R153 VanDerWaalsContact C-N 3.32Å; Q151-R153 PolarHBondContact O-N 2.91Å; R153-K156 PolarHBondContact O-N 3.34Å; R153-Q157 PolarHBondContact O-N 2.78Å
154R97.8Very high95.5Very high56 Ų5676.4 Ų76.421%0.21137%0.37CS..Hα-helixtrans-62.1-43.9173.9-73.1-174.5-72.9130.1-0.1112.3F121 Q125 Y126 F150 Q151 K156 Q157 K158F121-R154 HydrophobicContact CE2-CG 3.74Å; F121-R154 HydrophobicContact CZ-CG 4.1Å; Q125-R154 WeakPolarHBondContact O-CD 3.34Å; Y126-R154 VanDerWaalsContact CZ-CD 3.42Å; Y126-R154 PolarHBondContact OH-NH1 2.81Å; F150-R154 WeakPolarHBondContact O-CG 3.29Å; F150-R154 PolarHBondContact O-N 3.4Å; Q151-R154 PolarHBondContact O-N 2.84Å; R154-K156 VanDerWaalsContact C-N 3.33Å; R154-K156 PolarHBondContact O-N 2.9Å; R154-Q157 PolarHBondContact O-N 2.83Å; R154-K158 PolarHBondContact O-N 3.23Å
155T97.8Very high95.1Very high83 Ų8378 Ų7851%0.50938%0.375SS..Hα-helixtrans-59.9-44.3175.2-58.10000111.3Q151 N152 K158 K159Q151-T155 PolarHBondContact O-N 2.82Å; Q151-T155 VanDerWaalsContact O-N 3.1Å; Q151-T155 PolarHBondContact O-OG1 3.15Å; Q151-T155 VanDerWaalsContact O-OG1 3.09Å; N152-T155 PolarHBondContact O-N 2.96Å; T155-K158 PolarHBondContact O-N 2.99Å; T155-K159 WeakPolarHBondContact O-CB 3.37Å; T155-K159 PolarHBondContact O-N 3.43Å
156K96.3Very high94.6Very high110 Ų11082 Ų8248%0.47839%0.393SS..Hα-helixtrans-62.9-45.8175.9-179.2177.4179.5-66.20111.6N152 R153 R154 K158 K159 D160N152-K156 WeakPolarHBondContact O-CB 3.13Å; N152-K156 PolarHBondContact O-N 3.07Å; R153-K156 PolarHBondContact O-N 3.34Å; R154-K156 VanDerWaalsContact C-N 3.33Å; R154-K156 PolarHBondContact O-N 2.9Å; K156-K158 PolarHBondContact O-N 3.31Å; K156-K159 PolarHBondContact O-N 2.99Å; K156-K159 VanDerWaalsContact O-N 3.15Å; K156-D160 WeakPolarHBondContact CG-OD2 3.5Å; K156-D160 IonicContact NZ-OD2 2.76Å; K156-D160 PolarHBondContact NZ-OD2 2.86Å; K156-D160 WeakPolarHBondContact O-CB 3.45Å; K156-D160 VanDerWaalsContact O-CG 3.24Å; K156-D160 PolarHBondContact O-N 3.19Å
157Q96.6Very high94Very high39 Ų3987.1 Ų87.118%0.18242%0.416CS..Hα-helixtrans-57.6-47176.7178.3-179-60.700111.7F121 R153 R154 K159 D160 Q161F121-Q157 VanDerWaalsContact CZ-OE1 3.25Å; R153-Q157 PolarHBondContact O-N 2.78Å; R154-Q157 PolarHBondContact O-N 2.83Å; Q157-K159 VanDerWaalsContact C-N 3.3Å; Q157-K159 PolarHBondContact O-N 2.6Å; Q157-D160 PolarHBondContact O-N 3.4Å; Q157-Q161 HydrophobicContact CG-CG 4.48Å; Q157-Q161 WeakPolarHBondContact O-CB 3.39Å; Q157-Q161 VanDerWaalsContact O-CG 3.29Å; Q157-Q161 WeakPolarHBondContact O-CG 2.95Å; Q157-Q161 PolarHBondContact O-N 3.08Å
158K96.3Very high93.5Very high161 Ų16190.9 Ų90.970%0.743%0.426SS*.Hα-helixtrans-59.7-42.4176.7-176.8177.6178.3178.70111.5R154 T155 K156 S162R154-K158 PolarHBondContact O-N 3.23Å; T155-K158 PolarHBondContact O-N 2.99Å; K156-K158 PolarHBondContact O-N 3.31Å; K158-S162 WeakPolarHBondContact O-CB 3.48Å; K158-S162 PolarHBondContact O-N 3.02Å
159K94.6Very high92.9Very high140 Ų14090.5 Ų90.561%0.60943%0.43SS*.Hα-helixtrans-65.5-42.4177.5-174.7176.3-179.7177.80112.1T155 K156 Q157 S162 R163T155-K159 WeakPolarHBondContact O-CB 3.37Å; T155-K159 PolarHBondContact O-N 3.43Å; K156-K159 PolarHBondContact O-N 2.99Å; K156-K159 VanDerWaalsContact O-N 3.15Å; Q157-K159 VanDerWaalsContact C-N 3.3Å; Q157-K159 PolarHBondContact O-N 2.6Å; K159-S162 PolarHBondContact O-N 2.97Å; K159-R163 VanDerWaalsContact O-CG 3.31Å; K159-R163 WeakPolarHBondContact O-CG 3.31Å; K159-R163 PolarHBondContact O-N 3.41Å
160D92.5Very high92.2Very high40 Ų4092.5 Ų92.521%0.21445%0.449CS..Hα-helixtrans-63.6-48.2178.8-69.1-21.1000109.9K156 Q157 S162 R163 D164K156-D160 WeakPolarHBondContact CG-OD2 3.5Å; K156-D160 IonicContact NZ-OD2 2.76Å; K156-D160 PolarHBondContact NZ-OD2 2.86Å; K156-D160 WeakPolarHBondContact O-CB 3.45Å; K156-D160 VanDerWaalsContact O-CG 3.24Å; K156-D160 PolarHBondContact O-N 3.19Å; Q157-D160 PolarHBondContact O-N 3.4Å; D160-S162 PolarHBondContact O-N 3.13Å; D160-R163 PolarHBondContact O-N 2.84Å; D160-R163 VanDerWaalsContact O-N 3.13Å; D160-R163 IonicContact OD1-NH1 3.22Å; D160-D164 PolarHBondContact O-N 2.79Å
161Q92.5Very high91.6Very high104 Ų10495.3 Ų95.349%0.48647%0.469SS..Hα-helixtrans-57.3-44.9174.9-70.9174.5-0.600112.7Q157 R163 D164 L165Q157-Q161 HydrophobicContact CG-CG 4.48Å; Q157-Q161 WeakPolarHBondContact O-CB 3.39Å; Q157-Q161 VanDerWaalsContact O-CG 3.29Å; Q157-Q161 WeakPolarHBondContact O-CG 2.95Å; Q157-Q161 PolarHBondContact O-N 3.08Å; Q161-R163 VanDerWaalsContact C-N 3.32Å; Q161-R163 PolarHBondContact O-N 3.01Å; Q161-D164 PolarHBondContact O-N 3.35Å; Q161-L165 WeakPolarHBondContact O-CD1 3.34Å; Q161-L165 WeakPolarHBondContact O-CG 3.48Å; Q161-L165 PolarHBondContact O-N 3.04Å
162S89.8Confident91Very high72 Ų7294.7 Ų94.750%0.50347%0.474SS..Hα-helixtrans-61.9-39.2177.8-1710000112.5K158 K159 D160 E166K158-S162 WeakPolarHBondContact O-CB 3.48Å; K158-S162 PolarHBondContact O-N 3.02Å; K159-S162 PolarHBondContact O-N 2.97Å; D160-S162 PolarHBondContact O-N 3.13Å; S162-E166 PolarHBondContact O-N 3.24Å; S162-E166 VanDerWaalsContact O-N 3.07Å
163R89.8Confident90.3Very high115 Ų11592.8 Ų92.843%0.43447%0.472SS..Hα-helixtrans-69.3-38.7177.8-73.3169.766.5-126.51.2111.6K159 D160 Q161 L165 E166 K167K159-R163 VanDerWaalsContact O-CG 3.31Å; K159-R163 WeakPolarHBondContact O-CG 3.31Å; K159-R163 PolarHBondContact O-N 3.41Å; D160-R163 PolarHBondContact O-N 2.84Å; D160-R163 VanDerWaalsContact O-N 3.13Å; D160-R163 IonicContact OD1-NH1 3.22Å; Q161-R163 VanDerWaalsContact C-N 3.32Å; Q161-R163 PolarHBondContact O-N 3.01Å; R163-L165 VanDerWaalsContact C-N 3.35Å; R163-E166 PolarHBondContact O-N 2.82Å; R163-K167 WeakPolarHBondContact O-CB 3.3Å; R163-K167 VanDerWaalsContact O-CG 3.24Å; R163-K167 WeakPolarHBondContact O-CG 3.07Å; R163-K167 PolarHBondContact O-N 2.86Å
164D88.1Confident89.7Confident89 Ų8994 Ų9448%0.47649%0.487SS..Hα-helixtrans-68.4-37178.4-65.4-33.7000111.5D160 Q161 R168D160-D164 PolarHBondContact O-N 2.79Å; Q161-D164 PolarHBondContact O-N 3.35Å; D164-R168 VanDerWaalsContact O-CB 3.25Å; D164-R168 WeakPolarHBondContact O-CB 3.47Å; D164-R168 PolarHBondContact O-N 2.99Å
165L88.1Confident89.1Confident124 Ų12497.5 Ų97.565%0.64951%0.506SS*.Hα-helixtrans-61.3-47.4171.1-76.9155.1000111.9Q161 R163 R168 A169Q161-L165 WeakPolarHBondContact O-CD1 3.34Å; Q161-L165 WeakPolarHBondContact O-CG 3.48Å; Q161-L165 PolarHBondContact O-N 3.04Å; R163-L165 VanDerWaalsContact C-N 3.35Å; L165-R168 PolarHBondContact O-N 2.93Å; L165-A169 VanDerWaalsContact O-CB 3.3Å; L165-A169 WeakPolarHBondContact O-CB 3.25Å; L165-A169 PolarHBondContact O-N 3.48Å
166E85.9Confident88.6Confident133 Ų13396 Ų9662%0.62150%0.502SS*.Hα-helixtrans-63.5-42.8179.2-172.1-176.294.200112.1S162 R163 A169 S170S162-E166 PolarHBondContact O-N 3.24Å; S162-E166 VanDerWaalsContact O-N 3.07Å; R163-E166 PolarHBondContact O-N 2.82Å; E166-A169 PolarHBondContact O-N 3.33Å; E166-S170 VanDerWaalsContact O-CB 3.31Å; E166-S170 WeakPolarHBondContact O-CB 3.28Å; E166-S170 PolarHBondContact O-N 2.87Å; E166-S170 PolarHBondContact O-OG 3.07Å
167K85.5Confident88.2Confident108 Ų10897.2 Ų97.247%0.4751%0.508SS..Hα-helixtrans-60.5-46.9175.1-74.2170.9178.9-173.60111.3R163 S170 S171R163-K167 WeakPolarHBondContact O-CB 3.3Å; R163-K167 VanDerWaalsContact O-CG 3.24Å; R163-K167 WeakPolarHBondContact O-CG 3.07Å; R163-K167 PolarHBondContact O-N 2.86Å; K167-S170 PolarHBondContact O-N 3.12Å; K167-S171 WeakPolarHBondContact O-CB 3.47Å; K167-S171 PolarHBondContact O-N 3.39Å; K167-S171 PolarHBondContact O-OG 2.86Å; K167-S171 VanDerWaalsContact O-OG 3.13Å
168R85.3Confident87.9Confident206 Ų20697.6 Ų97.678%0.77752%0.517SS*.Hα-helixtrans-68.6-36.8-177.9-163.2162.7168.4-169.9-4.4111.9D164 L165 S172D164-R168 VanDerWaalsContact O-CB 3.25Å; D164-R168 WeakPolarHBondContact O-CB 3.47Å; D164-R168 PolarHBondContact O-N 2.99Å; L165-R168 PolarHBondContact O-N 2.93Å; R168-S172 VanDerWaalsContact O-CB 3.28Å; R168-S172 WeakPolarHBondContact O-CB 3.37Å; R168-S172 PolarHBondContact O-N 3.45Å
169A84.9Confident87.6Confident61 Ų6193.7 Ų93.750%0.50451%0.507SS..Hα-helixtrans-66.3-42.4171.800000112.1L165 E166 S172 A173L165-A169 VanDerWaalsContact O-CB 3.3Å; L165-A169 WeakPolarHBondContact O-CB 3.25Å; L165-A169 PolarHBondContact O-N 3.48Å; E166-A169 PolarHBondContact O-N 3.33Å; A169-S172 PolarHBondContact O-N 3.44Å; A169-A173 VanDerWaalsContact O-CB 3.27Å; A169-A173 WeakPolarHBondContact O-CB 3.24Å; A169-A173 PolarHBondContact O-N 2.99Å
170S82.6Confident87.3Confident68 Ų6889.9 Ų89.948%0.47650%0.498SS..Hα-helixtrans-66.1-43.5178.3-57.50000111.8E166 K167 A173 S174E166-S170 VanDerWaalsContact O-CB 3.31Å; E166-S170 WeakPolarHBondContact O-CB 3.28Å; E166-S170 PolarHBondContact O-N 2.87Å; E166-S170 PolarHBondContact O-OG 3.07Å; K167-S170 PolarHBondContact O-N 3.12Å; S170-A173 PolarHBondContact O-N 3.29Å; S170-S174 WeakPolarHBondContact O-CB 3.38Å; S170-S174 PolarHBondContact O-N 3.13Å; S170-S174 PolarHBondContact O-OG 3.39Å
171S85.3Confident87.2Confident64 Ų6490.9 Ų90.945%0.44850%0.503SS..Hα-helixtrans-60.4-50.4173.7-65.10000111K167 A173 S174 E175K167-S171 WeakPolarHBondContact O-CB 3.47Å; K167-S171 PolarHBondContact O-N 3.39Å; K167-S171 PolarHBondContact O-OG 2.86Å; K167-S171 VanDerWaalsContact O-OG 3.13Å; S171-A173 PolarHBondContact O-N 2.96Å; S171-S174 PolarHBondContact O-N 3.22Å; S171-S174 PolarHBondContact O-OG 2.86Å; S171-E175 WeakPolarHBondContact O-CG 3.31Å; S171-E175 PolarHBondContact O-N 2.72Å
172S86Confident87.1Confident71 Ų7190.2 Ų90.250%0.49750%0.502SS..Hα-helixtrans-62.2-39.5179.2-178.40000113R168 A169 E175 A176R168-S172 VanDerWaalsContact O-CB 3.28Å; R168-S172 WeakPolarHBondContact O-CB 3.37Å; R168-S172 PolarHBondContact O-N 3.45Å; A169-S172 PolarHBondContact O-N 3.44Å; S172-E175 PolarHBondContact O-N 3Å; S172-A176 WeakPolarHBondContact O-CB 3.33Å; S172-A176 PolarHBondContact O-N 3.46Å
173A83Confident87.2Confident60 Ų6091.9 Ų91.950%0.49651%0.505SS..Hα-helixtrans-66.9-40.217600000112.2A169 S170 S171 A176 F177A169-A173 VanDerWaalsContact O-CB 3.27Å; A169-A173 WeakPolarHBondContact O-CB 3.24Å; A169-A173 PolarHBondContact O-N 2.99Å; S170-A173 PolarHBondContact O-N 3.29Å; S171-A173 PolarHBondContact O-N 2.96Å; A173-A176 PolarHBondContact O-N 2.91Å; A173-F177 WeakPolarHBondContact O-CB 3.27Å; A173-F177 PolarHBondContact O-N 2.94Å
174S86.2Confident87.1Confident71 Ų7192.2 Ų92.250%0.49751%0.506SS..Hα-helixtrans-65.4-40.4176.470.40000112.1S170 S171 F177 A178S170-S174 WeakPolarHBondContact O-CB 3.38Å; S170-S174 PolarHBondContact O-N 3.13Å; S170-S174 PolarHBondContact O-OG 3.39Å; S171-S174 PolarHBondContact O-N 3.22Å; S171-S174 PolarHBondContact O-OG 2.86Å; S174-F177 PolarHBondContact O-N 3.28Å; S174-A178 WeakPolarHBondContact O-CB 3.34Å; S174-A178 PolarHBondContact O-N 2.85Å
175E83.6Confident87.3Confident129 Ų12990.3 Ų90.360%0.60350%0.495SS*.Hα-helixtrans-64.3-49.5174.5-73.2175.1172.300110.8S171 S172 F177 A178 T179S171-E175 WeakPolarHBondContact O-CG 3.31Å; S171-E175 PolarHBondContact O-N 2.72Å; S172-E175 PolarHBondContact O-N 3Å; E175-F177 VanDerWaalsContact C-N 3.27Å; E175-F177 PolarHBondContact O-N 3.2Å; E175-A178 PolarHBondContact O-N 3.39Å; E175-A178 VanDerWaalsContact O-N 3.14Å; E175-T179 PolarHBondContact O-N 2.74Å; E175-T179 PolarHBondContact O-OG1 3.47Å
176A87.3Confident87.2Confident51 Ų5188.1 Ų88.142%0.42148%0.484SS..Hα-helixtrans-59.4-38.8178.100000112.3S172 A173 S180S172-A176 WeakPolarHBondContact O-CB 3.33Å; S172-A176 PolarHBondContact O-N 3.46Å; A173-A176 PolarHBondContact O-N 2.91Å; A176-S180 WeakPolarHBondContact O-CB 3.37Å; A176-S180 PolarHBondContact O-N 2.96Å; A176-S180 PolarHBondContact O-OG 3.14Å
177F88.3Confident87.2Confident136 Ų13689.9 Ų89.960%0.59649%0.492SS*.Hα-helixtrans-67.8-43.7175.4-175.6-96.3000112.1A173 S174 E175 S180 N181A173-F177 WeakPolarHBondContact O-CB 3.27Å; A173-F177 PolarHBondContact O-N 2.94Å; S174-F177 PolarHBondContact O-N 3.28Å; E175-F177 VanDerWaalsContact C-N 3.27Å; E175-F177 PolarHBondContact O-N 3.2Å; F177-S180 PolarHBondContact O-N 3.47Å; F177-N181 WeakPolarHBondContact O-CB 3.33Å; F177-N181 PolarHBondContact O-N 3.3Å
178A89.5Confident87.1Confident46 Ų4690.1 Ų90.138%0.3850%0.495SS..Hα-helixtrans-61.7-45.5175.900000111.3S174 E175 S180 N181 I182S174-A178 WeakPolarHBondContact O-CB 3.34Å; S174-A178 PolarHBondContact O-N 2.85Å; E175-A178 PolarHBondContact O-N 3.39Å; E175-A178 VanDerWaalsContact O-N 3.14Å; A178-S180 PolarHBondContact O-N 2.83Å; A178-N181 WeakPolarHBondContact O-CB 3.31Å; A178-N181 PolarHBondContact O-N 2.92Å; A178-I182 VanDerWaalsContact O-CG1 3.31Å; A178-I182 WeakPolarHBondContact O-CG1 3.33Å; A178-I182 PolarHBondContact O-N 3.45Å
179T90.4Very high86.5Confident79 Ų7982 Ų8249%0.48548%0.476SS..Hα-helixtrans-58.5-46.9174.3-53.10000111.2E175 N181 I182 L183E175-T179 PolarHBondContact O-N 2.74Å; E175-T179 PolarHBondContact O-OG1 3.47Å; T179-N181 VanDerWaalsContact C-N 3.29Å; T179-N181 PolarHBondContact O-N 2.91Å; T179-I182 PolarHBondContact O-N 2.93Å; T179-L183 HydrophobicContact CG2-CD1 4.21Å; T179-L183 WeakPolarHBondContact O-CG 3.39Å; T179-L183 PolarHBondContact O-N 3.45Å
180S88.3Confident85.7Confident60 Ų6087.9 Ų87.942%0.4249%0.485SS..Hα-helixtrans-62.4-36.6177.9-60.70000112.6A176 F177 A178 R184A176-S180 WeakPolarHBondContact O-CB 3.37Å; A176-S180 PolarHBondContact O-N 2.96Å; A176-S180 PolarHBondContact O-OG 3.14Å; F177-S180 PolarHBondContact O-N 3.47Å; A178-S180 PolarHBondContact O-N 2.83Å; S180-R184 PolarHBondContact O-N 3.21Å
181N90.9Very high84.5Confident61 Ų6189.2 Ų89.233%0.32649%0.486SS..Hα-helixtrans-66-49.9175.9-165.5-73.6000110.7F177 A178 T179 L183 R184 L185F177-N181 WeakPolarHBondContact O-CB 3.33Å; F177-N181 PolarHBondContact O-N 3.3Å; A178-N181 WeakPolarHBondContact O-CB 3.31Å; A178-N181 PolarHBondContact O-N 2.92Å; T179-N181 VanDerWaalsContact C-N 3.29Å; T179-N181 PolarHBondContact O-N 2.91Å; N181-L183 PolarHBondContact O-N 3.29Å; N181-R184 WeakPolarHBondContact O-CB 3.44Å; N181-R184 PolarHBondContact O-N 2.88Å; N181-R184 VanDerWaalsContact O-N 3.17Å; N181-L185 WeakPolarHBondContact O-CD1 3.44Å; N181-L185 PolarHBondContact O-N 3.35Å; N181-L185 WeakPolarHBondContact OD1-CD1 3.03Å
182I90.8Very high83.2Confident91 Ų9192.7 Ų92.747%0.46750%0.499SS..Hα-helixtrans-57-48.4178.2-67.6164.6000111A178 T179 R184 L185 L186A178-I182 VanDerWaalsContact O-CG1 3.31Å; A178-I182 WeakPolarHBondContact O-CG1 3.33Å; A178-I182 PolarHBondContact O-N 3.45Å; T179-I182 PolarHBondContact O-N 2.93Å; I182-R184 VanDerWaalsContact C-N 3.29Å; I182-R184 PolarHBondContact O-N 2.76Å; I182-L185 PolarHBondContact O-N 2.94Å; I182-L185 VanDerWaalsContact O-N 3.14Å; I182-L186 HydrophobicContact CG2-CD1 3.97Å; I182-L186 HydrophobicContact CG2-CG 4.39Å; I182-L186 WeakPolarHBondContact O-CG 3.36Å; I182-L186 PolarHBondContact O-N 3.3Å
183L91.7Very high81.6Confident107 Ų10793.7 Ų93.756%0.5651%0.506SS*.Hα-helixtrans-57.5-42.1178.7-70.7173.5000112T179 N181 L186 E187T179-L183 HydrophobicContact CG2-CD1 4.21Å; T179-L183 WeakPolarHBondContact O-CG 3.39Å; T179-L183 PolarHBondContact O-N 3.45Å; N181-L183 PolarHBondContact O-N 3.29Å; L183-L186 PolarHBondContact O-N 2.92Å; L183-E187 PolarHBondContact O-N 3.38Å
184R88.6Confident80.3Confident122 Ų12296.6 Ų96.646%0.4652%0.517SS..Hα-helixtrans-65-39.8176.6-170.9-174.8-55.8144.36.5112.7S180 N181 I182 L186 E187 Q188S180-R184 PolarHBondContact O-N 3.21Å; N181-R184 WeakPolarHBondContact O-CB 3.44Å; N181-R184 PolarHBondContact O-N 2.88Å; N181-R184 VanDerWaalsContact O-N 3.17Å; I182-R184 VanDerWaalsContact C-N 3.29Å; I182-R184 PolarHBondContact O-N 2.76Å; R184-L186 VanDerWaalsContact C-N 3.34Å; R184-E187 PolarHBondContact O-N 3.14Å; R184-Q188 VanDerWaalsContact O-CG 3.27Å; R184-Q188 WeakPolarHBondContact O-CG 3.03Å; R184-Q188 PolarHBondContact O-N 2.98Å
185L90.6Very high78.7Confident48 Ų4898.8 Ų98.825%0.25153%0.53SS..Hα-helixtrans-69.1-35.1177.4-8782.8000112.2N181 I182 Q188 G189 R190 L191N181-L185 WeakPolarHBondContact O-CD1 3.44Å; N181-L185 PolarHBondContact O-N 3.35Å; N181-L185 WeakPolarHBondContact OD1-CD1 3.03Å; I182-L185 PolarHBondContact O-N 2.94Å; I182-L185 VanDerWaalsContact O-N 3.14Å; L185-Q188 PolarHBondContact O-N 3.33Å; L185-G189 PolarHBondContact O-N 2.99Å; L185-R190 PolarHBondContact O-N 3.41Å; L185-R190 VanDerWaalsContact O-N 3.1Å; L185-L191 HydrophobicContact CB-CD1 3.93Å; L185-L191 HydrophobicContact CB-CG 3.9Å; L185-L191 HydrophobicContact CD2-CD1 4.49Å; L185-L191 HydrophobicContact CD2-CD2 3.94Å; L185-L191 HydrophobicContact CD2-CG 4.19Å
186L87.2Confident77Confident79 Ų79103.5 Ų103.541%0.41454%0.542SS..Hα-helixtrans-64.2-45.1173.4-69.7170.8000110.8I182 L183 R184 Q188 G189 L191I182-L186 HydrophobicContact CG2-CD1 3.97Å; I182-L186 HydrophobicContact CG2-CG 4.39Å; I182-L186 WeakPolarHBondContact O-CG 3.36Å; I182-L186 PolarHBondContact O-N 3.3Å; L183-L186 PolarHBondContact O-N 2.92Å; R184-L186 VanDerWaalsContact C-N 3.34Å; L186-Q188 VanDerWaalsContact C-N 3.31Å; L186-Q188 PolarHBondContact O-N 2.98Å; L186-G189 PolarHBondContact O-N 2.86Å; L186-G189 VanDerWaalsContact O-N 3.09Å; L186-L191 HydrophobicContact CD2-CB 4.08Å; L186-L191 HydrophobicContact CD2-CD1 4.03Å; L186-L191 HydrophobicContact CG-CD1 4.21Å
187E84.6Confident75.3Confident169 Ų169104.6 Ų104.679%0.7955%0.551SS**Hα-helixtrans-59.3-39.8175.4-175.7-179.9-16700112.4L183 R184 G189L183-E187 PolarHBondContact O-N 3.38Å; R184-E187 PolarHBondContact O-N 3.14Å; E187-G189 PolarHBondContact O-N 3.03Å
188Q83.4Confident73.5Confident113 Ų113103.4 Ų103.453%0.52856%0.558SS.*THydrogen-bonded Turntrans-76.80.4178.1-67.9174-300114R184 L185 L186 R190R184-Q188 VanDerWaalsContact O-CG 3.27Å; R184-Q188 WeakPolarHBondContact O-CG 3.03Å; R184-Q188 PolarHBondContact O-N 2.98Å; L185-Q188 PolarHBondContact O-N 3.33Å; L186-Q188 VanDerWaalsContact C-N 3.31Å; L186-Q188 PolarHBondContact O-N 2.98Å; Q188-R190 HydrophobicContact CB-CG 3.98Å; Q188-R190 PolarHBondContact O-N 2.97Å; Q188-R190 VanDerWaalsContact O-N 3.16Å
189G73.5Confident71.4Confident37 Ų37106.6 Ų106.638%0.38158%0.577SS.*THydrogen-bonded Turntrans66.113.2-177.900000114.4L185 L186 E187 S193L185-G189 PolarHBondContact O-N 2.99Å; L186-G189 PolarHBondContact O-N 2.86Å; L186-G189 VanDerWaalsContact O-N 3.09Å; E187-G189 PolarHBondContact O-N 3.03Å; G189-S193 PolarHBondContact O-N 3.17Å
190R67.5Low69.3Low183 Ų183110 Ų11069%0.69159%0.591SS**SBendtrans-80-17.3-173.8-68.4-168.870.1171.82114.2L185 Q188L185-R190 PolarHBondContact O-N 3.41Å; L185-R190 VanDerWaalsContact O-N 3.1Å; Q188-R190 HydrophobicContact CB-CG 3.98Å; Q188-R190 PolarHBondContact O-N 2.97Å; Q188-R190 VanDerWaalsContact O-N 3.16Å
191L58.4Low67.5Low96 Ų96114.7 Ų114.750%0.50361%0.611SS.*SBendtrans-97.7-11.9175.2-63.5-179.4000113.8L185 L186L185-L191 HydrophobicContact CB-CD1 3.93Å; L185-L191 HydrophobicContact CB-CG 3.9Å; L185-L191 HydrophobicContact CD2-CD1 4.49Å; L185-L191 HydrophobicContact CD2-CD2 3.94Å; L185-L191 HydrophobicContact CD2-CG 4.19Å; L186-L191 HydrophobicContact CD2-CB 4.08Å; L186-L191 HydrophobicContact CD2-CD1 4.03Å; L186-L191 HydrophobicContact CG-CD1 4.21Å
192L56.9Low65.1Low137 Ų137116.1 Ų116.172%0.71763%0.631SS**SBendtrans-106.21.6178.7-63.3177.2000113V194L192-V194 PolarHBondContact O-N 3.22Å
193S53.3Low62.9Low93 Ų93120 Ų12065%0.6565%0.652SS**  trans-76.489.4171.8-170.10000109.5G189G189-S193 PolarHBondContact O-N 3.17Å
194V56.2Low60.4Low120 Ų120121.5 Ų121.573%0.72767%0.666SS**  trans-52.5125.6161.7174.40000107.2L192 R196L192-V194 PolarHBondContact O-N 3.22Å; V194-R196 PolarHBondContact O-N 3.09Å
195P51.8Low58.6Low117 Ų117121.3 Ų121.376%0.7668%0.68SS**  trans-57.4109.6169.7-1930.1000107.5A197P195-A197 VanDerWaalsContact C-N 3.35Å; P195-A197 PolarHBondContact O-N 3.26Å
196R47.8Very low56.2Low228 Ų228124.5 Ų124.586%0.8671%0.706SS**  trans-60.1102.3171.9179.2100.876.186.71106.4V194V194-R196 PolarHBondContact O-N 3.09Å
197A52.1Low54.2Low74 Ų74128.8 Ų128.861%0.61273%0.729SS**  trans-54.1136.5170.100000108.6P195 S199P195-A197 VanDerWaalsContact C-N 3.35Å; P195-A197 PolarHBondContact O-N 3.26Å; A197-S199 PolarHBondContact O-N 3.36Å; A197-S199 VanDerWaalsContact O-N 3.11Å
198P50.5Low52.7Low112 Ų112126.2 Ų126.273%0.72773%0.727SS**  trans-64.3116.7176.526.8-32000108.5L200P198-L200 PolarHBondContact O-N 3.44Å; P198-L200 VanDerWaalsContact O-N 3.09Å
199S45.7Very low50.4Low112 Ų112124.8 Ų124.878%0.78374%0.743SS**  trans-63.6108.5175.9-56.70000109.7A197A197-S199 PolarHBondContact O-N 3.36Å; A197-S199 VanDerWaalsContact O-N 3.11Å
200L45.3Very low48.8Very low151 Ų151131.1 Ų131.179%0.79177%0.767SS**  trans-89.2109.3169.6-63.4-171.1000110.1P198P198-L200 PolarHBondContact O-N 3.44Å; P198-L200 VanDerWaalsContact O-N 3.09Å
201L50.1Low48.2Very low159 Ų159127.8 Ų127.883%0.83277%0.769SS**  trans60.5122.3144-50.4-179.8000121.2
202A40.4Very low47.1Very low91 Ų91128 Ų12875%0.75279%0.785SS**  trans-175.389.6135.600000109.4
203L45.4Very low46.2Very low171 Ų171126.8 Ų126.890%0.89579%0.788SS**  46.3100101-76.3162.8000115.4
204T39.7Very low45.9Very low139 Ų139130.6 Ų130.685%0.85380%0.795SS**  trans-139.5135.314962.30000109.2
205P49.9Very low45.1Very low119 Ų119137 Ų13777%0.77381%0.806SS**  trans-99.9152.5-176.236.3-30000112.7
206S40.2Very low44.4Very low114 Ų114134.2 Ų134.280%0.79780%0.798SS**  trans15197.1132.3-62.10000114.1
207L45.8Very low44.1Very low169 Ų169130.2 Ų130.289%0.88580%0.8SS**  41.7165.2124.5-128.678.1000123.2
208P52.6Low43.5Very low116 Ų116131.9 Ų131.975%0.75381%0.806SS**  -123.4169.1-76.337.8-22.2000114.3
209G35.2Very low43.3Very low83 Ų83134.7 Ų134.786%0.85682%0.815SS**  trans174.196.6163.600000115.2
210L39.7Very low42.9Very low169 Ų169132.7 Ų132.789%0.88581%0.811SS**  trans-82-178.3169.2-81.8157.3000110.9
211P55.7Low42.9Very low113 Ų113132 Ų13273%0.73481%0.809SS**  cis-134.4170.8-38.534-16.9000112.5
212A35.4Very low43.1Very low102 Ų102130.3 Ų130.384%0.84381%0.807SS**  trans-169127.6141.200000113.1
213S37.6Very low42.9Very low111 Ų111136.9 Ų136.978%0.77681%0.812SS**  trans-85.3136.9-178.2173.70000113.1
214H45.9Very low42.5Very low172 Ų172135.8 Ų135.880%0.79681%0.807SS**  trans169110.9137.649.8-94.3000110.3
215R40.3Very low42.3Very low255 Ų255133.8 Ų133.896%0.96280%0.799SS**  70.9121.883.6-158.3-177.3-165.4-161.64.5115.7
216G36.2Very low41.9Very low58 Ų58133.5 Ų133.560%0.59880%0.8SS**  trans118.5107.5150.300000114.9
217T42.4Very low42.5Very low145 Ų145133.6 Ų133.689%0.8980%0.798SS**  84.1138.174.747.30000116.6
218S38.7Very low42.2Very low108 Ų108137.5 Ų137.576%0.75580%0.801SS**  trans87.7110.9157.1-114.80000117.3
219L46.8Very low41.8Very low172 Ų172139.9 Ų139.990%0.90181%0.806SS**  76.6118.576.8-167.675.2000111.6
220G38.8Very low42.3Very low69 Ų69143.5 Ų143.571%0.71181%0.806SS**  trans179.176.117500000112.6
221D44.1Very low42.6Very low138 Ų138141.1 Ų141.174%0.73880%0.801SS**  trans-55.8148.3153.3-137.8-82.3000108.8R223D221-R223 PolarHBondContact OD1-N 3.4Å
222P53.7Low41.9Very low122 Ų122142.9 Ų142.979%0.79280%0.803SS**  -145.4125.5121.330.1-11.8000114.3
223R37.9Very low42.4Very low230 Ų230144 Ų14487%0.86880%0.802SS**  trans-71.1124.2141.6-64.8164.667.6-1593.1108.7D221D221-R223 PolarHBondContact OD1-N 3.4Å
224N35.4Very low42.6Very low147 Ų147143.9 Ų143.979%0.78680%0.801SS**  trans-171.6132.9134-154.111.7000114.3
225S36.8Very low42.3Very low98 Ų98140.4 Ų140.469%0.68580%0.802SS**  trans74.5100.7143.7-70.90000122.3
226S40.5Very low42.7Very low113 Ų113134.2 Ų134.279%0.7980%0.798SS**  trans-38.8-167.9150.6-43.40000117.5
227P53.5Low43Very low115 Ų115136 Ų13675%0.74781%0.807SS**  -128.4159.5-64.634.8-17.9000111.2
228R38.3Very low43.3Very low251 Ų251134.2 Ų134.295%0.94780%0.8SS**  trans-136.1119160.4-86.1-168.3162.5-109.3-1111.5
229L45.4Very low44.5Very low166 Ų166134.6 Ų134.687%0.86980%0.8SS**  trans-66.3137.4171.3-61167.3000109.3
230N45Very low45.1Very low159 Ų159132.5 Ų132.585%0.8580%0.797SS**  trans-137.4145.1156.2-92.6-16000109.9
231P47Very low46.1Very low119 Ų119137 Ų13777%0.77380%0.804SS**  trans-93.9167.1-163.84.118.7000112.9
232L40.2Very low47.1Very low150 Ų150135.8 Ų135.879%0.78580%0.804SS**  trans-29.6156.1169.5-107.773000116.1
233P46.3Very low47.9Very low125 Ų125135.4 Ų135.481%0.81280%0.801SS**  -125.5137.7116.834.1-26.9000113
234S40.7Very low49.2Very low110 Ų110130.5 Ų130.577%0.76980%0.799SS**  trans-59.1129.5162.1-76.20000110.7
235A41Very low50.4Low99 Ų99131.2 Ų131.282%0.81880%0.802SS**  trans-145.7115.5152.800000109.2A237A235-A237 PolarHBondContact O-N 3.42Å
236S47.3Very low51.3Low125 Ų125132.1 Ų132.187%0.87481%0.805SS**  trans-55.4123.5166.8176.50000110.6
237A44.2Very low51.8Low94 Ų94131.1 Ų131.178%0.77780%0.804SS**  trans-155.5112.6160.200000109.4A235A235-A237 PolarHBondContact O-N 3.42Å
238S48.8Very low51.5Low108 Ų108132 Ų13276%0.75581%0.807SS**PPolyproline II helixtrans-57.1145.5172.2-56.90000111.8
239P62.7Low51.8Low117 Ų117125.7 Ų125.776%0.7680%0.8SS**PPolyproline II helixtrans-73.8144.7173.630.6-32.8000111
240P58.7Low51.8Low127 Ų127128 Ų12883%0.82580%0.803SS**PPolyproline II helixtrans-76.2145.117830.7-32.8000112.1
241L61.5Low51.6Low165 Ų165125.6 Ų125.686%0.86480%0.799SS**PPolyproline II helixtrans-67.3152173.8-80.2117.9000112.5
242P65.1Low51.9Low112 Ų112125.6 Ų125.673%0.72780%0.802SS**PPolyproline II helixtrans-75.8154.8174.731.7-34.4000112.8
243P70.3Confident52.1Low114 Ų114122.6 Ų122.674%0.7480%0.799SS**PPolyproline II helixtrans-74.6153.8-179.631.1-35.1000112.8
244P65.6Low52.3Low126 Ų126122.2 Ų122.282%0.81880%0.796SS**PPolyproline II helixtrans-76143.117831.3-33.5000112.1
245L59.5Low52.7Low162 Ų162124.1 Ų124.185%0.84880%0.797SS**PPolyproline II helixtrans-71.9148.5175.3-61.7173.9000111.3
246P56.5Low53.2Low117 Ų117128 Ų12876%0.7680%0.803SS**PPolyproline II helixtrans-70.5139.318028.8-33.8000112.1V248P246-V248 PolarHBondContact O-N 3.11Å
247A49.8Very low52.9Low92 Ų92128.3 Ų128.376%0.7680%0.795SS**PPolyproline II helixtrans-61.8123.7175.100000110.9C249A247-C249 PolarHBondContact O-N 2.89Å
248V47.1Very low53Low134 Ų134130.7 Ų130.781%0.81279%0.794SS**  trans-76.4103.5167.4-72.40000108.6P246 F250P246-V248 PolarHBondContact O-N 3.11Å; V248-F250 PolarHBondContact O-N 3.09Å
249C45.9Very low52.9Low119 Ų119130.7 Ų130.780%0.80479%0.791SS**  trans-66.6111.9168.8-63.80000108.9A247 S251A247-C249 PolarHBondContact O-N 2.89Å; C249-S251 PolarHBondContact O-N 3.05Å; C249-S251 VanDerWaalsContact O-N 3.08Å
250F44.6Very low52.1Low214 Ų214130.1 Ų130.194%0.93980%0.797SS**  trans-71.194.8163.4-114.2-93.9000107.8V248V248-F250 PolarHBondContact O-N 3.09Å
251S40.6Very low51.5Low109 Ų109127.8 Ų127.876%0.76280%0.796SS**  trans-100.1109.9168.8-161.40000108.8C249C249-S251 PolarHBondContact O-N 3.05Å; C249-S251 VanDerWaalsContact O-N 3.08Å
252S53.9Low50.9Low118 Ų118130.7 Ų130.783%0.82580%0.797SS**  trans-71.2126.6166.5178.20000108.8
253A44.3Very low50.1Low87 Ų87133.8 Ų133.872%0.71980%0.801SS**  trans-151.6150.5158.100000110.8
254P49.6Very low49.1Very low117 Ų117136.1 Ų136.176%0.7681%0.807SS**  trans-103.8159.1-154.536.5-26.1000114.5
255L49.6Very low47.8Very low151 Ų151133.4 Ų133.479%0.79180%0.802SS**  trans34.2107139.3-146169.5000117.5
256L51.8Low47.6Very low179 Ų179131.7 Ų131.794%0.93780%0.803SS**  trans-133.6131.8146.7-75.6-179000110.9
257D41.8Very low47Very low133 Ų133131.7 Ų131.771%0.71181%0.806SS**  trans-75.7137.417517742.6000111
258L44.4Very low47.1Very low144 Ų144131.9 Ų131.975%0.75481%0.808SS**  trans165.2166.7137.6-11877.5000113.2
259P48.6Very low47Very low107 Ų107134.8 Ų134.870%0.69581%0.81SS**  -124.3175.6-104.940.8-22.8000115
260A46.1Very low47.2Very low106 Ų106138 Ų13888%0.87681%0.813SS**  trans35.4116.4149.200000120.1
261G45.5Very low47.6Very low78 Ų78133 Ų13380%0.80480%0.802SS**  trans120.681.214300000115.7
262Y48.6Very low47.9Very low226 Ų226138.9 Ų138.989%0.88681%0.809SS**  trans-152.7115.6137.366.2-82000109.8
263E48.7Very low47.7Very low177 Ų177137.3 Ų137.383%0.82780%0.798SS**  trans-70.7161.9161.7-86-79.114100110
264L49.7Very low47.9Very low162 Ų162145.2 Ų145.285%0.84881%0.81SS**  trans89.7104.2160.8-130.172000118.2
265G38.2Very low48Very low70 Ų70146.3 Ų146.372%0.72281%0.809SS**  trans179.773.5165.300000111.8S267G265-S267 PolarHBondContact O-N 3.16Å; G265-S267 VanDerWaalsContact O-N 3.07Å
266S53.8Low47.8Very low126 Ų126147.2 Ų147.288%0.88181%0.809SS**  trans-44.6109.6173.4-54.30000112
267S45.1Very low47.3Very low116 Ų116150.8 Ų150.881%0.81181%0.81SS**  trans-97.2116.9172.4-173.30000109.9G265 F269G265-S267 PolarHBondContact O-N 3.16Å; G265-S267 VanDerWaalsContact O-N 3.07Å; S267-F269 VanDerWaalsContact C-N 3.31Å; S267-F269 PolarHBondContact O-N 3.45Å
268A52.1Low47.6Very low97 Ų97152.6 Ų152.680%0.80281%0.811SS**  trans-75.863.3-169.200000114.1
269F43.6Very low47.5Very low195 Ų195152.5 Ų152.586%0.85582%0.816SS**  trans-142.174.2167.1-121.8-93.5000110.3S267S267-F269 VanDerWaalsContact C-N 3.31Å; S267-F269 PolarHBondContact O-N 3.45Å
270E50.7Low47.1Very low185 Ų185150.6 Ų150.686%0.86482%0.816SS**  trans-66.5126.1159.7-91.3-162120.700108.9Y272E270-Y272 PolarHBondContact O-N 2.69Å
271P52.5Low46.8Very low111 Ų111151.3 Ų151.372%0.72182%0.815SS**  trans-74.2125.9171.430.6-29.1000107.8S273P271-S273 PolarHBondContact O-N 3.1Å
272Y46.8Very low46.7Very low231 Ų231152.6 Ų152.691%0.90682%0.817SS**  trans-54.5100.6171.5-101.2-90.3000110.3E270 W274E270-Y272 PolarHBondContact O-N 2.69Å; Y272-W274 PolarHBondContact O-N 3.31Å
273S50Low46.2Very low85 Ų85145.2 Ų145.259%0.59481%0.81SS**  trans-63.2115.2159.949.10000107.9P271 L275P271-S273 PolarHBondContact O-N 3.1Å; S273-L275 VanDerWaalsContact C-N 3.3Å; S273-L275 PolarHBondContact O-N 2.75Å; S273-L275 WeakPolarHBondContact OG-CD1 3.27Å
274W48.1Very low45.9Very low253 Ų253143.3 Ų143.396%0.95882%0.816SS**  trans-59.994.3163.6-101.269.4000108.2Y272 E276Y272-W274 PolarHBondContact O-N 3.31Å; W274-E276 PolarHBondContact O-N 3.5Å
275L51.5Low45.5Very low141 Ų141139.1 Ų139.174%0.73881%0.812SS**  trans-68.9120.2171.8-99.276.8000109.3S273 R277S273-L275 VanDerWaalsContact C-N 3.3Å; S273-L275 PolarHBondContact O-N 2.75Å; S273-L275 WeakPolarHBondContact OG-CD1 3.27Å; L275-R277 PolarHBondContact O-N 3.37Å
276E45.6Very low46.1Very low169 Ų169145.6 Ų145.679%0.7982%0.82SS**  trans-35.9127.4154.6-78.5-131.1102.300111.9W274W274-E276 PolarHBondContact O-N 3.5Å
277R41.7Very low45.6Very low254 Ų254149.1 Ų149.196%0.95882%0.82SS**  trans-10591.3158.6-163.2-178.7-62.1-129.30.7107.6L275L275-R277 PolarHBondContact O-N 3.37Å
278K49Very low45.8Very low172 Ų172148 Ų14875%0.74882%0.818SS**  trans-122.3109.8166.2-171.3142.7-177.9174.80110.8
279V42.6Very low45.2Very low142 Ų142151 Ų15186%0.86182%0.821SS**  trans-145.8105.1153.9167.50000102.4
280G39.7Very low45.8Very low66 Ų66151.2 Ų151.268%0.6884%0.838SS**  69.2127.27500000108.8
281S39.4Very low45.5Very low122 Ų122149.5 Ų149.585%0.85384%0.837SS**  cis-176.3170.118-177.80000107.6
282A43.8Very low45.1Very low104 Ų104151.5 Ų151.586%0.8684%0.843SS**  trans75.7133.616800000116.9
283G38.1Very low45Very low71 Ų71147.1 Ų147.173%0.73284%0.839SS**  cis153.1132.25.600000109
284S41.9Very low44.7Very low137 Ų137150.8 Ų150.896%0.95885%0.854SS**  trans62.7131154.3-154.80000120.7
285G40.8Very low44.5Very low74 Ų74144.4 Ų144.476%0.76385%0.847SS**  trans154.566.9155.900000117.5
286K50.4Low44.1Very low206 Ų206144.6 Ų144.690%0.89685%0.854SS**  trans-59129.8158.2-69.9160.3119.8178.60110.2
287K43.3Very low44Very low200 Ų200142.9 Ų142.987%0.8786%0.859SS**  trans-158.6110.8141.4-61.9-164179.31790106.3
288A50.6Low44.1Very low94 Ų94134.3 Ų134.378%0.77785%0.851SS**  59.3105.167.100000113.4
289N39.4Very low43.7Very low160 Ų160131.2 Ų131.286%0.85686%0.86SS**  trans41.7108.1134.4-158.144.7000118.6
290T54.8Low43.8Very low198 Ų198130.2 Ų130.2100%1.21586%0.86SS**  -166.20105-149.30000110.6

Retrieved 290 of 290 residues in 220.8 ms (Link to these results)