A0A077ZF82_TRITR Loading...

Rab 3A interacting protein

AlphaFold DB , UniProt , Accession A0A077ZF82, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 481 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
1M33.6Very low34.3Very low232 Ų232141.6 Ų141.6100%1.14372%0.718SS**  076.70-85.3-165.1171.200105.3
2D32.2Very low34.5Very low162 Ų162138.4 Ų138.487%0.86671%0.714SS**  trans-117.894.7-167-68.5-77.4000108
3G34.6Very low34.4Very low63 Ų63133.9 Ų133.965%0.64971%0.71SS**  trans-80.7120.9168.400000109.3R5G3-R5 PolarHBondContact O-N 2.98Å
4D35.6Very low34.2Very low131 Ų131133.6 Ų133.670%0.70172%0.719SS**  trans1.375.9167-60.8-23000116.3W6D4-W6 PolarHBondContact O-N 3.36Å
5R33.3Very low34.4Very low144 Ų144135.1 Ų135.154%0.54373%0.725SS.*  trans-82.3100.4166-176.5176.1-121.5-179.1-0.7108.1G3 R7 E319G3-R5 PolarHBondContact O-N 2.98Å; R5-R7 VanDerWaalsContact C-N 3.34Å; R5-R7 PolarHBondContact O-N 3.36Å; R5-E319 IonicContact NE-OE1 3.88Å; R5-E319 IonicContact NH2-OE1 3.91Å
6W40.9Very low34.3Very low203 Ų203130.5 Ų130.577%0.76972%0.719SS**  trans-68.394.1167.4-73.287.2000109D4D4-W6 PolarHBondContact O-N 3.36Å
7R35.6Very low34Very low152 Ų152132.4 Ų132.457%0.57473%0.728SS**  trans-97.2117.7163.8-129.1-169.5-78.9-123.310.8106.8R5 G9R5-R7 VanDerWaalsContact C-N 3.34Å; R5-R7 PolarHBondContact O-N 3.36Å; R7-G9 PolarHBondContact O-N 3.44Å
8A33.7Very low34.1Very low61 Ų61134.9 Ų134.950%0.50473%0.734SS.*SBendtrans-70.181.5170.900000108.9
9G30.1Very low34Very low51 Ų51136.5 Ų136.553%0.52674%0.741SS.*  trans163.579.2-175.400000110.5R7R7-G9 PolarHBondContact O-N 3.44Å
10F36.7Very low34Very low179 Ų179138 Ų13879%0.78575%0.748SS**  trans-120.4123.3164.1-115-92.5000107.5
11E31.1Very low34Very low180 Ų180140 Ų14084%0.84175%0.753SS**PPolyproline II helixtrans-54.7134.6166.1-74.1175.2138.400109.2A13E11-A13 PolarHBondContact O-N 3.35Å
12P36.6Very low33.9Very low103 Ų103136.4 Ų136.467%0.66973%0.733SS**PPolyproline II helixtrans-70130.717527.4-30.3000109.8
13A33.5Very low33.7Very low80 Ų80140.1 Ų140.166%0.66174%0.736SS**PPolyproline II helixtrans-53.5145.1166.200000110.2E11 I15E11-A13 PolarHBondContact O-N 3.35Å; A13-I15 PolarHBondContact O-N 2.97Å
14P32Very low33.7Very low129 Ų129144 Ų14484%0.83874%0.741SS**  trans-67.5111.4179.928.1-31.3000108.8G16P14-G16 PolarHBondContact O-N 3.37Å
15I37.1Very low33.6Very low156 Ų156144.8 Ų144.880%0.874%0.744SS**  trans-70.8111.7168.3-61.1172.5000106A13 N17A13-I15 PolarHBondContact O-N 2.97Å; I15-N17 PolarHBondContact O-N 3.28Å
16G32.4Very low33.3Very low62 Ų62145.8 Ų145.864%0.63976%0.76SS**  trans-57.4131.4172.600000110.1P14 E18P14-G16 PolarHBondContact O-N 3.37Å; G16-E18 PolarHBondContact O-N 2.87Å; G16-E18 VanDerWaalsContact O-N 3.13Å
17N28.4Very low33Very low162 Ų162140.8 Ų140.887%0.86676%0.762SS**  trans-66.8103.2172.3-65.3-47.3000109I15I15-N17 PolarHBondContact O-N 3.28Å
18E36Very low32.8Very low178 Ų178142 Ų14283%0.83278%0.775SS**  trans-129.1140.4155-67.5-172.6146.100106.4G16G16-E18 PolarHBondContact O-N 2.87Å; G16-E18 VanDerWaalsContact O-N 3.13Å
19D33.5Very low32.8Very low165 Ų165145 Ų14588%0.88279%0.787SS**  trans90.158.9-178.1-48.3-23.5000116.6
20L32.7Very low33Very low166 Ų166148.5 Ų148.587%0.86980%0.803SS**  trans-116.978.5156-117.8162.1000108.1
21E33.7Very low32.9Very low181 Ų181143 Ų14385%0.84680%0.796SS**  trans-123.9105.6161.6-82.2-159161.200111.4
22H31.7Very low33Very low157 Ų157143.2 Ų143.273%0.72780%0.797SS**  trans58.399.9132.7-87.4-92.8000119.9
23Y29.5Very low32.9Very low240 Ų240142.5 Ų142.594%0.94180%0.795SS**  trans-130.7101.6137.7-106.9-91000108.8
24L33.8Very low33Very low143 Ų143144.2 Ų144.275%0.74980%0.801SS**  trans-129.199.6166.6-103.3165.6000108.3
25I33.5Very low33.1Very low149 Ų149143.6 Ų143.676%0.76480%0.8SS**  trans36117.1136.6-52.6175.7000117.6
26D26.7Very low32.9Very low164 Ų164139.6 Ų139.688%0.87780%0.797SS**  trans-54.5132166.9-61.7-58.9000113.4
27A34.7Very low33Very low99 Ų99146.2 Ų146.282%0.81881%0.811SS**  trans-146.899.4156.800000110.4
28E32Very low33Very low178 Ų178147.8 Ų147.883%0.83281%0.805SS**  trans9.1124.2150.5-62.2-175.1154.900121
29T33.5Very low33Very low124 Ų124147.4 Ų147.476%0.76181%0.807SS**  81.5115.2129.458.70000122.1
30S34.4Very low32.7Very low124 Ų124146.2 Ų146.287%0.86780%0.796SS**  trans95.8120.7131.3760000119.6
31G33.7Very low32.7Very low62 Ų62141.7 Ų141.764%0.63979%0.79SS**  trans119.795.5132.800000117.5
32H34.5Very low32.7Very low186 Ų186141 Ų14186%0.86179%0.787SS**  trans65.6147.3143.5-63.3-63.3000119.2
33S33.8Very low32.6Very low88 Ų88140.7 Ų140.762%0.61579%0.787SS**  cis175.1131-17.3-94.20000103.6
34S34.8Very low32.5Very low115 Ų115135.4 Ų135.480%0.80477%0.774SS**  trans68138.1152.1-47.50000116.4
35S35.1Very low32.3Very low117 Ų117133.8 Ų133.882%0.81877%0.771SS**  cis-17915138.825.70000109.7
36G32.1Very low32Very low71 Ų71137.7 Ų137.773%0.73278%0.776SS**  trans20141.3154.700000121.4
37Q35.4Very low32.3Very low201 Ų201138.7 Ų138.794%0.93978%0.775SS**  -165149.859.1-92.7169.7-46.400112.3
38R28.8Very low32.4Very low195 Ų195143.7 Ų143.774%0.73678%0.779SS**  trans-82.5136.1176.8179.4-175.4-163.4166.12.6110.8E40R38-E40 IonicContact CZ-OE1 2.84Å; R38-E40 IonicContact NE-OE1 3.62Å; R38-E40 PolarHBondContact NE-OE1 3.47Å; R38-E40 IonicContact NH2-OE1 3.25Å; R38-E40 PolarHBondContact NH2-OE1 2.88Å
39I35.5Very low32.4Very low171 Ų171142 Ų14288%0.87778%0.775SS**  trans-134.2109.6154.2-58.6-178.5000107.7
40E27.4Very low32.4Very low139 Ų139145.2 Ų145.265%0.6578%0.781SS**  trans-80.3147.8163.8-77.9168.6175.100109.3R38R38-E40 IonicContact CZ-OE1 2.84Å; R38-E40 IonicContact NE-OE1 3.62Å; R38-E40 PolarHBondContact NE-OE1 3.47Å; R38-E40 IonicContact NH2-OE1 3.25Å; R38-E40 PolarHBondContact NH2-OE1 2.88Å
41G32.8Very low32.4Very low71 Ų71148 Ų14873%0.73278%0.778SS**  trans-179.969.3177.100000115.1
42H33.1Very low32.3Very low168 Ų168154.5 Ų154.578%0.77879%0.789SS**  trans29.9125.4137.8-84-89000122.1
43M28.7Very low31.9Very low149 Ų149150 Ų15073%0.73478%0.776SS**  64.2124126.9-93.5168.370.700121.5
44L29.1Very low31.6Very low129 Ų129153.5 Ų153.568%0.67579%0.787SS**  trans88.7113.8137.7-68.1172.1000119.5
45T28.2Very low31.3Very low110 Ų110153.3 Ų153.368%0.67578%0.784SS**  88.1117.413055.50000120.3
46R27.4Very low31.1Very low230 Ų230152.2 Ų152.287%0.86878%0.776SS**  trans83.1148.4133.6-76.8177.1162.7160.3-4.8118.2
47E33.9Very low30.8Very low186 Ų186157.2 Ų157.287%0.86978%0.781SS**  trans81.3113.9-179.6-55.4-175.9138.100113.1
48K36.3Very low30.8Very low204 Ų204152.7 Ų152.789%0.88778%0.778SS**  -144.1131.850.2-74.7171174.9175.30112.8E50K48-E50 PolarHBondContact O-N 3.46Å
49D32.9Very low30.9Very low141 Ų141149.2 Ų149.275%0.75478%0.778SS**  trans-53.5123.5155.8-74.2-71.1000110.8
50E33.1Very low30.9Very low192 Ų192145.9 Ų145.990%0.89777%0.771SS**  trans-120.173.4146.4-110.8-173.215600107.6K48 K52K48-E50 PolarHBondContact O-N 3.46Å; E50-K52 PolarHBondContact O-N 3.1Å
51K34.3Very low31.1Very low182 Ų182145.2 Ų145.279%0.79177%0.771SS**  trans-68.9106.4150.9-84.8-179.9177.2173.20106.7P53K51-P53 VanDerWaalsContact O-CD 3.23Å; K51-P53 WeakPolarHBondContact O-CD 3.25Å
52K32Very low31Very low200 Ų200150.6 Ų150.687%0.8778%0.777SS**  trans-97.9100.7159.5-158.8175.8-169.2-178.90107.8E50E50-K52 PolarHBondContact O-N 3.1Å
53P26.3Very low31Very low92 Ų92148.4 Ų148.460%0.59778%0.779SS**  trans-95161.5166.238.9-32.1000109.8K51K51-P53 VanDerWaalsContact O-CD 3.23Å; K51-P53 WeakPolarHBondContact O-CD 3.25Å
54L27Very low31.2Very low160 Ų160150 Ų15084%0.83879%0.785SS**  trans78150.1161.7-88.978.7000119.6
55C29Very low31.4Very low111 Ų111151.7 Ų151.775%0.7579%0.794SS**  trans8989.2170.1-57.60000114.3
56S28.9Very low31.6Very low94 Ų94151.3 Ų151.366%0.65780%0.802SS**  91120.971.760.50000111
57E27.6Very low32Very low177 Ų177145.1 Ų145.183%0.82780%0.8SS**  trans57.292.3145.1-63.1171.4168.600116.5
58A34.7Very low31.9Very low106 Ų106143.9 Ų143.988%0.87680%0.799SS**  trans-116.759.3149.500000109S60A58-S60 VanDerWaalsContact C-N 3.34Å; A58-S60 PolarHBondContact O-N 3.35Å
59T30.2Very low31.8Very low121 Ų121137.6 Ų137.674%0.74279%0.792SS**  trans-78.690.4152.948.80000106.7D61T59-D61 PolarHBondContact O-N 3.4Å
60S36.3Very low31.9Very low102 Ų102138.8 Ų138.871%0.71379%0.793SS**  trans-81.599.7169.8-175.40000109.2A58A58-S60 VanDerWaalsContact C-N 3.34Å; A58-S60 PolarHBondContact O-N 3.35Å
61D31.7Very low31.8Very low125 Ų125137.8 Ų137.867%0.66879%0.794SS**SBend5877.1125.9-49.3-44000118.5T59T59-D61 PolarHBondContact O-N 3.4Å
62H30.8Very low31.9Very low183 Ų183134.4 Ų134.485%0.84779%0.789SS**SBendtrans-161.766.5132.4-153.2-50.4000112.9
63C33.4Very low32.1Very low123 Ų123133.9 Ų133.983%0.83179%0.786SS**  trans-172.569.9154.8-107.50000111L65C63-L65 VanDerWaalsContact C-N 3.34Å; C63-L65 PolarHBondContact O-N 2.83Å
64Q31.3Very low32.5Very low183 Ų183136.9 Ų136.986%0.85580%0.796SS**  trans-80.286.2158.6-72.3-172.77.100108.7
65L34.7Very low32.9Very low164 Ų164134.5 Ų134.586%0.85979%0.788SS**SBendtrans-147.2101.8156.8-81179000109.2C63C63-L65 VanDerWaalsContact C-N 3.34Å; C63-L65 PolarHBondContact O-N 2.83Å
66A30.9Very low33.1Very low102 Ų102134 Ų13484%0.84378%0.783SS**  trans57.784.9151.400000117.8
67A36Very low33.5Very low99 Ų99137.2 Ų137.282%0.81879%0.791SS**  trans-135.76215000000109.5G69A67-G69 PolarHBondContact O-N 3.35Å
68N33.1Very low33.9Very low161 Ų161135.3 Ų135.386%0.86179%0.786SS**  trans-72.576.5156.8-68.6-3.2000106.9E70N68-E70 PolarHBondContact O-N 3.37Å
69G33.5Very low34.2Very low72 Ų72135.9 Ų135.974%0.74278%0.78SS**  trans-85.964.6165.600000108.9A67A67-G69 PolarHBondContact O-N 3.35Å
70E35.5Very low34.4Very low166 Ų166138.5 Ų138.578%0.77678%0.784SS**  trans-66.3130.5159.1-81.1-178.9135.400107.6N68 V72N68-E70 PolarHBondContact O-N 3.37Å; E70-V72 PolarHBondContact O-N 2.96Å
71D31.3Very low34.2Very low171 Ų171141.5 Ų141.591%0.91479%0.792SS**  trans-54.779170.6-84.9-48.9000111K73D71-K73 PolarHBondContact O-N 3Å; D71-K73 VanDerWaalsContact O-N 3.16Å
72V36.6Very low34.5Very low111 Ų111143.1 Ų143.167%0.67380%0.799SS**  trans-82.393.8164.1-1760000106.6E70 L74E70-V72 PolarHBondContact O-N 2.96Å; V72-L74 VanDerWaalsContact C-N 3.31Å; V72-L74 PolarHBondContact O-N 3.21Å
73K34.4Very low34.8Very low189 Ų189140.2 Ų140.282%0.82280%0.796SS**  trans-48100.9155.2-91.8177.8175175.10107.5D71 V75D71-K73 PolarHBondContact O-N 3Å; D71-K73 VanDerWaalsContact O-N 3.16Å; K73-V75 PolarHBondContact O-N 3.43Å
74L35.9Very low34.7Very low154 Ų154143.4 Ų143.481%0.80680%0.799SS**  trans-69.187167-76.4164.8000107.5V72V72-L74 VanDerWaalsContact C-N 3.31Å; V72-L74 PolarHBondContact O-N 3.21Å
75V34.6Very low35.1Very low110 Ų110143.7 Ų143.767%0.66780%0.801SS**  trans-59.6132.4165.71780000107.4K73 I77K73-V75 PolarHBondContact O-N 3.43Å; V75-I77 PolarHBondContact O-N 3.45Å; V75-I77 VanDerWaalsContact O-N 3.11Å
76P33Very low35.1Very low100 Ų100141 Ų14165%0.64980%0.796SS**  trans-63.2115.6174.6-12.426000108.5I78P76-I78 PolarHBondContact O-N 3.01Å
77I37.3Very low35.8Very low162 Ų162144.2 Ų144.283%0.83180%0.797SS**  trans-72.1100.2169-59.4175.1000106.4V75V75-I77 PolarHBondContact O-N 3.45Å; V75-I77 VanDerWaalsContact O-N 3.11Å
78I36.4Very low35.9Very low137 Ų137147.6 Ų147.670%0.70380%0.8SS**  trans-75.4122.1161.6-58170.1000105.4P76 E80P76-I78 PolarHBondContact O-N 3.01Å; I78-E80 PolarHBondContact O-N 3.01Å
79P40.3Very low36.1Very low118 Ų118148.9 Ų148.977%0.76680%0.801SS**  trans-69.9110.3167.3-13.929.4000108.2
80E36Very low36.2Very low177 Ų177149.4 Ų149.483%0.82780%0.798SS**  trans-66.6141.4169.6-75.7-161150.100111.1I78I78-E80 PolarHBondContact O-N 3.01Å
81D31Very low36.5Very low165 Ų165145.7 Ų145.788%0.88279%0.791SS**  trans-51.6130.1172.2-67.6-60.7000112.7
82I38.4Very low37.3Very low159 Ų159143.6 Ų143.682%0.81579%0.79SS**  trans-135.4132.8161.9-56.2179.4000109
83P36.5Very low38Very low121 Ų121142.4 Ų142.479%0.78679%0.786SS**  trans-87.8159-156.5-2.423000114.8
84E32.6Very low38.8Very low190 Ų190137.8 Ų137.889%0.88877%0.77SS**  trans-53.3129.8172.6-61.6179.1150.400113.7
85E38.3Very low39.5Very low190 Ų190138.1 Ų138.189%0.88877%0.772SS**  trans-133.9101.8149.3-90.2-164.815800110.5
86S36.5Very low40.4Very low108 Ų108139.9 Ų139.976%0.75578%0.777SS**  trans16.7116.2132.7-53.10000117.6
87I44.4Very low41.6Very low168 Ų168139.2 Ų139.286%0.86277%0.771SS**  -154.3109.1127.5-81.7126000107.7
88L38.2Very low42.8Very low170 Ų170134.4 Ų134.489%0.8975%0.752SS**  trans-85.9124.8161.6-77.2167.5000108.2
89Q38.3Very low44.5Very low189 Ų189133.2 Ų133.288%0.88375%0.747SS**  trans-155.5114.6141-121.7166.4-2400110.8
90A34.8Very low46.2Very low82 Ų82130.1 Ų130.168%0.67873%0.731SS**  trans-52155.8178.400000113.5
91S42.1Very low48.4Very low89 Ų89126.6 Ų126.662%0.62272%0.717SS**  175.598.8125.9-73.30000111.9S93S91-S93 VanDerWaalsContact C-N 3.25Å; S91-S93 PolarHBondContact O-N 3.48Å; S91-S93 PolarHBondContact O-OG 2.92Å
92S48.5Very low50.7Low127 Ų127123 Ų12389%0.88870%0.698SS**SBendtrans622.2142-480000120.3
93S49.9Very low52.8Low86 Ų86120.1 Ų120.160%0.60168%0.681SS**  trans-99.9-4.5171.8-43.80000112.5S91 L95S91-S93 VanDerWaalsContact C-N 3.25Å; S91-S93 PolarHBondContact O-N 3.48Å; S91-S93 PolarHBondContact O-OG 2.92Å; S93-L95 VanDerWaalsContact C-N 3.33Å; S93-L95 PolarHBondContact O-N 3.31Å
94D51.4Low55.2Low92 Ų92121.1 Ų121.149%0.49267%0.673SS.*Hα-helixtrans-72-16.8-161.8-66.8-42000115S98D94-S98 VanDerWaalsContact O-CB 3.3Å; D94-S98 WeakPolarHBondContact O-CB 3.5Å; D94-S98 PolarHBondContact O-N 2.91Å; D94-S98 PolarHBondContact O-OG 3.41Å
95L50.8Low57.9Low160 Ų160115.3 Ų115.384%0.83865%0.648SS**Hα-helixtrans-74.9-30.6-178.3-80.2165.4000113.6S93S93-L95 VanDerWaalsContact C-N 3.33Å; S93-L95 PolarHBondContact O-N 3.31Å
96L53.3Low60.3Low147 Ų147113.5 Ų113.577%0.7763%0.633SS**Hα-helixtrans-85.1-31.7174.2-66.8178.6000112.1S98 D99 A100L96-S98 VanDerWaalsContact C-N 3.33Å; L96-D99 PolarHBondContact O-N 3.33Å; L96-A100 PolarHBondContact O-N 3.47Å
97V58.9Low63Low87 Ų87111.9 Ų111.953%0.52762%0.618SS.*Hα-helixtrans-68.8-35.3176.4-179.10000110.7A100 L101V97-A100 PolarHBondContact O-N 2.64Å; V97-L101 WeakPolarHBondContact O-CB 3.49Å; V97-L101 PolarHBondContact O-N 2.98Å
98S62.7Low65.3Low61 Ų61107.8 Ų107.843%0.42760%0.597SS.*Hα-helixtrans-61.8-42.3175.6-62.20000112.3D94 L96 L101 L102D94-S98 VanDerWaalsContact O-CB 3.3Å; D94-S98 WeakPolarHBondContact O-CB 3.5Å; D94-S98 PolarHBondContact O-N 2.91Å; D94-S98 PolarHBondContact O-OG 3.41Å; L96-S98 VanDerWaalsContact C-N 3.33Å; S98-L101 PolarHBondContact O-N 3.25Å; S98-L102 WeakPolarHBondContact O-CB 3.43Å; S98-L102 VanDerWaalsContact O-CG 3.25Å; S98-L102 WeakPolarHBondContact O-CG 3.39Å; S98-L102 PolarHBondContact O-N 3.05Å
99D70.7Confident67.9Low111 Ų111105.8 Ų105.859%0.59458%0.583SS**Hα-helixtrans-68.1-38.9-179.6-156.137.3000111.5L96 L102 E103L96-D99 PolarHBondContact O-N 3.33Å; D99-L102 PolarHBondContact O-N 2.86Å; D99-E103 PolarHBondContact O-N 3.16Å
100A76.2Confident70.5Confident54 Ų5499.5 Ų99.545%0.44656%0.561SS.*Hα-helixtrans-69.4-32.3174.300000113.5L96 V97 K104L96-A100 PolarHBondContact O-N 3.47Å; V97-A100 PolarHBondContact O-N 2.64Å; A100-K104 WeakPolarHBondContact O-CG 3.26Å; A100-K104 PolarHBondContact O-N 2.82Å; A100-K104 VanDerWaalsContact O-N 3.14Å
101L82.4Confident73.3Confident102 Ų102100.3 Ų100.353%0.53455%0.553SS.*Hα-helixtrans-69.1-46.8173.9-166.993.8000110.5V97 S98 E103 K104 D105V97-L101 WeakPolarHBondContact O-CB 3.49Å; V97-L101 PolarHBondContact O-N 2.98Å; S98-L101 PolarHBondContact O-N 3.25Å; L101-E103 VanDerWaalsContact C-N 3.28Å; L101-E103 PolarHBondContact O-N 3.32Å; L101-K104 WeakPolarHBondContact O-CB 3.39Å; L101-K104 PolarHBondContact O-N 3.34Å; L101-K104 VanDerWaalsContact O-N 3.1Å; L101-D105 PolarHBondContact O-N 2.93Å
102L80.7Confident75.8Confident91 Ų91101.9 Ų101.948%0.47655%0.551SS.*Hα-helixtrans-60.6-37.9177-71.7174.2000112S98 D99 D105 R106S98-L102 WeakPolarHBondContact O-CB 3.43Å; S98-L102 VanDerWaalsContact O-CG 3.25Å; S98-L102 WeakPolarHBondContact O-CG 3.39Å; S98-L102 PolarHBondContact O-N 3.05Å; D99-L102 PolarHBondContact O-N 2.86Å; L102-D105 PolarHBondContact O-N 3.33Å; L102-R106 VanDerWaalsContact O-CG 3.26Å; L102-R106 WeakPolarHBondContact O-CG 3.32Å; L102-R106 PolarHBondContact O-N 3.21Å
103E82.2Confident78Confident98 Ų98100.9 Ų100.946%0.45853%0.534SS..Hα-helixtrans-69.7-36.9175.5-166.659-15700112.1D99 L101 R106 V107D99-E103 PolarHBondContact O-N 3.16Å; L101-E103 VanDerWaalsContact C-N 3.28Å; L101-E103 PolarHBondContact O-N 3.32Å; E103-R106 PolarHBondContact O-N 2.99Å; E103-R106 IonicContact OE2-NH1 3.36Å; E103-R106 PolarHBondContact OE2-NH1 3.48Å; E103-V107 WeakPolarHBondContact O-CG2 3.36Å; E103-V107 PolarHBondContact O-N 3.07Å
104K86Confident80.1Confident141 Ų141102.2 Ų102.261%0.61353%0.531SS*.Hα-helixtrans-63-44.5172-76.9175.3-179.4173.10111.7A100 L101 R106 V107 I108A100-K104 WeakPolarHBondContact O-CG 3.26Å; A100-K104 PolarHBondContact O-N 2.82Å; A100-K104 VanDerWaalsContact O-N 3.14Å; L101-K104 WeakPolarHBondContact O-CB 3.39Å; L101-K104 PolarHBondContact O-N 3.34Å; L101-K104 VanDerWaalsContact O-N 3.1Å; K104-R106 VanDerWaalsContact C-N 3.33Å; K104-R106 PolarHBondContact O-N 3.31Å; K104-V107 PolarHBondContact O-N 3.25Å; K104-I108 WeakPolarHBondContact O-CB 3.45Å; K104-I108 WeakPolarHBondContact O-CD1 3.45Å; K104-I108 WeakPolarHBondContact O-CG1 3.3Å; K104-I108 PolarHBondContact O-N 3.02Å
105D89.8Confident82.2Confident69 Ų69103.3 Ų103.337%0.36954%0.537SS..Hα-helixtrans-61.9-41.6178.4-68-25.4000111L101 L102 V107 I108 E109L101-D105 PolarHBondContact O-N 2.93Å; L102-D105 PolarHBondContact O-N 3.33Å; D105-V107 PolarHBondContact O-N 2.67Å; D105-I108 PolarHBondContact O-N 3.49Å; D105-E109 WeakPolarHBondContact O-CB 3.01Å; D105-E109 WeakPolarHBondContact O-CG 3.48Å; D105-E109 PolarHBondContact O-N 2.97Å
106R89.6Confident84.4Confident152 Ų152100 Ų10057%0.57452%0.519SS*.Hα-helixtrans-60.9-43.2173-73.6171180179.22.4113.3L102 E103 K104 S110L102-R106 VanDerWaalsContact O-CG 3.26Å; L102-R106 WeakPolarHBondContact O-CG 3.32Å; L102-R106 PolarHBondContact O-N 3.21Å; E103-R106 PolarHBondContact O-N 2.99Å; E103-R106 IonicContact OE2-NH1 3.36Å; E103-R106 PolarHBondContact OE2-NH1 3.48Å; K104-R106 VanDerWaalsContact C-N 3.33Å; K104-R106 PolarHBondContact O-N 3.31Å; R106-S110 WeakPolarHBondContact O-CB 3.35Å; R106-S110 PolarHBondContact O-N 3.39Å
107V92.4Very high86.4Confident73 Ų7397 Ų9744%0.44250%0.504SS..Hα-helixtrans-66.2-40.5177.2172.20000110.6E103 K104 D105 S110 L111E103-V107 WeakPolarHBondContact O-CG2 3.36Å; E103-V107 PolarHBondContact O-N 3.07Å; K104-V107 PolarHBondContact O-N 3.25Å; D105-V107 PolarHBondContact O-N 2.67Å; V107-S110 PolarHBondContact O-N 3.24Å; V107-L111 HydrophobicContact CG1-CD1 3.95Å; V107-L111 HydrophobicContact CG1-CG 4.36Å; V107-L111 WeakPolarHBondContact O-CB 3.48Å; V107-L111 VanDerWaalsContact O-CG 3.3Å; V107-L111 WeakPolarHBondContact O-CG 3.22Å; V107-L111 PolarHBondContact O-N 3.38Å
108I92Very high88.1Confident82 Ų8295.7 Ų95.742%0.42150%0.502SS..Hα-helixtrans-63-48176.7-69.5163.9000110.4K104 D105 S110 L111 Q112K104-I108 WeakPolarHBondContact O-CB 3.45Å; K104-I108 WeakPolarHBondContact O-CD1 3.45Å; K104-I108 WeakPolarHBondContact O-CG1 3.3Å; K104-I108 PolarHBondContact O-N 3.02Å; D105-I108 PolarHBondContact O-N 3.49Å; I108-S110 VanDerWaalsContact C-N 3.33Å; I108-S110 PolarHBondContact O-N 3.03Å; I108-L111 PolarHBondContact O-N 2.94Å; I108-Q112 HydrophobicContact CG2-CG 4.36Å; I108-Q112 WeakPolarHBondContact O-CB 3.18Å; I108-Q112 VanDerWaalsContact O-CG 3.26Å; I108-Q112 WeakPolarHBondContact O-CG 3.4Å; I108-Q112 PolarHBondContact O-N 2.93Å
109E92.4Very high89.7Confident128 Ų128101.3 Ų101.360%0.59851%0.514SS*.Hα-helixtrans-59.5-42.7176.2-75.4179.3-177.900111.8D105 Q112 L113D105-E109 WeakPolarHBondContact O-CB 3.01Å; D105-E109 WeakPolarHBondContact O-CG 3.48Å; D105-E109 PolarHBondContact O-N 2.97Å; E109-Q112 PolarHBondContact O-N 3.42Å; E109-L113 WeakPolarHBondContact O-CB 3.46Å; E109-L113 PolarHBondContact O-N 3.4Å
110S92.8Very high90.9Very high58 Ų58101.8 Ų101.841%0.40651%0.513SS..Hα-helixtrans-62-44.8175.5-178.60000112.2R106 V107 I108 L113 Q114R106-S110 WeakPolarHBondContact O-CB 3.35Å; R106-S110 PolarHBondContact O-N 3.39Å; V107-S110 PolarHBondContact O-N 3.24Å; I108-S110 VanDerWaalsContact C-N 3.33Å; I108-S110 PolarHBondContact O-N 3.03Å; S110-L113 PolarHBondContact O-N 2.99Å; S110-Q114 WeakPolarHBondContact O-CG 3.4Å; S110-Q114 PolarHBondContact O-N 2.96Å; S110-Q114 PolarHBondContact OG-NE2 2.92Å
111L94.3Very high91.8Very high99 Ų99104.5 Ų104.552%0.51852%0.516SS..Hα-helixtrans-66.2-38.5177.1-73.3172.5000112.1V107 I108 Q114 L115V107-L111 HydrophobicContact CG1-CD1 3.95Å; V107-L111 HydrophobicContact CG1-CG 4.36Å; V107-L111 WeakPolarHBondContact O-CB 3.48Å; V107-L111 VanDerWaalsContact O-CG 3.3Å; V107-L111 WeakPolarHBondContact O-CG 3.22Å; V107-L111 PolarHBondContact O-N 3.38Å; I108-L111 PolarHBondContact O-N 2.94Å; L111-Q114 PolarHBondContact O-N 2.85Å; L111-L115 WeakPolarHBondContact O-CB 3.49Å; L111-L115 PolarHBondContact O-N 3.24Å
112Q94.5Very high92.4Very high122 Ų122104.1 Ų104.157%0.5751%0.514SS*.Hα-helixtrans-61.9-43.4174.2-74.7174.1-7.900111.4I108 E109 L115 L116I108-Q112 HydrophobicContact CG2-CG 4.36Å; I108-Q112 WeakPolarHBondContact O-CB 3.18Å; I108-Q112 VanDerWaalsContact O-CG 3.26Å; I108-Q112 WeakPolarHBondContact O-CG 3.4Å; I108-Q112 PolarHBondContact O-N 2.93Å; E109-Q112 PolarHBondContact O-N 3.42Å; Q112-L115 PolarHBondContact O-N 3.42Å; Q112-L116 WeakPolarHBondContact O-CB 3.26Å; Q112-L116 PolarHBondContact O-N 2.86Å
113L95.1Very high93Very high105 Ų105103.5 Ų103.555%0.5552%0.518SS..Hα-helixtrans-64.9-41.8176.4-173.165.1000111.8E109 S110 L116 N117E109-L113 WeakPolarHBondContact O-CB 3.46Å; E109-L113 PolarHBondContact O-N 3.4Å; S110-L113 PolarHBondContact O-N 2.99Å; L113-L116 PolarHBondContact O-N 3.38Å; L113-N117 PolarHBondContact O-N 2.9Å; L113-N117 PolarHBondContact O-ND2 3.36Å
114Q94.7Very high93.7Very high114 Ų114100.9 Ų100.953%0.53351%0.512SS..Hα-helixtrans-63.5-41.1175.6-72.8177.840.900112.2S110 L111 N117 A118S110-Q114 WeakPolarHBondContact O-CG 3.4Å; S110-Q114 PolarHBondContact O-N 2.96Å; S110-Q114 PolarHBondContact OG-NE2 2.92Å; L111-Q114 PolarHBondContact O-N 2.85Å; Q114-N117 PolarHBondContact O-N 3.49Å; Q114-A118 WeakPolarHBondContact O-CB 3.44Å; Q114-A118 PolarHBondContact O-N 3.14Å
115L94.9Very high94.1Very high116 Ų116100 Ų10061%0.60751%0.506SS*.Hα-helixtrans-63-43.5176-166.3165.4000111L111 Q112 A118 R119L111-L115 WeakPolarHBondContact O-CB 3.49Å; L111-L115 PolarHBondContact O-N 3.24Å; Q112-L115 PolarHBondContact O-N 3.42Å; L115-A118 PolarHBondContact O-N 3.4Å; L115-R119 WeakPolarHBondContact O-CB 3.36Å; L115-R119 PolarHBondContact O-N 3.29Å
116L96.1Very high94.3Very high89 Ų89104.1 Ų104.147%0.46652%0.518SS..Hα-helixtrans-61.6-46.8176.8-166.3161.7000111.3Q112 L113 R119 Q120Q112-L116 WeakPolarHBondContact O-CB 3.26Å; Q112-L116 PolarHBondContact O-N 2.86Å; L113-L116 PolarHBondContact O-N 3.38Å; L116-R119 PolarHBondContact O-N 3.29Å; L116-Q120 HydrophobicContact CD2-CG 4.13Å; L116-Q120 VanDerWaalsContact CD2-NE2 3.25Å; L116-Q120 PolarHBondContact O-N 2.89Å
117N95.8Very high94.6Very high86 Ų86102.1 Ų102.146%0.4652%0.515SS..Hα-helixtrans-60.3-46176.5-72.4-20.1000111.9L113 Q114 R119 Q120 E121L113-N117 PolarHBondContact O-N 2.9Å; L113-N117 PolarHBondContact O-ND2 3.36Å; Q114-N117 PolarHBondContact O-N 3.49Å; N117-R119 VanDerWaalsContact C-N 3.31Å; N117-R119 PolarHBondContact O-N 2.9Å; N117-Q120 PolarHBondContact O-N 3.28Å; N117-E121 PolarHBondContact O-N 3.49Å
118A95.1Very high94.7Very high59 Ų59104.1 Ų104.149%0.48852%0.517SS..Hα-helixtrans-61.5-38.2176.600000112.1Q114 L115 E121 L122Q114-A118 WeakPolarHBondContact O-CB 3.44Å; Q114-A118 PolarHBondContact O-N 3.14Å; L115-A118 PolarHBondContact O-N 3.4Å; A118-E121 PolarHBondContact O-N 2.84Å; A118-L122 VanDerWaalsContact O-CB 3.31Å; A118-L122 WeakPolarHBondContact O-CB 3.38Å; A118-L122 PolarHBondContact O-N 3.45Å
119R96.3Very high94.8Very high178 Ų178103.7 Ų103.767%0.67252%0.521SS*.Hα-helixtrans-66.4-38.9176.5-172.2175.8178.5169.40.2112.4L115 L116 N117 S123L115-R119 WeakPolarHBondContact O-CB 3.36Å; L115-R119 PolarHBondContact O-N 3.29Å; L116-R119 PolarHBondContact O-N 3.29Å; N117-R119 VanDerWaalsContact C-N 3.31Å; N117-R119 PolarHBondContact O-N 2.9Å; R119-S123 WeakPolarHBondContact O-CB 3.45Å; R119-S123 PolarHBondContact O-N 3.45Å
120Q95.7Very high95Very high121 Ų121100 Ų10057%0.56551%0.512SS*.Hα-helixtrans-66.5-43.6174.2-72.4-177.11.500111.8L116 N117 S123 A124L116-Q120 HydrophobicContact CD2-CG 4.13Å; L116-Q120 VanDerWaalsContact CD2-NE2 3.25Å; L116-Q120 PolarHBondContact O-N 2.89Å; N117-Q120 PolarHBondContact O-N 3.28Å; Q120-S123 WeakPolarHBondContact O-CB 3.44Å; Q120-S123 PolarHBondContact O-N 2.91Å; Q120-A124 PolarHBondContact O-N 3.17Å
121E94.7Very high95.2Very high112 Ų112103.1 Ų103.152%0.52352%0.519SS..Hα-helixtrans-63.2-43.7177.7-171.3176-177.300111.4N117 A118 S123 A124 Y125N117-E121 PolarHBondContact O-N 3.49Å; A118-E121 PolarHBondContact O-N 2.84Å; E121-S123 VanDerWaalsContact C-N 3.33Å; E121-S123 PolarHBondContact O-N 2.92Å; E121-A124 PolarHBondContact O-N 3.14Å; E121-Y125 HydrophobicContact CG-CD2 3.85Å; E121-Y125 HydrophobicContact CG-CE2 3.49Å; E121-Y125 VanDerWaalsContact CG-CE2 3.49Å; E121-Y125 WeakPolarHBondContact O-CD2 3.19Å; E121-Y125 PolarHBondContact O-N 3.48Å; E121-Y125 WeakPolarHBondContact OE1-CE2 3.4Å; E121-Y125 PolarHBondContact OE1-OH 2.85Å
122L95.7Very high95.3Very high93 Ų93103.8 Ų103.849%0.48752%0.522SS..Hα-helixtrans-59.9-42.2174.4-166.482.6000111.6A118 A124 Y125 Y126A118-L122 VanDerWaalsContact O-CB 3.31Å; A118-L122 WeakPolarHBondContact O-CB 3.38Å; A118-L122 PolarHBondContact O-N 3.45Å; L122-A124 PolarHBondContact O-N 3.48Å; L122-Y125 PolarHBondContact O-N 2.87Å; L122-Y126 HydrophobicContact CD1-CE2 4.24Å; L122-Y126 HydrophobicContact CD2-CD2 4.27Å; L122-Y126 HydrophobicContact CD2-CE2 3.47Å; L122-Y126 VanDerWaalsContact CD2-CE2 3.47Å; L122-Y126 HydrophobicContact CG-CD2 3.92Å; L122-Y126 HydrophobicContact CG-CE2 3.46Å; L122-Y126 VanDerWaalsContact CG-CE2 3.46Å; L122-Y126 WeakPolarHBondContact O-CD2 3.48Å; L122-Y126 PolarHBondContact O-N 2.93Å
123S94Very high95.3Very high79 Ų79104.3 Ų104.355%0.55252%0.523SS*.Hα-helixtrans-61.2-43.1175.4-179.20000112.1R119 Q120 E121 Y125 Y126 E127R119-S123 WeakPolarHBondContact O-CB 3.45Å; R119-S123 PolarHBondContact O-N 3.45Å; Q120-S123 WeakPolarHBondContact O-CB 3.44Å; Q120-S123 PolarHBondContact O-N 2.91Å; E121-S123 VanDerWaalsContact C-N 3.33Å; E121-S123 PolarHBondContact O-N 2.92Å; S123-Y125 VanDerWaalsContact C-N 3.35Å; S123-Y125 PolarHBondContact O-N 3.24Å; S123-Y126 PolarHBondContact O-N 3.11Å; S123-E127 PolarHBondContact O-N 3.02Å; S123-E127 VanDerWaalsContact O-N 3.07Å
124A95.2Very high95.5Very high42 Ų42106.9 Ų106.935%0.34753%0.529SS..Hα-helixtrans-65.2-36175.500000112.5Q120 E121 L122 K128Q120-A124 PolarHBondContact O-N 3.17Å; E121-A124 PolarHBondContact O-N 3.14Å; L122-A124 PolarHBondContact O-N 3.48Å; A124-K128 WeakPolarHBondContact O-CG 3.47Å; A124-K128 PolarHBondContact O-N 3.22Å
125Y94.8Very high95.5Very high123 Ų123107.4 Ų107.448%0.48253%0.533SS..Hα-helixtrans-68.4-41.8172.6-78.6-64.7000112.5E121 L122 S123 E127 K128 C129E121-Y125 HydrophobicContact CG-CD2 3.85Å; E121-Y125 HydrophobicContact CG-CE2 3.49Å; E121-Y125 VanDerWaalsContact CG-CE2 3.49Å; E121-Y125 WeakPolarHBondContact O-CD2 3.19Å; E121-Y125 PolarHBondContact O-N 3.48Å; E121-Y125 WeakPolarHBondContact OE1-CE2 3.4Å; E121-Y125 PolarHBondContact OE1-OH 2.85Å; L122-Y125 PolarHBondContact O-N 2.87Å; S123-Y125 VanDerWaalsContact C-N 3.35Å; S123-Y125 PolarHBondContact O-N 3.24Å; Y125-E127 VanDerWaalsContact C-N 3.31Å; Y125-E127 PolarHBondContact O-N 3.5Å; Y125-K128 HydrophobicContact CD1-CD 4.4Å; Y125-K128 WeakPolarHBondContact O-CB 3.21Å; Y125-K128 PolarHBondContact O-N 3.03Å; Y125-K128 VanDerWaalsContact O-N 3.17Å; Y125-C129 PolarHBondContact O-N 3.13Å; Y125-C129 PolarHBondContact O-SG 3.34Å
126Y94.5Very high95.6Very high155 Ų155107.4 Ų107.461%0.60853%0.53SS*.Hα-helixtrans-59.9-39.5175.3-78.7-56.7000112.3L122 S123 C129 A130L122-Y126 HydrophobicContact CD1-CE2 4.24Å; L122-Y126 HydrophobicContact CD2-CD2 4.27Å; L122-Y126 HydrophobicContact CD2-CE2 3.47Å; L122-Y126 VanDerWaalsContact CD2-CE2 3.47Å; L122-Y126 HydrophobicContact CG-CD2 3.92Å; L122-Y126 HydrophobicContact CG-CE2 3.46Å; L122-Y126 VanDerWaalsContact CG-CE2 3.46Å; L122-Y126 WeakPolarHBondContact O-CD2 3.48Å; L122-Y126 PolarHBondContact O-N 2.93Å; S123-Y126 PolarHBondContact O-N 3.11Å; Y126-C129 PolarHBondContact O-N 3.4Å; Y126-A130 WeakPolarHBondContact O-CB 3.33Å; Y126-A130 PolarHBondContact O-N 2.89Å
127E95Very high95.6Very high111 Ų111107.7 Ų107.752%0.51953%0.532SS..Hα-helixtrans-64.8-40.2175.5-163.3-165.3151.700112S123 Y125 A130 K131S123-E127 PolarHBondContact O-N 3.02Å; S123-E127 VanDerWaalsContact O-N 3.07Å; Y125-E127 VanDerWaalsContact C-N 3.31Å; Y125-E127 PolarHBondContact O-N 3.5Å; E127-A130 PolarHBondContact O-N 3.45Å; E127-K131 WeakPolarHBondContact O-CG 3.33Å; E127-K131 PolarHBondContact O-N 3.17Å; E127-K131 WeakPolarHBondContact OE1-CE 3.3Å; E127-K131 IonicContact OE1-NZ 2.67Å; E127-K131 PolarHBondContact OE1-NZ 3.26Å
128K95Very high95.6Very high114 Ų114106.8 Ų106.850%0.49653%0.532SS..Hα-helixtrans-64.4-44.7174.3-70.7170.2-172.8168.80111.6A124 Y125 A130 K131 L132A124-K128 WeakPolarHBondContact O-CG 3.47Å; A124-K128 PolarHBondContact O-N 3.22Å; Y125-K128 HydrophobicContact CD1-CD 4.4Å; Y125-K128 WeakPolarHBondContact O-CB 3.21Å; Y125-K128 PolarHBondContact O-N 3.03Å; Y125-K128 VanDerWaalsContact O-N 3.17Å; K128-A130 VanDerWaalsContact C-N 3.31Å; K128-A130 PolarHBondContact O-N 3.37Å; K128-K131 PolarHBondContact O-N 3.21Å; K128-L132 WeakPolarHBondContact O-CG 3.36Å; K128-L132 PolarHBondContact O-N 3.43Å
129C94.1Very high95.8Very high74 Ų74107 Ų10750%0.553%0.528SS..Hα-helixtrans-61.2-40.5176-69.40000111.4Y125 Y126 K131 L132 K133Y125-C129 PolarHBondContact O-N 3.13Å; Y125-C129 PolarHBondContact O-SG 3.34Å; Y126-C129 PolarHBondContact O-N 3.4Å; C129-K131 PolarHBondContact O-N 3.39Å; C129-L132 PolarHBondContact O-N 3.31Å; C129-K133 WeakPolarHBondContact O-CB 2.97Å; C129-K133 PolarHBondContact O-N 2.92Å
130A96.3Very high95.7Very high50 Ų50101.5 Ų101.541%0.41351%0.512SS..Hα-helixtrans-63.6-40.1175.100000112.5Y126 E127 K128 K134Y126-A130 WeakPolarHBondContact O-CB 3.33Å; Y126-A130 PolarHBondContact O-N 2.89Å; E127-A130 PolarHBondContact O-N 3.45Å; K128-A130 VanDerWaalsContact C-N 3.31Å; K128-A130 PolarHBondContact O-N 3.37Å; A130-K134 WeakPolarHBondContact O-CG 3.34Å; A130-K134 PolarHBondContact O-N 2.87Å; A130-K134 VanDerWaalsContact O-N 3.13Å
131K97.1Very high95.7Very high123 Ų12397.2 Ų97.254%0.53550%0.5SS..Hα-helixtrans-64.7-43.3174.4-72.3172.3-174.3167.80112.1E127 K128 C129 K134 M135E127-K131 WeakPolarHBondContact O-CG 3.33Å; E127-K131 PolarHBondContact O-N 3.17Å; E127-K131 WeakPolarHBondContact OE1-CE 3.3Å; E127-K131 IonicContact OE1-NZ 2.67Å; E127-K131 PolarHBondContact OE1-NZ 3.26Å; K128-K131 PolarHBondContact O-N 3.21Å; C129-K131 PolarHBondContact O-N 3.39Å; K131-K134 PolarHBondContact O-N 2.87Å; K131-M135 PolarHBondContact O-N 3.24Å; K131-M135 VanDerWaalsContact O-N 3.14Å
132L96.4Very high95.8Very high113 Ų11397.8 Ų97.859%0.59250%0.503SS*.Hα-helixtrans-65.7-40.2177.2-72.1174000112K128 C129 M135 Q136K128-L132 WeakPolarHBondContact O-CG 3.36Å; K128-L132 PolarHBondContact O-N 3.43Å; C129-L132 PolarHBondContact O-N 3.31Å; L132-M135 PolarHBondContact O-N 3.14Å; L132-Q136 WeakPolarHBondContact O-CB 3.1Å; L132-Q136 PolarHBondContact O-N 3.03Å
133K96.1Very high95.8Very high133 Ų13397.6 Ų97.658%0.57850%0.501SS*.Hα-helixtrans-61.6-44.6176.4-170.6169-176.4173.10111.9C129 M135 Q136 D137C129-K133 WeakPolarHBondContact O-CB 2.97Å; C129-K133 PolarHBondContact O-N 2.92Å; K133-M135 VanDerWaalsContact C-N 3.32Å; K133-M135 PolarHBondContact O-N 3.48Å; K133-Q136 WeakPolarHBondContact O-CB 3.22Å; K133-Q136 PolarHBondContact O-N 3.47Å; K133-D137 PolarHBondContact O-N 3.48Å
134K97.3Very high95.9Very high159 Ų159100.4 Ų100.469%0.69151%0.505SS*.Hα-helixtrans-59.9-40.4173.8-71.4179.4-178.7-175.10113A130 K131 S138A130-K134 WeakPolarHBondContact O-CG 3.34Å; A130-K134 PolarHBondContact O-N 2.87Å; A130-K134 VanDerWaalsContact O-N 3.13Å; K131-K134 PolarHBondContact O-N 2.87Å; K134-S138 WeakPolarHBondContact O-CB 3.39Å; K134-S138 PolarHBondContact O-N 3.04Å; K134-S138 VanDerWaalsContact O-N 3.13Å
135M95.7Very high95.9Very high125 Ų125105.4 Ų105.462%0.61652%0.522SS*.Hα-helixtrans-68.3-38.6176.7-173.8178.8-65.600111.4K131 L132 K133 S138 V139K131-M135 PolarHBondContact O-N 3.24Å; K131-M135 VanDerWaalsContact O-N 3.14Å; L132-M135 PolarHBondContact O-N 3.14Å; K133-M135 VanDerWaalsContact C-N 3.32Å; K133-M135 PolarHBondContact O-N 3.48Å; M135-S138 PolarHBondContact O-N 2.98Å; M135-V139 WeakPolarHBondContact O-CG2 3.45Å; M135-V139 PolarHBondContact O-N 3.44Å
136Q96.2Very high96Very high117 Ų117104.6 Ų104.655%0.54753%0.525SS..Hα-helixtrans-61.6-52.3174.2178.5-179.91.200110.9L132 K133 S138 V139 D140L132-Q136 WeakPolarHBondContact O-CB 3.1Å; L132-Q136 PolarHBondContact O-N 3.03Å; K133-Q136 WeakPolarHBondContact O-CB 3.22Å; K133-Q136 PolarHBondContact O-N 3.47Å; Q136-S138 PolarHBondContact O-N 3.25Å; Q136-V139 PolarHBondContact O-N 3.46Å; Q136-V139 VanDerWaalsContact O-N 3.14Å; Q136-D140 WeakPolarHBondContact CG-OD2 3.29Å; Q136-D140 WeakPolarHBondContact O-CB 3.18Å; Q136-D140 PolarHBondContact O-N 2.93Å
137D96.2Very high96.1Very high94 Ų94100 Ų10050%0.50351%0.513SS..Hα-helixtrans-58.7-36.8-179.8-61-25.4000111.7K133 G141K133-D137 PolarHBondContact O-N 3.48Å; D137-G141 PolarHBondContact O-N 3.5Å
138S96.9Very high96.1Very high67 Ų6797.1 Ų97.147%0.46951%0.508SS..Hα-helixtrans-65.3-49.3174.9-171.40000112.5K134 M135 Q136 D140 G141 E142K134-S138 WeakPolarHBondContact O-CB 3.39Å; K134-S138 PolarHBondContact O-N 3.04Å; K134-S138 VanDerWaalsContact O-N 3.13Å; M135-S138 PolarHBondContact O-N 2.98Å; Q136-S138 PolarHBondContact O-N 3.25Å; S138-D140 VanDerWaalsContact C-N 3.35Å; S138-G141 PolarHBondContact O-N 3.45Å; S138-E142 PolarHBondContact O-N 3.4Å; S138-E142 VanDerWaalsContact O-N 3.08Å
139V98.1Very high96.2Very high65 Ų6594.9 Ų94.939%0.39451%0.507SS..Hα-helixtrans-66.7-39.5-180170.20000110.7M135 Q136 G141 E142 I143M135-V139 WeakPolarHBondContact O-CG2 3.45Å; M135-V139 PolarHBondContact O-N 3.44Å; Q136-V139 PolarHBondContact O-N 3.46Å; Q136-V139 VanDerWaalsContact O-N 3.14Å; V139-G141 VanDerWaalsContact C-N 3.31Å; V139-G141 PolarHBondContact O-N 3.07Å; V139-E142 PolarHBondContact O-N 3.19Å; V139-I143 HydrophobicContact CG1-CD1 3.8Å; V139-I143 HydrophobicContact CG1-CG1 4.37Å; V139-I143 VanDerWaalsContact O-CG1 3.29Å; V139-I143 WeakPolarHBondContact O-CG1 3.34Å; V139-I143 PolarHBondContact O-N 3.39Å
140D95.1Very high96.3Very high62 Ų6296.4 Ų96.433%0.33251%0.509SS..Hα-helixtrans-60.8-43.5174.8-72.4-21.8000109.5Q136 S138 E142 I143 H144Q136-D140 WeakPolarHBondContact CG-OD2 3.29Å; Q136-D140 WeakPolarHBondContact O-CB 3.18Å; Q136-D140 PolarHBondContact O-N 2.93Å; S138-D140 VanDerWaalsContact C-N 3.35Å; D140-E142 PolarHBondContact O-N 3.44Å; D140-I143 PolarHBondContact O-N 2.85Å; D140-H144 PolarHBondContact O-N 3.16Å; D140-H144 PolarHBondContact O-ND1 3.37Å
141G95.7Very high96.3Very high31 Ų31101.2 Ų101.232%0.3252%0.521SS..Hα-helixtrans-54.9-50.3172.600000113.7D137 S138 V139 I143 H144 E145D137-G141 PolarHBondContact O-N 3.5Å; S138-G141 PolarHBondContact O-N 3.45Å; V139-G141 VanDerWaalsContact C-N 3.31Å; V139-G141 PolarHBondContact O-N 3.07Å; G141-I143 VanDerWaalsContact C-N 3.32Å; G141-I143 PolarHBondContact O-N 3.3Å; G141-H144 PolarHBondContact O-N 2.86Å; G141-E145 PolarHBondContact O-N 3.14Å
142E97Very high96.3Very high124 Ų124102 Ų10258%0.57953%0.527SS*.Hα-helixtrans-60-40177.2-69.5173.9-149.600112.4S138 V139 D140 E145 L146S138-E142 PolarHBondContact O-N 3.4Å; S138-E142 VanDerWaalsContact O-N 3.08Å; V139-E142 PolarHBondContact O-N 3.19Å; D140-E142 PolarHBondContact O-N 3.44Å; E142-E145 PolarHBondContact O-N 3.26Å; E142-L146 WeakPolarHBondContact O-CB 3.46Å; E142-L146 PolarHBondContact O-N 3.24Å
143I96.3Very high96.2Very high88 Ų88100.5 Ų100.545%0.45152%0.517SS..Hα-helixtrans-65.2-42.3176.8-70168000110.7V139 D140 G141 L146 T147V139-I143 HydrophobicContact CG1-CD1 3.8Å; V139-I143 HydrophobicContact CG1-CG1 4.37Å; V139-I143 VanDerWaalsContact O-CG1 3.29Å; V139-I143 WeakPolarHBondContact O-CG1 3.34Å; V139-I143 PolarHBondContact O-N 3.39Å; D140-I143 PolarHBondContact O-N 2.85Å; G141-I143 VanDerWaalsContact C-N 3.32Å; G141-I143 PolarHBondContact O-N 3.3Å; I143-L146 PolarHBondContact O-N 3.13Å; I143-T147 WeakPolarHBondContact O-CB 3.42Å; I143-T147 PolarHBondContact O-N 2.87Å; I143-T147 PolarHBondContact O-OG1 2.84Å
144H95.1Very high96.2Very high138 Ų13896.9 Ų96.964%0.63951%0.511SS*.Hα-helixtrans-63.1-43.7178.2-75.285.1000111.3D140 G141 T147 A148D140-H144 PolarHBondContact O-N 3.16Å; D140-H144 PolarHBondContact O-ND1 3.37Å; G141-H144 PolarHBondContact O-N 2.86Å; H144-T147 PolarHBondContact O-N 2.85Å; H144-A148 WeakPolarHBondContact O-CB 3.45Å; H144-A148 PolarHBondContact O-N 3.03Å
145E95.2Very high96.1Very high148 Ų14897.1 Ų97.169%0.69251%0.509SS*.Hα-helixtrans-63.8-46.1176.7-70.7-179.4-172.700112.2G141 E142 T147 A148 S149G141-E145 PolarHBondContact O-N 3.14Å; E142-E145 PolarHBondContact O-N 3.26Å; E145-T147 VanDerWaalsContact C-N 3.34Å; E145-T147 PolarHBondContact O-N 3.08Å; E145-A148 PolarHBondContact O-N 3.47Å; E145-S149 PolarHBondContact O-N 3.43Å
146L97.6Very high96.2Very high106 Ų10696.6 Ų96.656%0.55550%0.5SS*.Hα-helixtrans-62.8-42.3177.2179.262.3000111.7E142 I143 A148 S149 L150E142-L146 WeakPolarHBondContact O-CB 3.46Å; E142-L146 PolarHBondContact O-N 3.24Å; I143-L146 PolarHBondContact O-N 3.13Å; L146-A148 VanDerWaalsContact C-N 3.34Å; L146-A148 PolarHBondContact O-N 3.38Å; L146-S149 PolarHBondContact O-N 3.05Å; L146-L150 HydrophobicContact CD1-CD1 4.37Å; L146-L150 HydrophobicContact CD1-CG 4.32Å; L146-L150 HydrophobicContact CG-CD1 4.11Å; L146-L150 HydrophobicContact CG-CG 4.49Å; L146-L150 WeakPolarHBondContact O-CB 3.31Å; L146-L150 WeakPolarHBondContact O-CG 3.41Å; L146-L150 PolarHBondContact O-N 3.34Å
147T96.2Very high96.2Very high58 Ų5895.2 Ų95.236%0.35650%0.496SS..Hα-helixtrans-62-43.8178.3-59.70000110.6I143 H144 E145 L150 F151I143-T147 WeakPolarHBondContact O-CB 3.42Å; I143-T147 PolarHBondContact O-N 2.87Å; I143-T147 PolarHBondContact O-OG1 2.84Å; H144-T147 PolarHBondContact O-N 2.85Å; E145-T147 VanDerWaalsContact C-N 3.34Å; E145-T147 PolarHBondContact O-N 3.08Å; T147-L150 PolarHBondContact O-N 3.09Å; T147-F151 HydrophobicContact CG2-CD2 3.73Å; T147-F151 HydrophobicContact CG2-CE2 3.46Å; T147-F151 VanDerWaalsContact CG2-CE2 3.46Å; T147-F151 WeakPolarHBondContact O-CD2 3.19Å; T147-F151 PolarHBondContact O-N 3.18Å
148A95.4Very high96.1Very high50 Ų5093.5 Ų93.541%0.41350%0.495SS..Hα-helixtrans-61.4-44.2174.600000112.1H144 E145 L146 F151 Q152H144-A148 WeakPolarHBondContact O-CB 3.45Å; H144-A148 PolarHBondContact O-N 3.03Å; E145-A148 PolarHBondContact O-N 3.47Å; L146-A148 VanDerWaalsContact C-N 3.34Å; L146-A148 PolarHBondContact O-N 3.38Å; A148-F151 PolarHBondContact O-N 3.22Å; A148-Q152 WeakPolarHBondContact O-CG 3.5Å; A148-Q152 PolarHBondContact O-N 2.87Å
149S97.4Very high96.1Very high67 Ų6795.6 Ų95.647%0.46950%0.495SS..Hα-helixtrans-63.5-40.4177.1-1740000112.5E145 L146 Q152 E153E145-S149 PolarHBondContact O-N 3.43Å; L146-S149 PolarHBondContact O-N 3.05Å; S149-Q152 PolarHBondContact O-N 3.5Å; S149-E153 WeakPolarHBondContact O-CB 3.44Å; S149-E153 PolarHBondContact O-N 3.38Å
150L95.7Very high96Very high106 Ų10696.1 Ų96.156%0.55549%0.494SS*.Hα-helixtrans-66.2-40.4177.8-76.9171.7000111.9L146 T147 E153 A154L146-L150 HydrophobicContact CD1-CD1 4.37Å; L146-L150 HydrophobicContact CD1-CG 4.32Å; L146-L150 HydrophobicContact CG-CD1 4.11Å; L146-L150 HydrophobicContact CG-CG 4.49Å; L146-L150 WeakPolarHBondContact O-CB 3.31Å; L146-L150 WeakPolarHBondContact O-CG 3.41Å; L146-L150 PolarHBondContact O-N 3.34Å; T147-L150 PolarHBondContact O-N 3.09Å; L150-E153 PolarHBondContact O-N 3.36Å; L150-A154 VanDerWaalsContact O-CB 3.29Å; L150-A154 WeakPolarHBondContact O-CB 3.38Å; L150-A154 PolarHBondContact O-N 3.33Å
151F96.7Very high96Very high151 Ų15195.8 Ų95.866%0.66250%0.499SS*.Hα-helixtrans-67.3-39.6176-80.5-62.6000112.7T147 A148 E153 A154 Y155T147-F151 HydrophobicContact CG2-CD2 3.73Å; T147-F151 HydrophobicContact CG2-CE2 3.46Å; T147-F151 VanDerWaalsContact CG2-CE2 3.46Å; T147-F151 WeakPolarHBondContact O-CD2 3.19Å; T147-F151 PolarHBondContact O-N 3.18Å; A148-F151 PolarHBondContact O-N 3.22Å; F151-E153 VanDerWaalsContact C-N 3.32Å; F151-A154 PolarHBondContact O-N 2.91Å; F151-Y155 WeakPolarHBondContact O-CB 3.46Å; F151-Y155 PolarHBondContact O-N 2.86Å
152Q96Very high96Very high141 Ų14198.9 Ų98.966%0.65951%0.505SS*.Hα-helixtrans-61.4-43173.7-73174.80.500111.4A148 S149 Y155 R156A148-Q152 WeakPolarHBondContact O-CG 3.5Å; A148-Q152 PolarHBondContact O-N 2.87Å; S149-Q152 PolarHBondContact O-N 3.5Å; Q152-Y155 PolarHBondContact O-N 3.07Å; Q152-R156 WeakPolarHBondContact O-CB 3.26Å; Q152-R156 PolarHBondContact O-N 3.14Å
153E95.4Very high96Very high81 Ų8197.3 Ų97.338%0.37950%0.501SS..Hα-helixtrans-69.5-42.5179.3-176.160.6-170.200112.2S149 L150 F151 Y155 R156 I157S149-E153 WeakPolarHBondContact O-CB 3.44Å; S149-E153 PolarHBondContact O-N 3.38Å; L150-E153 PolarHBondContact O-N 3.36Å; F151-E153 VanDerWaalsContact C-N 3.32Å; E153-Y155 VanDerWaalsContact C-N 3.33Å; E153-Y155 PolarHBondContact O-N 3.04Å; E153-R156 WeakPolarHBondContact O-CB 3.5Å; E153-R156 PolarHBondContact O-N 3.19Å; E153-R156 IonicContact OE1-CZ 3.74Å; E153-R156 IonicContact OE1-NE 2.84Å; E153-R156 PolarHBondContact OE1-NE 3.37Å; E153-R156 IonicContact OE1-NH2 3.77Å; E153-R156 PolarHBondContact OE1-NH2 3.05Å; E153-R156 IonicContact OE2-CZ 3.6Å; E153-R156 IonicContact OE2-NE 2.98Å; E153-R156 PolarHBondContact OE2-NE 3.46Å; E153-R156 IonicContact OE2-NH2 3.36Å; E153-I157 HydrophobicContact CG-CD1 4.16Å; E153-I157 WeakPolarHBondContact O-CG1 3.42Å; E153-I157 PolarHBondContact O-N 3.47Å
154A94.5Very high96Very high56 Ų5699 Ų9946%0.46351%0.505SS..Hα-helixtrans-60.2-42.8173.700000111.5L150 F151 I157 A158L150-A154 VanDerWaalsContact O-CB 3.29Å; L150-A154 WeakPolarHBondContact O-CB 3.38Å; L150-A154 PolarHBondContact O-N 3.33Å; F151-A154 PolarHBondContact O-N 2.91Å; A154-I157 PolarHBondContact O-N 3.19Å; A154-A158 WeakPolarHBondContact O-CB 3.42Å; A154-A158 PolarHBondContact O-N 3.15Å
155Y95.4Very high96.1Very high164 Ų16498 Ų9864%0.64350%0.495SS*.Hα-helixtrans-63.5-41.7175-176-97000111.9F151 Q152 E153 A158 K159F151-Y155 WeakPolarHBondContact O-CB 3.46Å; F151-Y155 PolarHBondContact O-N 2.86Å; Q152-Y155 PolarHBondContact O-N 3.07Å; E153-Y155 VanDerWaalsContact C-N 3.33Å; E153-Y155 PolarHBondContact O-N 3.04Å; Y155-A158 PolarHBondContact O-N 3.39Å; Y155-K159 HydrophobicContact CE1-CD 4.39Å; Y155-K159 WeakPolarHBondContact O-CB 3.48Å; Y155-K159 PolarHBondContact O-N 3.46Å
156R97.5Very high96.1Very high114 Ų11492.7 Ų92.743%0.4347%0.473SS..Hα-helixtrans-58.7-48175.6-171.2-167.169.570.41.3111.5Q152 E153 K159 E160Q152-R156 WeakPolarHBondContact O-CB 3.26Å; Q152-R156 PolarHBondContact O-N 3.14Å; E153-R156 WeakPolarHBondContact O-CB 3.5Å; E153-R156 PolarHBondContact O-N 3.19Å; E153-R156 IonicContact OE1-CZ 3.74Å; E153-R156 IonicContact OE1-NE 2.84Å; E153-R156 PolarHBondContact OE1-NE 3.37Å; E153-R156 IonicContact OE1-NH2 3.77Å; E153-R156 PolarHBondContact OE1-NH2 3.05Å; E153-R156 IonicContact OE2-CZ 3.6Å; E153-R156 IonicContact OE2-NE 2.98Å; E153-R156 PolarHBondContact OE2-NE 3.46Å; E153-R156 IonicContact OE2-NH2 3.36Å; R156-K159 PolarHBondContact O-N 3.37Å; R156-E160 IonicContact NH1-OE2 2.65Å; R156-E160 PolarHBondContact NH1-OE2 2.73Å; R156-E160 WeakPolarHBondContact O-CB 3.33Å; R156-E160 PolarHBondContact O-N 3.25Å
157I96.2Very high96Very high89 Ų8994.8 Ų94.846%0.45648%0.475SS..Hα-helixtrans-64.4-44.8178.9-66.3166.5000110.8E153 A154 K159 E160 A161E153-I157 HydrophobicContact CG-CD1 4.16Å; E153-I157 WeakPolarHBondContact O-CG1 3.42Å; E153-I157 PolarHBondContact O-N 3.47Å; A154-I157 PolarHBondContact O-N 3.19Å; I157-K159 VanDerWaalsContact C-N 3.34Å; I157-K159 PolarHBondContact O-N 2.97Å; I157-E160 PolarHBondContact O-N 2.94Å; I157-A161 WeakPolarHBondContact O-CB 3.33Å; I157-A161 PolarHBondContact O-N 3.47Å
158A96Very high96Very high57 Ų5794.6 Ų94.647%0.47148%0.479SS..Hα-helixtrans-61.3-42.2178.500000111.9A154 Y155 A161 H162A154-A158 WeakPolarHBondContact O-CB 3.42Å; A154-A158 PolarHBondContact O-N 3.15Å; Y155-A158 PolarHBondContact O-N 3.39Å; A158-A161 PolarHBondContact O-N 3.29Å; A158-H162 WeakPolarHBondContact O-CB 3.38Å; A158-H162 PolarHBondContact O-N 3.03Å
159K96Very high96.1Very high112 Ų11296.8 Ų96.849%0.48748%0.481SS..Hα-helixtrans-65.4-45.3175.9-172.9174.4-179.4177.60112Y155 R156 I157 A161 H162 D163Y155-K159 HydrophobicContact CE1-CD 4.39Å; Y155-K159 WeakPolarHBondContact O-CB 3.48Å; Y155-K159 PolarHBondContact O-N 3.46Å; R156-K159 PolarHBondContact O-N 3.37Å; I157-K159 VanDerWaalsContact C-N 3.34Å; I157-K159 PolarHBondContact O-N 2.97Å; K159-A161 VanDerWaalsContact C-N 3.31Å; K159-A161 PolarHBondContact O-N 3.46Å; K159-H162 PolarHBondContact O-N 2.94Å; K159-D163 VanDerWaalsContact O-CG 3.3Å; K159-D163 PolarHBondContact O-N 3.24Å
160E96.1Very high96.1Very high76 Ų76101.3 Ų101.336%0.35549%0.488SS..Hα-helixtrans-60.7-40.1176.7-171.9-176.2160.200111.9R156 I157 K164R156-E160 IonicContact NH1-OE2 2.65Å; R156-E160 PolarHBondContact NH1-OE2 2.73Å; R156-E160 WeakPolarHBondContact O-CB 3.33Å; R156-E160 PolarHBondContact O-N 3.25Å; I157-E160 PolarHBondContact O-N 2.94Å; E160-K164 HydrophobicContact CG-CD 4.48Å; E160-K164 WeakPolarHBondContact O-CB 3.38Å; E160-K164 VanDerWaalsContact O-CG 3.3Å; E160-K164 WeakPolarHBondContact O-CG 3.48Å; E160-K164 PolarHBondContact O-N 2.8Å; E160-K164 WeakPolarHBondContact OE1-CE 3.37Å; E160-K164 IonicContact OE1-NZ 3.26Å; E160-K164 PolarHBondContact OE1-NZ 2.87Å
161A95.4Very high96.2Very high55 Ų55100 Ų10046%0.45548%0.481SS..Hα-helixtrans-67-41.9175.100000112I157 A158 K159 K164 R165I157-A161 WeakPolarHBondContact O-CB 3.33Å; I157-A161 PolarHBondContact O-N 3.47Å; A158-A161 PolarHBondContact O-N 3.29Å; K159-A161 VanDerWaalsContact C-N 3.31Å; K159-A161 PolarHBondContact O-N 3.46Å; A161-K164 PolarHBondContact O-N 3.27Å; A161-R165 WeakPolarHBondContact O-CB 3.43Å; A161-R165 PolarHBondContact O-N 3.03Å
162H95.9Very high96.2Very high96 Ų9697.8 Ų97.844%0.44448%0.475SS..Hα-helixtrans-61.5-46.6175.3-177.187.8000111.6A158 K159 K164 R165 V166A158-H162 WeakPolarHBondContact O-CB 3.38Å; A158-H162 PolarHBondContact O-N 3.03Å; K159-H162 PolarHBondContact O-N 2.94Å; H162-K164 PolarHBondContact O-N 2.78Å; H162-R165 PolarHBondContact CE1-NH2 2.97Å; H162-R165 PolarHBondContact ND1-NH2 2.68Å; H162-R165 PolarHBondContact O-N 3.17Å; H162-V166 WeakPolarHBondContact O-CG2 3.44Å; H162-V166 PolarHBondContact O-N 2.97Å
163D96.2Very high96.2Very high90 Ų9098 Ų9848%0.48148%0.476SS..Hα-helixtrans-62.3-41.4178.9-69.1-18.9000111.6K159 V166 Y167K159-D163 VanDerWaalsContact O-CG 3.3Å; K159-D163 PolarHBondContact O-N 3.24Å; D163-V166 PolarHBondContact O-N 3.35Å; D163-Y167 WeakPolarHBondContact O-CB 3.49Å; D163-Y167 PolarHBondContact O-N 3.15Å
164K96.9Very high96.3Very high124 Ų12499.5 Ų99.554%0.53948%0.483SS..Hα-helixtrans-64.5-41.1174.5-74.3174.3-172.8169.20112.4E160 A161 H162 Y167 A168E160-K164 HydrophobicContact CG-CD 4.48Å; E160-K164 WeakPolarHBondContact O-CB 3.38Å; E160-K164 VanDerWaalsContact O-CG 3.3Å; E160-K164 WeakPolarHBondContact O-CG 3.48Å; E160-K164 PolarHBondContact O-N 2.8Å; E160-K164 WeakPolarHBondContact OE1-CE 3.37Å; E160-K164 IonicContact OE1-NZ 3.26Å; E160-K164 PolarHBondContact OE1-NZ 2.87Å; A161-K164 PolarHBondContact O-N 3.27Å; H162-K164 PolarHBondContact O-N 2.78Å; K164-Y167 PolarHBondContact O-N 3.04Å; K164-A168 WeakPolarHBondContact O-CB 3.5Å; K164-A168 PolarHBondContact O-N 3.33Å
165R95.8Very high96.4Very high117 Ų11799 Ų9944%0.44248%0.479SS..Hα-helixtrans-62.1-49.8175.7-176.7-169.564.792.14.6110.9A161 H162 Y167 A168 E169A161-R165 WeakPolarHBondContact O-CB 3.43Å; A161-R165 PolarHBondContact O-N 3.03Å; H162-R165 PolarHBondContact CE1-NH2 2.97Å; H162-R165 PolarHBondContact ND1-NH2 2.68Å; H162-R165 PolarHBondContact O-N 3.17Å; R165-Y167 VanDerWaalsContact C-N 3.26Å; R165-Y167 PolarHBondContact O-N 3.4Å; R165-A168 PolarHBondContact O-N 3.47Å; R165-A168 VanDerWaalsContact O-N 3.14Å; R165-E169 HydrophobicContact CG-CG 4.42Å; R165-E169 WeakPolarHBondContact CG-OE1 3.35Å; R165-E169 IonicContact CZ-OE1 2.79Å; R165-E169 IonicContact CZ-OE2 2.73Å; R165-E169 IonicContact NE-OE1 2.73Å; R165-E169 IonicContact NH1-OE1 2.73Å; R165-E169 PolarHBondContact NH1-OE1 2.93Å; R165-E169 IonicContact NH1-OE2 2.89Å; R165-E169 PolarHBondContact NH1-OE2 3.29Å; R165-E169 WeakPolarHBondContact O-CB 3.19Å; R165-E169 WeakPolarHBondContact O-CG 3.48Å; R165-E169 PolarHBondContact O-N 3.25Å
166V96Very high96.4Very high37 Ų3795 Ų9522%0.22447%0.469CS..Hα-helixtrans-59.1-39.2178.2171.60000111.1H162 D163 R170H162-V166 WeakPolarHBondContact O-CG2 3.44Å; H162-V166 PolarHBondContact O-N 2.97Å; D163-V166 PolarHBondContact O-N 3.35Å; V166-R170 WeakPolarHBondContact O-CG 3.37Å; V166-R170 PolarHBondContact O-N 2.65Å; V166-R170 VanDerWaalsContact O-N 3.14Å
167Y96.4Very high96.4Very high150 Ų15091.5 Ų91.559%0.58847%0.468SS*.Hα-helixtrans-65.3-45.4174.7178.7-100.2000112.8D163 K164 R165 R170 L171D163-Y167 WeakPolarHBondContact O-CB 3.49Å; D163-Y167 PolarHBondContact O-N 3.15Å; K164-Y167 PolarHBondContact O-N 3.04Å; R165-Y167 VanDerWaalsContact C-N 3.26Å; R165-Y167 PolarHBondContact O-N 3.4Å; Y167-R170 PolarHBondContact O-N 2.97Å; Y167-L171 HydrophobicContact CD1-CD1 4.06Å; Y167-L171 HydrophobicContact CE1-CD1 3.38Å; Y167-L171 HydrophobicContact CE1-CG 4.22Å; Y167-L171 PolarHBondContact O-N 3.25Å; Y167-L171 VanDerWaalsContact O-N 3.14Å
168A96Very high96.5Very high54 Ų5493.6 Ų93.645%0.44647%0.473SS..Hα-helixtrans-64.6-40.1177.900000112.4K164 R165 R170 L171 L172K164-A168 WeakPolarHBondContact O-CB 3.5Å; K164-A168 PolarHBondContact O-N 3.33Å; R165-A168 PolarHBondContact O-N 3.47Å; R165-A168 VanDerWaalsContact O-N 3.14Å; A168-R170 VanDerWaalsContact C-N 3.35Å; A168-R170 PolarHBondContact O-N 2.98Å; A168-L171 PolarHBondContact O-N 2.88Å; A168-L172 WeakPolarHBondContact O-CB 3.29Å; A168-L172 PolarHBondContact O-N 3.05Å
169E96.8Very high96.5Very high95 Ų9594 Ų9444%0.44447%0.47SS..Hα-helixtrans-62.8-39.5175.8-76.2173.1-178.900112R165 L172 H173R165-E169 HydrophobicContact CG-CG 4.42Å; R165-E169 WeakPolarHBondContact CG-OE1 3.35Å; R165-E169 IonicContact CZ-OE1 2.79Å; R165-E169 IonicContact CZ-OE2 2.73Å; R165-E169 IonicContact NE-OE1 2.73Å; R165-E169 IonicContact NH1-OE1 2.73Å; R165-E169 PolarHBondContact NH1-OE1 2.93Å; R165-E169 IonicContact NH1-OE2 2.89Å; R165-E169 PolarHBondContact NH1-OE2 3.29Å; R165-E169 WeakPolarHBondContact O-CB 3.19Å; R165-E169 WeakPolarHBondContact O-CG 3.48Å; R165-E169 PolarHBondContact O-N 3.25Å; E169-L172 PolarHBondContact O-N 2.99Å; E169-H173 WeakPolarHBondContact O-CB 3.25Å; E169-H173 PolarHBondContact O-N 3.44Å
170R97.1Very high96.5Very high163 Ų16393.3 Ų93.362%0.61547%0.471SS*.Hα-helixtrans-61.9-47.5173.3-73.9177.3-169.41725.1111.8V166 Y167 A168 L172 H173 E174V166-R170 WeakPolarHBondContact O-CG 3.37Å; V166-R170 PolarHBondContact O-N 2.65Å; V166-R170 VanDerWaalsContact O-N 3.14Å; Y167-R170 PolarHBondContact O-N 2.97Å; A168-R170 VanDerWaalsContact C-N 3.35Å; A168-R170 PolarHBondContact O-N 2.98Å; R170-L172 VanDerWaalsContact C-N 3.32Å; R170-L172 PolarHBondContact O-N 2.84Å; R170-H173 PolarHBondContact O-N 3.26Å; R170-E174 WeakPolarHBondContact O-CG 3.39Å; R170-E174 PolarHBondContact O-N 3.36Å
171L97.2Very high96.4Very high78 Ų7896 Ų9641%0.40849%0.486SS..Hα-helixtrans-62.8-38.7177.5-73.3178.6000112.5Y167 A168 E174 A175Y167-L171 HydrophobicContact CD1-CD1 4.06Å; Y167-L171 HydrophobicContact CE1-CD1 3.38Å; Y167-L171 HydrophobicContact CE1-CG 4.22Å; Y167-L171 PolarHBondContact O-N 3.25Å; Y167-L171 VanDerWaalsContact O-N 3.14Å; A168-L171 PolarHBondContact O-N 2.88Å; L171-E174 PolarHBondContact O-N 3Å; L171-A175 WeakPolarHBondContact O-CB 3.39Å; L171-A175 PolarHBondContact O-N 3.49Å
172L97Very high96.5Very high104 Ų10498 Ų9855%0.54549%0.489SS..Hα-helixtrans-64.3-43.1175.6-178.1149000111.1A168 E169 R170 E174 A175 N176A168-L172 WeakPolarHBondContact O-CB 3.29Å; A168-L172 PolarHBondContact O-N 3.05Å; E169-L172 PolarHBondContact O-N 2.99Å; R170-L172 VanDerWaalsContact C-N 3.32Å; R170-L172 PolarHBondContact O-N 2.84Å; L172-E174 PolarHBondContact O-N 3.42Å; L172-A175 PolarHBondContact O-N 3.21Å; L172-N176 WeakPolarHBondContact CD2-ND2 3.32Å; L172-N176 WeakPolarHBondContact O-CB 3.47Å; L172-N176 PolarHBondContact O-N 3.48Å
173H96.6Very high96.5Very high145 Ų14598 Ų9867%0.67149%0.489SS*.Hα-helixtrans-60.8-43.5175.8-17371.3000111.9E169 R170 N176 G177E169-H173 WeakPolarHBondContact O-CB 3.25Å; E169-H173 PolarHBondContact O-N 3.44Å; R170-H173 PolarHBondContact O-N 3.26Å; H173-N176 PolarHBondContact O-N 2.87Å; H173-G177 PolarHBondContact O-N 2.67Å
174E96.6Very high96.5Very high113 Ų11396.6 Ų96.653%0.52849%0.489SS..Hα-helixtrans-64.3-39175.3-70.5177.5-162.800113.1R170 L171 L172 K178R170-E174 WeakPolarHBondContact O-CG 3.39Å; R170-E174 PolarHBondContact O-N 3.36Å; L171-E174 PolarHBondContact O-N 3Å; L172-E174 PolarHBondContact O-N 3.42Å; E174-K178 WeakPolarHBondContact O-CG 3.36Å; E174-K178 PolarHBondContact O-N 2.79Å
175A96.4Very high96.3Very high47 Ų4796 Ų9639%0.38849%0.488SS..Hα-helixtrans-69-43.617700000111.8L171 L172 G177 K178 V179L171-A175 WeakPolarHBondContact O-CB 3.39Å; L171-A175 PolarHBondContact O-N 3.49Å; L172-A175 PolarHBondContact O-N 3.21Å; A175-G177 VanDerWaalsContact C-N 3.33Å; A175-G177 PolarHBondContact O-N 2.89Å; A175-K178 WeakPolarHBondContact O-CB 3.48Å; A175-K178 PolarHBondContact O-N 3.14Å; A175-K178 VanDerWaalsContact O-N 3.1Å; A175-V179 WeakPolarHBondContact O-CG2 3.13Å; A175-V179 PolarHBondContact O-N 2.93Å
176N97Very high96.3Very high80 Ų8094.9 Ų94.943%0.42850%0.495SS..Hα-helixtrans-60.3-42.8175.7-77.7-10.4000111.3L172 H173 K178 V179 D180L172-N176 WeakPolarHBondContact CD2-ND2 3.32Å; L172-N176 WeakPolarHBondContact O-CB 3.47Å; L172-N176 PolarHBondContact O-N 3.48Å; H173-N176 PolarHBondContact O-N 2.87Å; N176-K178 VanDerWaalsContact C-N 3.26Å; N176-K178 PolarHBondContact O-N 3.44Å; N176-V179 PolarHBondContact O-N 3.44Å; N176-V179 VanDerWaalsContact O-N 3.09Å; N176-D180 PolarHBondContact O-N 2.82Å
177G96.8Very high96.2Very high39 Ų3999.7 Ų99.740%0.40251%0.512SS..Hα-helixtrans-58.7-35.2174.100000113.7H173 A175 M181H173-G177 PolarHBondContact O-N 2.67Å; A175-G177 VanDerWaalsContact C-N 3.33Å; A175-G177 PolarHBondContact O-N 2.89Å; G177-M181 PolarHBondContact O-N 3.21Å
178K97.2Very high96.1Very high133 Ų13395.1 Ų95.158%0.57851%0.506SS*.Hα-helixtrans-71.7-40.5173.4-68170.6-173.8166.80112E174 A175 N176 M181 L182E174-K178 WeakPolarHBondContact O-CG 3.36Å; E174-K178 PolarHBondContact O-N 2.79Å; A175-K178 WeakPolarHBondContact O-CB 3.48Å; A175-K178 PolarHBondContact O-N 3.14Å; A175-K178 VanDerWaalsContact O-N 3.1Å; N176-K178 VanDerWaalsContact C-N 3.26Å; N176-K178 PolarHBondContact O-N 3.44Å; K178-M181 PolarHBondContact O-N 3.21Å; K178-L182 VanDerWaalsContact O-CG 3.31Å; K178-L182 WeakPolarHBondContact O-CG 3.41Å; K178-L182 PolarHBondContact O-N 3.28Å
179V96.7Very high95.9Very high65 Ų6597.3 Ų97.339%0.39451%0.509SS..Hα-helixtrans-63.6-43.9177.1172.10000110.6A175 N176 M181 L182 Q183A175-V179 WeakPolarHBondContact O-CG2 3.13Å; A175-V179 PolarHBondContact O-N 2.93Å; N176-V179 PolarHBondContact O-N 3.44Å; N176-V179 VanDerWaalsContact O-N 3.09Å; V179-M181 VanDerWaalsContact C-N 3.35Å; V179-M181 PolarHBondContact O-N 3.44Å; V179-L182 PolarHBondContact O-N 3.21Å; V179-Q183 HydrophobicContact CG1-CG 4.14Å; V179-Q183 WeakPolarHBondContact O-CB 3.49Å; V179-Q183 VanDerWaalsContact O-CG 3.3Å; V179-Q183 WeakPolarHBondContact O-CG 3.15Å; V179-Q183 PolarHBondContact O-N 3.47Å
180D96.4Very high95.7Very high98 Ų9899 Ų9952%0.52452%0.515SS..Hα-helixtrans-62.4-42.1178.5-70.4-21.8000111.8N176 Q183 A184N176-D180 PolarHBondContact O-N 2.82Å; D180-Q183 PolarHBondContact O-N 2.66Å; D180-A184 WeakPolarHBondContact O-CB 3.21Å; D180-A184 PolarHBondContact O-N 2.97Å
181M94.6Very high95.3Very high133 Ų13395.7 Ų95.766%0.65551%0.513SS*.Hα-helixtrans-59.5-48.8173.6-174.8-170-59.400111.6G177 K178 V179 A184 E185G177-M181 PolarHBondContact O-N 3.21Å; K178-M181 PolarHBondContact O-N 3.21Å; V179-M181 VanDerWaalsContact C-N 3.35Å; V179-M181 PolarHBondContact O-N 3.44Å; M181-A184 PolarHBondContact O-N 3.41Å; M181-E185 PolarHBondContact O-N 2.95Å
182L96.5Very high94.7Very high98 Ų9897.3 Ų97.351%0.51352%0.522SS..Hα-helixtrans-67.2-37.4179.4-70.2173.7000112.1K178 V179 A184 E185 V186K178-L182 VanDerWaalsContact O-CG 3.31Å; K178-L182 WeakPolarHBondContact O-CG 3.41Å; K178-L182 PolarHBondContact O-N 3.28Å; V179-L182 PolarHBondContact O-N 3.21Å; L182-A184 VanDerWaalsContact C-N 3.33Å; L182-E185 PolarHBondContact O-N 2.94Å; L182-V186 WeakPolarHBondContact O-CB 3.44Å; L182-V186 VanDerWaalsContact O-CG2 3.3Å; L182-V186 WeakPolarHBondContact O-CG2 3.37Å; L182-V186 PolarHBondContact O-N 3.5Å
183Q96.4Very high94.2Very high95 Ų9598.6 Ų98.644%0.44453%0.525SS..Hα-helixtrans-63.9-39.6174.4-76.2-174.61100111.4V179 D180 K187V179-Q183 HydrophobicContact CG1-CG 4.14Å; V179-Q183 WeakPolarHBondContact O-CB 3.49Å; V179-Q183 VanDerWaalsContact O-CG 3.3Å; V179-Q183 WeakPolarHBondContact O-CG 3.15Å; V179-Q183 PolarHBondContact O-N 3.47Å; D180-Q183 PolarHBondContact O-N 2.66Å; Q183-K187 VanDerWaalsContact O-CB 3.32Å; Q183-K187 WeakPolarHBondContact O-CB 3.44Å; Q183-K187 WeakPolarHBondContact O-CG 3.45Å; Q183-K187 PolarHBondContact O-N 2.84Å
184A95.6Very high93.1Very high60 Ų6097.7 Ų97.750%0.49652%0.519SS..Hα-helixtrans-64-42174.200000111.6D180 M181 L182 K187 A188D180-A184 WeakPolarHBondContact O-CB 3.21Å; D180-A184 PolarHBondContact O-N 2.97Å; M181-A184 PolarHBondContact O-N 3.41Å; L182-A184 VanDerWaalsContact C-N 3.33Å; A184-K187 PolarHBondContact O-N 3.44Å; A184-A188 WeakPolarHBondContact O-CB 3.41Å; A184-A188 PolarHBondContact O-N 2.93Å
185E94.1Very high92Very high111 Ų11196 Ų9652%0.51952%0.52SS..Hα-helixtrans-63.4-46.9175.9-171.1178.2179.300112M181 L182 K187 A188 L189M181-E185 PolarHBondContact O-N 2.95Å; L182-E185 PolarHBondContact O-N 2.94Å; E185-K187 PolarHBondContact O-N 3.38Å; E185-A188 PolarHBondContact O-N 3.34Å; E185-L189 HydrophobicContact CG-CD1 4.25Å; E185-L189 WeakPolarHBondContact O-CG 3.34Å; E185-L189 PolarHBondContact O-N 2.87Å
186V95.5Very high90.7Very high95 Ų9597.6 Ų97.658%0.57653%0.528SS*.Hα-helixtrans-62.8-41.1176.6171.20000111.4L182 L189 K190L182-V186 WeakPolarHBondContact O-CB 3.44Å; L182-V186 VanDerWaalsContact O-CG2 3.3Å; L182-V186 WeakPolarHBondContact O-CG2 3.37Å; L182-V186 PolarHBondContact O-N 3.5Å; V186-L189 PolarHBondContact O-N 2.66Å; V186-K190 WeakPolarHBondContact O-CB 3.49Å; V186-K190 PolarHBondContact O-N 2.88Å
187K93.5Very high89.1Confident137 Ų13797.9 Ų97.960%0.59653%0.533SS*.Hα-helixtrans-61.4-44.6174.6-76.9170.5-176.4171.10111.1Q183 A184 E185 K190 V191Q183-K187 VanDerWaalsContact O-CB 3.32Å; Q183-K187 WeakPolarHBondContact O-CB 3.44Å; Q183-K187 WeakPolarHBondContact O-CG 3.45Å; Q183-K187 PolarHBondContact O-N 2.84Å; A184-K187 PolarHBondContact O-N 3.44Å; E185-K187 PolarHBondContact O-N 3.38Å; K187-K190 PolarHBondContact O-N 2.88Å; K187-V191 WeakPolarHBondContact O-CG2 3.32Å; K187-V191 PolarHBondContact O-N 3.22Å
188A94.2Very high87Confident55 Ų55102.6 Ų102.646%0.45555%0.549SS..Hα-helixtrans-63-4417700000112.3A184 E185 K190 V191 L192A184-A188 WeakPolarHBondContact O-CB 3.41Å; A184-A188 PolarHBondContact O-N 2.93Å; E185-A188 PolarHBondContact O-N 3.34Å; A188-K190 VanDerWaalsContact C-N 3.34Å; A188-K190 PolarHBondContact O-N 3.3Å; A188-V191 PolarHBondContact O-N 2.89Å; A188-L192 PolarHBondContact O-N 2.96Å
189L92.5Very high84.7Confident99 Ų99100.5 Ų100.552%0.51855%0.551SS.*Hα-helixtrans-63.9-37176.5-71.6172.3000112.4E185 V186 V191 L192 Q193E185-L189 HydrophobicContact CG-CD1 4.25Å; E185-L189 WeakPolarHBondContact O-CG 3.34Å; E185-L189 PolarHBondContact O-N 2.87Å; V186-L189 PolarHBondContact O-N 2.66Å; L189-V191 VanDerWaalsContact C-N 3.34Å; L189-V191 PolarHBondContact O-N 3.16Å; L189-L192 PolarHBondContact O-N 2.92Å; L189-Q193 PolarHBondContact O-N 3.42Å
190K92.3Very high82.4Confident130 Ų130105.3 Ų105.357%0.56557%0.567SS**Hα-helixtrans-64.1-37.6177.2-168.1171.4-176.81760112.3V186 K187 A188 Q193 F194V186-K190 WeakPolarHBondContact O-CB 3.49Å; V186-K190 PolarHBondContact O-N 2.88Å; K187-K190 PolarHBondContact O-N 2.88Å; A188-K190 VanDerWaalsContact C-N 3.34Å; A188-K190 PolarHBondContact O-N 3.3Å; K190-Q193 PolarHBondContact O-N 3.16Å; K190-F194 HydrophobicContact CG-CD2 4.35Å; K190-F194 HydrophobicContact CG-CE2 4.49Å; K190-F194 PolarHBondContact O-N 3.3Å; K190-F194 VanDerWaalsContact O-N 3.16Å
191V88.5Confident79.8Confident95 Ų95110.7 Ų110.758%0.57659%0.586SS**Hα-helixtrans-63.9-45.6174.8174.40000110.7K187 A188 L189 Q193 F194 S195K187-V191 WeakPolarHBondContact O-CG2 3.32Å; K187-V191 PolarHBondContact O-N 3.22Å; A188-V191 PolarHBondContact O-N 2.89Å; L189-V191 VanDerWaalsContact C-N 3.34Å; L189-V191 PolarHBondContact O-N 3.16Å; V191-Q193 VanDerWaalsContact C-N 3.31Å; V191-Q193 PolarHBondContact O-N 3.02Å; V191-F194 PolarHBondContact O-N 2.81Å; V191-S195 PolarHBondContact O-N 2.83Å; V191-S195 VanDerWaalsContact O-N 3.12Å; V191-S195 PolarHBondContact O-OG 3.5Å
192L84.8Confident77.1Confident111 Ų111109.7 Ų109.758%0.58159%0.592SS**Hα-helixtrans-63.5-35.4178.9-67.4174.7000112.8A188 L189 S196A188-L192 PolarHBondContact O-N 2.96Å; L189-L192 PolarHBondContact O-N 2.92Å; L192-S196 PolarHBondContact O-N 3.29Å; L192-S196 PolarHBondContact O-OG 2.88Å
193Q84.9Confident74.4Confident131 Ų131111 Ų11161%0.61260%0.604SS**Hα-helixtrans-67.7-43.3175.8-171.9176.81.500112L189 K190 V191 S195 S196 T197L189-Q193 PolarHBondContact O-N 3.42Å; K190-Q193 PolarHBondContact O-N 3.16Å; V191-Q193 VanDerWaalsContact C-N 3.31Å; V191-Q193 PolarHBondContact O-N 3.02Å; Q193-S195 VanDerWaalsContact C-N 3.3Å; Q193-S195 PolarHBondContact O-N 3.36Å; Q193-S196 WeakPolarHBondContact O-CB 3.42Å; Q193-S196 PolarHBondContact O-N 3.11Å; Q193-T197 PolarHBondContact O-N 3.2Å; Q193-T197 PolarHBondContact O-OG1 3.29Å
194F74.6Confident71.5Confident126 Ų126117.8 Ų117.855%0.55363%0.625SS**Hα-helixtrans-62.8-36176.9-99.1-79.4000112.6K190 V191 S196K190-F194 HydrophobicContact CG-CD2 4.35Å; K190-F194 HydrophobicContact CG-CE2 4.49Å; K190-F194 PolarHBondContact O-N 3.3Å; K190-F194 VanDerWaalsContact O-N 3.16Å; V191-F194 PolarHBondContact O-N 2.81Å; F194-S196 PolarHBondContact O-N 3.29Å
195S73.8Confident68.6Low79 Ų79119.3 Ų119.355%0.55263%0.632SS**Hα-helixtrans-65.2-28.3172.6-57.10000112.8V191 Q193V191-S195 PolarHBondContact O-N 2.83Å; V191-S195 VanDerWaalsContact O-N 3.12Å; V191-S195 PolarHBondContact O-OG 3.5Å; Q193-S195 VanDerWaalsContact C-N 3.3Å; Q193-S195 PolarHBondContact O-N 3.36Å
196S69.6Low66Low80 Ų80125.1 Ų125.156%0.55965%0.651SS**Hα-helixtrans-84-27.1-177.1-58.50000113.5L192 Q193 F194L192-S196 PolarHBondContact O-N 3.29Å; L192-S196 PolarHBondContact O-OG 2.88Å; Q193-S196 WeakPolarHBondContact O-CB 3.42Å; Q193-S196 PolarHBondContact O-N 3.11Å; F194-S196 PolarHBondContact O-N 3.29Å
197T61.9Low63.2Low85 Ų85126.1 Ų126.152%0.52166%0.662SS.*Hα-helixtrans-95.6-12.6-175.555.70000115.1Q193Q193-T197 PolarHBondContact O-N 3.2Å; Q193-T197 PolarHBondContact O-OG1 3.29Å
198N53.7Low60.8Low139 Ų139124.7 Ų124.774%0.74367%0.667SS**THydrogen-bonded Turntrans-87.60.6178.5-94.56.8000115.1
199S48.4Very low58.5Low89 Ų89127.7 Ų127.762%0.62268%0.679SS**THydrogen-bonded Turntrans-91.412.4-176.9-58.30000115.9
200F47.5Very low56.2Low166 Ų166131.3 Ų131.373%0.72869%0.691SS**SBendtrans-126.486.6178.5-59.2-78.8000111.6
201K41.8Very low53.9Low211 Ų211132.6 Ų132.692%0.91770%0.703SS**SBendtrans145.993.1149.7-78.8160.8-169.5-175.80109.8
202S39.2Very low51.8Low111 Ų111134.6 Ų134.678%0.77670%0.704SS**  trans159.2108.7130.7-167.70000111.4
203V39.2Very low49.6Very low127 Ų127139.4 Ų139.477%0.7771%0.714SS**  trans64.693141.7-170.50000119
204R36.7Very low47.4Very low236 Ų236142 Ų14289%0.89172%0.724SS**  36.9131.2115.4-126.9174.1-162.4-162.93.3119.6
205S34.5Very low45.7Very low92 Ų92144.4 Ų144.464%0.64374%0.742SS**  trans71.4104.9162.8670000117.5
206Y39.7Very low43.5Very low234 Ų234145.1 Ų145.192%0.91875%0.746SS**  -168.5152.994.7-93.4-80.4000109.6
207S36Very low42.1Very low115 Ų115149.6 Ų149.680%0.80476%0.763SS**  trans-78.5156.5-156.7176.70000115.9
208P43.5Very low41Very low107 Ų107149.8 Ų149.870%0.69577%0.768SS**  trans-112.3152.6-163.938.9-27.4000114.4
209V45Very low40.3Very low118 Ų118151.5 Ų151.572%0.71577%0.772SS**  trans-156.8117.4159-170.30000113
210K44.1Very low39.6Very low176 Ų176150.4 Ų150.477%0.76578%0.775SS**  trans60.4118.3146.7-61.4167.1-163.6170.40120.7
211L44Very low39.3Very low156 Ų156151.8 Ų151.882%0.81778%0.78SS**  -168108.5110.6-104.2146.9000114.8
212F44.5Very low39.3Very low137 Ų137152.7 Ų152.760%0.60178%0.778SS**  trans58.4112136-75.4-119000121.8
213R39.7Very low39.3Very low212 Ų212153 Ų15380%0.878%0.78SS**  82.7103.2102.1-76.9-168.4-171.6153.50.7113.7
214K37.7Very low39.4Very low185 Ų185151.9 Ų151.980%0.80478%0.778SS**  66.8101.273.1-166.7176.2-171.7177.70113.8
215L39Very low39.7Very low178 Ų178145.9 Ų145.993%0.93277%0.772SS**  trans-144.3108.4140.9-83172.3000108.6
216S28.8Very low39.9Very low93 Ų93150.2 Ų150.265%0.6578%0.78SS**  trans-114.9124.2164.352.50000105.6
217L39.2Very low39.9Very low174 Ų174142.8 Ų142.891%0.91176%0.762SS**  trans-126135.7163.6-139.891.7000109.1
218S39.7Very low39.9Very low90 Ų90146.2 Ų146.263%0.62976%0.763SS**  trans-93.3-174.4-16849.60000112.8
219E37.2Very low39.6Very low174 Ų174147.9 Ų147.981%0.81377%0.765SS**  trans81123.5174.6-9189-175.700115.6
220G34.6Very low39.2Very low67 Ų67146.4 Ų146.469%0.69176%0.76SS**  cis142122.27.600000110.3
221K41.5Very low39.1Very low194 Ų194145.5 Ų145.584%0.84376%0.758SS**  trans169.2105147.1-96.1162.3-178175.10109.5
222R40.7Very low38.8Very low231 Ų231148 Ų14887%0.87276%0.757SS**  75.2100.499.4-75.9-176134.699.11113
223S40.2Very low38.6Very low117 Ų117151.2 Ų151.282%0.81877%0.765SS**  92.5136102.3-147.70000109.8
224S41.4Very low38.5Very low104 Ų104147.3 Ų147.373%0.72776%0.76SS**  cis-170.2147.433.249.40000111.6
225S43.6Very low38.6Very low110 Ų110145.9 Ų145.977%0.76976%0.76SS**  trans59.7106.9143.4-124.60000122.3
226F36.9Very low38.7Very low182 Ų182142.3 Ų142.380%0.79875%0.75SS**  trans-73.4161.4144.448-85.7000111.5
227S39.8Very low39Very low79 Ų79145.9 Ų145.955%0.55276%0.762SS**  trans119.2148.3161.8-67.30000115.9
228F36.4Very low38.8Very low187 Ų187141 Ų14182%0.8275%0.754SS**  trans87.9126.8166.7-47.5-66000114
229L38.6Very low38.7Very low142 Ų142143.5 Ų143.574%0.74377%0.766SS**  cis-164131.114-81128.6000106.4
230S34.8Very low38.8Very low86 Ų86141.5 Ų141.560%0.60177%0.765SS**  37.5133.694.271.50000119.2
231H43.6Very low38.8Very low158 Ų158145.8 Ų145.873%0.73177%0.772SS**  trans113.5135.6164.6-68.5-47.4000113.9
232R37.1Very low38.6Very low207 Ų207146.4 Ų146.478%0.78178%0.775SS**  cis-165.3132.611.9-108.1171.9-170.9-1157.6105.7
233R40.7Very low38.4Very low206 Ų206139.9 Ų139.978%0.77777%0.77SS**  60.4125.891.7-75.9-169-164.6151.25118.4
234N36.8Very low38.3Very low129 Ų129140.7 Ų140.769%0.6977%0.771SS**  trans83.7115.4141.8-62.2-12.9000117.9
235L39.6Very low37.9Very low155 Ų155139.1 Ų139.181%0.81277%0.771SS**  81.812475.1-94.7145.1000113.7
236S41.1Very low37.8Very low103 Ų103145 Ų14572%0.7278%0.778SS**  trans106.5122.6147.8-49.80000119.4
237D35Very low37.9Very low169 Ų169145.5 Ų145.590%0.90478%0.783SS**  trans61125.3145-78.2-23.8000121.7
238G35.3Very low37.9Very low72 Ų72148.3 Ų148.374%0.74279%0.792SS**  trans168.771.7166.300000113.8T240G238-T240 PolarHBondContact O-N 2.8Å; G238-T240 VanDerWaalsContact O-N 3.15Å
239T37.2Very low38.1Very low142 Ų142146.4 Ų146.487%0.87179%0.79SS**  trans-59.9107.4166.2-53.50000110.4
240T40.4Very low38.4Very low132 Ų132144.1 Ų144.181%0.8179%0.786SS**  trans-159131.3154.646.80000112.5G238G238-T240 PolarHBondContact O-N 2.8Å; G238-T240 VanDerWaalsContact O-N 3.15Å
241N34.1Very low38.9Very low156 Ų156146 Ų14683%0.83479%0.788SS**  trans-48.3136.9170.4-57.9-39.8000114.5
242K36.9Very low39.3Very low208 Ų208141.1 Ų141.190%0.90477%0.772SS**  158.2153.8128.6-96.3175.7172.6178.30112
243A37.5Very low40.3Very low93 Ų93135.3 Ų135.377%0.76975%0.753SS**  trans96.388.9159.100000116.3G245A243-G245 PolarHBondContact O-N 2.73Å
244T37.6Very low41.1Very low135 Ų135127.6 Ų127.683%0.82873%0.733SS**  trans-28.7115.5142.947.90000113.5
245G33.6Very low42.1Very low71 Ų71127.6 Ų127.673%0.73273%0.733SS**  trans-97.8125.7163.400000109.6A243A243-G245 PolarHBondContact O-N 2.73Å
246Y39.8Very low43.5Very low234 Ų234125 Ų12592%0.91873%0.726SS**  trans-72.5115.8167.5-78.7-100.3000108
247E40.7Very low45.1Very low192 Ų192121.6 Ų121.690%0.89770%0.7SS**  trans-97.5118.6162.9-68.6-106.6129.100107.2D249E247-D249 PolarHBondContact O-N 3.42Å
248D39.5Very low47.5Very low138 Ų138122.6 Ų122.674%0.73870%0.699SS**  trans-7295.8178177.623.2000109.9S250D248-S250 VanDerWaalsContact C-N 3.27Å; D248-S250 PolarHBondContact O-N 3.43Å; D248-S250 WeakPolarHBondContact OD1-CB 3.34Å; D248-S250 PolarHBondContact OD1-OG 3.03Å
249D39.1Very low50Low146 Ų146120.6 Ų120.678%0.78167%0.671SS**  trans-87.863.4174.9-16227.8000110E247 L251E247-D249 PolarHBondContact O-N 3.42Å; D249-L251 VanDerWaalsContact C-N 3.31Å; D249-L251 PolarHBondContact O-N 3.48Å
250S45.2Very low52.5Low95 Ų95117 Ų11766%0.66465%0.647SS**  trans-92.242.4178.5-71.20000112.7D248 S252D248-S250 VanDerWaalsContact C-N 3.27Å; D248-S250 PolarHBondContact O-N 3.43Å; D248-S250 WeakPolarHBondContact OD1-CB 3.34Å; D248-S250 PolarHBondContact OD1-OG 3.03Å; S250-S252 PolarHBondContact O-N 3.44Å
251L46Very low54.9Low125 Ų125115.2 Ų115.265%0.65464%0.637SS**  trans-73.1119.7159.7-72.2176.6000108D249 F253D249-L251 VanDerWaalsContact C-N 3.31Å; D249-L251 PolarHBondContact O-N 3.48Å; L251-F253 PolarHBondContact O-N 3.44Å
252S52.7Low57.7Low56 Ų56112.6 Ų112.639%0.39262%0.622SS.*  trans-55.9128.1178.194.80000108.2S250 A254 D255S250-S252 PolarHBondContact O-N 3.44Å; S252-A254 PolarHBondContact O-N 3.27Å; S252-D255 PolarHBondContact O-N 3.07Å; S252-D255 PolarHBondContact OG-N 3.4Å; S252-D255 PolarHBondContact OG-OD2 3.45Å
253F57.4Low60.3Low85 Ų85103.1 Ų103.137%0.37358%0.582SS.*G310 helixtrans-52.3-27.3-180-179.8-110.9000111.1L251 I257 K464 R467L251-F253 PolarHBondContact O-N 3.44Å; F253-I257 HydrophobicContact CD1-CD1 3.45Å; F253-I257 VanDerWaalsContact CD1-CD1 3.45Å; F253-I257 HydrophobicContact CD1-CG1 4.3Å; F253-I257 HydrophobicContact CE1-CD1 3.32Å; F253-I257 HydrophobicContact CE1-CG1 4.03Å; F253-I257 HydrophobicContact CE2-CG1 4.47Å; F253-I257 HydrophobicContact CG-CD1 4.12Å; F253-I257 HydrophobicContact CZ-CD1 3.92Å; F253-I257 HydrophobicContact CZ-CG1 4.12Å; F253-I257 WeakPolarHBondContact O-CD1 3.36Å; F253-I257 WeakPolarHBondContact O-CG1 3.29Å; F253-K464 HydrophobicContact CD1-CD 4.32Å; F253-K464 HydrophobicContact CD1-CG 3.75Å; F253-K464 HydrophobicContact CE1-CG 3.58Å; F253-R467 VanDerWaalsContact CD2-NH1 3.33Å
254A57.4Low62.9Low43 Ų43101 Ų10136%0.35556%0.556SS.*G310 helixtrans-66-34.2178.200000114.4S252 C256S252-A254 PolarHBondContact O-N 3.27Å; A254-C256 PolarHBondContact O-N 3.43Å
255D58.1Low65.5Low130 Ų13098.5 Ų98.570%0.69554%0.543SS*.G310 helixtrans-78.5-5.9-172.2-65.6-41.7000114S252S252-D255 PolarHBondContact O-N 3.07Å; S252-D255 PolarHBondContact OG-N 3.4Å; S252-D255 PolarHBondContact OG-OD2 3.45Å
256C68Low68.4Low99 Ų9996.8 Ų96.867%0.66952%0.516SS*.G310 helixtrans-121.210.5-179.2-66.30000113.8A254A254-C256 PolarHBondContact O-N 3.43Å
257I76.2Confident70.9Confident32 Ų3285.7 Ų85.716%0.16447%0.472CS..  trans-94111.3-179.8-62.7159.3000110.3F253 I259 V460F253-I257 HydrophobicContact CD1-CD1 3.45Å; F253-I257 VanDerWaalsContact CD1-CD1 3.45Å; F253-I257 HydrophobicContact CD1-CG1 4.3Å; F253-I257 HydrophobicContact CE1-CD1 3.32Å; F253-I257 HydrophobicContact CE1-CG1 4.03Å; F253-I257 HydrophobicContact CE2-CG1 4.47Å; F253-I257 HydrophobicContact CG-CD1 4.12Å; F253-I257 HydrophobicContact CZ-CD1 3.92Å; F253-I257 HydrophobicContact CZ-CG1 4.12Å; F253-I257 WeakPolarHBondContact O-CD1 3.36Å; F253-I257 WeakPolarHBondContact O-CG1 3.29Å; I257-I259 HydrophobicContact CG2-CG1 3.87Å; I257-V460 HydrophobicContact CD1-CG1 4.09Å
258E84.5Confident73.4Confident191 Ų19177.7 Ų77.789%0.89344%0.44SS*.  trans-84.9115.6160.7-168.5172.9-17800108.9
259I87Confident75.8Confident29 Ų2973.2 Ų73.215%0.14942%0.419CS..  trans-83.3127.9-176.8-68.9175.7000110I257 P261 H264 Y456 Y459 V460I257-I259 HydrophobicContact CG2-CG1 3.87Å; I259-P261 VanDerWaalsContact O-CD 3.26Å; I259-P261 WeakPolarHBondContact O-CD 3.24Å; I259-H264 HydrophobicContact CG2-CB 3.67Å; I259-Y456 HydrophobicContact CD1-CD2 3.63Å; I259-Y456 HydrophobicContact CD1-CE2 3.16Å; I259-Y456 HydrophobicContact CD1-CG 4.49Å; I259-Y456 HydrophobicContact CG1-CE2 4.33Å; I259-Y459 HydrophobicContact CD1-CD1 4.06Å; I259-Y459 HydrophobicContact CG1-CD1 4.38Å; I259-Y459 HydrophobicContact CG1-CE1 4.47Å; I259-Y459 HydrophobicContact CG2-CD1 3.75Å; I259-Y459 HydrophobicContact CG2-CE1 3.46Å; I259-Y459 VanDerWaalsContact CG2-CE1 3.46Å; I259-V460 HydrophobicContact CD1-CG2 3.86Å
260D90.3Very high78.4Confident67 Ų6766.3 Ų66.336%0.35838%0.382SS..  trans-60.4117.4171.8177.9-2.1000110.8I262 C263 H264D260-I262 VanDerWaalsContact C-N 3.26Å; D260-I262 PolarHBondContact O-N 2.92Å; D260-I262 WeakPolarHBondContact OD1-CB 3.48Å; D260-I262 PolarHBondContact OD1-N 2.94Å; D260-C263 HydrophobicContact CB-CB 4.22Å; D260-C263 PolarHBondContact O-N 3.32Å; D260-C263 PolarHBondContact OD2-SG 2.89Å; D260-H264 WeakPolarHBondContact O-CB 3.32Å; D260-H264 PolarHBondContact O-N 3.22Å
261P90.7Very high80.4Confident94 Ų9463.8 Ų63.861%0.6136%0.358SS*.Hα-helixtrans-59.2-33.4179.3-23.634.2000113.7I259 C265I259-P261 VanDerWaalsContact O-CD 3.26Å; I259-P261 WeakPolarHBondContact O-CD 3.24Å; P261-C265 WeakPolarHBondContact O-CB 3.26Å; P261-C265 PolarHBondContact O-N 3.44Å; P261-C265 PolarHBondContact O-SG 2.94Å
262I92.6Very high82.3Confident102 Ų10265.6 Ų65.652%0.52336%0.363SS..Hα-helixtrans-68.1-52.3-178.2-61.9170.8000109.2D260 H264 C265 E266D260-I262 VanDerWaalsContact C-N 3.26Å; D260-I262 PolarHBondContact O-N 2.92Å; D260-I262 WeakPolarHBondContact OD1-CB 3.48Å; D260-I262 PolarHBondContact OD1-N 2.94Å; I262-H264 VanDerWaalsContact C-N 3.29Å; I262-H264 PolarHBondContact O-N 3.24Å; I262-C265 PolarHBondContact O-N 3.3Å; I262-E266 WeakPolarHBondContact O-CG 3.48Å; I262-E266 PolarHBondContact O-N 3.21Å
263C91.9Very high83.9Confident8 Ų866.7 Ų66.75%0.05437%0.368CS..Hα-helixtrans-66.1-33.7-179.5-63.40000112D260 F267 R286 Y459D260-C263 HydrophobicContact CB-CB 4.22Å; D260-C263 PolarHBondContact O-N 3.32Å; D260-C263 PolarHBondContact OD2-SG 2.89Å; C263-F267 PolarHBondContact O-N 3.39Å; C263-R286 PolarHBondContact SG-NH1 3.33Å; C263-Y459 WeakPolarHBondContact CB-OH 3.25Å
264H92.4Very high85.2Confident48 Ų4867 Ų6722%0.22237%0.367CS..Hα-helixtrans-68-42.1175.2-178.3-91.9000112.3I259 D260 I262 F267 A268 Y459I259-H264 HydrophobicContact CG2-CB 3.67Å; D260-H264 WeakPolarHBondContact O-CB 3.32Å; D260-H264 PolarHBondContact O-N 3.22Å; I262-H264 VanDerWaalsContact C-N 3.29Å; I262-H264 PolarHBondContact O-N 3.24Å; H264-F267 PolarHBondContact O-N 2.59Å; H264-A268 WeakPolarHBondContact O-CB 3.28Å; H264-A268 PolarHBondContact O-N 2.92Å; H264-Y459 HydrophobicContact CB-CE1 4.37Å; H264-Y459 AromaticContact CD2-CD1 3.9Å; H264-Y459 AromaticContact CD2-CG 3.92Å
265C92.9Very high86.5Confident83 Ų8367.7 Ų67.756%0.56137%0.365SS*.Hα-helixtrans-61.9-42.3174.8-750000112.2P261 I262 F267 A268 S269P261-C265 WeakPolarHBondContact O-CB 3.26Å; P261-C265 PolarHBondContact O-N 3.44Å; P261-C265 PolarHBondContact O-SG 2.94Å; I262-C265 PolarHBondContact O-N 3.3Å; C265-F267 VanDerWaalsContact C-N 3.32Å; C265-F267 PolarHBondContact O-N 3.5Å; C265-A268 PolarHBondContact O-N 3.47Å; C265-S269 PolarHBondContact O-N 3.36Å
266E93.7Very high87.8Confident36 Ų3663.2 Ų63.217%0.16834%0.34CS..Hα-helixtrans-62.7-38.7174.6-69.6176.2-177.600112I262 S269 W270 H281 P282 F283 R286I262-E266 WeakPolarHBondContact O-CG 3.48Å; I262-E266 PolarHBondContact O-N 3.21Å; E266-S269 PolarHBondContact O-OG 2.87Å; E266-W270 PolarHBondContact O-N 2.85Å; E266-H281 PolarHBondContact O-CE1 2.67Å; E266-P282 HydrophobicContact CG-CB 4Å; E266-F283 HydrophobicContact CB-CB 4.05Å; E266-F283 WeakPolarHBondContact O-CB 3.49Å; E266-R286 IonicContact OE1-CZ 3.55Å; E266-R286 IonicContact OE1-NE 3.72Å; E266-R286 IonicContact OE1-NH2 2.71Å; E266-R286 PolarHBondContact OE1-NH2 3.32Å; E266-R286 IonicContact OE2-CZ 3.48Å; E266-R286 IonicContact OE2-NE 2.67Å; E266-R286 PolarHBondContact OE2-NE 2.94Å; E266-R286 IonicContact OE2-NH2 3.43Å; E266-R286 PolarHBondContact OE2-NH2 3.04Å
267F93.1Very high88.5Confident0 Ų063.8 Ų63.80%034%0.341CS..Hα-helixtrans-67.6-42.1175174.9-107.1000112.3C263 H264 C265 S269 W270 R271 F283 L446 I455 Y459 V462C263-F267 PolarHBondContact O-N 3.39Å; H264-F267 PolarHBondContact O-N 2.59Å; C265-F267 VanDerWaalsContact C-N 3.32Å; C265-F267 PolarHBondContact O-N 3.5Å; F267-S269 VanDerWaalsContact C-N 3.31Å; F267-S269 PolarHBondContact O-N 3.33Å; F267-W270 AromaticContact CD2-CE3 3.99Å; F267-W270 HydrophobicContact CD2-CE3 3.99Å; F267-W270 HydrophobicContact CD2-CZ3 4.49Å; F267-W270 AromaticContact CE2-CE3 3.83Å; F267-W270 HydrophobicContact CE2-CE3 3.83Å; F267-W270 AromaticContact CE2-CZ3 3.91Å; F267-W270 HydrophobicContact CE2-CZ3 3.91Å; F267-W270 PolarHBondContact O-N 3.25Å; F267-R271 WeakPolarHBondContact O-CB 3.46Å; F267-R271 PolarHBondContact O-N 3.01Å; F267-F283 HydrophobicContact CB-CD2 3.91Å; F267-F283 HydrophobicContact CB-CE2 3.92Å; F267-F283 HydrophobicContact CD2-CD1 4.49Å; F267-F283 HydrophobicContact CD2-CD2 4.23Å; F267-F283 AromaticContact CD2-CE1 3.94Å; F267-F283 HydrophobicContact CD2-CE1 3.94Å; F267-F283 AromaticContact CD2-CE2 3.64Å; F267-F283 HydrophobicContact CD2-CE2 3.64Å; F267-F283 AromaticContact CD2-CZ 3.48Å; F267-F283 HydrophobicContact CD2-CZ 3.48Å; F267-F283 VanDerWaalsContact CD2-CZ 3.48Å; F267-F283 HydrophobicContact CE2-CE1 4.5Å; F267-F283 HydrophobicContact CE2-CZ 4.11Å; F267-F283 HydrophobicContact CG-CE2 4.23Å; F267-F283 HydrophobicContact CG-CZ 4.48Å; F267-L446 HydrophobicContact CE2-CD1 4.33Å; F267-L446 HydrophobicContact CZ-CD1 4.17Å; F267-I455 HydrophobicContact CD1-CG2 4.18Å; F267-I455 HydrophobicContact CE1-CG2 4.19Å; F267-Y459 HydrophobicContact CB-CD2 3.46Å; F267-Y459 VanDerWaalsContact CB-CD2 3.46Å; F267-Y459 HydrophobicContact CB-CE2 3.68Å; F267-Y459 AromaticContact CD1-CD2 3.52Å; F267-Y459 HydrophobicContact CD1-CD2 3.52Å; F267-Y459 HydrophobicContact CD1-CG 4.01Å; F267-Y459 HydrophobicContact CD2-CD2 4.07Å; F267-Y459 HydrophobicContact CE1-CD2 4.23Å; F267-Y459 HydrophobicContact CE1-CG 4.49Å; F267-Y459 AromaticContact CG-CD2 3.41Å; F267-Y459 HydrophobicContact CG-CD2 3.41Å; F267-Y459 VanDerWaalsContact CG-CD2 3.41Å; F267-Y459 HydrophobicContact CG-CE2 4.11Å; F267-Y459 HydrophobicContact CG-CG 4.34Å; F267-V462 HydrophobicContact CE2-CG2 3.92Å; F267-V462 HydrophobicContact CZ-CG2 4.35Å
268A91.8Very high88.9Confident25 Ų2565.2 Ų65.221%0.20735%0.349CS..Hα-helixtrans-60-42.4177.100000111.3H264 C265 R271 E272 I455H264-A268 WeakPolarHBondContact O-CB 3.28Å; H264-A268 PolarHBondContact O-N 2.92Å; C265-A268 PolarHBondContact O-N 3.47Å; A268-R271 WeakPolarHBondContact O-CB 3.38Å; A268-R271 PolarHBondContact O-N 3.37Å; A268-E272 PolarHBondContact O-N 3.42Å; A268-I455 HydrophobicContact CB-CG2 4.38Å
269S91.8Very high88.8Confident44 Ų4459.1 Ų59.131%0.30833%0.325SS..Hα-helixtrans-66.9-37.6175.477.70000112.5C265 E266 F267 R271 E272 H281C265-S269 PolarHBondContact O-N 3.36Å; E266-S269 PolarHBondContact O-OG 2.87Å; F267-S269 VanDerWaalsContact C-N 3.31Å; F267-S269 PolarHBondContact O-N 3.33Å; S269-R271 VanDerWaalsContact C-N 3.3Å; S269-R271 PolarHBondContact O-N 3.37Å; S269-E272 PolarHBondContact O-N 2.88Å; S269-H281 PolarHBondContact OG-CE1 3.14Å; S269-H281 PolarHBondContact OG-NE2 2.95Å; S269-H281 VanDerWaalsContact OG-NE2 3.16Å
270W92.8Very high88.8Confident0 Ų063.8 Ų63.80%035%0.346CS..Hα-helixtrans-63-40.3174.3178.271.5000111.3E266 F267 E272 T273 Y274 D275 I276 H281 F283 L443 L446E266-W270 PolarHBondContact O-N 2.85Å; F267-W270 AromaticContact CD2-CE3 3.99Å; F267-W270 HydrophobicContact CD2-CE3 3.99Å; F267-W270 HydrophobicContact CD2-CZ3 4.49Å; F267-W270 AromaticContact CE2-CE3 3.83Å; F267-W270 HydrophobicContact CE2-CE3 3.83Å; F267-W270 AromaticContact CE2-CZ3 3.91Å; F267-W270 HydrophobicContact CE2-CZ3 3.91Å; F267-W270 PolarHBondContact O-N 3.25Å; W270-E272 PolarHBondContact O-N 3.03Å; W270-T273 PolarHBondContact O-N 3.19Å; W270-T273 PolarHBondContact O-OG1 3.06Å; W270-Y274 PolarHBondContact O-N 3.07Å; W270-D275 PolarHBondContact NE1-O 3.39Å; W270-I276 HydrophobicContact CZ2-CG1 4.4Å; W270-H281 VanDerWaalsContact CB-CE1 3.45Å; W270-H281 WeakPolarHBondContact CB-CE1 3.4Å; W270-H281 PolarHBondContact N-CE1 3.04Å; W270-H281 PolarHBondContact N-NE2 3.25Å; W270-F283 HydrophobicContact CB-CB 4.02Å; W270-F283 HydrophobicContact CB-CD1 3.83Å; W270-F283 HydrophobicContact CB-CG 4.15Å; W270-F283 AromaticContact CD2-CD1 3.79Å; W270-F283 HydrophobicContact CD2-CD1 3.79Å; W270-F283 AromaticContact CD2-CE1 3.93Å; W270-F283 HydrophobicContact CD2-CE1 3.93Å; W270-F283 HydrophobicContact CE3-CD1 4.15Å; W270-F283 AromaticContact CE3-CE1 3.9Å; W270-F283 HydrophobicContact CE3-CE1 3.9Å; W270-F283 AromaticContact CG-CD1 3.62Å; W270-F283 HydrophobicContact CG-CD1 3.62Å; W270-F283 HydrophobicContact CG-CE1 4.26Å; W270-F283 HydrophobicContact CG-CG 4.41Å; W270-F283 HydrophobicContact CZ3-CE1 4.45Å; W270-L443 HydrophobicContact CH2-CB 4.02Å; W270-L443 HydrophobicContact CH2-CD2 3.63Å; W270-L443 HydrophobicContact CH2-CG 4.35Å; W270-L443 HydrophobicContact CZ2-CB 4.45Å; W270-L443 HydrophobicContact CZ2-CD2 4.37Å; W270-L443 HydrophobicContact CZ3-CD2 3.71Å; W270-L446 HydrophobicContact CZ3-CD1 4.35Å
271R87.6Confident88.8Confident42 Ų4261.7 Ų61.716%0.15833%0.334CS..Hα-helixtrans-62.4-22.5179.9-163.8-176.1176.1166.96.6113F267 A268 S269 Y274 H453 G454F267-R271 WeakPolarHBondContact O-CB 3.46Å; F267-R271 PolarHBondContact O-N 3.01Å; A268-R271 WeakPolarHBondContact O-CB 3.38Å; A268-R271 PolarHBondContact O-N 3.37Å; S269-R271 VanDerWaalsContact C-N 3.3Å; S269-R271 PolarHBondContact O-N 3.37Å; R271-Y274 HydrophobicContact CG-CE1 3.72Å; R271-Y274 WeakPolarHBondContact CG-OH 3.48Å; R271-Y274 PolarHBondContact NE-OH 2.73Å; R271-Y274 WeakPolarHBondContact O-CD2 3.35Å; R271-Y274 WeakPolarHBondContact O-CE2 3.3Å; R271-H453 PolarHBondContact NH1-O 3.44Å; R271-H453 PolarHBondContact NH2-O 3.2Å; R271-G454 PolarHBondContact NH1-O 3.46Å
272E86.3Confident88.9Confident163 Ų16360.5 Ų60.576%0.76233%0.326SS*.Hα-helixtrans-74.2-29.6173.9-66.5174.8178.600112.4A268 S269 W270A268-E272 PolarHBondContact O-N 3.42Å; S269-E272 PolarHBondContact O-N 2.88Å; W270-E272 PolarHBondContact O-N 3.03Å
273T85.3Confident88.9Confident80 Ų8055.9 Ų55.949%0.49130%0.302SS..Hα-helixtrans-95.8-29.7-177.164.30000113.6W270 D275W270-T273 PolarHBondContact O-N 3.19Å; W270-T273 PolarHBondContact O-OG1 3.06Å; T273-D275 PolarHBondContact O-N 3.17Å
274Y84.8Confident89Confident90 Ų9055.5 Ų55.535%0.35330%0.3SS..  trans51.916-174.1-66.9-72.1000115.2W270 R271 I276 L446 S447W270-Y274 PolarHBondContact O-N 3.07Å; R271-Y274 HydrophobicContact CG-CE1 3.72Å; R271-Y274 WeakPolarHBondContact CG-OH 3.48Å; R271-Y274 PolarHBondContact NE-OH 2.73Å; R271-Y274 WeakPolarHBondContact O-CD2 3.35Å; R271-Y274 WeakPolarHBondContact O-CE2 3.3Å; Y274-I276 PolarHBondContact O-N 2.84Å; Y274-L446 WeakPolarHBondContact CE1-O 3.42Å; Y274-S447 VanDerWaalsContact O-CB 3.27Å; Y274-S447 WeakPolarHBondContact O-CB 3.39Å
275D85.4Confident89Confident58 Ų5858.1 Ų58.131%0.3131%0.311SS..  trans-85.9106.1-176.3-172.60000110.3W270 T273 T277 N278W270-D275 PolarHBondContact NE1-O 3.39Å; T273-D275 PolarHBondContact O-N 3.17Å; D275-T277 VanDerWaalsContact C-N 3.31Å; D275-T277 WeakPolarHBondContact OD1-CA 3.42Å; D275-T277 WeakPolarHBondContact OD1-CB 3.38Å; D275-T277 PolarHBondContact OD1-N 3.37Å; D275-T277 PolarHBondContact OD1-OG1 3.5Å; D275-N278 HydrophobicContact CB-CB 4.22Å; D275-N278 PolarHBondContact OD1-N 2.96Å; D275-N278 WeakPolarHBondContact OD2-CB 3.44Å
276I84.7Confident89.1Confident36 Ų3657.2 Ų57.219%0.18530%0.295CS..SBendtrans-81.1-15176.5-145170.2000112.6W270 Y274 F440 L443 R444W270-I276 HydrophobicContact CZ2-CG1 4.4Å; Y274-I276 PolarHBondContact O-N 2.84Å; I276-F440 HydrophobicContact CD1-CD1 4.28Å; I276-L443 HydrophobicContact CD1-CB 3.54Å; I276-L443 HydrophobicContact CG1-CB 4.35Å; I276-R444 HydrophobicContact CD1-CG 3.68Å
277T82.2Confident89.1Confident111 Ų11155.5 Ų55.568%0.68129%0.287SS*.SBendtrans-84.1-22-178.871.40000112.2D275 T279D275-T277 VanDerWaalsContact C-N 3.31Å; D275-T277 WeakPolarHBondContact OD1-CA 3.42Å; D275-T277 WeakPolarHBondContact OD1-CB 3.38Å; D275-T277 PolarHBondContact OD1-N 3.37Å; D275-T277 PolarHBondContact OD1-OG1 3.5Å; T277-T279 VanDerWaalsContact C-N 3.34Å; T277-T279 PolarHBondContact O-N 3.47Å
278N84.5Confident89.1Confident63 Ų6357.3 Ų57.334%0.33730%0.295SS..  trans-76.180.6176.7-172.7-4.8000112.2D275 E280 H281 L284D275-N278 HydrophobicContact CB-CB 4.22Å; D275-N278 PolarHBondContact OD1-N 2.96Å; D275-N278 WeakPolarHBondContact OD2-CB 3.44Å; N278-E280 PolarHBondContact O-N 3.48Å; N278-E280 VanDerWaalsContact O-N 3.15Å; N278-E280 PolarHBondContact OD1-N 3.14Å; N278-H281 WeakPolarHBondContact O-CB 3.31Å; N278-H281 PolarHBondContact O-N 3.27Å; N278-H281 PolarHBondContact OD1-N 3.28Å; N278-L284 WeakPolarHBondContact O-CD1 3.2Å
279T81.9Confident89.2Confident63 Ų6360.1 Ų60.139%0.38731%0.31SS..THydrogen-bonded Turntrans-63.8-13.6175.547.70000114.3T277 F288T277-T279 VanDerWaalsContact C-N 3.34Å; T277-T279 PolarHBondContact O-N 3.47Å; T279-F288 HydrophobicContact CG2-CD2 4.34Å; T279-F288 HydrophobicContact CG2-CE2 3.71Å; T279-F288 HydrophobicContact CG2-CZ 3.98Å
280E87.7Confident89.3Confident127 Ų12762.1 Ų62.159%0.59331%0.314SS*.THydrogen-bonded Turntrans-86.2-10.6177.3-65.4-54.5139.300113.4N278 K285N278-E280 PolarHBondContact O-N 3.48Å; N278-E280 VanDerWaalsContact O-N 3.15Å; N278-E280 PolarHBondContact OD1-N 3.14Å; E280-K285 IonicContact OE2-NZ 3.22Å; E280-K285 PolarHBondContact OE2-NZ 3.42Å
281H90.5Very high89.4Confident23 Ų2362.9 Ų62.911%0.10632%0.318CS..SBendtrans-61.2133.8175.1-171.6-77.2000110.5E266 S269 W270 N278 F283 L284 K285E266-H281 PolarHBondContact O-CE1 2.67Å; S269-H281 PolarHBondContact OG-CE1 3.14Å; S269-H281 PolarHBondContact OG-NE2 2.95Å; S269-H281 VanDerWaalsContact OG-NE2 3.16Å; W270-H281 VanDerWaalsContact CB-CE1 3.45Å; W270-H281 WeakPolarHBondContact CB-CE1 3.4Å; W270-H281 PolarHBondContact N-CE1 3.04Å; W270-H281 PolarHBondContact N-NE2 3.25Å; N278-H281 WeakPolarHBondContact O-CB 3.31Å; N278-H281 PolarHBondContact O-N 3.27Å; N278-H281 PolarHBondContact OD1-N 3.28Å; H281-F283 VanDerWaalsContact C-N 3.32Å; H281-F283 PolarHBondContact ND1-N 3.32Å; H281-F283 PolarHBondContact O-N 3.14Å; H281-F283 VanDerWaalsContact O-N 3.15Å; H281-L284 PolarHBondContact O-N 3.39Å; H281-L284 VanDerWaalsContact O-N 3.08Å; H281-K285 WeakPolarHBondContact O-CB 3.21Å; H281-K285 PolarHBondContact O-N 3Å
282P92.3Very high89.6Confident68 Ų6861.1 Ų61.144%0.44231%0.312SS..Hα-helixtrans-48.5-46.8-174.4-30.834.9000114.7E266 K285 R286E266-P282 HydrophobicContact CG-CB 4Å; P282-K285 PolarHBondContact O-N 3.35Å; P282-R286 WeakPolarHBondContact O-CB 3.31Å; P282-R286 PolarHBondContact O-N 2.87Å
283F94Very high89.9Confident5 Ų558.8 Ų58.82%0.02230%0.301CS..Hα-helixtrans-57.2-52.9176.8172.1-110.2000113.6E266 F267 W270 H281 R286 I287 L443 V462E266-F283 HydrophobicContact CB-CB 4.05Å; E266-F283 WeakPolarHBondContact O-CB 3.49Å; F267-F283 HydrophobicContact CB-CD2 3.91Å; F267-F283 HydrophobicContact CB-CE2 3.92Å; F267-F283 HydrophobicContact CD2-CD1 4.49Å; F267-F283 HydrophobicContact CD2-CD2 4.23Å; F267-F283 AromaticContact CD2-CE1 3.94Å; F267-F283 HydrophobicContact CD2-CE1 3.94Å; F267-F283 AromaticContact CD2-CE2 3.64Å; F267-F283 HydrophobicContact CD2-CE2 3.64Å; F267-F283 AromaticContact CD2-CZ 3.48Å; F267-F283 HydrophobicContact CD2-CZ 3.48Å; F267-F283 VanDerWaalsContact CD2-CZ 3.48Å; F267-F283 HydrophobicContact CE2-CE1 4.5Å; F267-F283 HydrophobicContact CE2-CZ 4.11Å; F267-F283 HydrophobicContact CG-CE2 4.23Å; F267-F283 HydrophobicContact CG-CZ 4.48Å; W270-F283 HydrophobicContact CB-CB 4.02Å; W270-F283 HydrophobicContact CB-CD1 3.83Å; W270-F283 HydrophobicContact CB-CG 4.15Å; W270-F283 AromaticContact CD2-CD1 3.79Å; W270-F283 HydrophobicContact CD2-CD1 3.79Å; W270-F283 AromaticContact CD2-CE1 3.93Å; W270-F283 HydrophobicContact CD2-CE1 3.93Å; W270-F283 HydrophobicContact CE3-CD1 4.15Å; W270-F283 AromaticContact CE3-CE1 3.9Å; W270-F283 HydrophobicContact CE3-CE1 3.9Å; W270-F283 AromaticContact CG-CD1 3.62Å; W270-F283 HydrophobicContact CG-CD1 3.62Å; W270-F283 HydrophobicContact CG-CE1 4.26Å; W270-F283 HydrophobicContact CG-CG 4.41Å; W270-F283 HydrophobicContact CZ3-CE1 4.45Å; H281-F283 VanDerWaalsContact C-N 3.32Å; H281-F283 PolarHBondContact ND1-N 3.32Å; H281-F283 PolarHBondContact O-N 3.14Å; H281-F283 VanDerWaalsContact O-N 3.15Å; F283-R286 PolarHBondContact O-N 3.5Å; F283-I287 HydrophobicContact CD1-CD1 4.25Å; F283-I287 HydrophobicContact CD2-CD1 4.11Å; F283-I287 HydrophobicContact CE1-CD1 3.65Å; F283-I287 HydrophobicContact CE2-CD1 3.48Å; F283-I287 VanDerWaalsContact CE2-CD1 3.48Å; F283-I287 HydrophobicContact CE2-CG1 4.41Å; F283-I287 HydrophobicContact CG-CD1 4.46Å; F283-I287 HydrophobicContact CZ-CD1 3.21Å; F283-I287 PolarHBondContact O-N 3.46Å; F283-I287 VanDerWaalsContact O-N 3.14Å; F283-L443 HydrophobicContact CE1-CD1 4.49Å; F283-L443 HydrophobicContact CE1-CD2 3.99Å; F283-L443 HydrophobicContact CZ-CD2 4.19Å; F283-V462 HydrophobicContact CE2-CG1 4.21Å; F283-V462 HydrophobicContact CZ-CG1 4.01Å
284L92.7Very high90.3Very high0 Ų056.9 Ų56.90%029%0.29CS..Hα-helixtrans-68.4-43.2-178.9-71.7179000110.3N278 H281 R286 I287 F288 L443N278-L284 WeakPolarHBondContact O-CD1 3.2Å; H281-L284 PolarHBondContact O-N 3.39Å; H281-L284 VanDerWaalsContact O-N 3.08Å; L284-R286 VanDerWaalsContact C-N 3.27Å; L284-R286 PolarHBondContact O-N 2.92Å; L284-I287 PolarHBondContact O-N 3.43Å; L284-I287 VanDerWaalsContact O-N 3.13Å; L284-F288 HydrophobicContact CB-CD2 4.29Å; L284-F288 HydrophobicContact CB-CE2 4.35Å; L284-F288 WeakPolarHBondContact O-CD2 3.39Å; L284-F288 PolarHBondContact O-N 2.84Å; L284-L443 HydrophobicContact CD2-CD1 4.07Å
285K93.4Very high90.7Very high104 Ų10452.6 Ų52.645%0.45227%0.274SS..Hα-helixtrans-54.1-44.6176.5-172.7170-170.7153.30111.9E280 H281 P282 F288 V289E280-K285 IonicContact OE2-NZ 3.22Å; E280-K285 PolarHBondContact OE2-NZ 3.42Å; H281-K285 WeakPolarHBondContact O-CB 3.21Å; H281-K285 PolarHBondContact O-N 3Å; P282-K285 PolarHBondContact O-N 3.35Å; K285-F288 PolarHBondContact O-N 3.4Å; K285-V289 VanDerWaalsContact O-CG2 3.31Å; K285-V289 WeakPolarHBondContact O-CG2 3.3Å; K285-V289 PolarHBondContact O-N 2.84Å
286R93.5Very high91.1Very high63 Ų6349.9 Ų49.924%0.23826%0.259CS..Hα-helixtrans-60.6-51.4175.2-171-176.2-66.4-1190.1111.7C263 E266 P282 F283 L284 F288 V289 E290C263-R286 PolarHBondContact SG-NH1 3.33Å; E266-R286 IonicContact OE1-CZ 3.55Å; E266-R286 IonicContact OE1-NE 3.72Å; E266-R286 IonicContact OE1-NH2 2.71Å; E266-R286 PolarHBondContact OE1-NH2 3.32Å; E266-R286 IonicContact OE2-CZ 3.48Å; E266-R286 IonicContact OE2-NE 2.67Å; E266-R286 PolarHBondContact OE2-NE 2.94Å; E266-R286 IonicContact OE2-NH2 3.43Å; E266-R286 PolarHBondContact OE2-NH2 3.04Å; P282-R286 WeakPolarHBondContact O-CB 3.31Å; P282-R286 PolarHBondContact O-N 2.87Å; F283-R286 PolarHBondContact O-N 3.5Å; L284-R286 VanDerWaalsContact C-N 3.27Å; L284-R286 PolarHBondContact O-N 2.92Å; R286-F288 VanDerWaalsContact C-N 3.29Å; R286-F288 PolarHBondContact O-N 3.49Å; R286-V289 PolarHBondContact O-N 3.22Å; R286-E290 VanDerWaalsContact CG-CD 3.44Å; R286-E290 HydrophobicContact CG-CG 4.26Å; R286-E290 VanDerWaalsContact CG-OE1 3.25Å; R286-E290 WeakPolarHBondContact CG-OE1 3.44Å; R286-E290 WeakPolarHBondContact O-CB 3.47Å; R286-E290 WeakPolarHBondContact O-CG 3.31Å; R286-E290 PolarHBondContact O-N 3.03Å
287I93.9Very high91.5Very high1 Ų152.1 Ų52.11%0.00527%0.274CS..Hα-helixtrans-57.3-42.4177-74.8174.4000111.7F283 L284 D291 V292 L439F283-I287 HydrophobicContact CD1-CD1 4.25Å; F283-I287 HydrophobicContact CD2-CD1 4.11Å; F283-I287 HydrophobicContact CE1-CD1 3.65Å; F283-I287 HydrophobicContact CE2-CD1 3.48Å; F283-I287 VanDerWaalsContact CE2-CD1 3.48Å; F283-I287 HydrophobicContact CE2-CG1 4.41Å; F283-I287 HydrophobicContact CG-CD1 4.46Å; F283-I287 HydrophobicContact CZ-CD1 3.21Å; F283-I287 PolarHBondContact O-N 3.46Å; F283-I287 VanDerWaalsContact O-N 3.14Å; L284-I287 PolarHBondContact O-N 3.43Å; L284-I287 VanDerWaalsContact O-N 3.13Å; I287-D291 WeakPolarHBondContact O-CA 3.17Å; I287-D291 WeakPolarHBondContact O-CB 3.23Å; I287-D291 PolarHBondContact O-N 3.19Å; I287-V292 HydrophobicContact CG2-CG2 3.83Å; I287-V292 PolarHBondContact O-N 3.01Å; I287-L439 HydrophobicContact CG2-CD2 3.61Å
288F93Very high92Very high37 Ų3747.6 Ų47.616%0.16225%0.245CC..Iπ-helixtrans-63.8-46.2-179.8-88.3-74.6000112T279 L284 K285 R286 V292 Q293 L312 F440T279-F288 HydrophobicContact CG2-CD2 4.34Å; T279-F288 HydrophobicContact CG2-CE2 3.71Å; T279-F288 HydrophobicContact CG2-CZ 3.98Å; L284-F288 HydrophobicContact CB-CD2 4.29Å; L284-F288 HydrophobicContact CB-CE2 4.35Å; L284-F288 WeakPolarHBondContact O-CD2 3.39Å; L284-F288 PolarHBondContact O-N 2.84Å; K285-F288 PolarHBondContact O-N 3.4Å; R286-F288 VanDerWaalsContact C-N 3.29Å; R286-F288 PolarHBondContact O-N 3.49Å; F288-V292 HydrophobicContact CD1-CB 4.05Å; F288-V292 HydrophobicContact CD1-CG1 4.03Å; F288-V292 HydrophobicContact CD1-CG2 4.38Å; F288-V292 HydrophobicContact CE1-CG1 4.22Å; F288-Q293 WeakPolarHBondContact O-CB 3.44Å; F288-Q293 PolarHBondContact O-N 3.32Å; F288-L312 HydrophobicContact CE1-CD1 4.13Å; F288-L312 HydrophobicContact CE1-CD2 3.82Å; F288-L312 HydrophobicContact CZ-CD1 4.19Å; F288-L312 HydrophobicContact CZ-CD2 3.53Å; F288-F440 AromaticContact CE1-CZ 3.77Å; F288-F440 HydrophobicContact CE1-CZ 3.77Å; F288-F440 HydrophobicContact CE2-CE1 4.27Å; F288-F440 HydrophobicContact CE2-CZ 4.1Å; F288-F440 AromaticContact CZ-CE1 3.82Å; F288-F440 HydrophobicContact CZ-CE1 3.82Å; F288-F440 AromaticContact CZ-CZ 3.47Å; F288-F440 HydrophobicContact CZ-CZ 3.47Å; F288-F440 VanDerWaalsContact CZ-CZ 3.47Å
289V94Very high92.4Very high85 Ų8548.5 Ų48.552%0.51526%0.257SS..Iπ-helixtrans-74-43.5-176.7173.30000112K285 R286 P294K285-V289 VanDerWaalsContact O-CG2 3.31Å; K285-V289 WeakPolarHBondContact O-CG2 3.3Å; K285-V289 PolarHBondContact O-N 2.84Å; R286-V289 PolarHBondContact O-N 3.22Å; V289-P294 VanDerWaalsContact O-CD 3.27Å; V289-P294 WeakPolarHBondContact O-CD 3.49Å; V289-P294 WeakPolarHBondContact O-CG 3.48Å
290E94.5Very high92.9Very high86 Ų8647.5 Ų47.540%0.40225%0.249SC..Iπ-helixtrans-82.4-39-173.8-66.9178.3-173.600112.9R286 P294 R466 R473R286-E290 VanDerWaalsContact CG-CD 3.44Å; R286-E290 HydrophobicContact CG-CG 4.26Å; R286-E290 VanDerWaalsContact CG-OE1 3.25Å; R286-E290 WeakPolarHBondContact CG-OE1 3.44Å; R286-E290 WeakPolarHBondContact O-CB 3.47Å; R286-E290 WeakPolarHBondContact O-CG 3.31Å; R286-E290 PolarHBondContact O-N 3.03Å; E290-P294 WeakPolarHBondContact O-CG 3.41Å; E290-R466 IonicContact OE2-CZ 3.18Å; E290-R466 IonicContact OE2-NH2 2.66Å; E290-R466 PolarHBondContact OE2-NH2 3.15Å; E290-R473 PolarHBondContact O-NH1 3.28Å
291D94.5Very high93.2Very high16 Ų1646.2 Ų46.29%0.08625%0.249CC..Iπ-helixtrans-112.8-60.4-167.2-55.5-51.4000112I287 C295 R466 I469I287-D291 WeakPolarHBondContact O-CA 3.17Å; I287-D291 WeakPolarHBondContact O-CB 3.23Å; I287-D291 PolarHBondContact O-N 3.19Å; D291-C295 WeakPolarHBondContact O-CB 3.48Å; D291-C295 PolarHBondContact O-N 3.35Å; D291-R466 IonicContact OD1-NH2 3.39Å; D291-R466 IonicContact OD2-CZ 2.87Å; D291-R466 VanDerWaalsContact OD2-CZ 3.26Å; D291-R466 IonicContact OD2-NE 3.5Å; D291-R466 PolarHBondContact OD2-NE 3.3Å; D291-R466 IonicContact OD2-NH2 3.76Å; D291-R466 PolarHBondContact OD2-NH2 3.43Å; D291-I469 HydrophobicContact CB-CD1 4.45Å; D291-I469 HydrophobicContact CB-CG2 3.93Å
292V92.7Very high93.2Very high4 Ų452.2 Ų52.22%0.02428%0.278CS..Iπ-helixtrans-69.5-49.9-168.4179.80000112I287 F288 C295 L296 V436 F440I287-V292 HydrophobicContact CG2-CG2 3.83Å; I287-V292 PolarHBondContact O-N 3.01Å; F288-V292 HydrophobicContact CD1-CB 4.05Å; F288-V292 HydrophobicContact CD1-CG1 4.03Å; F288-V292 HydrophobicContact CD1-CG2 4.38Å; F288-V292 HydrophobicContact CE1-CG1 4.22Å; V292-C295 PolarHBondContact O-N 3.44Å; V292-L296 HydrophobicContact CG1-CD1 3.85Å; V292-L296 WeakPolarHBondContact O-CB 3.35Å; V292-L296 PolarHBondContact O-N 2.96Å; V292-V436 HydrophobicContact CG1-CG1 4Å; V292-V436 HydrophobicContact CG2-CG1 4.23Å; V292-F440 HydrophobicContact CG1-CE2 4.25Å; V292-F440 HydrophobicContact CG2-CE2 3.81Å; V292-F440 HydrophobicContact CG2-CZ 4.11Å
293Q92.6Very high93.2Very high115 Ų11549.3 Ų49.354%0.53726%0.258SS..Hα-helixtrans-63.9-47.7-177175.8177.32.500111.6F288 C295 L296 T297F288-Q293 WeakPolarHBondContact O-CB 3.44Å; F288-Q293 PolarHBondContact O-N 3.32Å; Q293-C295 VanDerWaalsContact C-N 3.35Å; Q293-C295 PolarHBondContact O-N 3.39Å; Q293-L296 PolarHBondContact O-N 3.21Å; Q293-T297 PolarHBondContact O-N 3.41Å; Q293-T297 PolarHBondContact O-OG1 2.92Å
294P93.4Very high93.2Very high40 Ų4049.1 Ų49.126%0.2626%0.258SS..Hα-helixtrans-64.2-36.6173.4-25.137.7000112.8V289 E290 R432V289-P294 VanDerWaalsContact O-CD 3.27Å; V289-P294 WeakPolarHBondContact O-CD 3.49Å; V289-P294 WeakPolarHBondContact O-CG 3.48Å; E290-P294 WeakPolarHBondContact O-CG 3.41Å; P294-R432 PolarHBondContact O-NH2 3.29Å
295C93.1Very high93.2Very high0 Ų051 Ų510%027%0.271CS..Hα-helixtrans-73.5-25.7179.9-167.10000113.6D291 V292 Q293 R432 V436 I469D291-C295 WeakPolarHBondContact O-CB 3.48Å; D291-C295 PolarHBondContact O-N 3.35Å; V292-C295 PolarHBondContact O-N 3.44Å; Q293-C295 VanDerWaalsContact C-N 3.35Å; Q293-C295 PolarHBondContact O-N 3.39Å; C295-R432 PolarHBondContact O-NE 3.15Å; C295-R432 PolarHBondContact O-NH2 3.16Å; C295-V436 HydrophobicContact CB-CG2 4.05Å; C295-I469 HydrophobicContact CB-CG2 3.57Å
296L93.5Very high93.1Very high1 Ų150.4 Ų50.41%0.00527%0.268CS..THydrogen-bonded Turntrans-104.619.2177.2-61.6177.8000113.1V292 Q293 F298 V307 R308 I311 I433 V436V292-L296 HydrophobicContact CG1-CD1 3.85Å; V292-L296 WeakPolarHBondContact O-CB 3.35Å; V292-L296 PolarHBondContact O-N 2.96Å; Q293-L296 PolarHBondContact O-N 3.21Å; L296-F298 HydrophobicContact CB-CE2 4.41Å; L296-F298 HydrophobicContact CD2-CE2 4.01Å; L296-F298 HydrophobicContact CD2-CZ 4.34Å; L296-F298 WeakPolarHBondContact O-CD2 3.45Å; L296-F298 PolarHBondContact O-N 3.32Å; L296-V307 HydrophobicContact CD2-CG1 4.47Å; L296-R308 HydrophobicContact CB-CG 3.83Å; L296-R308 HydrophobicContact CD1-CB 4.5Å; L296-R308 HydrophobicContact CD1-CG 3.55Å; L296-R308 HydrophobicContact CG-CG 4.37Å; L296-R308 PolarHBondContact O-NH1 3.44Å; L296-R308 VanDerWaalsContact O-NH1 3.08Å; L296-I311 HydrophobicContact CD1-CD1 3.58Å; L296-I311 HydrophobicContact CD2-CD1 3.98Å; L296-I311 HydrophobicContact CG-CD1 4.47Å; L296-I433 HydrophobicContact CD2-CG1 4.17Å; L296-V436 HydrophobicContact CD1-CG1 4.08Å; L296-V436 HydrophobicContact CD2-CG2 4.29Å; L296-V436 HydrophobicContact CG-CG2 4.21Å
297T92.7Very high93.1Very high83 Ų8347.4 Ų47.451%0.50926%0.257SS..  trans-83.1112.3169.7-63.20000109.6Q293 R432Q293-T297 PolarHBondContact O-N 3.41Å; Q293-T297 PolarHBondContact O-OG1 2.92Å; T297-R432 PolarHBondContact O-NH1 3.33Å; T297-R432 VanDerWaalsContact O-NH1 3.17Å; T297-R432 PolarHBondContact O-NH2 3Å
298F93.6Very high93Very high15 Ų1550.6 Ų50.67%0.06627%0.269CS..  trans-125.6162.5177.8-58.2-72.2000110.6L296 N300 A304 L403 C429 R432 I433L296-F298 HydrophobicContact CB-CE2 4.41Å; L296-F298 HydrophobicContact CD2-CE2 4.01Å; L296-F298 HydrophobicContact CD2-CZ 4.34Å; L296-F298 WeakPolarHBondContact O-CD2 3.45Å; L296-F298 PolarHBondContact O-N 3.32Å; F298-N300 VanDerWaalsContact C-N 3.29Å; F298-N300 PolarHBondContact O-N 3.22Å; F298-A304 HydrophobicContact CB-CB 4.22Å; F298-A304 HydrophobicContact CD2-CB 3.94Å; F298-L403 HydrophobicContact CB-CB 4.27Å; F298-L403 HydrophobicContact CD1-CB 4.14Å; F298-L403 HydrophobicContact CD2-CB 4.43Å; F298-L403 HydrophobicContact CD2-CD2 3.91Å; F298-L403 HydrophobicContact CE2-CD1 4.32Å; F298-L403 HydrophobicContact CE2-CD2 4.33Å; F298-L403 HydrophobicContact CG-CB 4.04Å; F298-L403 HydrophobicContact CG-CD2 4.29Å; F298-L403 HydrophobicContact CZ-CD1 4.39Å; F298-C429 HydrophobicContact CE1-CB 4.09Å; F298-R432 HydrophobicContact CZ-CB 4.23Å; F298-I433 HydrophobicContact CZ-CG1 4.29Å
299S93.6Very high92.9Very high83 Ų8354.7 Ų54.758%0.5829%0.289SS*.SBendtrans-59.1-39.4179.5-43.40000112.4V301 L403 S404S299-V301 PolarHBondContact O-N 3.02Å; S299-L403 PolarHBondContact N-O 3.3Å; S299-S404 VanDerWaalsContact CB-O 3.28Å; S299-S404 WeakPolarHBondContact CB-O 3.33Å; S299-S404 PolarHBondContact OG-O 3.22Å
300N92.3Very high92.7Very high41 Ų4150.8 Ų50.822%0.21927%0.265CS..  trans-83.395.4172.8-171.7-21000110.6F298 E302 L303 A304 S402 L403 Q405F298-N300 VanDerWaalsContact C-N 3.29Å; F298-N300 PolarHBondContact O-N 3.22Å; N300-E302 PolarHBondContact OD1-N 3.48Å; N300-L303 HydrophobicContact CB-CB 4.26Å; N300-L303 PolarHBondContact OD1-N 3.2Å; N300-L303 VanDerWaalsContact OD1-N 3.14Å; N300-A304 WeakPolarHBondContact O-CB 3.4Å; N300-A304 PolarHBondContact O-N 3.44Å; N300-S402 WeakPolarHBondContact CB-O 3.38Å; N300-S402 PolarHBondContact ND2-O 3.37Å; N300-L403 PolarHBondContact N-O 2.95Å; N300-Q405 HydrophobicContact CB-CG 4.27Å; N300-Q405 PolarHBondContact ND2-NE2 3.2Å
301V93.2Very high92.6Very high100 Ų10046.9 Ų46.961%0.60625%0.247SC*.Hα-helixtrans-66.6-37.7-174.5-176.90000112.5S299 A304 S305S299-V301 PolarHBondContact O-N 3.02Å; V301-A304 PolarHBondContact O-N 2.91Å; V301-S305 PolarHBondContact O-N 3.4Å; V301-S305 PolarHBondContact O-OG 3.16Å
302E91.5Very high92.3Very high150 Ų15049.7 Ų49.770%0.70126%0.261SS*.Hα-helixtrans-67.2-50-179.6-65.3-178.6-174.700111.6N300 A304 S305 K306N300-E302 PolarHBondContact OD1-N 3.48Å; E302-A304 VanDerWaalsContact C-N 3.31Å; E302-A304 PolarHBondContact O-N 3.48Å; E302-S305 PolarHBondContact O-N 3Å; E302-K306 PolarHBondContact O-N 3.46Å; E302-K306 VanDerWaalsContact O-N 3.1Å
303L92.3Very high92.2Very high7 Ų752.7 Ų52.74%0.03728%0.283CS..Hα-helixtrans-65.4-37.7177.1-174.261.1000110.9N300 S305 K306 V307 L403 M414 T416 Y423N300-L303 HydrophobicContact CB-CB 4.26Å; N300-L303 PolarHBondContact OD1-N 3.2Å; N300-L303 VanDerWaalsContact OD1-N 3.14Å; L303-S305 VanDerWaalsContact C-N 3.32Å; L303-S305 PolarHBondContact O-N 3.44Å; L303-K306 PolarHBondContact O-N 3.47Å; L303-V307 HydrophobicContact CG-CG2 4.49Å; L303-V307 WeakPolarHBondContact O-CB 3.45Å; L303-V307 VanDerWaalsContact O-CG2 3.31Å; L303-V307 WeakPolarHBondContact O-CG2 3.48Å; L303-V307 PolarHBondContact O-N 2.86Å; L303-L403 HydrophobicContact CB-CD2 4.32Å; L303-L403 HydrophobicContact CD2-CD2 3.73Å; L303-L403 HydrophobicContact CD2-CG 4.11Å; L303-L403 HydrophobicContact CG-CD2 3.74Å; L303-M414 HydrophobicContact CD1-CE 4.32Å; L303-M414 HydrophobicContact CD2-CE 4.39Å; L303-M414 HydrophobicContact CG-CE 4.41Å; L303-T416 HydrophobicContact CD1-CG2 4.49Å; L303-Y423 HydrophobicContact CD1-CD1 4.31Å; L303-Y423 HydrophobicContact CD1-CD2 4.1Å; L303-Y423 HydrophobicContact CD1-CE1 4.15Å; L303-Y423 HydrophobicContact CD1-CE2 3.95Å; L303-Y423 HydrophobicContact CD1-CG 4.28Å; L303-Y423 HydrophobicContact CD2-CD1 3.96Å; L303-Y423 HydrophobicContact CD2-CE1 4.41Å; L303-Y423 HydrophobicContact CD2-CG 4.11Å
304A93.2Very high92.1Very high1 Ų150.8 Ų50.81%0.00828%0.276CS..Hα-helixtrans-60.8-39.5174.900000112.7F298 N300 V301 E302 V307 R308F298-A304 HydrophobicContact CB-CB 4.22Å; F298-A304 HydrophobicContact CD2-CB 3.94Å; N300-A304 WeakPolarHBondContact O-CB 3.4Å; N300-A304 PolarHBondContact O-N 3.44Å; V301-A304 PolarHBondContact O-N 2.91Å; E302-A304 VanDerWaalsContact C-N 3.31Å; E302-A304 PolarHBondContact O-N 3.48Å; A304-V307 PolarHBondContact O-N 3.41Å; A304-R308 PolarHBondContact O-N 3.46Å
305S91.9Very high92Very high40 Ų4051.4 Ų51.428%0.2828%0.279SS..Hα-helixtrans-64.6-43.1174.1-68.20000112.2V301 E302 L303 R308 Q309V301-S305 PolarHBondContact O-N 3.4Å; V301-S305 PolarHBondContact O-OG 3.16Å; E302-S305 PolarHBondContact O-N 3Å; L303-S305 VanDerWaalsContact C-N 3.32Å; L303-S305 PolarHBondContact O-N 3.44Å; S305-R308 PolarHBondContact O-N 2.95Å; S305-R308 PolarHBondContact OG-NH2 3.42Å; S305-Q309 WeakPolarHBondContact O-CG 3.45Å; S305-Q309 PolarHBondContact O-N 2.84Å; S305-Q309 VanDerWaalsContact O-N 3.08Å
306K91.7Very high91.9Very high91 Ų9152.4 Ų52.440%0.39628%0.284SS..Hα-helixtrans-61.4-45.1174-68177.1-177.71780111.4E302 L303 R308 Q309 S310 T416E302-K306 PolarHBondContact O-N 3.46Å; E302-K306 VanDerWaalsContact O-N 3.1Å; L303-K306 PolarHBondContact O-N 3.47Å; K306-R308 PolarHBondContact O-N 3.36Å; K306-Q309 PolarHBondContact O-N 2.93Å; K306-S310 WeakPolarHBondContact O-CB 3.23Å; K306-S310 PolarHBondContact O-N 3.23Å; K306-S310 PolarHBondContact O-OG 3.46Å; K306-T416 HydrophobicContact CB-CG2 4.39Å
307V93.1Very high91.9Very high0 Ų055 Ų550%030%0.298CS..Hα-helixtrans-59-46176.5166.50000111.4L296 L303 A304 Q309 S310 I311 I316 L403 M414 T416 I433L296-V307 HydrophobicContact CD2-CG1 4.47Å; L303-V307 HydrophobicContact CG-CG2 4.49Å; L303-V307 WeakPolarHBondContact O-CB 3.45Å; L303-V307 VanDerWaalsContact O-CG2 3.31Å; L303-V307 WeakPolarHBondContact O-CG2 3.48Å; L303-V307 PolarHBondContact O-N 2.86Å; A304-V307 PolarHBondContact O-N 3.41Å; V307-Q309 PolarHBondContact O-N 2.78Å; V307-S310 PolarHBondContact O-N 3.1Å; V307-I311 HydrophobicContact CG1-CD1 3.7Å; V307-I311 HydrophobicContact CG1-CG1 4.38Å; V307-I311 VanDerWaalsContact O-CG1 3.23Å; V307-I311 WeakPolarHBondContact O-CG1 3.45Å; V307-I311 PolarHBondContact O-N 2.8Å; V307-I316 HydrophobicContact CG1-CD1 3.89Å; V307-I316 HydrophobicContact CG2-CD1 4.48Å; V307-L403 HydrophobicContact CG2-CD2 4.09Å; V307-M414 HydrophobicContact CG2-CE 3.4Å; V307-M414 VanDerWaalsContact CG2-CE 3.4Å; V307-M414 HydrophobicContact CG2-SD 3.67Å; V307-T416 HydrophobicContact CG2-CG2 4.13Å; V307-I433 HydrophobicContact CG1-CD1 4.15Å; V307-I433 HydrophobicContact CG1-CG1 4.15Å
308R91.9Very high91.8Very high68 Ų6852.6 Ų52.626%0.25728%0.282SS..Hα-helixtrans-55.3-49.9174.2-82.4-175-64-96.72.7111.7L296 A304 S305 K306 S310 I311 L312L296-R308 HydrophobicContact CB-CG 3.83Å; L296-R308 HydrophobicContact CD1-CB 4.5Å; L296-R308 HydrophobicContact CD1-CG 3.55Å; L296-R308 HydrophobicContact CG-CG 4.37Å; L296-R308 PolarHBondContact O-NH1 3.44Å; L296-R308 VanDerWaalsContact O-NH1 3.08Å; A304-R308 PolarHBondContact O-N 3.46Å; S305-R308 PolarHBondContact O-N 2.95Å; S305-R308 PolarHBondContact OG-NH2 3.42Å; K306-R308 PolarHBondContact O-N 3.36Å; R308-S310 PolarHBondContact O-N 3.43Å; R308-I311 PolarHBondContact O-N 3.08Å; R308-L312 WeakPolarHBondContact O-CG 3.4Å; R308-L312 PolarHBondContact O-N 3.14Å; R308-L312 VanDerWaalsContact O-N 3.16Å
309Q90.5Very high91.6Very high123 Ų12353 Ų5358%0.57528%0.284SS*.Hα-helixtrans-64.7-39.6179.5-68.7172.48.200112.4S305 K306 V307 L312 S313S305-Q309 WeakPolarHBondContact O-CG 3.45Å; S305-Q309 PolarHBondContact O-N 2.84Å; S305-Q309 VanDerWaalsContact O-N 3.08Å; K306-Q309 PolarHBondContact O-N 2.93Å; V307-Q309 PolarHBondContact O-N 2.78Å; Q309-L312 PolarHBondContact O-N 3.26Å; Q309-S313 WeakPolarHBondContact O-CB 3.49Å; Q309-S313 PolarHBondContact O-N 2.99Å; Q309-S313 PolarHBondContact O-OG 3.22Å
310S91.6Very high91.4Very high2 Ų253.1 Ų53.11%0.01427%0.274CS..Hα-helixtrans-67.3-34.2177.3-650000112.8K306 V307 R308 S313 N314 T315 I316 S417K306-S310 WeakPolarHBondContact O-CB 3.23Å; K306-S310 PolarHBondContact O-N 3.23Å; K306-S310 PolarHBondContact O-OG 3.46Å; V307-S310 PolarHBondContact O-N 3.1Å; R308-S310 PolarHBondContact O-N 3.43Å; S310-S313 WeakPolarHBondContact CA-OG 3.37Å; S310-S313 PolarHBondContact O-OG 2.72Å; S310-N314 PolarHBondContact O-N 3.4Å; S310-N314 VanDerWaalsContact O-N 3.14Å; S310-T315 WeakPolarHBondContact CA-OG1 3.45Å; S310-T315 PolarHBondContact O-N 3.02Å; S310-T315 PolarHBondContact O-OG1 3.23Å; S310-I316 PolarHBondContact O-N 3.14Å; S310-S417 PolarHBondContact OG-N 2.76Å; S310-S417 PolarHBondContact OG-OG 2.73Å
311I92.2Very high90.9Very high4 Ų453.8 Ų53.82%0.02128%0.277CS..Hα-helixtrans-65.7-47174.1-69.1164.7000110.3L296 V307 R308 S313 N314 I316 I433 V436 F440 R444L296-I311 HydrophobicContact CD1-CD1 3.58Å; L296-I311 HydrophobicContact CD2-CD1 3.98Å; L296-I311 HydrophobicContact CG-CD1 4.47Å; V307-I311 HydrophobicContact CG1-CD1 3.7Å; V307-I311 HydrophobicContact CG1-CG1 4.38Å; V307-I311 VanDerWaalsContact O-CG1 3.23Å; V307-I311 WeakPolarHBondContact O-CG1 3.45Å; V307-I311 PolarHBondContact O-N 2.8Å; R308-I311 PolarHBondContact O-N 3.08Å; I311-S313 PolarHBondContact O-N 3.48Å; I311-N314 PolarHBondContact O-N 2.95Å; I311-N314 VanDerWaalsContact O-N 3.16Å; I311-I316 HydrophobicContact CD1-CD1 4.37Å; I311-I316 HydrophobicContact CG1-CD1 3.88Å; I311-I316 HydrophobicContact CG1-CG2 4.04Å; I311-I433 HydrophobicContact CD1-CG2 4.2Å; I311-V436 HydrophobicContact CG2-CG1 4.15Å; I311-F440 HydrophobicContact CG2-CD2 3.93Å; I311-F440 HydrophobicContact CG2-CE2 4.5Å; I311-R444 PolarHBondContact O-NH2 3.02Å
312L88.5Confident89.3Confident75 Ų7553.1 Ų53.139%0.39328%0.276SS..Hα-helixtrans-64.3-40.3-179.7-64.6178.6000112.7F288 R308 Q309 N314 F440 R444F288-L312 HydrophobicContact CE1-CD1 4.13Å; F288-L312 HydrophobicContact CE1-CD2 3.82Å; F288-L312 HydrophobicContact CZ-CD1 4.19Å; F288-L312 HydrophobicContact CZ-CD2 3.53Å; R308-L312 WeakPolarHBondContact O-CG 3.4Å; R308-L312 PolarHBondContact O-N 3.14Å; R308-L312 VanDerWaalsContact O-N 3.16Å; Q309-L312 PolarHBondContact O-N 3.26Å; L312-N314 VanDerWaalsContact C-N 3.26Å; L312-N314 PolarHBondContact O-N 3.29Å; L312-F440 HydrophobicContact CD2-CD1 4.06Å; L312-F440 HydrophobicContact CD2-CE1 3.48Å; L312-F440 VanDerWaalsContact CD2-CE1 3.48Å; L312-F440 HydrophobicContact CD2-CE2 4.03Å; L312-F440 HydrophobicContact CD2-CZ 3.48Å; L312-F440 VanDerWaalsContact CD2-CZ 3.48Å; L312-R444 PolarHBondContact O-NH2 3.46Å
313S88.9Confident87.4Confident68 Ų6849.8 Ų49.848%0.47627%0.268SS..THydrogen-bonded Turntrans-78.5-1.7175.956.30000114.6Q309 S310 I311 T315Q309-S313 WeakPolarHBondContact O-CB 3.49Å; Q309-S313 PolarHBondContact O-N 2.99Å; Q309-S313 PolarHBondContact O-OG 3.22Å; S310-S313 WeakPolarHBondContact CA-OG 3.37Å; S310-S313 PolarHBondContact O-OG 2.72Å; I311-S313 PolarHBondContact O-N 3.48Å; S313-T315 VanDerWaalsContact C-N 3.34Å; S313-T315 PolarHBondContact O-N 3.26Å; S313-T315 PolarHBondContact OG-OG1 3.44Å
314N90.4Very high84.9Confident74 Ų7454.5 Ų54.540%0.39629%0.293SS..THydrogen-bonded Turntrans58.936.6-176.3-156.535.5000114.9S310 I311 L312 R444S310-N314 PolarHBondContact O-N 3.4Å; S310-N314 VanDerWaalsContact O-N 3.14Å; I311-N314 PolarHBondContact O-N 2.95Å; I311-N314 VanDerWaalsContact O-N 3.16Å; L312-N314 VanDerWaalsContact C-N 3.26Å; L312-N314 PolarHBondContact O-N 3.29Å; N314-R444 PolarHBondContact OD1-NH1 3.29Å
315T92.3Very high82.2Confident53 Ų5364.8 Ų64.833%0.32533%0.332SS..  trans-114.6-2-17454.90000114.1S310 S313 S417S310-T315 WeakPolarHBondContact CA-OG1 3.45Å; S310-T315 PolarHBondContact O-N 3.02Å; S310-T315 PolarHBondContact O-OG1 3.23Å; S313-T315 VanDerWaalsContact C-N 3.34Å; S313-T315 PolarHBondContact O-N 3.26Å; S313-T315 PolarHBondContact OG-OG1 3.44Å; T315-S417 WeakPolarHBondContact OG1-CB 3.16Å
316I91.8Very high79.2Confident21 Ų2168.5 Ų68.511%0.10836%0.355CS..  trans-74135.4-179.9-163171.1000111V307 S310 I311 L318 M414 I433V307-I316 HydrophobicContact CG1-CD1 3.89Å; V307-I316 HydrophobicContact CG2-CD1 4.48Å; S310-I316 PolarHBondContact O-N 3.14Å; I311-I316 HydrophobicContact CD1-CD1 4.37Å; I311-I316 HydrophobicContact CG1-CD1 3.88Å; I311-I316 HydrophobicContact CG1-CG2 4.04Å; I316-L318 HydrophobicContact CD1-CD1 3.92Å; I316-L318 HydrophobicContact CG1-CD1 3.74Å; I316-L318 HydrophobicContact CG2-CD1 4.35Å; I316-M414 HydrophobicContact CD1-CG 4.24Å; I316-M414 HydrophobicContact CD1-SD 3.87Å; I316-M414 HydrophobicContact CG1-CG 4.1Å; I316-M414 HydrophobicContact CG1-SD 4.36Å; I316-I433 HydrophobicContact CD1-CG2 3.82Å
317L91.8Very high76.5Confident56 Ų5671.8 Ų71.829%0.29337%0.372SS..EExtended strand (participates in β ladder)trans-119.7132176.1-62.7172.5000109.8M414 K415L317-M414 CarbonylContact O-C 3.58Å; L317-M414 WeakPolarHBondContact O-CA 3.33Å; L317-K415 HydrophobicContact CB-CB 4.27Å; L317-K415 PolarHBondContact N-O 3.48Å; L317-K415 PolarHBondContact O-N 2.91Å
318L91.9Very high73.4Confident32 Ų3277.6 Ų77.617%0.16841%0.407CS..EExtended strand (participates in β ladder)trans-126.9125.3175.4-75.987.6000109.4I316 R413 M414 R430 I433I316-L318 HydrophobicContact CD1-CD1 3.92Å; I316-L318 HydrophobicContact CG1-CD1 3.74Å; I316-L318 HydrophobicContact CG2-CD1 4.35Å; L318-R413 WeakPolarHBondContact CA-O 3.35Å; L318-M414 HydrophobicContact CD1-CG 4.3Å; L318-M414 HydrophobicContact CG-CB 4.35Å; L318-M414 HydrophobicContact CG-CG 4.19Å; L318-R430 HydrophobicContact CD2-CB 4.41Å; L318-R430 HydrophobicContact CD2-CG 3.84Å; L318-I433 HydrophobicContact CD1-CG2 3.85Å; L318-I433 HydrophobicContact CD2-CB 4.35Å; L318-I433 HydrophobicContact CD2-CG2 4.03Å
319E89.5Confident70.6Confident23 Ų2382.9 Ų82.911%0.10743%0.432CS..EExtended strand (participates in β ladder)trans-124139.2179.5-66.7-177.8172.500110.2R5 Y412 R413 W422R5-E319 IonicContact NE-OE1 3.88Å; R5-E319 IonicContact NH2-OE1 3.91Å; E319-Y412 CarbonylContact O-C 3.54Å; E319-Y412 VanDerWaalsContact O-CA 3.32Å; E319-Y412 WeakPolarHBondContact O-CA 3.36Å; E319-R413 HydrophobicContact CB-CG 3.96Å; E319-R413 PolarHBondContact N-O 2.96Å; E319-R413 PolarHBondContact O-N 3.4Å; E319-R413 IonicContact OE2-CZ 2.65Å; E319-R413 IonicContact OE2-NE 3.93Å; E319-R413 PolarHBondContact OE2-NE 2.97Å; E319-R413 IonicContact OE2-NH2 2.8Å; E319-R413 PolarHBondContact OE2-NH2 3.24Å; E319-W422 HydrophobicContact CB-CH2 4.47Å; E319-W422 HydrophobicContact CB-CZ3 4.36Å; E319-W422 HydrophobicContact CG-CH2 3.88Å; E319-W422 HydrophobicContact CG-CZ3 4.15Å; E319-W422 VanDerWaalsContact OE2-CH2 3.24Å; E319-W422 WeakPolarHBondContact OE2-CH2 3.48Å
320K88.7Confident67.8Low87 Ų8784.3 Ų84.338%0.37844%0.444SS..EExtended strand (participates in β ladder)trans-75.9130.1170.1-169.7-175.9178.1-164.70108.1C322 E365 Y412K320-C322 PolarHBondContact O-N 3.27Å; K320-E365 WeakPolarHBondContact CE-OE1 3.46Å; K320-E365 IonicContact NZ-OE1 3.58Å; K320-E365 PolarHBondContact NZ-OE1 2.91Å; K320-E365 IonicContact NZ-OE2 2.97Å; K320-Y412 HydrophobicContact CB-CD1 4.18Å; K320-Y412 HydrophobicContact CB-CE1 4.05Å; K320-Y412 HydrophobicContact CG-CD1 4.39Å; K320-Y412 HydrophobicContact CG-CE1 4.04Å
321L82.1Confident65.1Low55 Ų5592.1 Ų92.129%0.28848%0.484SS..  trans-76.4106.2172.4-64.2174.7000108.3N411 R413 L424L321-N411 PolarHBondContact N-O 3.17Å; L321-R413 HydrophobicContact CD2-CB 3.98Å; L321-R413 HydrophobicContact CD2-CG 3.66Å; L321-R413 HydrophobicContact CG-CB 4.34Å; L321-R413 HydrophobicContact CG-CG 4.31Å; L321-L424 HydrophobicContact CD1-CD2 3.59Å
322C60.2Low62.2Low86 Ų8696.3 Ų96.358%0.58151%0.511SS*.  trans-71.9135.9161.3-63.60000107.4K320 D324K320-C322 PolarHBondContact O-N 3.27Å; C322-D324 PolarHBondContact O-N 2.89Å
323C51.2Low59.2Low79 Ų7998.3 Ų98.353%0.53453%0.532SS..  trans-73.157.2175.160.20000111F361C323-F361 HydrophobicContact CB-CD1 4.42Å; C323-F361 HydrophobicContact CB-CE1 4.01Å; C323-F361 HydrophobicContact CB-CE2 4.19Å; C323-F361 HydrophobicContact CB-CZ 3.87Å; C323-F361 WeakPolarHBondContact SG-CD1 3.04Å; C323-F361 WeakPolarHBondContact SG-CE1 3.45Å
324D39.8Very low56.5Low106 Ų106100 Ų10057%0.56754%0.543SS*.  trans-117110.6177.7-90.3-41.9000111C322C322-D324 PolarHBondContact O-N 2.89Å
325R35.2Very low53.8Low218 Ų218104.8 Ų104.882%0.82356%0.563SS**  trans65136.1174.8-56-174.4-159.9-1484.6116Q327R325-Q327 VanDerWaalsContact C-N 3.33Å; R325-Q327 PolarHBondContact O-N 3.45Å
326P29Very low50.7Low117 Ų117108 Ų10876%0.7659%0.587SS**  trans-62.2102.4161.627.1-29.2000107T328P326-T328 PolarHBondContact O-N 2.65Å
327Q36.2Very low47.7Very low161 Ų161111.4 Ų111.475%0.75262%0.619SS**  trans-68.691.1161-68.1-156.5-7.300106.4R325 K329R325-Q327 VanDerWaalsContact C-N 3.33Å; R325-Q327 PolarHBondContact O-N 3.45Å; Q327-K329 PolarHBondContact O-N 3.2Å
328T28.2Very low44.7Very low121 Ų121114.3 Ų114.374%0.74264%0.644SS**  trans-69.189.2162.3490000106.9P326P326-T328 PolarHBondContact O-N 2.65Å
329K32.7Very low41.7Very low180 Ų180119 Ų11978%0.78367%0.674SS**SBendtrans171.5140.9152.2-91155.5-170.1-170.60106.7Q327Q327-K329 PolarHBondContact O-N 3.2Å
330D31.6Very low38.8Very low153 Ų153123 Ų12382%0.81870%0.704SS**  trans87.660.1171.3-39.3-31.8000116.3
331I34.8Very low36.1Very low166 Ų166127 Ų12785%0.85173%0.729SS**  trans-98.2117.7147.9-61.3170.6000106S333I331-S333 PolarHBondContact O-N 2.97Å; I331-S333 VanDerWaalsContact O-N 3.15Å
332P32.3Very low33.6Very low91 Ų91133.6 Ų133.659%0.59176%0.759SS**  trans-65.4116.7174.2-18.530.9000110.1S334P332-S334 PolarHBondContact O-N 2.93Å
333S24.4Very low32.4Very low118 Ų118134 Ų13483%0.82576%0.763SS**  trans-53.2111.8166.542.90000111I331I331-S333 PolarHBondContact O-N 2.97Å; I331-S333 VanDerWaalsContact O-N 3.15Å
334S32.9Very low31.6Very low102 Ų102137.3 Ų137.371%0.71378%0.775SS**  trans-154.2130.4150.464.30000111.6P332P332-S334 PolarHBondContact O-N 2.93Å
335Q33.1Very low31.2Very low176 Ų176139.8 Ų139.882%0.82279%0.788SS**  trans84.675.1160.4-51.2-173.117.900117.2A337Q335-A337 PolarHBondContact O-N 2.8Å
336S26.6Very low31.2Very low119 Ų119133.6 Ų133.683%0.83278%0.784SS**  trans-14.7118.3131.552.20000115.5
337A30.3Very low31.3Very low94 Ų94137.3 Ų137.378%0.77779%0.788SS**  trans-144.193.914400000107.4Q335 T339Q335-A337 PolarHBondContact O-N 2.8Å; A337-T339 PolarHBondContact O-N 2.99Å
338S27.2Very low31.2Very low116 Ų116134.9 Ų134.981%0.81180%0.795SS**  trans-59.1118.9167.4340000110.1
339T30.9Very low31.6Very low131 Ų131138.6 Ų138.680%0.80480%0.801SS**  trans-147112.4149.3-31.30000109.5A337A337-T339 PolarHBondContact O-N 2.99Å
340S26.6Very low31.9Very low106 Ų106136.6 Ų136.674%0.74180%0.798SS**  trans-54122.2170.847.40000112.3
341L33Very low32.2Very low172 Ų172136.1 Ų136.190%0.90179%0.788SS**  trans-138.1106.9150.7-81174000108.3
342Q28.6Very low32.5Very low193 Ų193137.2 Ų137.290%0.90279%0.787SS**  trans-68.4129.3161.9-70.9167.6-44.400108.4
343S35.6Very low32.6Very low96 Ų96140.8 Ų140.867%0.67179%0.79SS**  trans178.7118.9139.627.10000110.6
344D34.6Very low33.8Very low147 Ų147140.1 Ų140.179%0.78678%0.783SS**  74.7101.8129.6-48.4-20.8000119.7
345D32.6Very low34.3Very low158 Ų158143.8 Ų143.885%0.84579%0.786SS**  34.6107.1126.8-74.3-32.7000118.3
346A34.2Very low35Very low88 Ų88141.4 Ų141.473%0.72778%0.775SS**  155.2144.7109.300000112.5
347K31.4Very low36.2Very low196 Ų196143.6 Ų143.685%0.85277%0.765SS**  trans92.328.2156-57.4179.9179.8172.60121.4K349K347-K349 PolarHBondContact O-N 3.2Å
348A33.5Very low37.1Very low109 Ų109145.7 Ų145.790%0.90176%0.756SS**  trans-92.769.2160.300000111.6
349K35.7Very low38Very low200 Ų200147.3 Ų147.387%0.8775%0.749SS**  trans-146.940.2178.4-131177.8-165176.70113.8K347K347-K349 PolarHBondContact O-N 3.2Å
350I39.3Very low39Very low138 Ų138143.6 Ų143.671%0.70872%0.724SS**  trans-154.5105.4-177.9-58.5177000105.3
351F37.7Very low40Very low143 Ų143140.6 Ų140.663%0.62770%0.698SS**  cis-148.7138.447.4-97.1-93.7000110.9Y353F351-Y353 PolarHBondContact O-N 3.49Å
352K41.3Very low40.7Very low188 Ų188135.7 Ų135.782%0.81768%0.677SS**  trans-96.336.3-177.6-158.7-175.2-179.6-178.60112.7
353Y35.5Very low41.5Very low166 Ų166127.3 Ų127.365%0.65164%0.64SS**  trans-146.5115.9177.2-69.8-73000113.3F351 F355F351-Y353 PolarHBondContact O-N 3.49Å; Y353-F355 VanDerWaalsContact C-N 3.3Å; Y353-F355 PolarHBondContact O-N 3.33Å
354P49.9Very low42.3Very low104 Ų104126.3 Ų126.368%0.67562%0.621SS**SBendtrans-71.3-14.6178.7-19.131.5000115.6
355F43Very low43.1Very low180 Ų180124.5 Ų124.579%0.78961%0.608SS**Hα-helixtrans-79.3-34.8-166.2-148.4-98000113.4Y353 R357 K358Y353-F355 VanDerWaalsContact C-N 3.3Å; Y353-F355 PolarHBondContact O-N 3.33Å; F355-R357 PolarHBondContact O-N 2.94Å; F355-K358 PolarHBondContact O-N 2.86Å
356E48.4Very low43.9Very low125 Ų125122.7 Ų122.758%0.58460%0.598SS**Hα-helixtrans-74.3-27.4-177.8-67.4177.5155.600113.2F359E356-F359 PolarHBondContact O-N 3.38Å
357R49.9Very low44.5Very low166 Ų166125.2 Ų125.263%0.62659%0.589SS**Hα-helixtrans-67.8-34.3176.1-79.8-175.5176.1-176.4-2.2112.8F355 F361F355-R357 PolarHBondContact O-N 2.94Å; R357-F361 PolarHBondContact O-N 3.44Å
358K50Low45.2Very low137 Ų137117.8 Ų117.860%0.59657%0.568SS**Hα-helixtrans-67.9-37.8178.4-73.4-172.1172.8-167.20111.9F355 F361 C362F355-K358 PolarHBondContact O-N 2.86Å; K358-F361 PolarHBondContact O-N 3.41Å; K358-C362 WeakPolarHBondContact O-CB 3.48Å; K358-C362 PolarHBondContact O-N 3.47Å; K358-C362 VanDerWaalsContact O-N 3.09Å
359F47Very low46.1Very low151 Ų151119.6 Ų119.666%0.66256%0.558SS**Hα-helixtrans-66.6-45-177.8-161.5-92.8000112.4E356 F361 C363E356-F359 PolarHBondContact O-N 3.38Å; F359-F361 PolarHBondContact O-N 3.15Å; F359-C363 WeakPolarHBondContact O-CB 3.46Å; F359-C363 PolarHBondContact O-N 3.46Å; F359-C363 PolarHBondContact O-SG 3.45Å
360L50.3Low46.9Very low53 Ų53120.6 Ų120.628%0.27756%0.557SS.*Hα-helixtrans-67.4-34.4179-89.6155.7000113.2R364 L372L360-R364 PolarHBondContact O-N 3.39Å; L360-L372 HydrophobicContact CD2-CD2 4.29Å
361F49.4Very low47.5Very low43 Ų43117.8 Ų117.819%0.18954%0.543CS..Hα-helixtrans-72.8-44.3178.4-164.7-84.4000111.8C323 R357 K358 F359 C363 R364 E365 L397C323-F361 HydrophobicContact CB-CD1 4.42Å; C323-F361 HydrophobicContact CB-CE1 4.01Å; C323-F361 HydrophobicContact CB-CE2 4.19Å; C323-F361 HydrophobicContact CB-CZ 3.87Å; C323-F361 WeakPolarHBondContact SG-CD1 3.04Å; C323-F361 WeakPolarHBondContact SG-CE1 3.45Å; R357-F361 PolarHBondContact O-N 3.44Å; K358-F361 PolarHBondContact O-N 3.41Å; F359-F361 PolarHBondContact O-N 3.15Å; F361-C363 VanDerWaalsContact C-N 3.31Å; F361-C363 PolarHBondContact O-N 2.88Å; F361-R364 PolarHBondContact O-N 3.16Å; F361-R364 VanDerWaalsContact O-N 3.14Å; F361-E365 HydrophobicContact CE1-CG 4.39Å; F361-E365 PolarHBondContact O-N 3.3Å; F361-L397 HydrophobicContact CE2-CD1 4.28Å; F361-L397 HydrophobicContact CE2-CD2 4.47Å
362C46.2Very low48.2Very low68 Ų68112.4 Ų112.446%0.45952%0.52SS..Hα-helixtrans-64.1-36.7176.6-153.90000111.8K358 R364 E365 L366K358-C362 WeakPolarHBondContact O-CB 3.48Å; K358-C362 PolarHBondContact O-N 3.47Å; K358-C362 VanDerWaalsContact O-N 3.09Å; C362-R364 VanDerWaalsContact C-N 3.29Å; C362-R364 PolarHBondContact O-N 3.42Å; C362-E365 PolarHBondContact O-N 2.69Å; C362-L366 WeakPolarHBondContact O-CB 3.35Å; C362-L366 PolarHBondContact O-N 2.83Å; C362-L366 VanDerWaalsContact SG-CD1 3.59Å
363C44.9Very low48.8Very low18 Ų18112.5 Ų112.512%0.12252%0.515CS..Hα-helixtrans-63-30.6173.9-73.60000113.6F359 F361 Y367F359-C363 WeakPolarHBondContact O-CB 3.46Å; F359-C363 PolarHBondContact O-N 3.46Å; F359-C363 PolarHBondContact O-SG 3.45Å; F361-C363 VanDerWaalsContact C-N 3.31Å; F361-C363 PolarHBondContact O-N 2.88Å; C363-Y367 WeakPolarHBondContact O-CB 3.43Å; C363-Y367 PolarHBondContact O-N 3.01Å
364R53.1Low49.6Very low74 Ų74109.2 Ų109.228%0.27951%0.509SS..Hα-helixtrans-77.8-33.1179.7-164.6176.8179.7164.85.4112.3L360 F361 C362 L372 E394L360-R364 PolarHBondContact O-N 3.39Å; F361-R364 PolarHBondContact O-N 3.16Å; F361-R364 VanDerWaalsContact O-N 3.14Å; C362-R364 VanDerWaalsContact C-N 3.29Å; C362-R364 PolarHBondContact O-N 3.42Å; R364-L372 HydrophobicContact CB-CD1 4.28Å; R364-L372 HydrophobicContact CG-CD1 4.33Å; R364-E394 IonicContact CZ-OE1 3.65Å; R364-E394 IonicContact NH1-OE1 3.52Å; R364-E394 IonicContact NH2-OE1 2.86Å; R364-E394 PolarHBondContact NH2-OE1 3.14Å
365E51.5Low49.9Very low109 Ų109109 Ų10951%0.50950%0.501SS..Hα-helixtrans-82-32177.2-78-154.913900113.6K320 F361 C362K320-E365 WeakPolarHBondContact CE-OE1 3.46Å; K320-E365 IonicContact NZ-OE1 3.58Å; K320-E365 PolarHBondContact NZ-OE1 2.91Å; K320-E365 IonicContact NZ-OE2 2.97Å; F361-E365 HydrophobicContact CE1-CG 4.39Å; F361-E365 PolarHBondContact O-N 3.3Å; C362-E365 PolarHBondContact O-N 2.69Å
366L49.2Very low50.4Low121 Ų121101.5 Ų101.563%0.63447%0.471SS*.Hα-helixtrans-91.8-27.7-176.6-72.9167.5000114.9C362C362-L366 WeakPolarHBondContact O-CB 3.35Å; C362-L366 PolarHBondContact O-N 2.83Å; C362-L366 VanDerWaalsContact SG-CD1 3.59Å
367Y46.1Very low50.8Low140 Ų140105.1 Ų105.155%0.54948%0.479SS..SBendtrans-121.63.7-164.9-67.5-82.3000116.4C363 L371C363-Y367 WeakPolarHBondContact O-CB 3.43Å; C363-Y367 PolarHBondContact O-N 3.01Å; Y367-L371 HydrophobicContact CD1-CD2 3.88Å; Y367-L371 HydrophobicContact CG-CD2 4.24Å
368G47.7Very low50.9Low40 Ų40102.2 Ų102.241%0.41248%0.483SS..Hα-helixtrans62.8168.2177.800000114.2R370G368-R370 PolarHBondContact O-N 3.38Å; G368-R370 VanDerWaalsContact O-N 3.07Å
369Q52.1Low51.1Low148 Ų148104.9 Ų104.969%0.69249%0.49SS*.Hα-helixtrans-65-14.6-175.1-68.1-174.55.500114.5
370R52.7Low51.5Low221 Ų221108.8 Ų108.883%0.83450%0.5SS*.Hα-helixtrans-76.5-40.1-175-72.8-177.8-177.8-170.12.7112.3G368 R373G368-R370 PolarHBondContact O-N 3.38Å; G368-R370 VanDerWaalsContact O-N 3.07Å; R370-R373 PolarHBondContact O-N 2.87Å
371L51.8Low51.5Low78 Ų78112.9 Ų112.941%0.40852%0.522SS..Hα-helixtrans-74.6-29.5-178.2-116.993.5000113.9Y367 R373 D374 I375Y367-L371 HydrophobicContact CD1-CD2 3.88Å; Y367-L371 HydrophobicContact CG-CD2 4.24Å; L371-R373 PolarHBondContact O-N 3.48Å; L371-D374 PolarHBondContact O-N 2.99Å; L371-I375 WeakPolarHBondContact O-CG1 3.42Å; L371-I375 PolarHBondContact O-N 3.16Å
372L52.9Low51.9Low31 Ų31116 Ų11616%0.16254%0.537CS..Hα-helixtrans-60.7-30176.3-97.9146000112.5L360 R364 C376L360-L372 HydrophobicContact CD2-CD2 4.29Å; R364-L372 HydrophobicContact CB-CD1 4.28Å; R364-L372 HydrophobicContact CG-CD1 4.33Å; L372-C376 WeakPolarHBondContact O-CB 3.38Å; L372-C376 PolarHBondContact O-N 3.35Å
373R53.7Low52.3Low189 Ų189116.5 Ų116.571%0.71353%0.532SS*.Hα-helixtrans-71.9-33.6173.5-95.4-175.3-122.2-150.5-1.4113R370 L371R370-R373 PolarHBondContact O-N 2.87Å; L371-R373 PolarHBondContact O-N 3.48Å
374D52Low52.8Low98 Ų98121.3 Ų121.352%0.52455%0.553SS.*Hα-helixtrans-80.3-35.5-178.7-69.2-34.2000112.1L371 C376 R377L371-D374 PolarHBondContact O-N 2.99Å; D374-C376 VanDerWaalsContact C-N 3.3Å; D374-C376 PolarHBondContact O-N 3.38Å; D374-R377 PolarHBondContact O-N 3.24Å
375I55.8Low53Low98 Ų98122.7 Ų122.750%0.50357%0.565SS.*Hα-helixtrans-65.1-36.4171.8-64.1168.3000110.8L371 R377L371-I375 WeakPolarHBondContact O-CG1 3.42Å; L371-I375 PolarHBondContact O-N 3.16Å; I375-R377 VanDerWaalsContact C-N 3.27Å; I375-R377 PolarHBondContact O-N 3.3Å
376C53.9Low53.1Low23 Ų23118.3 Ų118.316%0.15555%0.546CS..G310 helixtrans-74.7-3.6178.3-93.70000115L372 D374 C378 Q383 C386L372-C376 WeakPolarHBondContact O-CB 3.38Å; L372-C376 PolarHBondContact O-N 3.35Å; D374-C376 VanDerWaalsContact C-N 3.3Å; D374-C376 PolarHBondContact O-N 3.38Å; C376-C378 PolarHBondContact O-N 3.49Å; C376-Q383 HydrophobicContact CB-CG 4.1Å; C376-Q383 WeakPolarHBondContact O-CG 3.38Å; C376-Q383 PolarHBondContact O-NE2 2.9Å; C376-C386 VanDerWaalsContact SG-CB 3.57Å; C376-C386 VanDerWaalsContact SG-SG 3.63Å
377R55.7Low53.6Low202 Ų202118.6 Ų118.676%0.76254%0.544SS*.G310 helixtrans-73-11.1178.5-94.3178.3168.4-174.7-2.8114.5D374 I375D374-R377 PolarHBondContact O-N 3.24Å; I375-R377 VanDerWaalsContact C-N 3.27Å; I375-R377 PolarHBondContact O-N 3.3Å
378C52.6Low54.2Low105 Ų105116 Ų11671%0.70954%0.54SS*.G310 helixtrans-90.6-4.7-164.2-123.10000118.1C376C376-C378 PolarHBondContact O-N 3.49Å
379R54.5Low54.6Low193 Ų193115.6 Ų115.673%0.72853%0.532SS*.  trans-169.6127.6170.8-106.8159.7-164.8-158.14.9109.7L381 Q382 Q383R379-L381 PolarHBondContact O-N 3.28Å; R379-Q382 HydrophobicContact CB-CB 4.29Å; R379-Q382 WeakPolarHBondContact O-CB 3.25Å; R379-Q382 PolarHBondContact O-N 2.82Å; R379-Q383 PolarHBondContact O-N 2.78Å
380R54.9Low55Low232 Ų232110.7 Ų110.788%0.87551%0.511SS*.Hα-helixtrans-53.8-28.5-179.4-82.5180178.1174-0.8114.2
381L51.8Low55.3Low140 Ų140106.3 Ų106.373%0.73350%0.498SS*.Hα-helixtrans-75.6-30.4173.5-87.1100.8000113.9R379 Q383 L385R379-L381 PolarHBondContact O-N 3.28Å; L381-Q383 VanDerWaalsContact C-N 3.35Å; L381-L385 WeakPolarHBondContact O-CB 3.49Å; L381-L385 PolarHBondContact O-N 2.99Å; L381-L385 VanDerWaalsContact O-N 3.16Å
382Q56Low55.5Low108 Ų108108.3 Ų108.351%0.50551%0.505SS..Hα-helixtrans-70.3-31.8175.7-100.1176.1-3800111.8R379 C386R379-Q382 HydrophobicContact CB-CB 4.29Å; R379-Q382 WeakPolarHBondContact O-CB 3.25Å; R379-Q382 PolarHBondContact O-N 2.82Å; Q382-C386 WeakPolarHBondContact O-CB 3.41Å; Q382-C386 PolarHBondContact O-N 2.86Å
383Q55.3Low55.7Low79 Ų79108.9 Ų108.937%0.36951%0.508SS..Hα-helixtrans-63-45.9175.5-71.7-174.3-17.300112.2C376 R379 L381 C386 Q387C376-Q383 HydrophobicContact CB-CG 4.1Å; C376-Q383 WeakPolarHBondContact O-CG 3.38Å; C376-Q383 PolarHBondContact O-NE2 2.9Å; R379-Q383 PolarHBondContact O-N 2.78Å; L381-Q383 VanDerWaalsContact C-N 3.35Å; Q383-C386 PolarHBondContact O-N 3.27Å; Q383-Q387 WeakPolarHBondContact O-CB 3.48Å; Q383-Q387 WeakPolarHBondContact O-CG 3.39Å; Q383-Q387 PolarHBondContact O-N 3.08Å
384H56Low55.9Low119 Ų119103.6 Ų103.655%0.55149%0.491SS*.Hα-helixtrans-72.7-39.6-177.2-141.7-65.1000111.8Q387 L388H384-Q387 PolarHBondContact O-N 3.33Å; H384-L388 WeakPolarHBondContact O-CB 3.47Å; H384-L388 WeakPolarHBondContact O-CD1 3.39Å; H384-L388 VanDerWaalsContact O-CG 3.22Å; H384-L388 WeakPolarHBondContact O-CG 3.43Å; H384-L388 PolarHBondContact O-N 2.97Å
385L57.3Low56.1Low102 Ų102105.3 Ų105.353%0.53450%0.496SS..Hα-helixtrans-65.8-38.7172.7-81.8158.4000111.9L381 A389L381-L385 WeakPolarHBondContact O-CB 3.49Å; L381-L385 PolarHBondContact O-N 2.99Å; L381-L385 VanDerWaalsContact O-N 3.16Å; L385-A389 WeakPolarHBondContact O-CB 3.47Å; L385-A389 PolarHBondContact O-N 3.02Å
386C53.6Low56.2Low17 Ų17106.4 Ų106.412%0.11550%0.502CS..Hα-helixtrans-70.8-38.1176.6-165.20000111.7C376 Q382 Q383 L390C376-C386 VanDerWaalsContact SG-CB 3.57Å; C376-C386 VanDerWaalsContact SG-SG 3.63Å; Q382-C386 WeakPolarHBondContact O-CB 3.41Å; Q382-C386 PolarHBondContact O-N 2.86Å; Q383-C386 PolarHBondContact O-N 3.27Å; C386-L390 VanDerWaalsContact O-CB 3.22Å; C386-L390 WeakPolarHBondContact O-CB 3.35Å; C386-L390 WeakPolarHBondContact O-CD1 3.37Å; C386-L390 WeakPolarHBondContact O-CG 3.33Å; C386-L390 PolarHBondContact O-N 3.02Å
387Q58.4Low56.6Low127 Ų127107 Ų10759%0.59350%0.504SS*.Hα-helixtrans-66.8-41.8173.9-82.4174.4-1700112.2Q383 H384 L390 K391Q383-Q387 WeakPolarHBondContact O-CB 3.48Å; Q383-Q387 WeakPolarHBondContact O-CG 3.39Å; Q383-Q387 PolarHBondContact O-N 3.08Å; H384-Q387 PolarHBondContact O-N 3.33Å; Q387-L390 PolarHBondContact O-N 3.13Å; Q387-K391 VanDerWaalsContact O-CB 3.29Å; Q387-K391 WeakPolarHBondContact O-CB 3.46Å; Q387-K391 PolarHBondContact O-N 2.85Å
388L60Low57.4Low86 Ų86101.5 Ų101.545%0.4549%0.489SS..Hα-helixtrans-64.6-45.9174.9-72.8167.1000111.1H384 L390 K391 E392H384-L388 WeakPolarHBondContact O-CB 3.47Å; H384-L388 WeakPolarHBondContact O-CD1 3.39Å; H384-L388 VanDerWaalsContact O-CG 3.22Å; H384-L388 WeakPolarHBondContact O-CG 3.43Å; H384-L388 PolarHBondContact O-N 2.97Å; L388-L390 VanDerWaalsContact C-N 3.35Å; L388-L390 PolarHBondContact O-N 3.21Å; L388-K391 PolarHBondContact O-N 3.3Å; L388-E392 WeakPolarHBondContact O-CG 3.34Å; L388-E392 PolarHBondContact O-N 3.47Å
389A56.6Low58.7Low32 Ų32101 Ų10126%0.26447%0.474SS..Hα-helixtrans-63.8-38.1176.600000112.5L385 L393L385-A389 WeakPolarHBondContact O-CB 3.47Å; L385-A389 PolarHBondContact O-N 3.02Å; A389-L393 VanDerWaalsContact O-CB 3.26Å; A389-L393 WeakPolarHBondContact O-CB 3.42Å; A389-L393 WeakPolarHBondContact O-CD1 3.15Å; A389-L393 WeakPolarHBondContact O-CG 3.27Å; A389-L393 PolarHBondContact O-N 3.47Å
390L59.6Low60.2Low44 Ų4496.8 Ų96.823%0.2347%0.465CS..Hα-helixtrans-68.1-38.8175.1-75.2169.9000111.8C386 Q387 L388 L393 E394C386-L390 VanDerWaalsContact O-CB 3.22Å; C386-L390 WeakPolarHBondContact O-CB 3.35Å; C386-L390 WeakPolarHBondContact O-CD1 3.37Å; C386-L390 WeakPolarHBondContact O-CG 3.33Å; C386-L390 PolarHBondContact O-N 3.02Å; Q387-L390 PolarHBondContact O-N 3.13Å; L388-L390 VanDerWaalsContact C-N 3.35Å; L388-L390 PolarHBondContact O-N 3.21Å; L390-L393 PolarHBondContact O-N 3.1Å; L390-E394 WeakPolarHBondContact O-CB 3.43Å; L390-E394 WeakPolarHBondContact O-CG 3.38Å; L390-E394 PolarHBondContact O-N 3.02Å
391K58.1Low62Low130 Ų13085.8 Ų85.857%0.56542%0.424SS*.Hα-helixtrans-66.9-43.5177.5-166.5177-180-174.50111.5Q387 L388 E394 E395Q387-K391 VanDerWaalsContact O-CB 3.29Å; Q387-K391 WeakPolarHBondContact O-CB 3.46Å; Q387-K391 PolarHBondContact O-N 2.85Å; L388-K391 PolarHBondContact O-N 3.3Å; K391-E394 PolarHBondContact O-N 3.46Å; K391-E395 WeakPolarHBondContact O-CG 3.46Å; K391-E395 PolarHBondContact O-N 3.09Å
392E57.1Low63.9Low119 Ų11980.5 Ų80.556%0.55640%0.398SS*.Hα-helixtrans-65.3-37.8173.4-72179.3178.900111.8L388 E395 L396L388-E392 WeakPolarHBondContact O-CG 3.34Å; L388-E392 PolarHBondContact O-N 3.47Å; E392-E395 PolarHBondContact O-N 2.94Å; E392-L396 WeakPolarHBondContact O-CD1 3.44Å; E392-L396 PolarHBondContact O-N 3.27Å
393L57.1Low65.6Low43 Ų4375.3 Ų75.323%0.22537%0.374CS..Hα-helixtrans-67.1-35173.9-91.2155.6000112.9A389 L390 L396 L397A389-L393 VanDerWaalsContact O-CB 3.26Å; A389-L393 WeakPolarHBondContact O-CB 3.42Å; A389-L393 WeakPolarHBondContact O-CD1 3.15Å; A389-L393 WeakPolarHBondContact O-CG 3.27Å; A389-L393 PolarHBondContact O-N 3.47Å; L390-L393 PolarHBondContact O-N 3.1Å; L393-L396 PolarHBondContact O-N 3.04Å; L393-L397 WeakPolarHBondContact O-CD1 3.25Å; L393-L397 WeakPolarHBondContact O-CG 3.45Å; L393-L397 PolarHBondContact O-N 2.63Å
394E57.1Low67.3Low78 Ų7872.3 Ų72.336%0.36436%0.362SS..Hα-helixtrans-68.2-39.1175.5-79.7178.9172.700111.6R364 L390 K391 L396 L397 I398R364-E394 IonicContact CZ-OE1 3.65Å; R364-E394 IonicContact NH1-OE1 3.52Å; R364-E394 IonicContact NH2-OE1 2.86Å; R364-E394 PolarHBondContact NH2-OE1 3.14Å; L390-E394 WeakPolarHBondContact O-CB 3.43Å; L390-E394 WeakPolarHBondContact O-CG 3.38Å; L390-E394 PolarHBondContact O-N 3.02Å; K391-E394 PolarHBondContact O-N 3.46Å; E394-L396 VanDerWaalsContact C-N 3.27Å; E394-L396 PolarHBondContact O-N 3.45Å; E394-L397 PolarHBondContact O-N 2.85Å; E394-I398 WeakPolarHBondContact O-CD1 3.31Å; E394-I398 VanDerWaalsContact O-CG1 3.25Å; E394-I398 WeakPolarHBondContact O-CG1 3.47Å; E394-I398 PolarHBondContact O-N 2.86Å
395E56.5Low68.9Low135 Ų13571.6 Ų71.663%0.63136%0.359SS*.Hα-helixtrans-64.4-30173.8-73.5174.4-171.400112.7K391 E392K391-E395 WeakPolarHBondContact O-CG 3.46Å; K391-E395 PolarHBondContact O-N 3.09Å; E392-E395 PolarHBondContact O-N 2.94Å
396L58.8Low70.4Confident121 Ų12169.1 Ų69.163%0.63435%0.348SS*.Hα-helixtrans-77.3-21.5174.9-95130.7000114.4E392 L393 E394E392-L396 WeakPolarHBondContact O-CD1 3.44Å; E392-L396 PolarHBondContact O-N 3.27Å; L393-L396 PolarHBondContact O-N 3.04Å; E394-L396 VanDerWaalsContact C-N 3.27Å; E394-L396 PolarHBondContact O-N 3.45Å
397L61.7Low72Confident35 Ų3571.8 Ų71.818%0.18337%0.365CS..Hα-helixtrans-100.9-21.7-175.9-72.2167.7000113.5F361 L393 E394 K399 M409F361-L397 HydrophobicContact CE2-CD1 4.28Å; F361-L397 HydrophobicContact CE2-CD2 4.47Å; L393-L397 WeakPolarHBondContact O-CD1 3.25Å; L393-L397 WeakPolarHBondContact O-CG 3.45Å; L393-L397 PolarHBondContact O-N 2.63Å; E394-L397 PolarHBondContact O-N 2.85Å; L397-K399 PolarHBondContact O-N 3.41Å; L397-K399 VanDerWaalsContact O-N 3.17Å; L397-M409 HydrophobicContact CB-CE 4Å; L397-M409 HydrophobicContact CD1-CE 3.84Å
398I73.1Confident73.2Confident87 Ų8772.1 Ų72.145%0.44636%0.361SS..EExtended strand (participates in β ladder)trans-76.4104.3174.8-65.2164.7000108.2E394 P407 R408E394-I398 WeakPolarHBondContact O-CD1 3.31Å; E394-I398 VanDerWaalsContact O-CG1 3.25Å; E394-I398 WeakPolarHBondContact O-CG1 3.47Å; E394-I398 PolarHBondContact O-N 2.86Å; I398-P407 HydrophobicContact CG2-CB 3.69Å; I398-R408 WeakPolarHBondContact CA-O 3.14Å
399K79.1Confident74.3Confident94 Ų9471.5 Ų71.541%0.40936%0.357SS..EExtended strand (participates in β ladder)trans-117.4158.7174.1-60.5-175.2-177.5178.80109.1L397 C401 R408 C410 L424L397-K399 PolarHBondContact O-N 3.41Å; L397-K399 VanDerWaalsContact O-N 3.17Å; K399-C401 PolarHBondContact O-N 3.26Å; K399-R408 PolarHBondContact N-O 2.85Å; K399-R408 PolarHBondContact O-N 3.37Å; K399-C410 HydrophobicContact CB-CB 4.22Å; K399-L424 HydrophobicContact CB-CD1 4.32Å; K399-L424 HydrophobicContact CD-CD1 3.51Å
400I87Confident75.7Confident105 Ų10570.2 Ų70.254%0.53835%0.346SS..EExtended strand (participates in β ladder)trans-73122.6173.3-57.8175.1000107.6S402I400-S402 PolarHBondContact O-N 3.2Å
401C91.7Very high76.9Confident0 Ų070.4 Ų70.40%035%0.347CS..  trans-72.5123175.3174.80000109.7K399 L403 S404 Q405 V406 S426 C429K399-C401 PolarHBondContact O-N 3.26Å; C401-L403 PolarHBondContact O-N 3.14Å; C401-L403 VanDerWaalsContact O-N 3.11Å; C401-S404 WeakPolarHBondContact CB-OG 3.4Å; C401-S404 PolarHBondContact O-N 3.49Å; C401-Q405 WeakPolarHBondContact O-CA 3.36Å; C401-Q405 PolarHBondContact O-N 2.99Å; C401-V406 PolarHBondContact N-O 2.98Å; C401-V406 VanDerWaalsContact N-O 3.14Å; C401-S426 PolarHBondContact SG-N 3.29Å; C401-C429 VanDerWaalsContact SG-SG 3.67Å
402S92.4Very high78.4Confident29 Ų2965.7 Ų65.720%0.20333%0.326CS..THydrogen-bonded Turntrans-60.8-25.9-175-54.50000114.1N300 I400 Q405 L424N300-S402 WeakPolarHBondContact CB-O 3.38Å; N300-S402 PolarHBondContact ND2-O 3.37Å; I400-S402 PolarHBondContact O-N 3.2Å; S402-Q405 PolarHBondContact O-NE2 3.03Å; S402-L424 PolarHBondContact N-O 3.35Å; S402-L424 PolarHBondContact OG-N 3.39Å; S402-L424 PolarHBondContact OG-O 2.89Å
403L92.3Very high80.1Confident0 Ų063.2 Ų63.20%031%0.311CS..THydrogen-bonded Turntrans-83.8-55.8177.3-72.5167.4000113F298 S299 N300 L303 V307 C401 M414 V425 C429 I433F298-L403 HydrophobicContact CB-CB 4.27Å; F298-L403 HydrophobicContact CD1-CB 4.14Å; F298-L403 HydrophobicContact CD2-CB 4.43Å; F298-L403 HydrophobicContact CD2-CD2 3.91Å; F298-L403 HydrophobicContact CE2-CD1 4.32Å; F298-L403 HydrophobicContact CE2-CD2 4.33Å; F298-L403 HydrophobicContact CG-CB 4.04Å; F298-L403 HydrophobicContact CG-CD2 4.29Å; F298-L403 HydrophobicContact CZ-CD1 4.39Å; S299-L403 PolarHBondContact N-O 3.3Å; N300-L403 PolarHBondContact N-O 2.95Å; L303-L403 HydrophobicContact CB-CD2 4.32Å; L303-L403 HydrophobicContact CD2-CD2 3.73Å; L303-L403 HydrophobicContact CD2-CG 4.11Å; L303-L403 HydrophobicContact CG-CD2 3.74Å; V307-L403 HydrophobicContact CG2-CD2 4.09Å; C401-L403 PolarHBondContact O-N 3.14Å; C401-L403 VanDerWaalsContact O-N 3.11Å; L403-M414 HydrophobicContact CD1-CE 4.22Å; L403-M414 HydrophobicContact CD1-SD 4.3Å; L403-M414 HydrophobicContact CD2-CE 4.42Å; L403-M414 HydrophobicContact CG-CE 4.43Å; L403-V425 HydrophobicContact CD1-CG1 3.98Å; L403-V425 HydrophobicContact CD1-CG2 4.09Å; L403-C429 HydrophobicContact CB-CB 4.38Å; L403-C429 HydrophobicContact CD1-CB 3.93Å; L403-I433 HydrophobicContact CD1-CD1 3.58Å
404S91Very high81.8Confident16 Ų1661.2 Ų61.211%0.11230%0.301CS..THydrogen-bonded Turntrans-81.7-15-176.569.70000114S299 C401 V406S299-S404 VanDerWaalsContact CB-O 3.28Å; S299-S404 WeakPolarHBondContact CB-O 3.33Å; S299-S404 PolarHBondContact OG-O 3.22Å; C401-S404 WeakPolarHBondContact CB-OG 3.4Å; C401-S404 PolarHBondContact O-N 3.49Å; S404-V406 WeakPolarHBondContact O-CG2 3.12Å; S404-V406 PolarHBondContact O-N 3.45Å
405Q89.3Confident83.5Confident104 Ų10459.8 Ų59.849%0.48629%0.293SS..  trans55.333.5-175-60.1-68.54.200113.5N300 C401 S402N300-Q405 HydrophobicContact CB-CG 4.27Å; N300-Q405 PolarHBondContact ND2-NE2 3.2Å; C401-Q405 WeakPolarHBondContact O-CA 3.36Å; C401-Q405 PolarHBondContact O-N 2.99Å; S402-Q405 PolarHBondContact O-NE2 3.03Å
406V88.7Confident85Confident49 Ų4953.4 Ų53.430%0.29726%0.264SS..SBendtrans-127.4139.9-178.1174.20000109.1C401 S404 R408C401-V406 PolarHBondContact N-O 2.98Å; C401-V406 VanDerWaalsContact N-O 3.14Å; S404-V406 WeakPolarHBondContact O-CG2 3.12Å; S404-V406 PolarHBondContact O-N 3.45Å; V406-R408 HydrophobicContact CG1-CG 4.32Å; V406-R408 VanDerWaalsContact CG1-CZ 3.46Å; V406-R408 VanDerWaalsContact CG1-NH1 3.27Å; V406-R408 PolarHBondContact O-N 3.25Å
407P86.1Confident85.9Confident74 Ų7450.4 Ų50.448%0.48125%0.253SS..EExtended strand (participates in β ladder)trans-62.2120173.424.7-34.1000110.9I398I398-P407 HydrophobicContact CG2-CB 3.69Å
408R84.3Confident86.3Confident134 Ų13455.2 Ų55.251%0.50628%0.279SS..EExtended strand (participates in β ladder)trans-147.8165.4-178.2-68.2-65.1-176.1-1107.1109.6I398 K399 V406 C410I398-R408 WeakPolarHBondContact CA-O 3.14Å; K399-R408 PolarHBondContact N-O 2.85Å; K399-R408 PolarHBondContact O-N 3.37Å; V406-R408 HydrophobicContact CG1-CG 4.32Å; V406-R408 VanDerWaalsContact CG1-CZ 3.46Å; V406-R408 VanDerWaalsContact CG1-NH1 3.27Å; V406-R408 PolarHBondContact O-N 3.25Å; R408-C410 PolarHBondContact O-N 3.06Å
409M82Confident86.4Confident73 Ų7352 Ų5236%0.3626%0.264SS..EExtended strand (participates in β ladder)trans-71.4111.6168.1-59.2-173.180.600109.2L397L397-M409 HydrophobicContact CB-CE 4Å; L397-M409 HydrophobicContact CD1-CE 3.84Å
410C85.9Confident86.3Confident5 Ų553.9 Ų53.93%0.03428%0.278CS..  trans-106.488.5-177.7-67.20000110.1K399 R408 Y412 L424 V425K399-C410 HydrophobicContact CB-CB 4.22Å; R408-C410 PolarHBondContact O-N 3.06Å; C410-Y412 VanDerWaalsContact C-N 3.33Å; C410-L424 HydrophobicContact CB-CB 4.26Å; C410-V425 WeakPolarHBondContact CA-O 3.45Å
411N86.1Confident86.3Confident48 Ų4852.8 Ų52.826%0.25727%0.274SS..  trans-94.510.2177.9-60.1-9.4000112.5L321L321-N411 PolarHBondContact N-O 3.17Å
412Y90.2Very high86.2Confident31 Ų3157.1 Ų57.112%0.12229%0.29CS..EExtended strand (participates in β ladder)trans-130.5148.2-177.8-59.3-85.8000110.3E319 K320 C410 V425 R430E319-Y412 CarbonylContact O-C 3.54Å; E319-Y412 VanDerWaalsContact O-CA 3.32Å; E319-Y412 WeakPolarHBondContact O-CA 3.36Å; K320-Y412 HydrophobicContact CB-CD1 4.18Å; K320-Y412 HydrophobicContact CB-CE1 4.05Å; K320-Y412 HydrophobicContact CG-CD1 4.39Å; K320-Y412 HydrophobicContact CG-CE1 4.04Å; C410-Y412 VanDerWaalsContact C-N 3.33Å; Y412-V425 PolarHBondContact N-O 3.3Å; Y412-V425 PolarHBondContact O-N 3.48Å; Y412-R430 HydrophobicContact CD1-CG 3.92Å; Y412-R430 HydrophobicContact CD2-CB 4.02Å; Y412-R430 HydrophobicContact CD2-CG 4.16Å; Y412-R430 HydrophobicContact CE1-CG 4.1Å; Y412-R430 HydrophobicContact CE2-CB 4.39Å; Y412-R430 HydrophobicContact CE2-CG 4.35Å; Y412-R430 HydrophobicContact CG-CB 4.15Å; Y412-R430 HydrophobicContact CG-CG 3.95Å; Y412-R430 VanDerWaalsContact CZ-NE 3.34Å; Y412-R430 PolarHBondContact OH-NE 3.01Å; Y412-R430 PolarHBondContact OH-NH2 3.45Å
413R91.1Very high86.1Confident67 Ų6758 Ų5825%0.25329%0.289SS..EExtended strand (participates in β ladder)trans-120.8146.1167.463.3173.7-174.6-166.3-0.8110L318 E319 L321 W422 Y423L318-R413 WeakPolarHBondContact CA-O 3.35Å; E319-R413 HydrophobicContact CB-CG 3.96Å; E319-R413 PolarHBondContact N-O 2.96Å; E319-R413 PolarHBondContact O-N 3.4Å; E319-R413 IonicContact OE2-CZ 2.65Å; E319-R413 IonicContact OE2-NE 3.93Å; E319-R413 PolarHBondContact OE2-NE 2.97Å; E319-R413 IonicContact OE2-NH2 2.8Å; E319-R413 PolarHBondContact OE2-NH2 3.24Å; L321-R413 HydrophobicContact CD2-CB 3.98Å; L321-R413 HydrophobicContact CD2-CG 3.66Å; L321-R413 HydrophobicContact CG-CB 4.34Å; L321-R413 HydrophobicContact CG-CG 4.31Å; R413-W422 HydrophobicContact CB-CB 4.39Å; R413-W422 HydrophobicContact CB-CD2 4.4Å; R413-W422 HydrophobicContact CB-CE3 3.74Å; R413-W422 HydrophobicContact CB-CZ3 4.39Å; R413-W422 VanDerWaalsContact CD-CD2 3.45Å; R413-W422 HydrophobicContact CG-CD2 4.04Å; R413-W422 HydrophobicContact CG-CE3 3.38Å; R413-W422 HydrophobicContact CG-CZ3 3.67Å; R413-Y423 CarbonylContact C-O 3.57Å; R413-Y423 VanDerWaalsContact CA-O 3.26Å; R413-Y423 WeakPolarHBondContact CA-O 3.45Å
414M93.2Very high86.1Confident0 Ų060.3 Ų60.30%030%0.301CS..EExtended strand (participates in β ladder)trans-128.4141.1-177.5178.6-170.173.900110.1L303 V307 I316 L317 L318 L403 T416 Y423 V425 I433L303-M414 HydrophobicContact CD1-CE 4.32Å; L303-M414 HydrophobicContact CD2-CE 4.39Å; L303-M414 HydrophobicContact CG-CE 4.41Å; V307-M414 HydrophobicContact CG2-CE 3.4Å; V307-M414 VanDerWaalsContact CG2-CE 3.4Å; V307-M414 HydrophobicContact CG2-SD 3.67Å; I316-M414 HydrophobicContact CD1-CG 4.24Å; I316-M414 HydrophobicContact CD1-SD 3.87Å; I316-M414 HydrophobicContact CG1-CG 4.1Å; I316-M414 HydrophobicContact CG1-SD 4.36Å; L317-M414 CarbonylContact O-C 3.58Å; L317-M414 WeakPolarHBondContact O-CA 3.33Å; L318-M414 HydrophobicContact CD1-CG 4.3Å; L318-M414 HydrophobicContact CG-CB 4.35Å; L318-M414 HydrophobicContact CG-CG 4.19Å; L403-M414 HydrophobicContact CD1-CE 4.22Å; L403-M414 HydrophobicContact CD1-SD 4.3Å; L403-M414 HydrophobicContact CD2-CE 4.42Å; L403-M414 HydrophobicContact CG-CE 4.43Å; M414-T416 HydrophobicContact CE-CG2 4.32Å; M414-Y423 HydrophobicContact CE-CD2 4.37Å; M414-Y423 PolarHBondContact N-O 2.81Å; M414-Y423 PolarHBondContact O-N 3Å; M414-V425 HydrophobicContact CB-CG2 3.65Å; M414-V425 HydrophobicContact CE-CG2 4.38Å; M414-V425 HydrophobicContact SD-CG2 4.36Å; M414-I433 HydrophobicContact SD-CD1 3.69Å
415K92.4Very high86.1Confident48 Ų4859.6 Ų59.621%0.20930%0.296CS..EExtended strand (participates in β ladder)trans-122.8135.4173-177.7173.4174.31640109.6L317 S419 D420 W422L317-K415 HydrophobicContact CB-CB 4.27Å; L317-K415 PolarHBondContact N-O 3.48Å; L317-K415 PolarHBondContact O-N 2.91Å; K415-S419 WeakPolarHBondContact CE-O 3.31Å; K415-S419 WeakPolarHBondContact CG-O 3.26Å; K415-D420 WeakPolarHBondContact CE-OD1 3.46Å; K415-D420 IonicContact NZ-OD1 3.26Å; K415-D420 PolarHBondContact NZ-OD1 3.14Å; K415-W422 HydrophobicContact CB-CD2 4.32Å; K415-W422 HydrophobicContact CB-CE3 3.88Å; K415-W422 HydrophobicContact CB-CH2 4.24Å; K415-W422 HydrophobicContact CB-CZ3 3.85Å; K415-W422 HydrophobicContact CD-CZ2 4.47Å
416T89.1Confident86.2Confident2 Ų254.8 Ų54.81%0.01227%0.274CS..  trans-100.9153.9173.9500000110L303 K306 V307 M414 N418 S419L303-T416 HydrophobicContact CD1-CG2 4.49Å; K306-T416 HydrophobicContact CB-CG2 4.39Å; V307-T416 HydrophobicContact CG2-CG2 4.13Å; M414-T416 HydrophobicContact CE-CG2 4.32Å; T416-N418 PolarHBondContact O-N 2.84Å; T416-S419 PolarHBondContact O-N 2.89Å; T416-S419 PolarHBondContact OG1-OG 2.73Å; T416-S419 VanDerWaalsContact OG1-OG 3.04Å
417S77.9Confident86.2Confident58 Ų5854.1 Ų54.141%0.40627%0.272SS..THydrogen-bonded Turntrans-50.6-32.5-175.249.50000115.5S310 T315S310-S417 PolarHBondContact OG-N 2.76Å; S310-S417 PolarHBondContact OG-OG 2.73Å; T315-S417 WeakPolarHBondContact OG1-CB 3.16Å
418N70.2Confident86.4Confident136 Ų13654.5 Ų54.573%0.72727%0.266SS*.THydrogen-bonded Turntrans-101.610.5-167.2-614.8000113.1T416T416-N418 PolarHBondContact O-N 2.84Å
419S73.8Confident86.8Confident18 Ų1848.1 Ų48.113%0.12624%0.242CC..  trans-144.9134.5179.262.60000111.2K415 T416 D421K415-S419 WeakPolarHBondContact CE-O 3.31Å; K415-S419 WeakPolarHBondContact CG-O 3.26Å; T416-S419 PolarHBondContact O-N 2.89Å; T416-S419 PolarHBondContact OG1-OG 2.73Å; T416-S419 VanDerWaalsContact OG1-OG 3.04Å; S419-D421 PolarHBondContact O-N 3.13Å
420D77.9Confident87.4Confident135 Ų13548.6 Ų48.672%0.72224%0.24SC*.SBendtrans-73.7-9.3169.5-78.9-35000113.6K415K415-D420 WeakPolarHBondContact CE-OD1 3.46Å; K415-D420 IonicContact NZ-OD1 3.26Å; K415-D420 PolarHBondContact NZ-OD1 3.14Å
421D86.1Confident87.7Confident82 Ų8249.8 Ų49.844%0.43925%0.246SC..PPolyproline II helixtrans-73.2138.6-179.6-59-42.4000113.4S419S419-D421 PolarHBondContact O-N 3.13Å
422W89.9Confident88.1Confident90 Ų9048.5 Ų48.534%0.34124%0.237SC..PPolyproline II helixtrans-92.2125.1172.1-71.299.3000111E319 R413 K415E319-W422 HydrophobicContact CB-CH2 4.47Å; E319-W422 HydrophobicContact CB-CZ3 4.36Å; E319-W422 HydrophobicContact CG-CH2 3.88Å; E319-W422 HydrophobicContact CG-CZ3 4.15Å; E319-W422 VanDerWaalsContact OE2-CH2 3.24Å; E319-W422 WeakPolarHBondContact OE2-CH2 3.48Å; R413-W422 HydrophobicContact CB-CB 4.39Å; R413-W422 HydrophobicContact CB-CD2 4.4Å; R413-W422 HydrophobicContact CB-CE3 3.74Å; R413-W422 HydrophobicContact CB-CZ3 4.39Å; R413-W422 VanDerWaalsContact CD-CD2 3.45Å; R413-W422 HydrophobicContact CG-CD2 4.04Å; R413-W422 HydrophobicContact CG-CE3 3.38Å; R413-W422 HydrophobicContact CG-CZ3 3.67Å; K415-W422 HydrophobicContact CB-CD2 4.32Å; K415-W422 HydrophobicContact CB-CE3 3.88Å; K415-W422 HydrophobicContact CB-CH2 4.24Å; K415-W422 HydrophobicContact CB-CZ3 3.85Å; K415-W422 HydrophobicContact CD-CZ2 4.47Å
423Y91.1Very high88.3Confident48 Ų4847 Ų4719%0.18823%0.232CC..EExtended strand (participates in β ladder)trans-97.5134.3174.5-58.5-81.3000110.5L303 R413 M414L303-Y423 HydrophobicContact CD1-CD1 4.31Å; L303-Y423 HydrophobicContact CD1-CD2 4.1Å; L303-Y423 HydrophobicContact CD1-CE1 4.15Å; L303-Y423 HydrophobicContact CD1-CE2 3.95Å; L303-Y423 HydrophobicContact CD1-CG 4.28Å; L303-Y423 HydrophobicContact CD2-CD1 3.96Å; L303-Y423 HydrophobicContact CD2-CE1 4.41Å; L303-Y423 HydrophobicContact CD2-CG 4.11Å; R413-Y423 CarbonylContact C-O 3.57Å; R413-Y423 VanDerWaalsContact CA-O 3.26Å; R413-Y423 WeakPolarHBondContact CA-O 3.45Å; M414-Y423 HydrophobicContact CE-CD2 4.37Å; M414-Y423 PolarHBondContact N-O 2.81Å; M414-Y423 PolarHBondContact O-N 3Å
424L90.9Very high88.4Confident49 Ų4945 Ų4526%0.25723%0.229SC..EExtended strand (participates in β ladder)trans-81.5129.9177.3-68.1172.7000110.7L321 K399 S402 C410L321-L424 HydrophobicContact CD1-CD2 3.59Å; K399-L424 HydrophobicContact CB-CD1 4.32Å; K399-L424 HydrophobicContact CD-CD1 3.51Å; S402-L424 PolarHBondContact N-O 3.35Å; S402-L424 PolarHBondContact OG-N 3.39Å; S402-L424 PolarHBondContact OG-O 2.89Å; C410-L424 HydrophobicContact CB-CB 4.26Å
425V92.2Very high88.5Confident0 Ų045.3 Ų45.30%023%0.231CC..EExtended strand (participates in β ladder)trans-127.2134.8-172.5-175.10000110.5L403 C410 Y412 M414 C429 R430L403-V425 HydrophobicContact CD1-CG1 3.98Å; L403-V425 HydrophobicContact CD1-CG2 4.09Å; C410-V425 WeakPolarHBondContact CA-O 3.45Å; Y412-V425 PolarHBondContact N-O 3.3Å; Y412-V425 PolarHBondContact O-N 3.48Å; M414-V425 HydrophobicContact CB-CG2 3.65Å; M414-V425 HydrophobicContact CE-CG2 4.38Å; M414-V425 HydrophobicContact SD-CG2 4.36Å; V425-C429 HydrophobicContact CG1-CB 3.33Å; V425-R430 HydrophobicContact CG1-CB 4.46Å
426S91Very high88.6Confident3 Ų343 Ų432%0.02122%0.221CC..  trans-70.9157.6174.168.80000111.4C401 F428 C429 R430C401-S426 PolarHBondContact SG-N 3.29Å; S426-F428 PolarHBondContact O-N 3.25Å; S426-F428 VanDerWaalsContact O-N 3.16Å; S426-C429 PolarHBondContact O-N 3.06Å; S426-C429 PolarHBondContact OG-N 3.25Å; S426-R430 PolarHBondContact O-N 3.45Å
427S89.5Confident88.9Confident36 Ų3644.1 Ų44.125%0.25223%0.229SC..Hα-helixtrans-55.8-33.7173.4-172.90000112.6R430 N431S427-R430 PolarHBondContact O-N 3.24Å; S427-N431 WeakPolarHBondContact O-CB 3.35Å; S427-N431 PolarHBondContact O-N 2.73Å; S427-N431 PolarHBondContact O-ND2 3.44Å; S427-N431 PolarHBondContact O-OD1 3.31Å
428F90.7Very high89.7Confident81 Ų8145.3 Ų45.336%0.35523%0.231SC..Hα-helixtrans-63.1-50.4178.2173.6-100.6000111.8S426 N431 R432 G475S426-F428 PolarHBondContact O-N 3.25Å; S426-F428 VanDerWaalsContact O-N 3.16Å; F428-N431 PolarHBondContact O-N 2.95Å; F428-R432 PolarHBondContact O-N 3.43Å; F428-G475 VanDerWaalsContact CE2-CA 3.47Å
429C92.7Very high90.8Very high0 Ų038.8 Ų38.80%020%0.196CC..Hα-helixtrans-66.3-39.1177.7-71.40000112.1F298 C401 L403 V425 S426 N431 R432 I433F298-C429 HydrophobicContact CE1-CB 4.09Å; C401-C429 VanDerWaalsContact SG-SG 3.67Å; L403-C429 HydrophobicContact CB-CB 4.38Å; L403-C429 HydrophobicContact CD1-CB 3.93Å; V425-C429 HydrophobicContact CG1-CB 3.33Å; S426-C429 PolarHBondContact O-N 3.06Å; S426-C429 PolarHBondContact OG-N 3.25Å; C429-N431 VanDerWaalsContact C-N 3.32Å; C429-N431 PolarHBondContact O-N 3.41Å; C429-R432 PolarHBondContact O-N 3.11Å; C429-I433 WeakPolarHBondContact O-CG1 3.31Å; C429-I433 PolarHBondContact O-N 3.37Å
430R93.2Very high91.8Very high83 Ų8338.1 Ų38.131%0.31319%0.191SC..Hα-helixtrans-57.4-45.2174.8-178.7-80.9-112.2-167.10111.4L318 Y412 V425 S426 S427 R432 I433 A434L318-R430 HydrophobicContact CD2-CB 4.41Å; L318-R430 HydrophobicContact CD2-CG 3.84Å; Y412-R430 HydrophobicContact CD1-CG 3.92Å; Y412-R430 HydrophobicContact CD2-CB 4.02Å; Y412-R430 HydrophobicContact CD2-CG 4.16Å; Y412-R430 HydrophobicContact CE1-CG 4.1Å; Y412-R430 HydrophobicContact CE2-CB 4.39Å; Y412-R430 HydrophobicContact CE2-CG 4.35Å; Y412-R430 HydrophobicContact CG-CB 4.15Å; Y412-R430 HydrophobicContact CG-CG 3.95Å; Y412-R430 VanDerWaalsContact CZ-NE 3.34Å; Y412-R430 PolarHBondContact OH-NE 3.01Å; Y412-R430 PolarHBondContact OH-NH2 3.45Å; V425-R430 HydrophobicContact CG1-CB 4.46Å; S426-R430 PolarHBondContact O-N 3.45Å; S427-R430 PolarHBondContact O-N 3.24Å; R430-R432 PolarHBondContact O-N 3.38Å; R430-I433 PolarHBondContact O-N 3.4Å; R430-A434 VanDerWaalsContact O-CB 3.31Å; R430-A434 WeakPolarHBondContact O-CB 3.3Å; R430-A434 PolarHBondContact O-N 3.29Å
431N93.2Very high92.5Very high30 Ų3032.9 Ų32.916%0.1616%0.164CC..Hα-helixtrans-65-40.7-178.1-66.8-9.4000111.8S427 F428 C429 A434 A435S427-N431 WeakPolarHBondContact O-CB 3.35Å; S427-N431 PolarHBondContact O-N 2.73Å; S427-N431 PolarHBondContact O-ND2 3.44Å; S427-N431 PolarHBondContact O-OD1 3.31Å; F428-N431 PolarHBondContact O-N 2.95Å; C429-N431 VanDerWaalsContact C-N 3.32Å; C429-N431 PolarHBondContact O-N 3.41Å; N431-A434 PolarHBondContact O-N 2.78Å; N431-A435 WeakPolarHBondContact O-CB 3.44Å; N431-A435 PolarHBondContact O-N 2.87Å
432R94.4Very high92.9Very high22 Ų2230.2 Ų30.28%0.08315%0.148CC..Hα-helixtrans-61.6-44.3174.9-72.5177.670-170.34.4112P294 C295 T297 F298 F428 C429 R430 V436 A472P294-R432 PolarHBondContact O-NH2 3.29Å; C295-R432 PolarHBondContact O-NE 3.15Å; C295-R432 PolarHBondContact O-NH2 3.16Å; T297-R432 PolarHBondContact O-NH1 3.33Å; T297-R432 VanDerWaalsContact O-NH1 3.17Å; T297-R432 PolarHBondContact O-NH2 3Å; F298-R432 HydrophobicContact CZ-CB 4.23Å; F428-R432 PolarHBondContact O-N 3.43Å; C429-R432 PolarHBondContact O-N 3.11Å; R430-R432 PolarHBondContact O-N 3.38Å; R432-V436 WeakPolarHBondContact O-CG2 3.33Å; R432-V436 PolarHBondContact O-N 3.02Å; R432-A472 HydrophobicContact CG-CB 4.3Å; R432-A472 VanDerWaalsContact CG-O 3.3Å; R432-A472 WeakPolarHBondContact CG-O 3.44Å
433I94Very high93Very high0 Ų026 Ų260%013%0.132CC..Hα-helixtrans-65.5-48.5177.5-68.5166.7000110.8L296 F298 V307 I311 I316 L318 L403 M414 C429 R430 A435 V436 C437L296-I433 HydrophobicContact CD2-CG1 4.17Å; F298-I433 HydrophobicContact CZ-CG1 4.29Å; V307-I433 HydrophobicContact CG1-CD1 4.15Å; V307-I433 HydrophobicContact CG1-CG1 4.15Å; I311-I433 HydrophobicContact CD1-CG2 4.2Å; I316-I433 HydrophobicContact CD1-CG2 3.82Å; L318-I433 HydrophobicContact CD1-CG2 3.85Å; L318-I433 HydrophobicContact CD2-CB 4.35Å; L318-I433 HydrophobicContact CD2-CG2 4.03Å; L403-I433 HydrophobicContact CD1-CD1 3.58Å; M414-I433 HydrophobicContact SD-CD1 3.69Å; C429-I433 WeakPolarHBondContact O-CG1 3.31Å; C429-I433 PolarHBondContact O-N 3.37Å; R430-I433 PolarHBondContact O-N 3.4Å; I433-A435 PolarHBondContact O-N 2.72Å; I433-V436 PolarHBondContact O-N 3.31Å; I433-C437 PolarHBondContact O-N 3.13Å; I433-C437 PolarHBondContact O-SG 3.42Å; I433-C437 VanDerWaalsContact O-SG 3.35Å
434A93.9Very high93Very high23 Ų2325.2 Ų25.219%0.1913%0.128CC..Hα-helixtrans-57.4-48.8-179.500000111.7R430 N431 V436 C437 D438R430-A434 VanDerWaalsContact O-CB 3.31Å; R430-A434 WeakPolarHBondContact O-CB 3.3Å; R430-A434 PolarHBondContact O-N 3.29Å; N431-A434 PolarHBondContact O-N 2.78Å; A434-V436 PolarHBondContact O-N 3.49Å; A434-C437 CarbonylContact O-C 3.51Å; A434-C437 WeakPolarHBondContact O-CA 3.39Å; A434-C437 WeakPolarHBondContact O-CB 3.3Å; A434-C437 PolarHBondContact O-N 2.87Å; A434-D438 PolarHBondContact O-N 3.04Å
435A94.7Very high93.1Very high7 Ų726.5 Ų26.56%0.05813%0.13CC..Hα-helixtrans-57.9-36.3179.800000113.1N431 I433 L439 I469 A472N431-A435 WeakPolarHBondContact O-CB 3.44Å; N431-A435 PolarHBondContact O-N 2.87Å; I433-A435 PolarHBondContact O-N 2.72Å; A435-L439 PolarHBondContact O-N 2.98Å; A435-I469 HydrophobicContact CB-CG1 3.92Å; A435-I469 WeakPolarHBondContact O-CG1 3.37Å; A435-A472 HydrophobicContact CB-CB 3.9Å
436V95Very high93Very high0 Ų026.9 Ų26.90%013%0.132CC..Hα-helixtrans-74.9-41.5175.8178.60000111.1V292 C295 L296 I311 R432 I433 A434 D438 L439 F440 I469V292-V436 HydrophobicContact CG1-CG1 4Å; V292-V436 HydrophobicContact CG2-CG1 4.23Å; C295-V436 HydrophobicContact CB-CG2 4.05Å; L296-V436 HydrophobicContact CD1-CG1 4.08Å; L296-V436 HydrophobicContact CD2-CG2 4.29Å; L296-V436 HydrophobicContact CG-CG2 4.21Å; I311-V436 HydrophobicContact CG2-CG1 4.15Å; R432-V436 WeakPolarHBondContact O-CG2 3.33Å; R432-V436 PolarHBondContact O-N 3.02Å; I433-V436 PolarHBondContact O-N 3.31Å; A434-V436 PolarHBondContact O-N 3.49Å; V436-D438 VanDerWaalsContact C-N 3.29Å; V436-D438 PolarHBondContact O-N 2.98Å; V436-L439 PolarHBondContact O-N 3.02Å; V436-F440 HydrophobicContact CG1-CD2 3.74Å; V436-F440 HydrophobicContact CG1-CE2 3.68Å; V436-F440 WeakPolarHBondContact O-CD2 3.48Å; V436-F440 PolarHBondContact O-N 3.12Å; V436-F440 VanDerWaalsContact O-N 3.15Å; V436-I469 HydrophobicContact CG2-CD1 4.35Å; V436-I469 HydrophobicContact CG2-CG1 4.27Å; V436-I469 HydrophobicContact CG2-CG2 4.32Å
437C94.6Very high92.8Very high25 Ų2528.7 Ų28.717%0.16915%0.145CC..Hα-helixtrans-58.3-41174.7-73.20000112I433 A434 L439 F440 T441I433-C437 PolarHBondContact O-N 3.13Å; I433-C437 PolarHBondContact O-SG 3.42Å; I433-C437 VanDerWaalsContact O-SG 3.35Å; A434-C437 CarbonylContact O-C 3.51Å; A434-C437 WeakPolarHBondContact O-CA 3.39Å; A434-C437 WeakPolarHBondContact O-CB 3.3Å; A434-C437 PolarHBondContact O-N 2.87Å; C437-L439 VanDerWaalsContact C-N 3.34Å; C437-L439 PolarHBondContact O-N 2.82Å; C437-F440 PolarHBondContact O-N 2.84Å; C437-T441 VanDerWaalsContact O-CB 3.25Å; C437-T441 WeakPolarHBondContact O-CB 3.5Å; C437-T441 PolarHBondContact O-N 3.3Å; C437-T441 PolarHBondContact O-OG1 3.41Å
438D94.6Very high92.7Very high83 Ų8333 Ų3344%0.44416%0.161SC..Hα-helixtrans-60.8-43.9179-62.8-23.6000110.8A434 V436 T441 Y442 L465A434-D438 PolarHBondContact O-N 3.04Å; V436-D438 VanDerWaalsContact C-N 3.29Å; V436-D438 PolarHBondContact O-N 2.98Å; D438-T441 PolarHBondContact O-N 3.44Å; D438-Y442 WeakPolarHBondContact O-CB 3.42Å; D438-Y442 PolarHBondContact O-N 3.08Å; D438-L465 HydrophobicContact CB-CD2 3.85Å
439L94.3Very high92.4Very high0 Ų031.7 Ų31.70%017%0.171CC..Hα-helixtrans-60.3-52.6175.417965.4000112.5I287 A435 V436 C437 T441 Y442 L443 V462 L465 I469I287-L439 HydrophobicContact CG2-CD2 3.61Å; A435-L439 PolarHBondContact O-N 2.98Å; V436-L439 PolarHBondContact O-N 3.02Å; C437-L439 VanDerWaalsContact C-N 3.34Å; C437-L439 PolarHBondContact O-N 2.82Å; L439-T441 VanDerWaalsContact C-N 3.29Å; L439-T441 PolarHBondContact O-N 2.96Å; L439-Y442 PolarHBondContact O-N 2.94Å; L439-L443 HydrophobicContact CD1-CD1 4.31Å; L439-L443 HydrophobicContact CD1-CG 4.35Å; L439-L443 HydrophobicContact CG-CD1 4.2Å; L439-L443 WeakPolarHBondContact O-CG 3.49Å; L439-L443 PolarHBondContact O-N 3.34Å; L439-V462 HydrophobicContact CD1-CG1 4.29Å; L439-L465 HydrophobicContact CB-CB 4.34Å; L439-L465 HydrophobicContact CD1-CB 3.9Å; L439-L465 HydrophobicContact CD1-CD1 4.25Å; L439-I469 HydrophobicContact CB-CD1 3.92Å; L439-I469 HydrophobicContact CD2-CD1 3.57Å; L439-I469 HydrophobicContact CG-CD1 4.36Å
440F93.7Very high91.9Very high3 Ų336.2 Ų36.21%0.01319%0.194CC..Hα-helixtrans-66.8-33.1-178.9-79.9-75.4000112.5I276 F288 V292 I311 L312 V436 C437 R444I276-F440 HydrophobicContact CD1-CD1 4.28Å; F288-F440 AromaticContact CE1-CZ 3.77Å; F288-F440 HydrophobicContact CE1-CZ 3.77Å; F288-F440 HydrophobicContact CE2-CE1 4.27Å; F288-F440 HydrophobicContact CE2-CZ 4.1Å; F288-F440 AromaticContact CZ-CE1 3.82Å; F288-F440 HydrophobicContact CZ-CE1 3.82Å; F288-F440 AromaticContact CZ-CZ 3.47Å; F288-F440 HydrophobicContact CZ-CZ 3.47Å; F288-F440 VanDerWaalsContact CZ-CZ 3.47Å; V292-F440 HydrophobicContact CG1-CE2 4.25Å; V292-F440 HydrophobicContact CG2-CE2 3.81Å; V292-F440 HydrophobicContact CG2-CZ 4.11Å; I311-F440 HydrophobicContact CG2-CD2 3.93Å; I311-F440 HydrophobicContact CG2-CE2 4.5Å; L312-F440 HydrophobicContact CD2-CD1 4.06Å; L312-F440 HydrophobicContact CD2-CE1 3.48Å; L312-F440 VanDerWaalsContact CD2-CE1 3.48Å; L312-F440 HydrophobicContact CD2-CE2 4.03Å; L312-F440 HydrophobicContact CD2-CZ 3.48Å; L312-F440 VanDerWaalsContact CD2-CZ 3.48Å; V436-F440 HydrophobicContact CG1-CD2 3.74Å; V436-F440 HydrophobicContact CG1-CE2 3.68Å; V436-F440 WeakPolarHBondContact O-CD2 3.48Å; V436-F440 PolarHBondContact O-N 3.12Å; V436-F440 VanDerWaalsContact O-N 3.15Å; C437-F440 PolarHBondContact O-N 2.84Å; F440-R444 VanDerWaalsContact O-CG 3.26Å; F440-R444 WeakPolarHBondContact O-CG 3.23Å; F440-R444 PolarHBondContact O-N 2.93Å
441T93.2Very high91.3Very high25 Ų2534.3 Ų34.315%0.15319%0.19CC..Hα-helixtrans-65.2-45.6175.4-57.70000110.4C437 D438 L439 L443 R444 Y445C437-T441 VanDerWaalsContact O-CB 3.25Å; C437-T441 WeakPolarHBondContact O-CB 3.5Å; C437-T441 PolarHBondContact O-N 3.3Å; C437-T441 PolarHBondContact O-OG1 3.41Å; D438-T441 PolarHBondContact O-N 3.44Å; L439-T441 VanDerWaalsContact C-N 3.29Å; L439-T441 PolarHBondContact O-N 2.96Å; T441-L443 PolarHBondContact O-N 3.3Å; T441-R444 PolarHBondContact O-N 3.47Å; T441-Y445 HydrophobicContact CG2-CD2 4.2Å; T441-Y445 HydrophobicContact CG2-CE1 4.12Å; T441-Y445 HydrophobicContact CG2-CE2 3.53Å; T441-Y445 VanDerWaalsContact CG2-CZ 3.48Å; T441-Y445 PolarHBondContact O-N 2.88Å
442Y93.9Very high90.5Very high27 Ų2744.6 Ų44.611%0.10623%0.227CC..Hα-helixtrans-60.4-46175.4-177.5-105.5000112.6D438 L439 R444 Y445 L446 L451 S458 E461 V462 L465D438-Y442 WeakPolarHBondContact O-CB 3.42Å; D438-Y442 PolarHBondContact O-N 3.08Å; L439-Y442 PolarHBondContact O-N 2.94Å; Y442-R444 VanDerWaalsContact C-N 3.3Å; Y442-R444 PolarHBondContact O-N 3.3Å; Y442-Y445 PolarHBondContact O-N 2.94Å; Y442-Y445 VanDerWaalsContact O-N 3.14Å; Y442-L446 HydrophobicContact CD1-CD1 3.95Å; Y442-L446 HydrophobicContact CD1-CG 4.49Å; Y442-L446 HydrophobicContact CE1-CD1 3.46Å; Y442-L446 VanDerWaalsContact CE1-CD1 3.46Å; Y442-L446 HydrophobicContact CE1-CG 4.08Å; Y442-L446 PolarHBondContact O-N 3.42Å; Y442-L451 HydrophobicContact CD2-CD1 3.74Å; Y442-L451 HydrophobicContact CE2-CD1 3.4Å; Y442-L451 VanDerWaalsContact CE2-CD1 3.4Å; Y442-S458 WeakPolarHBondContact OH-CA 3.31Å; Y442-S458 PolarHBondContact OH-O 3.45Å; Y442-E461 HydrophobicContact CD2-CG 4.26Å; Y442-E461 HydrophobicContact CE1-CB 4.03Å; Y442-E461 HydrophobicContact CE1-CG 4.19Å; Y442-E461 HydrophobicContact CE2-CB 4.18Å; Y442-E461 HydrophobicContact CE2-CG 3.69Å; Y442-E461 WeakPolarHBondContact OH-CB 3.39Å; Y442-V462 HydrophobicContact CD1-CG2 4.12Å; Y442-V462 HydrophobicContact CE1-CG2 3.79Å; Y442-L465 HydrophobicContact CD1-CD1 3.65Å; Y442-L465 HydrophobicContact CD2-CD1 4.36Å; Y442-L465 HydrophobicContact CE1-CD1 4.47Å; Y442-L465 HydrophobicContact CG-CD1 3.59Å
443L92.5Very high89.9Confident0 Ų047.7 Ų47.70%024%0.242CC..Hα-helixtrans-62.1-35.3176.5-68176.2000112.5W270 I276 F283 L284 L439 T441 L446 S447 V462W270-L443 HydrophobicContact CH2-CB 4.02Å; W270-L443 HydrophobicContact CH2-CD2 3.63Å; W270-L443 HydrophobicContact CH2-CG 4.35Å; W270-L443 HydrophobicContact CZ2-CB 4.45Å; W270-L443 HydrophobicContact CZ2-CD2 4.37Å; W270-L443 HydrophobicContact CZ3-CD2 3.71Å; I276-L443 HydrophobicContact CD1-CB 3.54Å; I276-L443 HydrophobicContact CG1-CB 4.35Å; F283-L443 HydrophobicContact CE1-CD1 4.49Å; F283-L443 HydrophobicContact CE1-CD2 3.99Å; F283-L443 HydrophobicContact CZ-CD2 4.19Å; L284-L443 HydrophobicContact CD2-CD1 4.07Å; L439-L443 HydrophobicContact CD1-CD1 4.31Å; L439-L443 HydrophobicContact CD1-CG 4.35Å; L439-L443 HydrophobicContact CG-CD1 4.2Å; L439-L443 WeakPolarHBondContact O-CG 3.49Å; L439-L443 PolarHBondContact O-N 3.34Å; T441-L443 PolarHBondContact O-N 3.3Å; L443-L446 HydrophobicContact CD2-CD1 4.36Å; L443-L446 PolarHBondContact O-N 3.42Å; L443-S447 PolarHBondContact O-N 3.22Å; L443-V462 HydrophobicContact CD2-CG2 4.28Å
444R91.7Very high89.4Confident32 Ų3249.3 Ų49.312%0.12126%0.259CS..Hα-helixtrans-67.8-37.9173.3-72.5175.7-166.1136-1.4112.4I276 I311 L312 N314 F440 T441 Y442 L446 S447 Q448I276-R444 HydrophobicContact CD1-CG 3.68Å; I311-R444 PolarHBondContact O-NH2 3.02Å; L312-R444 PolarHBondContact O-NH2 3.46Å; N314-R444 PolarHBondContact OD1-NH1 3.29Å; F440-R444 VanDerWaalsContact O-CG 3.26Å; F440-R444 WeakPolarHBondContact O-CG 3.23Å; F440-R444 PolarHBondContact O-N 2.93Å; T441-R444 PolarHBondContact O-N 3.47Å; Y442-R444 VanDerWaalsContact C-N 3.3Å; Y442-R444 PolarHBondContact O-N 3.3Å; R444-L446 VanDerWaalsContact C-N 3.31Å; R444-S447 PolarHBondContact O-N 3.24Å; R444-S447 PolarHBondContact O-OG 3.46Å; R444-Q448 WeakPolarHBondContact O-CB 3.36Å; R444-Q448 VanDerWaalsContact O-CG 3.23Å; R444-Q448 WeakPolarHBondContact O-CG 3.47Å; R444-Q448 PolarHBondContact O-N 2.92Å
445Y91.5Very high89.2Confident77 Ų7752 Ų5230%0.30227%0.269SS..Hα-helixtrans-66.9-35.1175.5-65-22.5000112.1T441 Y442 G449 L450T441-Y445 HydrophobicContact CG2-CD2 4.2Å; T441-Y445 HydrophobicContact CG2-CE1 4.12Å; T441-Y445 HydrophobicContact CG2-CE2 3.53Å; T441-Y445 VanDerWaalsContact CG2-CZ 3.48Å; T441-Y445 PolarHBondContact O-N 2.88Å; Y442-Y445 PolarHBondContact O-N 2.94Å; Y442-Y445 VanDerWaalsContact O-N 3.14Å; Y445-G449 PolarHBondContact O-N 2.82Å; Y445-L450 HydrophobicContact CD1-CD1 3.89Å; Y445-L450 HydrophobicContact CE1-CD1 4.46Å; Y445-L450 PolarHBondContact O-N 3.5Å; Y445-L450 VanDerWaalsContact O-N 3.11Å
446L90.7Very high88.9Confident7 Ų757.3 Ų57.34%0.03729%0.288CS..Hα-helixtrans-63.8-45.7170.8-73174000111.6F267 W270 Y274 Y442 L443 R444 Q448 G449 L451F267-L446 HydrophobicContact CE2-CD1 4.33Å; F267-L446 HydrophobicContact CZ-CD1 4.17Å; W270-L446 HydrophobicContact CZ3-CD1 4.35Å; Y274-L446 WeakPolarHBondContact CE1-O 3.42Å; Y442-L446 HydrophobicContact CD1-CD1 3.95Å; Y442-L446 HydrophobicContact CD1-CG 4.49Å; Y442-L446 HydrophobicContact CE1-CD1 3.46Å; Y442-L446 VanDerWaalsContact CE1-CD1 3.46Å; Y442-L446 HydrophobicContact CE1-CG 4.08Å; Y442-L446 PolarHBondContact O-N 3.42Å; L443-L446 HydrophobicContact CD2-CD1 4.36Å; L443-L446 PolarHBondContact O-N 3.42Å; R444-L446 VanDerWaalsContact C-N 3.31Å; L446-Q448 VanDerWaalsContact C-N 3.31Å; L446-Q448 PolarHBondContact O-N 2.9Å; L446-G449 PolarHBondContact O-N 3.29Å; L446-G449 VanDerWaalsContact O-N 3.15Å; L446-L451 HydrophobicContact CD2-CB 4Å; L446-L451 HydrophobicContact CD2-CD1 3.97Å; L446-L451 HydrophobicContact CG-CD1 4.03Å
447S87.5Confident88.7Confident41 Ų4161.4 Ų61.429%0.28731%0.31SS..Hα-helixtrans-68.3-28.1-179.968.50000114.1Y274 L443 R444 G449Y274-S447 VanDerWaalsContact O-CB 3.27Å; Y274-S447 WeakPolarHBondContact O-CB 3.39Å; L443-S447 PolarHBondContact O-N 3.22Å; R444-S447 PolarHBondContact O-N 3.24Å; R444-S447 PolarHBondContact O-OG 3.46Å; S447-G449 VanDerWaalsContact C-N 3.28Å
448Q87.7Confident88.5Confident126 Ų12660.2 Ų60.259%0.58930%0.302SS*.THydrogen-bonded Turntrans-80.7-6.4174.8-69.2170.12.400113.4R444 L446 L450R444-Q448 WeakPolarHBondContact O-CB 3.36Å; R444-Q448 VanDerWaalsContact O-CG 3.23Å; R444-Q448 WeakPolarHBondContact O-CG 3.47Å; R444-Q448 PolarHBondContact O-N 2.92Å; L446-Q448 VanDerWaalsContact C-N 3.31Å; L446-Q448 PolarHBondContact O-N 2.9Å; Q448-L450 VanDerWaalsContact C-N 3.25Å; Q448-L450 HydrophobicContact CB-CD1 4.08Å; Q448-L450 HydrophobicContact CB-CG 4.04Å; Q448-L450 PolarHBondContact O-N 3.44Å; Q448-L450 VanDerWaalsContact OE1-CD1 3.25Å
449G84.2Confident88.4Confident54 Ų5456.6 Ų56.656%0.55728%0.282SS*.THydrogen-bonded Turntrans70.917.2-177.900000114.4Y445 L446 S447 L451Y445-G449 PolarHBondContact O-N 2.82Å; L446-G449 PolarHBondContact O-N 3.29Å; L446-G449 VanDerWaalsContact O-N 3.15Å; S447-G449 VanDerWaalsContact C-N 3.28Å; G449-L451 PolarHBondContact O-N 3.23Å
450L81.8Confident88.3Confident95 Ų9557.1 Ų57.150%0.49729%0.285SS..  trans-72.9-19.4179.2-69.3170.1000112.6Y445 Q448Y445-L450 HydrophobicContact CD1-CD1 3.89Å; Y445-L450 HydrophobicContact CE1-CD1 4.46Å; Y445-L450 PolarHBondContact O-N 3.5Å; Y445-L450 VanDerWaalsContact O-N 3.11Å; Q448-L450 VanDerWaalsContact C-N 3.25Å; Q448-L450 HydrophobicContact CB-CD1 4.08Å; Q448-L450 HydrophobicContact CB-CG 4.04Å; Q448-L450 PolarHBondContact O-N 3.44Å; Q448-L450 VanDerWaalsContact OE1-CD1 3.25Å
451L80.6Confident88.2Confident43 Ų4359.9 Ų59.923%0.22530%0.299CS..  trans-109.4116-177.2-69.1168.5000110.7Y442 L446 G449 H453Y442-L451 HydrophobicContact CD2-CD1 3.74Å; Y442-L451 HydrophobicContact CE2-CD1 3.4Å; Y442-L451 VanDerWaalsContact CE2-CD1 3.4Å; L446-L451 HydrophobicContact CD2-CB 4Å; L446-L451 HydrophobicContact CD2-CD1 3.97Å; L446-L451 HydrophobicContact CG-CD1 4.03Å; G449-L451 PolarHBondContact O-N 3.23Å; L451-H453 VanDerWaalsContact C-N 3.34Å; L451-H453 PolarHBondContact O-N 3.27Å
452R75.6Confident88.2Confident247 Ų24758.7 Ų58.793%0.93229%0.291SS*.  trans-93.650.5179.9-62.8-172.6178.9-164.61.2112.8
453H81.5Confident88.2Confident87 Ų8759.1 Ų59.140%0.40330%0.297SS..  trans-99.1150-179-65.6109.8000112.3R271 L451 D457 S458R271-H453 PolarHBondContact NH1-O 3.44Å; R271-H453 PolarHBondContact NH2-O 3.2Å; L451-H453 VanDerWaalsContact C-N 3.34Å; L451-H453 PolarHBondContact O-N 3.27Å; H453-D457 HydrophobicContact CB-CB 4.12Å; H453-S458 WeakPolarHBondContact CB-OG 3.27Å; H453-S458 PolarHBondContact O-OG 2.88Å
454G85.4Confident88.2Confident34 Ų3462.5 Ų62.535%0.35131%0.311SS..  trans-59.8165.3169.500000112R271 Y456 D457 S458R271-G454 PolarHBondContact NH1-O 3.46Å; G454-Y456 VanDerWaalsContact C-N 3.26Å; G454-Y456 PolarHBondContact O-N 3.27Å; G454-D457 PolarHBondContact N-OD2 3.17Å; G454-D457 PolarHBondContact O-N 2.94Å; G454-S458 VanDerWaalsContact O-CB 3.31Å; G454-S458 WeakPolarHBondContact O-CB 3.41Å; G454-S458 PolarHBondContact O-N 2.96Å; G454-S458 PolarHBondContact O-OG 3.38Å
455I87.9Confident88.3Confident79 Ų7961.7 Ų61.741%0.40531%0.309SS..Hα-helixtrans-60.6-43.8179-58.1173.1000110F267 A268 Y459F267-I455 HydrophobicContact CD1-CG2 4.18Å; F267-I455 HydrophobicContact CE1-CG2 4.19Å; A268-I455 HydrophobicContact CB-CG2 4.38Å; I455-Y459 WeakPolarHBondContact O-CB 3.36Å; I455-Y459 PolarHBondContact O-N 2.98Å
456Y89.3Confident88.4Confident118 Ų11859.7 Ų59.746%0.46330%0.301SS..Hα-helixtrans-58.5-57.9176.4-175.1-91.1000112.2I259 G454 S458 Y459 V460I259-Y456 HydrophobicContact CD1-CD2 3.63Å; I259-Y456 HydrophobicContact CD1-CE2 3.16Å; I259-Y456 HydrophobicContact CD1-CG 4.49Å; I259-Y456 HydrophobicContact CG1-CE2 4.33Å; G454-Y456 VanDerWaalsContact C-N 3.26Å; G454-Y456 PolarHBondContact O-N 3.27Å; Y456-S458 VanDerWaalsContact C-N 3.28Å; Y456-S458 PolarHBondContact O-N 3.27Å; Y456-Y459 WeakPolarHBondContact O-CB 3.26Å; Y456-Y459 PolarHBondContact O-N 2.98Å; Y456-V460 HydrophobicContact CD1-CG2 4.03Å; Y456-V460 HydrophobicContact CE1-CG2 3.66Å; Y456-V460 WeakPolarHBondContact O-CG2 2.95Å; Y456-V460 PolarHBondContact O-N 3.19Å
457D89.6Confident88.6Confident87 Ų8765.3 Ų65.347%0.46532%0.322SS..Hα-helixtrans-59.9-40.9-177.6-52.4-41000111.9H453 G454 Y459 V460 E461H453-D457 HydrophobicContact CB-CB 4.12Å; G454-D457 PolarHBondContact N-OD2 3.17Å; G454-D457 PolarHBondContact O-N 2.94Å; D457-Y459 VanDerWaalsContact C-N 3.28Å; D457-Y459 PolarHBondContact O-N 2.94Å; D457-V460 PolarHBondContact O-N 2.96Å; D457-E461 PolarHBondContact O-N 3.3Å; D457-E461 VanDerWaalsContact O-N 3.13Å
458S91.5Very high88.9Confident0 Ų065.7 Ų65.70%032%0.321CS..Hα-helixtrans-61.3-41.8177.9-56.10000111.1Y442 H453 G454 Y456 E461 V462Y442-S458 WeakPolarHBondContact OH-CA 3.31Å; Y442-S458 PolarHBondContact OH-O 3.45Å; H453-S458 WeakPolarHBondContact CB-OG 3.27Å; H453-S458 PolarHBondContact O-OG 2.88Å; G454-S458 VanDerWaalsContact O-CB 3.31Å; G454-S458 WeakPolarHBondContact O-CB 3.41Å; G454-S458 PolarHBondContact O-N 2.96Å; G454-S458 PolarHBondContact O-OG 3.38Å; Y456-S458 VanDerWaalsContact C-N 3.28Å; Y456-S458 PolarHBondContact O-N 3.27Å; S458-E461 PolarHBondContact O-N 3.07Å; S458-V462 WeakPolarHBondContact O-CG2 3.38Å; S458-V462 PolarHBondContact O-N 2.87Å; S458-V462 VanDerWaalsContact O-N 3.17Å
459Y93.1Very high89.2Confident7 Ų759.7 Ų59.73%0.02729%0.293CS..Hα-helixtrans-72.3-38.9179.7-173.5-101.2000112.6I259 C263 H264 F267 I455 Y456 D457 E461 V462 V463I259-Y459 HydrophobicContact CD1-CD1 4.06Å; I259-Y459 HydrophobicContact CG1-CD1 4.38Å; I259-Y459 HydrophobicContact CG1-CE1 4.47Å; I259-Y459 HydrophobicContact CG2-CD1 3.75Å; I259-Y459 HydrophobicContact CG2-CE1 3.46Å; I259-Y459 VanDerWaalsContact CG2-CE1 3.46Å; C263-Y459 WeakPolarHBondContact CB-OH 3.25Å; H264-Y459 HydrophobicContact CB-CE1 4.37Å; H264-Y459 AromaticContact CD2-CD1 3.9Å; H264-Y459 AromaticContact CD2-CG 3.92Å; F267-Y459 HydrophobicContact CB-CD2 3.46Å; F267-Y459 VanDerWaalsContact CB-CD2 3.46Å; F267-Y459 HydrophobicContact CB-CE2 3.68Å; F267-Y459 AromaticContact CD1-CD2 3.52Å; F267-Y459 HydrophobicContact CD1-CD2 3.52Å; F267-Y459 HydrophobicContact CD1-CG 4.01Å; F267-Y459 HydrophobicContact CD2-CD2 4.07Å; F267-Y459 HydrophobicContact CE1-CD2 4.23Å; F267-Y459 HydrophobicContact CE1-CG 4.49Å; F267-Y459 AromaticContact CG-CD2 3.41Å; F267-Y459 HydrophobicContact CG-CD2 3.41Å; F267-Y459 VanDerWaalsContact CG-CD2 3.41Å; F267-Y459 HydrophobicContact CG-CE2 4.11Å; F267-Y459 HydrophobicContact CG-CG 4.34Å; I455-Y459 WeakPolarHBondContact O-CB 3.36Å; I455-Y459 PolarHBondContact O-N 2.98Å; Y456-Y459 WeakPolarHBondContact O-CB 3.26Å; Y456-Y459 PolarHBondContact O-N 2.98Å; D457-Y459 VanDerWaalsContact C-N 3.28Å; D457-Y459 PolarHBondContact O-N 2.94Å; Y459-E461 PolarHBondContact O-N 3.3Å; Y459-V462 CarbonylContact O-C 3.58Å; Y459-V462 WeakPolarHBondContact O-CA 3.44Å; Y459-V462 WeakPolarHBondContact O-CB 3.37Å; Y459-V462 PolarHBondContact O-N 3.24Å; Y459-V463 HydrophobicContact CD1-CG2 3.87Å; Y459-V463 HydrophobicContact CE1-CG2 3.42Å; Y459-V463 VanDerWaalsContact CE1-CG2 3.42Å; Y459-V463 WeakPolarHBondContact O-CG2 3.42Å; Y459-V463 PolarHBondContact O-N 3.4Å
460V91.8Very high89.6Confident10 Ų1058.8 Ų58.86%0.06128%0.28CS..Hα-helixtrans-56.7-40173.6170.10000110.6I257 I259 Y456 D457 V463 K464I257-V460 HydrophobicContact CD1-CG1 4.09Å; I259-V460 HydrophobicContact CD1-CG2 3.86Å; Y456-V460 HydrophobicContact CD1-CG2 4.03Å; Y456-V460 HydrophobicContact CE1-CG2 3.66Å; Y456-V460 WeakPolarHBondContact O-CG2 2.95Å; Y456-V460 PolarHBondContact O-N 3.19Å; D457-V460 PolarHBondContact O-N 2.96Å; V460-V463 WeakPolarHBondContact O-CB 3.19Å; V460-V463 PolarHBondContact O-N 3.05Å; V460-K464 WeakPolarHBondContact O-CG 2.87Å; V460-K464 PolarHBondContact O-N 3.39Å
461E91.9Very high90.1Very high62 Ų6256.4 Ų56.429%0.2927%0.268SS..Hα-helixtrans-67.6-40175.2-161.856-141.200112.4Y442 D457 S458 Y459 V463 K464 L465Y442-E461 HydrophobicContact CD2-CG 4.26Å; Y442-E461 HydrophobicContact CE1-CB 4.03Å; Y442-E461 HydrophobicContact CE1-CG 4.19Å; Y442-E461 HydrophobicContact CE2-CB 4.18Å; Y442-E461 HydrophobicContact CE2-CG 3.69Å; Y442-E461 WeakPolarHBondContact OH-CB 3.39Å; D457-E461 PolarHBondContact O-N 3.3Å; D457-E461 VanDerWaalsContact O-N 3.13Å; S458-E461 PolarHBondContact O-N 3.07Å; Y459-E461 PolarHBondContact O-N 3.3Å; E461-V463 VanDerWaalsContact C-N 3.28Å; E461-V463 PolarHBondContact O-N 3.06Å; E461-K464 WeakPolarHBondContact O-CB 3.32Å; E461-K464 PolarHBondContact O-N 3.32Å; E461-K464 WeakPolarHBondContact OE2-CD 3.2Å; E461-K464 IonicContact OE2-NZ 2.66Å; E461-K464 PolarHBondContact OE2-NZ 3.16Å; E461-L465 WeakPolarHBondContact O-CG 3.43Å; E461-L465 PolarHBondContact O-N 3.13Å
462V93.4Very high90.7Very high0 Ų054.6 Ų54.60%026%0.259CS..Hα-helixtrans-56.7-43.8170.2174.20000110.8F267 F283 L439 Y442 L443 S458 Y459 K464 L465 R466F267-V462 HydrophobicContact CE2-CG2 3.92Å; F267-V462 HydrophobicContact CZ-CG2 4.35Å; F283-V462 HydrophobicContact CE2-CG1 4.21Å; F283-V462 HydrophobicContact CZ-CG1 4.01Å; L439-V462 HydrophobicContact CD1-CG1 4.29Å; Y442-V462 HydrophobicContact CD1-CG2 4.12Å; Y442-V462 HydrophobicContact CE1-CG2 3.79Å; L443-V462 HydrophobicContact CD2-CG2 4.28Å; S458-V462 WeakPolarHBondContact O-CG2 3.38Å; S458-V462 PolarHBondContact O-N 2.87Å; S458-V462 VanDerWaalsContact O-N 3.17Å; Y459-V462 CarbonylContact O-C 3.58Å; Y459-V462 WeakPolarHBondContact O-CA 3.44Å; Y459-V462 WeakPolarHBondContact O-CB 3.37Å; Y459-V462 PolarHBondContact O-N 3.24Å; V462-K464 VanDerWaalsContact C-N 3.35Å; V462-K464 PolarHBondContact O-N 3.47Å; V462-L465 PolarHBondContact O-N 2.93Å; V462-R466 HydrophobicContact CG1-CG 4.21Å; V462-R466 VanDerWaalsContact O-CG 3.31Å; V462-R466 WeakPolarHBondContact O-CG 3.5Å; V462-R466 PolarHBondContact O-N 2.61Å
463V93.1Very high91.5Very high36 Ų3647.9 Ų47.922%0.21823%0.233CC..Hα-helixtrans-60.9-42.7178.1172.60000111.3Y459 V460 E461 L465 R466 R467Y459-V463 HydrophobicContact CD1-CG2 3.87Å; Y459-V463 HydrophobicContact CE1-CG2 3.42Å; Y459-V463 VanDerWaalsContact CE1-CG2 3.42Å; Y459-V463 WeakPolarHBondContact O-CG2 3.42Å; Y459-V463 PolarHBondContact O-N 3.4Å; V460-V463 WeakPolarHBondContact O-CB 3.19Å; V460-V463 PolarHBondContact O-N 3.05Å; E461-V463 VanDerWaalsContact C-N 3.28Å; E461-V463 PolarHBondContact O-N 3.06Å; V463-L465 PolarHBondContact O-N 3.33Å; V463-R466 PolarHBondContact O-N 3.44Å; V463-R467 WeakPolarHBondContact O-CB 3.44Å; V463-R467 PolarHBondContact O-N 2.71Å
464K92.7Very high91.9Very high70 Ų7050 Ų5030%0.30425%0.247SC..Hα-helixtrans-60.6-43.9174.2-68.6176.6-162.1159.10112F253 V460 E461 V462 R467 N468F253-K464 HydrophobicContact CD1-CD 4.32Å; F253-K464 HydrophobicContact CD1-CG 3.75Å; F253-K464 HydrophobicContact CE1-CG 3.58Å; V460-K464 WeakPolarHBondContact O-CG 2.87Å; V460-K464 PolarHBondContact O-N 3.39Å; E461-K464 WeakPolarHBondContact O-CB 3.32Å; E461-K464 PolarHBondContact O-N 3.32Å; E461-K464 WeakPolarHBondContact OE2-CD 3.2Å; E461-K464 IonicContact OE2-NZ 2.66Å; E461-K464 PolarHBondContact OE2-NZ 3.16Å; V462-K464 VanDerWaalsContact C-N 3.35Å; V462-K464 PolarHBondContact O-N 3.47Å; K464-R467 WeakPolarHBondContact O-CB 3.46Å; K464-R467 PolarHBondContact O-N 3Å; K464-N468 VanDerWaalsContact O-CG 3.31Å; K464-N468 PolarHBondContact O-N 3.36Å
465L94Very high91.9Very high16 Ų1650.1 Ų50.18%0.08425%0.249CC..Hα-helixtrans-65.8-40.9178.6-68.1165000111.7D438 L439 Y442 E461 V462 V463 N468 I469D438-L465 HydrophobicContact CB-CD2 3.85Å; L439-L465 HydrophobicContact CB-CB 4.34Å; L439-L465 HydrophobicContact CD1-CB 3.9Å; L439-L465 HydrophobicContact CD1-CD1 4.25Å; Y442-L465 HydrophobicContact CD1-CD1 3.65Å; Y442-L465 HydrophobicContact CD2-CD1 4.36Å; Y442-L465 HydrophobicContact CE1-CD1 4.47Å; Y442-L465 HydrophobicContact CG-CD1 3.59Å; E461-L465 WeakPolarHBondContact O-CG 3.43Å; E461-L465 PolarHBondContact O-N 3.13Å; V462-L465 PolarHBondContact O-N 2.93Å; V463-L465 PolarHBondContact O-N 3.33Å; L465-N468 WeakPolarHBondContact O-CB 3.34Å; L465-N468 PolarHBondContact O-N 3.15Å; L465-N468 VanDerWaalsContact O-N 3.16Å; L465-I469 WeakPolarHBondContact O-CG1 3.48Å; L465-I469 PolarHBondContact O-N 2.94Å
466R94.2Very high91.7Very high34 Ų3450 Ų5013%0.12825%0.251CS..Hα-helixtrans-62.1-43.4173.4-68.6-176.776-1680.2111.8E290 D291 V462 V463 N468 I469 A470E290-R466 IonicContact OE2-CZ 3.18Å; E290-R466 IonicContact OE2-NH2 2.66Å; E290-R466 PolarHBondContact OE2-NH2 3.15Å; D291-R466 IonicContact OD1-NH2 3.39Å; D291-R466 IonicContact OD2-CZ 2.87Å; D291-R466 VanDerWaalsContact OD2-CZ 3.26Å; D291-R466 IonicContact OD2-NE 3.5Å; D291-R466 PolarHBondContact OD2-NE 3.3Å; D291-R466 IonicContact OD2-NH2 3.76Å; D291-R466 PolarHBondContact OD2-NH2 3.43Å; V462-R466 HydrophobicContact CG1-CG 4.21Å; V462-R466 VanDerWaalsContact O-CG 3.31Å; V462-R466 WeakPolarHBondContact O-CG 3.5Å; V462-R466 PolarHBondContact O-N 2.61Å; V463-R466 PolarHBondContact O-N 3.44Å; R466-N468 VanDerWaalsContact C-N 3.29Å; R466-N468 PolarHBondContact O-N 3.22Å; R466-I469 PolarHBondContact O-N 3.01Å; R466-A470 PolarHBondContact O-N 2.85Å
467R93.1Very high90.9Very high126 Ų12651.6 Ų51.648%0.47526%0.261SS..Hα-helixtrans-55.9-45.2171.4173.9-173.4171.9-165.2-3.2111F253 V463 K464 I469 A470 L471F253-R467 VanDerWaalsContact CD2-NH1 3.33Å; V463-R467 WeakPolarHBondContact O-CB 3.44Å; V463-R467 PolarHBondContact O-N 2.71Å; K464-R467 WeakPolarHBondContact O-CB 3.46Å; K464-R467 PolarHBondContact O-N 3Å; R467-I469 VanDerWaalsContact C-N 3.32Å; R467-I469 PolarHBondContact O-N 3.25Å; R467-A470 PolarHBondContact O-N 3.18Å; R467-L471 HydrophobicContact CG-CD1 4.07Å; R467-L471 HydrophobicContact CG-CG 4.44Å; R467-L471 WeakPolarHBondContact O-CG 3.38Å; R467-L471 PolarHBondContact O-N 3.18Å
468N93.6Very high89.3Confident48 Ų4850 Ų5026%0.25726%0.256SS..Hα-helixtrans-63-38.2180-71.7-16.3000112.5K464 L465 R466 L471 A472 C478K464-N468 VanDerWaalsContact O-CG 3.31Å; K464-N468 PolarHBondContact O-N 3.36Å; L465-N468 WeakPolarHBondContact O-CB 3.34Å; L465-N468 PolarHBondContact O-N 3.15Å; L465-N468 VanDerWaalsContact O-N 3.16Å; R466-N468 VanDerWaalsContact C-N 3.29Å; R466-N468 PolarHBondContact O-N 3.22Å; N468-L471 PolarHBondContact O-N 3.26Å; N468-A472 VanDerWaalsContact O-CB 3.31Å; N468-A472 WeakPolarHBondContact O-CB 3.44Å; N468-A472 PolarHBondContact O-N 3.12Å; N468-C478 WeakPolarHBondContact CA-SG 3.49Å; N468-C478 HydrophobicContact CB-CB 4.19Å; N468-C478 PolarHBondContact O-SG 3.01Å; N468-C478 VanDerWaalsContact O-SG 3.32Å; N468-C478 PolarHBondContact OD1-SG 3.32Å
469I94.1Very high87.3Confident1 Ų153.1 Ų53.11%0.00529%0.288CS..Hα-helixtrans-64.3-44.5174.4-66.4166.6000110.9D291 C295 A435 V436 L439 L465 R466 R467 L471 A472 R473D291-I469 HydrophobicContact CB-CD1 4.45Å; D291-I469 HydrophobicContact CB-CG2 3.93Å; C295-I469 HydrophobicContact CB-CG2 3.57Å; A435-I469 HydrophobicContact CB-CG1 3.92Å; A435-I469 WeakPolarHBondContact O-CG1 3.37Å; V436-I469 HydrophobicContact CG2-CD1 4.35Å; V436-I469 HydrophobicContact CG2-CG1 4.27Å; V436-I469 HydrophobicContact CG2-CG2 4.32Å; L439-I469 HydrophobicContact CB-CD1 3.92Å; L439-I469 HydrophobicContact CD2-CD1 3.57Å; L439-I469 HydrophobicContact CG-CD1 4.36Å; L465-I469 WeakPolarHBondContact O-CG1 3.48Å; L465-I469 PolarHBondContact O-N 2.94Å; R466-I469 PolarHBondContact O-N 3.01Å; R467-I469 VanDerWaalsContact C-N 3.32Å; R467-I469 PolarHBondContact O-N 3.25Å; I469-L471 VanDerWaalsContact C-N 3.35Å; I469-L471 PolarHBondContact O-N 3.4Å; I469-A472 PolarHBondContact O-N 3.41Å; I469-R473 WeakPolarHBondContact O-CB 3.37Å; I469-R473 PolarHBondContact O-N 3.17Å
470A93.3Very high84.5Confident35 Ų3558.6 Ų58.629%0.28933%0.327SS..Hα-helixtrans-60.9-42.7177.900000112.2R466 R467 R473 L474R466-A470 PolarHBondContact O-N 2.85Å; R467-A470 PolarHBondContact O-N 3.18Å; A470-R473 WeakPolarHBondContact O-CB 3.45Å; A470-R473 PolarHBondContact O-N 3.27Å; A470-L474 WeakPolarHBondContact O-CG 3.44Å; A470-L474 PolarHBondContact O-N 3.16Å
471L92.8Very high81.7Confident45 Ų4571.1 Ų71.124%0.23639%0.385CS..Hα-helixtrans-65.6-44.8175.4-70.7175.5000112.1R467 N468 I469 R473 L474 G475 V476 C478R467-L471 HydrophobicContact CG-CD1 4.07Å; R467-L471 HydrophobicContact CG-CG 4.44Å; R467-L471 WeakPolarHBondContact O-CG 3.38Å; R467-L471 PolarHBondContact O-N 3.18Å; N468-L471 PolarHBondContact O-N 3.26Å; I469-L471 VanDerWaalsContact C-N 3.35Å; I469-L471 PolarHBondContact O-N 3.4Å; L471-R473 VanDerWaalsContact C-N 3.29Å; L471-R473 PolarHBondContact O-N 3.41Å; L471-L474 CarbonylContact O-C 3.59Å; L471-L474 PolarHBondContact O-N 3.39Å; L471-G475 PolarHBondContact O-N 3.23Å; L471-V476 CarbonylContact C-O 3.49Å; L471-V476 HydrophobicContact CB-CB 4.25Å; L471-V476 HydrophobicContact CD2-CB 4.31Å; L471-V476 HydrophobicContact CD2-CG1 4.37Å; L471-V476 PolarHBondContact O-N 3.31Å; L471-C478 WeakPolarHBondContact CB-SG 3.46Å
472A92.7Very high81.1Confident5 Ų571.6 Ų71.64%0.04139%0.39CS..Hα-helixtrans-62.3-36.8177.900000112.1R432 A435 N468 I469 L474 G475R432-A472 HydrophobicContact CG-CB 4.3Å; R432-A472 VanDerWaalsContact CG-O 3.3Å; R432-A472 WeakPolarHBondContact CG-O 3.44Å; A435-A472 HydrophobicContact CB-CB 3.9Å; N468-A472 VanDerWaalsContact O-CB 3.31Å; N468-A472 WeakPolarHBondContact O-CB 3.44Å; N468-A472 PolarHBondContact O-N 3.12Å; I469-A472 PolarHBondContact O-N 3.41Å; A472-L474 VanDerWaalsContact C-N 3.25Å; A472-L474 PolarHBondContact O-N 3.45Å; A472-G475 PolarHBondContact O-N 3.4Å
473R91.4Very high80.5Confident105 Ų10575.4 Ų75.440%0.39641%0.41SS..Hα-helixtrans-59-36.8173.9-174.4177.272.8-177.83.4112.1E290 I469 A470 L471 G475E290-R473 PolarHBondContact O-NH1 3.28Å; I469-R473 WeakPolarHBondContact O-CB 3.37Å; I469-R473 PolarHBondContact O-N 3.17Å; A470-R473 WeakPolarHBondContact O-CB 3.45Å; A470-R473 PolarHBondContact O-N 3.27Å; L471-R473 VanDerWaalsContact C-N 3.29Å; L471-R473 PolarHBondContact O-N 3.41Å; R473-G475 VanDerWaalsContact C-N 3.3Å
474L91Very high79.8Confident131 Ų13177.6 Ų77.669%0.68642%0.421SS*.THydrogen-bonded Turntrans-84.3-1.8177.7-60.9175.4000113.4A470 L471 A472 V476A470-L474 WeakPolarHBondContact O-CG 3.44Å; A470-L474 PolarHBondContact O-N 3.16Å; L471-L474 CarbonylContact O-C 3.59Å; L471-L474 PolarHBondContact O-N 3.39Å; A472-L474 VanDerWaalsContact C-N 3.25Å; A472-L474 PolarHBondContact O-N 3.45Å; L474-V476 VanDerWaalsContact C-N 3.33Å; L474-V476 HydrophobicContact CB-CG2 4.44Å
475G85.6Confident79Confident38 Ų3878 Ų7839%0.39243%0.428SS..THydrogen-bonded Turntrans80.911.3-179.300000114.9F428 L471 A472 R473F428-G475 VanDerWaalsContact CE2-CA 3.47Å; L471-G475 PolarHBondContact O-N 3.23Å; A472-G475 PolarHBondContact O-N 3.4Å; R473-G475 VanDerWaalsContact C-N 3.3Å
476V84Confident78.1Confident76 Ų7681.9 Ų81.946%0.46145%0.449SS..PPolyproline II helixtrans-81.9129.7172.4-175.10000108L471 L474L471-V476 CarbonylContact C-O 3.49Å; L471-V476 HydrophobicContact CB-CB 4.25Å; L471-V476 HydrophobicContact CD2-CB 4.31Å; L471-V476 HydrophobicContact CD2-CG1 4.37Å; L471-V476 PolarHBondContact O-N 3.31Å; L474-V476 VanDerWaalsContact C-N 3.33Å; L474-V476 HydrophobicContact CB-CG2 4.44Å
477K71Confident77Confident152 Ų15285.1 Ų85.166%0.66147%0.471SS*.PPolyproline II helixtrans-72.4128.3174.3-72.2-175.3176.3179.90109.1
478C56.1Low75.9Confident54 Ų5482.1 Ų82.137%0.36547%0.47SS..PPolyproline II helixtrans-85.3116.1167.2-60.30000108.5N468 L471N468-C478 WeakPolarHBondContact CA-SG 3.49Å; N468-C478 HydrophobicContact CB-CB 4.19Å; N468-C478 PolarHBondContact O-SG 3.01Å; N468-C478 VanDerWaalsContact O-SG 3.32Å; N468-C478 PolarHBondContact OD1-SG 3.32Å; L471-C478 WeakPolarHBondContact CB-SG 3.46Å
479G51Low74.5Confident65 Ų6584.8 Ų84.867%0.6749%0.487SS*.SBendtrans118.7110.417100000115.4
480S34.7Very low72.9Confident121 Ų12191.8 Ų91.885%0.84653%0.527SS*.  trans56.788.4167.3680000119
481E31Very low71Confident274 Ų27496.9 Ų96.9100%1.2855%0.549SS*.  -100.70117.9-82.4-170.2156.900108.2

Retrieved 481 of 481 residues in 191.6 ms (Link to these results)