Z4YI11_DANRE Loading...

PHD finger protein 10

AlphaFold DB , UniProt , Accession Z4YI11, Species DANRE (Danio rerio, Zebrafish), Gene phf10, Length 490 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
1M38.7Very low33Very low243 Ų243144 Ų144100%1.19784%0.843SS**  083.10-57.1-156.5-174.600106.1
2A28.8Very low32.7Very low105 Ų105141.8 Ų141.887%0.86884%0.841SS**  53.6120.582.500000111
3A30.8Very low32.5Very low90 Ų90143.1 Ų143.174%0.74484%0.841SS**  cis-149.9138.11800000108.9
4V32.7Very low33Very low129 Ų129141.4 Ų141.478%0.78284%0.836SS**  48115.481.3-1700000113.5
5L30.1Very low32.6Very low158 Ų158138.1 Ų138.183%0.82783%0.832SS**  178.8126122.4-88.9169000112
6S34.2Very low32.6Very low118 Ų118137.9 Ų137.983%0.82583%0.831SS**  trans-126144.5149.8-59.80000107.1
7P40.2Very low32.6Very low110 Ų110137.1 Ų137.171%0.71483%0.83SS**  -149.3167.9118.936.8-19.8000110.9
8R33.3Very low32.2Very low237 Ų237132.9 Ų132.989%0.89482%0.819SS**  cis-172.9172.6-4.1-110.3-175.8-177.6-156.61.9107.2
9P40.5Very low31.9Very low112 Ų112132.3 Ų132.373%0.72782%0.815SS**  trans-98.7174.8-166.239.9-35.1000113.9
10C26.6Very low31.6Very low129 Ų129134.9 Ų134.987%0.87282%0.817SS**  trans-144.8105156.554.90000111.5
11D27.3Very low31.3Very low153 Ų153133.5 Ų133.582%0.81881%0.814SS**  trans-72.4147.2153.9-84.7-50.9000109.6
12S29.4Very low30.8Very low117 Ų117129.4 Ų129.482%0.81880%0.795SS**  160.9109.1128.4-67.10000112.1
13N30.2Very low30.8Very low159 Ų159132.4 Ų132.485%0.8579%0.789SS**  trans-73.9164137.8-88.3-32.9000107.8
14P39.7Very low30.7Very low119 Ų119134.4 Ų134.477%0.77379%0.787SS**  cis-151.6-176.23540.3-17.3000117.7
15A26.8Very low30.5Very low93 Ų93133.9 Ų133.977%0.76978%0.78SS**  trans83.2131.7141.200000122.3
16T31.5Very low30.5Very low134 Ų134133.3 Ų133.382%0.82278%0.776SS**  trans-55.1165.1171.617.80000116.2
17P33.4Very low30.3Very low124 Ų124135.8 Ų135.881%0.80577%0.774SS**  -139.8147.79828.6-9.3000113.1
18G24.6Very low29.7Very low62 Ų62138.7 Ų138.764%0.63978%0.779SS**  77.9125.592.500000110.9
19T27.5Very low29.4Very low121 Ų121134.4 Ų134.474%0.74277%0.773SS**  178.5143.656.37.80000111.2
20Q26.3Very low28.7Very low184 Ų184133.5 Ų133.586%0.8677%0.769SS**  trans63.6153.8138.6-63.8170.45.900120.6
21S24.8Very low28.8Very low106 Ų106132.6 Ų132.674%0.74177%0.765SS**  cis172.9179.2-22.3-167.30000105.5
22I28Very low28.8Very low157 Ų157133.2 Ų133.281%0.80577%0.768SS**  trans92.8103-177-51.9159.5000111.2
23K28.8Very low28.7Very low169 Ų169130.3 Ų130.374%0.73576%0.756SS**  cis83.8138.936-141.2-164.6177.8-159.70114.9
24D27.7Very low28.7Very low132 Ų132128.2 Ų128.271%0.70675%0.754SS**  trans106.8138.8165.6-54.4-20.3000114.2
25D29.2Very low28.2Very low118 Ų118131.9 Ų131.963%0.63176%0.761SS**  cis178.7166.9-29.8-119.1-48.9000105.3
26I29.8Very low28.3Very low145 Ų145131.8 Ų131.874%0.74476%0.761SS**  trans93.299.2155.2-61.5143.2000121
27E29.6Very low28.6Very low170 Ų170130.9 Ų130.979%0.79476%0.757SS**  47.7132.2120.6-59.5-168.4132.200125.9
28E28.8Very low28.4Very low172 Ų172134.6 Ų134.680%0.80476%0.76SS**  trans45126132.7-58.3-130.9130.300121.9
29N25.9Very low28.7Very low147 Ų147143.8 Ų143.879%0.78678%0.776SS**  173.314991.2-161.719.4000112.5
30S27.1Very low28.8Very low92 Ų92149.4 Ų149.464%0.64378%0.783SS**  trans-39.2146.5171.2174.60000117.8
31S28.8Very low29Very low110 Ų110152.1 Ų152.177%0.76979%0.786SS**  166.1131.5106.143.10000116.1
32D27.3Very low29.4Very low166 Ų166155.3 Ų155.389%0.88879%0.791SS**  trans71.3121135.9-145.718.1000123.9
33G26.8Very low29.3Very low56 Ų56151.1 Ų151.158%0.57779%0.786SS**  91.9110.4111.400000121.4
34S30.4Very low29.4Very low115 Ų115149.6 Ų149.680%0.80480%0.797SS**  trans100.2108.8134.3-52.50000121.4
35Q29.2Very low29.4Very low196 Ų196147 Ų14792%0.91680%0.801SS**  trans58130.2132.7-62.5-171.73.400122.8
36A27.5Very low29.3Very low92 Ų92148.8 Ų148.876%0.7681%0.811SS**  trans-72.1164.9171.700000112.9
37P37.8Very low29.3Very low115 Ų115147 Ų14775%0.74781%0.812SS**  -154.3158.173.436.2-13.9000119.1
38K30.6Very low29.6Very low201 Ų201144.5 Ų144.587%0.87481%0.813SS**  trans47.5117.8146.9-66.5177.7180173.20120.8
39R29.8Very low29.7Very low256 Ų256148.1 Ų148.197%0.96682%0.819SS**  -165.4146.7125.2-110.2171.3173.4-154.5-2.2113.3
40R31.4Very low29.8Very low239 Ų239146.4 Ų146.490%0.90282%0.818SS**  trans-69.3141-175.4-59.1176179.5-152.8-0.9112.6
41R29.2Very low30Very low241 Ų241147.6 Ų147.691%0.90983%0.825SS**  trans-164.1152.6142.9-142175.3-172.9-1580.8112.1
42M32.6Very low30Very low172 Ų172150 Ų15085%0.84783%0.83SS**  trans-76.2156.3-174.2-26.6-61.5164.800112.7
43G27.6Very low30.3Very low69 Ų69148.3 Ų148.371%0.71183%0.826SS**  trans151.1105.9165.900000110.8
44S29.5Very low30.5Very low137 Ų137150.1 Ų150.196%0.95883%0.83SS**  71.2123.285.3-70.50000114.3
45G28.8Very low31Very low77 Ų77151.3 Ų151.379%0.79483%0.832SS**  trans153.162.6158.900000116
46D26.3Very low31.4Very low157 Ų157150.2 Ų150.284%0.8483%0.827SS**  trans-101.1121.7150.9-159.6-17.7000107.6S48D46-S48 PolarHBondContact O-N 3.37Å
47S31.2Very low31.6Very low108 Ų108154.7 Ų154.776%0.75583%0.832SS**  trans-92.497.4-170.7-67.40000109.2
48S34.8Very low31.9Very low117 Ų117157 Ų15782%0.81884%0.837SS**PPolyproline II helixtrans-91.7121.7163.7-66.80000109.6D46 S50D46-S48 PolarHBondContact O-N 3.37Å; S48-S50 PolarHBondContact O-N 3.13Å
49R31.7Very low32.1Very low247 Ų247149.8 Ų149.893%0.93282%0.82SS**PPolyproline II helixtrans-64.2120.2-175.4-61161.185.3-177.85.8109.5
50S28.4Very low33.2Very low111 Ų111144 Ų14478%0.77682%0.815SS**PPolyproline II helixtrans-73127.5170.150.40000110.2S48S48-S50 PolarHBondContact O-N 3.13Å
51C30.8Very low34.3Very low117 Ų117138.7 Ų138.779%0.79181%0.81SS**PPolyproline II helixtrans-97.2125.5155.449.40000108.3T53C51-T53 PolarHBondContact O-N 3.43Å
52D28.6Very low35.7Very low161 Ų161133.9 Ų133.986%0.86179%0.793SS**PPolyproline II helixtrans-56.2126.3178.9-68.6-65.7000111.6
53T33.8Very low37.5Very low130 Ų130127 Ų12780%0.79876%0.758SS**  trans-110.8113.5157.7-49.40000107.2C51 T55C51-T53 PolarHBondContact O-N 3.43Å; T53-T55 PolarHBondContact O-N 3.03Å
54S30.6Very low39.8Very low95 Ų95124.9 Ų124.966%0.66473%0.732SS**  trans-50.9125.2176.548.60000111.8H56S54-H56 PolarHBondContact O-N 3.43Å; S54-H56 VanDerWaalsContact O-N 3.13Å
55T42Very low42.1Very low140 Ų140118.6 Ų118.686%0.85969%0.688SS**  trans-44.9109.3166.2-46.20000111.1T53T53-T55 PolarHBondContact O-N 3.03Å
56H35.8Very low44.5Very low173 Ų173120.4 Ų120.480%0.80168%0.676SS**  trans-113.1131.4161.4-120.4-83000108.5S54S54-H56 PolarHBondContact O-N 3.43Å; S54-H56 VanDerWaalsContact O-N 3.13Å
57E33.3Very low47.1Very low185 Ų185116.5 Ų116.586%0.86466%0.655SS**  trans-55.2134.6-167.9-61.5-175.2130.600114G59E57-G59 PolarHBondContact O-N 2.54Å
58L43.6Very low49.7Very low163 Ų163111.3 Ų111.385%0.85362%0.619SS**  trans-81109.7-179.3-71.7163.3000110.9
59G33.8Very low52Low51 Ų51107.3 Ų107.353%0.52659%0.589SS.*  trans-94.2154.9159.600000111.8E57 T61E57-G59 PolarHBondContact O-N 2.54Å; G59-T61 PolarHBondContact O-N 2.74Å
60P53.9Low54.7Low133 Ų13398.5 Ų98.586%0.86456%0.559SS**SBendtrans-89.173.2-158.935.9-34.9000112.8
61T53.6Low57.5Low128 Ų12893.9 Ų93.979%0.78553%0.525SS*.  trans-172.657.215750.10000108.8G59 F63G59-T61 PolarHBondContact O-N 2.74Å; T61-F63 PolarHBondContact O-N 2.95Å
62Y59Low60.2Low141 Ų14190.5 Ų90.555%0.55350%0.496SS*.  trans-85.199.7172.2-175.2-102.5000108.6P64Y62-P64 HydrophobicContact CD1-CB 4.39Å; Y62-P64 HydrophobicContact CE1-CB 3.87Å; Y62-P64 WeakPolarHBondContact O-CD 3.19Å
63F69.8Low63Low28 Ų2885.2 Ų85.212%0.12346%0.464CS..  trans-85.3112167.3-169.8-91.2000108T61 N67 Q87 E90 Y91T61-F63 PolarHBondContact O-N 2.95Å; F63-N67 HydrophobicContact CD1-CB 4.08Å; F63-N67 HydrophobicContact CD2-CB 4.47Å; F63-N67 HydrophobicContact CE1-CB 3.35Å; F63-N67 HydrophobicContact CE2-CB 3.81Å; F63-N67 HydrophobicContact CZ-CB 3.2Å; F63-Q87 HydrophobicContact CZ-CB 4.24Å; F63-Q87 HydrophobicContact CZ-CG 4.28Å; F63-E90 HydrophobicContact CB-CG 4.02Å; F63-E90 HydrophobicContact CD2-CB 4.24Å; F63-E90 HydrophobicContact CD2-CG 3.74Å; F63-E90 HydrophobicContact CE2-CG 4.41Å; F63-E90 WeakPolarHBondContact CE2-OE2 3.48Å; F63-E90 HydrophobicContact CG-CB 4.37Å; F63-E90 HydrophobicContact CG-CG 4.05Å; F63-Y91 HydrophobicContact CD1-CD2 4.06Å; F63-Y91 HydrophobicContact CD1-CG 4.39Å; F63-Y91 WeakPolarHBondContact O-CD2 3.48Å
64P76.4Confident65.4Low23 Ų2381.7 Ų81.715%0.14944%0.444CS..  trans-70.4145.8-177.728.5-34.1000110.7Y62 E66 N67Y62-P64 HydrophobicContact CD1-CB 4.39Å; Y62-P64 HydrophobicContact CE1-CB 3.87Å; Y62-P64 WeakPolarHBondContact O-CD 3.19Å; P64-E66 HydrophobicContact CB-CG 3.84Å; P64-E66 HydrophobicContact CG-CG 3.83Å; P64-E66 WeakPolarHBondContact CG-OE1 3.44Å; P64-E66 PolarHBondContact O-N 2.85Å; P64-N67 WeakPolarHBondContact CG-ND2 3.47Å; P64-N67 PolarHBondContact O-N 3.45Å
65A78.8Confident67.5Low6 Ų680.5 Ų80.55%0.0543%0.434CS..G310 helixtrans-58.3-22179.700000113.1N67 L68 Y91 E154 Y155 I158A65-N67 PolarHBondContact O-N 3.44Å; A65-L68 PolarHBondContact O-N 3.25Å; A65-Y91 HydrophobicContact CB-CE2 3.64Å; A65-E154 HydrophobicContact CB-CB 4.32Å; A65-Y155 HydrophobicContact CB-CD2 4.44Å; A65-I158 HydrophobicContact CB-CG1 3.87Å
66E77.9Confident69.3Low115 Ų11579 Ų7954%0.53742%0.421SS..G310 helixtrans-64.5-21.6175.675-165.2158.900114P64 I158 R162P64-E66 HydrophobicContact CB-CG 3.84Å; P64-E66 HydrophobicContact CG-CG 3.83Å; P64-E66 WeakPolarHBondContact CG-OE1 3.44Å; P64-E66 PolarHBondContact O-N 2.85Å; E66-I158 HydrophobicContact CB-CD1 4.29Å; E66-R162 PolarHBondContact O-NH2 3.35Å
67N81.8Confident70.9Confident74 Ų7478.5 Ų78.540%0.39642%0.424SS..G310 helixtrans-88.2-10.1179.7-69.6-14.7000112.7F63 P64 A65 T69 Q87F63-N67 HydrophobicContact CD1-CB 4.08Å; F63-N67 HydrophobicContact CD2-CB 4.47Å; F63-N67 HydrophobicContact CE1-CB 3.35Å; F63-N67 HydrophobicContact CE2-CB 3.81Å; F63-N67 HydrophobicContact CZ-CB 3.2Å; P64-N67 WeakPolarHBondContact CG-ND2 3.47Å; P64-N67 PolarHBondContact O-N 3.45Å; A65-N67 PolarHBondContact O-N 3.44Å; N67-T69 PolarHBondContact O-N 3.15Å; N67-T69 PolarHBondContact O-OG1 3.22Å; N67-Q87 PolarHBondContact O-OE1 3.1Å
68L84.8Confident72.9Confident0 Ų075.5 Ų75.50%042%0.418CS..  trans-76.3112175.3-170.263.4000109.3A65 M83 Q87 V88 Y91 M144 Y155 R162A65-L68 PolarHBondContact O-N 3.25Å; L68-M83 HydrophobicContact CD1-SD 4.29Å; L68-M83 HydrophobicContact CD2-SD 3.95Å; L68-M83 HydrophobicContact CG-SD 4.04Å; L68-Q87 HydrophobicContact CD1-CB 3.91Å; L68-V88 HydrophobicContact CD1-CG2 3.72Å; L68-Y91 HydrophobicContact CD2-CD1 4.15Å; L68-M144 HydrophobicContact CD2-CE 4.05Å; L68-M144 HydrophobicContact CD2-SD 4.42Å; L68-Y155 HydrophobicContact CB-CD2 4.15Å; L68-Y155 HydrophobicContact CB-CE2 3.73Å; L68-Y155 HydrophobicContact CD2-CD2 3.84Å; L68-Y155 HydrophobicContact CD2-CE1 4.28Å; L68-Y155 HydrophobicContact CD2-CE2 3.61Å; L68-Y155 HydrophobicContact CD2-CG 4.28Å; L68-Y155 HydrophobicContact CG-CD2 4.43Å; L68-Y155 HydrophobicContact CG-CE2 3.86Å; L68-R162 PolarHBondContact O-NH1 2.81Å; L68-R162 PolarHBondContact O-NH2 3.22Å
69T83.9Confident74.6Confident32 Ų3268.2 Ų68.220%0.19638%0.383CS..  trans-107.3123.9-173.3-53.20000111.1N67 Q87 V122N67-T69 PolarHBondContact O-N 3.15Å; N67-T69 PolarHBondContact O-OG1 3.22Å; T69-Q87 VanDerWaalsContact N-OE1 3.14Å; T69-V122 HydrophobicContact CG2-CG1 3.9Å; T69-V122 HydrophobicContact CG2-CG2 3.82Å
70E88.9Confident77.1Confident63 Ų6370.2 Ų70.229%0.29438%0.378SS..EExtended strand (participates in β ladder)trans-93.3131.8168.3172.8168.8-121.400108.6Y81 M83 S137E70-Y81 HydrophobicContact CG-CD1 3.55Å; E70-Y81 HydrophobicContact CG-CE1 4.44Å; E70-Y81 HydrophobicContact CG-CG 4.1Å; E70-Y81 VanDerWaalsContact OE1-CB 3.24Å; E70-Y81 WeakPolarHBondContact OE1-CB 3.25Å; E70-M83 HydrophobicContact CB-CE 4.31Å; E70-S137 WeakPolarHBondContact CG-OG 3.41Å; E70-S137 WeakPolarHBondContact OE1-CB 3.39Å; E70-S137 PolarHBondContact OE1-OG 3.09Å
71Y87.2Confident78.8Confident13 Ų1369.9 Ų69.95%0.05136%0.361CS..EExtended strand (participates in β ladder)trans-134.4149.3177.766.2-85.6000110.6W73 Y81 Y82 L84 L109 E113 L117 A134Y71-W73 HydrophobicContact CD2-CB 4.23Å; Y71-W73 HydrophobicContact CE2-CB 4.05Å; Y71-Y81 WeakPolarHBondContact O-CA 3.42Å; Y71-Y82 WeakPolarHBondContact CD1-O 3.44Å; Y71-Y82 WeakPolarHBondContact CE1-O 3.33Å; Y71-Y82 PolarHBondContact N-O 3.38Å; Y71-Y82 PolarHBondContact O-N 3.14Å; Y71-L84 HydrophobicContact CE1-CD2 4.08Å; Y71-L84 HydrophobicContact CE1-CG 4.15Å; Y71-L109 VanDerWaalsContact OH-CD2 3.27Å; Y71-L109 WeakPolarHBondContact OH-CD2 3.35Å; Y71-E113 HydrophobicContact CE2-CG 4.46Å; Y71-E113 WeakPolarHBondContact CE2-OE1 3.3Å; Y71-E113 PolarHBondContact OH-OE1 3.31Å; Y71-L117 HydrophobicContact CD1-CD2 3.76Å; Y71-L117 HydrophobicContact CD2-CD1 4.47Å; Y71-L117 HydrophobicContact CD2-CD2 3.68Å; Y71-L117 HydrophobicContact CD2-CG 4.43Å; Y71-L117 HydrophobicContact CE1-CD1 4.15Å; Y71-L117 HydrophobicContact CE1-CD2 4.16Å; Y71-L117 HydrophobicContact CE2-CD1 4.01Å; Y71-L117 HydrophobicContact CE2-CD2 4.07Å; Y71-L117 HydrophobicContact CE2-CG 4.42Å; Y71-L117 HydrophobicContact CG-CD2 3.51Å; Y71-A134 VanDerWaalsContact OH-CB 3.3Å; Y71-A134 WeakPolarHBondContact OH-CB 3.23Å
72K87.4Confident80.6Confident46 Ų4665.2 Ų65.220%0.233%0.329CS..EExtended strand (participates in β ladder)trans-93129.2179.1-167.4-178.5-175.1-174.70110.2D76 D77 G79 E80 Y81K72-D76 WeakPolarHBondContact CE-O 3.37Å; K72-D76 PolarHBondContact NZ-O 3.42Å; K72-D77 VanDerWaalsContact NZ-CA 3.35Å; K72-D77 PolarHBondContact NZ-O 3.33Å; K72-D77 IonicContact NZ-OD1 3.68Å; K72-G79 WeakPolarHBondContact CE-O 3.32Å; K72-E80 CarbonylContact C-O 3.53Å; K72-E80 WeakPolarHBondContact CA-O 3.35Å; K72-Y81 HydrophobicContact CB-CD1 4.09Å; K72-Y81 HydrophobicContact CB-CE1 3.96Å; K72-Y81 HydrophobicContact CG-CE1 4.43Å
73W85.9Confident82.1Confident50 Ų5058.5 Ų58.519%0.18930%0.302CS..EExtended strand (participates in β ladder)trans-141.9132.8175.6-174.2-99.6000112.2Y71 P75 E80 Y82 K112 E113 Y116Y71-W73 HydrophobicContact CD2-CB 4.23Å; Y71-W73 HydrophobicContact CE2-CB 4.05Å; W73-P75 HydrophobicContact CE3-CG 4.14Å; W73-P75 HydrophobicContact CZ3-CG 4Å; W73-E80 PolarHBondContact N-O 3.05Å; W73-E80 PolarHBondContact O-N 2.85Å; W73-E80 VanDerWaalsContact O-N 3.13Å; W73-Y82 HydrophobicContact CB-CD2 4.18Å; W73-Y82 WeakPolarHBondContact O-CE2 3.49Å; W73-K112 HydrophobicContact CH2-CB 4.22Å; W73-E113 HydrophobicContact CD2-CB 4.08Å; W73-E113 HydrophobicContact CD2-CG 3.71Å; W73-E113 HydrophobicContact CE3-CB 4.26Å; W73-E113 HydrophobicContact CE3-CG 3.95Å; W73-E113 HydrophobicContact CG-CG 4.11Å; W73-E113 HydrophobicContact CH2-CB 3.88Å; W73-E113 HydrophobicContact CH2-CG 4.46Å; W73-E113 HydrophobicContact CZ2-CB 3.67Å; W73-E113 HydrophobicContact CZ2-CG 4.25Å; W73-E113 HydrophobicContact CZ3-CB 4.16Å; W73-E113 HydrophobicContact CZ3-CG 4.32Å; W73-Y116 HydrophobicContact CE3-CD1 4.14Å; W73-Y116 HydrophobicContact CE3-CG 4.42Å; W73-Y116 HydrophobicContact CZ3-CD1 4.22Å; W73-Y116 HydrophobicContact CZ3-CG 4.03Å
74P84.4Confident83.1Confident56 Ų5657.4 Ų57.436%0.36430%0.298SS..SBendcis-59.5164-10-23.835.7000113.5D76 G79P74-D76 PolarHBondContact O-N 2.94Å; P74-G79 VanDerWaalsContact O-CA 3.27Å; P74-G79 WeakPolarHBondContact O-CA 3.31Å
75P76.1Confident83.6Confident70 Ų7057.7 Ų57.746%0.45530%0.297SS..SBendtrans-66-9.8-176.5-21.133.6000115.3W73 Y116W73-P75 HydrophobicContact CE3-CG 4.14Å; W73-P75 HydrophobicContact CZ3-CG 4Å; P75-Y116 HydrophobicContact CB-CE2 4.41Å; P75-Y116 HydrophobicContact CG-CD2 4.3Å; P75-Y116 HydrophobicContact CG-CE2 4.05Å
76D79Confident84.1Confident110 Ų11060.3 Ų60.359%0.58831%0.308SS*.SBendtrans-73.9171.4-179-60.1-41.4000112.4K72 P74 T78 G79K72-D76 WeakPolarHBondContact CE-O 3.37Å; K72-D76 PolarHBondContact NZ-O 3.42Å; P74-D76 PolarHBondContact O-N 2.94Å; D76-T78 PolarHBondContact O-N 3.04Å; D76-G79 PolarHBondContact O-N 3.48Å
77D68.4Low84.5Confident161 Ų16156 Ų5686%0.86129%0.288SS*.THydrogen-bonded Turntrans-60-17.3177.5-88.5-19.6000114.1K72K72-D77 VanDerWaalsContact NZ-CA 3.35Å; K72-D77 PolarHBondContact NZ-O 3.33Å; K72-D77 IonicContact NZ-OD1 3.68Å
78T76.2Confident84.8Confident122 Ų12252.5 Ų52.575%0.74827%0.27SS*.THydrogen-bonded Turntrans-86.9-5.7177.658.80000114.6D76D76-T78 PolarHBondContact O-N 3.04Å
79G79.6Confident85Confident10 Ų1053.9 Ų53.910%0.10328%0.279CS..PPolyproline II helixtrans-69.8148.3-17900000114K72 P74 D76K72-G79 WeakPolarHBondContact CE-O 3.32Å; P74-G79 VanDerWaalsContact O-CA 3.27Å; P74-G79 WeakPolarHBondContact O-CA 3.31Å; D76-G79 PolarHBondContact O-N 3.48Å
80E86.4Confident85.1Confident93 Ų9357.7 Ų57.744%0.43530%0.295SS..EExtended strand (participates in β ladder)trans-98.5164.2171.5-62.3-175.513500110.4K72 W73 Y82 R136K72-E80 CarbonylContact C-O 3.53Å; K72-E80 WeakPolarHBondContact CA-O 3.35Å; W73-E80 PolarHBondContact N-O 3.05Å; W73-E80 PolarHBondContact O-N 2.85Å; W73-E80 VanDerWaalsContact O-N 3.13Å; E80-Y82 HydrophobicContact CB-CD2 4.49Å; E80-Y82 HydrophobicContact CB-CE2 3.71Å; E80-Y82 WeakPolarHBondContact O-CD2 3.47Å; E80-Y82 PolarHBondContact OE2-OH 3.41Å; E80-R136 IonicContact OE2-NE 2.86Å
81Y89.1Confident85Confident126 Ų12655 Ų5549%0.49428%0.282SS..EExtended strand (participates in β ladder)trans-91.4133.7178.6-69.7-83.9000111.4E70 Y71 K72 S137E70-Y81 HydrophobicContact CG-CD1 3.55Å; E70-Y81 HydrophobicContact CG-CE1 4.44Å; E70-Y81 HydrophobicContact CG-CG 4.1Å; E70-Y81 VanDerWaalsContact OE1-CB 3.24Å; E70-Y81 WeakPolarHBondContact OE1-CB 3.25Å; Y71-Y81 WeakPolarHBondContact O-CA 3.42Å; K72-Y81 HydrophobicContact CB-CD1 4.09Å; K72-Y81 HydrophobicContact CB-CE1 3.96Å; K72-Y81 HydrophobicContact CG-CE1 4.43Å; Y81-S137 VanDerWaalsContact C-OG 3.25Å; Y81-S137 WeakPolarHBondContact CB-OG 3.43Å; Y81-S137 WeakPolarHBondContact O-CB 3.4Å; Y81-S137 PolarHBondContact O-N 2.78Å; Y81-S137 PolarHBondContact O-OG 3.2Å
82Y90.8Very high85Confident30 Ų3055.1 Ų55.112%0.11828%0.284CS..EExtended strand (participates in β ladder)trans-129.5154.8-178.9-66.5-90.8000111Y71 W73 E80 A134 L135 R136 S137Y71-Y82 WeakPolarHBondContact CD1-O 3.44Å; Y71-Y82 WeakPolarHBondContact CE1-O 3.33Å; Y71-Y82 PolarHBondContact N-O 3.38Å; Y71-Y82 PolarHBondContact O-N 3.14Å; W73-Y82 HydrophobicContact CB-CD2 4.18Å; W73-Y82 WeakPolarHBondContact O-CE2 3.49Å; E80-Y82 HydrophobicContact CB-CD2 4.49Å; E80-Y82 HydrophobicContact CB-CE2 3.71Å; E80-Y82 WeakPolarHBondContact O-CD2 3.47Å; E80-Y82 PolarHBondContact OE2-OH 3.41Å; Y82-A134 HydrophobicContact CD1-CB 4.15Å; Y82-L135 CarbonylContact C-O 2.91Å; Y82-L135 VanDerWaalsContact CA-O 3.23Å; Y82-L135 WeakPolarHBondContact CA-O 3.46Å; Y82-R136 HydrophobicContact CD1-CG 4.19Å; Y82-R136 HydrophobicContact CE1-CG 3.65Å; Y82-S137 PolarHBondContact N-OG 3.2Å
83M90.8Very high84.8Confident0 Ų056 Ų560%031%0.305CS..EExtended strand (participates in β ladder)trans-124151.9171.1-61.1-171.5-168.200110.2L68 E70 V88 A134 L135 V140 I141 Y155L68-M83 HydrophobicContact CD1-SD 4.29Å; L68-M83 HydrophobicContact CD2-SD 3.95Å; L68-M83 HydrophobicContact CG-SD 4.04Å; E70-M83 HydrophobicContact CB-CE 4.31Å; M83-V88 HydrophobicContact CB-CG2 3.98Å; M83-V88 HydrophobicContact SD-CG2 4.46Å; M83-A134 WeakPolarHBondContact O-CA 3.32Å; M83-L135 PolarHBondContact N-O 2.86Å; M83-L135 PolarHBondContact O-N 2.86Å; M83-V140 HydrophobicContact SD-CB 4.26Å; M83-V140 HydrophobicContact SD-CG1 3.91Å; M83-I141 HydrophobicContact CE-CD1 4.21Å; M83-I141 HydrophobicContact CE-CG1 4.14Å; M83-Y155 HydrophobicContact CE-CE1 3.89Å; M83-Y155 WeakPolarHBondContact CE-OH 3.28Å
84L90.3Very high84.8Confident5 Ų554.1 Ų54.13%0.02630%0.299CS..EExtended strand (participates in β ladder)trans-78.6126.3176.2-64.2175.6000110.4Y71 E86 Q87 V88 L109 L117 V122 I123Y71-L84 HydrophobicContact CE1-CD2 4.08Å; Y71-L84 HydrophobicContact CE1-CG 4.15Å; L84-E86 PolarHBondContact O-N 3.17Å; L84-Q87 HydrophobicContact CB-CB 4.3Å; L84-Q87 HydrophobicContact CB-CG 4.08Å; L84-Q87 HydrophobicContact CD1-CG 4.41Å; L84-Q87 PolarHBondContact O-N 3.45Å; L84-Q87 VanDerWaalsContact O-N 3.16Å; L84-V88 WeakPolarHBondContact O-CG2 3.34Å; L84-V88 PolarHBondContact O-N 2.9Å; L84-L109 HydrophobicContact CD2-CD1 3.65Å; L84-L109 HydrophobicContact CD2-CD2 4.28Å; L84-L109 HydrophobicContact CD2-CG 4.42Å; L84-L117 HydrophobicContact CD2-CD1 4.18Å; L84-V122 HydrophobicContact CD1-CG1 4.09Å; L84-I123 HydrophobicContact CD1-CD1 3.64Å; L84-I123 HydrophobicContact CD1-CG1 3.57Å; L84-I123 HydrophobicContact CD2-CD1 4.18Å
85Q88.6Confident84.5Confident30 Ų3058.8 Ų58.814%0.1433%0.327CS..Hα-helixtrans-56.1-38.6179.2-174.2-173.4-94.500111.2V88 S89 F97 R106 T133 L135Q85-V88 PolarHBondContact O-N 2.98Å; Q85-S89 VanDerWaalsContact O-CB 3.25Å; Q85-S89 WeakPolarHBondContact O-CB 3.42Å; Q85-S89 PolarHBondContact O-N 3.13Å; Q85-S89 PolarHBondContact O-OG 3.08Å; Q85-F97 HydrophobicContact CG-CB 4.29Å; Q85-F97 HydrophobicContact CG-CD1 3.74Å; Q85-F97 HydrophobicContact CG-CE1 4.31Å; Q85-F97 HydrophobicContact CG-CG 4.06Å; Q85-R106 VanDerWaalsContact OE1-CD 3.3Å; Q85-T133 WeakPolarHBondContact CB-O 3.49Å; Q85-T133 WeakPolarHBondContact CB-OG1 3.36Å; Q85-T133 PolarHBondContact N-O 3.33Å; Q85-T133 PolarHBondContact NE2-OG1 3.34Å; Q85-T133 VanDerWaalsContact NE2-OG1 3.11Å; Q85-L135 HydrophobicContact CB-CD1 4.01Å; Q85-L135 HydrophobicContact CB-CD2 4.42Å; Q85-L135 HydrophobicContact CB-CG 3.98Å; Q85-L135 HydrophobicContact CG-CD1 4.03Å; Q85-L135 HydrophobicContact CG-CD2 4.44Å; Q85-L135 HydrophobicContact CG-CG 4.32Å
86E87.7Confident84.8Confident60 Ų6057.9 Ų57.928%0.2832%0.322SS..Hα-helixtrans-62.9-45.3-178.2-63.872.2-155.800110.6L84 S89 E90 L132 T133L84-E86 PolarHBondContact O-N 3.17Å; E86-S89 PolarHBondContact O-N 2.88Å; E86-S89 PolarHBondContact O-OG 2.93Å; E86-E90 WeakPolarHBondContact O-CB 3.49Å; E86-E90 PolarHBondContact O-N 2.96Å; E86-L132 HydrophobicContact CG-CD2 3.92Å; E86-T133 PolarHBondContact OE1-N 3.4Å; E86-T133 PolarHBondContact OE1-OG1 2.94Å; E86-T133 VanDerWaalsContact OE1-OG1 3.09Å
87Q88.2Confident85Confident25 Ų2553 Ų5312%0.11730%0.296CS..Hα-helixtrans-64.7-42.5175.7-66.6-178.4-11.600111.9F63 N67 L68 T69 L84 E90 Y91F63-Q87 HydrophobicContact CZ-CB 4.24Å; F63-Q87 HydrophobicContact CZ-CG 4.28Å; N67-Q87 PolarHBondContact O-OE1 3.1Å; L68-Q87 HydrophobicContact CD1-CB 3.91Å; T69-Q87 VanDerWaalsContact N-OE1 3.14Å; L84-Q87 HydrophobicContact CB-CB 4.3Å; L84-Q87 HydrophobicContact CB-CG 4.08Å; L84-Q87 HydrophobicContact CD1-CG 4.41Å; L84-Q87 PolarHBondContact O-N 3.45Å; L84-Q87 VanDerWaalsContact O-N 3.16Å; Q87-E90 PolarHBondContact O-N 3.39Å; Q87-Y91 WeakPolarHBondContact O-CB 3.33Å; Q87-Y91 PolarHBondContact O-N 2.79Å
88V87.4Confident85.6Confident0 Ų052.6 Ų52.60%029%0.286CS..Hα-helixtrans-63.2-43.1177176.10000110.8L68 M83 L84 Q85 E90 Y91 L92 F97 L135 V140L68-V88 HydrophobicContact CD1-CG2 3.72Å; M83-V88 HydrophobicContact CB-CG2 3.98Å; M83-V88 HydrophobicContact SD-CG2 4.46Å; L84-V88 WeakPolarHBondContact O-CG2 3.34Å; L84-V88 PolarHBondContact O-N 2.9Å; Q85-V88 PolarHBondContact O-N 2.98Å; V88-E90 VanDerWaalsContact C-N 3.33Å; V88-E90 PolarHBondContact O-N 2.77Å; V88-Y91 PolarHBondContact O-N 3.31Å; V88-L92 HydrophobicContact CG1-CD1 3.81Å; V88-L92 HydrophobicContact CG1-CG 4.36Å; V88-L92 WeakPolarHBondContact O-CB 3.18Å; V88-L92 WeakPolarHBondContact O-CG 3.43Å; V88-L92 PolarHBondContact O-N 2.95Å; V88-F97 HydrophobicContact CG1-CE2 3.78Å; V88-F97 HydrophobicContact CG1-CZ 4.06Å; V88-L135 HydrophobicContact CB-CD1 4.44Å; V88-L135 HydrophobicContact CG1-CD1 4.46Å; V88-L135 HydrophobicContact CG2-CD1 4.42Å; V88-V140 HydrophobicContact CG1-CG1 3.81Å; V88-V140 HydrophobicContact CG2-CG1 3.81Å; V88-V140 HydrophobicContact CG2-CG2 4.37Å
89S87.7Confident85.8Confident29 Ų2956.7 Ų56.720%0.20329%0.288CS..Hα-helixtrans-65.9-37.2-179.572.30000112.2Q85 E86 G93 V94Q85-S89 VanDerWaalsContact O-CB 3.25Å; Q85-S89 WeakPolarHBondContact O-CB 3.42Å; Q85-S89 PolarHBondContact O-N 3.13Å; Q85-S89 PolarHBondContact O-OG 3.08Å; E86-S89 PolarHBondContact O-N 2.88Å; E86-S89 PolarHBondContact O-OG 2.93Å; S89-G93 CarbonylContact O-C 3.57Å; S89-G93 PolarHBondContact O-N 3.32Å; S89-G93 VanDerWaalsContact O-N 3.1Å; S89-V94 PolarHBondContact O-N 2.96Å
90E87.4Confident85.8Confident113 Ų11361.5 Ų61.553%0.52831%0.306SS..Hα-helixtrans-71.3-43.6176-163.9175.6177.300111.3F63 E86 Q87 V88 L92 G93F63-E90 HydrophobicContact CB-CG 4.02Å; F63-E90 HydrophobicContact CD2-CB 4.24Å; F63-E90 HydrophobicContact CD2-CG 3.74Å; F63-E90 HydrophobicContact CE2-CG 4.41Å; F63-E90 WeakPolarHBondContact CE2-OE2 3.48Å; F63-E90 HydrophobicContact CG-CB 4.37Å; F63-E90 HydrophobicContact CG-CG 4.05Å; E86-E90 WeakPolarHBondContact O-CB 3.49Å; E86-E90 PolarHBondContact O-N 2.96Å; Q87-E90 PolarHBondContact O-N 3.39Å; V88-E90 VanDerWaalsContact C-N 3.33Å; V88-E90 PolarHBondContact O-N 2.77Å; E90-L92 PolarHBondContact O-N 2.81Å; E90-G93 PolarHBondContact O-N 3.49Å
91Y87.1Confident85.7Confident7 Ų758.1 Ų58.13%0.02729%0.289CS..Hα-helixtrans-62.8-42.5178-178.1-118.9000113.4F63 A65 L68 Q87 V88 G93 M144 K151 E154F63-Y91 HydrophobicContact CD1-CD2 4.06Å; F63-Y91 HydrophobicContact CD1-CG 4.39Å; F63-Y91 WeakPolarHBondContact O-CD2 3.48Å; A65-Y91 HydrophobicContact CB-CE2 3.64Å; L68-Y91 HydrophobicContact CD2-CD1 4.15Å; Q87-Y91 WeakPolarHBondContact O-CB 3.33Å; Q87-Y91 PolarHBondContact O-N 2.79Å; V88-Y91 PolarHBondContact O-N 3.31Å; Y91-G93 VanDerWaalsContact C-N 3.31Å; Y91-M144 HydrophobicContact CD1-SD 4.21Å; Y91-M144 HydrophobicContact CE1-SD 4.01Å; Y91-K151 HydrophobicContact CE1-CB 3.85Å; Y91-K151 HydrophobicContact CE1-CD 4.26Å; Y91-K151 HydrophobicContact CE2-CD 4.1Å; Y91-K151 WeakPolarHBondContact OH-CA 3.34Å; Y91-K151 PolarHBondContact OH-O 3.26Å; Y91-E154 WeakPolarHBondContact OH-CB 3.42Å; Y91-E154 PolarHBondContact OH-OE2 3.41Å
92L86.3Confident85.3Confident15 Ų1556 Ų568%0.07929%0.291CS..THydrogen-bonded Turntrans-83.5-5.8178.7-60.3-179.8000113.1V88 E90 V94 F97 L143 M144 Y148 K151V88-L92 HydrophobicContact CG1-CD1 3.81Å; V88-L92 HydrophobicContact CG1-CG 4.36Å; V88-L92 WeakPolarHBondContact O-CB 3.18Å; V88-L92 WeakPolarHBondContact O-CG 3.43Å; V88-L92 PolarHBondContact O-N 2.95Å; E90-L92 PolarHBondContact O-N 2.81Å; L92-V94 VanDerWaalsContact C-N 3.3Å; L92-V94 HydrophobicContact CB-CG2 3.91Å; L92-V94 PolarHBondContact O-N 3.4Å; L92-F97 HydrophobicContact CD1-CE2 4.46Å; L92-L143 HydrophobicContact CD1-CD2 3.72Å; L92-M144 HydrophobicContact CD1-CG 4.41Å; L92-M144 HydrophobicContact CD2-CG 4.02Å; L92-M144 HydrophobicContact CD2-SD 4.26Å; L92-Y148 HydrophobicContact CD1-CD2 4.29Å; L92-Y148 HydrophobicContact CD1-CE2 4.21Å; L92-Y148 HydrophobicContact CD2-CD1 4.43Å; L92-Y148 HydrophobicContact CD2-CD2 4.02Å; L92-Y148 HydrophobicContact CD2-CG 3.97Å; L92-K151 HydrophobicContact CD2-CB 4.27Å
93G83.3Confident84.8Confident63 Ų6363.3 Ų63.365%0.64933%0.326SS*.THydrogen-bonded Turntrans65.230.8-177.100000113.6S89 E90 Y91S89-G93 CarbonylContact O-C 3.57Å; S89-G93 PolarHBondContact O-N 3.32Å; S89-G93 VanDerWaalsContact O-N 3.1Å; E90-G93 PolarHBondContact O-N 3.49Å; Y91-G93 VanDerWaalsContact C-N 3.31Å
94V86Confident84.4Confident12 Ų1264.3 Ų64.37%0.07333%0.331CS..  trans-99.5108.6-1771800000110.2S89 L92 S96 F97 K100S89-V94 PolarHBondContact O-N 2.96Å; L92-V94 VanDerWaalsContact C-N 3.3Å; L92-V94 HydrophobicContact CB-CG2 3.91Å; L92-V94 PolarHBondContact O-N 3.4Å; V94-S96 PolarHBondContact O-N 2.92Å; V94-F97 HydrophobicContact CB-CD2 4.38Å; V94-F97 HydrophobicContact CG1-CD2 4.27Å; V94-K100 HydrophobicContact CG1-CB 4.16Å; V94-K100 HydrophobicContact CG1-CD 3.81Å; V94-K100 HydrophobicContact CG2-CD 4.15Å
95T79.1Confident83.9Confident154 Ų15470.1 Ų70.195%0.94536%0.358SS*.SBendtrans-72.2-24.5-177.156.10000114.7
96S81.4Confident83.8Confident50 Ų5072 Ų7235%0.3536%0.364SS..  trans-136.278.7178.6-1670000111.1V94 K98 R99 K100V94-S96 PolarHBondContact O-N 2.92Å; S96-K98 VanDerWaalsContact C-N 3.28Å; S96-K98 PolarHBondContact O-N 3.47Å; S96-R99 PolarHBondContact O-N 3.42Å; S96-R99 VanDerWaalsContact O-N 3.17Å; S96-R99 WeakPolarHBondContact OG-CB 3.47Å; S96-K100 PolarHBondContact O-N 2.79Å; S96-K100 VanDerWaalsContact O-N 3.14Å
97F83.8Confident83.7Confident7 Ų772.8 Ų72.83%0.03137%0.365CS..Hα-helixtrans-59.6-38.2-177-159-92.7000112.7Q85 V88 L92 V94 R99 K100 Y101 M104 L135Q85-F97 HydrophobicContact CG-CB 4.29Å; Q85-F97 HydrophobicContact CG-CD1 3.74Å; Q85-F97 HydrophobicContact CG-CE1 4.31Å; Q85-F97 HydrophobicContact CG-CG 4.06Å; V88-F97 HydrophobicContact CG1-CE2 3.78Å; V88-F97 HydrophobicContact CG1-CZ 4.06Å; L92-F97 HydrophobicContact CD1-CE2 4.46Å; V94-F97 HydrophobicContact CB-CD2 4.38Å; V94-F97 HydrophobicContact CG1-CD2 4.27Å; F97-R99 VanDerWaalsContact C-N 3.32Å; F97-R99 PolarHBondContact O-N 3.02Å; F97-K100 PolarHBondContact O-N 3.36Å; F97-Y101 HydrophobicContact CD1-CD2 4.48Å; F97-Y101 HydrophobicContact CD2-CD2 4.07Å; F97-Y101 HydrophobicContact CD2-CE2 4.39Å; F97-Y101 HydrophobicContact CE1-CD2 4.24Å; F97-Y101 AromaticContact CE2-CD2 3.8Å; F97-Y101 HydrophobicContact CE2-CD2 3.8Å; F97-Y101 HydrophobicContact CE2-CE2 4.07Å; F97-Y101 HydrophobicContact CG-CD2 4.4Å; F97-Y101 AromaticContact CZ-CD2 3.89Å; F97-Y101 HydrophobicContact CZ-CD2 3.89Å; F97-Y101 PolarHBondContact O-N 3.24Å; F97-M104 HydrophobicContact CE1-SD 3.48Å; F97-M104 WeakPolarHBondContact CE1-SD 3.12Å; F97-M104 HydrophobicContact CZ-CE 4.45Å; F97-M104 HydrophobicContact CZ-SD 3.66Å; F97-L135 HydrophobicContact CD1-CD1 4.33Å; F97-L135 HydrophobicContact CE1-CD1 3.49Å; F97-L135 VanDerWaalsContact CE1-CD1 3.49Å; F97-L135 HydrophobicContact CE1-CD2 4.29Å; F97-L135 HydrophobicContact CZ-CD1 3.7Å
98K80.5Confident83.5Confident154 Ų15477.5 Ų77.567%0.6739%0.391SS*.Hα-helixtrans-63.7-33.3177.5-167.8171.5-177.1173.30114S96S96-K98 VanDerWaalsContact C-N 3.28Å; S96-K98 PolarHBondContact O-N 3.47Å
99R79.6Confident83.4Confident208 Ų20878 Ų7879%0.78539%0.393SS*.Hα-helixtrans-80.9-37.8179.8-170.1-175.4-60.6-152.9-0.6111.6S96 F97S96-R99 PolarHBondContact O-N 3.42Å; S96-R99 VanDerWaalsContact O-N 3.17Å; S96-R99 WeakPolarHBondContact OG-CB 3.47Å; F97-R99 VanDerWaalsContact C-N 3.32Å; F97-R99 PolarHBondContact O-N 3.02Å
100K81.2Confident83.3Confident111 Ų11179.4 Ų79.448%0.48340%0.403SS..Hα-helixtrans-75.9-33.1-176.3-160.5172.3-178.21780112.4V94 S96 F97 Y148V94-K100 HydrophobicContact CG1-CB 4.16Å; V94-K100 HydrophobicContact CG1-CD 3.81Å; V94-K100 HydrophobicContact CG2-CD 4.15Å; S96-K100 PolarHBondContact O-N 2.79Å; S96-K100 VanDerWaalsContact O-N 3.14Å; F97-K100 PolarHBondContact O-N 3.36Å; K100-Y148 WeakPolarHBondContact CE-OH 3.33Å; K100-Y148 PolarHBondContact NZ-OH 2.76Å
101Y84.6Confident83.1Confident21 Ų2180.6 Ų80.68%0.08241%0.408CS..  trans-13065.4-177.9-54.9-64.9000112.9F97 E103 M104 R106 L143 E147 Y148F97-Y101 HydrophobicContact CD1-CD2 4.48Å; F97-Y101 HydrophobicContact CD2-CD2 4.07Å; F97-Y101 HydrophobicContact CD2-CE2 4.39Å; F97-Y101 HydrophobicContact CE1-CD2 4.24Å; F97-Y101 AromaticContact CE2-CD2 3.8Å; F97-Y101 HydrophobicContact CE2-CD2 3.8Å; F97-Y101 HydrophobicContact CE2-CE2 4.07Å; F97-Y101 HydrophobicContact CG-CD2 4.4Å; F97-Y101 AromaticContact CZ-CD2 3.89Å; F97-Y101 HydrophobicContact CZ-CD2 3.89Å; F97-Y101 PolarHBondContact O-N 3.24Å; Y101-E103 VanDerWaalsContact C-N 3.28Å; Y101-E103 PolarHBondContact O-N 3.34Å; Y101-M104 PolarHBondContact O-N 3.01Å; Y101-R106 PolarHBondContact O-NH2 3.46Å; Y101-L143 HydrophobicContact CD1-CD1 3.5Å; Y101-L143 VanDerWaalsContact CD1-CD1 3.5Å; Y101-L143 HydrophobicContact CD2-CD1 3.88Å; Y101-L143 HydrophobicContact CE1-CD1 3.54Å; Y101-L143 HydrophobicContact CE1-CG 4.32Å; Y101-L143 HydrophobicContact CE2-CD1 3.91Å; Y101-L143 HydrophobicContact CE2-CD2 4.47Å; Y101-L143 HydrophobicContact CG-CD1 3.68Å; Y101-E147 WeakPolarHBondContact CE1-OE2 3.43Å; Y101-E147 VanDerWaalsContact CZ-OE2 3.27Å; Y101-E147 PolarHBondContact OH-OE2 2.97Å; Y101-Y148 VanDerWaalsContact OH-CE2 3.31Å; Y101-Y148 WeakPolarHBondContact OH-CE2 3.42Å; Y101-Y148 PolarHBondContact OH-OH 3.39Å
102P79.5Confident83Confident82 Ų8288 Ų8853%0.53244%0.44SS..THydrogen-bonded Turntrans-56.1-40.8-172-23.434000113.7M104 R106P102-M104 VanDerWaalsContact C-N 3.29Å; P102-M104 PolarHBondContact O-N 3.04Å; P102-R106 PolarHBondContact O-NH1 3.32Å
103E79.8Confident83Confident183 Ų18387.2 Ų87.286%0.85544%0.437SS*.THydrogen-bonded Turntrans-75-6.1-174.5-58.7-61139.800115Y101Y101-E103 VanDerWaalsContact C-N 3.28Å; Y101-E103 PolarHBondContact O-N 3.34Å
104M82.6Confident83.1Confident21 Ų2185.7 Ų85.710%0.10341%0.412CS..SBendtrans-74.1134.3179.7-173.5167-75.500111.5F97 Y101 P102 R106 L135 E139 V140 L143F97-M104 HydrophobicContact CE1-SD 3.48Å; F97-M104 WeakPolarHBondContact CE1-SD 3.12Å; F97-M104 HydrophobicContact CZ-CE 4.45Å; F97-M104 HydrophobicContact CZ-SD 3.66Å; Y101-M104 PolarHBondContact O-N 3.01Å; P102-M104 VanDerWaalsContact C-N 3.29Å; P102-M104 PolarHBondContact O-N 3.04Å; M104-R106 PolarHBondContact O-N 3.47Å; M104-R106 PolarHBondContact O-NH1 3.21Å; M104-L135 HydrophobicContact CG-CD2 4.05Å; M104-L135 HydrophobicContact SD-CD1 3.83Å; M104-L135 HydrophobicContact SD-CD2 3.97Å; M104-L135 HydrophobicContact SD-CG 4.36Å; M104-E139 HydrophobicContact CE-CB 4.47Å; M104-V140 HydrophobicContact SD-CG2 4.46Å; M104-L143 HydrophobicContact CE-CB 4.12Å; M104-L143 HydrophobicContact CE-CD1 3.37Å; M104-L143 HydrophobicContact CE-CG 4.36Å
105E80.1Confident83Confident127 Ų12788.8 Ų88.859%0.59343%0.428SS*.  trans-69.6127.5-179.8-70.3-164.6165.800110.9L135 E139E105-L135 WeakPolarHBondContact O-CD2 3.16Å; E105-E139 PolarHBondContact N-OE2 3.24Å
106R86.8Confident83.3Confident70 Ų7084.5 Ų84.526%0.26440%0.395SS..  trans-124.1130.8-178.8-66.3172.5-169.884.24.9109.5Q85 Y101 P102 M104 L135Q85-R106 VanDerWaalsContact OE1-CD 3.3Å; Y101-R106 PolarHBondContact O-NH2 3.46Å; P102-R106 PolarHBondContact O-NH1 3.32Å; M104-R106 PolarHBondContact O-N 3.47Å; M104-R106 PolarHBondContact O-NH1 3.21Å; R106-L135 HydrophobicContact CG-CD2 3.7Å
107R85.8Confident83.5Confident77 Ų7782.1 Ų82.129%0.29138%0.378SS..EExtended strand (participates in β ladder)trans-122.3130.1174.9-168.5-179.361.174.6-6110.2E113 A134R107-E113 IonicContact CZ-OE1 3.53Å; R107-E113 IonicContact CZ-OE2 3.92Å; R107-E113 IonicContact NH1-OE1 2.69Å; R107-E113 IonicContact NH1-OE2 2.67Å; R107-E113 PolarHBondContact NH1-OE2 3.34Å; R107-E113 IonicContact NH2-OE1 3.17Å; R107-E113 PolarHBondContact NH2-OE1 3.04Å; R107-E113 IonicContact NH2-OE2 3.09Å; R107-E113 PolarHBondContact NH2-OE2 3.5Å; R107-A134 PolarHBondContact N-O 2.64Å; R107-A134 PolarHBondContact O-N 2.84Å
108D84.2Confident83.6Confident123 Ų12386.1 Ų86.166%0.65839%0.393SS*.EExtended strand (participates in β ladder)trans-68.1138.4171.6-64-37.6000110.1S110 T133D108-S110 PolarHBondContact O-N 2.95Å; D108-T133 WeakPolarHBondContact OD1-CG2 3.43Å
109L84.6Confident83.8Confident12 Ų1285.7 Ų85.76%0.06339%0.394CS..PPolyproline II helixtrans-68.6129.6178-65.2179.5000111Y71 L84 E113 K114 L117 I123 L132 A134Y71-L109 VanDerWaalsContact OH-CD2 3.27Å; Y71-L109 WeakPolarHBondContact OH-CD2 3.35Å; L84-L109 HydrophobicContact CD2-CD1 3.65Å; L84-L109 HydrophobicContact CD2-CD2 4.28Å; L84-L109 HydrophobicContact CD2-CG 4.42Å; L109-E113 HydrophobicContact CD2-CG 3.92Å; L109-E113 VanDerWaalsContact CD2-OE1 3.28Å; L109-E113 WeakPolarHBondContact CD2-OE1 3.3Å; L109-K114 HydrophobicContact CB-CD 4.36Å; L109-K114 HydrophobicContact CB-CG 3.7Å; L109-K114 HydrophobicContact CD1-CG 4.13Å; L109-K114 WeakPolarHBondContact O-CE 3.45Å; L109-L117 HydrophobicContact CD1-CD1 4Å; L109-L117 HydrophobicContact CD2-CD1 4.23Å; L109-I123 HydrophobicContact CD1-CD1 4.09Å; L109-L132 HydrophobicContact CD1-CB 3.44Å; L109-L132 VanDerWaalsContact CD1-CB 3.44Å; L109-L132 HydrophobicContact CD1-CD1 3.98Å; L109-L132 HydrophobicContact CD1-CG 4.38Å; L109-L132 HydrophobicContact CG-CB 4.14Å; L109-L132 PolarHBondContact N-O 3.48Å; L109-A134 HydrophobicContact CD2-CB 3.77Å
110S85.8Confident83.9Confident58 Ų5881 Ų8141%0.40638%0.38SS..PPolyproline II helixtrans-68.2153.5172.9-176.80000110.9D108 K112 E113 K114D108-S110 PolarHBondContact O-N 2.95Å; S110-K112 PolarHBondContact O-N 3.4Å; S110-E113 PolarHBondContact N-OE2 3.39Å; S110-E113 WeakPolarHBondContact O-CB 3.37Å; S110-E113 PolarHBondContact O-N 3.43Å; S110-K114 WeakPolarHBondContact O-CG 3.35Å; S110-K114 PolarHBondContact O-N 3.41Å
111H83.1Confident84Confident138 Ų13882.7 Ų82.764%0.63940%0.395SS*.Hα-helixtrans-57.1-38.3177.8-173.865000112.6E113 K114 L115H111-E113 VanDerWaalsContact C-N 3.33Å; H111-E113 PolarHBondContact O-N 2.91Å; H111-K114 PolarHBondContact O-N 3.45Å; H111-L115 WeakPolarHBondContact O-CG 3.47Å; H111-L115 PolarHBondContact O-N 3.36Å
112K84.9Confident83.9Confident161 Ų16182.9 Ų82.970%0.740%0.398SS*.Hα-helixtrans-65-37.4175.9-67.5-177.3178.6-179.50112.6W73 S110 L115 Y116W73-K112 HydrophobicContact CH2-CB 4.22Å; S110-K112 PolarHBondContact O-N 3.4Å; K112-L115 PolarHBondContact O-N 3.05Å; K112-Y116 PolarHBondContact O-N 3.11Å
113E86.1Confident84.1Confident0 Ų079.3 Ų79.30%037%0.374CS..Hα-helixtrans-71-39.9178.9-175.2177.4-167.800111.7Y71 W73 R107 L109 S110 H111 L115 Y116 L117Y71-E113 HydrophobicContact CE2-CG 4.46Å; Y71-E113 WeakPolarHBondContact CE2-OE1 3.3Å; Y71-E113 PolarHBondContact OH-OE1 3.31Å; W73-E113 HydrophobicContact CD2-CB 4.08Å; W73-E113 HydrophobicContact CD2-CG 3.71Å; W73-E113 HydrophobicContact CE3-CB 4.26Å; W73-E113 HydrophobicContact CE3-CG 3.95Å; W73-E113 HydrophobicContact CG-CG 4.11Å; W73-E113 HydrophobicContact CH2-CB 3.88Å; W73-E113 HydrophobicContact CH2-CG 4.46Å; W73-E113 HydrophobicContact CZ2-CB 3.67Å; W73-E113 HydrophobicContact CZ2-CG 4.25Å; W73-E113 HydrophobicContact CZ3-CB 4.16Å; W73-E113 HydrophobicContact CZ3-CG 4.32Å; R107-E113 IonicContact CZ-OE1 3.53Å; R107-E113 IonicContact CZ-OE2 3.92Å; R107-E113 IonicContact NH1-OE1 2.69Å; R107-E113 IonicContact NH1-OE2 2.67Å; R107-E113 PolarHBondContact NH1-OE2 3.34Å; R107-E113 IonicContact NH2-OE1 3.17Å; R107-E113 PolarHBondContact NH2-OE1 3.04Å; R107-E113 IonicContact NH2-OE2 3.09Å; R107-E113 PolarHBondContact NH2-OE2 3.5Å; L109-E113 HydrophobicContact CD2-CG 3.92Å; L109-E113 VanDerWaalsContact CD2-OE1 3.28Å; L109-E113 WeakPolarHBondContact CD2-OE1 3.3Å; S110-E113 PolarHBondContact N-OE2 3.39Å; S110-E113 WeakPolarHBondContact O-CB 3.37Å; S110-E113 PolarHBondContact O-N 3.43Å; H111-E113 VanDerWaalsContact C-N 3.33Å; H111-E113 PolarHBondContact O-N 2.91Å; E113-L115 VanDerWaalsContact C-N 3.31Å; E113-L115 PolarHBondContact O-N 2.79Å; E113-Y116 WeakPolarHBondContact O-CB 3.41Å; E113-Y116 PolarHBondContact O-N 2.63Å; E113-L117 HydrophobicContact CG-CD1 4.34Å; E113-L117 WeakPolarHBondContact O-CG 3.47Å; E113-L117 PolarHBondContact O-N 3.4Å
114K85.1Confident84.3Confident30 Ų3074 Ų7413%0.1336%0.355CS..Hα-helixtrans-60.6-40.4173.2-65.8-174.5-173.6-174.20111.9L109 S110 H111 L117 R118 C128 L130L109-K114 HydrophobicContact CB-CD 4.36Å; L109-K114 HydrophobicContact CB-CG 3.7Å; L109-K114 HydrophobicContact CD1-CG 4.13Å; L109-K114 WeakPolarHBondContact O-CE 3.45Å; S110-K114 WeakPolarHBondContact O-CG 3.35Å; S110-K114 PolarHBondContact O-N 3.41Å; H111-K114 PolarHBondContact O-N 3.45Å; K114-L117 PolarHBondContact O-N 3.08Å; K114-R118 WeakPolarHBondContact O-CB 3.45Å; K114-R118 PolarHBondContact O-N 3.03Å; K114-C128 WeakPolarHBondContact CD-O 3.34Å; K114-L130 PolarHBondContact NZ-O 2.97Å
115L84.4Confident84.2Confident78 Ų7878.8 Ų78.841%0.40838%0.377SS..Hα-helixtrans-64.2-43174.6-69.5171.8000111.6H111 K112 E113 L117 R118 E119H111-L115 WeakPolarHBondContact O-CG 3.47Å; H111-L115 PolarHBondContact O-N 3.36Å; K112-L115 PolarHBondContact O-N 3.05Å; E113-L115 VanDerWaalsContact C-N 3.31Å; E113-L115 PolarHBondContact O-N 2.79Å; L115-L117 PolarHBondContact O-N 3.32Å; L115-R118 WeakPolarHBondContact O-CB 3.44Å; L115-R118 PolarHBondContact O-N 3.16Å; L115-E119 PolarHBondContact O-N 2.94Å
116Y85.7Confident84.1Confident63 Ų6377.6 Ų77.625%0.24738%0.379CS..Hα-helixtrans-59.6-46175.6176.2-101.6000112.2W73 P75 K112 E113 R118 E119 Q120W73-Y116 HydrophobicContact CE3-CD1 4.14Å; W73-Y116 HydrophobicContact CE3-CG 4.42Å; W73-Y116 HydrophobicContact CZ3-CD1 4.22Å; W73-Y116 HydrophobicContact CZ3-CG 4.03Å; P75-Y116 HydrophobicContact CB-CE2 4.41Å; P75-Y116 HydrophobicContact CG-CD2 4.3Å; P75-Y116 HydrophobicContact CG-CE2 4.05Å; K112-Y116 PolarHBondContact O-N 3.11Å; E113-Y116 WeakPolarHBondContact O-CB 3.41Å; E113-Y116 PolarHBondContact O-N 2.63Å; Y116-R118 VanDerWaalsContact C-N 3.31Å; Y116-R118 PolarHBondContact O-N 3.21Å; Y116-E119 PolarHBondContact O-N 2.92Å; Y116-Q120 HydrophobicContact CE1-CG 4.21Å; Y116-Q120 HydrophobicContact CE2-CG 4.38Å; Y116-Q120 WeakPolarHBondContact O-CG 3.48Å; Y116-Q120 PolarHBondContact O-N 3.49Å
117L85.7Confident83.8Confident0 Ų078 Ų780%038%0.383CS..Hα-helixtrans-68.1-30178.2-69.7173000113.1Y71 L84 L109 E113 K114 L115 N121 V122 I123Y71-L117 HydrophobicContact CD1-CD2 3.76Å; Y71-L117 HydrophobicContact CD2-CD1 4.47Å; Y71-L117 HydrophobicContact CD2-CD2 3.68Å; Y71-L117 HydrophobicContact CD2-CG 4.43Å; Y71-L117 HydrophobicContact CE1-CD1 4.15Å; Y71-L117 HydrophobicContact CE1-CD2 4.16Å; Y71-L117 HydrophobicContact CE2-CD1 4.01Å; Y71-L117 HydrophobicContact CE2-CD2 4.07Å; Y71-L117 HydrophobicContact CE2-CG 4.42Å; Y71-L117 HydrophobicContact CG-CD2 3.51Å; L84-L117 HydrophobicContact CD2-CD1 4.18Å; L109-L117 HydrophobicContact CD1-CD1 4Å; L109-L117 HydrophobicContact CD2-CD1 4.23Å; E113-L117 HydrophobicContact CG-CD1 4.34Å; E113-L117 WeakPolarHBondContact O-CG 3.47Å; E113-L117 PolarHBondContact O-N 3.4Å; K114-L117 PolarHBondContact O-N 3.08Å; L115-L117 PolarHBondContact O-N 3.32Å; L117-N121 PolarHBondContact O-N 3.36Å; L117-V122 HydrophobicContact CB-CB 4.42Å; L117-V122 HydrophobicContact CD2-CB 4.18Å; L117-V122 HydrophobicContact CD2-CG1 4.32Å; L117-V122 HydrophobicContact CD2-CG2 4.29Å; L117-V122 PolarHBondContact O-N 2.93Å; L117-I123 HydrophobicContact CB-CB 4.42Å; L117-I123 HydrophobicContact CB-CD1 3.51Å; L117-I123 HydrophobicContact CB-CG1 3.96Å; L117-I123 HydrophobicContact CD1-CD1 3.46Å; L117-I123 VanDerWaalsContact CD1-CD1 3.46Å; L117-I123 HydrophobicContact CD1-CG1 4.49Å; L117-I123 HydrophobicContact CG-CD1 4.09Å; L117-I123 PolarHBondContact O-N 3.31Å
118R85.5Confident83.3Confident92 Ų9275.5 Ų75.535%0.34738%0.377SS..Hα-helixtrans-65.3-45.2169.8-179.3-175.3174.8150.13.5111.3K114 L115 Y116 Q120 N121 E125K114-R118 WeakPolarHBondContact O-CB 3.45Å; K114-R118 PolarHBondContact O-N 3.03Å; L115-R118 WeakPolarHBondContact O-CB 3.44Å; L115-R118 PolarHBondContact O-N 3.16Å; Y116-R118 VanDerWaalsContact C-N 3.31Å; Y116-R118 PolarHBondContact O-N 3.21Å; R118-Q120 VanDerWaalsContact C-N 3.26Å; R118-Q120 PolarHBondContact O-N 3.1Å; R118-N121 PolarHBondContact O-N 3Å; R118-E125 IonicContact CZ-OE1 2.8Å; R118-E125 VanDerWaalsContact CZ-OE1 3.29Å; R118-E125 IonicContact CZ-OE2 3.08Å; R118-E125 VanDerWaalsContact NH1-CG 3.35Å; R118-E125 IonicContact NH1-OE1 3.55Å; R118-E125 PolarHBondContact NH1-OE1 3.4Å; R118-E125 IonicContact NH1-OE2 2.85Å; R118-E125 IonicContact NH2-OE1 2.73Å; R118-E125 PolarHBondContact NH2-OE1 3.41Å; R118-E125 IonicContact NH2-OE2 2.74Å; R118-E125 PolarHBondContact NH2-OE2 2.91Å; R118-E125 VanDerWaalsContact NH2-OE2 3.08Å
119E85.6Confident82.9Confident145 Ų14575.4 Ų75.468%0.67838%0.381SS*.Hα-helixtrans-62.9-33.7177.8-74.1177.6-179.800112.4L115 Y116 N121L115-E119 PolarHBondContact O-N 2.94Å; Y116-E119 PolarHBondContact O-N 2.92Å; E119-N121 PolarHBondContact O-N 3.38Å
120Q81Confident82.7Confident108 Ų10879.3 Ų79.351%0.50540%0.402SS..THydrogen-bonded Turntrans-79.74.1173.9-61.9-53.2-52.100113.8Y116 R118 V122Y116-Q120 HydrophobicContact CE1-CG 4.21Å; Y116-Q120 HydrophobicContact CE2-CG 4.38Å; Y116-Q120 WeakPolarHBondContact O-CG 3.48Å; Y116-Q120 PolarHBondContact O-N 3.49Å; R118-Q120 VanDerWaalsContact C-N 3.26Å; R118-Q120 PolarHBondContact O-N 3.1Å; Q120-V122 HydrophobicContact CB-CG2 3.84Å; Q120-V122 PolarHBondContact O-N 3.26Å
121N82.5Confident82.5Confident147 Ų14779.9 Ų79.979%0.78642%0.416SS*.THydrogen-bonded Turntrans55.725.5-175.4-62.8-55.8000114.5L117 R118 E119L117-N121 PolarHBondContact O-N 3.36Å; R118-N121 PolarHBondContact O-N 3Å; E119-N121 PolarHBondContact O-N 3.38Å
122V82.3Confident82.6Confident26 Ų2673.7 Ų73.716%0.15839%0.388CS..SBendtrans-80.4-30.3177.1-176.80000111.1T69 L84 L117 Q120T69-V122 HydrophobicContact CG2-CG1 3.9Å; T69-V122 HydrophobicContact CG2-CG2 3.82Å; L84-V122 HydrophobicContact CD1-CG1 4.09Å; L117-V122 HydrophobicContact CB-CB 4.42Å; L117-V122 HydrophobicContact CD2-CB 4.18Å; L117-V122 HydrophobicContact CD2-CG1 4.32Å; L117-V122 HydrophobicContact CD2-CG2 4.29Å; L117-V122 PolarHBondContact O-N 2.93Å; Q120-V122 HydrophobicContact CB-CG2 3.84Å; Q120-V122 PolarHBondContact O-N 3.26Å
123I84.1Confident82.8Confident6 Ų666.8 Ų66.83%0.03136%0.36CS..SBendtrans-131.2139.9-174.9-60.1175.7000109.6L84 L109 L117 Q127 L132L84-I123 HydrophobicContact CD1-CD1 3.64Å; L84-I123 HydrophobicContact CD1-CG1 3.57Å; L84-I123 HydrophobicContact CD2-CD1 4.18Å; L109-I123 HydrophobicContact CD1-CD1 4.09Å; L117-I123 HydrophobicContact CB-CB 4.42Å; L117-I123 HydrophobicContact CB-CD1 3.51Å; L117-I123 HydrophobicContact CB-CG1 3.96Å; L117-I123 HydrophobicContact CD1-CD1 3.46Å; L117-I123 VanDerWaalsContact CD1-CD1 3.46Å; L117-I123 HydrophobicContact CD1-CG1 4.49Å; L117-I123 HydrophobicContact CG-CD1 4.09Å; L117-I123 PolarHBondContact O-N 3.31Å; I123-Q127 HydrophobicContact CG2-CB 3.32Å; I123-Q127 HydrophobicContact CG2-CG 4.45Å; I123-L132 HydrophobicContact CD1-CD1 3.57Å; I123-L132 HydrophobicContact CG1-CD1 4.3Å; I123-L132 HydrophobicContact CG2-CD1 3.76Å
124T84Confident83Confident72 Ų7266.9 Ų66.944%0.44236%0.36SS..  trans-79162.4175.468.70000112.8T126 Q127 C128T124-T126 PolarHBondContact O-N 3.46Å; T124-T126 PolarHBondContact OG1-OG1 3.27Å; T124-Q127 PolarHBondContact O-N 2.7Å; T124-Q127 VanDerWaalsContact OG1-CG 3.31Å; T124-Q127 WeakPolarHBondContact OG1-CG 3.45Å; T124-Q127 PolarHBondContact OG1-N 2.86Å; T124-Q127 PolarHBondContact OG1-OE1 3.42Å; T124-C128 PolarHBondContact O-N 3.28Å; T124-C128 VanDerWaalsContact O-N 3.08Å; T124-C128 PolarHBondContact O-SG 3.26Å
125E80Confident83.3Confident121 Ų12165.5 Ų65.557%0.56535%0.354SS*.Hα-helixtrans-57.8-35.1175.3175.9155.6-130.200113.1R118 C128R118-E125 IonicContact CZ-OE1 2.8Å; R118-E125 VanDerWaalsContact CZ-OE1 3.29Å; R118-E125 IonicContact CZ-OE2 3.08Å; R118-E125 VanDerWaalsContact NH1-CG 3.35Å; R118-E125 IonicContact NH1-OE1 3.55Å; R118-E125 PolarHBondContact NH1-OE1 3.4Å; R118-E125 IonicContact NH1-OE2 2.85Å; R118-E125 IonicContact NH2-OE1 2.73Å; R118-E125 PolarHBondContact NH2-OE1 3.41Å; R118-E125 IonicContact NH2-OE2 2.74Å; R118-E125 PolarHBondContact NH2-OE2 2.91Å; R118-E125 VanDerWaalsContact NH2-OE2 3.08Å; E125-C128 WeakPolarHBondContact O-CB 3.22Å; E125-C128 PolarHBondContact O-N 3.4Å
126T79.1Confident83.6Confident103 Ų10364.5 Ų64.563%0.63235%0.345SS*.Hα-helixtrans-72.4-30.3176.252.40000112.6T124 T129T124-T126 PolarHBondContact O-N 3.46Å; T124-T126 PolarHBondContact OG1-OG1 3.27Å; T126-T129 PolarHBondContact O-OG1 3.31Å
127Q79.7Confident83.8Confident78 Ų7861.7 Ų61.736%0.36433%0.334SS..Hα-helixtrans-77.6-22.9175.3-72.4171.7-29.900112.5I123 T124 T129 L130 L132I123-Q127 HydrophobicContact CG2-CB 3.32Å; I123-Q127 HydrophobicContact CG2-CG 4.45Å; T124-Q127 PolarHBondContact O-N 2.7Å; T124-Q127 VanDerWaalsContact OG1-CG 3.31Å; T124-Q127 WeakPolarHBondContact OG1-CG 3.45Å; T124-Q127 PolarHBondContact OG1-N 2.86Å; T124-Q127 PolarHBondContact OG1-OE1 3.42Å; Q127-T129 PolarHBondContact O-N 3.38Å; Q127-L130 HydrophobicContact CG-CD1 4.41Å; Q127-L130 WeakPolarHBondContact O-CB 3.49Å; Q127-L130 PolarHBondContact O-N 3.39Å; Q127-L130 VanDerWaalsContact O-N 3.07Å; Q127-L132 HydrophobicContact CB-CD1 4.35Å; Q127-L132 WeakPolarHBondContact O-CD1 3.02Å
128C76.1Confident84Confident24 Ų2464.9 Ų64.916%0.16235%0.352CS..Hα-helixtrans-63-27.9175.7-69.50000113.3K114 T124 E125 L130K114-C128 WeakPolarHBondContact CD-O 3.34Å; T124-C128 PolarHBondContact O-N 3.28Å; T124-C128 VanDerWaalsContact O-N 3.08Å; T124-C128 PolarHBondContact O-SG 3.26Å; E125-C128 WeakPolarHBondContact O-CB 3.22Å; E125-C128 PolarHBondContact O-N 3.4Å; C128-L130 VanDerWaalsContact C-N 3.31Å
129T74.9Confident84.3Confident121 Ų12162.7 Ų62.774%0.74235%0.345SS*.THydrogen-bonded Turntrans-82.4-11.2177.361.80000112.6T126 Q127T126-T129 PolarHBondContact O-OG1 3.31Å; Q127-T129 PolarHBondContact O-N 3.38Å
130L81.4Confident84.4Confident95 Ų9555.8 Ų55.850%0.49731%0.313SS..SBendtrans-83155.2177-58.9176.1000111.7K114 Q127 C128 L132K114-L130 PolarHBondContact NZ-O 2.97Å; Q127-L130 HydrophobicContact CG-CD1 4.41Å; Q127-L130 WeakPolarHBondContact O-CB 3.49Å; Q127-L130 PolarHBondContact O-N 3.39Å; Q127-L130 VanDerWaalsContact O-N 3.07Å; C128-L130 VanDerWaalsContact C-N 3.31Å; L130-L132 HydrophobicContact CB-CD2 4.29Å; L130-L132 HydrophobicContact CB-CG 4.39Å; L130-L132 PolarHBondContact O-N 3.35Å
131G81.1Confident84.9Confident69 Ų6952.5 Ų52.571%0.71130%0.298SS*.  trans-77.170.4173.100000111.6
132L85.4Confident85.2Confident9 Ų950.5 Ų50.55%0.04729%0.288CS..  trans-73.5143.9179.2-61.9178.6000111.8E86 L109 I123 Q127 L130E86-L132 HydrophobicContact CG-CD2 3.92Å; L109-L132 HydrophobicContact CD1-CB 3.44Å; L109-L132 VanDerWaalsContact CD1-CB 3.44Å; L109-L132 HydrophobicContact CD1-CD1 3.98Å; L109-L132 HydrophobicContact CD1-CG 4.38Å; L109-L132 HydrophobicContact CG-CB 4.14Å; L109-L132 PolarHBondContact N-O 3.48Å; I123-L132 HydrophobicContact CD1-CD1 3.57Å; I123-L132 HydrophobicContact CG1-CD1 4.3Å; I123-L132 HydrophobicContact CG2-CD1 3.76Å; Q127-L132 HydrophobicContact CB-CD1 4.35Å; Q127-L132 WeakPolarHBondContact O-CD1 3.02Å; L130-L132 HydrophobicContact CB-CD2 4.29Å; L130-L132 HydrophobicContact CB-CG 4.39Å; L130-L132 PolarHBondContact O-N 3.35Å
133T88.7Confident85.5Confident16 Ų1650.1 Ų50.110%0.09829%0.285CS..EExtended strand (participates in β ladder)trans-121.1136.8-175.947.40000111.3Q85 E86 D108Q85-T133 WeakPolarHBondContact CB-O 3.49Å; Q85-T133 WeakPolarHBondContact CB-OG1 3.36Å; Q85-T133 PolarHBondContact N-O 3.33Å; Q85-T133 PolarHBondContact NE2-OG1 3.34Å; Q85-T133 VanDerWaalsContact NE2-OG1 3.11Å; E86-T133 PolarHBondContact OE1-N 3.4Å; E86-T133 PolarHBondContact OE1-OG1 2.94Å; E86-T133 VanDerWaalsContact OE1-OG1 3.09Å; D108-T133 WeakPolarHBondContact OD1-CG2 3.43Å
134A90.4Very high85.8Confident1 Ų149.9 Ų49.91%0.00828%0.283CS..EExtended strand (participates in β ladder)trans-99.6140.8175.800000110.9Y71 Y82 M83 R107 L109Y71-A134 VanDerWaalsContact OH-CB 3.3Å; Y71-A134 WeakPolarHBondContact OH-CB 3.23Å; Y82-A134 HydrophobicContact CD1-CB 4.15Å; M83-A134 WeakPolarHBondContact O-CA 3.32Å; R107-A134 PolarHBondContact N-O 2.64Å; R107-A134 PolarHBondContact O-N 2.84Å; L109-A134 HydrophobicContact CD2-CB 3.77Å
135L91.6Very high86.1Confident1 Ų150.5 Ų50.51%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-117146.8171.5-55.9175.8000108.6Y82 M83 Q85 V88 F97 M104 E105 R106 V140Y82-L135 CarbonylContact C-O 2.91Å; Y82-L135 VanDerWaalsContact CA-O 3.23Å; Y82-L135 WeakPolarHBondContact CA-O 3.46Å; M83-L135 PolarHBondContact N-O 2.86Å; M83-L135 PolarHBondContact O-N 2.86Å; Q85-L135 HydrophobicContact CB-CD1 4.01Å; Q85-L135 HydrophobicContact CB-CD2 4.42Å; Q85-L135 HydrophobicContact CB-CG 3.98Å; Q85-L135 HydrophobicContact CG-CD1 4.03Å; Q85-L135 HydrophobicContact CG-CD2 4.44Å; Q85-L135 HydrophobicContact CG-CG 4.32Å; V88-L135 HydrophobicContact CB-CD1 4.44Å; V88-L135 HydrophobicContact CG1-CD1 4.46Å; V88-L135 HydrophobicContact CG2-CD1 4.42Å; F97-L135 HydrophobicContact CD1-CD1 4.33Å; F97-L135 HydrophobicContact CE1-CD1 3.49Å; F97-L135 VanDerWaalsContact CE1-CD1 3.49Å; F97-L135 HydrophobicContact CE1-CD2 4.29Å; F97-L135 HydrophobicContact CZ-CD1 3.7Å; M104-L135 HydrophobicContact CG-CD2 4.05Å; M104-L135 HydrophobicContact SD-CD1 3.83Å; M104-L135 HydrophobicContact SD-CD2 3.97Å; M104-L135 HydrophobicContact SD-CG 4.36Å; E105-L135 WeakPolarHBondContact O-CD2 3.16Å; R106-L135 HydrophobicContact CG-CD2 3.7Å; L135-V140 HydrophobicContact CB-CG2 3.58Å; L135-V140 HydrophobicContact CD1-CG2 3.76Å; L135-V140 HydrophobicContact CG-CG2 4.35Å
136R90.8Very high86.5Confident58 Ų5853.2 Ų53.222%0.21929%0.293CS..EExtended strand (participates in β ladder)trans-67.9134.6174.2-64.3177.462.9-108.3-9.2109.9E80 Y82 D138 E139 V140E80-R136 IonicContact OE2-NE 2.86Å; Y82-R136 HydrophobicContact CD1-CG 4.19Å; Y82-R136 HydrophobicContact CE1-CG 3.65Å; R136-D138 VanDerWaalsContact C-N 3.34Å; R136-D138 VanDerWaalsContact CB-OD1 3.24Å; R136-D138 WeakPolarHBondContact CB-OD1 3.46Å; R136-D138 IonicContact CZ-OD1 3.08Å; R136-D138 IonicContact CZ-OD2 3.99Å; R136-D138 IonicContact NE-OD1 2.72Å; R136-D138 IonicContact NH1-OD1 3.05Å; R136-D138 PolarHBondContact NH1-OD1 2.93Å; R136-D138 IonicContact NH1-OD2 2.89Å; R136-D138 PolarHBondContact NH1-OD2 3.43Å; R136-D138 IonicContact NH2-OD1 3.33Å; R136-D138 PolarHBondContact NH2-OD1 3.35Å; R136-D138 VanDerWaalsContact NH2-OD1 3.16Å; R136-D138 IonicContact NH2-OD2 2.77Å; R136-D138 PolarHBondContact NH2-OD2 2.88Å; R136-D138 PolarHBondContact O-N 2.97Å; R136-E139 HydrophobicContact CB-CG 4.43Å; R136-E139 IonicContact CZ-OE1 3.58Å; R136-E139 IonicContact NH1-OE1 3.41Å; R136-E139 PolarHBondContact NH1-OE1 2.86Å; R136-E139 PolarHBondContact O-N 3.33Å; R136-V140 WeakPolarHBondContact O-CG2 3.31Å; R136-V140 PolarHBondContact O-N 3.21Å
137S90.7Very high87Confident3 Ų352.9 Ų52.92%0.02129%0.285CS..Hα-helixtrans-61-40.7-173.9-750000113.4E70 Y81 Y82 V140 I141E70-S137 WeakPolarHBondContact CG-OG 3.41Å; E70-S137 WeakPolarHBondContact OE1-CB 3.39Å; E70-S137 PolarHBondContact OE1-OG 3.09Å; Y81-S137 VanDerWaalsContact C-OG 3.25Å; Y81-S137 WeakPolarHBondContact CB-OG 3.43Å; Y81-S137 WeakPolarHBondContact O-CB 3.4Å; Y81-S137 PolarHBondContact O-N 2.78Å; Y81-S137 PolarHBondContact O-OG 3.2Å; Y82-S137 PolarHBondContact N-OG 3.2Å; S137-V140 PolarHBondContact O-N 3.41Å; S137-I141 WeakPolarHBondContact O-CD1 3.49Å; S137-I141 WeakPolarHBondContact O-CG1 3.26Å; S137-I141 PolarHBondContact O-N 3.08Å
138D90.1Very high87.5Confident68 Ų6851.2 Ų51.236%0.36428%0.275SS..Hα-helixtrans-61.7-45179.959.1-37.9000111.7R136 V140 I141 D142R136-D138 VanDerWaalsContact C-N 3.34Å; R136-D138 VanDerWaalsContact CB-OD1 3.24Å; R136-D138 WeakPolarHBondContact CB-OD1 3.46Å; R136-D138 IonicContact CZ-OD1 3.08Å; R136-D138 IonicContact CZ-OD2 3.99Å; R136-D138 IonicContact NE-OD1 2.72Å; R136-D138 IonicContact NH1-OD1 3.05Å; R136-D138 PolarHBondContact NH1-OD1 2.93Å; R136-D138 IonicContact NH1-OD2 2.89Å; R136-D138 PolarHBondContact NH1-OD2 3.43Å; R136-D138 IonicContact NH2-OD1 3.33Å; R136-D138 PolarHBondContact NH2-OD1 3.35Å; R136-D138 VanDerWaalsContact NH2-OD1 3.16Å; R136-D138 IonicContact NH2-OD2 2.77Å; R136-D138 PolarHBondContact NH2-OD2 2.88Å; R136-D138 PolarHBondContact O-N 2.97Å; D138-V140 VanDerWaalsContact C-N 3.32Å; D138-V140 PolarHBondContact O-N 2.77Å; D138-I141 PolarHBondContact O-N 3.07Å; D138-D142 WeakPolarHBondContact O-CB 3.28Å; D138-D142 PolarHBondContact O-N 3.42Å
139E90Very high88.1Confident45 Ų4554.3 Ų54.321%0.2130%0.295CS..Hα-helixtrans-63.4-37.4176.8-71.5179.1-15200112.7M104 E105 R136 L143M104-E139 HydrophobicContact CE-CB 4.47Å; E105-E139 PolarHBondContact N-OE2 3.24Å; R136-E139 HydrophobicContact CB-CG 4.43Å; R136-E139 IonicContact CZ-OE1 3.58Å; R136-E139 IonicContact NH1-OE1 3.41Å; R136-E139 PolarHBondContact NH1-OE1 2.86Å; R136-E139 PolarHBondContact O-N 3.33Å; E139-L143 WeakPolarHBondContact O-CB 3.24Å; E139-L143 PolarHBondContact O-N 3.26Å
140V89.4Confident88.6Confident1 Ų151.8 Ų51.81%0.00629%0.286CS..Hα-helixtrans-69.5-41.5177.5176.80000110.6M83 V88 M104 L135 R136 S137 D138 L143 M144M83-V140 HydrophobicContact SD-CB 4.26Å; M83-V140 HydrophobicContact SD-CG1 3.91Å; V88-V140 HydrophobicContact CG1-CG1 3.81Å; V88-V140 HydrophobicContact CG2-CG1 3.81Å; V88-V140 HydrophobicContact CG2-CG2 4.37Å; M104-V140 HydrophobicContact SD-CG2 4.46Å; L135-V140 HydrophobicContact CB-CG2 3.58Å; L135-V140 HydrophobicContact CD1-CG2 3.76Å; L135-V140 HydrophobicContact CG-CG2 4.35Å; R136-V140 WeakPolarHBondContact O-CG2 3.31Å; R136-V140 PolarHBondContact O-N 3.21Å; S137-V140 PolarHBondContact O-N 3.41Å; D138-V140 VanDerWaalsContact C-N 3.32Å; D138-V140 PolarHBondContact O-N 2.77Å; V140-L143 PolarHBondContact O-N 3.06Å; V140-M144 HydrophobicContact CG1-CE 3.69Å; V140-M144 WeakPolarHBondContact O-CG 3.45Å; V140-M144 PolarHBondContact O-N 2.8Å
141I89.6Confident88.8Confident38 Ų3849.8 Ų49.820%0.19527%0.274CS..Hα-helixtrans-64.4-46.8177.3-68.6164.1000110.4M83 S137 D138 L143 M144 I145M83-I141 HydrophobicContact CE-CD1 4.21Å; M83-I141 HydrophobicContact CE-CG1 4.14Å; S137-I141 WeakPolarHBondContact O-CD1 3.49Å; S137-I141 WeakPolarHBondContact O-CG1 3.26Å; S137-I141 PolarHBondContact O-N 3.08Å; D138-I141 PolarHBondContact O-N 3.07Å; I141-L143 VanDerWaalsContact C-N 3.29Å; I141-L143 PolarHBondContact O-N 2.91Å; I141-M144 HydrophobicContact CG1-CE 4.31Å; I141-M144 PolarHBondContact O-N 2.85Å; I141-M144 VanDerWaalsContact O-N 3.08Å; I141-I145 HydrophobicContact CG2-CD1 3.84Å; I141-I145 HydrophobicContact CG2-CG1 4.41Å; I141-I145 WeakPolarHBondContact O-CG1 3.48Å; I141-I145 PolarHBondContact O-N 2.9Å
142D89.4Confident89.2Confident106 Ų10648.4 Ų48.457%0.56725%0.248SC*.Hα-helixtrans-59.6-40.8177.1-78.7-12.5000111.9D138 I145 K146D138-D142 WeakPolarHBondContact O-CB 3.28Å; D138-D142 PolarHBondContact O-N 3.42Å; D142-I145 PolarHBondContact O-N 3.28Å; D142-K146 WeakPolarHBondContact O-CB 3.24Å; D142-K146 PolarHBondContact O-N 3.36Å
143L89.9Confident89.2Confident18 Ų1850.5 Ų50.59%0.09427%0.267CS..Hα-helixtrans-62.7-44.2173.6179.5147.3000111.8L92 Y101 M104 E139 V140 I141 K146 E147 Y148L92-L143 HydrophobicContact CD1-CD2 3.72Å; Y101-L143 HydrophobicContact CD1-CD1 3.5Å; Y101-L143 VanDerWaalsContact CD1-CD1 3.5Å; Y101-L143 HydrophobicContact CD2-CD1 3.88Å; Y101-L143 HydrophobicContact CE1-CD1 3.54Å; Y101-L143 HydrophobicContact CE1-CG 4.32Å; Y101-L143 HydrophobicContact CE2-CD1 3.91Å; Y101-L143 HydrophobicContact CE2-CD2 4.47Å; Y101-L143 HydrophobicContact CG-CD1 3.68Å; M104-L143 HydrophobicContact CE-CB 4.12Å; M104-L143 HydrophobicContact CE-CD1 3.37Å; M104-L143 HydrophobicContact CE-CG 4.36Å; E139-L143 WeakPolarHBondContact O-CB 3.24Å; E139-L143 PolarHBondContact O-N 3.26Å; V140-L143 PolarHBondContact O-N 3.06Å; I141-L143 VanDerWaalsContact C-N 3.29Å; I141-L143 PolarHBondContact O-N 2.91Å; L143-K146 PolarHBondContact O-N 2.87Å; L143-E147 PolarHBondContact O-N 3.45Å; L143-Y148 HydrophobicContact CD2-CD2 4.13Å; L143-Y148 HydrophobicContact CD2-CE2 4.02Å
144M89.5Confident89.1Confident0 Ų053.2 Ų53.20%028%0.279CS..Hα-helixtrans-63.7-40.9177.9-74.6-167.2-80.600111.7L68 Y91 L92 V140 I141 K146 Y148 H152 Y155L68-M144 HydrophobicContact CD2-CE 4.05Å; L68-M144 HydrophobicContact CD2-SD 4.42Å; Y91-M144 HydrophobicContact CD1-SD 4.21Å; Y91-M144 HydrophobicContact CE1-SD 4.01Å; L92-M144 HydrophobicContact CD1-CG 4.41Å; L92-M144 HydrophobicContact CD2-CG 4.02Å; L92-M144 HydrophobicContact CD2-SD 4.26Å; V140-M144 HydrophobicContact CG1-CE 3.69Å; V140-M144 WeakPolarHBondContact O-CG 3.45Å; V140-M144 PolarHBondContact O-N 2.8Å; I141-M144 HydrophobicContact CG1-CE 4.31Å; I141-M144 PolarHBondContact O-N 2.85Å; I141-M144 VanDerWaalsContact O-N 3.08Å; M144-K146 VanDerWaalsContact C-N 3.34Å; M144-K146 PolarHBondContact O-N 3.48Å; M144-Y148 CarbonylContact O-C 3.49Å; M144-Y148 VanDerWaalsContact O-CA 3.3Å; M144-Y148 WeakPolarHBondContact O-CA 3.3Å; M144-Y148 PolarHBondContact O-N 3.26Å; M144-Y148 VanDerWaalsContact O-O 3.06Å; M144-H152 HydrophobicContact CB-CB 4Å; M144-Y155 HydrophobicContact CE-CD1 3.82Å; M144-Y155 HydrophobicContact CE-CE1 4.07Å; M144-Y155 HydrophobicContact CE-CG 4.47Å
145I89.6Confident88.9Confident85 Ų8553.1 Ų53.144%0.43628%0.278SS..Hα-helixtrans-61.6-44.4176.1-67.9166.7000110.7I141 D142 H152I141-I145 HydrophobicContact CG2-CD1 3.84Å; I141-I145 HydrophobicContact CG2-CG1 4.41Å; I141-I145 WeakPolarHBondContact O-CG1 3.48Å; I141-I145 PolarHBondContact O-N 2.9Å; D142-I145 PolarHBondContact O-N 3.28Å; I145-H152 VanDerWaalsContact CG1-CD2 3.47Å; I145-H152 WeakPolarHBondContact CG1-CD2 3.36Å; I145-H152 WeakPolarHBondContact CG1-NE2 3.16Å
146K89.4Confident88.6Confident178 Ų17854.4 Ų54.477%0.77429%0.288SS*.Hα-helixtrans-76.2-43.7-173-170.9178.4-179.6-177.90113.4D142 L143 M144D142-K146 WeakPolarHBondContact O-CB 3.24Å; D142-K146 PolarHBondContact O-N 3.36Å; L143-K146 PolarHBondContact O-N 2.87Å; M144-K146 VanDerWaalsContact C-N 3.34Å; M144-K146 PolarHBondContact O-N 3.48Å
147E90.1Very high88.4Confident97 Ų9756 Ų5645%0.45330%0.303SS..Hα-helixtrans-109.4-21.7-171.1-64.6-164.1-17900114.4Y101 L143Y101-E147 WeakPolarHBondContact CE1-OE2 3.43Å; Y101-E147 VanDerWaalsContact CZ-OE2 3.27Å; Y101-E147 PolarHBondContact OH-OE2 2.97Å; L143-E147 PolarHBondContact O-N 3.45Å
148Y89.3Confident88.1Confident42 Ų4257.8 Ų57.817%0.16531%0.312CS..  trans-136.859.6-176.3-53.1-92.4000112.7L92 K100 Y101 L143 M144 A150 K151 H152L92-Y148 HydrophobicContact CD1-CD2 4.29Å; L92-Y148 HydrophobicContact CD1-CE2 4.21Å; L92-Y148 HydrophobicContact CD2-CD1 4.43Å; L92-Y148 HydrophobicContact CD2-CD2 4.02Å; L92-Y148 HydrophobicContact CD2-CG 3.97Å; K100-Y148 WeakPolarHBondContact CE-OH 3.33Å; K100-Y148 PolarHBondContact NZ-OH 2.76Å; Y101-Y148 VanDerWaalsContact OH-CE2 3.31Å; Y101-Y148 WeakPolarHBondContact OH-CE2 3.42Å; Y101-Y148 PolarHBondContact OH-OH 3.39Å; L143-Y148 HydrophobicContact CD2-CD2 4.13Å; L143-Y148 HydrophobicContact CD2-CE2 4.02Å; M144-Y148 CarbonylContact O-C 3.49Å; M144-Y148 VanDerWaalsContact O-CA 3.3Å; M144-Y148 WeakPolarHBondContact O-CA 3.3Å; M144-Y148 PolarHBondContact O-N 3.26Å; M144-Y148 VanDerWaalsContact O-O 3.06Å; Y148-A150 PolarHBondContact O-N 2.74Å; Y148-A150 VanDerWaalsContact O-N 3.13Å; Y148-K151 PolarHBondContact O-N 2.95Å; Y148-H152 PolarHBondContact O-N 2.69Å
149P88.1Confident87.8Confident89 Ų8956.9 Ų56.958%0.57831%0.307SS*.Hα-helixtrans-59.3-31.8-172.522.8-34.4000113.8A153P149-A153 WeakPolarHBondContact O-CB 3.27Å; P149-A153 PolarHBondContact O-N 2.91Å
150A86.8Confident87.4Confident68 Ų6861.4 Ų61.456%0.56233%0.328SS*.Hα-helixtrans-67-41.9175.100000112.4Y148 A153 E154Y148-A150 PolarHBondContact O-N 2.74Å; Y148-A150 VanDerWaalsContact O-N 3.13Å; A150-A153 PolarHBondContact O-N 2.97Å; A150-E154 PolarHBondContact O-N 3.16Å; A150-E154 VanDerWaalsContact O-N 3.15Å
151K85.6Confident87.1Confident53 Ų5364.2 Ų64.223%0.2334%0.341CS..Hα-helixtrans-69.3-39.5175.2-67.6-64.6-179.1-1720111.5Y91 L92 Y148 A153 E154 Y155Y91-K151 HydrophobicContact CE1-CB 3.85Å; Y91-K151 HydrophobicContact CE1-CD 4.26Å; Y91-K151 HydrophobicContact CE2-CD 4.1Å; Y91-K151 WeakPolarHBondContact OH-CA 3.34Å; Y91-K151 PolarHBondContact OH-O 3.26Å; L92-K151 HydrophobicContact CD2-CB 4.27Å; Y148-K151 PolarHBondContact O-N 2.95Å; K151-A153 VanDerWaalsContact C-N 3.31Å; K151-A153 PolarHBondContact O-N 3Å; K151-E154 IonicContact NZ-OE1 3.48Å; K151-E154 IonicContact NZ-OE2 2.68Å; K151-E154 PolarHBondContact NZ-OE2 2.87Å; K151-E154 PolarHBondContact O-N 3Å; K151-Y155 WeakPolarHBondContact O-CB 3.4Å; K151-Y155 PolarHBondContact O-N 2.77Å
152H88.1Confident86.6Confident40 Ų4066.4 Ų66.419%0.18535%0.347CS..Hα-helixtrans-59.2-41.6171.9-179.9-99.6000112.4M144 I145 Y148 Y155 S156M144-H152 HydrophobicContact CB-CB 4Å; I145-H152 VanDerWaalsContact CG1-CD2 3.47Å; I145-H152 WeakPolarHBondContact CG1-CD2 3.36Å; I145-H152 WeakPolarHBondContact CG1-NE2 3.16Å; Y148-H152 PolarHBondContact O-N 2.69Å; H152-Y155 PolarHBondContact O-N 3.37Å; H152-S156 PolarHBondContact CE1-OG 3.43Å; H152-S156 PolarHBondContact ND1-OG 2.85Å; H152-S156 PolarHBondContact NE2-OG 3.12Å; H152-S156 WeakPolarHBondContact O-CB 3.29Å; H152-S156 PolarHBondContact O-N 3.33Å; H152-S156 PolarHBondContact O-OG 2.74Å
153A86.9Confident86.2Confident54 Ų5465 Ų6545%0.44634%0.337SS..Hα-helixtrans-63.4-43.8178.100000112P149 A150 K151 S156 V157P149-A153 WeakPolarHBondContact O-CB 3.27Å; P149-A153 PolarHBondContact O-N 2.91Å; A150-A153 PolarHBondContact O-N 2.97Å; K151-A153 VanDerWaalsContact C-N 3.31Å; K151-A153 PolarHBondContact O-N 3Å; A153-S156 PolarHBondContact O-N 3.42Å; A153-V157 PolarHBondContact O-N 3.37Å
154E86.8Confident85.6Confident72 Ų7271.4 Ų71.434%0.33636%0.36SS..Hα-helixtrans-58.1-48.1172.4-72.3171.1-163.700111.4A65 Y91 A150 K151 S156 V157 I158A65-E154 HydrophobicContact CB-CB 4.32Å; Y91-E154 WeakPolarHBondContact OH-CB 3.42Å; Y91-E154 PolarHBondContact OH-OE2 3.41Å; A150-E154 PolarHBondContact O-N 3.16Å; A150-E154 VanDerWaalsContact O-N 3.15Å; K151-E154 IonicContact NZ-OE1 3.48Å; K151-E154 IonicContact NZ-OE2 2.68Å; K151-E154 PolarHBondContact NZ-OE2 2.87Å; K151-E154 PolarHBondContact O-N 3Å; E154-S156 PolarHBondContact O-N 3.25Å; E154-V157 PolarHBondContact O-N 2.68Å; E154-I158 PolarHBondContact O-N 3.48Å
155Y85.3Confident85.1Confident0 Ų075.3 Ų75.30%038%0.378CS..Hα-helixtrans-66.9-35.5-179.9-174.7-116.6000113.2A65 L68 M83 M144 K151 H152 V157 I158 L159A65-Y155 HydrophobicContact CB-CD2 4.44Å; L68-Y155 HydrophobicContact CB-CD2 4.15Å; L68-Y155 HydrophobicContact CB-CE2 3.73Å; L68-Y155 HydrophobicContact CD2-CD2 3.84Å; L68-Y155 HydrophobicContact CD2-CE1 4.28Å; L68-Y155 HydrophobicContact CD2-CE2 3.61Å; L68-Y155 HydrophobicContact CD2-CG 4.28Å; L68-Y155 HydrophobicContact CG-CD2 4.43Å; L68-Y155 HydrophobicContact CG-CE2 3.86Å; M83-Y155 HydrophobicContact CE-CE1 3.89Å; M83-Y155 WeakPolarHBondContact CE-OH 3.28Å; M144-Y155 HydrophobicContact CE-CD1 3.82Å; M144-Y155 HydrophobicContact CE-CE1 4.07Å; M144-Y155 HydrophobicContact CE-CG 4.47Å; K151-Y155 WeakPolarHBondContact O-CB 3.4Å; K151-Y155 PolarHBondContact O-N 2.77Å; H152-Y155 PolarHBondContact O-N 3.37Å; Y155-V157 VanDerWaalsContact C-N 3.29Å; Y155-V157 PolarHBondContact O-N 2.9Å; Y155-I158 WeakPolarHBondContact O-CB 3.41Å; Y155-I158 PolarHBondContact O-N 2.88Å; Y155-I158 VanDerWaalsContact O-N 3.1Å; Y155-L159 HydrophobicContact CD1-CD1 3.89Å; Y155-L159 HydrophobicContact CD1-CG 4.16Å; Y155-L159 HydrophobicContact CE1-CD1 3.54Å; Y155-L159 HydrophobicContact CE1-CD2 4.07Å; Y155-L159 HydrophobicContact CE1-CG 3.77Å; Y155-L159 HydrophobicContact CE2-CD2 4.49Å; Y155-L159 HydrophobicContact CE2-CG 4.44Å; Y155-L159 PolarHBondContact O-N 2.99Å
156S84.9Confident84.7Confident28 Ų2876.8 Ų76.820%0.19638%0.378CS..Hα-helixtrans-60.5-38.8177.2-65.20000112.1H152 A153 E154 I158 L159 Q160H152-S156 PolarHBondContact CE1-OG 3.43Å; H152-S156 PolarHBondContact ND1-OG 2.85Å; H152-S156 PolarHBondContact NE2-OG 3.12Å; H152-S156 WeakPolarHBondContact O-CB 3.29Å; H152-S156 PolarHBondContact O-N 3.33Å; H152-S156 PolarHBondContact O-OG 2.74Å; A153-S156 PolarHBondContact O-N 3.42Å; E154-S156 PolarHBondContact O-N 3.25Å; S156-I158 VanDerWaalsContact C-N 3.33Å; S156-L159 PolarHBondContact O-N 3.48Å; S156-Q160 WeakPolarHBondContact O-CG 3.39Å; S156-Q160 PolarHBondContact O-N 3.3Å
157V86.6Confident84.1Confident91 Ų9172.6 Ų72.655%0.55236%0.363SS*.Hα-helixtrans-64.4-40.7175.7175.10000110.6A153 E154 Y155 Q160 E161A153-V157 PolarHBondContact O-N 3.37Å; E154-V157 PolarHBondContact O-N 2.68Å; Y155-V157 VanDerWaalsContact C-N 3.29Å; Y155-V157 PolarHBondContact O-N 2.9Å; V157-Q160 PolarHBondContact O-N 2.69Å; V157-E161 WeakPolarHBondContact O-CB 3.48Å; V157-E161 PolarHBondContact O-N 3.13Å
158I85.1Confident83.5Confident41 Ų4171.1 Ų71.121%0.2136%0.361CS..Hα-helixtrans-65.1-41.9176.5-61.5-56.6000111.5A65 E66 E154 Y155 S156 E161 R162A65-I158 HydrophobicContact CB-CG1 3.87Å; E66-I158 HydrophobicContact CB-CD1 4.29Å; E154-I158 PolarHBondContact O-N 3.48Å; Y155-I158 WeakPolarHBondContact O-CB 3.41Å; Y155-I158 PolarHBondContact O-N 2.88Å; Y155-I158 VanDerWaalsContact O-N 3.1Å; S156-I158 VanDerWaalsContact C-N 3.33Å; I158-E161 PolarHBondContact O-N 3.36Å; I158-R162 HydrophobicContact CG2-CG 4.48Å; I158-R162 WeakPolarHBondContact O-CB 3.44Å; I158-R162 WeakPolarHBondContact O-CG 3.47Å; I158-R162 PolarHBondContact O-N 3.28Å
159L82.8Confident82.9Confident49 Ų4975.5 Ų75.526%0.25738%0.381SS..Hα-helixtrans-60.6-47.1175.3-75.1178.6000111.5Y155 S156 E161 R162 E163Y155-L159 HydrophobicContact CD1-CD1 3.89Å; Y155-L159 HydrophobicContact CD1-CG 4.16Å; Y155-L159 HydrophobicContact CE1-CD1 3.54Å; Y155-L159 HydrophobicContact CE1-CD2 4.07Å; Y155-L159 HydrophobicContact CE1-CG 3.77Å; Y155-L159 HydrophobicContact CE2-CD2 4.49Å; Y155-L159 HydrophobicContact CE2-CG 4.44Å; Y155-L159 PolarHBondContact O-N 2.99Å; S156-L159 PolarHBondContact O-N 3.48Å; L159-E161 VanDerWaalsContact C-N 3.32Å; L159-E161 PolarHBondContact O-N 2.91Å; L159-R162 PolarHBondContact O-N 3.2Å; L159-E163 WeakPolarHBondContact O-CB 3.27Å; L159-E163 PolarHBondContact O-N 2.93Å
160Q81.8Confident82.1Confident140 Ų14076.3 Ų76.365%0.65438%0.377SS*.Hα-helixtrans-61.6-40.5176.8-72.4176.83.900112S156 V157 E163 R164S156-Q160 WeakPolarHBondContact O-CG 3.39Å; S156-Q160 PolarHBondContact O-N 3.3Å; V157-Q160 PolarHBondContact O-N 2.69Å; Q160-E163 PolarHBondContact O-N 3.37Å; Q160-R164 VanDerWaalsContact O-CB 3.26Å; Q160-R164 WeakPolarHBondContact O-CB 3.38Å; Q160-R164 PolarHBondContact O-N 3.01Å
161E82.8Confident81.3Confident59 Ų5980.5 Ų80.528%0.27638%0.38SS..Hα-helixtrans-66.7-43.2177.7-178.654.5-149.100112.1V157 I158 L159 R164 Q165V157-E161 WeakPolarHBondContact O-CB 3.48Å; V157-E161 PolarHBondContact O-N 3.13Å; I158-E161 PolarHBondContact O-N 3.36Å; L159-E161 VanDerWaalsContact C-N 3.32Å; L159-E161 PolarHBondContact O-N 2.91Å; E161-R164 PolarHBondContact O-N 3.36Å; E161-R164 IonicContact OE1-CZ 3.22Å; E161-R164 IonicContact OE1-NE 3.89Å; E161-R164 IonicContact OE1-NH2 3.88Å; E161-R164 PolarHBondContact OE1-NH2 3.18Å; E161-R164 IonicContact OE2-CZ 2.87Å; E161-R164 IonicContact OE2-NE 3.29Å; E161-R164 PolarHBondContact OE2-NE 2.77Å; E161-R164 IonicContact OE2-NH2 3.9Å; E161-R164 PolarHBondContact OE2-NH2 2.89Å; E161-Q165 WeakPolarHBondContact O-CB 3.46Å; E161-Q165 VanDerWaalsContact O-CG 3.28Å; E161-Q165 WeakPolarHBondContact O-CG 3.37Å; E161-Q165 PolarHBondContact O-N 3.39Å; E161-Q165 PolarHBondContact OE1-NE2 2.94Å
162R80.8Confident80.6Confident84 Ų8481.4 Ų81.432%0.31739%0.387SS..Hα-helixtrans-62.8-42.6175.1-77.7179.3176.9169.40.4111.7E66 L68 I158 L159 Q165 R166E66-R162 PolarHBondContact O-NH2 3.35Å; L68-R162 PolarHBondContact O-NH1 2.81Å; L68-R162 PolarHBondContact O-NH2 3.22Å; I158-R162 HydrophobicContact CG2-CG 4.48Å; I158-R162 WeakPolarHBondContact O-CB 3.44Å; I158-R162 WeakPolarHBondContact O-CG 3.47Å; I158-R162 PolarHBondContact O-N 3.28Å; L159-R162 PolarHBondContact O-N 3.2Å; R162-Q165 PolarHBondContact O-N 2.65Å; R162-R166 PolarHBondContact O-N 3.49Å
163E79.4Confident79.7Confident76 Ų7684.2 Ų84.236%0.35541%0.407SS..Hα-helixtrans-65.2-43.3176.6-178.256.1-160.500111.4L159 Q160 Q165 R166 I167L159-E163 WeakPolarHBondContact O-CB 3.27Å; L159-E163 PolarHBondContact O-N 2.93Å; Q160-E163 PolarHBondContact O-N 3.37Å; E163-Q165 VanDerWaalsContact C-N 3.3Å; E163-Q165 PolarHBondContact O-N 3.26Å; E163-R166 WeakPolarHBondContact O-CB 3.25Å; E163-R166 PolarHBondContact O-N 3.03Å; E163-R166 VanDerWaalsContact O-N 3.13Å; E163-R166 IonicContact OE1-CZ 3.66Å; E163-R166 IonicContact OE1-NE 3.83Å; E163-R166 PolarHBondContact OE1-NE 3.08Å; E163-R166 IonicContact OE1-NH2 2.65Å; E163-R166 PolarHBondContact OE1-NH2 2.97Å; E163-R166 IonicContact OE2-CZ 3.38Å; E163-R166 IonicContact OE2-NE 3.63Å; E163-R166 PolarHBondContact OE2-NE 2.86Å; E163-R166 IonicContact OE2-NH2 3.78Å; E163-R166 PolarHBondContact OE2-NH2 3.13Å; E163-I167 HydrophobicContact CG-CD1 4.13Å; E163-I167 WeakPolarHBondContact O-CG1 3.35Å; E163-I167 PolarHBondContact O-N 3.4Å
164R78.4Confident78.6Confident153 Ų15384.9 Ų84.958%0.57741%0.408SS*.Hα-helixtrans-58-41.9173-172.6-178.474.4133.44.8111.7Q160 E161 T168Q160-R164 VanDerWaalsContact O-CB 3.26Å; Q160-R164 WeakPolarHBondContact O-CB 3.38Å; Q160-R164 PolarHBondContact O-N 3.01Å; E161-R164 PolarHBondContact O-N 3.36Å; E161-R164 IonicContact OE1-CZ 3.22Å; E161-R164 IonicContact OE1-NE 3.89Å; E161-R164 IonicContact OE1-NH2 3.88Å; E161-R164 PolarHBondContact OE1-NH2 3.18Å; E161-R164 IonicContact OE2-CZ 2.87Å; E161-R164 IonicContact OE2-NE 3.29Å; E161-R164 PolarHBondContact OE2-NE 2.77Å; E161-R164 IonicContact OE2-NH2 3.9Å; E161-R164 PolarHBondContact OE2-NH2 2.89Å; R164-T168 VanDerWaalsContact O-CB 3.27Å; R164-T168 WeakPolarHBondContact O-CB 2.91Å; R164-T168 PolarHBondContact O-N 3.05Å; R164-T168 PolarHBondContact O-OG1 2.72Å
165Q79.1Confident77.3Confident83 Ų8383.5 Ų83.539%0.38841%0.405SS..Hα-helixtrans-68.1-37.4175.7-72.8176.520.900112.5E161 R162 E163 T168 K169E161-Q165 WeakPolarHBondContact O-CB 3.46Å; E161-Q165 VanDerWaalsContact O-CG 3.28Å; E161-Q165 WeakPolarHBondContact O-CG 3.37Å; E161-Q165 PolarHBondContact O-N 3.39Å; E161-Q165 PolarHBondContact OE1-NE2 2.94Å; R162-Q165 PolarHBondContact O-N 2.65Å; E163-Q165 VanDerWaalsContact C-N 3.3Å; E163-Q165 PolarHBondContact O-N 3.26Å; Q165-T168 PolarHBondContact O-N 3.21Å; Q165-K169 WeakPolarHBondContact O-CB 3.48Å; Q165-K169 VanDerWaalsContact O-CG 3.25Å; Q165-K169 WeakPolarHBondContact O-CG 3.35Å; Q165-K169 PolarHBondContact O-N 3.44Å
166R80.3Confident76.1Confident115 Ų11587.8 Ų87.843%0.43443%0.427SS..Hα-helixtrans-62.4-50.9174.9-171.3-176.170.691.9-5.8110.7R162 E163 T168 K169 E170R162-R166 PolarHBondContact O-N 3.49Å; E163-R166 WeakPolarHBondContact O-CB 3.25Å; E163-R166 PolarHBondContact O-N 3.03Å; E163-R166 VanDerWaalsContact O-N 3.13Å; E163-R166 IonicContact OE1-CZ 3.66Å; E163-R166 IonicContact OE1-NE 3.83Å; E163-R166 PolarHBondContact OE1-NE 3.08Å; E163-R166 IonicContact OE1-NH2 2.65Å; E163-R166 PolarHBondContact OE1-NH2 2.97Å; E163-R166 IonicContact OE2-CZ 3.38Å; E163-R166 IonicContact OE2-NE 3.63Å; E163-R166 PolarHBondContact OE2-NE 2.86Å; E163-R166 IonicContact OE2-NH2 3.78Å; E163-R166 PolarHBondContact OE2-NH2 3.13Å; R166-T168 VanDerWaalsContact C-N 3.29Å; R166-T168 PolarHBondContact O-N 3.23Å; R166-K169 PolarHBondContact O-N 3.17Å; R166-K169 VanDerWaalsContact O-N 3.15Å; R166-E170 IonicContact CZ-OE1 3.17Å; R166-E170 IonicContact NH1-OE1 3.26Å; R166-E170 PolarHBondContact NH1-OE1 3.46Å; R166-E170 IonicContact NH1-OE2 3.16Å; R166-E170 PolarHBondContact O-N 2.92Å
167I77.3Confident74.9Confident90 Ų9089.6 Ų89.646%0.46244%0.44SS..Hα-helixtrans-58.6-43.9175.7-66.3168.4000110.4E163 K169 E170 Y171E163-I167 HydrophobicContact CG-CD1 4.13Å; E163-I167 WeakPolarHBondContact O-CG1 3.35Å; E163-I167 PolarHBondContact O-N 3.4Å; I167-K169 PolarHBondContact O-N 3.38Å; I167-E170 PolarHBondContact O-N 2.73Å; I167-Y171 VanDerWaalsContact O-CB 3.23Å; I167-Y171 WeakPolarHBondContact O-CB 3.42Å; I167-Y171 PolarHBondContact O-N 3.05Å
168T77.3Confident73.5Confident66 Ų6688.5 Ų88.541%0.40543%0.433SS..Hα-helixtrans-64.7-39.5178.2-58.40000111.6R164 Q165 R166 N172R164-T168 VanDerWaalsContact O-CB 3.27Å; R164-T168 WeakPolarHBondContact O-CB 2.91Å; R164-T168 PolarHBondContact O-N 3.05Å; R164-T168 PolarHBondContact O-OG1 2.72Å; Q165-T168 PolarHBondContact O-N 3.21Å; R166-T168 VanDerWaalsContact C-N 3.29Å; R166-T168 PolarHBondContact O-N 3.23Å; T168-N172 WeakPolarHBondContact O-CB 3Å; T168-N172 PolarHBondContact O-N 2.98Å; T168-N172 PolarHBondContact O-ND2 3.49Å
169K76.3Confident71.9Confident134 Ų13491.2 Ų91.258%0.58345%0.445SS*.Hα-helixtrans-67.3-43.7175.2-76.7171.4-175.9173.30111.5Q165 R166 I167 N172 V173Q165-K169 WeakPolarHBondContact O-CB 3.48Å; Q165-K169 VanDerWaalsContact O-CG 3.25Å; Q165-K169 WeakPolarHBondContact O-CG 3.35Å; Q165-K169 PolarHBondContact O-N 3.44Å; R166-K169 PolarHBondContact O-N 3.17Å; R166-K169 VanDerWaalsContact O-N 3.15Å; I167-K169 PolarHBondContact O-N 3.38Å; K169-N172 CarbonylContact O-C 3.57Å; K169-N172 PolarHBondContact O-N 3.42Å; K169-V173 WeakPolarHBondContact O-CB 3.43Å; K169-V173 VanDerWaalsContact O-CG2 3.24Å; K169-V173 WeakPolarHBondContact O-CG2 3.34Å; K169-V173 PolarHBondContact O-N 2.93Å
170E72.6Confident70.5Confident107 Ų10795 Ų9550%0.546%0.463SS..Hα-helixtrans-62.7-44.6174.8-76.4177.1-169.800111.6R166 I167 N172 V173 S174R166-E170 IonicContact CZ-OE1 3.17Å; R166-E170 IonicContact NH1-OE1 3.26Å; R166-E170 PolarHBondContact NH1-OE1 3.46Å; R166-E170 IonicContact NH1-OE2 3.16Å; R166-E170 PolarHBondContact O-N 2.92Å; I167-E170 PolarHBondContact O-N 2.73Å; E170-N172 VanDerWaalsContact C-N 3.35Å; E170-N172 PolarHBondContact O-N 3.46Å; E170-V173 PolarHBondContact O-N 3.2Å; E170-S174 VanDerWaalsContact O-CB 3.22Å; E170-S174 WeakPolarHBondContact O-CB 3.19Å; E170-S174 PolarHBondContact O-N 3.38Å
171Y69.6Low69.1Low155 Ų15596.8 Ų96.861%0.60847%0.471SS*.Hα-helixtrans-62.3-41.8173.6-175.6-96.5000111.6I167 S174 T175I167-Y171 VanDerWaalsContact O-CB 3.23Å; I167-Y171 WeakPolarHBondContact O-CB 3.42Å; I167-Y171 PolarHBondContact O-N 3.05Å; Y171-S174 PolarHBondContact O-N 2.78Å; Y171-T175 HydrophobicContact CD1-CG2 4.16Å; Y171-T175 HydrophobicContact CE1-CG2 3.71Å; Y171-T175 HydrophobicContact CE2-CG2 4.26Å; Y171-T175 WeakPolarHBondContact O-CB 3.45Å; Y171-T175 WeakPolarHBondContact O-CG2 3.44Å; Y171-T175 PolarHBondContact O-N 3.2Å; Y171-T175 PolarHBondContact O-OG1 3.07Å
172N69.8Low67.8Low73 Ų73100.2 Ų100.239%0.3949%0.487SS..Hα-helixtrans-67.8-39.4176.2-77.9-21000112.2T168 K169 E170 T175 L176T168-N172 WeakPolarHBondContact O-CB 3Å; T168-N172 PolarHBondContact O-N 2.98Å; T168-N172 PolarHBondContact O-ND2 3.49Å; K169-N172 CarbonylContact O-C 3.57Å; K169-N172 PolarHBondContact O-N 3.42Å; E170-N172 VanDerWaalsContact C-N 3.35Å; E170-N172 PolarHBondContact O-N 3.46Å; N172-T175 VanDerWaalsContact CA-OG1 3.23Å; N172-T175 WeakPolarHBondContact CA-OG1 3.41Å; N172-T175 PolarHBondContact O-N 3.49Å; N172-T175 PolarHBondContact O-OG1 3.27Å; N172-L176 WeakPolarHBondContact O-CA 3.45Å; N172-L176 WeakPolarHBondContact O-CB 3.23Å; N172-L176 WeakPolarHBondContact O-CD1 3.24Å; N172-L176 WeakPolarHBondContact O-CG 3.15Å; N172-L176 PolarHBondContact O-N 3.38Å
173V70.1Confident66Low98 Ų98102.5 Ų102.559%0.59450%0.501SS*.Hα-helixtrans-68.4-39.6175.1169.50000110.4K169 E170 S177K169-V173 WeakPolarHBondContact O-CB 3.43Å; K169-V173 VanDerWaalsContact O-CG2 3.24Å; K169-V173 WeakPolarHBondContact O-CG2 3.34Å; K169-V173 PolarHBondContact O-N 2.93Å; E170-V173 PolarHBondContact O-N 3.2Å; V173-S177 WeakPolarHBondContact O-CB 3.39Å; V173-S177 PolarHBondContact O-N 2.84Å; V173-S177 PolarHBondContact O-OG 3.15Å
174S63.1Low64.1Low68 Ų68104.3 Ų104.348%0.47651%0.514SS..Hα-helixtrans-64.6-44173.8-173.30000111.7E170 Y171 S177 V178E170-S174 VanDerWaalsContact O-CB 3.22Å; E170-S174 WeakPolarHBondContact O-CB 3.19Å; E170-S174 PolarHBondContact O-N 3.38Å; Y171-S174 PolarHBondContact O-N 2.78Å; S174-S177 WeakPolarHBondContact CA-OG 3.23Å; S174-S177 PolarHBondContact O-OG 2.75Å; S174-V178 WeakPolarHBondContact O-CB 3.35Å; S174-V178 WeakPolarHBondContact O-CG2 3.27Å; S174-V178 PolarHBondContact O-N 2.7Å; S174-V178 VanDerWaalsContact O-N 3.07Å
175T59.9Low62.5Low44 Ų44102.8 Ų102.827%0.2752%0.523SS..Hα-helixtrans-73.3-35.7176.445.80000113.2Y171 N172 V178 Q179Y171-T175 HydrophobicContact CD1-CG2 4.16Å; Y171-T175 HydrophobicContact CE1-CG2 3.71Å; Y171-T175 HydrophobicContact CE2-CG2 4.26Å; Y171-T175 WeakPolarHBondContact O-CB 3.45Å; Y171-T175 WeakPolarHBondContact O-CG2 3.44Å; Y171-T175 PolarHBondContact O-N 3.2Å; Y171-T175 PolarHBondContact O-OG1 3.07Å; N172-T175 VanDerWaalsContact CA-OG1 3.23Å; N172-T175 WeakPolarHBondContact CA-OG1 3.41Å; N172-T175 PolarHBondContact O-N 3.49Å; N172-T175 PolarHBondContact O-OG1 3.27Å; T175-V178 CarbonylContact O-C 3.58Å; T175-V178 PolarHBondContact O-N 3.28Å; T175-Q179 WeakPolarHBondContact O-CB 3.27Å; T175-Q179 WeakPolarHBondContact O-CG 2.9Å; T175-Q179 PolarHBondContact O-N 2.81Å
176L60.7Low61Low90 Ų90105 Ų10547%0.47153%0.534SS..Hα-helixtrans-70.6-35.9174.2-77.8164.9000111.8N172 V178 Q179 M180N172-L176 WeakPolarHBondContact O-CA 3.45Å; N172-L176 WeakPolarHBondContact O-CB 3.23Å; N172-L176 WeakPolarHBondContact O-CD1 3.24Å; N172-L176 WeakPolarHBondContact O-CG 3.15Å; N172-L176 PolarHBondContact O-N 3.38Å; L176-V178 VanDerWaalsContact C-N 3.33Å; L176-Q179 CarbonylContact O-C 3.52Å; L176-Q179 PolarHBondContact O-N 3.01Å; L176-M180 WeakPolarHBondContact O-CB 3.5Å; L176-M180 VanDerWaalsContact O-CG 3.29Å; L176-M180 WeakPolarHBondContact O-CG 3.16Å; L176-M180 PolarHBondContact O-N 3.01Å
177S58.7Low59.6Low66 Ų66108.8 Ų108.846%0.46255%0.553SS.*Hα-helixtrans-68-35.3172.358.50000111.5V173 S174 Q179 Q181V173-S177 WeakPolarHBondContact O-CB 3.39Å; V173-S177 PolarHBondContact O-N 2.84Å; V173-S177 PolarHBondContact O-OG 3.15Å; S174-S177 WeakPolarHBondContact CA-OG 3.23Å; S174-S177 PolarHBondContact O-OG 2.75Å; S177-Q179 VanDerWaalsContact C-N 3.35Å; S177-Q181 PolarHBondContact O-N 3.48Å
178V56.7Low58.7Low67 Ų67109.2 Ų109.241%0.40656%0.56SS.*Hα-helixtrans-67.5-32.1169171.20000112.4S174 T175 L176 Q182S174-V178 WeakPolarHBondContact O-CB 3.35Å; S174-V178 WeakPolarHBondContact O-CG2 3.27Å; S174-V178 PolarHBondContact O-N 2.7Å; S174-V178 VanDerWaalsContact O-N 3.07Å; T175-V178 CarbonylContact O-C 3.58Å; T175-V178 PolarHBondContact O-N 3.28Å; L176-V178 VanDerWaalsContact C-N 3.33Å; V178-Q182 PolarHBondContact O-NE2 3.31Å
179Q53.5Low57.8Low98 Ų98111.1 Ų111.146%0.45856%0.564SS.*Hα-helixtrans-81.9-30.5175.6-84.5179.2-20.300113.9T175 L176 S177 Q181 Q182 Q183T175-Q179 WeakPolarHBondContact O-CB 3.27Å; T175-Q179 WeakPolarHBondContact O-CG 2.9Å; T175-Q179 PolarHBondContact O-N 2.81Å; L176-Q179 CarbonylContact O-C 3.52Å; L176-Q179 PolarHBondContact O-N 3.01Å; S177-Q179 VanDerWaalsContact C-N 3.35Å; Q179-Q181 VanDerWaalsContact C-N 3.26Å; Q179-Q181 PolarHBondContact O-N 3.13Å; Q179-Q182 CarbonylContact O-C 3.57Å; Q179-Q182 VanDerWaalsContact O-CA 3.28Å; Q179-Q182 WeakPolarHBondContact O-CA 3.28Å; Q179-Q182 WeakPolarHBondContact O-CB 3.22Å; Q179-Q182 PolarHBondContact O-N 3.37Å; Q179-Q183 PolarHBondContact O-N 3.23Å
180M52.1Low57.4Low130 Ų130108.8 Ų108.864%0.6457%0.57SS**Hα-helixtrans-68.5-27.2175-79.5-113.768.300111.5L176 Q182L176-M180 WeakPolarHBondContact O-CB 3.5Å; L176-M180 VanDerWaalsContact O-CG 3.29Å; L176-M180 WeakPolarHBondContact O-CG 3.16Å; L176-M180 PolarHBondContact O-N 3.01Å; M180-Q182 PolarHBondContact O-N 3.01Å
181Q53.3Low57.3Low177 Ų177108.9 Ų108.983%0.82758%0.583SS**THydrogen-bonded Turntrans-69.3-9.6164-92.3177.93.800114.1S177 Q179S177-Q181 PolarHBondContact O-N 3.48Å; Q179-Q181 VanDerWaalsContact C-N 3.26Å; Q179-Q181 PolarHBondContact O-N 3.13Å
182Q54.3Low57.5Low131 Ų131105.2 Ų105.261%0.61257%0.57SS**THydrogen-bonded Turntrans-116.4-3.8-178.7-69.217356.500113.9V178 Q179 M180 N184V178-Q182 PolarHBondContact O-NE2 3.31Å; Q179-Q182 CarbonylContact O-C 3.57Å; Q179-Q182 VanDerWaalsContact O-CA 3.28Å; Q179-Q182 WeakPolarHBondContact O-CA 3.28Å; Q179-Q182 WeakPolarHBondContact O-CB 3.22Å; Q179-Q182 PolarHBondContact O-N 3.37Å; M180-Q182 PolarHBondContact O-N 3.01Å; Q182-N184 PolarHBondContact O-N 2.88Å
183Q44.2Very low57.8Low131 Ų131104.5 Ų104.561%0.61257%0.568SS**  trans-95.438.6-178.6-79.1-1712.700114.4Q179Q179-Q183 PolarHBondContact O-N 3.23Å
184N38.5Very low58.3Low114 Ų114103.9 Ų103.961%0.6157%0.566SS**SBendtrans-101.6110140.7-163.1-0.2000105.7Q182 Q186Q182-N184 PolarHBondContact O-N 2.88Å; N184-Q186 PolarHBondContact O-N 3.43Å
185P45.7Very low58.9Low121 Ų121107 Ų10779%0.78657%0.573SS**  trans-70.461.216831-32.4000108.8K187P185-K187 PolarHBondContact O-N 2.86Å
186Q48.1Very low59.8Low130 Ų130111 Ų11161%0.60758%0.584SS**  trans-61.2119.3156.8-83.8-172.6-45.300105.1N184 V188N184-Q186 PolarHBondContact O-N 3.43Å; Q186-V188 PolarHBondContact O-N 3.05Å
187K50.7Low61Low194 Ų194111.9 Ų111.984%0.84359%0.588SS**  trans-31113.1157.9-83.3177.8172.3179.10107P185 E189P185-K187 PolarHBondContact O-N 2.86Å; K187-E189 VanDerWaalsContact C-N 3.31Å; K187-E189 PolarHBondContact O-N 2.81Å
188V57.6Low62.3Low99 Ų99116.6 Ų116.660%0.660%0.6SS**  trans-58.2104.5-179.4-1720000105.3Q186 A190 V193 Y196Q186-V188 PolarHBondContact O-N 3.05Å; V188-A190 PolarHBondContact O-N 3.07Å; V188-A190 VanDerWaalsContact O-N 3.14Å; V188-V193 HydrophobicContact CG1-CG2 3.93Å; V188-Y196 HydrophobicContact CG1-CD2 4.01Å; V188-Y196 HydrophobicContact CG1-CE2 3.86Å
189E59.4Low63.8Low106 Ų106119.5 Ų119.550%0.49561%0.607SS.*  trans-58.8124-179-74.9-178145.700106.6K187 S191 K192 V193K187-E189 VanDerWaalsContact C-N 3.31Å; K187-E189 PolarHBondContact O-N 2.81Å; E189-S191 PolarHBondContact O-N 3.33Å; E189-K192 HydrophobicContact CB-CD 4.43Å; E189-K192 HydrophobicContact CB-CG 4.49Å; E189-K192 PolarHBondContact O-N 2.95Å; E189-K192 VanDerWaalsContact OE2-CE 3.26Å; E189-K192 WeakPolarHBondContact OE2-CE 3.45Å; E189-K192 IonicContact OE2-NZ 3.47Å; E189-K192 PolarHBondContact OE2-NZ 3.07Å; E189-V193 PolarHBondContact O-N 3.27Å
190A66.6Low65.4Low86 Ų86117.6 Ų117.671%0.71161%0.609SS**G310 helixtrans-52.6-29.5-177.700000111.8V188 K192 V193V188-A190 PolarHBondContact O-N 3.07Å; V188-A190 VanDerWaalsContact O-N 3.14Å; A190-K192 VanDerWaalsContact C-N 3.32Å; A190-K192 PolarHBondContact O-N 2.99Å; A190-V193 PolarHBondContact O-N 3.46Å
191S70.6Confident67.2Low109 Ų109114.2 Ų114.276%0.76260%0.602SS**G310 helixtrans-65.2-25.2174.9-56.30000115.1E189E189-S191 PolarHBondContact O-N 3.33Å
192K74.4Confident69Low77 Ų77112.1 Ų112.134%0.33559%0.59SS.*G310 helixtrans-96.8-10.7-179.2-69.6175.5176.9149.10113.4E189 A190 P194 E195 Y196E189-K192 HydrophobicContact CB-CD 4.43Å; E189-K192 HydrophobicContact CB-CG 4.49Å; E189-K192 PolarHBondContact O-N 2.95Å; E189-K192 VanDerWaalsContact OE2-CE 3.26Å; E189-K192 WeakPolarHBondContact OE2-CE 3.45Å; E189-K192 IonicContact OE2-NZ 3.47Å; E189-K192 PolarHBondContact OE2-NZ 3.07Å; A190-K192 VanDerWaalsContact C-N 3.32Å; A190-K192 PolarHBondContact O-N 2.99Å; K192-P194 VanDerWaalsContact C-CD 3.42Å; K192-P194 VanDerWaalsContact C-N 3.32Å; K192-E195 WeakPolarHBondContact O-CB 3.37Å; K192-E195 PolarHBondContact O-N 2.94Å; K192-Y196 HydrophobicContact CB-CD2 4.22Å; K192-Y196 HydrophobicContact CB-CE2 3.74Å; K192-Y196 WeakPolarHBondContact O-CD2 3.42Å; K192-Y196 PolarHBondContact O-N 2.9Å; K192-Y196 VanDerWaalsContact O-N 3.13Å
193V76.8Confident70.9Confident59 Ų59111.4 Ų111.436%0.35858%0.584SS.*Hα-helixtrans-52.5-42.1176.3177.40000112.7V188 E189 A190 E195 Y196 I197V188-V193 HydrophobicContact CG1-CG2 3.93Å; E189-V193 PolarHBondContact O-N 3.27Å; A190-V193 PolarHBondContact O-N 3.46Å; V193-E195 VanDerWaalsContact C-N 3.3Å; V193-E195 PolarHBondContact O-N 2.85Å; V193-Y196 PolarHBondContact O-N 3.3Å; V193-I197 HydrophobicContact CG1-CD1 3.87Å; V193-I197 HydrophobicContact CG1-CG1 4.4Å; V193-I197 WeakPolarHBondContact O-CG1 3.42Å; V193-I197 PolarHBondContact O-N 3.45Å
194P80.1Confident73.2Confident84 Ų84107.5 Ų107.555%0.54558%0.575SS.*Hα-helixtrans-61-35.5175.6-2435.4000113.7K192 K198K192-P194 VanDerWaalsContact C-CD 3.42Å; K192-P194 VanDerWaalsContact C-N 3.32Å; P194-K198 WeakPolarHBondContact O-CB 3.5Å; P194-K198 PolarHBondContact O-N 2.66Å
195E75.6Confident75.8Confident133 Ų133104.9 Ų104.962%0.62157%0.569SS**Hα-helixtrans-70.5-39177.1-69.4-173.4146.500111.9K192 V193 K198 K199K192-E195 WeakPolarHBondContact O-CB 3.37Å; K192-E195 PolarHBondContact O-N 2.94Å; V193-E195 VanDerWaalsContact C-N 3.3Å; V193-E195 PolarHBondContact O-N 2.85Å; E195-K198 PolarHBondContact O-N 2.79Å; E195-K199 WeakPolarHBondContact O-CB 3.42Å; E195-K199 PolarHBondContact O-N 3.37Å
196Y78.5Confident78Confident130 Ų130103.9 Ų103.951%0.5155%0.554SS.*Hα-helixtrans-64.3-41.5174.3-68.5-63.9000111.9V188 K192 V193 K199 A200V188-Y196 HydrophobicContact CG1-CD2 4.01Å; V188-Y196 HydrophobicContact CG1-CE2 3.86Å; K192-Y196 HydrophobicContact CB-CD2 4.22Å; K192-Y196 HydrophobicContact CB-CE2 3.74Å; K192-Y196 WeakPolarHBondContact O-CD2 3.42Å; K192-Y196 PolarHBondContact O-N 2.9Å; K192-Y196 VanDerWaalsContact O-N 3.13Å; V193-Y196 PolarHBondContact O-N 3.3Å; Y196-K199 PolarHBondContact O-N 3.07Å; Y196-A200 WeakPolarHBondContact O-CB 3.13Å; Y196-A200 PolarHBondContact O-N 2.7Å
197I84.9Confident80.3Confident107 Ų107104.1 Ų104.155%0.54955%0.553SS.*Hα-helixtrans-61.9-45.9174.3-66.7167.7000110.1V193 K199 A200 A201V193-I197 HydrophobicContact CG1-CD1 3.87Å; V193-I197 HydrophobicContact CG1-CG1 4.4Å; V193-I197 WeakPolarHBondContact O-CG1 3.42Å; V193-I197 PolarHBondContact O-N 3.45Å; I197-K199 VanDerWaalsContact C-N 3.31Å; I197-K199 PolarHBondContact O-N 2.83Å; I197-A200 PolarHBondContact O-N 3.16Å; I197-A201 WeakPolarHBondContact O-CB 3.04Å; I197-A201 PolarHBondContact O-N 3.37Å
198K86.8Confident82.3Confident165 Ų16599.2 Ų99.272%0.71754%0.536SS*.Hα-helixtrans-61.2-39.9177-170.6175.5-177.7178.20111.9P194 E195 K202P194-K198 WeakPolarHBondContact O-CB 3.5Å; P194-K198 PolarHBondContact O-N 2.66Å; E195-K198 PolarHBondContact O-N 2.79Å; K198-K202 WeakPolarHBondContact O-CB 3.2Å; K198-K202 PolarHBondContact O-N 2.83Å
199K87.4Confident83.9Confident128 Ų12898.1 Ų98.156%0.55753%0.533SS*.Hα-helixtrans-68.5-41.4176.9-169174.3-175.9177.40111.9E195 Y196 I197 K202 K203E195-K199 WeakPolarHBondContact O-CB 3.42Å; E195-K199 PolarHBondContact O-N 3.37Å; Y196-K199 PolarHBondContact O-N 3.07Å; I197-K199 VanDerWaalsContact C-N 3.31Å; I197-K199 PolarHBondContact O-N 2.83Å; K199-K202 PolarHBondContact O-N 3.46Å; K199-K203 WeakPolarHBondContact O-CG 3.4Å; K199-K203 PolarHBondContact O-N 2.85Å
200A88.7Confident85.5Confident59 Ų5995.8 Ų95.849%0.48852%0.524SS..Hα-helixtrans-64.5-44.5175.100000111.4Y196 I197 K202 K203 A204Y196-A200 WeakPolarHBondContact O-CB 3.13Å; Y196-A200 PolarHBondContact O-N 2.7Å; I197-A200 PolarHBondContact O-N 3.16Å; A200-K202 VanDerWaalsContact C-N 3.32Å; A200-K202 PolarHBondContact O-N 2.81Å; A200-K203 PolarHBondContact O-N 3.09Å; A200-A204 WeakPolarHBondContact O-CB 3.33Å; A200-A204 PolarHBondContact O-N 3.47Å
201A89.5Confident86.6Confident59 Ų5996.2 Ų96.249%0.48851%0.51SS..Hα-helixtrans-60.8-41.117500000111.8I197 A204 A205I197-A201 WeakPolarHBondContact O-CB 3.04Å; I197-A201 PolarHBondContact O-N 3.37Å; A201-A204 PolarHBondContact O-N 3.33Å; A201-A205 WeakPolarHBondContact O-CB 3.49Å; A201-A205 PolarHBondContact O-N 3.35Å
202K90.8Very high87.4Confident133 Ų13394.4 Ų94.458%0.57849%0.492SS*.Hα-helixtrans-62-46.4175.1-165.6-169.9-177.6-1440111.8K198 K199 A200 A204 A205 E206K198-K202 WeakPolarHBondContact O-CB 3.2Å; K198-K202 PolarHBondContact O-N 2.83Å; K199-K202 PolarHBondContact O-N 3.46Å; A200-K202 VanDerWaalsContact C-N 3.32Å; A200-K202 PolarHBondContact O-N 2.81Å; K202-A204 VanDerWaalsContact C-N 3.35Å; K202-A204 PolarHBondContact O-N 2.79Å; K202-A205 WeakPolarHBondContact O-CB 3.42Å; K202-A205 PolarHBondContact O-N 3.36Å; K202-E206 WeakPolarHBondContact CE-OE1 3.39Å; K202-E206 IonicContact NZ-OE1 2.73Å; K202-E206 PolarHBondContact NZ-OE1 3.35Å; K202-E206 VanDerWaalsContact NZ-OE1 3.09Å; K202-E206 WeakPolarHBondContact O-CG 3.12Å; K202-E206 PolarHBondContact O-N 3.25Å
203K93.3Very high88Confident115 Ų11597 Ų9750%0.550%0.499SS..Hα-helixtrans-62-41.7176.8-75-174.5173.5-168.90112.4K199 A200 A205 E206 F207K199-K203 WeakPolarHBondContact O-CG 3.4Å; K199-K203 PolarHBondContact O-N 2.85Å; A200-K203 PolarHBondContact O-N 3.09Å; K203-A205 VanDerWaalsContact C-N 3.32Å; K203-A205 PolarHBondContact O-N 3.42Å; K203-E206 PolarHBondContact O-N 3.34Å; K203-F207 WeakPolarHBondContact O-CB 3.5Å; K203-F207 PolarHBondContact O-N 3.33Å
204A93.4Very high88.4Confident50 Ų5097 Ų9741%0.41350%0.495SS..Hα-helixtrans-63.4-39.8175.400000111.6A200 A201 K202 F207 N208A200-A204 WeakPolarHBondContact O-CB 3.33Å; A200-A204 PolarHBondContact O-N 3.47Å; A201-A204 PolarHBondContact O-N 3.33Å; K202-A204 VanDerWaalsContact C-N 3.35Å; K202-A204 PolarHBondContact O-N 2.79Å; A204-F207 PolarHBondContact O-N 3.22Å; A204-N208 WeakPolarHBondContact O-CB 3.26Å; A204-N208 VanDerWaalsContact O-CG 3.23Å; A204-N208 PolarHBondContact O-N 2.92Å; A204-N208 PolarHBondContact O-ND2 2.67Å
205A93.4Very high88.7Confident59 Ų5998.3 Ų98.349%0.48849%0.489SS..Hα-helixtrans-65.7-42.8175.100000112.3A201 K202 K203 N208 S209A201-A205 WeakPolarHBondContact O-CB 3.49Å; A201-A205 PolarHBondContact O-N 3.35Å; K202-A205 WeakPolarHBondContact O-CB 3.42Å; K202-A205 PolarHBondContact O-N 3.36Å; K203-A205 VanDerWaalsContact C-N 3.32Å; K203-A205 PolarHBondContact O-N 3.42Å; A205-N208 PolarHBondContact O-N 3.17Å; A205-S209 VanDerWaalsContact O-CB 3.32Å; A205-S209 WeakPolarHBondContact O-CB 3.42Å; A205-S209 PolarHBondContact O-N 3.5Å
206E91.9Very high88.9Confident100 Ų10098.3 Ų98.347%0.46749%0.491SS..Hα-helixtrans-61-45.3175-73.7167.6-175.400111.1K202 K203 S209 N210K202-E206 WeakPolarHBondContact CE-OE1 3.39Å; K202-E206 IonicContact NZ-OE1 2.73Å; K202-E206 PolarHBondContact NZ-OE1 3.35Å; K202-E206 VanDerWaalsContact NZ-OE1 3.09Å; K202-E206 WeakPolarHBondContact O-CG 3.12Å; K202-E206 PolarHBondContact O-N 3.25Å; K203-E206 PolarHBondContact O-N 3.34Å; E206-S209 WeakPolarHBondContact O-CB 3.33Å; E206-S209 PolarHBondContact O-N 3.43Å; E206-N210 WeakPolarHBondContact O-CB 3.41Å; E206-N210 PolarHBondContact O-N 2.88Å
207F95.6Very high89.1Confident135 Ų13598.2 Ų98.259%0.59250%0.495SS*.Hα-helixtrans-61.4-48.7174.7178.7-94.8000112.1K203 A204 S209 N210 F211K203-F207 WeakPolarHBondContact O-CB 3.5Å; K203-F207 PolarHBondContact O-N 3.33Å; A204-F207 PolarHBondContact O-N 3.22Å; F207-S209 VanDerWaalsContact C-N 3.26Å; F207-S209 PolarHBondContact O-N 2.89Å; F207-N210 PolarHBondContact O-N 3.34Å; F207-F211 HydrophobicContact CE1-CB 4.42Å; F207-F211 VanDerWaalsContact O-CB 3.28Å; F207-F211 WeakPolarHBondContact O-CB 3.33Å; F207-F211 PolarHBondContact O-N 2.81Å
208N93.9Very high88.7Confident91 Ų9199.6 Ų99.649%0.48750%0.499SS..Hα-helixtrans-61.8-36.2178.4-75.5-14.7000112.1A204 A205 N212A204-N208 WeakPolarHBondContact O-CB 3.26Å; A204-N208 VanDerWaalsContact O-CG 3.23Å; A204-N208 PolarHBondContact O-N 2.92Å; A204-N208 PolarHBondContact O-ND2 2.67Å; A205-N208 PolarHBondContact O-N 3.17Å; N208-N212 WeakPolarHBondContact O-CB 3.49Å; N208-N212 PolarHBondContact O-N 3.22Å; N208-N212 VanDerWaalsContact O-N 3.07Å; N208-N212 PolarHBondContact O-ND2 3.47Å
209S91Very high88.4Confident76 Ų7698.2 Ų98.253%0.53149%0.489SS..Hα-helixtrans-64.3-51.4174.5-174.90000110.6A205 E206 F207 F211 N212 R213A205-S209 VanDerWaalsContact O-CB 3.32Å; A205-S209 WeakPolarHBondContact O-CB 3.42Å; A205-S209 PolarHBondContact O-N 3.5Å; E206-S209 WeakPolarHBondContact O-CB 3.33Å; E206-S209 PolarHBondContact O-N 3.43Å; F207-S209 VanDerWaalsContact C-N 3.26Å; F207-S209 PolarHBondContact O-N 2.89Å; S209-F211 PolarHBondContact O-N 3.48Å; S209-N212 PolarHBondContact O-N 2.93Å; S209-R213 WeakPolarHBondContact O-CB 3.47Å; S209-R213 PolarHBondContact O-N 2.9Å
210N91.5Very high87.9Confident56 Ų56100.3 Ų100.330%0.29949%0.494SS..Hα-helixtrans-63.3-43.8-179.5-162.961.7000112.2E206 F207 N212 R213 E214E206-N210 WeakPolarHBondContact O-CB 3.41Å; E206-N210 PolarHBondContact O-N 2.88Å; F207-N210 PolarHBondContact O-N 3.34Å; N210-N212 VanDerWaalsContact C-N 3.35Å; N210-N212 PolarHBondContact O-N 3.34Å; N210-R213 WeakPolarHBondContact O-CB 3.36Å; N210-R213 PolarHBondContact O-N 3.39Å; N210-R213 VanDerWaalsContact O-N 3.17Å; N210-R213 PolarHBondContact OD1-NE 3.48Å; N210-R213 PolarHBondContact OD1-NH2 2.91Å; N210-E214 PolarHBondContact ND2-OE1 3.5Å; N210-E214 PolarHBondContact O-N 3.36Å
211F91.3Very high87.8Confident96 Ų96100 Ų10042%0.42149%0.491SS..Hα-helixtrans-61.6-41.6177.1-178.6-98000112.3F207 S209 R213 R215F207-F211 HydrophobicContact CE1-CB 4.42Å; F207-F211 VanDerWaalsContact O-CB 3.28Å; F207-F211 WeakPolarHBondContact O-CB 3.33Å; F207-F211 PolarHBondContact O-N 2.81Å; S209-F211 PolarHBondContact O-N 3.48Å; F211-R213 VanDerWaalsContact C-N 3.35Å; F211-R215 VanDerWaalsContact O-CB 3.27Å; F211-R215 WeakPolarHBondContact O-CB 3.46Å; F211-R215 PolarHBondContact O-N 2.91Å
212N86.3Confident87.7Confident71 Ų71104.3 Ų104.338%0.3850%0.496SS..Hα-helixtrans-68.6-35.6175.5-80.2-48.4000112.3N208 S209 N210 R215 M216N208-N212 WeakPolarHBondContact O-CB 3.49Å; N208-N212 PolarHBondContact O-N 3.22Å; N208-N212 VanDerWaalsContact O-N 3.07Å; N208-N212 PolarHBondContact O-ND2 3.47Å; S209-N212 PolarHBondContact O-N 2.93Å; N210-N212 VanDerWaalsContact C-N 3.35Å; N210-N212 PolarHBondContact O-N 3.34Å; N212-R215 PolarHBondContact O-N 3.39Å; N212-M216 WeakPolarHBondContact O-CG 3.2Å; N212-M216 PolarHBondContact O-N 2.87Å
213R87.4Confident87.6Confident130 Ų130102.4 Ų102.449%0.49149%0.488SS..Hα-helixtrans-62.4-54.2173.7178.9171.958.6-168.83.5111.1S209 N210 F211 R215 M216 E217S209-R213 WeakPolarHBondContact O-CB 3.47Å; S209-R213 PolarHBondContact O-N 2.9Å; N210-R213 WeakPolarHBondContact O-CB 3.36Å; N210-R213 PolarHBondContact O-N 3.39Å; N210-R213 VanDerWaalsContact O-N 3.17Å; N210-R213 PolarHBondContact OD1-NE 3.48Å; N210-R213 PolarHBondContact OD1-NH2 2.91Å; F211-R213 VanDerWaalsContact C-N 3.35Å; R213-R215 VanDerWaalsContact C-N 3.27Å; R213-R215 PolarHBondContact O-N 3.07Å; R213-M216 CarbonylContact O-C 3.59Å; R213-M216 WeakPolarHBondContact O-CA 3.48Å; R213-M216 PolarHBondContact O-N 3.4Å; R213-E217 WeakPolarHBondContact CD-OE1 3.29Å; R213-E217 HydrophobicContact CG-CG 4.18Å; R213-E217 WeakPolarHBondContact CG-OE1 3.28Å; R213-E217 VanDerWaalsContact CG-OE2 3.26Å; R213-E217 WeakPolarHBondContact CG-OE2 3.36Å; R213-E217 WeakPolarHBondContact O-CB 3.47Å; R213-E217 WeakPolarHBondContact O-CG 3.41Å; R213-E217 PolarHBondContact O-N 2.7Å
214E85.6Confident87.6Confident59 Ų5998.8 Ų98.828%0.27647%0.474SS..Hα-helixtrans-55.9-41.4174.8-75.2176.2-157.200112.1N210 M216 E217 E218 R219N210-E214 PolarHBondContact ND2-OE1 3.5Å; N210-E214 PolarHBondContact O-N 3.36Å; E214-M216 PolarHBondContact O-N 3.02Å; E214-E217 PolarHBondContact O-N 2.81Å; E214-E218 WeakPolarHBondContact O-CB 3.42Å; E214-E218 PolarHBondContact O-N 3.43Å; E214-R219 PolarHBondContact O-N 2.98Å; E214-R219 IonicContact OE2-NH1 2.97Å; E214-R219 PolarHBondContact OE2-NH1 3.19Å
215R85.3Confident87.5Confident113 Ų113102.1 Ų102.143%0.42648%0.484SS..Hα-helixtrans-61.1-34.6176.3-171.4177.567.9100.53.5112.3F211 N212 R213 R219F211-R215 VanDerWaalsContact O-CB 3.27Å; F211-R215 WeakPolarHBondContact O-CB 3.46Å; F211-R215 PolarHBondContact O-N 2.91Å; N212-R215 PolarHBondContact O-N 3.39Å; R213-R215 VanDerWaalsContact C-N 3.27Å; R213-R215 PolarHBondContact O-N 3.07Å; R215-R219 CarbonylContact O-C 3.55Å; R215-R219 VanDerWaalsContact O-C 3.25Å
216M79.7Confident87.5Confident132 Ų132107.8 Ų107.865%0.6550%0.5SS*.Hα-helixtrans-89.9-23.3-179.6-68.9-138.2-70.600114.2N212 R213 E214 R220N212-M216 WeakPolarHBondContact O-CG 3.2Å; N212-M216 PolarHBondContact O-N 2.87Å; R213-M216 CarbonylContact O-C 3.59Å; R213-M216 WeakPolarHBondContact O-CA 3.48Å; R213-M216 PolarHBondContact O-N 3.4Å; E214-M216 PolarHBondContact O-N 3.02Å; M216-R220 WeakPolarHBondContact O-CD 3.45Å; M216-R220 WeakPolarHBondContact O-CG 3.12Å
217E82.4Confident87.5Confident129 Ų129106.3 Ų106.360%0.60350%0.498SS*.Hα-helixtrans-93.9-52.8-179.5-71.1172.5-176.900110.8R213 E214R213-E217 WeakPolarHBondContact CD-OE1 3.29Å; R213-E217 HydrophobicContact CG-CG 4.18Å; R213-E217 WeakPolarHBondContact CG-OE1 3.28Å; R213-E217 VanDerWaalsContact CG-OE2 3.26Å; R213-E217 WeakPolarHBondContact CG-OE2 3.36Å; R213-E217 WeakPolarHBondContact O-CB 3.47Å; R213-E217 WeakPolarHBondContact O-CG 3.41Å; R213-E217 PolarHBondContact O-N 2.7Å; E214-E217 PolarHBondContact O-N 2.81Å
218E78.3Confident87.3Confident135 Ų135106.5 Ų106.563%0.63150%0.501SS*.THydrogen-bonded Turntrans-94.4-36.7-172.6-57.9-177.4165.200112.9E214E214-E218 WeakPolarHBondContact O-CB 3.42Å; E214-E218 PolarHBondContact O-N 3.43Å
219R78.9Confident87.2Confident136 Ų136106.7 Ų106.751%0.51350%0.501SS..  trans-107.741.4-171.7-54-177.2-179.71002.1113.3E214 R215E214-R219 PolarHBondContact O-N 2.98Å; E214-R219 IonicContact OE2-NH1 2.97Å; E214-R219 PolarHBondContact OE2-NH1 3.19Å; R215-R219 CarbonylContact O-C 3.55Å; R215-R219 VanDerWaalsContact O-C 3.25Å
220R78.3Confident87.1Confident173 Ų173108.2 Ų108.265%0.65350%0.502SS*.SBendtrans-66-37.5-177.2-68.2-179.273.8-168.22113.6M216 P233M216-R220 WeakPolarHBondContact O-CD 3.45Å; M216-R220 WeakPolarHBondContact O-CG 3.12Å; R220-P233 WeakPolarHBondContact O-CD 3.42Å
221A85.4Confident87Confident52 Ų52110.2 Ų110.243%0.4351%0.51SS..  trans-156.6152.1176.600000107.6I230 Q231 V232A221-I230 HydrophobicContact CB-CG2 3.81Å; A221-Q231 CarbonylContact C-O 3.59Å; A221-Q231 VanDerWaalsContact CA-O 3.29Å; A221-Q231 WeakPolarHBondContact CA-O 3.21Å; A221-V232 HydrophobicContact CB-CG1 3.91Å
222Y87.3Confident86.8Confident150 Ų150110.5 Ų110.559%0.58852%0.519SS*.EExtended strand (participates in β ladder)trans-125.5130.5177.1176.5-100.9000109.8D224 Q231Y222-D224 HydrophobicContact CE1-CB 4.39Å; Y222-D224 PolarHBondContact O-N 3.38Å; Y222-Q231 PolarHBondContact N-O 3.38Å; Y222-Q231 PolarHBondContact O-N 3.44Å
223F90.4Very high86.6Confident93 Ų93111 Ų11141%0.40853%0.526SS..EExtended strand (participates in β ladder)trans-83.8112173.6-178.6-116.4000109.6L225 H228 I230F223-L225 HydrophobicContact CD1-CD2 3.78Å; F223-L225 HydrophobicContact CE1-CD2 3.7Å; F223-L225 PolarHBondContact O-N 2.98Å; F223-H228 HydrophobicContact CE2-CB 4.45Å; F223-H228 HydrophobicContact CZ-CB 4.22Å; F223-I230 HydrophobicContact CD2-CG1 3.77Å
224D93.2Very high85.9Confident39 Ų39113.6 Ų113.621%0.20954%0.544CS..EExtended strand (participates in β ladder)trans-79.9113177176.13.9000110.1Y222 Q226 T227 H228 I229 Q231Y222-D224 HydrophobicContact CE1-CB 4.39Å; Y222-D224 PolarHBondContact O-N 3.38Å; D224-Q226 VanDerWaalsContact C-N 3.28Å; D224-Q226 PolarHBondContact O-N 3.42Å; D224-Q226 PolarHBondContact OD1-N 3.26Å; D224-T227 WeakPolarHBondContact CB-OG1 3.49Å; D224-T227 WeakPolarHBondContact OD2-CB 3.38Å; D224-T227 VanDerWaalsContact OD2-CG2 3.3Å; D224-T227 WeakPolarHBondContact OD2-CG2 3.46Å; D224-T227 PolarHBondContact OD2-OG1 2.86Å; D224-H228 WeakPolarHBondContact O-CA 3.39Å; D224-H228 PolarHBondContact O-N 3.44Å; D224-I229 WeakPolarHBondContact CB-O 3.42Å; D224-I229 PolarHBondContact N-O 3.46Å; D224-I229 PolarHBondContact O-N 3.01Å; D224-Q231 HydrophobicContact CB-CG 4.3Å
225L90.9Very high85.2Confident120 Ų120113.2 Ų113.263%0.62856%0.555SS**THydrogen-bonded Turntrans-69-22.4-178.5-66.5172.8000113.7F223 H228F223-L225 HydrophobicContact CD1-CD2 3.78Å; F223-L225 HydrophobicContact CE1-CD2 3.7Å; F223-L225 PolarHBondContact O-N 2.98Å; L225-H228 PolarHBondContact O-CE1 2.63Å
226Q93.8Very high84Confident177 Ų177118 Ų11883%0.82758%0.579SS**THydrogen-bonded Turntrans-83.6-35.2-178.6-170.4160.1-9.800111.6D224D224-Q226 VanDerWaalsContact C-N 3.28Å; D224-Q226 PolarHBondContact O-N 3.42Å; D224-Q226 PolarHBondContact OD1-N 3.26Å
227T92Very high83.2Confident69 Ų69121.3 Ų121.342%0.42359%0.586SS.*THydrogen-bonded Turntrans-101.6-11.8179.663.60000113.7D224 I229D224-T227 WeakPolarHBondContact CB-OG1 3.49Å; D224-T227 WeakPolarHBondContact OD2-CB 3.38Å; D224-T227 VanDerWaalsContact OD2-CG2 3.3Å; D224-T227 WeakPolarHBondContact OD2-CG2 3.46Å; D224-T227 PolarHBondContact OD2-OG1 2.86Å; T227-I229 PolarHBondContact O-N 3.44Å
228H90.4Very high82.2Confident140 Ų140125.1 Ų125.165%0.64860%0.6SS**THydrogen-bonded Turntrans55.931.8-172.1-62.378.2000113.1F223 D224 L225F223-H228 HydrophobicContact CE2-CB 4.45Å; F223-H228 HydrophobicContact CZ-CB 4.22Å; D224-H228 WeakPolarHBondContact O-CA 3.39Å; D224-H228 PolarHBondContact O-N 3.44Å; L225-H228 PolarHBondContact O-CE1 2.63Å
229I91.2Very high81.5Confident94 Ų94126.3 Ų126.348%0.48261%0.61SS.*EExtended strand (participates in β ladder)trans-115.2137-179.6-64.2169.3000109.4D224 T227 Q231D224-I229 WeakPolarHBondContact CB-O 3.42Å; D224-I229 PolarHBondContact N-O 3.46Å; D224-I229 PolarHBondContact O-N 3.01Å; T227-I229 PolarHBondContact O-N 3.44Å; I229-Q231 PolarHBondContact O-N 3.23Å
230I90.6Very high80.8Confident108 Ų108124.8 Ų124.855%0.55461%0.611SS**EExtended strand (participates in β ladder)trans-79111.9171.3-58.9171.6000108.2A221 F223 V232A221-I230 HydrophobicContact CB-CG2 3.81Å; F223-I230 HydrophobicContact CD2-CG1 3.77Å; I230-V232 HydrophobicContact CG2-CG1 4.29Å
231Q88.9Confident80.6Confident99 Ų99119.6 Ų119.646%0.46360%0.6SS.*EExtended strand (participates in β ladder)trans-82.5128.3173.7-61.1-65.9-10.200109.7A221 Y222 D224 I229A221-Q231 CarbonylContact C-O 3.59Å; A221-Q231 VanDerWaalsContact CA-O 3.29Å; A221-Q231 WeakPolarHBondContact CA-O 3.21Å; Y222-Q231 PolarHBondContact N-O 3.38Å; Y222-Q231 PolarHBondContact O-N 3.44Å; D224-Q231 HydrophobicContact CB-CG 4.3Å; I229-Q231 PolarHBondContact O-N 3.23Å
232V87.5Confident79.7Confident101 Ų101121.3 Ų121.361%0.61261%0.607SS**  trans-118.7144.5177.9-65.50000110.6A221 I230 Q234A221-V232 HydrophobicContact CB-CG1 3.91Å; I230-V232 HydrophobicContact CG2-CG1 4.29Å; V232-Q234 PolarHBondContact O-N 3.11Å; V232-Q234 VanDerWaalsContact O-N 3.12Å
233P80.8Confident78.8Confident81 Ų81120.3 Ų120.353%0.52661%0.607SS.*  trans-58.8117.5176.9-22.131.4000111.2R220 G235R220-P233 WeakPolarHBondContact O-CD 3.42Å; P233-G235 PolarHBondContact O-N 3.34Å
234Q74.2Confident77.6Confident186 Ų186125 Ų12587%0.86962%0.622SS**  trans-73.8114.7174.7-165176.415.200109.4V232 K236V232-Q234 PolarHBondContact O-N 3.11Å; V232-Q234 VanDerWaalsContact O-N 3.12Å; Q234-K236 PolarHBondContact O-N 3.04Å
235G69Low76.2Confident50 Ų50127.4 Ų127.452%0.51564%0.638SS.*  trans-62.1132.8173.900000110.9P233 Y237P233-G235 PolarHBondContact O-N 3.34Å; G235-Y237 PolarHBondContact O-N 2.91Å
236K61Low74.9Confident213 Ų213129 Ų12993%0.92664%0.64SS**  trans-76.238.5177.3-65-174.9179.4-178.80113Q234Q234-K236 PolarHBondContact O-N 3.04Å
237Y62.2Low73.3Confident203 Ų203124.6 Ų124.680%0.79663%0.625SS**  trans-103125.1175.5-59.7-75.2000108.8G235 I239G235-Y237 PolarHBondContact O-N 2.91Å; Y237-I239 PolarHBondContact O-N 3.2Å
238K61.1Low72Confident209 Ų209122.2 Ų122.291%0.90961%0.614SS**  trans-65.5103.7167.1-72.5-175.1179.5-178.10107L240K238-L240 PolarHBondContact O-N 3.09Å
239I63.7Low70.7Confident160 Ų160121.2 Ų121.282%0.82162%0.621SS**PPolyproline II helixtrans-65.5122.5171.8-60.3171.3000106.3Y237Y237-I239 PolarHBondContact O-N 3.2Å
240L65.4Low69.1Low103 Ų103122.7 Ų122.754%0.53962%0.624SS.*PPolyproline II helixtrans-64.1143.4176.3-74.3169.5000109.3K238 T245K238-L240 PolarHBondContact O-N 3.09Å; L240-T245 HydrophobicContact CB-CG2 4.21Å
241P72.9Confident67.4Low65 Ų65120.9 Ų120.942%0.42262%0.619SS.*PPolyproline II helixtrans-51.6141.2173.2-25.733.8000111.1E243 R244P241-E243 WeakPolarHBondContact CB-OE2 3.43Å; P241-E243 PolarHBondContact O-N 3.25Å; P241-R244 PolarHBondContact O-N 3.01Å
242P67.6Low65.9Low88 Ų88119.6 Ų119.657%0.57162%0.618SS**G310 helixtrans-51.6-31.7-177.4-27.534.8000113.8R244 T245P242-R244 VanDerWaalsContact C-N 3.28Å; P242-R244 PolarHBondContact O-N 2.87Å; P242-T245 PolarHBondContact O-N 3.47Å; P242-T245 VanDerWaalsContact O-N 3.13Å; P242-T245 PolarHBondContact O-OG1 3.43Å
243E68.8Low64.6Low128 Ų128117.1 Ų117.160%0.59861%0.608SS**G310 helixtrans-63.9-33.2178.7-60.170.7-150.300112.3P241 T245P241-E243 WeakPolarHBondContact CB-OE2 3.43Å; P241-E243 PolarHBondContact O-N 3.25Å; E243-T245 VanDerWaalsContact C-N 3.32Å
244R64Low63.6Low192 Ų192119.5 Ų119.573%0.72562%0.615SS**G310 helixtrans-86.7-2.4177.4-64.2-166.2177.7-164.3-0.6113.5P241 P242P241-R244 PolarHBondContact O-N 3.01Å; P242-R244 VanDerWaalsContact C-N 3.28Å; P242-R244 PolarHBondContact O-N 2.87Å
245T64.3Low63.1Low90 Ų90116.2 Ų116.255%0.55260%0.602SS**G310 helixtrans-96.7-3.7173.366.30000112.7L240 P242 E243L240-T245 HydrophobicContact CB-CG2 4.21Å; P242-T245 PolarHBondContact O-N 3.47Å; P242-T245 VanDerWaalsContact O-N 3.13Å; P242-T245 PolarHBondContact O-OG1 3.43Å; E243-T245 VanDerWaalsContact C-N 3.32Å
246K64.3Low62.3Low154 Ų154120.1 Ų120.167%0.6762%0.619SS**SBendtrans-71.9128.9175.6-66.2-177.7-1791780109.5G248K246-G248 PolarHBondContact O-N 3.38Å
247T60.3Low62.3Low83 Ų83113.8 Ų113.851%0.50961%0.614SS.*PPolyproline II helixtrans-67.7119.6174.646.30000109.9Y262T247-Y262 HydrophobicContact CG2-CD1 3.97Å; T247-Y262 HydrophobicContact CG2-CD2 3.51Å; T247-Y262 HydrophobicContact CG2-CE1 4.2Å; T247-Y262 HydrophobicContact CG2-CE2 3.81Å; T247-Y262 HydrophobicContact CG2-CG 3.6Å
248G64.8Low62.5Low19 Ų19107.3 Ų107.320%0.19659%0.591CS.*PPolyproline II helixtrans-62.2169.5169.100000112.6K246 F250K246-G248 PolarHBondContact O-N 3.38Å; G248-F250 PolarHBondContact O-N 2.94Å
249P62.2Low62.2Low120 Ų120107 Ų10778%0.77959%0.59SS**SBendtrans-61.8-16.1-176.8-20.431.6000114.5P251P249-P251 WeakPolarHBondContact O-CD 3.32Å
250F57.3Low61.9Low125 Ų125102.3 Ų102.355%0.54856%0.564SS.*  trans-117.689.8-177.6-57.2-77.4000110G248 V252 L254 Q260G248-F250 PolarHBondContact O-N 2.94Å; F250-V252 VanDerWaalsContact C-N 3.27Å; F250-V252 PolarHBondContact O-N 2.84Å; F250-L254 HydrophobicContact CD1-CD1 4.44Å; F250-Q260 PolarHBondContact O-NE2 2.84Å
251P55.5Low61.3Low69 Ų69104.9 Ų104.945%0.44857%0.574SS.*  trans-79.4-4.1-176.731.2-35.9000114.2P249 Q260P249-P251 WeakPolarHBondContact O-CD 3.32Å; P251-Q260 VanDerWaalsContact CA-NE2 3.32Å; P251-Q260 PolarHBondContact O-NE2 3.29Å
252V57.8Low60.5Low73 Ų73106.2 Ų106.244%0.44257%0.571SS.*SBendtrans-138.2138.1178.4-178.20000109.5F250 L254 Q260F250-V252 VanDerWaalsContact C-N 3.27Å; F250-V252 PolarHBondContact O-N 2.84Å; V252-L254 PolarHBondContact O-N 3.4Å; V252-Q260 VanDerWaalsContact CA-OE1 3.26Å
253A59.7Low59.9Low48 Ų48111.1 Ų111.140%0.39758%0.579SS.*  trans-68111.8174.400000108.9I255 Q258A253-I255 VanDerWaalsContact C-N 3.34Å; A253-Q258 HydrophobicContact CB-CB 4.22Å
254L60Low59.2Low132 Ų132109.6 Ų109.669%0.69157%0.571SS**SBendtrans-85-16.5178.9-63174.5000111.4F250 V252F250-L254 HydrophobicContact CD1-CD1 4.44Å; V252-L254 PolarHBondContact O-N 3.4Å
255I63.1Low58.5Low116 Ų116110.4 Ų110.460%0.59557%0.574SS**SBendtrans-131.8135.4-177.3-53.1176.4000109.5A253 G257 Q258A253-I255 VanDerWaalsContact C-N 3.34Å; I255-G257 PolarHBondContact O-N 3.29Å; I255-Q258 VanDerWaalsContact O-CB 3.28Å; I255-Q258 WeakPolarHBondContact O-CB 3.32Å; I255-Q258 PolarHBondContact O-N 3.34Å
256P52.7Low58.2Low133 Ų133109.7 Ų109.786%0.86456%0.561SS**THydrogen-bonded Turntrans-53.7123.3172.1-24.734.1000111.5
257G61.1Low58.2Low79 Ų79104.6 Ų104.681%0.81455%0.546SS*.THydrogen-bonded Turntrans95.1-3.2-177.800000115.4I255 F259I255-G257 PolarHBondContact O-N 3.29Å; G257-F259 PolarHBondContact O-N 2.99Å
258Q66.9Low58.4Low68 Ų68105.7 Ų105.732%0.31855%0.554SS.*  trans-69.5126.1170.9-173.2177.70.700110.6A253 I255 Q260A253-Q258 HydrophobicContact CB-CB 4.22Å; I255-Q258 VanDerWaalsContact O-CB 3.28Å; I255-Q258 WeakPolarHBondContact O-CB 3.32Å; I255-Q258 PolarHBondContact O-N 3.34Å; Q258-Q260 PolarHBondContact O-N 3.14Å
259F53.5Low58.4Low202 Ų202109.9 Ų109.989%0.88657%0.572SS**  trans-67.5130.6174.2-100.3-93.5000110.5G257G257-F259 PolarHBondContact O-N 2.99Å
260Q57.8Low58.5Low61 Ų61108 Ų10829%0.28555%0.553SS.*  trans-105.9119.1178.9-172.560.648.500109.8F250 P251 V252 Q258 Y262F250-Q260 PolarHBondContact O-NE2 2.84Å; P251-Q260 VanDerWaalsContact CA-NE2 3.32Å; P251-Q260 PolarHBondContact O-NE2 3.29Å; V252-Q260 VanDerWaalsContact CA-OE1 3.26Å; Q258-Q260 PolarHBondContact O-N 3.14Å; Q260-Y262 VanDerWaalsContact C-N 3.29Å; Q260-Y262 WeakPolarHBondContact CG-O 3.4Å
261E53.4Low58.8Low158 Ų158106.5 Ų106.574%0.73855%0.55SS*.SBendtrans-78.1-15.6178.7-65.1-177.716000112.9
262Y55.2Low59.3Low93 Ų93108.1 Ų108.137%0.36555%0.547SS..  trans-132114.8-174.3-178.8-111.6000112.1T247 Q260 K264T247-Y262 HydrophobicContact CG2-CD1 3.97Å; T247-Y262 HydrophobicContact CG2-CD2 3.51Å; T247-Y262 HydrophobicContact CG2-CE1 4.2Å; T247-Y262 HydrophobicContact CG2-CE2 3.81Å; T247-Y262 HydrophobicContact CG2-CG 3.6Å; Q260-Y262 VanDerWaalsContact C-N 3.29Å; Q260-Y262 WeakPolarHBondContact CG-O 3.4Å; Y262-K264 HydrophobicContact CD1-CB 4.22Å; Y262-K264 HydrophobicContact CE1-CB 3.65Å; Y262-K264 HydrophobicContact CE1-CD 4.34Å; Y262-K264 HydrophobicContact CE1-CG 4.2Å
263Y54.9Low59.7Low191 Ų191109.1 Ų109.175%0.74954%0.543SS*.  trans-94.6101.6173.4179.5-99.5000109.9R265Y263-R265 HydrophobicContact CE1-CB 3.94Å; Y263-R265 HydrophobicContact CE1-CG 4.31Å
264K53.8Low59.9Low95 Ų95111 Ų11141%0.41355%0.546SS..  trans-88.3120.6167.3-163.7175.3178.4-176.40109.1Y262 Y266Y262-K264 HydrophobicContact CD1-CB 4.22Å; Y262-K264 HydrophobicContact CE1-CB 3.65Å; Y262-K264 HydrophobicContact CE1-CD 4.34Å; Y262-K264 HydrophobicContact CE1-CG 4.2Å; K264-Y266 HydrophobicContact CB-CE2 4.18Å; K264-Y266 HydrophobicContact CD-CE1 3.93Å; K264-Y266 HydrophobicContact CG-CE1 4.45Å; K264-Y266 WeakPolarHBondContact O-CD2 3.48Å; K264-Y266 PolarHBondContact O-N 2.91Å
265R50.7Low59.8Low210 Ų210108.8 Ų108.879%0.79254%0.54SS*.  trans-83.5106.3172.2-163.9173.1177.3163.8-1.3108.5Y263Y263-R265 HydrophobicContact CE1-CB 3.94Å; Y263-R265 HydrophobicContact CE1-CG 4.31Å
266Y57.7Low59.4Low74 Ų74111.5 Ų111.529%0.2956%0.555SS.*  trans-76.7139.3177.5-63.4-84.6000110.6K264 E270 L271 L274K264-Y266 HydrophobicContact CB-CE2 4.18Å; K264-Y266 HydrophobicContact CD-CE1 3.93Å; K264-Y266 HydrophobicContact CG-CE1 4.45Å; K264-Y266 WeakPolarHBondContact O-CD2 3.48Å; K264-Y266 PolarHBondContact O-N 2.91Å; Y266-E270 HydrophobicContact CD1-CB 4.23Å; Y266-L271 HydrophobicContact CD2-CD2 4.21Å; Y266-L271 HydrophobicContact CG-CD2 4.02Å; Y266-L274 HydrophobicContact CD1-CD1 4.12Å; Y266-L274 HydrophobicContact CE1-CD1 3.87Å
267S63.7Low59.5Low48 Ų48112.9 Ų112.934%0.33656%0.555SS.*  trans-68.8154.9169.267.10000110.6N269 E270 L271S267-N269 PolarHBondContact O-N 3.19Å; S267-E270 WeakPolarHBondContact CB-OE2 3.32Å; S267-E270 PolarHBondContact N-OE2 3.24Å; S267-E270 PolarHBondContact O-N 3Å; S267-E270 VanDerWaalsContact OG-CD 3.29Å; S267-E270 VanDerWaalsContact OG-CG 3.27Å; S267-E270 WeakPolarHBondContact OG-CG 3.37Å; S267-E270 PolarHBondContact OG-N 2.72Å; S267-E270 PolarHBondContact OG-OE2 3.33Å; S267-L271 PolarHBondContact O-N 2.76Å; S267-L271 VanDerWaalsContact O-N 3.1Å
268P64Low59.2Low105 Ų105114 Ų11468%0.68255%0.546SS*.THydrogen-bonded Turntrans-54.9-25.6176.2-27.335.4000113.9R272P268-R272 VanDerWaalsContact O-CG 3.31Å; P268-R272 WeakPolarHBondContact O-CG 3.42Å
269N65.1Low58.8Low108 Ų108112.8 Ų112.858%0.57855%0.547SS*.THydrogen-bonded Turntrans-77.9-41176.9-74.220.9000112.2S267 L271 R272 Y273S267-N269 PolarHBondContact O-N 3.19Å; N269-L271 VanDerWaalsContact C-N 3.31Å; N269-L271 PolarHBondContact O-N 3.3Å; N269-R272 WeakPolarHBondContact O-CB 3.05Å; N269-R272 PolarHBondContact O-N 2.94Å; N269-Y273 WeakPolarHBondContact O-CD2 3.47Å; N269-Y273 VanDerWaalsContact O-CE2 3.23Å; N269-Y273 WeakPolarHBondContact O-CE2 3.36Å
270E64.4Low59.1Low80 Ų80109.3 Ų109.337%0.37454%0.538SS..G310 helixtrans-67-34.2178-70.6164.3133.800111.7Y266 S267 R272 Y273Y266-E270 HydrophobicContact CD1-CB 4.23Å; S267-E270 WeakPolarHBondContact CB-OE2 3.32Å; S267-E270 PolarHBondContact N-OE2 3.24Å; S267-E270 PolarHBondContact O-N 3Å; S267-E270 VanDerWaalsContact OG-CD 3.29Å; S267-E270 VanDerWaalsContact OG-CG 3.27Å; S267-E270 WeakPolarHBondContact OG-CG 3.37Å; S267-E270 PolarHBondContact OG-N 2.72Å; S267-E270 PolarHBondContact OG-OE2 3.33Å; E270-R272 PolarHBondContact O-N 2.86Å; E270-Y273 PolarHBondContact O-N 3.02Å
271L63.6Low59.2Low93 Ų93110.5 Ų110.549%0.48754%0.542SS..G310 helixtrans-67.6-10.9174.6-70.4175000114Y266 S267 N269 Y273Y266-L271 HydrophobicContact CD2-CD2 4.21Å; Y266-L271 HydrophobicContact CG-CD2 4.02Å; S267-L271 PolarHBondContact O-N 2.76Å; S267-L271 VanDerWaalsContact O-N 3.1Å; N269-L271 VanDerWaalsContact C-N 3.31Å; N269-L271 PolarHBondContact O-N 3.3Å; L271-Y273 VanDerWaalsContact C-N 3.27Å
272R66.4Low59.5Low104 Ų104111.2 Ų111.239%0.39255%0.545SS..G310 helixtrans-79.5-16177.1-62.1173.186.1-172.68.1112.6P268 N269 E270 A279 L280 F281P268-R272 VanDerWaalsContact O-CG 3.31Å; P268-R272 WeakPolarHBondContact O-CG 3.42Å; N269-R272 WeakPolarHBondContact O-CB 3.05Å; N269-R272 PolarHBondContact O-N 2.94Å; E270-R272 PolarHBondContact O-N 2.86Å; R272-A279 WeakPolarHBondContact O-CA 3.35Å; R272-L280 PolarHBondContact O-N 2.8Å; R272-F281 HydrophobicContact CB-CD2 3.8Å; R272-F281 HydrophobicContact CB-CE2 4.43Å; R272-F281 PolarHBondContact O-N 3.05Å
273Y66.2Low59.6Low93 Ų93110.9 Ų110.937%0.36555%0.554SS.*SBendtrans-102.12-179.9-54.3-78.7000112.7N269 E270 L271 F281 E282 P284N269-Y273 WeakPolarHBondContact O-CD2 3.47Å; N269-Y273 VanDerWaalsContact O-CE2 3.23Å; N269-Y273 WeakPolarHBondContact O-CE2 3.36Å; E270-Y273 PolarHBondContact O-N 3.02Å; L271-Y273 VanDerWaalsContact C-N 3.27Å; Y273-F281 HydrophobicContact CD1-CB 3.65Å; Y273-F281 HydrophobicContact CE1-CB 3.39Å; Y273-F281 HydrophobicContact CE1-CG 4.26Å; Y273-E282 VanDerWaalsContact CD1-O 3.25Å; Y273-E282 WeakPolarHBondContact CD1-O 3.34Å; Y273-E282 WeakPolarHBondContact CE1-O 3.1Å; Y273-P284 HydrophobicContact CE1-CG 4.39Å
274L63.8Low59.6Low87 Ų87106.6 Ų106.646%0.45555%0.55SS..  trans-138144.1-177.6-67.1165.3000108.5Y266Y266-L274 HydrophobicContact CD1-CD1 4.12Å; Y266-L274 HydrophobicContact CE1-CD1 3.87Å
275P58.6Low59.5Low86 Ų86110.2 Ų110.256%0.55857%0.573SS**SBendcis-98.3169.8-12.934.7-23.3000112.4N277 T278 A279P275-N277 PolarHBondContact O-N 3.46Å; P275-T278 PolarHBondContact O-N 3.48Å; P275-A279 PolarHBondContact O-N 3.17Å; P275-A279 VanDerWaalsContact O-N 3.15Å
276L54.9Low59.5Low173 Ų173104.5 Ų104.591%0.90656%0.558SS**THydrogen-bonded Turntrans-51.1-17.2-161-64.6162.3000117.8
277N54.5Low59.3Low162 Ų162107.2 Ų107.287%0.86659%0.585SS**THydrogen-bonded Turntrans-107.4-7.8-177.2-64.8-14.6000114.3P275P275-N277 PolarHBondContact O-N 3.46Å
278T55.1Low58.7Low103 Ų103113.4 Ų113.463%0.63261%0.609SS**THydrogen-bonded Turntrans-137.17-177.642.40000113.5P275 L280P275-T278 PolarHBondContact O-N 3.48Å; T278-L280 PolarHBondContact O-N 2.9Å
279A57.6Low58Low42 Ų42114.4 Ų114.435%0.34761%0.607SS.*  trans-57.9125.1174.800000109.9R272 P275 F281R272-A279 WeakPolarHBondContact O-CA 3.35Å; P275-A279 PolarHBondContact O-N 3.17Å; P275-A279 VanDerWaalsContact O-N 3.15Å; A279-F281 VanDerWaalsContact C-N 3.3Å
280L60.5Low57Low130 Ų130114.5 Ų114.568%0.68161%0.614SS**SBendtrans-82.7-14.7178.9-69.1170.6000111.7R272 T278R272-L280 PolarHBondContact O-N 2.8Å; T278-L280 PolarHBondContact O-N 2.9Å
281F59.4Low55.9Low86 Ų86114.8 Ų114.838%0.37763%0.63SS.*SBendtrans-138.8141.8-177.9-64.9-92.6000109.7R272 Y273 A279R272-F281 HydrophobicContact CB-CD2 3.8Å; R272-F281 HydrophobicContact CB-CE2 4.43Å; R272-F281 PolarHBondContact O-N 3.05Å; Y273-F281 HydrophobicContact CD1-CB 3.65Å; Y273-F281 HydrophobicContact CE1-CB 3.39Å; Y273-F281 HydrophobicContact CE1-CG 4.26Å; A279-F281 VanDerWaalsContact C-N 3.3Å
282E59.7Low55Low173 Ų173118.3 Ų118.381%0.80865%0.648SS**PPolyproline II helixtrans-61.3136.2170.9-71.9175.2178.800110Y273Y273-E282 VanDerWaalsContact CD1-O 3.25Å; Y273-E282 WeakPolarHBondContact CD1-O 3.34Å; Y273-E282 WeakPolarHBondContact CE1-O 3.1Å
283P57.2Low53.6Low85 Ų85120.2 Ų120.255%0.55267%0.666SS**PPolyproline II helixtrans-53.9136.7172.5-22.732.7000109.9L285P283-L285 PolarHBondContact O-N 2.83Å; P283-L285 VanDerWaalsContact O-N 3.11Å
284P55.7Low52.3Low101 Ų101121.2 Ų121.266%0.65669%0.687SS**PPolyproline II helixtrans-54.9122.6174.1-22.132.2000109.4Y273 D286Y273-P284 HydrophobicContact CE1-CG 4.39Å; P284-D286 PolarHBondContact O-N 3.06Å; P284-D286 VanDerWaalsContact O-N 3.09Å
285L50.8Low51.1Low171 Ų171124.2 Ų124.290%0.89570%0.703SS**  trans-57.9115.6173.4-74.1162.8000108.1P283 P287P283-L285 PolarHBondContact O-N 2.83Å; P283-L285 VanDerWaalsContact O-N 3.11Å; L285-P287 WeakPolarHBondContact O-CD 3.27Å
286D51.4Low50.2Low91 Ų91123.4 Ų123.449%0.48771%0.711SS.*  trans-68.7118.6172.9-167.1-13.4000108.3P284 E288 L289P284-D286 PolarHBondContact O-N 3.06Å; P284-D286 VanDerWaalsContact O-N 3.09Å; D286-E288 PolarHBondContact O-N 2.77Å; D286-E288 VanDerWaalsContact O-N 3.11Å; D286-E288 PolarHBondContact OD1-N 3.27Å; D286-L289 HydrophobicContact CB-CB 4.49Å; D286-L289 HydrophobicContact CB-CD1 3.93Å; D286-L289 HydrophobicContact CB-CG 3.98Å; D286-L289 PolarHBondContact O-N 3.15Å
287P53.4Low49.2Very low131 Ų131122.7 Ų122.785%0.85171%0.708SS**THydrogen-bonded Turntrans-63.3-13.2179.3-19.932.4000114L285L285-P287 WeakPolarHBondContact O-CD 3.27Å
288E51.1Low48.7Very low178 Ų178120.4 Ų120.483%0.83271%0.705SS**THydrogen-bonded Turntrans-97.7-0.8-179.5-65.4-157.7164.500114.7D286D286-E288 PolarHBondContact O-N 2.77Å; D286-E288 VanDerWaalsContact O-N 3.11Å; D286-E288 PolarHBondContact OD1-N 3.27Å
289L48.9Very low47.8Very low125 Ų125122.8 Ų122.865%0.65471%0.714SS**SBendtrans-89.8127.2174.6-69.2176.8000110.7D286 A291D286-L289 HydrophobicContact CB-CB 4.49Å; D286-L289 HydrophobicContact CB-CD1 3.93Å; D286-L289 HydrophobicContact CB-CG 3.98Å; D286-L289 PolarHBondContact O-N 3.15Å; L289-A291 PolarHBondContact O-N 3.05Å
290P44.3Very low47.1Very low111 Ų111128.6 Ų128.672%0.72174%0.739SS**PPolyproline II helixtrans-56134.1173.6-19.829.9000110L292P290-L292 PolarHBondContact O-N 3.39Å
291A41.8Very low45.9Very low85 Ų85126 Ų12670%0.70274%0.743SS**PPolyproline II helixtrans-55.4125.4174.200000109L289 D293L289-A291 PolarHBondContact O-N 3.05Å; A291-D293 PolarHBondContact O-N 3.19Å
292L44.5Very low44.7Very low168 Ų168128.8 Ų128.888%0.8876%0.762SS**  trans-72.5110.1167.6-71171.3000106.6P290 S294P290-L292 PolarHBondContact O-N 3.39Å; L292-S294 PolarHBondContact O-N 3.18Å
293D36.7Very low43.6Very low144 Ų144127.6 Ų127.677%0.7776%0.761SS**  trans-60.7101.3170.2-61.9-42.2000107.9A291 D295A291-D293 PolarHBondContact O-N 3.19Å; D293-D295 VanDerWaalsContact C-N 3.29Å; D293-D295 PolarHBondContact O-N 3.37Å; D293-D295 VanDerWaalsContact O-N 3.13Å
294S39Very low42.5Very low113 Ų113126.8 Ų126.879%0.7977%0.769SS**  trans-80.882.8171.5178.30000107.5L292 G296L292-S294 PolarHBondContact O-N 3.18Å; S294-G296 PolarHBondContact O-N 3.42Å; S294-G296 VanDerWaalsContact O-N 3.08Å
295D37Very low41.4Very low150 Ų150131.4 Ų131.480%0.80278%0.778SS**  trans-62.3109.3162.7-73.6-38.1000107.8D293 D297D293-D295 VanDerWaalsContact C-N 3.29Å; D293-D295 PolarHBondContact O-N 3.37Å; D293-D295 VanDerWaalsContact O-N 3.13Å; D295-D297 PolarHBondContact O-N 3.4Å
296G41.1Very low40.6Very low70 Ų70131.3 Ų131.372%0.72277%0.773SS**  trans-69.710717300000109.3S294 S298S294-G296 PolarHBondContact O-N 3.42Å; S294-G296 VanDerWaalsContact O-N 3.08Å; G296-S298 PolarHBondContact O-N 3.32Å
297D33.1Very low39.8Very low157 Ų157134.9 Ų134.984%0.8479%0.792SS**  trans-90.2100.4166.5-160.620.5000108.3D295D295-D297 PolarHBondContact O-N 3.4Å
298S44Very low38.8Very low115 Ų115131.9 Ų131.980%0.80479%0.785SS**  trans-101.7113.4164.7-58.90000106.6G296G296-S298 PolarHBondContact O-N 3.32Å
299D37.3Very low38Very low153 Ų153133.6 Ų133.682%0.81879%0.79SS**  trans-145.7122.2153.8-149.112.4000111.2
300D42Very low37.3Very low164 Ų164137.1 Ų137.188%0.87780%0.8SS**  trans-104125.7167.5-103.3-44.8000106
301G36Very low36.6Very low74 Ų74140 Ų14076%0.76381%0.809SS**  trans166.677.3173.100000118.2
302D34.3Very low36.3Very low146 Ų146145.8 Ų145.878%0.78182%0.819SS**  trans27.6146.8139.7-151.222.7000125.1
303D35.8Very low35.5Very low147 Ų147141.1 Ų141.179%0.78681%0.811SS**  trans86.1114.1151.2-100-33.3000123.8
304G33.5Very low35.2Very low69 Ų69139.6 Ų139.671%0.71181%0.811SS**  116.1104.9127.100000121.5
305K34.3Very low35Very low198 Ų198138.3 Ų138.386%0.86180%0.802SS**  trans91105142.3-104.7178177.2178.90122.8
306E32.1Very low34.5Very low169 Ų169138.3 Ų138.379%0.7980%0.802SS**  33.8116.4122.9-126.3178.2-175.400120.3
307D34.8Very low34.2Very low166 Ų166140.2 Ų140.289%0.88881%0.805SS**  -167.6139.3111.5-114.3-42.3000111.6
308G32.6Very low34.3Very low68 Ų68138 Ų13870%0.70180%0.801SS**  trans-93.2154.2-170.600000115.2
309K34.6Very low34Very low213 Ų213138.2 Ų138.293%0.92680%0.803SS**  trans-161.2126.5134.6-134.2161.4-178.8168.10113
310K33.8Very low33.5Very low200 Ų200134.1 Ų134.187%0.8780%0.797SS**  trans-67.8144.6171.7-63.6167.6177.3170.50110.4
311N30.8Very low33.2Very low171 Ų171133.3 Ų133.391%0.91479%0.793SS**  -153.7132.7121.3-126.23.9000112.7
312K34.5Very low32.9Very low207 Ų207135.7 Ų135.790%0.979%0.792SS**  trans-99.6149.6174.8-95.7-179.3171.1-179.10109.2
313G28.9Very low33Very low69 Ų69134 Ų13471%0.71179%0.792SS**  trans174.695.7156.700000106.9
314S30.6Very low32.8Very low112 Ų112135.3 Ų135.378%0.78380%0.799SS**  53.59572.7-144.40000110.9
315S33.5Very low32.6Very low86 Ų86135.7 Ų135.760%0.60180%0.803SS**  91.3139105.272.70000109.3
316D26.2Very low32.4Very low150 Ų150133.8 Ų133.880%0.80280%0.802SS**  cis-160.3154.945.9-79.1-70000111.8
317S35.8Very low32.3Very low111 Ų111131.4 Ų131.478%0.77680%0.804SS**  trans-72156.1167.4-53.40000111.6
318S35.3Very low32Very low109 Ų109132.3 Ų132.376%0.76280%0.803SS**  167.4113.9127.8-75.10000114.3
319S37.4Very low31.6Very low121 Ų121135.9 Ų135.985%0.84681%0.806SS**  38.6140124.851.70000124.6
320G27.8Very low31.2Very low67 Ų67130.3 Ų130.369%0.69179%0.794SS**  trans145.3142148.800000111.2
321N34.5Very low30.7Very low147 Ų147123.9 Ų123.979%0.78679%0.785SS**  cis-169151.2-4.1-124.944.5000107.3
322T29.1Very low30.5Very low123 Ų123122.8 Ų122.876%0.75578%0.778SS**  trans30.9134.1144.856.40000124.1
323S37.3Very low30Very low110 Ų110120.6 Ų120.677%0.76977%0.77SS**  trans-56.4161.5168-41.60000116.9
324D31.4Very low29.8Very low175 Ų175122.5 Ų122.594%0.93677%0.772SS**  trans-161.1150.6143.9-94.5-36.4000111.3
325G29.4Very low29.5Very low77 Ų77127.1 Ų127.179%0.79478%0.778SS**  trans125.194.8144.300000118.9
326D29.1Very low29.2Very low158 Ų158129 Ų12985%0.84579%0.786SS**  trans-58.3153.9163.9-119.4-61.6000114.3
327S30.9Very low29.1Very low119 Ų119131.8 Ų131.883%0.83279%0.791SS**  trans171.5154.4131.3-79.60000115.6
328Q29.1Very low28.6Very low186 Ų186131.3 Ų131.387%0.86979%0.788SS**  trans-81.3168.7-167.8-58.6175.3-30.200115.3
329D23.9Very low28.2Very low142 Ų142135.1 Ų135.176%0.75979%0.791SS**  119134.9129.9-158.141.4000120.3
330S26.7Very low27.5Very low96 Ų96136.3 Ų136.367%0.67179%0.787SS**  trans27.7140.8156.367.40000125.1
331G22.6Very low27.6Very low66 Ų66143.6 Ų143.668%0.6879%0.794SS**  116.999.1115.500000120.9
332I26.3Very low27.4Very low148 Ų148142.7 Ų142.776%0.75980%0.796SS**  trans65.6136.9134.2-22.4-175.3000122.2
333H24.4Very low27.2Very low161 Ų161139.6 Ų139.675%0.74579%0.789SS**  trans112.795.6145.7-68.5-67.7000119.4
334S24.3Very low26.9Very low108 Ų108138.7 Ų138.776%0.75579%0.788SS**  38.9114.3118.2-47.90000119.7
335K23.8Very low26.7Very low209 Ų209139.1 Ų139.191%0.90978%0.784SS**  -158.2116.5124.5-125.5168.9-177.71710113.5
336V28.1Very low27.2Very low127 Ų127141 Ų14177%0.7779%0.785SS**  trans-56.7133.2162.3175.30000109.6
337K23.4Very low27.2Very low207 Ų207142.7 Ų142.790%0.979%0.785SS**  trans-148.7103.7149.9-148.4168.8-175.5177.80111.1
338S26.3Very low27.2Very low101 Ų101145 Ų14571%0.70679%0.788SS**  trans-58137164.1-42.20000110.7
339K25.7Very low27.2Very low190 Ų190139.7 Ų139.783%0.82678%0.783SS**  trans-163112.2142.9-131.1176.4177.8-1740112.7
340D24.3Very low27.6Very low145 Ų145139.2 Ų139.278%0.77579%0.785SS**  trans45.3121.8142.1-66.3-64.5000122.5
341R29.4Very low28.1Very low221 Ų221140.7 Ų140.783%0.83479%0.793SS**  trans-60.3147.4154.8-153.1-179.7-177.7-135.63110
342P29.2Very low28.7Very low128 Ų128149 Ų14983%0.83180%0.804SS**  -134.6148.898.725.9-7.9000109.6
343G24.7Very low29.2Very low58 Ų58146.7 Ų146.760%0.59880%0.801SS**  118.9118.562.400000106.2
344A31.9Very low30.2Very low90 Ų90142.1 Ų142.174%0.74478%0.781SS**  trans-58.5153.7-174.600000113.5
345Q27.6Very low31.4Very low185 Ų185143.4 Ų143.486%0.86478%0.775SS**  trans-163.1117.2141.3-106.6164.450.600111.5
346S39.8Very low32.6Very low115 Ų115136.3 Ų136.380%0.80475%0.745SS**  trans-59.8145.8164.4-52.90000111.3
347K29.1Very low33.8Very low195 Ų195137.7 Ų137.785%0.84874%0.741SS**  trans-142.8132.3151.3-76.7-162.9175.7177.90111.8
348D30.4Very low35.3Very low167 Ų167131 Ų13189%0.89372%0.72SS**  trans-48.9138-179.3-65.4-75000115.6
349G29.9Very low36.9Very low75 Ų75129.8 Ų129.877%0.77371%0.708SS**  trans-103.2114.1164.600000110.5
350T32.3Very low38.4Very low131 Ų131126.7 Ų126.780%0.80471%0.707SS**PPolyproline II helixtrans-57.2139.5171.942.10000112.5
351P36.4Very low40.2Very low128 Ų128123.3 Ų123.383%0.83171%0.707SS**PPolyproline II helixtrans-74.8129.2-179.729.3-31.2000111.2S353P351-S353 PolarHBondContact O-N 2.9Å
352R35.8Very low42.4Very low240 Ų240115.9 Ų115.991%0.90668%0.679SS**PPolyproline II helixtrans-62.6127172.8-83.5178.5171.1172.8-2.6110.1I354R352-I354 PolarHBondContact O-N 3.06Å
353S36.3Very low44.4Very low100 Ų100118.4 Ų118.470%0.69968%0.678SS**  trans-66.9113.1177.1174.60000111.8P351P351-S353 PolarHBondContact O-N 2.9Å
354I46.5Very low46.9Very low64 Ų64118.6 Ų118.633%0.32867%0.668SS.*  trans-79.6124.5173.1-53.8169.5000108.4R352 T429 V430 L469R352-I354 PolarHBondContact O-N 3.06Å; I354-T429 HydrophobicContact CG2-CG2 4.29Å; I354-V430 HydrophobicContact CD1-CB 4.31Å; I354-V430 HydrophobicContact CD1-CG1 4.29Å; I354-V430 HydrophobicContact CD1-CG2 3.63Å; I354-L469 HydrophobicContact CB-CD2 4.35Å; I354-L469 HydrophobicContact CG2-CD1 3.94Å; I354-L469 HydrophobicContact CG2-CD2 4.03Å; I354-L469 HydrophobicContact CG2-CG 4.31Å; I354-L469 VanDerWaalsContact O-CD2 3.26Å; I354-L469 WeakPolarHBondContact O-CD2 3.39Å
355Q48.7Very low49.2Very low135 Ų135117.7 Ų117.763%0.63165%0.647SS**  trans-105.5139.3176-69.3-176.3-12.400111K357Q355-K357 PolarHBondContact O-N 3.49Å
356H48.4Very low51.6Low61 Ų61115 Ų11528%0.28264%0.643SS.*  trans-67.696.9161.8-83.4-78.8000108.9S358 R448 L469 C470 D473H356-S358 PolarHBondContact O-N 3.36Å; H356-R448 PolarHBondContact CE1-NH1 3.06Å; H356-R448 VanDerWaalsContact CE1-NH1 3.35Å; H356-R448 PolarHBondContact ND1-NH1 2.92Å; H356-L469 VanDerWaalsContact CD2-C 3.46Å; H356-L469 VanDerWaalsContact CD2-CB 3.43Å; H356-L469 WeakPolarHBondContact CD2-CB 3.04Å; H356-L469 PolarHBondContact CD2-O 3.43Å; H356-L469 WeakPolarHBondContact NE2-CA 3.33Å; H356-L469 VanDerWaalsContact NE2-CB 3.3Å; H356-L469 WeakPolarHBondContact NE2-CB 3.49Å; H356-L469 PolarHBondContact NE2-O 3.19Å; H356-C470 PolarHBondContact NE2-N 3.42Å; H356-D473 IonicContact CD2-OD1 3.79Å; H356-D473 IonicContact CD2-OD2 3.6Å; H356-D473 IonicContact CE1-OD2 3.54Å; H356-D473 IonicContact NE2-OD1 3.77Å; H356-D473 IonicContact NE2-OD2 2.78Å; H356-D473 PolarHBondContact NE2-OD2 3.41Å
357K52.7Low53.6Low155 Ų155111.4 Ų111.467%0.67462%0.615SS**  trans-92.295.4160-70.7-175.4179.5-179.30107.4Q355 V359Q355-K357 PolarHBondContact O-N 3.49Å; K357-V359 PolarHBondContact O-N 3.46Å
358S55Low55.9Low66 Ų66107.3 Ų107.346%0.46261%0.608SS.*  trans-52120.2150.252.30000105.9H356 P360H356-S358 PolarHBondContact O-N 3.36Å; S358-P360 WeakPolarHBondContact O-CD 3.41Å; S358-P360 VanDerWaalsContact O-N 3.17Å
359V61Low58.4Low76 Ų76107.1 Ų107.146%0.46161%0.607SS.*  trans-74.1109.4-177.2179.30000106.7K357 G361 Y362K357-V359 PolarHBondContact O-N 3.46Å; V359-G361 PolarHBondContact O-N 3.32Å; V359-G361 VanDerWaalsContact O-N 3.16Å; V359-Y362 PolarHBondContact O-N 2.85Å; V359-Y362 VanDerWaalsContact O-N 3.1Å
360P56.7Low61.1Low125 Ų125104.3 Ų104.381%0.81258%0.576SS**THydrogen-bonded Turntrans-60.6123.8-178.4-20.835.2000108.9S358S358-P360 WeakPolarHBondContact O-CD 3.41Å; S358-P360 VanDerWaalsContact O-N 3.17Å
361G63.1Low63.9Low75 Ų75103.1 Ų103.177%0.77356%0.564SS**THydrogen-bonded Turntrans86.610.3-178.800000116.1V359 K363V359-G361 PolarHBondContact O-N 3.32Å; V359-G361 VanDerWaalsContact O-N 3.16Å; G361-K363 PolarHBondContact O-N 2.95Å
362Y74.6Confident66.5Low64 Ų6497 Ų9725%0.25153%0.525SS..PPolyproline II helixtrans-63.5118.5172-178.9-103.2000111.1V359 P364 K416 Y418 P419V359-Y362 PolarHBondContact O-N 2.85Å; V359-Y362 VanDerWaalsContact O-N 3.1Å; Y362-P364 HydrophobicContact CE1-CG 4.38Å; Y362-K416 WeakPolarHBondContact CD1-O 3.33Å; Y362-Y418 VanDerWaalsContact CE1-C 3.47Å; Y362-Y418 VanDerWaalsContact CE1-O 3.23Å; Y362-Y418 WeakPolarHBondContact CE1-O 3.27Å; Y362-P419 HydrophobicContact CE2-CB 4Å
363K72.2Confident69Low182 Ų18288.4 Ų88.479%0.79151%0.51SS*.PPolyproline II helixtrans-101123.9169.7-67.9-177-178.8178.10108.2G361 K365G361-K363 PolarHBondContact O-N 2.95Å; K363-K365 PolarHBondContact O-N 3.25Å
364P76.8Confident71.6Confident61 Ų6188.4 Ų88.440%0.39650%0.501SS..PPolyproline II helixtrans-53.5137.4174.7-26.234000111.1Y362 V366 K416Y362-P364 HydrophobicContact CE1-CG 4.38Å; P364-V366 PolarHBondContact O-N 3.34Å; P364-K416 HydrophobicContact CG-CB 4.2Å; P364-K416 HydrophobicContact CG-CG 4.34Å
365K79.1Confident73.7Confident71 Ų7186.6 Ų86.631%0.30949%0.494SS..PPolyproline II helixtrans-55.9128.1174.8-173.5179.4175.9-170.20108.7K363 I367 H392 C396K363-K365 PolarHBondContact O-N 3.25Å; K365-I367 HydrophobicContact CD-CD1 4.19Å; K365-I367 HydrophobicContact CD-CG1 4.29Å; K365-I367 HydrophobicContact CG-CG1 4.09Å; K365-H392 HydrophobicContact CB-CB 4.39Å; K365-H392 PolarHBondContact O-CD2 3.13Å; K365-C396 PolarHBondContact NZ-O 2.66Å; K365-C396 VanDerWaalsContact NZ-O 3.11Å
366V79.3Confident75.7Confident128 Ų12887.6 Ų87.678%0.77650%0.499SS*.  trans-109.4116.6174.8-178.30000107.9P364P364-V366 PolarHBondContact O-N 3.34Å
367I81.8Confident77.6Confident41 Ų4189.1 Ų89.121%0.2150%0.504CS..  trans-108.5110.6176.9-55.9173.5000107.9K365 A370 H392K365-I367 HydrophobicContact CD-CD1 4.19Å; K365-I367 HydrophobicContact CD-CG1 4.29Å; K365-I367 HydrophobicContact CG-CG1 4.09Å; I367-A370 HydrophobicContact CB-CB 3.98Å; I367-A370 HydrophobicContact CG2-CB 3.99Å; I367-A370 WeakPolarHBondContact O-CB 3.37Å; I367-A370 PolarHBondContact O-N 3.02Å; I367-H392 HydrophobicContact CD1-CB 4.2Å
368P76.9Confident79.3Confident108 Ų10882.9 Ų82.970%0.70148%0.484SS*.THydrogen-bonded Turntrans-63.6139.4175.825.8-31.2000110A370P368-A370 PolarHBondContact O-N 3.45Å
369N82.7Confident80.9Confident164 Ų16486 Ų8688%0.87749%0.49SS*.THydrogen-bonded Turntrans59.523.3-178.5-54.5-26.4000115.6I371N369-I371 PolarHBondContact O-N 3.5Å
370A86.8Confident82.2Confident16 Ų1688.8 Ų88.813%0.13250%0.498CS..  trans-61.5136.617200000111.8I367 P368 L390I367-A370 HydrophobicContact CB-CB 3.98Å; I367-A370 HydrophobicContact CG2-CB 3.99Å; I367-A370 WeakPolarHBondContact O-CB 3.37Å; I367-A370 PolarHBondContact O-N 3.02Å; P368-A370 PolarHBondContact O-N 3.45Å; A370-L390 HydrophobicContact CB-CD2 4.44Å
371I90.5Very high83.8Confident106 Ų10684.1 Ų84.154%0.54447%0.47SS..  trans-107.3147.7173.757.8173.1000109.8N369 G373N369-I371 PolarHBondContact O-N 3.5Å; I371-G373 PolarHBondContact O-N 3.4Å
372C92.1Very high85Confident0 Ų081 Ų810%044%0.435CS..  trans-71.9126177176.90000109.8I374 C375 Q376 K377 L390 S399 H401C372-I374 PolarHBondContact O-N 3.2Å; C372-I374 VanDerWaalsContact O-N 3.11Å; C372-C375 VanDerWaalsContact CB-SG 3.55Å; C372-C375 VanDerWaalsContact SG-SG 3.63Å; C372-Q376 WeakPolarHBondContact O-CA 3.43Å; C372-Q376 PolarHBondContact O-N 3.15Å; C372-K377 VanDerWaalsContact CB-O 3.32Å; C372-K377 WeakPolarHBondContact CB-O 3.12Å; C372-K377 PolarHBondContact N-O 3.39Å; C372-L390 HydrophobicContact CB-CD2 3.99Å; C372-S399 CarbonylContact C-O 3.56Å; C372-S399 WeakPolarHBondContact CA-O 3.31Å; C372-H401 VanDerWaalsContact CB-CE1 3.42Å; C372-H401 WeakPolarHBondContact CB-CE1 3.45Å; C372-H401 VanDerWaalsContact CB-ND1 3.3Å; C372-H401 WeakPolarHBondContact CB-ND1 3.23Å; C372-H401 PolarHBondContact SG-N 2.81Å; C372-H401 PolarHBondContact SG-ND1 2.98Å
373G87.8Confident85.6Confident58 Ų5885.7 Ų85.760%0.59846%0.457SS*.THydrogen-bonded Turntrans-62.8-17.7179.900000114.3I371 S399I371-G373 PolarHBondContact O-N 3.4Å; G373-S399 PolarHBondContact N-O 2.79Å
374I90.9Very high86.3Confident100 Ų10086.2 Ų86.251%0.51345%0.454SS..THydrogen-bonded Turntrans-95.3-49.5-176.8-58.9174.1000111.4C372 C404 L405C372-I374 PolarHBondContact O-N 3.2Å; C372-I374 VanDerWaalsContact O-N 3.11Å; I374-C404 HydrophobicContact CB-CB 4.07Å; I374-C404 HydrophobicContact CD1-CB 3.99Å; I374-C404 WeakPolarHBondContact CD1-O 3.42Å; I374-C404 HydrophobicContact CG2-CB 4.19Å; I374-L405 HydrophobicContact CD1-CD2 3.64Å; I374-L405 HydrophobicContact CD1-CG 4.19Å
375C90.8Very high86.8Confident27 Ų2785.7 Ų85.718%0.18246%0.46CS..THydrogen-bonded Turntrans-105.7-2.5-175.575.40000114.1C372 K377 K383 H401C372-C375 VanDerWaalsContact CB-SG 3.55Å; C372-C375 VanDerWaalsContact SG-SG 3.63Å; C375-K377 PolarHBondContact O-N 3.49Å; C375-K383 HydrophobicContact CB-CB 4.42Å; C375-H401 PolarHBondContact SG-CE1 3.1Å; C375-H401 PolarHBondContact SG-ND1 3.34Å
376Q90.6Very high87.2Confident156 Ų15688 Ų8873%0.72947%0.47SS*.  trans58.113.8179.8-57.5179.61.200115.3C372C372-Q376 WeakPolarHBondContact O-CA 3.43Å; C372-Q376 PolarHBondContact O-N 3.15Å
377K88.2Confident87.6Confident92 Ų9286.8 Ų86.840%0.446%0.464SS..  trans-101.6152.1176.8-62.6175.1-174-177.20111.1C372 C375 A381 H401C372-K377 VanDerWaalsContact CB-O 3.32Å; C372-K377 WeakPolarHBondContact CB-O 3.12Å; C372-K377 PolarHBondContact N-O 3.39Å; C375-K377 PolarHBondContact O-N 3.49Å; K377-A381 WeakPolarHBondContact CB-O 3.47Å; K377-A381 HydrophobicContact CD-CB 4.21Å; K377-H401 PolarHBondContact O-CE1 3.5Å
378G89.5Confident88Confident25 Ų2586.8 Ų86.826%0.25846%0.464SS..  trans-79.1-165.9176.900000113.5E380 A381 H401G378-E380 PolarHBondContact O-N 3.19Å; G378-A381 PolarHBondContact O-N 3.47Å; G378-H401 PolarHBondContact O-CE1 2.94Å; G378-H401 PolarHBondContact O-NE2 3.05Å
379K88.4Confident88.6Confident131 Ų13184.8 Ų84.857%0.5746%0.456SS*.THydrogen-bonded Turntrans-63-20.1179.669.2-174.3-176.6-175.40114.6P387 E388 L390K379-P387 WeakPolarHBondContact O-CA 3.38Å; K379-E388 WeakPolarHBondContact CA-O 3.3Å; K379-E388 PolarHBondContact O-N 3.44Å; K379-L390 VanDerWaalsContact CA-CD1 3.41Å; K379-L390 HydrophobicContact CB-CD1 3.73Å
380E88.1Confident89Confident135 Ų13578 Ų7863%0.63142%0.42SS*.THydrogen-bonded Turntrans-74.2-25.1-176-53.5-55.4146.800112.8G378 P387G378-E380 PolarHBondContact O-N 3.19Å; E380-P387 WeakPolarHBondContact O-CA 3.46Å
381A89.6Confident89.2Confident27 Ų2777.9 Ų77.922%0.22342%0.417CS..  trans-153.3123.1-177.800000112.4K377 G378 K386 H401K377-A381 WeakPolarHBondContact CB-O 3.47Å; K377-A381 HydrophobicContact CD-CB 4.21Å; G378-A381 PolarHBondContact O-N 3.47Å; A381-K386 CarbonylContact C-O 3.35Å; A381-K386 WeakPolarHBondContact CA-O 3.12Å; A381-H401 PolarHBondContact O-CE1 3.17Å
382N89Confident89.3Confident10 Ų1074.2 Ų74.25%0.05340%0.397CS..  trans-80.5-172.9167.166.413000112R384 G385 K386 E388 H401 S403N382-R384 PolarHBondContact O-N 3.11Å; N382-R384 VanDerWaalsContact O-N 3.08Å; N382-R384 VanDerWaalsContact OD1-C 3.3Å; N382-R384 WeakPolarHBondContact OD1-CA 3.35Å; N382-R384 WeakPolarHBondContact OD1-CB 3.38Å; N382-R384 PolarHBondContact OD1-N 2.81Å; N382-G385 PolarHBondContact O-N 3.44Å; N382-G385 PolarHBondContact OD1-N 3.48Å; N382-K386 VanDerWaalsContact CG-O 3.26Å; N382-K386 PolarHBondContact N-O 3.08Å; N382-K386 PolarHBondContact OD1-N 3.43Å; N382-K386 PolarHBondContact OD1-O 3.29Å; N382-E388 HydrophobicContact CB-CB 4.19Å; N382-E388 VanDerWaalsContact CB-OE2 3.32Å; N382-E388 WeakPolarHBondContact CB-OE2 3.46Å; N382-E388 PolarHBondContact ND2-OE2 2.89Å; N382-H401 HydrophobicContact CB-CB 4.4Å; N382-S403 PolarHBondContact ND2-OG 3.37Å
383K87Confident89.4Confident161 Ų16174.2 Ų74.270%0.740%0.397SS*.THydrogen-bonded Turntrans-54.4-28.7176.4-170.8176.1-179.7179.90112.8C375C375-K383 HydrophobicContact CB-CB 4.42Å
384R86.8Confident89.5Confident194 Ų19473 Ų7373%0.73238%0.38SS*.THydrogen-bonded Turntrans-97.17.8-180-60.1175.464.4-170.24.5113.9N382 K386N382-R384 PolarHBondContact O-N 3.11Å; N382-R384 VanDerWaalsContact O-N 3.08Å; N382-R384 VanDerWaalsContact OD1-C 3.3Å; N382-R384 WeakPolarHBondContact OD1-CA 3.35Å; N382-R384 WeakPolarHBondContact OD1-CB 3.38Å; N382-R384 PolarHBondContact OD1-N 2.81Å; R384-K386 VanDerWaalsContact C-N 3.34Å; R384-K386 PolarHBondContact O-N 3.25Å
385G86.3Confident89.4Confident50 Ų5074.4 Ų74.452%0.51538%0.384SS..SBendtrans75.714.5177.700000115.4N382N382-G385 PolarHBondContact O-N 3.44Å; N382-G385 PolarHBondContact OD1-N 3.48Å
386K87.8Confident89.4Confident119 Ų11974.6 Ų74.652%0.51739%0.385SS..  trans-98.3144.9176.9-63.4-173.9178-1730111.1A381 N382 R384 E388A381-K386 CarbonylContact C-O 3.35Å; A381-K386 WeakPolarHBondContact CA-O 3.12Å; N382-K386 VanDerWaalsContact CG-O 3.26Å; N382-K386 PolarHBondContact N-O 3.08Å; N382-K386 PolarHBondContact OD1-N 3.43Å; N382-K386 PolarHBondContact OD1-O 3.29Å; R384-K386 VanDerWaalsContact C-N 3.34Å; R384-K386 PolarHBondContact O-N 3.25Å; K386-E388 PolarHBondContact O-N 2.97Å
387P89Confident89.4Confident102 Ų10273.5 Ų73.566%0.66238%0.38SS*.  trans-66.9129174.628-33.9000110K379 E380K379-P387 WeakPolarHBondContact O-CA 3.38Å; E380-P387 WeakPolarHBondContact O-CA 3.46Å
388E89.1Confident89.5Confident42 Ų4272.4 Ų72.420%0.19638%0.379CS..  trans-150129.2-176.3-168179177.800109.9K379 N382 K386 H401 P402 S403K379-E388 WeakPolarHBondContact CA-O 3.3Å; K379-E388 PolarHBondContact O-N 3.44Å; N382-E388 HydrophobicContact CB-CB 4.19Å; N382-E388 VanDerWaalsContact CB-OE2 3.32Å; N382-E388 WeakPolarHBondContact CB-OE2 3.46Å; N382-E388 PolarHBondContact ND2-OE2 2.89Å; K386-E388 PolarHBondContact O-N 2.97Å; E388-H401 PolarHBondContact O-CD2 3.3Å; E388-P402 HydrophobicContact CG-CG 4.39Å; E388-P402 VanDerWaalsContact OE1-CB 3.23Å; E388-P402 WeakPolarHBondContact OE1-CB 3.46Å; E388-P402 WeakPolarHBondContact OE1-CD 3.34Å; E388-P402 WeakPolarHBondContact OE1-CG 3.39Å; E388-S403 PolarHBondContact OE1-N 2.78Å; E388-S403 VanDerWaalsContact OE2-CB 3.31Å; E388-S403 WeakPolarHBondContact OE2-CB 3.13Å; E388-S403 PolarHBondContact OE2-OG 3.21Å
389A88.7Confident89.6Confident66 Ų6671.7 Ų71.755%0.54537%0.37SS..PPolyproline II helixtrans-70.4136.7179.500000111.1P402A389-P402 WeakPolarHBondContact O-CD 3.27Å
390L91.7Very high89.8Confident21 Ų2165.6 Ų65.611%0.1134%0.344CS..PPolyproline II helixtrans-80.1150.4178.4-70.681.8000111.1A370 C372 K379 G400A370-L390 HydrophobicContact CB-CD2 4.44Å; C372-L390 HydrophobicContact CB-CD2 3.99Å; K379-L390 VanDerWaalsContact CA-CD1 3.41Å; K379-L390 HydrophobicContact CB-CD1 3.73Å; L390-G400 WeakPolarHBondContact CA-O 3.35Å
391I92Very high90.1Very high14 Ų1459.1 Ų59.17%0.07231%0.314CS..EExtended strand (participates in β ladder)trans-99.5139.4167.2-55.7174.7000107.4S399 G400 P402 V412 I415 W420I391-S399 CarbonylContact O-C 3.19Å; I391-S399 WeakPolarHBondContact O-CA 3.32Å; I391-G400 PolarHBondContact N-O 2.68Å; I391-G400 PolarHBondContact O-N 2.49Å; I391-P402 HydrophobicContact CD1-CB 4.44Å; I391-P402 HydrophobicContact CD1-CG 3.95Å; I391-P402 HydrophobicContact CG1-CG 4.2Å; I391-V412 HydrophobicContact CD1-CG1 4.09Å; I391-V412 HydrophobicContact CD1-CG2 3.96Å; I391-I415 HydrophobicContact CD1-CG2 4.41Å; I391-I415 HydrophobicContact CG2-CG2 3.91Å; I391-W420 HydrophobicContact CG2-CD2 3.93Å; I391-W420 HydrophobicContact CG2-CE3 3.6Å; I391-W420 HydrophobicContact CG2-CG 4.47Å; I391-W420 HydrophobicContact CG2-CZ3 3.96Å
392H92.3Very high90.2Very high29 Ų2958.5 Ų58.513%0.13431%0.307CS..EExtended strand (participates in β ladder)trans-115.4135.2-175.3-54.2-72.4000110.5K365 I367 S399K365-H392 HydrophobicContact CB-CB 4.39Å; K365-H392 PolarHBondContact O-CD2 3.13Å; I367-H392 HydrophobicContact CD1-CB 4.2Å; H392-S399 WeakPolarHBondContact ND1-CB 3.26Å; H392-S399 PolarHBondContact ND1-OG 3.15Å
393C92.9Very high90.4Very high0 Ų060.2 Ų60.20%032%0.32CS..  trans-64.7139.8171.4-174.70000110.8Q395 C396 N398 W420 C422C393-Q395 PolarHBondContact SG-N 2.67Å; C393-Q395 VanDerWaalsContact SG-N 3.38Å; C393-C396 WeakPolarHBondContact CB-SG 3.3Å; C393-C396 VanDerWaalsContact O-O 3.09Å; C393-C396 PolarHBondContact SG-SG 2.77Å; C393-N398 PolarHBondContact N-O 3.45Å; C393-W420 HydrophobicContact CB-CZ3 4.27Å; C393-C422 HydrophobicContact CB-CB 4.06Å; C393-C422 PolarHBondContact SG-N 3.04Å
394S91.2Very high90.6Very high33 Ų3353.4 Ų53.423%0.23129%0.292CS..SBendtrans-73.4-26.7174.7580000113.2W420S394-W420 VanDerWaalsContact CB-O 3.25Å; S394-W420 WeakPolarHBondContact CB-O 3.45Å; S394-W420 PolarHBondContact N-O 3.29Å; S394-W420 PolarHBondContact OG-O 2.79Å
395Q89.1Confident90.7Very high128 Ų12846.2 Ų46.260%0.59827%0.269SS*.SBendtrans-99.3-28.4-174.3-59-59.1-34.700113.5C393 Q421 C425C393-Q395 PolarHBondContact SG-N 2.67Å; C393-Q395 VanDerWaalsContact SG-N 3.38Å; Q395-Q421 HydrophobicContact CG-CG 4.04Å; Q395-C425 HydrophobicContact CB-CB 3.94Å; Q395-C425 HydrophobicContact CG-CB 4.35Å
396C90.9Very high90.8Very high31 Ų3151.2 Ų51.221%0.20928%0.283CS..SBendtrans-127.9-172.5-179.673.60000111.9K365 C393 N398 C422K365-C396 PolarHBondContact NZ-O 2.66Å; K365-C396 VanDerWaalsContact NZ-O 3.11Å; C393-C396 WeakPolarHBondContact CB-SG 3.3Å; C393-C396 VanDerWaalsContact O-O 3.09Å; C393-C396 PolarHBondContact SG-SG 2.77Å; C396-N398 VanDerWaalsContact SG-CB 3.54Å; C396-N398 PolarHBondContact SG-N 3.15Å; C396-N398 VanDerWaalsContact SG-N 3.41Å; C396-C422 PolarHBondContact SG-SG 3.03Å
397Q88.9Confident90.8Very high133 Ų13347 Ų4762%0.62127%0.266SS*.SBendtrans-962.9176.8-58.7-64.41100113.2S399Q397-S399 PolarHBondContact O-N 2.76Å; Q397-S399 PolarHBondContact O-OG 3.33Å
398N90.8Very high90.8Very high69 Ų6945.2 Ų45.237%0.36926%0.256SS..  trans-65.3133.5178.3-70.4-11.3000110.5C393 C396 E424C393-N398 PolarHBondContact N-O 3.45Å; C396-N398 VanDerWaalsContact SG-CB 3.54Å; C396-N398 PolarHBondContact SG-N 3.15Å; C396-N398 VanDerWaalsContact SG-N 3.41Å; N398-E424 PolarHBondContact ND2-OE2 2.83Å
399S92.8Very high90.8Very high10 Ų1049.2 Ų49.27%0.0728%0.283CS..EExtended strand (participates in β ladder)trans-131145.6-179.6-52.50000108.8C372 G373 I391 H392 Q397C372-S399 CarbonylContact C-O 3.56Å; C372-S399 WeakPolarHBondContact CA-O 3.31Å; G373-S399 PolarHBondContact N-O 2.79Å; I391-S399 CarbonylContact O-C 3.19Å; I391-S399 WeakPolarHBondContact O-CA 3.32Å; H392-S399 WeakPolarHBondContact ND1-CB 3.26Å; H392-S399 PolarHBondContact ND1-OG 3.15Å; Q397-S399 PolarHBondContact O-N 2.76Å; Q397-S399 PolarHBondContact O-OG 3.33Å
400G92.8Very high90.7Very high3 Ų352.2 Ų52.23%0.03129%0.29CS..EExtended strand (participates in β ladder)trans-147.1146.4-178.300000112.5L390 I391L390-G400 WeakPolarHBondContact CA-O 3.35Å; I391-G400 PolarHBondContact N-O 2.68Å; I391-G400 PolarHBondContact O-N 2.49Å
401H93.3Very high90.6Very high0 Ų051.9 Ų51.90%029%0.288CS..  trans-70.1138.9167.3-59.9112.2000109.2C372 C375 K377 G378 A381 N382 E388 S403 C404 L405C372-H401 VanDerWaalsContact CB-CE1 3.42Å; C372-H401 WeakPolarHBondContact CB-CE1 3.45Å; C372-H401 VanDerWaalsContact CB-ND1 3.3Å; C372-H401 WeakPolarHBondContact CB-ND1 3.23Å; C372-H401 PolarHBondContact SG-N 2.81Å; C372-H401 PolarHBondContact SG-ND1 2.98Å; C375-H401 PolarHBondContact SG-CE1 3.1Å; C375-H401 PolarHBondContact SG-ND1 3.34Å; K377-H401 PolarHBondContact O-CE1 3.5Å; G378-H401 PolarHBondContact O-CE1 2.94Å; G378-H401 PolarHBondContact O-NE2 3.05Å; A381-H401 PolarHBondContact O-CE1 3.17Å; N382-H401 HydrophobicContact CB-CB 4.4Å; E388-H401 PolarHBondContact O-CD2 3.3Å; H401-S403 PolarHBondContact O-N 3.04Å; H401-C404 HydrophobicContact CB-CB 4.04Å; H401-C404 PolarHBondContact O-N 3.08Å; H401-L405 PolarHBondContact O-N 3.05Å
402P92.4Very high90.5Very high13 Ų1352 Ų528%0.08429%0.289CS..G310 helixtrans-49-44.1171.1-2325.3000113E388 A389 I391 C404 L405 D406 M407 V412E388-P402 HydrophobicContact CG-CG 4.39Å; E388-P402 VanDerWaalsContact OE1-CB 3.23Å; E388-P402 WeakPolarHBondContact OE1-CB 3.46Å; E388-P402 WeakPolarHBondContact OE1-CD 3.34Å; E388-P402 WeakPolarHBondContact OE1-CG 3.39Å; A389-P402 WeakPolarHBondContact O-CD 3.27Å; I391-P402 HydrophobicContact CD1-CB 4.44Å; I391-P402 HydrophobicContact CD1-CG 3.95Å; I391-P402 HydrophobicContact CG1-CG 4.2Å; P402-C404 VanDerWaalsContact C-N 3.32Å; P402-C404 PolarHBondContact O-N 3.21Å; P402-L405 CarbonylContact O-C 3.53Å; P402-L405 PolarHBondContact O-N 2.73Å; P402-D406 PolarHBondContact O-N 3.05Å; P402-D406 VanDerWaalsContact O-N 3.15Å; P402-M407 HydrophobicContact CB-CB 4.17Å; P402-M407 PolarHBondContact O-N 3.49Å; P402-V412 HydrophobicContact CB-CG2 3.62Å; P402-V412 HydrophobicContact CG-CG2 3.83Å
403S92.7Very high90.3Very high46 Ų4653.4 Ų53.432%0.32231%0.306SS..G310 helixtrans-67.9-23.7176.667.40000115.3N382 E388 H401N382-S403 PolarHBondContact ND2-OG 3.37Å; E388-S403 PolarHBondContact OE1-N 2.78Å; E388-S403 VanDerWaalsContact OE2-CB 3.31Å; E388-S403 WeakPolarHBondContact OE2-CB 3.13Å; E388-S403 PolarHBondContact OE2-OG 3.21Å; H401-S403 PolarHBondContact O-N 3.04Å
404C90.6Very high90.1Very high18 Ų1856.5 Ų56.512%0.12232%0.319CS..G310 helixtrans-83.6-21.3174.5-68.90000112I374 H401 P402I374-C404 HydrophobicContact CB-CB 4.07Å; I374-C404 HydrophobicContact CD1-CB 3.99Å; I374-C404 WeakPolarHBondContact CD1-O 3.42Å; I374-C404 HydrophobicContact CG2-CB 4.19Å; H401-C404 HydrophobicContact CB-CB 4.04Å; H401-C404 PolarHBondContact O-N 3.08Å; P402-C404 VanDerWaalsContact C-N 3.32Å; P402-C404 PolarHBondContact O-N 3.21Å
405L89.8Confident90Very high44 Ų4455 Ų5523%0.2331%0.309CS..THydrogen-bonded Turntrans-98.38.2177.4-67.3169.8000112.3I374 H401 P402 M407 W420I374-L405 HydrophobicContact CD1-CD2 3.64Å; I374-L405 HydrophobicContact CD1-CG 4.19Å; H401-L405 PolarHBondContact O-N 3.05Å; P402-L405 CarbonylContact O-C 3.53Å; P402-L405 PolarHBondContact O-N 2.73Å; L405-M407 HydrophobicContact CB-CE 4.42Å; L405-M407 HydrophobicContact CB-CG 3.73Å; L405-M407 PolarHBondContact O-N 3.35Å; L405-W420 HydrophobicContact CD1-CH2 4.01Å; L405-W420 HydrophobicContact CD1-CZ2 4.32Å
406D88.6Confident89.9Confident154 Ų15454 Ų5482%0.82430%0.303SS*.THydrogen-bonded Turntrans52.734.8-175.4-62.7-43.1000114.4P402P402-D406 PolarHBondContact O-N 3.05Å; P402-D406 VanDerWaalsContact O-N 3.15Å
407M88.2Confident89.6Confident31 Ų3157.6 Ų57.615%0.15332%0.317CS..  trans-89.8133.8-179-62.5-75.5179.100111.7P402 L405 L411 V412 I415 W420 D447P402-M407 HydrophobicContact CB-CB 4.17Å; P402-M407 PolarHBondContact O-N 3.49Å; L405-M407 HydrophobicContact CB-CE 4.42Å; L405-M407 HydrophobicContact CB-CG 3.73Å; L405-M407 PolarHBondContact O-N 3.35Å; M407-L411 HydrophobicContact CB-CD2 4.49Å; M407-L411 HydrophobicContact SD-CD2 3.23Å; M407-L411 WeakPolarHBondContact SD-CD2 3.43Å; M407-L411 HydrophobicContact SD-CG 3.93Å; M407-V412 HydrophobicContact CB-CG2 4.19Å; M407-I415 HydrophobicContact CE-CD1 4.42Å; M407-I415 HydrophobicContact SD-CD1 3.97Å; M407-W420 HydrophobicContact CE-CZ2 4.45Å; M407-D447 HydrophobicContact CE-CB 4.34Å; M407-D447 WeakPolarHBondContact CE-OD2 3.19Å
408S88.6Confident89.6Confident64 Ų6452.2 Ų52.245%0.44829%0.292SS..  trans-77.2155.5173.570.90000112.4D410 L411 V412S408-D410 VanDerWaalsContact C-N 3.26Å; S408-D410 PolarHBondContact O-N 3.41Å; S408-L411 WeakPolarHBondContact O-CB 3.12Å; S408-L411 PolarHBondContact O-N 3.11Å; S408-L411 VanDerWaalsContact O-N 3.1Å; S408-L411 WeakPolarHBondContact OG-CB 3.26Å; S408-L411 PolarHBondContact OG-N 3.19Å; S408-V412 WeakPolarHBondContact O-CG2 3.28Å; S408-V412 PolarHBondContact O-N 2.89Å
409V87.7Confident89.5Confident126 Ų12651.8 Ų51.876%0.76429%0.293SS*.Hα-helixtrans-58.7-38.7-178.6-178.20000112.1L411 V412 A413V409-L411 VanDerWaalsContact C-N 3.34Å; V409-V412 PolarHBondContact O-N 3.05Å; V409-A413 PolarHBondContact O-N 3.1Å; V409-A413 VanDerWaalsContact O-N 3.12Å
410D87.3Confident89.5Confident130 Ų13052 Ų5270%0.69529%0.292SS*.Hα-helixtrans-66-37.7178.2-64.9-27.2000112S408 A413 K414S408-D410 VanDerWaalsContact C-N 3.26Å; S408-D410 PolarHBondContact O-N 3.41Å; D410-A413 PolarHBondContact O-N 3.09Å; D410-K414 PolarHBondContact O-N 2.89Å
411L89.8Confident89.6Confident14 Ų1453.5 Ų53.57%0.07330%0.298CS..Hα-helixtrans-67.1-42.2175.6178.756000111.1M407 S408 V409 A413 K414 I415 K445 D447M407-L411 HydrophobicContact CB-CD2 4.49Å; M407-L411 HydrophobicContact SD-CD2 3.23Å; M407-L411 WeakPolarHBondContact SD-CD2 3.43Å; M407-L411 HydrophobicContact SD-CG 3.93Å; S408-L411 WeakPolarHBondContact O-CB 3.12Å; S408-L411 PolarHBondContact O-N 3.11Å; S408-L411 VanDerWaalsContact O-N 3.1Å; S408-L411 WeakPolarHBondContact OG-CB 3.26Å; S408-L411 PolarHBondContact OG-N 3.19Å; V409-L411 VanDerWaalsContact C-N 3.34Å; L411-A413 VanDerWaalsContact C-N 3.29Å; L411-A413 PolarHBondContact O-N 3.01Å; L411-K414 PolarHBondContact O-N 3.2Å; L411-K414 VanDerWaalsContact O-N 3.13Å; L411-I415 HydrophobicContact CD1-CD1 3.91Å; L411-I415 HydrophobicContact CD1-CG1 4.08Å; L411-I415 HydrophobicContact CD2-CD1 4.45Å; L411-I415 HydrophobicContact CG-CD1 3.71Å; L411-I415 HydrophobicContact CG-CG1 4.32Å; L411-I415 WeakPolarHBondContact O-CB 3.34Å; L411-I415 WeakPolarHBondContact O-CG1 3.35Å; L411-I415 PolarHBondContact O-N 3.35Å; L411-K445 WeakPolarHBondContact CD1-O 3.31Å; L411-D447 HydrophobicContact CD1-CB 4.16Å
412V89.6Confident89.5Confident15 Ų1554 Ų549%0.09130%0.302CS..Hα-helixtrans-59.1-40.3175.5177.80000111.8I391 P402 M407 S408 V409 K414 I415 K416I391-V412 HydrophobicContact CD1-CG1 4.09Å; I391-V412 HydrophobicContact CD1-CG2 3.96Å; P402-V412 HydrophobicContact CB-CG2 3.62Å; P402-V412 HydrophobicContact CG-CG2 3.83Å; M407-V412 HydrophobicContact CB-CG2 4.19Å; S408-V412 WeakPolarHBondContact O-CG2 3.28Å; S408-V412 PolarHBondContact O-N 2.89Å; V409-V412 PolarHBondContact O-N 3.05Å; V412-K414 VanDerWaalsContact C-N 3.28Å; V412-K414 PolarHBondContact O-N 2.86Å; V412-I415 PolarHBondContact O-N 3.2Å; V412-K416 HydrophobicContact CG1-CD 4.32Å; V412-K416 WeakPolarHBondContact O-CG 3.46Å; V412-K416 PolarHBondContact O-N 3.39Å; V412-K416 VanDerWaalsContact O-N 3.15Å
413A87.7Confident89.4Confident59 Ų5960 Ų6049%0.48833%0.33SS..Hα-helixtrans-60.3-40.3177.600000111.6V409 D410 L411V409-A413 PolarHBondContact O-N 3.1Å; V409-A413 VanDerWaalsContact O-N 3.12Å; D410-A413 PolarHBondContact O-N 3.09Å; L411-A413 VanDerWaalsContact C-N 3.29Å; L411-A413 PolarHBondContact O-N 3.01Å
414K88.8Confident89.2Confident65 Ų6564.8 Ų64.828%0.28335%0.347SS..Hα-helixtrans-71-46.7176.4-73.6179.6169.9-168.50112.4D410 L411 V412 K416 M417 Y418 K445D410-K414 PolarHBondContact O-N 2.89Å; L411-K414 PolarHBondContact O-N 3.2Å; L411-K414 VanDerWaalsContact O-N 3.13Å; V412-K414 VanDerWaalsContact C-N 3.28Å; V412-K414 PolarHBondContact O-N 2.86Å; K414-K416 PolarHBondContact O-N 3.07Å; K414-K416 VanDerWaalsContact O-N 3.16Å; K414-M417 VanDerWaalsContact O-CB 3.31Å; K414-M417 WeakPolarHBondContact O-CB 3.44Å; K414-M417 PolarHBondContact O-N 2.95Å; K414-Y418 HydrophobicContact CB-CE1 4.47Å; K414-Y418 WeakPolarHBondContact O-CD1 2.93Å; K414-Y418 WeakPolarHBondContact O-CE1 3.33Å; K414-K445 WeakPolarHBondContact CD-O 2.98Å
415I89.6Confident89.2Confident3 Ų365.4 Ų65.42%0.01535%0.351CS..Hα-helixtrans-55.2-33.9179.5-76.8175.6000112.2I391 M407 L411 V412 M417 Y418 W420 D447I391-I415 HydrophobicContact CD1-CG2 4.41Å; I391-I415 HydrophobicContact CG2-CG2 3.91Å; M407-I415 HydrophobicContact CE-CD1 4.42Å; M407-I415 HydrophobicContact SD-CD1 3.97Å; L411-I415 HydrophobicContact CD1-CD1 3.91Å; L411-I415 HydrophobicContact CD1-CG1 4.08Å; L411-I415 HydrophobicContact CD2-CD1 4.45Å; L411-I415 HydrophobicContact CG-CD1 3.71Å; L411-I415 HydrophobicContact CG-CG1 4.32Å; L411-I415 WeakPolarHBondContact O-CB 3.34Å; L411-I415 WeakPolarHBondContact O-CG1 3.35Å; L411-I415 PolarHBondContact O-N 3.35Å; V412-I415 PolarHBondContact O-N 3.2Å; I415-M417 PolarHBondContact O-N 3.25Å; I415-Y418 WeakPolarHBondContact CA-OH 3.45Å; I415-Y418 WeakPolarHBondContact CG1-OH 3.42Å; I415-W420 HydrophobicContact CG2-CB 3.61Å; I415-W420 HydrophobicContact CG2-CD2 4.24Å; I415-W420 HydrophobicContact CG2-CG 3.51Å; I415-D447 HydrophobicContact CD1-CB 3.9Å; I415-D447 HydrophobicContact CG1-CB 4.35Å
416K86.4Confident89.4Confident107 Ų10763.8 Ų63.847%0.46534%0.343SS..THydrogen-bonded Turntrans-68.8-12.7176.3-74.2175.3178.1178.60114.5Y362 P364 V412 K414Y362-K416 WeakPolarHBondContact CD1-O 3.33Å; P364-K416 HydrophobicContact CG-CB 4.2Å; P364-K416 HydrophobicContact CG-CG 4.34Å; V412-K416 HydrophobicContact CG1-CD 4.32Å; V412-K416 WeakPolarHBondContact O-CG 3.46Å; V412-K416 PolarHBondContact O-N 3.39Å; V412-K416 VanDerWaalsContact O-N 3.15Å; K414-K416 PolarHBondContact O-N 3.07Å; K414-K416 VanDerWaalsContact O-N 3.16Å
417M85.6Confident89.6Confident105 Ų10557.8 Ų57.852%0.51731%0.312SS..THydrogen-bonded Turntrans-90.6-4.2-177-57.2-177.468.400113.9K414 I415K414-M417 VanDerWaalsContact O-CB 3.31Å; K414-M417 WeakPolarHBondContact O-CB 3.44Å; K414-M417 PolarHBondContact O-N 2.95Å; I415-M417 PolarHBondContact O-N 3.25Å
418Y88Confident89.9Confident21 Ų2156.3 Ų56.38%0.08230%0.304CS..SBendtrans-150.4164.3179.851.5-92.7000111.3Y362 K414 I415 W420 C446 R448Y362-Y418 VanDerWaalsContact CE1-C 3.47Å; Y362-Y418 VanDerWaalsContact CE1-O 3.23Å; Y362-Y418 WeakPolarHBondContact CE1-O 3.27Å; K414-Y418 HydrophobicContact CB-CE1 4.47Å; K414-Y418 WeakPolarHBondContact O-CD1 2.93Å; K414-Y418 WeakPolarHBondContact O-CE1 3.33Å; I415-Y418 WeakPolarHBondContact CA-OH 3.45Å; I415-Y418 WeakPolarHBondContact CG1-OH 3.42Å; Y418-W420 PolarHBondContact O-N 2.89Å; Y418-C446 WeakPolarHBondContact OH-CA 3.39Å; Y418-C446 WeakPolarHBondContact OH-CB 3.36Å; Y418-C446 PolarHBondContact OH-O 3.15Å; Y418-R448 HydrophobicContact CE2-CG 4.35Å
419P89.4Confident90.1Very high60 Ų6054.9 Ų54.939%0.3929%0.293SS..  trans-67.291.8176.927.3-36.8000111.7Y362Y362-P419 HydrophobicContact CE2-CB 4Å
420W93.1Very high90.2Very high14 Ų1451.7 Ų51.75%0.05327%0.273CS..  trans-65.6147.9176.3179.778.2000112.5I391 C393 S394 L405 M407 I415 Y418 C422 D447I391-W420 HydrophobicContact CG2-CD2 3.93Å; I391-W420 HydrophobicContact CG2-CE3 3.6Å; I391-W420 HydrophobicContact CG2-CG 4.47Å; I391-W420 HydrophobicContact CG2-CZ3 3.96Å; C393-W420 HydrophobicContact CB-CZ3 4.27Å; S394-W420 VanDerWaalsContact CB-O 3.25Å; S394-W420 WeakPolarHBondContact CB-O 3.45Å; S394-W420 PolarHBondContact N-O 3.29Å; S394-W420 PolarHBondContact OG-O 2.79Å; L405-W420 HydrophobicContact CD1-CH2 4.01Å; L405-W420 HydrophobicContact CD1-CZ2 4.32Å; M407-W420 HydrophobicContact CE-CZ2 4.45Å; I415-W420 HydrophobicContact CG2-CB 3.61Å; I415-W420 HydrophobicContact CG2-CD2 4.24Å; I415-W420 HydrophobicContact CG2-CG 3.51Å; Y418-W420 PolarHBondContact O-N 2.89Å; W420-C422 HydrophobicContact CH2-CB 3.87Å; W420-C422 HydrophobicContact CZ3-CB 4.12Å; W420-D447 PolarHBondContact NE1-OD2 3.43Å
421Q93.6Very high90.3Very high35 Ų3547.9 Ų47.916%0.16426%0.256CS..  trans-121.1137.2177.8-68.2169-31.200108.6Q395 C425 K426 T427Q395-Q421 HydrophobicContact CG-CG 4.04Å; Q421-C425 HydrophobicContact CB-CB 4.38Å; Q421-C425 VanDerWaalsContact CD-O 3.25Å; Q421-C425 PolarHBondContact OE1-O 3.22Å; Q421-K426 HydrophobicContact CB-CD 4.29Å; Q421-K426 WeakPolarHBondContact O-CE 3.23Å; Q421-K426 PolarHBondContact O-NZ 3.47Å; Q421-T427 PolarHBondContact NE2-OG1 2.85Å; Q421-T427 PolarHBondContact OE1-OG1 3.2Å
422C92Very high90.4Very high11 Ų1153.1 Ų53.17%0.07428%0.281CS..  trans-67.7170.7170.565.30000111.2C393 C396 W420 E424 C425 K426C393-C422 HydrophobicContact CB-CB 4.06Å; C393-C422 PolarHBondContact SG-N 3.04Å; C396-C422 PolarHBondContact SG-SG 3.03Å; W420-C422 HydrophobicContact CH2-CB 3.87Å; W420-C422 HydrophobicContact CZ3-CB 4.12Å; C422-E424 VanDerWaalsContact C-N 3.3Å; C422-E424 PolarHBondContact O-N 3.5Å; C422-C425 CarbonylContact O-C 3.51Å; C422-C425 PolarHBondContact O-N 3.48Å; C422-C425 VanDerWaalsContact SG-SG 3.66Å; C422-K426 PolarHBondContact O-N 3.34Å; C422-K426 VanDerWaalsContact O-N 3.08Å
423M89.8Confident90.3Very high138 Ų13856.8 Ų56.868%0.6830%0.297SS*.G310 helixtrans-54-45.1-178.3-66.8172.355.100112.5C425 K426 F442M423-C425 VanDerWaalsContact C-N 3.27Å; M423-C425 PolarHBondContact O-N 3.38Å; M423-K426 WeakPolarHBondContact O-CB 3.38Å; M423-K426 PolarHBondContact O-N 2.76Å; M423-F442 HydrophobicContact CG-CE2 4.19Å
424E89.2Confident90.3Very high146 Ų14656.5 Ų56.568%0.68229%0.29SS*.G310 helixtrans-69.2-19.4179.5-62.3159.6-173.800114.4N398 C422N398-E424 PolarHBondContact ND2-OE2 2.83Å; C422-E424 VanDerWaalsContact C-N 3.3Å; C422-E424 PolarHBondContact O-N 3.5Å
425C91.4Very high90.1Very high31 Ų3158.8 Ų58.821%0.20930%0.302CS..G310 helixtrans-110.78.7-178.4-66.40000112Q395 Q421 C422 M423 T427Q395-C425 HydrophobicContact CB-CB 3.94Å; Q395-C425 HydrophobicContact CG-CB 4.35Å; Q421-C425 HydrophobicContact CB-CB 4.38Å; Q421-C425 VanDerWaalsContact CD-O 3.25Å; Q421-C425 PolarHBondContact OE1-O 3.22Å; C422-C425 CarbonylContact O-C 3.51Å; C422-C425 PolarHBondContact O-N 3.48Å; C422-C425 VanDerWaalsContact SG-SG 3.66Å; M423-C425 VanDerWaalsContact C-N 3.27Å; M423-C425 PolarHBondContact O-N 3.38Å; C425-T427 PolarHBondContact O-N 3.4Å
426K93.1Very high89.9Confident10 Ų1063.1 Ų63.14%0.04332%0.322CS..  trans-70.4129-172.9-16079.371.7177.50109.5Q421 C422 M423 M440 F442 D447Q421-K426 HydrophobicContact CB-CD 4.29Å; Q421-K426 WeakPolarHBondContact O-CE 3.23Å; Q421-K426 PolarHBondContact O-NZ 3.47Å; C422-K426 PolarHBondContact O-N 3.34Å; C422-K426 VanDerWaalsContact O-N 3.08Å; M423-K426 WeakPolarHBondContact O-CB 3.38Å; M423-K426 PolarHBondContact O-N 2.76Å; K426-M440 HydrophobicContact CB-SD 4.26Å; K426-M440 HydrophobicContact CG-SD 4.07Å; K426-F442 HydrophobicContact CB-CE1 4.19Å; K426-F442 HydrophobicContact CB-CZ 4.48Å; K426-F442 HydrophobicContact CD-CD1 4.49Å; K426-F442 HydrophobicContact CD-CE1 4.46Å; K426-F442 HydrophobicContact CG-CD1 4.06Å; K426-F442 HydrophobicContact CG-CE1 3.7Å; K426-F442 HydrophobicContact CG-CZ 4.36Å; K426-D447 WeakPolarHBondContact CE-O 3.23Å; K426-D447 VanDerWaalsContact NZ-CG 3.31Å; K426-D447 PolarHBondContact NZ-O 2.56Å; K426-D447 IonicContact NZ-OD1 3.96Å; K426-D447 IonicContact NZ-OD2 3.79Å; K426-D447 PolarHBondContact NZ-OD2 3.41Å
427T93.4Very high89.9Confident29 Ų2964.9 Ų64.918%0.17833%0.331CS..  trans-115.5145.2173.753.70000110.2Q421 C425 T429 P434Q421-T427 PolarHBondContact NE2-OG1 2.85Å; Q421-T427 PolarHBondContact OE1-OG1 3.2Å; C425-T427 PolarHBondContact O-N 3.4Å; T427-T429 PolarHBondContact O-N 3.11Å; T427-P434 HydrophobicContact CG2-CB 4.18Å
428C94.1Very high89.9Confident0 Ų067.3 Ų67.30%034%0.342CS..BIsolated β-bridgetrans-64.6129.5175.8169.80000110.9V430 C431 Q432 Q433 M440 G449 H451C428-V430 PolarHBondContact O-N 3.04Å; C428-V430 VanDerWaalsContact O-N 3.17Å; C428-V430 PolarHBondContact SG-N 3.04Å; C428-C431 WeakPolarHBondContact CB-SG 3.31Å; C428-C431 VanDerWaalsContact SG-SG 3.63Å; C428-Q432 WeakPolarHBondContact O-CA 3.2Å; C428-Q432 PolarHBondContact O-N 3.22Å; C428-Q432 PolarHBondContact O-OE1 2.81Å; C428-Q433 PolarHBondContact N-O 3.48Å; C428-M440 HydrophobicContact CB-CE 4.4Å; C428-G449 CarbonylContact C-O 3.53Å; C428-G449 WeakPolarHBondContact CA-O 3.33Å; C428-H451 VanDerWaalsContact CB-CE1 3.42Å; C428-H451 WeakPolarHBondContact CB-CE1 3.43Å; C428-H451 WeakPolarHBondContact CB-ND1 3.31Å; C428-H451 PolarHBondContact SG-N 2.98Å; C428-H451 VanDerWaalsContact SG-N 3.44Å; C428-H451 PolarHBondContact SG-ND1 2.92Å; C428-H451 VanDerWaalsContact SG-ND1 3.44Å
429T92.1Very high89.9Confident33 Ų3370.2 Ų70.220%0.20236%0.356CS..THydrogen-bonded Turntrans-65.3-22.1-176.4-52.90000112.8I354 T427 G449 F450I354-T429 HydrophobicContact CG2-CG2 4.29Å; T427-T429 PolarHBondContact O-N 3.11Å; T429-G449 PolarHBondContact N-O 2.95Å; T429-G449 PolarHBondContact OG1-O 3.46Å; T429-G449 VanDerWaalsContact OG1-O 3.05Å; T429-F450 HydrophobicContact CG2-CE1 4.2Å; T429-F450 HydrophobicContact CG2-CZ 4.3Å
430V90.4Very high90Very high59 Ų5968.1 Ų68.136%0.35834%0.341SS..THydrogen-bonded Turntrans-84.6-53.8-177.8-170.40000111.3I354 C428 F450 C454 V455I354-V430 HydrophobicContact CD1-CB 4.31Å; I354-V430 HydrophobicContact CD1-CG1 4.29Å; I354-V430 HydrophobicContact CD1-CG2 3.63Å; C428-V430 PolarHBondContact O-N 3.04Å; C428-V430 VanDerWaalsContact O-N 3.17Å; C428-V430 PolarHBondContact SG-N 3.04Å; V430-F450 HydrophobicContact CG2-CD1 3.91Å; V430-F450 HydrophobicContact CG2-CE1 4.38Å; V430-C454 HydrophobicContact CB-CB 3.72Å; V430-C454 HydrophobicContact CG1-CB 4.08Å; V430-C454 HydrophobicContact CG2-CB 3.74Å; V430-V455 HydrophobicContact CG2-CG1 4.41Å
431C90.4Very high89.9Confident50 Ų5068.1 Ų68.134%0.33834%0.342SS..THydrogen-bonded Turntrans-99.1-10.8-174.468.20000113.7C428 Q433 H451C428-C431 WeakPolarHBondContact CB-SG 3.31Å; C428-C431 VanDerWaalsContact SG-SG 3.63Å; C431-Q433 HydrophobicContact CB-CG 4.49Å; C431-Q433 PolarHBondContact O-N 2.94Å; C431-H451 PolarHBondContact SG-ND1 3.18Å; C431-H451 VanDerWaalsContact SG-ND1 3.44Å
432Q90.9Very high89.9Confident125 Ų12569.8 Ų69.858%0.58435%0.348SS*.  trans57.927.5-177.3-54.5-71.446.400114C428C428-Q432 WeakPolarHBondContact O-CA 3.2Å; C428-Q432 PolarHBondContact O-N 3.22Å; C428-Q432 PolarHBondContact O-OE1 2.81Å
433Q87.3Confident89.9Confident91 Ų9169.3 Ų69.343%0.42535%0.345SS..  trans-111.2145.7178.9-63.9-66.6-27.100111.1C428 C431 H435C428-Q433 PolarHBondContact N-O 3.48Å; C431-Q433 HydrophobicContact CB-CG 4.49Å; C431-Q433 PolarHBondContact O-N 2.94Å; Q433-H435 PolarHBondContact OE1-CE1 3.36Å; Q433-H435 PolarHBondContact OE1-ND1 2.94Å
434P88.6Confident90Very high53 Ų5366.5 Ų66.534%0.34433%0.333SS..  trans-87.7-13.5174.534.1-34.8000114T427 E437T427-P434 HydrophobicContact CG2-CB 4.18Å; P434-E437 WeakPolarHBondContact O-CG 3.45Å
435H84.5Confident90Very high114 Ų11463.4 Ų63.453%0.52832%0.317SS..  trans-58.2165.3-177.3-5390.4000112.8Q433 H451Q433-H435 PolarHBondContact OE1-CE1 3.36Å; Q433-H435 PolarHBondContact OE1-ND1 2.94Å; H435-H451 PolarHBondContact O-CE1 2.83Å; H435-H451 VanDerWaalsContact O-CE1 3.23Å; H435-H451 PolarHBondContact O-NE2 2.91Å
436H85.1Confident90Very high94 Ų9462 Ų6244%0.43531%0.308SS..  trans56.351.2179.7-57.6-78.2000113.3E438 E439 M440 H451 F453H436-E438 VanDerWaalsContact C-N 3.27Å; H436-E438 PolarHBondContact O-N 3.41Å; H436-E439 PolarHBondContact O-N 3.13Å; H436-M440 PolarHBondContact O-N 3.28Å; H436-H451 PolarHBondContact O-CD2 2.8Å; H436-H451 PolarHBondContact O-NE2 3.42Å; H436-F453 HydrophobicContact CB-CE1 4.22Å
437E86.5Confident90Very high143 Ų14362.2 Ų62.267%0.66831%0.31SS*.G310 helixtrans-62.6-32.5-176.9-63.1-179.8-175.100112.8P434 E439 M440P434-E437 WeakPolarHBondContact O-CG 3.45Å; E437-E439 VanDerWaalsContact C-N 3.27Å; E437-E439 PolarHBondContact O-N 3.43Å; E437-M440 WeakPolarHBondContact O-CB 3.42Å; E437-M440 PolarHBondContact O-N 3.12Å; E437-M440 VanDerWaalsContact O-N 3.11Å
438E85.6Confident90Very high157 Ų15762.6 Ų62.673%0.73431%0.308SS*.G310 helixtrans-68.2-22.4178.967.9-149.7166.200114.2H436 I460H436-E438 VanDerWaalsContact C-N 3.27Å; H436-E438 PolarHBondContact O-N 3.41Å; E438-I460 WeakPolarHBondContact O-CD1 3.25Å
439E87.5Confident90Very high81 Ų8162.7 Ų62.738%0.37931%0.308SS..G310 helixtrans-1059175.2-65.7-179.7-179.700111.5H436 E437 H451 T452 F453H436-E439 PolarHBondContact O-N 3.13Å; E437-E439 VanDerWaalsContact C-N 3.27Å; E437-E439 PolarHBondContact O-N 3.43Å; E439-H451 WeakPolarHBondContact O-CA 3.49Å; E439-T452 WeakPolarHBondContact O-CG2 3.4Å; E439-T452 PolarHBondContact O-N 3.37Å; E439-F453 WeakPolarHBondContact OE2-CD1 3.42Å
440M90.7Very high90.1Very high16 Ų1661.3 Ų61.38%0.07930%0.3CS..EExtended strand (participates in β ladder)trans-96.3131.4177.8-164.7-174.6-58.800110.6K426 C428 H436 E437 F442 F450 H451K426-M440 HydrophobicContact CB-SD 4.26Å; K426-M440 HydrophobicContact CG-SD 4.07Å; C428-M440 HydrophobicContact CB-CE 4.4Å; H436-M440 PolarHBondContact O-N 3.28Å; E437-M440 WeakPolarHBondContact O-CB 3.42Å; E437-M440 PolarHBondContact O-N 3.12Å; E437-M440 VanDerWaalsContact O-N 3.11Å; M440-F442 HydrophobicContact CG-CE1 4.26Å; M440-F442 HydrophobicContact SD-CE1 4.16Å; M440-F450 WeakPolarHBondContact CA-O 3.23Å; M440-H451 WeakPolarHBondContact CE-NE2 3.21Å
441M91.3Very high90.3Very high14 Ų1458.6 Ų58.67%0.06928%0.283CS..EExtended strand (participates in β ladder)trans-125.6154.317957.9-171.1-64.200111.6G449 F450 T452 M457 I460 P461 W465M441-G449 CarbonylContact O-C 3.54Å; M441-G449 WeakPolarHBondContact O-CA 3.33Å; M441-F450 WeakPolarHBondContact CG-O 3.32Å; M441-F450 PolarHBondContact N-O 3Å; M441-F450 PolarHBondContact O-N 3.33Å; M441-T452 HydrophobicContact SD-CG2 4.24Å; M441-M457 HydrophobicContact CE-CE 3.79Å; M441-M457 HydrophobicContact SD-CE 3.12Å; M441-M457 WeakPolarHBondContact SD-CE 3.4Å; M441-I460 HydrophobicContact CB-CG2 4.44Å; M441-P461 HydrophobicContact CE-CG 3.43Å; M441-P461 VanDerWaalsContact CE-CG 3.43Å; M441-P461 HydrophobicContact SD-CG 4.44Å; M441-W465 HydrophobicContact CE-CB 3.53Å; M441-W465 HydrophobicContact CE-CD2 3.27Å; M441-W465 HydrophobicContact CE-CE3 3.64Å; M441-W465 HydrophobicContact CE-CG 3.19Å; M441-W465 HydrophobicContact CE-CZ3 4.42Å; M441-W465 HydrophobicContact CG-CE3 4.5Å; M441-W465 HydrophobicContact SD-CD2 4.41Å
442F93.5Very high90.3Very high70 Ų7056.6 Ų56.631%0.30727%0.269SS..EExtended strand (participates in β ladder)trans-109.3138.6-175.6-48.3-28.1000110.3M423 K426 M440 D444 R448M423-F442 HydrophobicContact CG-CE2 4.19Å; K426-F442 HydrophobicContact CB-CE1 4.19Å; K426-F442 HydrophobicContact CB-CZ 4.48Å; K426-F442 HydrophobicContact CD-CD1 4.49Å; K426-F442 HydrophobicContact CD-CE1 4.46Å; K426-F442 HydrophobicContact CG-CD1 4.06Å; K426-F442 HydrophobicContact CG-CE1 3.7Å; K426-F442 HydrophobicContact CG-CZ 4.36Å; M440-F442 HydrophobicContact CG-CE1 4.26Å; M440-F442 HydrophobicContact SD-CE1 4.16Å; F442-D444 PolarHBondContact O-N 3.25Å; F442-R448 WeakPolarHBondContact CA-O 3.16Å
443C93.4Very high90.2Very high1 Ų155.6 Ų55.61%0.00726%0.263CS..  trans-74123.5176.3169.80000111.3K445 C446 D447 R448 F450 W465 C467C443-K445 PolarHBondContact O-N 2.89Å; C443-K445 PolarHBondContact SG-N 3.33Å; C443-K445 VanDerWaalsContact SG-N 3.44Å; C443-C446 PolarHBondContact O-N 3.16Å; C443-C446 VanDerWaalsContact O-N 3.08Å; C443-D447 VanDerWaalsContact O-CA 3.31Å; C443-D447 WeakPolarHBondContact O-CA 3.25Å; C443-D447 PolarHBondContact O-N 3.41Å; C443-R448 PolarHBondContact N-O 3.34Å; C443-F450 HydrophobicContact CB-CE2 4.3Å; C443-W465 HydrophobicContact CB-CE3 4.09Å; C443-W465 HydrophobicContact CB-CZ3 3.75Å; C443-C467 HydrophobicContact CB-CB 3.98Å; C443-C467 PolarHBondContact SG-N 3.47Å; C443-C467 PolarHBondContact SG-SG 3.16Å
444D90.7Very high90.2Very high79 Ų7952.8 Ų52.842%0.42225%0.253SS..THydrogen-bonded Turntrans-61.3-21.1-178.9-65.8-42.9000114.4F442 C464 W465F442-D444 PolarHBondContact O-N 3.25Å; D444-C464 WeakPolarHBondContact OD2-CA 3.13Å; D444-C464 VanDerWaalsContact OD2-CB 3.27Å; D444-C464 WeakPolarHBondContact OD2-CB 3.06Å; D444-W465 PolarHBondContact N-O 2.89Å; D444-W465 PolarHBondContact OD2-N 3.32Å
445K89.8Confident90.1Very high81 Ų8152.6 Ų52.635%0.35225%0.251SS..THydrogen-bonded Turntrans-92.6-19.2177.8-67.5-161.5-177.5-161.50115.8L411 K414 C443 V466 C470L411-K445 WeakPolarHBondContact CD1-O 3.31Å; K414-K445 WeakPolarHBondContact CD-O 2.98Å; C443-K445 PolarHBondContact O-N 2.89Å; C443-K445 PolarHBondContact SG-N 3.33Å; C443-K445 VanDerWaalsContact SG-N 3.44Å; K445-V466 HydrophobicContact CB-CG1 4.24Å; K445-V466 HydrophobicContact CD-CG1 3.78Å; K445-V466 HydrophobicContact CD-CG2 4.24Å; K445-V466 HydrophobicContact CG-CG1 3.97Å; K445-V466 HydrophobicContact CG-CG2 4Å; K445-C470 HydrophobicContact CB-CB 3.78Å; K445-C470 HydrophobicContact CD-CB 4.18Å; K445-C470 HydrophobicContact CG-CB 4.49Å
446C91.7Very high90.2Very high1 Ų150.3 Ų50.31%0.00726%0.259CS..THydrogen-bonded Turntrans-144.13.2-178.370.30000114.2Y418 C443 R448 C467 C470Y418-C446 WeakPolarHBondContact OH-CA 3.39Å; Y418-C446 WeakPolarHBondContact OH-CB 3.36Å; Y418-C446 PolarHBondContact OH-O 3.15Å; C443-C446 PolarHBondContact O-N 3.16Å; C443-C446 VanDerWaalsContact O-N 3.08Å; C446-R448 PolarHBondContact O-N 2.79Å; C446-C467 VanDerWaalsContact SG-SG 3.63Å; C446-C470 VanDerWaalsContact SG-SG 3.68Å
447D93.4Very high90.1Very high16 Ų1648.2 Ų48.29%0.08625%0.249CC..  trans51.625.6176.4-16448.2000114.3M407 L411 I415 W420 K426 C443M407-D447 HydrophobicContact CE-CB 4.34Å; M407-D447 WeakPolarHBondContact CE-OD2 3.19Å; L411-D447 HydrophobicContact CD1-CB 4.16Å; I415-D447 HydrophobicContact CD1-CB 3.9Å; I415-D447 HydrophobicContact CG1-CB 4.35Å; W420-D447 PolarHBondContact NE1-OD2 3.43Å; K426-D447 WeakPolarHBondContact CE-O 3.23Å; K426-D447 VanDerWaalsContact NZ-CG 3.31Å; K426-D447 PolarHBondContact NZ-O 2.56Å; K426-D447 IonicContact NZ-OD1 3.96Å; K426-D447 IonicContact NZ-OD2 3.79Å; K426-D447 PolarHBondContact NZ-OD2 3.41Å; C443-D447 VanDerWaalsContact O-CA 3.31Å; C443-D447 WeakPolarHBondContact O-CA 3.25Å; C443-D447 PolarHBondContact O-N 3.41Å
448R92.9Very high89.7Confident37 Ų3749.6 Ų49.614%0.1426%0.261CS..  trans-83.7140.9173.1-72.8-170.2-173.1108.5-2.3109.3H356 Y418 F442 C443 C446 F450H356-R448 PolarHBondContact CE1-NH1 3.06Å; H356-R448 VanDerWaalsContact CE1-NH1 3.35Å; H356-R448 PolarHBondContact ND1-NH1 2.92Å; Y418-R448 HydrophobicContact CE2-CG 4.35Å; F442-R448 WeakPolarHBondContact CA-O 3.16Å; C443-R448 PolarHBondContact N-O 3.34Å; C446-R448 PolarHBondContact O-N 2.79Å; R448-F450 HydrophobicContact CB-CD2 4.48Å; R448-F450 HydrophobicContact CB-CE2 3.64Å; R448-F450 HydrophobicContact CB-CZ 4.16Å; R448-F450 VanDerWaalsContact O-CD2 3.27Å; R448-F450 WeakPolarHBondContact O-CD2 3.48Å; R448-F450 WeakPolarHBondContact O-CE2 3.35Å
449G93.9Very high89.6Confident1 Ų146 Ų461%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-81.7143.1177.900000112.4C428 T429 M441C428-G449 CarbonylContact C-O 3.53Å; C428-G449 WeakPolarHBondContact CA-O 3.33Å; T429-G449 PolarHBondContact N-O 2.95Å; T429-G449 PolarHBondContact OG1-O 3.46Å; T429-G449 VanDerWaalsContact OG1-O 3.05Å; M441-G449 CarbonylContact O-C 3.54Å; M441-G449 WeakPolarHBondContact O-CA 3.33Å
450F94.5Very high89.6Confident5 Ų546 Ų462%0.02226%0.255CS..EExtended strand (participates in β ladder)trans-144.5134.6174.4-62.1-95000109T429 V430 M440 M441 C443 R448 V455 W465 C467 L469T429-F450 HydrophobicContact CG2-CE1 4.2Å; T429-F450 HydrophobicContact CG2-CZ 4.3Å; V430-F450 HydrophobicContact CG2-CD1 3.91Å; V430-F450 HydrophobicContact CG2-CE1 4.38Å; M440-F450 WeakPolarHBondContact CA-O 3.23Å; M441-F450 WeakPolarHBondContact CG-O 3.32Å; M441-F450 PolarHBondContact N-O 3Å; M441-F450 PolarHBondContact O-N 3.33Å; C443-F450 HydrophobicContact CB-CE2 4.3Å; R448-F450 HydrophobicContact CB-CD2 4.48Å; R448-F450 HydrophobicContact CB-CE2 3.64Å; R448-F450 HydrophobicContact CB-CZ 4.16Å; R448-F450 VanDerWaalsContact O-CD2 3.27Å; R448-F450 WeakPolarHBondContact O-CD2 3.48Å; R448-F450 WeakPolarHBondContact O-CE2 3.35Å; F450-V455 HydrophobicContact CB-CG1 3.93Å; F450-V455 HydrophobicContact CD1-CG1 3.68Å; F450-V455 HydrophobicContact CG-CG1 4.12Å; F450-W465 HydrophobicContact CB-CH2 3.9Å; F450-W465 HydrophobicContact CB-CZ3 4.4Å; F450-W465 HydrophobicContact CD1-CH2 4.39Å; F450-W465 AromaticContact CD2-CH2 3.44Å; F450-W465 HydrophobicContact CD2-CH2 3.44Å; F450-W465 VanDerWaalsContact CD2-CH2 3.44Å; F450-W465 AromaticContact CD2-CZ3 3.55Å; F450-W465 HydrophobicContact CD2-CZ3 3.55Å; F450-W465 HydrophobicContact CE2-CH2 4.02Å; F450-W465 HydrophobicContact CE2-CZ3 4.12Å; F450-W465 AromaticContact CG-CH2 3.66Å; F450-W465 HydrophobicContact CG-CH2 3.66Å; F450-W465 HydrophobicContact CG-CZ3 4.19Å; F450-C467 HydrophobicContact CD2-CB 4.18Å; F450-C467 HydrophobicContact CE1-CB 4.3Å; F450-C467 HydrophobicContact CE2-CB 3.47Å; F450-C467 VanDerWaalsContact CE2-CB 3.47Å; F450-C467 HydrophobicContact CZ-CB 3.55Å; F450-L469 HydrophobicContact CZ-CD1 4.44Å
451H93.6Very high89.3Confident2 Ų247.5 Ų47.51%0.00927%0.266CS..EExtended strand (participates in β ladder)trans-74.5143.1166.3-63.8118.5000110.4C428 C431 H435 H436 E439 M440 F453 C454 V455C428-H451 VanDerWaalsContact CB-CE1 3.42Å; C428-H451 WeakPolarHBondContact CB-CE1 3.43Å; C428-H451 WeakPolarHBondContact CB-ND1 3.31Å; C428-H451 PolarHBondContact SG-N 2.98Å; C428-H451 VanDerWaalsContact SG-N 3.44Å; C428-H451 PolarHBondContact SG-ND1 2.92Å; C428-H451 VanDerWaalsContact SG-ND1 3.44Å; C431-H451 PolarHBondContact SG-ND1 3.18Å; C431-H451 VanDerWaalsContact SG-ND1 3.44Å; H435-H451 PolarHBondContact O-CE1 2.83Å; H435-H451 VanDerWaalsContact O-CE1 3.23Å; H435-H451 PolarHBondContact O-NE2 2.91Å; H436-H451 PolarHBondContact O-CD2 2.8Å; H436-H451 PolarHBondContact O-NE2 3.42Å; E439-H451 WeakPolarHBondContact O-CA 3.49Å; M440-H451 WeakPolarHBondContact CE-NE2 3.21Å; H451-F453 VanDerWaalsContact C-N 3.28Å; H451-F453 HydrophobicContact CB-CD1 3.79Å; H451-F453 HydrophobicContact CB-CD2 4.17Å; H451-F453 HydrophobicContact CB-CE1 3.47Å; H451-F453 VanDerWaalsContact CB-CE1 3.47Å; H451-F453 HydrophobicContact CB-CE2 3.86Å; H451-F453 HydrophobicContact CB-CG 4.13Å; H451-F453 HydrophobicContact CB-CZ 3.49Å; H451-F453 VanDerWaalsContact CB-CZ 3.49Å; H451-F453 AromaticContact CD2-CE1 3.96Å; H451-F453 AromaticContact CD2-CZ 4Å; H451-F453 AromaticContact CG-CE1 3.64Å; H451-F453 AromaticContact CG-CZ 3.41Å; H451-F453 VanDerWaalsContact CG-CZ 3.41Å; H451-F453 AromaticContact ND1-CZ 3.57Å; H451-F453 PolarHBondContact O-N 3.25Å; H451-C454 HydrophobicContact CB-CB 3.89Å; H451-C454 WeakPolarHBondContact O-CB 3.3Å; H451-C454 PolarHBondContact O-N 2.97Å; H451-V455 PolarHBondContact O-N 3.08Å
452T90.1Very high88.8Confident7 Ų756.4 Ų56.44%0.04331%0.31CS..THydrogen-bonded Turntrans-48.4-51.2172.551.20000111E439 M441 C454 V455 G456 M457 I460E439-T452 WeakPolarHBondContact O-CG2 3.4Å; E439-T452 PolarHBondContact O-N 3.37Å; M441-T452 HydrophobicContact SD-CG2 4.24Å; T452-C454 VanDerWaalsContact C-N 3.34Å; T452-C454 PolarHBondContact O-N 3.41Å; T452-V455 CarbonylContact O-C 3.54Å; T452-V455 WeakPolarHBondContact O-CG2 3Å; T452-V455 PolarHBondContact O-N 3.4Å; T452-G456 PolarHBondContact O-N 2.84Å; T452-G456 VanDerWaalsContact O-N 3.09Å; T452-M457 CarbonylContact C-O 3.25Å; T452-M457 WeakPolarHBondContact CB-O 3.32Å; T452-M457 PolarHBondContact O-N 3.15Å; T452-I460 HydrophobicContact CG2-CG1 3.71Å
453F90Very high88.4Confident104 Ų10456.3 Ų56.346%0.45633%0.329SS..G310 helixtrans-67.9-27.4179.261.2-98.2000114.2H436 E439 H451 V455 G456H436-F453 HydrophobicContact CB-CE1 4.22Å; E439-F453 WeakPolarHBondContact OE2-CD1 3.42Å; H451-F453 VanDerWaalsContact C-N 3.28Å; H451-F453 HydrophobicContact CB-CD1 3.79Å; H451-F453 HydrophobicContact CB-CD2 4.17Å; H451-F453 HydrophobicContact CB-CE1 3.47Å; H451-F453 VanDerWaalsContact CB-CE1 3.47Å; H451-F453 HydrophobicContact CB-CE2 3.86Å; H451-F453 HydrophobicContact CB-CG 4.13Å; H451-F453 HydrophobicContact CB-CZ 3.49Å; H451-F453 VanDerWaalsContact CB-CZ 3.49Å; H451-F453 AromaticContact CD2-CE1 3.96Å; H451-F453 AromaticContact CD2-CZ 4Å; H451-F453 AromaticContact CG-CE1 3.64Å; H451-F453 AromaticContact CG-CZ 3.41Å; H451-F453 VanDerWaalsContact CG-CZ 3.41Å; H451-F453 AromaticContact ND1-CZ 3.57Å; H451-F453 PolarHBondContact O-N 3.25Å; F453-V455 VanDerWaalsContact C-N 3.28Å; F453-V455 PolarHBondContact O-N 3.33Å; F453-G456 PolarHBondContact O-N 3.03Å
454C86.3Confident88Confident33 Ų3362 Ų6222%0.22337%0.368CS..G310 helixtrans-72.6-22.9177.1-82.40000113.1V430 H451 T452V430-C454 HydrophobicContact CB-CB 3.72Å; V430-C454 HydrophobicContact CG1-CB 4.08Å; V430-C454 HydrophobicContact CG2-CB 3.74Å; H451-C454 HydrophobicContact CB-CB 3.89Å; H451-C454 WeakPolarHBondContact O-CB 3.3Å; H451-C454 PolarHBondContact O-N 2.97Å; T452-C454 VanDerWaalsContact C-N 3.34Å; T452-C454 PolarHBondContact O-N 3.41Å
455V87.8Confident88Confident48 Ų4860 Ų6029%0.29135%0.354SS..G310 helixtrans-109.210175.5-60.60000112.5V430 F450 H451 T452 F453 M457 W465V430-V455 HydrophobicContact CG2-CG1 4.41Å; F450-V455 HydrophobicContact CB-CG1 3.93Å; F450-V455 HydrophobicContact CD1-CG1 3.68Å; F450-V455 HydrophobicContact CG-CG1 4.12Å; H451-V455 PolarHBondContact O-N 3.08Å; T452-V455 CarbonylContact O-C 3.54Å; T452-V455 WeakPolarHBondContact O-CG2 3Å; T452-V455 PolarHBondContact O-N 3.4Å; F453-V455 VanDerWaalsContact C-N 3.28Å; F453-V455 PolarHBondContact O-N 3.33Å; V455-M457 HydrophobicContact CG2-CE 3.55Å; V455-M457 HydrophobicContact CG2-CG 4.08Å; V455-M457 HydrophobicContact CG2-SD 4.31Å; V455-W465 HydrophobicContact CG2-CZ2 4.3Å
456G85.1Confident88Confident67 Ų6758 Ų5869%0.69135%0.349SS*.THydrogen-bonded Turntrans72.133175.100000114.6T452 F453T452-G456 PolarHBondContact O-N 2.84Å; T452-G456 VanDerWaalsContact O-N 3.09Å; F453-G456 PolarHBondContact O-N 3.03Å
457M83.1Confident88Confident49 Ų4958.1 Ų58.124%0.24135%0.349CS..  trans-109.5143.1174.2-61.4-172.7-49.500110.5M441 T452 V455 W465M441-M457 HydrophobicContact CE-CE 3.79Å; M441-M457 HydrophobicContact SD-CE 3.12Å; M441-M457 WeakPolarHBondContact SD-CE 3.4Å; T452-M457 CarbonylContact C-O 3.25Å; T452-M457 WeakPolarHBondContact CB-O 3.32Å; T452-M457 PolarHBondContact O-N 3.15Å; V455-M457 HydrophobicContact CG2-CE 3.55Å; V455-M457 HydrophobicContact CG2-CG 4.08Å; V455-M457 HydrophobicContact CG2-SD 4.31Å; M457-W465 HydrophobicContact CE-CZ2 4.37Å
458D78.1Confident87.6Confident172 Ų17262.7 Ų62.792%0.9237%0.373SS*.SBendtrans-83-23.7-178.1-60.3-41.7000112.9
459S85.1Confident87.2Confident83 Ų8361.5 Ų61.558%0.5837%0.37SS*.SBendtrans-152.3162.6179.467.60000111.7
460I87.1Confident86.9Confident80 Ų8061.5 Ų61.541%0.4137%0.37SS..  trans-65.6123.9173.1-60.8176.4000108.4E438 M441 T452E438-I460 WeakPolarHBondContact O-CD1 3.25Å; M441-I460 HydrophobicContact CB-CG2 4.44Å; T452-I460 HydrophobicContact CG2-CG1 3.71Å
461P84.3Confident86.4Confident47 Ų4763.7 Ų63.731%0.30539%0.385SS..  trans-67.6144.6-179.226.9-33.9000111.7M441 G463 W465M441-P461 HydrophobicContact CE-CG 3.43Å; M441-P461 VanDerWaalsContact CE-CG 3.43Å; M441-P461 HydrophobicContact SD-CG 4.44Å; P461-G463 PolarHBondContact O-N 3.11Å; P461-W465 HydrophobicContact CG-CB 3.98Å; P461-W465 HydrophobicContact CG-CG 4.09Å
462M80.4Confident85.5Confident202 Ų20270.3 Ų70.3100%0.99541%0.414SS*.SBendtrans-77112.3172.8-63.5-179.97100109.7
463G84.6Confident84.2Confident67 Ų6774 Ų7469%0.69143%0.434SS*.SBendtrans111.5-156.4175.600000113.8P461P461-G463 PolarHBondContact O-N 3.11Å
464C85.2Confident82.6Confident122 Ų12274.6 Ų74.682%0.82444%0.44SS*.  trans-72.9132.5-175.9-67.60000112.1D444D444-C464 WeakPolarHBondContact OD2-CA 3.13Å; D444-C464 VanDerWaalsContact OD2-CB 3.27Å; D444-C464 WeakPolarHBondContact OD2-CB 3.06Å
465W90.8Very high80.5Confident37 Ų3777.5 Ų77.514%0.1446%0.461CS..  trans-126.4136.5176.1-178.186.6000112.3M441 C443 D444 F450 V455 M457 P461 C467M441-W465 HydrophobicContact CE-CB 3.53Å; M441-W465 HydrophobicContact CE-CD2 3.27Å; M441-W465 HydrophobicContact CE-CE3 3.64Å; M441-W465 HydrophobicContact CE-CG 3.19Å; M441-W465 HydrophobicContact CE-CZ3 4.42Å; M441-W465 HydrophobicContact CG-CE3 4.5Å; M441-W465 HydrophobicContact SD-CD2 4.41Å; C443-W465 HydrophobicContact CB-CE3 4.09Å; C443-W465 HydrophobicContact CB-CZ3 3.75Å; D444-W465 PolarHBondContact N-O 2.89Å; D444-W465 PolarHBondContact OD2-N 3.32Å; F450-W465 HydrophobicContact CB-CH2 3.9Å; F450-W465 HydrophobicContact CB-CZ3 4.4Å; F450-W465 HydrophobicContact CD1-CH2 4.39Å; F450-W465 AromaticContact CD2-CH2 3.44Å; F450-W465 HydrophobicContact CD2-CH2 3.44Å; F450-W465 VanDerWaalsContact CD2-CH2 3.44Å; F450-W465 AromaticContact CD2-CZ3 3.55Å; F450-W465 HydrophobicContact CD2-CZ3 3.55Å; F450-W465 HydrophobicContact CE2-CH2 4.02Å; F450-W465 HydrophobicContact CE2-CZ3 4.12Å; F450-W465 AromaticContact CG-CH2 3.66Å; F450-W465 HydrophobicContact CG-CH2 3.66Å; F450-W465 HydrophobicContact CG-CZ3 4.19Å; V455-W465 HydrophobicContact CG2-CZ2 4.3Å; M457-W465 HydrophobicContact CE-CZ2 4.37Å; P461-W465 HydrophobicContact CG-CB 3.98Å; P461-W465 HydrophobicContact CG-CG 4.09Å; W465-C467 HydrophobicContact CH2-CB 3.49Å; W465-C467 VanDerWaalsContact CH2-CB 3.49Å; W465-C467 HydrophobicContact CZ2-CB 4.17Å; W465-C467 HydrophobicContact CZ3-CB 3.82Å
466V90.8Very high78Confident39 Ų3980.7 Ų80.724%0.23648%0.481CS..  trans-127.2121.8-177.8-176.30000108.6K445 C470K445-V466 HydrophobicContact CB-CG1 4.24Å; K445-V466 HydrophobicContact CD-CG1 3.78Å; K445-V466 HydrophobicContact CD-CG2 4.24Å; K445-V466 HydrophobicContact CG-CG1 3.97Å; K445-V466 HydrophobicContact CG-CG2 4Å; V466-C470 HydrophobicContact CG1-CB 3.39Å
467C90.7Very high75.8Confident2 Ų283 Ų831%0.01448%0.484CS..  trans-63.1153.7177.367.30000112.2C443 C446 F450 W465 L469 C470 S471C443-C467 HydrophobicContact CB-CB 3.98Å; C443-C467 PolarHBondContact SG-N 3.47Å; C443-C467 PolarHBondContact SG-SG 3.16Å; C446-C467 VanDerWaalsContact SG-SG 3.63Å; F450-C467 HydrophobicContact CD2-CB 4.18Å; F450-C467 HydrophobicContact CE1-CB 4.3Å; F450-C467 HydrophobicContact CE2-CB 3.47Å; F450-C467 VanDerWaalsContact CE2-CB 3.47Å; F450-C467 HydrophobicContact CZ-CB 3.55Å; W465-C467 HydrophobicContact CH2-CB 3.49Å; W465-C467 VanDerWaalsContact CH2-CB 3.49Å; W465-C467 HydrophobicContact CZ2-CB 4.17Å; W465-C467 HydrophobicContact CZ3-CB 3.82Å; C467-L469 PolarHBondContact O-N 3.16Å; C467-C470 PolarHBondContact O-N 3.13Å; C467-S471 PolarHBondContact O-N 3.08Å; C467-S471 PolarHBondContact O-OG 2.8Å
468D86.6Confident73.7Confident112 Ų11289.3 Ų89.360%0.59951%0.513SS*.Hα-helixtrans-52.2-32.4179.4-71.1-17.6000114.1S471 K472D468-S471 PolarHBondContact O-N 3.1Å; D468-K472 VanDerWaalsContact O-CG 3.3Å; D468-K472 WeakPolarHBondContact O-CG 3.42Å; D468-K472 PolarHBondContact O-N 3.23Å; D468-K472 VanDerWaalsContact O-N 3.15Å
469L83.9Confident71.6Confident12 Ų1291.1 Ų91.16%0.06351%0.513CS..Hα-helixtrans-57.5-54.4174.3-66.8-175.9000109.9I354 H356 F450 C467 S471 K472I354-L469 HydrophobicContact CB-CD2 4.35Å; I354-L469 HydrophobicContact CG2-CD1 3.94Å; I354-L469 HydrophobicContact CG2-CD2 4.03Å; I354-L469 HydrophobicContact CG2-CG 4.31Å; I354-L469 VanDerWaalsContact O-CD2 3.26Å; I354-L469 WeakPolarHBondContact O-CD2 3.39Å; H356-L469 VanDerWaalsContact CD2-C 3.46Å; H356-L469 VanDerWaalsContact CD2-CB 3.43Å; H356-L469 WeakPolarHBondContact CD2-CB 3.04Å; H356-L469 PolarHBondContact CD2-O 3.43Å; H356-L469 WeakPolarHBondContact NE2-CA 3.33Å; H356-L469 VanDerWaalsContact NE2-CB 3.3Å; H356-L469 WeakPolarHBondContact NE2-CB 3.49Å; H356-L469 PolarHBondContact NE2-O 3.19Å; F450-L469 HydrophobicContact CZ-CD1 4.44Å; C467-L469 PolarHBondContact O-N 3.16Å; L469-S471 VanDerWaalsContact C-N 3.34Å; L469-S471 PolarHBondContact O-N 2.97Å; L469-K472 PolarHBondContact O-N 3.32Å
470C87Confident69.3Low1 Ų196.5 Ų96.51%0.00753%0.525CS..Hα-helixtrans-74.8-20.9-179.6-78.70000114.2H356 K445 C446 V466 C467H356-C470 PolarHBondContact NE2-N 3.42Å; K445-C470 HydrophobicContact CB-CB 3.78Å; K445-C470 HydrophobicContact CD-CB 4.18Å; K445-C470 HydrophobicContact CG-CB 4.49Å; C446-C470 VanDerWaalsContact SG-SG 3.68Å; V466-C470 HydrophobicContact CG1-CB 3.39Å; C467-C470 PolarHBondContact O-N 3.13Å
471S83.9Confident66.7Low51 Ų5196.4 Ų96.436%0.35754%0.544SS..Hα-helixtrans-71.7-36.9174.8-62.20000111.9C467 D468 L469C467-S471 PolarHBondContact O-N 3.08Å; C467-S471 PolarHBondContact O-OG 2.8Å; D468-S471 PolarHBondContact O-N 3.1Å; L469-S471 VanDerWaalsContact C-N 3.34Å; L469-S471 PolarHBondContact O-N 2.97Å
472K75.4Confident64.3Low141 Ų141102.7 Ų102.761%0.61357%0.569SS**Hα-helixtrans-73.9-23.4179.2-69.7170.7-173.9175.40113.9D468 L469 I474 S475D468-K472 VanDerWaalsContact O-CG 3.3Å; D468-K472 WeakPolarHBondContact O-CG 3.42Å; D468-K472 PolarHBondContact O-N 3.23Å; D468-K472 VanDerWaalsContact O-N 3.15Å; L469-K472 PolarHBondContact O-N 3.32Å; K472-I474 PolarHBondContact O-N 2.94Å; K472-S475 PolarHBondContact O-N 3.18Å
473D61.8Low62.2Low85 Ų8599.8 Ų99.846%0.45556%0.563SS.*G310 helixtrans-68.9-10.6177.1-66.5-33.3000113.6H356 S475H356-D473 IonicContact CD2-OD1 3.79Å; H356-D473 IonicContact CD2-OD2 3.6Å; H356-D473 IonicContact CE1-OD2 3.54Å; H356-D473 IonicContact NE2-OD1 3.77Å; H356-D473 IonicContact NE2-OD2 2.78Å; H356-D473 PolarHBondContact NE2-OD2 3.41Å; D473-S475 VanDerWaalsContact C-N 3.33Å
474I57.2Low59.8Low116 Ų116106 Ų10660%0.59557%0.571SS**G310 helixtrans-82.1-13.9-178.3-54.4173.7000111.4K472K472-I474 PolarHBondContact O-N 2.94Å
475S41.6Very low57.5Low94 Ų94106.1 Ų106.166%0.65757%0.568SS**G310 helixtrans-91.13.5-167.7-46.70000116.3K472 D473 P477K472-S475 PolarHBondContact O-N 3.18Å; D473-S475 VanDerWaalsContact C-N 3.33Å; S475-P477 WeakPolarHBondContact O-CD 3.49Å
476T36.1Very low55Low116 Ų116110.4 Ų110.471%0.71260%0.601SS**  trans-102.696.2173.251.80000111.3Q478T476-Q478 PolarHBondContact O-N 3.41Å
477P38.9Very low52.5Low115 Ų115118.3 Ų118.375%0.74763%0.632SS**  trans-68113.9161.226.8-28.5000107.9S475 K479S475-P477 WeakPolarHBondContact O-CD 3.49Å; P477-K479 PolarHBondContact O-N 3.41Å
478Q38.5Very low50Low182 Ų182128.4 Ų128.485%0.8568%0.676SS**  trans-58.5111.1165.6-69.5-148-16.800109T476 K480T476-Q478 PolarHBondContact O-N 3.41Å; Q478-K480 PolarHBondContact O-N 3.24Å
479K34.5Very low47.8Very low210 Ų210127.7 Ų127.791%0.91369%0.686SS**  trans-61.6100.8162.8-87-177.5175.1175.50107.6P477 G481P477-K479 PolarHBondContact O-N 3.41Å; K479-G481 PolarHBondContact O-N 3.18Å; K479-G481 VanDerWaalsContact O-N 3.16Å
480K35.2Very low45.5Very low196 Ų196140.9 Ų140.985%0.85274%0.742SS**  trans-52.9117.7162.5-74.3-178.6176.4178.60107.9Q478 Q482Q478-K480 PolarHBondContact O-N 3.24Å; K480-Q482 PolarHBondContact O-N 3.11Å; K480-Q482 VanDerWaalsContact O-N 3.11Å
481G32.8Very low43.5Very low78 Ų78147.9 Ų147.980%0.80478%0.779SS**  trans-59.3111.9171.200000109.7K479 T483K479-G481 PolarHBondContact O-N 3.18Å; K479-G481 VanDerWaalsContact O-N 3.16Å; G481-T483 PolarHBondContact O-N 3.48Å
482Q35.1Very low41.3Very low178 Ų178152.9 Ų152.983%0.83280%0.801SS**  trans-71117.8163.2-81.9179.3-2.500108.2K480 K484K480-Q482 PolarHBondContact O-N 3.11Å; K480-Q482 VanDerWaalsContact O-N 3.11Å; Q482-K484 PolarHBondContact O-N 3.19Å
483T36.1Very low39.4Very low142 Ų142153.6 Ų153.687%0.87181%0.812SS**  trans-54.4111.5162.225.70000109.5G481G481-T483 PolarHBondContact O-N 3.48Å
484K33.7Very low38.1Very low196 Ų196157.6 Ų157.685%0.85283%0.833SS**  trans-89115166.6-74-174.5177.1179.90108.7Q482Q482-K484 PolarHBondContact O-N 3.19Å
485T38.1Very low36.9Very low125 Ų125160.3 Ų160.377%0.76785%0.848SS**PPolyproline II helixtrans-65.1143.4162.441.20000110K487T485-K487 PolarHBondContact O-N 3.43Å
486P38.3Very low36.6Very low128 Ų128164.7 Ų164.783%0.83186%0.86SS**PPolyproline II helixtrans-81.7117.9176.431.4-28.8000109.5
487K36.8Very low36.7Very low204 Ų204168.1 Ų168.189%0.88787%0.871SS**PPolyproline II helixtrans-78.2120.5162.4-81.9-174.5174.4-1790108.5T485T485-K487 PolarHBondContact O-N 3.43Å
488K38.9Very low36.5Very low214 Ų214172.2 Ų172.293%0.9388%0.881SS**PPolyproline II helixtrans-51.3137.6162.2-83.9-179.4170.4-178.40110.2
489A40.8Very low36.3Very low97 Ų97171.4 Ų171.480%0.80288%0.883SS**  trans-134.1120.9160.700000109.2
490K35.8Very low36.5Very low289 Ų289167.9 Ų167.9100%1.25788%0.88SS**  trans55.40165.1-85.4178.7170.9179.70119.5

Retrieved 490 of 490 residues in 76.4 ms (Link to these results)