X5D2B6_HUMAN Loading...

Benzodiazapine receptor peripheral-associated protein 1 isoform J

AlphaFold DB , UniProt , Accession X5D2B6, Species HUMAN (Homo sapiens, Human), Gene BZRAP1, Length 917 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
1M34.8Very low34.7Very low208 Ų208150 Ų150100%1.02582%0.818SS**  01010-58.882.1-176.700109.2
2E39.3Very low34.8Very low160 Ų160149.6 Ų149.675%0.74882%0.815SS**  cis59.1145.121.1-34156.697.400112.4
3Q39.5Very low35.4Very low163 Ų163148 Ų14876%0.76282%0.817SS**  cis-142.7166.98.8-73-175.6-5.100108.9
4L38.3Very low35Very low139 Ų139140.6 Ų140.673%0.72879%0.791SS**  cis-171.5-178.9-21.9-99.6172.3000106.7
5T29.3Very low34.8Very low128 Ų128137.4 Ų137.479%0.78579%0.789SS**  trans74.7150.6148.1-63.90000118.7
6T29.7Very low34.5Very low117 Ų117140.1 Ų140.172%0.71880%0.795SS**  cis-169146.7-31.9-81.40000107.3
7L38.6Very low34.6Very low161 Ų161139.8 Ų139.884%0.84379%0.786SS**  trans-76.5156.6173.4-76.1168.4000113.2
8P31.1Very low35.1Very low123 Ų123138.6 Ų138.680%0.79979%0.785SS**  trans-125129.5141.234.9-26.7000114.1
9R31.2Very low35Very low239 Ų239143.5 Ų143.590%0.90279%0.79SS**  trans-106.7174.7151.3-105.4-175171.7-176.1-1.9106.6
10P44.3Very low34.7Very low129 Ų129141.3 Ų141.384%0.83879%0.791SS**  cis-123.5-165.9-41.837.8-21.9000109.7
11G26.1Very low34.6Very low83 Ų83142.5 Ų142.586%0.85680%0.795SS**  trans-177.3105.3169.100000114.5
12D36Very low34.9Very low145 Ų145137.7 Ų137.778%0.77578%0.779SS**  trans-137.1141.7172.3-173.629.6000107.3G14D12-G14 PolarHBondContact OD1-N 2.63Å
13P42.6Very low34.4Very low129 Ų129136.6 Ų136.684%0.83878%0.784SS**  -146.5148.996.136.8-20000115.2
14G29.2Very low34Very low45 Ų45140.3 Ų140.346%0.46479%0.791SS.*  trans-155.712.4-173.600000122.4D12D12-G14 PolarHBondContact OD1-N 2.63Å
15A32.3Very low33.7Very low92 Ų92142.8 Ų142.876%0.7680%0.799SS**  trans70.1111-174.200000114.2
16M29.9Very low33.6Very low180 Ų180141.4 Ų141.489%0.88779%0.794SS**  78.8106.874.8-76172.563.800114.5
17E36.6Very low33.5Very low135 Ų135148 Ų14863%0.63181%0.806SS**  41149.4127.6-77.1-67.591.200121.7W19E17-W19 PolarHBondContact OE2-N 2.73Å
18P43.4Very low33.3Very low119 Ų119146.1 Ų146.177%0.77380%0.801SS**  cis-131.1166.926.841-25.2000118.4
19W32.1Very low33.5Very low232 Ų232146.5 Ų146.588%0.87980%0.804SS**  trans-67.8142.9163-65.7-27.3000113.9E17E17-W19 PolarHBondContact OE2-N 2.73Å
20A29.2Very low33.4Very low99 Ų99138.9 Ų138.982%0.81880%0.8SS**  trans-160.7133.515300000112.7
21L32.4Very low32.8Very low167 Ų167145 Ų14587%0.87481%0.806SS**  trans-97.3175.8152.8-70.2171.8000108.1
22P42.1Very low33Very low106 Ų106144.8 Ų144.869%0.68880%0.804SS**  cis-124.6-177.9-13.339.2-25.5000112.2
23T28.2Very low32.6Very low137 Ų137141.9 Ų141.984%0.8481%0.809SS**  trans-157.4140.3143.9-13.20000111.3
24W31Very low32.2Very low242 Ų242143.9 Ų143.992%0.91781%0.807SS**  trans-81.3143.5171.6-74.727.4000110.4S26W24-S26 PolarHBondContact O-N 3.22Å
25H31.5Very low33.1Very low191 Ų191147 Ų14788%0.88482%0.818SS**  trans-86.298.1170.3-80.8-59.9000111.3
26S27.5Very low32.8Very low99 Ų99147.8 Ų147.869%0.69282%0.819SS**  trans-70.9139.9156.959.90000110.2W24W24-S26 PolarHBondContact O-N 3.22Å
27W27.7Very low32.9Very low255 Ų255144.9 Ų144.997%0.96682%0.816SS**  trans-113.9114.5166.4-107.212.5000110
28T33.8Very low32.5Very low122 Ų122143.5 Ų143.575%0.74883%0.828SS**PPolyproline II helixtrans-99.6147.2175.845.70000110.8
29P35.6Very low31.8Very low131 Ų131142.3 Ų142.385%0.85183%0.828SS**PPolyproline II helixtrans-63.9145.3175.8-22.734.3000113.3
30G29.3Very low32.3Very low79 Ų79137.7 Ų137.781%0.81483%0.828SS**PPolyproline II helixtrans-79144.1-178.600000114.9
31R32.9Very low32.2Very low256 Ų256138.2 Ų138.297%0.96683%0.825SS**PPolyproline II helixtrans-55.7160.5164-73.6167.1154.5-118.4-2.1111.9
32G30Very low32Very low80 Ų80138 Ų13883%0.82582%0.823SS**  cis142.7166.53.500000111.1
33G26.4Very low31.3Very low84 Ų84137 Ų13787%0.86683%0.825SS**  trans-175.358.5-173.200000116.9
34E35.4Very low31.2Very low171 Ų171137.4 Ų137.480%0.79982%0.821SS**  trans-81.4171.6162.7-114.6-145.6101.400110.6S36E34-S36 PolarHBondContact OE1-N 2.79Å
35P47.7Very low31.2Very low109 Ų109131.7 Ų131.771%0.70881%0.814SS**  cis-148173.935.744.1-24.8000118.8
36S26.8Very low32.4Very low109 Ų109128 Ų12876%0.76281%0.806SS**  168147.4113.851.30000113.4E34E34-S36 PolarHBondContact OE1-N 2.79Å
37S31.3Very low33Very low120 Ų120129.3 Ų129.384%0.83981%0.812SS**  trans-113.1142.5-172.6620000113.8
38A27.9Very low33.1Very low106 Ų106121.8 Ų121.888%0.87681%0.805SS**  trans-154.1134.515300000111.2
39A29.8Very low32.9Very low93 Ų93120 Ų12077%0.76980%0.802SS**  trans-106.5161.3158.700000108
40P41.7Very low32.6Very low136 Ų136120.8 Ų120.888%0.88380%0.798SS**  -149.6-164.885.340.1-20.6000115.1
41S27.6Very low32.6Very low109 Ų109124.1 Ų124.176%0.76279%0.793SS**  trans-105.1-176.4-165.2-177.90000114.4
42I28.8Very low32.4Very low162 Ų162118.3 Ų118.383%0.83178%0.78SS**  trans102.4143.7156.5-55.3175.8000118.3
43A26.7Very low32.2Very low87 Ų87121.1 Ų121.172%0.71977%0.772SS**  trans98.983.9158.900000121.4
44D26.9Very low32.3Very low144 Ų144124 Ų12477%0.7776%0.763SS**  45.3141.6105.2-129.4-50000125
45T29.4Very low32Very low123 Ų123121.9 Ų121.976%0.75576%0.756SS**  trans58.4149.1155.219.20000123.8
46P57.1Low31Very low112 Ų112125.7 Ų125.773%0.72776%0.757SS**  trans-114.6-174.1-172.444.6-34.2000114.3
47P41.3Very low31.1Very low127 Ų127126.1 Ų126.183%0.82576%0.76SS**  trans-134.1160.514339-27.7000115.1
48A27.9Very low30.9Very low98 Ų98127.7 Ų127.781%0.8175%0.754SS**  trans-89.9-170.6162.900000109.6
49A31.4Very low31Very low83 Ų83130.4 Ų130.469%0.68675%0.748SS**  cis-162.8-156.114.900000110.2
50L27.9Very low30.9Very low148 Ų148130 Ų13078%0.77574%0.74SS**  trans87.8137.1162.6-54.2-177.4000117.2
51Q30.5Very low30.3Very low150 Ų150128.9 Ų128.970%0.70174%0.735SS**  cis-169.8170.9-19.4-151.9174.528.100110.6
52L27.4Very low30.7Very low134 Ų134132.9 Ų132.970%0.70274%0.739SS**  trans73.5148.8159.2-59.5-178.2000118.4
53Q26.9Very low31.6Very low138 Ų138131 Ų13165%0.64574%0.737SS**  cis-170.7141.3-20.9-169.6-177.6-12.800110.4
54E27.5Very low31.8Very low146 Ų146135 Ų13568%0.68274%0.738SS**  trans60.1162.7154.7-86.3168.462.600121.2
55L28.8Very low31.9Very low126 Ų126131.2 Ų131.266%0.6673%0.733SS**  cis-143.1133.91-120176000111.1
56R26.8Very low31.9Very low189 Ų189131.9 Ų131.971%0.71373%0.732SS**  trans28.5128.8134.6178.1-170.7-83.9-95.90.3120.7E58R56-E58 IonicContact NH1-OE2 3.66Å
57S28.8Very low30.6Very low118 Ų118130.7 Ų130.783%0.82574%0.74SS**  -160.2127.9119.9-80.20000113
58E27.7Very low30.2Very low153 Ų153130.3 Ų130.372%0.71574%0.74SS**  trans-81.4-178.3161.3-65.9165.587.600107.8R56R56-E58 IonicContact NH1-OE2 3.66Å
59E29.1Very low30.3Very low162 Ų162131.4 Ų131.476%0.75774%0.742SS**  cis-171.7166.735.6-159.5-158.683.900111.8
60S28Very low30.5Very low85 Ų85138.7 Ų138.759%0.59475%0.752SS**  trans74.5147.9146.4-95.80000121.1
61S29.9Very low31.6Very low112 Ų112136.9 Ų136.978%0.78375%0.749SS**  cis-165.9166.3-18.9-113.50000111.2
62K35.1Very low31.8Very low194 Ų194136.9 Ų136.984%0.84376%0.759SS**  trans-130.1133.6-178.8-168.7174.7-178.3174.30113.3
63P48.9Very low31.9Very low121 Ų121133.9 Ų133.979%0.78676%0.76SS**  trans-82.5177.1170.1-14.831.5000115.1
64K31.3Very low32.1Very low173 Ų173130.9 Ų130.975%0.75277%0.767SS**  trans-142.5142.3171.1-178.3174.5-176.7-74.60112.7D66K64-D66 IonicContact NZ-OD1 3.46Å; K64-D66 PolarHBondContact NZ-OD1 3.49Å; K64-D66 IonicContact NZ-OD2 3.68Å; K64-D66 PolarHBondContact NZ-OD2 3.11Å
65G27.9Very low32.4Very low64 Ų64130.7 Ų130.766%0.6678%0.776SS**  trans172.7115165.600000108
66D30.4Very low32.7Very low136 Ų136132.1 Ų132.173%0.72778%0.784SS**  cis82.1127.649-63.3-48.9000113.9K64K64-D66 IonicContact NZ-OD1 3.46Å; K64-D66 PolarHBondContact NZ-OD1 3.49Å; K64-D66 IonicContact NZ-OD2 3.68Å; K64-D66 PolarHBondContact NZ-OD2 3.11Å
67G29.4Very low34Very low87 Ų87128 Ų12890%0.89778%0.782SS**  trans167.8101.6176.300000112.4
68S32.2Very low34.1Very low119 Ų119131.3 Ų131.383%0.83278%0.784SS**  trans-116.8140.4-178.7175.40000111.5
69S31.1Very low34.2Very low121 Ų121126.9 Ų126.985%0.84678%0.779SS**  trans-170.9145.7149.724.60000114.3
70R33.9Very low34.3Very low237 Ų237124 Ų12489%0.89478%0.783SS**  trans-105.2170.7157-120.3-178.9175.1-170.8-1.8106.4
71P51Low34.4Very low110 Ų110128.3 Ų128.371%0.71479%0.794SS**  -157.6-177.550.144.5-22.9000118.7
72V34.8Very low34.4Very low149 Ų149126.6 Ų126.690%0.90379%0.787SS**  trans63.6136.8151.5163.40000119.8
73G29.4Very low34Very low71 Ų71123.4 Ų123.473%0.73279%0.788SS**  cis160.4168.9-8.700000115.1
74G31.2Very low33.2Very low76 Ų76125.3 Ų125.378%0.78479%0.79SS**  trans88.3144.1173.400000115.5
75T34.7Very low33.5Very low142 Ų142123.3 Ų123.387%0.87180%0.795SS**  cis-152138.3-3.148.10000112.1
76D34.7Very low33.9Very low156 Ų156125.4 Ų125.483%0.83480%0.8SS**  trans-75179.3160-82.8-60.9000111.7
77P54.8Low33.9Very low103 Ų103128 Ų12867%0.66981%0.813SS**  cis-119.8-157.32.439.1-19.7000111.5
78E31.4Very low33.8Very low186 Ų186127.4 Ų127.487%0.86981%0.806SS**  cis-161.2160.49-151.9152.496.400108.8
79G29.2Very low33.9Very low60 Ų60130.1 Ų130.162%0.61981%0.806SS**  cis166.2170.4-1000000111.7
80A32Very low33.9Very low102 Ų102132.9 Ų132.984%0.84381%0.805SS**  trans66.1143.5167.900000118.9
81E30.1Very low33.6Very low175 Ų175126.5 Ų126.582%0.81880%0.803SS**  cis-169.6-179.7-14.6-117.6-79.760.400110
82A28.6Very low32.7Very low77 Ų77127.2 Ų127.264%0.63681%0.811SS**  trans8176.6154.400000120.4
83C27Very low32.4Very low126 Ų126126.2 Ų126.285%0.85181%0.811SS**  55.1136.3121.6-63.80000124.4
84L32.8Very low32.4Very low161 Ų161128.4 Ų128.484%0.84382%0.815SS**  trans-70.6170.7157.7-52.2168.3000111.4
85P37.8Very low32.3Very low131 Ų131128.2 Ų128.285%0.85181%0.812SS**  -142.9164.387.439.2-25.1000115.7
86S34.6Very low32.4Very low109 Ų109127.6 Ų127.676%0.76281%0.811SS**  trans-99132.8178.654.60000113.4
87L30.5Very low32.2Very low190 Ų190124.5 Ų124.5100%0.99581%0.807SS**  trans-165.6149.1150.8-152.266.7000112.2
88G28.2Very low31Very low74 Ų74126 Ų12676%0.76382%0.818SS**  trans140.6127.5166.700000114
89Q34.4Very low31Very low176 Ų176124.7 Ų124.782%0.82281%0.812SS**  trans-119.1160.2173.5-60.2-175.84.100111
90Q30.5Very low31.2Very low180 Ų180129.8 Ų129.884%0.84181%0.813SS**  trans61118.2163-59.2-178.624.300118.7
91A28.5Very low31.4Very low102 Ų102129.6 Ų129.684%0.84380%0.803SS**  -169.5150.5108.200000110.4
92S31.4Very low31.9Very low125 Ų125126 Ų12687%0.87479%0.786SS**  trans-100138.5-176.7-42.30000112.2
93S28.6Very low32.6Very low129 Ų129126.6 Ų126.690%0.90278%0.779SS**  trans-159138.6149.555.50000111.2
94S29.8Very low33.7Very low117 Ų117127.9 Ų127.982%0.81877%0.772SS**  trans-117.2124.3176.252.90000109.3
95G27.8Very low34.4Very low71 Ų71125.8 Ų125.873%0.73276%0.758SS**PPolyproline II helixtrans-77.4144.3167.700000111
96P37.8Very low35.2Very low130 Ų130125 Ų12584%0.84475%0.75SS**PPolyproline II helixtrans-73.5152.717631.5-34.7000111.7
97A30Very low36Very low91 Ų91125.9 Ų125.975%0.75274%0.742SS**PPolyproline II helixtrans-78.8158.7165.600000110.4
98C29.8Very low37.1Very low133 Ų133119.4 Ų119.490%0.89971%0.708SS**PPolyproline II helixtrans-70.2134.4175-1580000110.3
99Q31.2Very low38.4Very low160 Ų160120.7 Ų120.775%0.74870%0.697SS**PPolyproline II helixtrans-95.8170.9168.6-65.5-179.6-84.700109.7
100R33Very low39.4Very low167 Ų167119.2 Ų119.263%0.6369%0.69SS**PPolyproline II helixtrans-85.2152.7179.3-87.2-170.9-71.2161.9-11110.8E102R100-E102 VanDerWaalsContact C-N 3.26Å; R100-E102 WeakPolarHBondContact CB-OE1 3.5Å; R100-E102 WeakPolarHBondContact CD-OE2 3.27Å; R100-E102 IonicContact CZ-OE2 3.69Å; R100-E102 IonicContact NE-OE2 3.47Å; R100-E102 IonicContact NH1-OE2 2.67Å; R100-E102 PolarHBondContact NH1-OE2 3.01Å; R100-E102 PolarHBondContact O-N 3.42Å
101P36.9Very low40.8Very low98 Ų98115.5 Ų115.564%0.63668%0.68SS**THydrogen-bonded Turntrans-67.3-25.5-179.728.7-35.2000113.1D103 E104P101-D103 PolarHBondContact O-N 2.96Å; P101-E104 PolarHBondContact O-N 3.11Å; P101-E104 VanDerWaalsContact O-N 3.11Å
102E40Very low42.3Very low100 Ų100112.2 Ų112.247%0.46765%0.65SS.*Hα-helixtrans-57.4-30.9179.3-57.1110.5-101.400113.6R100 E104R100-E102 VanDerWaalsContact C-N 3.26Å; R100-E102 WeakPolarHBondContact CB-OE1 3.5Å; R100-E102 WeakPolarHBondContact CD-OE2 3.27Å; R100-E102 IonicContact CZ-OE2 3.69Å; R100-E102 IonicContact NE-OE2 3.47Å; R100-E102 IonicContact NH1-OE2 2.67Å; R100-E102 PolarHBondContact NH1-OE2 3.01Å; R100-E102 PolarHBondContact O-N 3.42Å; E102-E104 VanDerWaalsContact C-N 3.28Å; E102-E104 PolarHBondContact O-N 2.74Å
103D43.5Very low44.1Very low89 Ų89116 Ų11648%0.47665%0.645SS.*Hα-helixtrans-68.8-22.9-180-75-56.1000113P101 Q107P101-D103 PolarHBondContact O-N 2.96Å; D103-Q107 VanDerWaalsContact O-CB 3.31Å; D103-Q107 WeakPolarHBondContact O-CB 3.36Å
104E50.3Low46.4Very low152 Ų152116.3 Ų116.371%0.7163%0.633SS**Hα-helixtrans-81.1-35.4-173.7-60.9-163.5145.100112.8P101 E102 Q107 L108P101-E104 PolarHBondContact O-N 3.11Å; P101-E104 VanDerWaalsContact O-N 3.11Å; E102-E104 VanDerWaalsContact C-N 3.28Å; E102-E104 PolarHBondContact O-N 2.74Å; E104-Q107 PolarHBondContact O-N 2.86Å; E104-L108 WeakPolarHBondContact O-CB 3.15Å; E104-L108 PolarHBondContact O-N 3.17Å
105E48.2Very low48.9Very low117 Ų117114.2 Ų114.255%0.54762%0.615SS.*Hα-helixtrans-74.6-46.8-171.6-168.6161-145.600112.3Q107 L108 L109 L555E105-Q107 PolarHBondContact O-N 2.8Å; E105-L108 WeakPolarHBondContact O-CB 3.48Å; E105-L108 PolarHBondContact O-N 3.16Å; E105-L108 VanDerWaalsContact O-N 3.15Å; E105-L109 WeakPolarHBondContact O-CD1 3.47Å; E105-L109 PolarHBondContact O-N 3.48Å; E105-L555 HydrophobicContact CG-CD2 4.08Å
106V53.3Low51.5Low114 Ų114114.1 Ų114.169%0.69160%0.6SS**Hα-helixtrans-61.5-35.6174-171.70000111
107Q52.3Low53.6Low128 Ų128112 Ų11260%0.59858%0.584SS**Hα-helixtrans-74.6-25.6179.5-159.3155.9121.800112.6D103 E104 E105 Q110 V111D103-Q107 VanDerWaalsContact O-CB 3.31Å; D103-Q107 WeakPolarHBondContact O-CB 3.36Å; E104-Q107 PolarHBondContact O-N 2.86Å; E105-Q107 PolarHBondContact O-N 2.8Å; Q107-Q110 PolarHBondContact O-N 2.92Å; Q107-V111 WeakPolarHBondContact O-CG2 3.48Å
108L54Low56.2Low54 Ų54113.8 Ų113.828%0.28357%0.572SS.*Hα-helixtrans-69-42.5173.8-175.356000111.9E104 E105 Q110 V111 C112 L555E104-L108 WeakPolarHBondContact O-CB 3.15Å; E104-L108 PolarHBondContact O-N 3.17Å; E105-L108 WeakPolarHBondContact O-CB 3.48Å; E105-L108 PolarHBondContact O-N 3.16Å; E105-L108 VanDerWaalsContact O-N 3.15Å; L108-Q110 PolarHBondContact O-N 2.96Å; L108-V111 PolarHBondContact O-N 3.21Å; L108-C112 PolarHBondContact O-N 2.89Å; L108-C112 PolarHBondContact O-SG 2.86Å; L108-C112 VanDerWaalsContact O-SG 3.37Å; L108-L555 HydrophobicContact CD2-CB 3.93Å; L108-L555 HydrophobicContact CD2-CD1 4.32Å; L108-L555 HydrophobicContact CD2-CG 4.5Å; L108-L555 HydrophobicContact CG-CB 4.5Å
109L55.5Low58.4Low101 Ų101111.7 Ų111.753%0.52956%0.555SS.*Hα-helixtrans-57.2-35.1173.3-84.994.8000112.3E105 V111 C112 L555E105-L109 WeakPolarHBondContact O-CD1 3.47Å; E105-L109 PolarHBondContact O-N 3.48Å; L109-V111 PolarHBondContact O-N 2.79Å; L109-C112 PolarHBondContact O-N 2.85Å; L109-L555 HydrophobicContact CD1-CD2 3.62Å
110Q55.2Low60.9Low145 Ų145109.7 Ų109.768%0.67855%0.547SS*.THydrogen-bonded Turntrans-72.6-10.2178.1-155172.938.700113.7Q107 L108Q107-Q110 PolarHBondContact O-N 2.92Å; L108-Q110 PolarHBondContact O-N 2.96Å
111V59.4Low62.6Low103 Ų103103.4 Ų103.462%0.62453%0.529SS*.THydrogen-bonded Turntrans-106.4-20.4177.6176.80000112.3Q107 L108 L109Q107-V111 WeakPolarHBondContact O-CG2 3.48Å; L108-V111 PolarHBondContact O-N 3.21Å; L109-V111 PolarHBondContact O-N 2.79Å
112C60.8Low63.7Low32 Ų32105 Ų10522%0.21654%0.539CS..  trans-58.6133.9173.9-71.90000111.9L108 L109 I134L108-C112 PolarHBondContact O-N 2.89Å; L108-C112 PolarHBondContact O-SG 2.86Å; L108-C112 VanDerWaalsContact O-SG 3.37Å; L109-C112 PolarHBondContact O-N 2.85Å; C112-I134 HydrophobicContact CB-CD1 4.08Å
113R68.6Low65Low204 Ų204108 Ų10877%0.7755%0.553SS**  trans-115.9-14-179.1-66.3-175.9178.1-171.5-3.7113.9P133 I134R113-P133 CarbonylContact O-C 3.57Å; R113-P133 VanDerWaalsContact O-CA 3.31Å; R113-P133 WeakPolarHBondContact O-CA 3.48Å; R113-I134 PolarHBondContact O-N 2.89Å
114E76.9Confident66.2Low136 Ų136106.5 Ų106.564%0.63656%0.558SS**EExtended strand (participates in β ladder)trans-144.6143.4-175.6-69.1169-171.700107.2P131 A132E114-P131 HydrophobicContact CB-CB 4.48Å; E114-A132 CarbonylContact C-O 3.51Å; E114-A132 VanDerWaalsContact CA-O 3.29Å; E114-A132 WeakPolarHBondContact CA-O 3.29Å
115V82.5Confident67.4Low74 Ų74105.6 Ų105.645%0.44855%0.554SS.*EExtended strand (participates in β ladder)trans-123.6145174.668.30000110.1P131 A132 I134V115-P131 WeakPolarHBondContact O-CA 3.36Å; V115-A132 HydrophobicContact CG1-CB 4.15Å; V115-A132 PolarHBondContact N-O 3.15Å; V115-A132 PolarHBondContact O-N 2.9Å; V115-I134 HydrophobicContact CB-CD1 4.26Å; V115-I134 HydrophobicContact CB-CG1 4.38Å; V115-I134 HydrophobicContact CG1-CG1 4.46Å
116V82.1Confident69Low68 Ų68103.7 Ų103.741%0.41255%0.553SS.*  trans-127.2134.6174.5171.80000107.4D128 P131V116-D128 HydrophobicContact CG1-CB 4.03Å; V116-P131 HydrophobicContact CG2-CB 3.89Å; V116-P131 HydrophobicContact CG2-CG 3.73Å
117V82.7Confident70.2Confident85 Ų85100.8 Ų100.852%0.51554%0.541SS..  trans-104.6126.5175-179.70000108.3S129V117-S129 PolarHBondContact N-OG 2.94Å; V117-S129 WeakPolarHBondContact O-CB 3.44Å; V117-S129 PolarHBondContact O-N 3.03Å
118R82.9Confident71.8Confident130 Ų13098.9 Ų98.949%0.49154%0.535SS..EExtended strand (participates in β ladder)trans-90.2128.6166-89.3-177.7172.5131.414.1110.1A127 D128 E556R118-A127 WeakPolarHBondContact CA-O 3.23Å; R118-D128 WeakPolarHBondContact CG-OD1 3.46Å; R118-D128 IonicContact CZ-OD1 3.28Å; R118-D128 IonicContact CZ-OD2 2.68Å; R118-D128 IonicContact NE-OD1 2.72Å; R118-D128 PolarHBondContact NE-OD1 2.88Å; R118-D128 IonicContact NE-OD2 2.69Å; R118-D128 PolarHBondContact NE-OD2 2.86Å; R118-D128 IonicContact NH2-OD1 3.84Å; R118-D128 PolarHBondContact NH2-OD1 2.75Å; R118-D128 IonicContact NH2-OD2 3.39Å; R118-D128 PolarHBondContact NH2-OD2 2.32Å; R118-E556 IonicContact CZ-OE1 3.74Å; R118-E556 IonicContact NH1-OE1 3.78Å; R118-E556 PolarHBondContact NH1-OE1 3.46Å
119T78Confident73.2Confident89 Ų8998.5 Ų98.555%0.54654%0.537SS..EExtended strand (participates in β ladder)trans-104.5135.5165.653.40000109.6S126 A127T119-S126 WeakPolarHBondContact O-CA 3.34Å; T119-A127 PolarHBondContact N-O 3.49Å; T119-A127 PolarHBondContact O-N 3.05Å
120M82.6Confident74.5Confident118 Ų118101 Ų10158%0.58155%0.549SS*.EExtended strand (participates in β ladder)trans-105.4126.4174.2-67.1-54.9-52.100109.9G124 E125 S126M120-G124 WeakPolarHBondContact CE-O 3.39Å; M120-E125 WeakPolarHBondContact CA-O 3.24Å; M120-S126 WeakPolarHBondContact SD-CB 3.22Å
121S67.9Low75.9Confident35 Ų3597.4 Ų97.425%0.24554%0.539CS..  trans-69145.2164.21760000109.5H123 G124 E125S121-H123 PolarHBondContact O-N 2.78Å; S121-H123 PolarHBondContact OG-N 2.86Å; S121-H123 PolarHBondContact OG-ND1 2.81Å; S121-G124 PolarHBondContact O-N 3.24Å; S121-E125 PolarHBondContact N-O 2.79Å; S121-E125 PolarHBondContact OG-OE2 2.98Å
122P60.9Low76.8Confident132 Ų13294.8 Ų94.886%0.85753%0.527SS*.THydrogen-bonded Turntrans-54.6-17.8169.6-26.835.6000114.2G124P122-G124 VanDerWaalsContact C-N 3.33Å
123H66.6Low77.5Confident163 Ų16398.2 Ų98.276%0.75555%0.549SS*.THydrogen-bonded Turntrans-87.43.2177.1-53.492.6000113.8S121S121-H123 PolarHBondContact O-N 2.78Å; S121-H123 PolarHBondContact OG-N 2.86Å; S121-H123 PolarHBondContact OG-ND1 2.81Å
124G69.2Low77.7Confident56 Ų5692.2 Ų92.258%0.57753%0.532SS*.SBendtrans86.98.1178.500000115.3M120 S121 P122M120-G124 WeakPolarHBondContact CE-O 3.39Å; S121-G124 PolarHBondContact O-N 3.24Å; P122-G124 VanDerWaalsContact C-N 3.33Å
125E76Confident76.7Confident134 Ų13491.3 Ų91.363%0.62654%0.535SS*.  trans-82.8131.9176.7-54.4172.2120.600110.7M120 S121M120-E125 WeakPolarHBondContact CA-O 3.24Å; S121-E125 PolarHBondContact N-O 2.79Å; S121-E125 PolarHBondContact OG-OE2 2.98Å
126S80.9Confident75.4Confident76 Ų7694 Ų9453%0.53156%0.555SS.*EExtended strand (participates in β ladder)trans-107.6131-179.762.50000111.8T119 M120T119-S126 WeakPolarHBondContact O-CA 3.34Å; M120-S126 WeakPolarHBondContact SD-CB 3.22Å
127A79.3Confident73.9Confident54 Ų5494.7 Ų94.745%0.44657%0.568SS.*EExtended strand (participates in β ladder)trans-123.1128.817100000111.6R118 T119R118-A127 WeakPolarHBondContact CA-O 3.23Å; T119-A127 PolarHBondContact N-O 3.49Å; T119-A127 PolarHBondContact O-N 3.05Å
128D86.5Confident71.9Confident87 Ų8799.1 Ų99.147%0.46559%0.587SS.*EExtended strand (participates in β ladder)trans-89.8132.2176.6-65.626.1000109.7V116 R118V116-D128 HydrophobicContact CG1-CB 4.03Å; R118-D128 WeakPolarHBondContact CG-OD1 3.46Å; R118-D128 IonicContact CZ-OD1 3.28Å; R118-D128 IonicContact CZ-OD2 2.68Å; R118-D128 IonicContact NE-OD1 2.72Å; R118-D128 PolarHBondContact NE-OD1 2.88Å; R118-D128 IonicContact NE-OD2 2.69Å; R118-D128 PolarHBondContact NE-OD2 2.86Å; R118-D128 IonicContact NH2-OD1 3.84Å; R118-D128 PolarHBondContact NH2-OD1 2.75Å; R118-D128 IonicContact NH2-OD2 3.39Å; R118-D128 PolarHBondContact NH2-OD2 2.32Å
129S82.3Confident69.7Low47 Ų4796.9 Ų96.933%0.32960%0.596SS.*PPolyproline II helixtrans-66.6158.1171.781.90000111.7V117V117-S129 PolarHBondContact N-OG 2.94Å; V117-S129 WeakPolarHBondContact O-CB 3.44Å; V117-S129 PolarHBondContact O-N 3.03Å
130I82.8Confident68Low153 Ų15398.8 Ų98.879%0.78561%0.61SS**PPolyproline II helixtrans-59.3135.3165.2-57.6176.6000108.2A132I130-A132 PolarHBondContact O-N 2.96Å
131P83.9Confident65.8Low70 Ų7098.3 Ų98.346%0.45563%0.625SS.*PPolyproline II helixtrans-58.6124.2177.6-2432.2000112.3E114 V115 V116E114-P131 HydrophobicContact CB-CB 4.48Å; V115-P131 WeakPolarHBondContact O-CA 3.36Å; V116-P131 HydrophobicContact CG2-CB 3.89Å; V116-P131 HydrophobicContact CG2-CG 3.73Å
132A78.6Confident64.3Low47 Ų47101.3 Ų101.339%0.38865%0.646SS.*EExtended strand (participates in β ladder)trans-103.2126.3179.400000110.4E114 V115 I130E114-A132 CarbonylContact C-O 3.51Å; E114-A132 VanDerWaalsContact CA-O 3.29Å; E114-A132 WeakPolarHBondContact CA-O 3.29Å; V115-A132 HydrophobicContact CG1-CB 4.15Å; V115-A132 PolarHBondContact N-O 3.15Å; V115-A132 PolarHBondContact O-N 2.9Å; I130-A132 PolarHBondContact O-N 2.96Å
133P75.6Confident63.1Low104 Ų104102.9 Ų102.968%0.67565%0.647SS**EExtended strand (participates in β ladder)trans-74131.3-176.728.9-34.3000112.4R113R113-P133 CarbonylContact O-C 3.57Å; R113-P133 VanDerWaalsContact O-CA 3.31Å; R113-P133 WeakPolarHBondContact O-CA 3.48Å
134I72.9Confident61.7Low79 Ų79100.8 Ų100.841%0.40565%0.647SS.*  trans-85.7110.5172.8-50.5175.7000108.1C112 R113 V115 P136C112-I134 HydrophobicContact CB-CD1 4.08Å; R113-I134 PolarHBondContact O-N 2.89Å; V115-I134 HydrophobicContact CB-CD1 4.26Å; V115-I134 HydrophobicContact CB-CG1 4.38Å; V115-I134 HydrophobicContact CG1-CG1 4.46Å; I134-P136 WeakPolarHBondContact O-CD 3.48Å
135T55.8Low59.8Low116 Ų116102.5 Ų102.571%0.71266%0.656SS**  trans-78.3121.3173.749.50000110.7A137T135-A137 VanDerWaalsContact C-N 3.33Å; T135-A137 PolarHBondContact O-N 2.66Å
136P55.4Low57.7Low132 Ų132107.7 Ų107.786%0.85767%0.67SS**  trans-76.381.9-179.331.4-35.5000111.3I134I134-P136 WeakPolarHBondContact O-CD 3.48Å
137A51.6Low55.3Low82 Ų82110.1 Ų110.168%0.67868%0.682SS**  trans-85.7130.9167.900000110T135T135-A137 VanDerWaalsContact C-N 3.33Å; T135-A137 PolarHBondContact O-N 2.66Å
138L39.8Very low52.7Low178 Ų178112.9 Ų112.993%0.93270%0.697SS**  trans73.984.5173.5-49.7179.5000117.6
139A36.3Very low50Low82 Ų82114 Ų11468%0.67871%0.711SS**  trans-146.5141.2145.100000106.8
140P42.3Very low47.6Very low129 Ų129117.6 Ų117.684%0.83873%0.733SS**  cis-130138.34337.3-21.9000115.7
141A38Very low45Very low108 Ų108115.9 Ų115.989%0.89374%0.735SS**  trans-143.131.4170.400000112.8
142S35Very low42.8Very low98 Ų98117.9 Ų117.969%0.68575%0.747SS**  trans-147.589.2-175.8560000112.4
143L35.6Very low40.5Very low166 Ų166124.9 Ų124.987%0.86977%0.772SS**  trans-130.1126.5162.1-76.3177.4000108.8A145L143-A145 PolarHBondContact O-N 3.45Å
144P37.1Very low38.7Very low118 Ų118125.4 Ų125.477%0.76678%0.775SS**  trans-72.4112.8-177.727.9-33.6000111R146P144-R146 PolarHBondContact O-N 2.82Å
145A29.1Very low36.6Very low93 Ų93126.8 Ų126.877%0.76979%0.792SS**  trans-69.493.2178.200000111.4L143 V147L143-A145 PolarHBondContact O-N 3.45Å; A145-V147 VanDerWaalsContact C-N 3.35Å; A145-V147 PolarHBondContact O-N 3.25Å
146R32.7Very low35.9Very low242 Ų242127.2 Ų127.291%0.91380%0.797SS**  trans-71.786.1172-77.3-170.6168.1-143.2-3.4111.3P144 S148P144-R146 PolarHBondContact O-N 2.82Å; R146-S148 PolarHBondContact O-N 3.01Å
147V30Very low34.9Very low128 Ų128129.8 Ų129.878%0.77680%0.797SS**  trans-67.9122.4167.6-174.50000108.9A145A145-V147 VanDerWaalsContact C-N 3.35Å; A145-V147 PolarHBondContact O-N 3.25Å
148S26.1Very low33.9Very low111 Ų111129.9 Ų129.978%0.77680%0.798SS**  trans-119.7110.7177-170.30000109.6R146R146-S148 PolarHBondContact O-N 3.01Å
149C28.5Very low33.5Very low111 Ų111133.3 Ų133.375%0.7580%0.798SS**PPolyproline II helixtrans-78.1132.2-176.1-54.90000111.8
150P31.9Very low33.2Very low122 Ų122133.8 Ų133.879%0.79280%0.802SS**PPolyproline II helixtrans-96.1118.2166.633.5-27.9000111.4
151S28Very low33.4Very low117 Ų117133.1 Ų133.182%0.81880%0.798SS**PPolyproline II helixtrans-81.7141.5165.5-55.20000110.7
152P38.9Very low33Very low112 Ų112136.5 Ų136.573%0.72780%0.8SS**PPolyproline II helixtrans-88.7138.7-173.834-34.4000113
153H29.4Very low32.8Very low195 Ų195136.3 Ų136.390%0.90380%0.804SS**  trans-158.7167.4160.6-95.8-39.1000111.8
154P38.3Very low32.5Very low114 Ų114134.2 Ų134.274%0.7480%0.803SS**  trans-97.5176.1-137.137.9-39.4000117.5
155S28.3Very low32.1Very low108 Ų108133 Ų13376%0.75580%0.803SS**  trans-73166.7176540000114.5
156P42Very low32.3Very low125 Ų125133.9 Ų133.981%0.81280%0.804SS**  -136-172.9115.738.7-28.3000114.7
157E33.6Very low33.3Very low187 Ų187128.9 Ų128.987%0.87480%0.803SS**  trans-91.9162.4-148.7-59.4166.964.600119.6
158A31.1Very low33.3Very low83 Ų83126.3 Ų126.369%0.68680%0.802SS**  trans65.3116136.900000122.6
159R31Very low34.2Very low251 Ų251127.4 Ų127.495%0.94781%0.806SS**  -178.5152.796.2-97.1179.9179.2-170.30.1113.3
160A31.2Very low34.2Very low91 Ų91125.4 Ų125.475%0.75281%0.805SS**  trans-116159.8160.400000109.6
161P45.3Very low34.1Very low115 Ų115127 Ų12775%0.74781%0.807SS**  -154144.7115.435.5-16.7000118.2
162L29.7Very low34.9Very low179 Ų179126.9 Ų126.994%0.93780%0.803SS**  trans69.7171.1143.7-62171.5000120.3
163A30.3Very low34.5Very low94 Ų94126.9 Ų126.978%0.77781%0.806SS**  trans-155.2-159.3-149.100000114.6
164S30.9Very low34.6Very low122 Ų122123.1 Ų123.185%0.85380%0.801SS**  trans88.8154.6-178.583.50000115.5
165A28.4Very low35.1Very low92 Ų92123 Ų12376%0.7680%0.801SS**  cis-149.9164.211.400000114.5
166S32.7Very low35.2Very low113 Ų113124.9 Ų124.979%0.7980%0.801SS**  trans-104164.2156.6-47.40000109.1
167P53.4Low34.5Very low137 Ų137126 Ų12689%0.8980%0.796SS**  -156.2171.187.440.2-20.9000117.1
168G30.1Very low34.4Very low73 Ų73124.9 Ų124.975%0.75379%0.79SS**  trans174.1128.6168.900000113.4
169P45.9Very low35Very low134 Ų134126.9 Ų126.987%0.8780%0.796SS**  trans-130.5155.7-162.141.6-27.5000119
170G28.5Very low35Very low70 Ų70119.3 Ų119.372%0.72279%0.787SS**  97.9109.9119.400000122.5
171D28.8Very low36.2Very low156 Ų156120.5 Ų120.583%0.83479%0.787SS**  trans65167.3140.3-86.8-35.1000121.2
172P46.1Very low35.6Very low114 Ų114123.3 Ų123.374%0.7480%0.795SS**  cis-132.6155.77.340.2-23.3000119.3
173S29.9Very low35.7Very low111 Ų111117.8 Ų117.878%0.77678%0.782SS**  trans38.9140.5134.4-55.20000126
174S32.1Very low35.6Very low116 Ų116119.8 Ų119.881%0.81178%0.784SS**  trans-74.4175.8171.8-28.60000114.9
175P47.2Very low35.5Very low112 Ų112121.6 Ų121.673%0.72778%0.779SS**  -159.9156.869.941.1-18.3000121.9
176L30.1Very low35.6Very low147 Ų147125.2 Ų125.277%0.7778%0.78SS**  trans59.3122.5137.2-61.8169.4000126.7
177Q28.8Very low37.1Very low149 Ų149124.5 Ų124.570%0.69677%0.773SS**  84.5120.7128.1-73.9-172.911.100126.9
178H31.6Very low37.2Very low164 Ų164124 Ų12476%0.75977%0.77SS**  trans63.3163138.3-67.2-54.2000122.1
179P43.5Very low37.2Very low125 Ų125124.3 Ų124.381%0.81277%0.773SS**  cis-125.6-154.9-2.843-26.2000114.4
180A30.8Very low36.3Very low92 Ų92122.8 Ų122.876%0.7677%0.771SS**  trans-153.5-177.4173.700000109.9
181P57.3Low37.8Very low115 Ų115125 Ų12575%0.74777%0.773SS**  cis-132.7-148.6-14.737.5-14.8000113.3
182L31.8Very low39.1Very low174 Ų174123 Ų12391%0.91177%0.769SS**  trans84.8154.1170.3-52.6172.9000118.1
183G31.7Very low38.6Very low64 Ų64121.9 Ų121.966%0.6677%0.769SS**  cis150.9143.4-11.600000115.6
184T28.3Very low38.9Very low135 Ų135121.7 Ų121.783%0.82877%0.768SS**  trans-169.6148.8173.4230000111.7
185Q27.9Very low40.4Very low160 Ų160122 Ų12275%0.74877%0.767SS**  cis-163.4144.2-16.9-142.9-167106.100113.9
186E31Very low39.6Very low168 Ų168121.8 Ų121.879%0.78577%0.768SS**  trans55159.5148.2-76.9-114.490.700127
187P63.8Low39.9Very low98 Ų98124.4 Ų124.464%0.63677%0.768SS**  trans-119.2-135.2-169.444.7-27.8000112.2
188P56.3Low40.2Very low128 Ų128123.1 Ų123.183%0.83176%0.762SS**  cis-134.5-178.9-2034.9-13.6000117.2
189G29.7Very low40Very low78 Ų78123.8 Ų123.880%0.80477%0.767SS**  trans178.5145.6164.700000113.6
190A27Very low39.3Very low102 Ų102122.4 Ų122.484%0.84377%0.766SS**  trans-145-167.1-165.100000114.9
191P60.9Low39.1Very low116 Ų116128.1 Ų128.175%0.75377%0.774SS**  trans-113-165.3-135.542.8-25.9000114.6
192P54.8Low37.6Very low116 Ų116125.6 Ų125.675%0.75377%0.769SS**  -158.9170.488.742.9-23.5000119.2
193A35.8Very low37.5Very low90 Ų90122.9 Ų122.974%0.74477%0.765SS**  trans65.1150.2141.800000121.3
194S37Very low37.2Very low106 Ų106127 Ų12774%0.74177%0.766SS**  cis-170165.6-10.7-102.10000110.1
195P62.5Low37.1Very low122 Ų122128.8 Ų128.879%0.79277%0.765SS**  cis-113-119.615.837.1-18.8000114.1
196S30.3Very low36.9Very low108 Ų108128.1 Ų128.176%0.75577%0.767SS**  cis-147.4-163.120.6-1610000113.2
197R37.7Very low38.3Very low202 Ų202125 Ų12576%0.76276%0.761SS**  trans-147.5154.7-169-95.2-173.8122.2-163.2-9.7111.9
198E34Very low37.1Very low123 Ų123126.1 Ų126.158%0.57577%0.769SS**  cis-165.3164.1-9.3-161.3164.660.300112.5
199M27.9Very low35.8Very low177 Ų177123.9 Ų123.987%0.87276%0.761SS**  trans82.5131.2146.5-108170.9-172.700123.9
200A29.5Very low36.3Very low96 Ų96125.7 Ų125.779%0.79376%0.759SS**  trans-86.1171.8-170.700000117.5
201K26.6Very low36.4Very low212 Ų212125.9 Ų125.992%0.92275%0.753SS**  153.3132.6114.4-174177.8-178.1-173.90115.8
202G25.2Very low35.1Very low63 Ų63126 Ų12665%0.64976%0.756SS**  trans94.6141.816700000115.4
203S29.2Very low34.1Very low116 Ų116128.6 Ų128.681%0.81176%0.758SS**  cis77.4135.131.279.10000114.3
204H26.7Very low33.9Very low150 Ų150131.8 Ų131.869%0.69476%0.758SS**  cis-165.8162.921.2-158.9-128.4000112.3
205E25.7Very low33.8Very low173 Ų173135.9 Ų135.981%0.80877%0.765SS**  trans62.4-176.2148.7-102.7166.4-0.800124.9
206D24.1Very low32.1Very low146 Ų146134.7 Ų134.778%0.78177%0.766SS**  trans-121.9-132.4-157.1-170.28.2000112.6
207P58.6Low32.2Very low102 Ų102132.5 Ų132.566%0.66276%0.76SS**  trans-108-169.7-141.440.3-22000114.2
208P39.3Very low31.8Very low122 Ų122127.6 Ų127.679%0.79276%0.763SS**  cis-142.4-159.511.142.5-19.3000116.8
209A28.6Very low32Very low82 Ų82126.5 Ų126.568%0.67878%0.775SS**  trans-70.9177.8165.500000112.5
210P40.3Very low32.4Very low115 Ų115123 Ų12375%0.74776%0.763SS**  cis-158176.947.244.3-21.1000121.1
211C29.2Very low32.9Very low107 Ų107125.8 Ų125.872%0.72376%0.764SS**  trans38.6133.8145.4-58.90000126.6
212S34.5Very low33Very low118 Ų118118.9 Ų118.983%0.82575%0.752SS**  trans173.4118.7139.4-740000110
213Q33.6Very low33.3Very low170 Ų170122.3 Ų122.379%0.79476%0.761SS**  100.5125.366.1-164.5-172.2-39.100115
214E32.2Very low33.6Very low158 Ų158122.2 Ų122.274%0.73876%0.76SS**  trans97.9146.7154.9-137.8139.6118.100123.8
215E33.6Very low33.8Very low191 Ų191124 Ų12489%0.89377%0.769SS**  trans64.5161.4169.4-133.5170.9112.200121
216A28.4Very low34.1Very low98 Ų98123 Ų12381%0.8177%0.765SS**  trans-125.2147.3-164.200000113.1
217G32.2Very low34.6Very low61 Ų61126 Ų12663%0.62977%0.765SS**  trans-164.8154.517500000113.1V220G217-V220 WeakPolarHBondContact O-CG2 3.25Å
218A28Very low33.1Very low99 Ų99127 Ų12782%0.81877%0.769SS**SBendtrans-97.216516800000110.4
219A37.9Very low32.8Very low100 Ų100124.9 Ų124.983%0.82676%0.762SS**SBendtrans65.359.6-168.600000113.2
220V38.2Very low33.3Very low103 Ų103126.3 Ų126.362%0.62477%0.767SS**  trans-135135.5-167.7163.90000107.6G217G217-V220 WeakPolarHBondContact O-CG2 3.25Å
221L39.8Very low32.5Very low156 Ų156127.3 Ų127.382%0.81777%0.771SS**  cis90.8115.427.3-60.3169.5000114.3
222G28.7Very low32.4Very low66 Ų66127 Ų12768%0.6877%0.77SS**  trans81.5143.5-173.800000112.9
223T31.5Very low32.1Very low136 Ų136127.5 Ų127.583%0.83477%0.769SS**  cis82.6109.810.179.60000119.2
224S34.3Very low31.9Very low113 Ų113128.1 Ų128.179%0.7978%0.776SS**  trans60.8124.9155.362.40000121.6
225E31.4Very low31.6Very low187 Ų187123.7 Ų123.787%0.87477%0.773SS**  -161-178.6121-116-176150.700112.3
226E30.9Very low31.2Very low154 Ų154123.6 Ų123.672%0.7277%0.773SS**  trans-129.8150.5-159.8-167.9-160.764.700113.5
227R35.8Very low31.1Very low209 Ų209127.3 Ų127.379%0.78977%0.77SS**  trans64.6173.7158.1-97.8179.1165172.6-9.7115.9
228T27.7Very low31.3Very low121 Ų121131.4 Ų131.474%0.74278%0.778SS**  cis-142.6164.2-2.2-17.80000110.2
229A32.6Very low32.5Very low79 Ų79132.3 Ų132.365%0.65378%0.775SS**  trans-92.9162.9151.700000109.1
230S39.3Very low31.7Very low111 Ų111130.7 Ų130.778%0.77677%0.768SS**  cis-158.6153.510.8-420000110.8
231T23.8Very low33.1Very low136 Ų136132 Ų13283%0.83478%0.779SS**  trans-147.3135.8148.650.70000106.8
232S27.3Very low32.7Very low101 Ų101129 Ų12971%0.70678%0.777SS**  cis70.7117.933.1-150.40000112.6
233T28.2Very low32.9Very low129 Ų129130.5 Ų130.579%0.79178%0.783SS**  cis-164.8176.412.90000108.2
234L27.5Very low34.1Very low182 Ų182129.3 Ų129.395%0.95378%0.777SS**  trans74.5124.4165.9-157.176000115.3
235G26.8Very low34Very low65 Ų65129.5 Ų129.567%0.6778%0.779SS**  cis173.2177.4-5.600000112.3
236E24.7Very low34.1Very low190 Ų190129 Ų12989%0.88878%0.781SS**  trans76.488.2163.1-154.1159.7124.700120.7
237K27.1Very low34.3Very low175 Ų175126.3 Ų126.376%0.76179%0.786SS**  60.6104.7116.8-169.9-174.6174.7-174.60122.4
238D36.1Very low34.1Very low148 Ų148125.5 Ų125.579%0.79179%0.788SS**  trans56.7179.2143.7-71.5-64.3000119.4
239P52.4Low34Very low117 Ų117126.2 Ų126.276%0.7678%0.783SS**  cis-123.4-166.6-1727.9-5000113.2
240G22.5Very low33.8Very low66 Ų66130.2 Ų130.268%0.6879%0.788SS**  trans-93-153.4158.700000112.7
241P66Low33.4Very low131 Ų131129 Ų12985%0.85179%0.785SS**  cis-140.4179.9-15.142.3-24.5000116.4
242A31.6Very low33.9Very low93 Ų93129.9 Ų129.977%0.76978%0.779SS**  trans81.7119.3146.700000126.1
243A32.8Very low33.8Very low97 Ų97135.6 Ų135.680%0.80279%0.785SS**  trans64.3-177.1140.700000120.3
244P56.9Low33.8Very low112 Ų112135.3 Ų135.373%0.72778%0.783SS**  cis-143.2171.3-8.943.8-25.7000119.2
245S32.4Very low33.8Very low117 Ų117131.5 Ų131.582%0.81878%0.778SS**  trans69.8128.9135.7-72.10000129
246L33.9Very low33.9Very low175 Ų175132 Ų13292%0.91678%0.784SS**  82.2118.9128.3-161.387.4000124.6
247A33.9Very low34.1Very low99 Ų99132.1 Ų132.182%0.81878%0.784SS**  trans-175.6170.213800000114.6
248K31.6Very low34.3Very low191 Ų191127.9 Ų127.983%0.8378%0.782SS**  trans-85178.1176.5-52.4178.4178.11790112
249Q26.7Very low33.9Very low137 Ų137126.7 Ų126.764%0.6478%0.784SS**  cis-164.7158.720.4-149.2174.7-45.200112
250E27.3Very low33.4Very low163 Ų163127.6 Ų127.676%0.76279%0.79SS**  trans12.4146.3161.862.4-148.339.800123.9
251A32.6Very low33.6Very low86 Ų86128.8 Ų128.871%0.71179%0.793SS**  cis-164.1162.4-4.700000113.2
252E33.6Very low31.6Very low154 Ų154127.8 Ų127.872%0.7279%0.789SS**  trans47.4142.6160.3-84.9171.186.600121.2
253W25.1Very low31.2Very low221 Ų221128.5 Ų128.584%0.83779%0.789SS**  cis-113-140.215.9-82.3-59.3000115.1
254T28.6Very low30.9Very low122 Ų122129 Ų12975%0.74879%0.786SS**  trans-171161.2-143.542.80000108.5
255A27.6Very low29.5Very low102 Ų102128.7 Ų128.784%0.84378%0.782SS**  cis-173.7170.6-14.800000106
256G28.3Very low29.2Very low76 Ų76132.4 Ų132.478%0.78479%0.787SS**  cis178.2159.2-0.200000109.3
257E28.7Very low28.9Very low192 Ų192127.2 Ų127.290%0.89778%0.776SS**  trans-132.8154.7-163.7-156.9-171128.900113.1
258A30.8Very low28.5Very low87 Ų87127.4 Ų127.472%0.71978%0.778SS**  trans61132.7160.800000120.7
259C27.6Very low28.3Very low123 Ų123130 Ų13083%0.83178%0.782SS**  trans-90.6156.2154.7-57.90000108.5
260P42.6Very low28.3Very low135 Ų135126.5 Ų126.588%0.87778%0.777SS**  -144.7-169.977.435.6-15000114.5
261A26Very low28.4Very low91 Ų91126.8 Ų126.875%0.75278%0.778SS**  trans-104.7165-165.300000115.4
262S24.5Very low28.1Very low111 Ų111131.5 Ų131.578%0.77679%0.785SS**  -179145.9123.6-81.20000116.1
263S24.4Very low27.9Very low108 Ų108128.2 Ų128.276%0.75579%0.785SS**  trans56.7118.3147.562.70000124
264S26.6Very low29.2Very low107 Ų107122.9 Ų122.975%0.74878%0.778SS**  67.8147127.1-1470000119.8
265T26.8Very low29.1Very low105 Ų105124.1 Ų124.164%0.64478%0.781SS**  cis-162.6148.330-420000113
266Q26.6Very low29.1Very low195 Ų195125.7 Ų125.791%0.91178%0.78SS**  trans59146.4162.4-83.5167-100.400120.4
267G26.3Very low29.3Very low67 Ų67130.1 Ų130.169%0.69178%0.78SS**  cis170.3176.5-6.100000114.9
268A26.5Very low29.1Very low103 Ų103128.8 Ų128.885%0.85178%0.776SS**  trans73144.4-176.600000115.9
269R26.3Very low29Very low244 Ų244129.4 Ų129.492%0.92177%0.774SS**  cis-154.41630.9-134.3-178175.2-172.9-2.1106.9
270A27.6Very low29.1Very low65 Ų65133 Ų13354%0.53778%0.778SS.*  cis-163.9165.616.800000113.2
271Q28.8Very low28.3Very low168 Ų168130.5 Ų130.579%0.78578%0.777SS**  trans61.6107.9154.5-68.1163.685.300118.3
272Q26.2Very low28.3Very low185 Ų185130 Ų13086%0.86478%0.781SS**  77141.373-77.4-176.9-4400114.6
273A31Very low28.6Very low85 Ų85132 Ų13270%0.70278%0.783SS**  cis179.2-175.4-14.700000108
274P51.1Low29.6Very low109 Ų109132 Ų13271%0.70878%0.78SS**  cis-133.2162.8-26.828-6.2000116.7
275N26.4Very low29.6Very low149 Ų149129.9 Ų129.980%0.79778%0.775SS**  trans34.2133.2140.6-51.8-10.3000125
276T28.7Very low29.5Very low134 Ų134131 Ų13182%0.82279%0.788SS**  149.4158.5129.942.10000111.2
277E31.1Very low29.4Very low169 Ų169125.2 Ų125.279%0.7978%0.78SS**  cis-164.2157.4-39.5-159-177.7124.100109.4
278M25.5Very low29.7Very low165 Ų165130.3 Ų130.381%0.81379%0.79SS**  trans67.1-178.9158-146.548.9172.900119.1
279C29.1Very low29.7Very low99 Ų99137.2 Ų137.267%0.66979%0.794SS**  trans-121.2170-151.6-51.40000115.5
280Q28.6Very low30.5Very low198 Ų198131.1 Ų131.193%0.92579%0.786SS**  trans72.3131.3154.9-68.4178.6-4.600120.5
281G27.3Very low30.6Very low83 Ų83138.9 Ų138.986%0.85680%0.802SS**  trans111.8132.5137.300000117.8
282G26.2Very low30.6Very low80 Ų80135.2 Ų135.283%0.82580%0.8SS**  trans104.9109.715100000118.2
283D29.3Very low30.8Very low154 Ų154133 Ų13382%0.82479%0.79SS**  trans-56.2161.2144.6-151.844.9000109.5
284P45.3Very low30.9Very low108 Ų108136.1 Ų136.170%0.70179%0.787SS**  cis-147.8170.728.744.8-24.9000119.8
285G26.9Very low30Very low62 Ų62139.2 Ų139.264%0.63979%0.793SS**  74.6126.2116.800000121.8
286S25.6Very low30.2Very low130 Ų130139 Ų13991%0.90979%0.792SS**  trans53.596144.3-64.10000120.9
287G24.6Very low30.2Very low72 Ų72138.6 Ų138.674%0.74279%0.789SS**  99.1159.199.200000120.5
288L32Very low30.2Very low175 Ų175134.6 Ų134.692%0.91678%0.784SS**  trans66.5120166.9-50.7-178.6000118.3
289R25.3Very low30.3Very low247 Ų247134.8 Ų134.893%0.93278%0.783SS**  trans-122.4140.1161.2-71.3-74.1-104.4-155.4-6.5108.8
290P43.8Very low30.3Very low116 Ų116137.4 Ų137.475%0.75379%0.79SS**  trans-122.1154.6-157.741.9-30.2000116.9
291R29.7Very low30.1Very low229 Ų229131.2 Ų131.286%0.86478%0.779SS**  46.7123.3129.5-165.9-174-169.1-1553121.2
292A29.9Very low30.1Very low91 Ų91133 Ų13375%0.75277%0.773SS**  trans-153.9146.8141.500000108
293E29.5Very low30.1Very low139 Ų139137.4 Ų137.465%0.6577%0.772SS**  cis-160.2156.7-18.5-100.9-156126.400108.1
294K33.6Very low29.9Very low149 Ų149137.4 Ų137.465%0.64877%0.771SS**  trans47.4120.3159.7-61.5147.1-1711540119.1
295E32.3Very low29Very low175 Ų175138.3 Ų138.382%0.81877%0.774SS**  cis77103.346.1-167.2176.218000114.9
296D29.4Very low29.3Very low145 Ų145142.5 Ų142.578%0.77578%0.782SS**  -160.8165.8129.9-137.7-45.2000112.5
297T30.2Very low29.4Very low125 Ų125141.5 Ų141.577%0.76778%0.775SS**  trans-44.5165.3-17944.50000120.1
298A29.4Very low29.7Very low84 Ų84145.1 Ų145.169%0.69478%0.777SS**  cis-166.7164.6-11.900000114
299E28.9Very low29.7Very low169 Ų169142.4 Ų142.479%0.7977%0.767SS**  trans47126.5148.9-71.3-165.6121.600125.4
300L29.6Very low30.4Very low155 Ų155137.6 Ų137.681%0.81276%0.76SS**  trans59.6114.1132.6-59172.3000122.4
301G24.5Very low30Very low67 Ų67141.1 Ų141.169%0.69177%0.766SS**  116.298.6105.600000121.8
302V27Very low30.1Very low121 Ų121132.9 Ų132.973%0.73375%0.752SS**  trans62.5135.6139.2-131.70000122.6
303H24.9Very low30.8Very low172 Ų172140.2 Ų140.280%0.79676%0.76SS**  trans66148.2167.7-52.6-67.7000115.6
304L25.6Very low30.8Very low154 Ų154140.7 Ų140.781%0.80677%0.767SS**  cis-178.6145.745.6-174.257.7000111.8
305V26.9Very low31.4Very low127 Ų127138.5 Ų138.577%0.7777%0.77SS**  trans72.7140.9152.8158.20000122
306N32.5Very low32Very low150 Ų150137.5 Ų137.580%0.80277%0.771SS**  trans-93.6-171.3172.5-68.4-29.7000111.9
307S27.8Very low32.6Very low109 Ų109137.9 Ų137.976%0.76277%0.772SS**  trans79.2165.5158.3-129.50000114.6
308L31.4Very low33Very low149 Ų149136.8 Ų136.878%0.7877%0.769SS**  cis-155179.99.6-175.850.4000110.4
309V31.3Very low33.5Very low118 Ų118138.6 Ų138.672%0.71577%0.767SS**  trans107.389.2154-170.80000116.2
310D40.6Very low34Very low145 Ų145136.8 Ų136.878%0.77576%0.762SS**  trans-58.4152.9147.5-96.8-75000112.9
311H35.3Very low34.1Very low191 Ų191136.2 Ų136.288%0.88476%0.755SS**  trans167.9133.2140.7-79-19.1000107.5
312G32.3Very low34.9Very low55 Ų55139.7 Ų139.757%0.56775%0.753SS**  cis139.7158.25.900000109.8
313R43.5Very low35.5Very low246 Ų246142 Ų14293%0.92876%0.756SS**  trans86143.8-169.8-51.9147.8-168.6-102-0.9112.9
314N30.1Very low36.4Very low149 Ų149142.2 Ų142.280%0.79776%0.757SS**  cis-158.7171-11.751-56.6000110.2
315S45.4Very low37Very low102 Ų102143.4 Ų143.471%0.71376%0.759SS**  trans-134.7145.1179.4-51.80000111.1
316D45.1Very low37.5Very low154 Ų154145.6 Ų145.682%0.82476%0.761SS**  trans-159.2131.5149.3-83.2-41.4000103.6
317L42Very low37.7Very low153 Ų153146.7 Ų146.780%0.80176%0.761SS**  cis79.3147.432-58.5-175.6000115.3
318S38.7Very low37.8Very low102 Ų102149.5 Ų149.571%0.71376%0.762SS**  trans69.5140.3-177.1-67.20000117.1
319D40.9Very low37.6Very low122 Ų122151.2 Ų151.265%0.65277%0.766SS**  cis-170.5156.6-16.1-106.3-32.3000109.4
320I39.6Very low37.5Very low132 Ų132153.4 Ų153.468%0.67777%0.769SS**  trans47.6124132.1-59.4170.6000117
321Q30.4Very low36.9Very low143 Ų143154.4 Ų154.467%0.66877%0.768SS**  cis-169-174.942.4-139.2158.7-23.500114.4
322E40.9Very low36.7Very low140 Ų140154.1 Ų154.165%0.65477%0.767SS**  trans4.7150.1140.1-74.8138.7-135.100118.5
323E40.3Very low36.5Very low169 Ų169160.1 Ų160.179%0.7978%0.781SS**  cis-161.6173.720.2-106.1152.5167.300105.7
324E44.7Very low35.9Very low176 Ų176156.8 Ų156.882%0.82278%0.776SS**  cis-110.2-168.8-2.1-73.8125.7137.400110
325E37.8Very low35.8Very low179 Ų179156.8 Ų156.884%0.83678%0.775SS**  cis72.2129.123.7-77.8172.1-164.200114.2
326E37.1Very low34.9Very low173 Ų173155.3 Ų155.381%0.80878%0.776SS**  cis-142.9-178.44.9-78.3155.5151.300108
327E35.8Very low34.2Very low174 Ų174152.1 Ų152.181%0.81377%0.765SS**  cis-133.9153.813.3-66.1170.4137.500111.5
328E30.2Very low33.4Very low167 Ų167152.3 Ų152.378%0.7876%0.756SS**  trans-17.5148.7163.2-63.4145.317500118.6
329E28.6Very low32.8Very low185 Ų185152.2 Ų152.286%0.86475%0.75SS**  cis64.6161.143.3-67.1-154.217300115.4
330E29.5Very low32Very low165 Ų165151.9 Ų151.977%0.77176%0.757SS**  trans68142.8-175.6-60.7-179.8171.600115.4
331E27.5Very low31.5Very low165 Ų165151 Ų15177%0.77176%0.762SS**  cis-149.4147.98.9-139.3168.2-167.600111.2
332E30.3Very low31.3Very low185 Ų185152.9 Ų152.986%0.86477%0.769SS**  trans-109.1148.8156.3-81.9-165.8141.400108.7
333E29.4Very low31Very low181 Ų181154 Ų15485%0.84677%0.774SS**  trans79141.8170-52-153.3121.600120.9
334E29.3Very low30.5Very low176 Ų176155.3 Ų155.382%0.82278%0.777SS**  trans80.5157.1153.4-120.3-163.7143.800123.1
335L28.4Very low29.9Very low150 Ų150155 Ų15579%0.78578%0.775SS**  trans64.386.6166.5-53.2-174.7000120.7
336G26.2Very low29.5Very low70 Ų70152.9 Ų152.972%0.72278%0.775SS**  85.8107.6108.100000120.1
337S29.9Very low29.2Very low87 Ų87149.1 Ų149.161%0.60877%0.773SS**  trans30.9110136-60.20000119.9
338R26.3Very low28.9Very low158 Ų158144 Ų14460%0.59677%0.766SS**  176.1132.7117.4-92.8150.7-173.9-161.3-0.4117.2F363R338-F363 HydrophobicContact CB-CE1 4.48Å; R338-F363 VanDerWaalsContact CD-CE1 3.43Å; R338-F363 HydrophobicContact CG-CD1 3.69Å; R338-F363 HydrophobicContact CG-CE1 3.62Å; R338-F363 VanDerWaalsContact CZ-CG 3.46Å
339T26.9Very low29Very low99 Ų99144.2 Ų144.261%0.60777%0.773SS**  trans55.8106.7142.261.30000122.7F363T339-F363 HydrophobicContact CG2-CD1 4.45Å; T339-F363 HydrophobicContact CG2-CE1 4.11Å
340C24.1Very low29.1Very low116 Ų116140.8 Ų140.878%0.78477%0.77SS**  54.4110.6117.7-56.80000123.1
341S27.5Very low29.1Very low113 Ų113140 Ų14079%0.7977%0.769SS**  95124.2118.978.80000123.3
342F27Very low29.3Very low183 Ų183142.4 Ų142.480%0.80377%0.771SS**  trans66.5105.2137.3-108.7-105000123.4
343Q34.2Very low29.4Very low164 Ų164139.2 Ų139.277%0.76676%0.756SS**  27.9119.9126.4-172.6-167.749.300119.6
344K30.3Very low29.5Very low195 Ų195137.5 Ų137.585%0.84875%0.753SS**  trans-152.5137140.3-167.7155.7-173.9171.40114.9
345Q32Very low29.5Very low169 Ų169132.8 Ų132.879%0.7975%0.751SS**  trans-98.1139.8161.3-73.4-176.9-10.500111.7
346V29.6Very low29.7Very low136 Ų136130 Ų13082%0.82475%0.75SS**  trans30125.8137.4-175.80000120.2
347A30.7Very low29.9Very low94 Ų94136.4 Ų136.478%0.77776%0.758SS**  trans67.5156.615500000119.6
348G30.1Very low29.9Very low65 Ų65137.7 Ų137.767%0.6777%0.767SS**  cis165.841.3-10.200000117.7
349N32.4Very low30Very low173 Ų173139.1 Ų139.193%0.92578%0.78SS**  trans-147.8166.7173-5.269.9000111.5
350S28.9Very low30.7Very low113 Ų113139.6 Ų139.679%0.7979%0.785SS**  trans-135.8146.7-165.2174.60000113.2
351I30.5Very low31.2Very low148 Ų148141.4 Ų141.476%0.75979%0.787SS**  trans169.3124.7132.6-90.1158.3000111.8
352R31.5Very low32Very low215 Ų215141.5 Ų141.581%0.81179%0.785SS**  trans54.3152153.8-76-178-179.5-120.75119.8
353E32.9Very low32.1Very low118 Ų118138.2 Ų138.255%0.55177%0.77SS**  cis-161.7146.6-9-136.9177.8102.600109.3
354N30.4Very low32.1Very low145 Ų145133.7 Ų133.778%0.77576%0.756SS**  trans57.1134.1164.4-46.1-46.6000116.8
355G30.4Very low32.1Very low77 Ų77133.5 Ų133.579%0.79476%0.759SS**  cis123.3139.623.100000108.8
356A32.3Very low32.9Very low91 Ų91131.1 Ų131.175%0.75276%0.756SS**  cis-167.7167-1.600000111.4
357K30.3Very low33.2Very low205 Ų205131.4 Ų131.489%0.89175%0.753SS**  trans72.4150166.7-58.9173.7-179.4178.80116.2
358S29.2Very low33.7Very low115 Ų115129.6 Ų129.680%0.80473%0.734SS**  cis-156.4164.8-1.325.30000112.5
359Q28.6Very low34.5Very low187 Ų187132.7 Ų132.787%0.87474%0.735SS**  trans-93.8-174.1173.4-65.8-149.3-67.200112.7
360P41Very low35.5Very low109 Ų109130.5 Ų130.571%0.70872%0.72SS**  cis-130.7175.4-13.324.7-1.7000115.4
361D35.1Very low36.7Very low155 Ų155131.1 Ų131.183%0.82971%0.71SS**  trans-91.3162.6163.1-56.5-71.9000112.8
362P44.4Very low37.8Very low114 Ų114129.3 Ų129.374%0.7470%0.701SS**  trans-144.611313533.7-16000115.6
363F29.4Very low38.9Very low114 Ų114124.4 Ų124.450%0.569%0.69SS.*  trans51124.9141.4-57.7-61.7000124.5R338 T339R338-F363 HydrophobicContact CB-CE1 4.48Å; R338-F363 VanDerWaalsContact CD-CE1 3.43Å; R338-F363 HydrophobicContact CG-CD1 3.69Å; R338-F363 HydrophobicContact CG-CE1 3.62Å; R338-F363 VanDerWaalsContact CZ-CG 3.46Å; T339-F363 HydrophobicContact CG2-CD1 4.45Å; T339-F363 HydrophobicContact CG2-CE1 4.11Å
364C34.2Very low40.1Very low70 Ų70125.5 Ų125.547%0.47370%0.695SS.*  41.8122.8126-54.80000121.3
365E31Very low40.9Very low191 Ų191124.7 Ų124.789%0.89369%0.687SS**  trans-146.2177133.1-126.4138.7-134.400109.2
366T47.7Very low42.2Very low119 Ų119127.2 Ų127.273%0.7368%0.681SS**  trans-127.9106.8-171.348.30000112.1
367D37.2Very low42.8Very low142 Ų142130 Ų13076%0.75968%0.682SS**  trans-106.2112.1167.3-52.5-63.5000106.6
368S41.2Very low44.1Very low56 Ų56127.7 Ų127.739%0.39268%0.675SS.*  80.3117.260.2-157.50000111.9E370S368-E370 WeakPolarHBondContact CB-OE1 3.3Å; S368-E370 PolarHBondContact O-N 2.87Å; S368-E370 VanDerWaalsContact OG-CD 3.27Å; S368-E370 PolarHBondContact OG-OE1 2.68Å
369D45.2Very low44.6Very low129 Ų129129.6 Ų129.669%0.6968%0.675SS**THydrogen-bonded Turntrans-75.2-2.7-169.245.6-58.1000114.6
370E54Low45Very low128 Ų128126.1 Ų126.160%0.59867%0.669SS**Hα-helixtrans-67.3-38.7172.860.2-151.7150.300113.6S368 I372 L373 E374S368-E370 WeakPolarHBondContact CB-OE1 3.3Å; S368-E370 PolarHBondContact O-N 2.87Å; S368-E370 VanDerWaalsContact OG-CD 3.27Å; S368-E370 PolarHBondContact OG-OE1 2.68Å; E370-I372 VanDerWaalsContact C-N 3.29Å; E370-I372 PolarHBondContact O-N 2.88Å; E370-L373 PolarHBondContact O-N 2.96Å; E370-E374 PolarHBondContact O-N 3.38Å; E370-E374 VanDerWaalsContact O-N 3.14Å
371E53.9Low44.8Very low125 Ų125128.5 Ų128.558%0.58468%0.675SS**Hα-helixtrans-62.7-35.5179.1-169.7-176.2-146.600111.8L373 E374 Q375E371-L373 VanDerWaalsContact C-N 3.35Å; E371-L373 PolarHBondContact O-N 3.39Å; E371-E374 PolarHBondContact O-N 2.86Å; E371-Q375 WeakPolarHBondContact O-CB 3.25Å; E371-Q375 PolarHBondContact O-N 3.28Å
372I54.7Low44.8Very low111 Ų111130.1 Ų130.157%0.56968%0.677SS**Hα-helixtrans-67.9-36.3-179.9-64.1176.7000111.2E370 Q375 I376E370-I372 VanDerWaalsContact C-N 3.29Å; E370-I372 PolarHBondContact O-N 2.88Å; I372-Q375 PolarHBondContact O-N 3.16Å; I372-I376 HydrophobicContact CG2-CD1 4.06Å; I372-I376 VanDerWaalsContact O-CG1 3.3Å; I372-I376 WeakPolarHBondContact O-CG1 3.48Å; I372-I376 PolarHBondContact O-N 3.03Å; I372-I376 VanDerWaalsContact O-N 3.08Å
373L54.2Low44.6Very low112 Ų112132.4 Ų132.459%0.58668%0.678SS**Hα-helixtrans-71.1-39.6177.1-67.6174.1000111.5E370 E371 I376 L377E370-L373 PolarHBondContact O-N 2.96Å; E371-L373 VanDerWaalsContact C-N 3.35Å; E371-L373 PolarHBondContact O-N 3.39Å; L373-I376 PolarHBondContact O-N 3.01Å; L373-L377 WeakPolarHBondContact O-CG 3.46Å; L373-L377 PolarHBondContact O-N 3.02Å
374E58.2Low44.9Very low141 Ų141136.5 Ų136.566%0.65970%0.696SS**Hα-helixtrans-65.3-39.8172.6-65.5-16717100111.6E370 E371 I376 L377 E378E370-E374 PolarHBondContact O-N 3.38Å; E370-E374 VanDerWaalsContact O-N 3.14Å; E371-E374 PolarHBondContact O-N 2.86Å; E374-I376 VanDerWaalsContact C-N 3.32Å; E374-I376 PolarHBondContact O-N 3.29Å; E374-L377 PolarHBondContact O-N 3.12Å; E374-L377 VanDerWaalsContact O-N 3.08Å; E374-E378 PolarHBondContact O-N 2.89Å
375Q46.8Very low45Very low128 Ų128139 Ų13960%0.59871%0.712SS**Hα-helixtrans-69.4-24.4177.9-150.389.612900114.1E371 I372E371-Q375 WeakPolarHBondContact O-CB 3.25Å; E371-Q375 PolarHBondContact O-N 3.28Å; I372-Q375 PolarHBondContact O-N 3.16Å
376I56.5Low45.2Very low130 Ų130135.6 Ų135.667%0.66771%0.71SS**Hα-helixtrans-76.2-26.7171.3-72.1166.7000111.4I372 L373 E374I372-I376 HydrophobicContact CG2-CD1 4.06Å; I372-I376 VanDerWaalsContact O-CG1 3.3Å; I372-I376 WeakPolarHBondContact O-CG1 3.48Å; I372-I376 PolarHBondContact O-N 3.03Å; I372-I376 VanDerWaalsContact O-N 3.08Å; L373-I376 PolarHBondContact O-N 3.01Å; E374-I376 VanDerWaalsContact C-N 3.32Å; E374-I376 PolarHBondContact O-N 3.29Å
377L45.9Very low44.9Very low150 Ų150138.9 Ų138.979%0.78571%0.714SS**Hα-helixtrans-87.1-25.3178.1-68.7170.6000113.4L373 E374 L379L373-L377 WeakPolarHBondContact O-CG 3.46Å; L373-L377 PolarHBondContact O-N 3.02Å; E374-L377 PolarHBondContact O-N 3.12Å; E374-L377 VanDerWaalsContact O-N 3.08Å; L377-L379 PolarHBondContact O-N 2.8Å
378E56.9Low44.8Very low156 Ų156140.8 Ų140.873%0.72972%0.716SS**  trans-95.581.8-178.9-170.4152.9-140.100114.6E374E374-E378 PolarHBondContact O-N 2.89Å
379L39.4Very low45Very low154 Ų154143.6 Ų143.681%0.80673%0.726SS**SBendtrans-128.4149.7153.9-82.7-179.2000111.2L377L377-L379 PolarHBondContact O-N 2.8Å
380P38.6Very low44.4Very low115 Ų115146 Ų14675%0.74773%0.73SS**  trans-79132.7-146.727.2-36.2000115.6Q382P380-Q382 PolarHBondContact O-N 2.82Å; P380-Q382 VanDerWaalsContact O-N 3.11Å
381L37Very low43.3Very low159 Ų159144.1 Ų144.183%0.83273%0.732SS**  trans-56.9109.8165-71.2171.1000111.3Q383L381-Q383 VanDerWaalsContact C-N 3.28Å; L381-Q383 PolarHBondContact O-N 3.19Å
382Q35.1Very low42Very low188 Ų188146 Ų14688%0.87974%0.744SS**  trans-75.377.1176.2-165.7174.828.300111.8P380 F384P380-Q382 PolarHBondContact O-N 2.82Å; P380-Q382 VanDerWaalsContact O-N 3.11Å; Q382-F384 PolarHBondContact O-N 2.79Å
383Q38.5Very low41.2Very low163 Ų163145.1 Ų145.176%0.76275%0.745SS**  trans-65.1101.8175.2-73.1-168.9-7.600112.5L381L381-Q383 VanDerWaalsContact C-N 3.28Å; L381-Q383 PolarHBondContact O-N 3.19Å
384F36.3Very low40.3Very low200 Ų200149 Ų14988%0.87776%0.761SS**  trans-140.947.1152.4-85.5-61.4000113.2Q382 S386Q382-F384 PolarHBondContact O-N 2.79Å; F384-S386 PolarHBondContact O-N 3.1Å
385C37.5Very low39Very low121 Ų121150.6 Ų150.682%0.81877%0.768SS**  trans-81.699.2163.9-61.10000110.3K387C385-K387 PolarHBondContact O-N 3.31Å
386S33.5Very low38.6Very low121 Ų121153.6 Ų153.685%0.84678%0.782SS**  trans-73.595.5176.758.10000112F384F384-S386 PolarHBondContact O-N 3.1Å
387K41.5Very low37.4Very low188 Ų188156.4 Ų156.482%0.81779%0.792SS**  trans-68.8132.4174.5-62.4-176.3179.9-175.50112.3C385C385-K387 PolarHBondContact O-N 3.31Å
388K35.1Very low36.6Very low181 Ų181158.3 Ų158.379%0.78780%0.797SS**  -171.2107.2127.1-101.4159.8-177-1780109.5
389L45.5Very low35.4Very low116 Ų116159.6 Ų159.661%0.60780%0.803SS**  70.7140.988.7-67.1-175000111.7
390F34.1Very low35.1Very low179 Ų179160.6 Ų160.679%0.78580%0.804SS**  cis-132.1142.128.9-69.9-91.5000110.5
391S29.3Very low34.7Very low89 Ų89162.6 Ų162.662%0.62280%0.803SS**  74.3112.465-49.80000114.3
392I27.8Very low34.4Very low163 Ų163161 Ų16184%0.83680%0.795SS**  trans-112.8142.4148.8-63.2176.5000104.9
393P37.3Very low34.3Very low93 Ų93159.2 Ų159.260%0.60479%0.787SS**  trans-69.7158.2-178.3-17.432.4000113.5E395P393-E395 HydrophobicContact CB-CG 4.19Å
394E34.6Very low34Very low195 Ų195159.4 Ų159.491%0.91179%0.788SS**  trans-79.1137.2149.7-66.2152.2132.700107.1
395E31Very low33.9Very low173 Ų173156.7 Ų156.781%0.80878%0.778SS**  trans-129.5124.8173.1-65.4-175.3-142.100107.6P393P393-E395 HydrophobicContact CB-CG 4.19Å
396E39Very low33.6Very low191 Ų191157 Ų15789%0.89377%0.767SS**  trans-90.5121.9179-63.3170.7118.100109.6
397E30.9Very low33.5Very low189 Ų189158.1 Ų158.188%0.88376%0.757SS**  trans-135112155.4-63.5-173148.200104
398E29.4Very low32.8Very low191 Ų191155 Ų15589%0.89376%0.759SS**  69.2156.865.3-66.1-150.3146.100114
399E33Very low32.5Very low183 Ų183149.6 Ų149.686%0.85575%0.754SS**  trans-92.6-174.3-162-55.8-174.7124.400113.6
400E32Very low31.7Very low174 Ų174149.6 Ų149.681%0.81377%0.771SS**  trans69.7157.1169.6-55.9-174.816200115.7
401E30.7Very low31.4Very low158 Ų158144.9 Ų144.974%0.73877%0.773SS**  cis-152.5178.9-35.1-111.9-172.9163.700106.3
402D30.8Very low31.3Very low125 Ų125146.8 Ų146.867%0.66879%0.785SS**  trans13.9148.6142.5-64-10.1000120.8
403E32.8Very low31.5Very low151 Ų151144.8 Ų144.871%0.70679%0.785SS**  cis-166.6166.313.6-127.6172.6175.900110
404E31.8Very low31.3Very low166 Ų166144.9 Ų144.978%0.77679%0.788SS**  trans62.7162.9153.6-68.7-173.1159.400119.2
405E34.7Very low31Very low144 Ų144146.9 Ų146.967%0.67379%0.787SS**  cis-144.3169.83-140.8-156.3156.500112.1
406E32Very low30.9Very low127 Ų127145.5 Ų145.559%0.59379%0.785SS**  trans21.1145.2146.5-76.1-156.6152.800123
407K30Very low31.2Very low145 Ų145142 Ų14263%0.6378%0.779SS**  cis170.9149.74158.9169.2167.9-178.20113.9
408S26.4Very low31.1Very low122 Ų122136.1 Ų136.185%0.85377%0.77SS**  trans64.3153.116173.20000118.3
409G29.1Very low32.5Very low67 Ų67133 Ų13369%0.69177%0.766SS**  cis165158.4-10.700000114.1
410A29.7Very low33Very low117 Ų117130.3 Ų130.397%0.96776%0.764SS**  trans45.2123.915900000121.2
411G27.4Very low32.9Very low79 Ų79130.5 Ų130.581%0.81477%0.765SS**  trans145.7111.514900000115.9
412C27.9Very low33.5Very low130 Ų130127.9 Ų127.988%0.87876%0.762SS**  trans-115.7170.7169.8-56.90000111
413S30.7Very low33.4Very low120 Ų120125.8 Ų125.884%0.83976%0.762SS**  trans74.7143.8174.3-920000116.7
414S33.8Very low33.1Very low95 Ų95126 Ų12666%0.66477%0.767SS**  cis-166.2173.80.655.10000113.1
415R27.1Very low32.9Very low238 Ų238125.9 Ų125.990%0.89877%0.771SS**  trans108.3113.1142.3-86.2176.1163.9-169.2-6.8122.4
416D30.3Very low32.6Very low143 Ų143122.3 Ų122.377%0.76577%0.772SS**  trans-53.5174.9142.5-149.438.5000112.4
417P45.8Very low32.5Very low117 Ų117124.7 Ų124.776%0.7679%0.788SS**  cis-152.1175.224.145.3-24.2000121
418G27.3Very low32.4Very low67 Ų67120.9 Ų120.969%0.69179%0.79SS**  trans131.2133.4139.500000120.6
419P58.5Low32.4Very low126 Ų126121 Ų12182%0.81879%0.789SS**  trans-99.5-175.1175.742.9-38000112.9
420P44.5Very low32.4Very low125 Ų125124.6 Ų124.681%0.81279%0.793SS**  cis-146.4-169.122.645.5-23.4000119.3
421E28.8Very low32.5Very low178 Ų178124.3 Ų124.383%0.83278%0.783SS**  trans-65-179.2172.4-106.8-150.9133.900116.2
422P45.1Very low32.5Very low104 Ų104124.4 Ų124.468%0.67579%0.785SS**  cis-137.4-170.50.233.6-10.8000116.7
423A28.1Very low32.7Very low80 Ų80127.1 Ų127.166%0.66179%0.785SS**  trans98.6117.6137.200000124.1
424L27Very low33.7Very low157 Ų157126.2 Ų126.282%0.82278%0.776SS**  65.5137.9126.7-70.9179.6000125.4
425L27.5Very low33.4Very low163 Ų163133.7 Ų133.785%0.85379%0.789SS**  trans82.2147.9146.3-70.5161.5000122.1
426G27.6Very low33.4Very low68 Ų68132.9 Ų132.970%0.70179%0.786SS**  trans105107.317300000113.3
427L29.8Very low34.4Very low178 Ų178131.9 Ų131.993%0.93279%0.788SS**  cis77.9127.841.5-59.6176.6000115.4
428G27.6Very low33.4Very low64 Ų64129.5 Ų129.566%0.6679%0.785SS**  trans106.3120.9-173.300000110.8
429C27.8Very low33.5Very low124 Ų124135.9 Ų135.984%0.83880%0.797SS**  cis62.7131.830.5-42.20000112.7
430D28.8Very low32Very low144 Ų144135.8 Ų135.877%0.7780%0.798SS**  cis-151.3-178.98.9-146-64.9000112.3
431S30.1Very low31.9Very low110 Ų110135.6 Ų135.677%0.76980%0.796SS**  trans-42.9155.517752.70000119.1
432G29Very low31.8Very low82 Ų82134.6 Ų134.685%0.84580%0.796SS**  trans171.184.1167.700000118.2
433Q32Very low31Very low186 Ų186134.6 Ų134.687%0.86980%0.798SS**  trans-125.3171.4161.5-113.3-156.530.500109
434P51.6Low32.1Very low101 Ų101135.7 Ų135.766%0.65680%0.799SS**  cis-134.4-177.5-2136.3-19.3000113.5
435R27.7Very low32.4Very low252 Ų252136.5 Ų136.595%0.95180%0.798SS**  trans-160.2147.2149.7-114.7163.2-171.9-108.10.7115
436R26.7Very low32.8Very low221 Ų221133 Ų13383%0.83479%0.787SS**  trans-110-178.4177.8-90.7-177.1175.3157.8-2.5109.7
437P51.6Low33.1Very low122 Ų122134.1 Ų134.179%0.79279%0.785SS**  cis-138.7-174.7-46.640.7-24.5000113.1
438G25.3Very low33.2Very low68 Ų68137.2 Ų137.270%0.70178%0.784SS**  trans134.7129.5135.300000122.4
439Q27.6Very low33.2Very low201 Ų201138.9 Ų138.994%0.93979%0.791SS**  trans73.8156.9144.5-54.1-167.423.100121.9
440C27.2Very low33.3Very low124 Ų124135.7 Ų135.784%0.83878%0.78SS**  trans-102176.2-168-500000112.7
441P42.1Very low33.7Very low120 Ų120136.2 Ų136.278%0.77978%0.783SS**  -156.3150.789.439.5-19.9000119.6
442L28.2Very low33.8Very low157 Ų157136 Ų13682%0.82278%0.78SS**  trans29.8134.2140.1-60.2175.5000125.4
443S27.6Very low33.8Very low104 Ų104138.6 Ų138.673%0.72777%0.774SS**  trans80.4160.5134.5-70.50000122
444P50.8Low33.9Very low104 Ų104138.4 Ų138.468%0.67577%0.773SS**  cis-146.5-172.9-3742.6-24.7000116.4
445E34.5Very low32.7Very low173 Ų173141.1 Ų141.181%0.80878%0.782SS**  trans75.4156.2152.8-72.8-153.273.700122.4
446S34.3Very low32.9Very low89 Ų89136.8 Ų136.862%0.62277%0.774SS**  cis-174.3-179.9-28.371.70000108.6
447S34.6Very low34Very low93 Ų93132 Ų13265%0.6577%0.772SS**  cis-162.7177.41.758.10000111
448R32Very low32.7Very low243 Ų243129.5 Ų129.592%0.91777%0.768SS**  trans74.1145.9161.6-70-177.9159.1-159.7-8.9119.7
449A27.9Very low33Very low98 Ų98134.1 Ų134.181%0.8178%0.776SS**  cis-173171.9-13.200000108.4
450G30.6Very low33.2Very low58 Ų58131.5 Ų131.560%0.59877%0.773SS**  cis154.9151.9-5.600000112.5
451D36.8Very low33.3Very low155 Ų155129.3 Ų129.383%0.82977%0.772SS**  trans67.3165.3162.7-60.8-91.2000118.7
452C31.4Very low32.7Very low106 Ų106126.8 Ų126.872%0.71677%0.767SS**  cis-174.9164.7-32.8-95.20000108.8
453L30.2Very low32.8Very low136 Ų136125.1 Ų125.171%0.71277%0.769SS**  cis-176.7140.7-22172.5137.4000111.8
454E33.3Very low32.8Very low182 Ų182124.5 Ų124.585%0.8577%0.765SS**  trans68152.5165.7-78.3-172.5128.500125.6
455D27.3Very low32Very low158 Ų158129.5 Ų129.585%0.84577%0.77SS**  trans85.9160157.8-138.84.5000123.8
456M31.1Very low31.9Very low161 Ų161129.4 Ų129.479%0.79376%0.762SS**  trans-102.2-170.2-169.1-77.6-88.797.800113.2
457P48.8Very low31.8Very low120 Ų120134.9 Ų134.978%0.77977%0.769SS**  cis-132.8170.2-18.733-14.2000116.3
458G25.2Very low31.5Very low70 Ų70134 Ų13472%0.72278%0.775SS**  102.3159.2121.800000123.1
459L32Very low31.4Very low165 Ų165126.8 Ų126.886%0.86478%0.776SS**  trans66.8125.7169.5-55.8172.6000117
460V32.2Very low31.3Very low145 Ų145126 Ų12688%0.87978%0.777SS**  cis78.9104.943.6179.80000114.2
461G28.1Very low31.5Very low79 Ų79128.9 Ų128.981%0.81479%0.788SS**  trans155121.3168.200000110.9
462G29.4Very low32Very low66 Ų66126.6 Ų126.668%0.6878%0.782SS**  cis137.4138.8-2.700000111.3
463S30Very low31.9Very low123 Ų123130.3 Ų130.386%0.8679%0.789SS**  trans71.4157.2-179.187.40000116.3
464S29.2Very low32.1Very low91 Ų91133.1 Ų133.164%0.63680%0.795SS**  cis-168.7149.1-3561.30000112.5
465R33.1Very low32.7Very low208 Ų208129.9 Ų129.979%0.78579%0.79SS**  trans50.7125.9132.5-71-179.3-170.2-81.16.3120.6
466R33Very low33.6Very low171 Ų171127.6 Ų127.665%0.64578%0.784SS**  trans93.5131.2130-77.6174.1-177.3-65.15.9120.3
467R31.9Very low33.4Very low205 Ų205125.4 Ų125.477%0.77478%0.784SS**  trans65.7132.8147.5-69.3-173.7-103-117.911.4115.4
468G27.9Very low32.6Very low75 Ų75131.1 Ų131.177%0.77379%0.79SS**  cis97.8112.72.700000113.4
469G29.8Very low32.9Very low90 Ų90139 Ų13993%0.92880%0.798SS**  trans107.3118.1173.300000114.5
470G26.5Very low32.8Very low81 Ų81141 Ų14184%0.83579%0.794SS**  trans131.995165.300000115.6
471S33.8Very low32.8Very low119 Ų119139.9 Ų139.983%0.83279%0.79SS**  trans-74.8167.3161.1-49.10000111
472P47.7Very low33.3Very low108 Ų108142 Ų14270%0.70179%0.789SS**  -144.6157.310437.5-23.6000117.1
473E29.8Very low33.4Very low183 Ų183145.2 Ų145.286%0.85579%0.791SS**  trans71.4174.5148.9-71.4175.2110.300121.6
474K33.3Very low33.8Very low195 Ų195145.4 Ų145.485%0.84879%0.79SS**  trans-165173-147.5-90.4-177.8179.3178.70108.9
475P46.8Very low34.2Very low114 Ų114151.6 Ų151.674%0.7480%0.799SS**  cis-126.8-144.9-30.841.9-23.8000107.9
476P46.8Very low34.3Very low110 Ų110150.9 Ų150.971%0.71481%0.805SS**  cis-130.9155.3-20.937.6-21.1000115.8
477S26.4Very low34.3Very low115 Ų115150.4 Ų150.480%0.80481%0.809SS**  173.6151.3114.151.60000114.8
478R31.6Very low34.2Very low240 Ų240145.5 Ų145.591%0.90681%0.805SS**  trans37.598156-69.6-175.5168.4-162.1-3.9121.3
479R31.3Very low34.3Very low235 Ų235148 Ų14889%0.88781%0.811SS**  -174.3169.1129.8-93.9176.2-156.8-125.217.7104.5
480R29.5Very low34.3Very low207 Ų207154.8 Ų154.878%0.78181%0.809SS**  cis-153.61534.7-151.7177.7-77.4170.1-10.4106.3
481P33.9Very low34.5Very low123 Ų123158.4 Ų158.480%0.79981%0.808SS**  trans-82.6146.8169.533.1-34000112.1
482P37.8Very low34.3Very low122 Ų122160 Ų16079%0.79281%0.806SS**  trans-120.8151.7165.938.1-27.7000114.9
483D32Very low33.4Very low134 Ų134158.7 Ų158.772%0.71780%0.8SS**  trans-6.3140.5154.6-178.845.5000121
484P37.1Very low33.4Very low128 Ų128156 Ų15683%0.83179%0.791SS**  trans-113.662.1173.742.4-32.8000115.6
485R37.3Very low33.3Very low221 Ų221153.5 Ų153.583%0.83479%0.788SS**  trans-147.867.6164.9-143.3175.9-163.5-112.16.6117.6
486E37Very low32.5Very low193 Ų193151.6 Ų151.690%0.90279%0.788SS**  trans-158.1179.5150-121.4-174.3-143.600117.5
487H32.8Very low32.5Very low160 Ų160152.8 Ų152.874%0.74180%0.796SS**  trans-73.9143.6-148.3-88-80.7000121.6
488C28.7Very low32.7Very low102 Ų102156.1 Ų156.169%0.68980%0.799SS**  trans50.1130.5132-65.60000123.9
489S29.8Very low32.5Very low129 Ų129149 Ų14990%0.90279%0.792SS**  -157.3164.7118.1-88.80000112.6
490R30Very low32.6Very low231 Ų231144 Ų14487%0.87279%0.792SS**  trans-117.9-171.6-165-63.4-176.7175.3-173.3-0.7113.5
491L30.4Very low32.5Very low158 Ų158137.3 Ų137.383%0.82779%0.789SS**  trans84116.9174.8-48176.6000111.9
492L31.1Very low32.3Very low151 Ų151142.2 Ų142.279%0.79179%0.791SS**  cis-144.3168.711.6-69.9178.5000107.8
493S27Very low31.8Very low82 Ų82143.8 Ų143.857%0.57379%0.792SS**  cis-177.2171-5.9-100.40000106.3
494N30.2Very low31.5Very low125 Ų125140.7 Ų140.767%0.66879%0.792SS**  cis-168.7161.3-11.4-961.2000105.4
495N31Very low32.5Very low144 Ų144140.6 Ų140.677%0.7779%0.791SS**  cis-167.7144.1-24-100-9.2000108
496G31.3Very low32Very low73 Ų73136.4 Ų136.475%0.75379%0.79SS**  trans88.3172.4173.400000115.3
497P45.6Very low31.9Very low136 Ų136136.9 Ų136.988%0.88378%0.784SS**  cis-105.2-175.414.340.3-34.9000115.2
498Q30.4Very low31.7Very low184 Ų184134.9 Ų134.986%0.8678%0.775SS**  trans-117179.7178.9-112.4-92.97.600110
499A28.2Very low31.8Very low91 Ų91139.8 Ų139.875%0.75278%0.779SS**  trans90.6139.1160.100000120.7
500S32.6Very low31.8Very low129 Ų129137.4 Ų137.490%0.90277%0.774SS**  trans-89.4148164.6171.40000110.2
501G28.5Very low31.6Very low68 Ų68130.2 Ų130.270%0.70177%0.772SS**  trans17588.2177.400000118.5
502R28.7Very low31.9Very low226 Ų226130.3 Ų130.385%0.85377%0.773SS**  trans36.5140.4130.6-130-178-157.4-91.32.4121.8
503L28.1Very low32.7Very low154 Ų154128.7 Ų128.781%0.80677%0.771SS**  trans91.3139.5157.5-51.8172.8000119.3
504G25.9Very low32.9Very low69 Ų69130.3 Ų130.371%0.71178%0.778SS**  trans-116.2-138.9159.800000109.5
505P57.3Low32.9Very low126 Ų126131.4 Ų131.482%0.81878%0.782SS**  cis-138.2173.9-18.843-27.5000114.8
506T27.8Very low32.8Very low134 Ų134133.3 Ų133.382%0.82279%0.786SS**  trans-166.6137.4154.631.30000110.2
507R33.7Very low32.7Very low203 Ų203133 Ų13377%0.76678%0.784SS**  65.814166-98.5-169.9147.5169.7-5.7114.3
508E29.9Very low32.5Very low117 Ų117132.1 Ų132.155%0.54778%0.778SS.*  cis-163.1-176.5-9.2-139.4179.9-122.400106.3
509R31.1Very low32.6Very low205 Ų205134.2 Ų134.277%0.77478%0.778SS**  cis-166.71458.5165.2-179.6-68.8-136.3-6.1110.7
510G28.3Very low32.5Very low79 Ų79136.1 Ų136.181%0.81478%0.78SS**  trans77.6169.4158.300000116.9
511G27.7Very low32.3Very low80 Ų80133.4 Ų133.483%0.82577%0.773SS**  cis172.6146.9-6.400000112.4
512L34.9Very low32.5Very low161 Ų161138.3 Ų138.384%0.84378%0.782SS**  trans-78.1157.3178.2-62.2171.1000112.2
513P48.6Very low32.6Very low116 Ų116135.3 Ų135.375%0.75378%0.778SS**  -126.5160.4826.617.2000112.5
514V30.7Very low32.8Very low117 Ų117131 Ų13171%0.70976%0.764SS**  cis72.8113.544.1-174.60000114.5
515I30.6Very low32.9Very low147 Ų147133.9 Ų133.975%0.75477%0.774SS**  trans177.4128.8133.8-91.3159000111.5
516E29.8Very low31.5Very low184 Ų184131.7 Ų131.786%0.8677%0.773SS**  trans15.7150.6152.1-52.2176.7116.600124.4
517G28Very low31.6Very low68 Ų68137.5 Ų137.570%0.70178%0.78SS**  trans-82-157.9162.200000113.2
518P41Very low31.2Very low117 Ų117131.1 Ų131.176%0.7678%0.778SS**  -157.1177.153.143.7-22.7000119.3
519R32.9Very low31.3Very low228 Ų228136.9 Ų136.986%0.8679%0.794SS**  trans65.1129.9141.8-80.2173.4-174.6-161.71.3124.2
520T26.7Very low31.1Very low130 Ų130134.8 Ų134.880%0.79880%0.798SS**  trans61.5104.6138.458.70000122
521G27.3Very low31.1Very low73 Ų73134.3 Ų134.375%0.75379%0.793SS**  81.3127.591.700000120.1
522L34.1Very low31.9Very low171 Ų171136.4 Ų136.490%0.89579%0.792SS**  trans166.4151.8158.5-90.4154.7000105.6
523E30.6Very low31.6Very low163 Ų163133.8 Ų133.876%0.76279%0.787SS**  cis173.1165.5-25.1-134.6-70.779.600105.1
524A31.2Very low30.7Very low64 Ų64138.1 Ų138.153%0.52979%0.788SS.*  trans56.4108.4152.300000121.2
525S28.2Very low30.6Very low129 Ų129143 Ų14390%0.90279%0.794SS**  39.5138.2112-60.10000121.8
526G27.6Very low30.4Very low79 Ų79142 Ų14281%0.81480%0.798SS**  trans170.590.3151.700000119.2G528G526-G528 PolarHBondContact O-N 3.31Å
527R30.2Very low30.4Very low256 Ų256138.2 Ų138.297%0.96679%0.792SS**  trans-57.6126.3174.9-56.4169.1-177.4-89.42.1114.9
528G24.8Very low30.5Very low69 Ų69147.1 Ų147.171%0.71181%0.805SS**  96.6138.6106.600000122.5G526G526-G528 PolarHBondContact O-N 3.31Å
529R32.8Very low29.8Very low238 Ų238145.3 Ų145.390%0.89881%0.807SS**  trans67.9149.1165.9-61.3-178.1171.8-94.7-0.2115.2
530L27.6Very low29.5Very low161 Ų161143.3 Ų143.384%0.84380%0.8SS**  cis-143.8168.233.6-72.1158.4000113
531G27.7Very low29.4Very low69 Ų69141.1 Ų141.171%0.71180%0.795SS**  trans-102.5-148.416200000111.7
532P44.2Very low29.5Very low124 Ų124143.1 Ų143.181%0.80579%0.788SS**  cis-143.5169.6-2.742.9-25.2000117.4
533S29.4Very low29.5Very low106 Ų106141.3 Ų141.374%0.74178%0.775SS**  trans53.6131.7142.1-1710000123.1
534R29.9Very low30Very low207 Ų207139.3 Ų139.378%0.78178%0.776SS**  -171.2131.3125.1-106.4169.2-159.6-78.13.3116.5
535R28.4Very low29.9Very low220 Ų220139 Ų13983%0.8378%0.778SS**  trans80.8152157.2-56.6-176.9-163.3-98.45.7120.4
536C26.8Very low30.3Very low125 Ų125141.4 Ų141.485%0.84578%0.78SS**  trans-131.9-176.5-176-290000109
537S29.1Very low30.4Very low105 Ų105141.3 Ų141.373%0.73477%0.772SS**  cis-174160.17.235.90000112.5
538R29.9Very low30.7Very low255 Ų255134.1 Ų134.196%0.96276%0.761SS**  trans74.9139.7171.1-65.8-177.6164.6-169.7-6.1117.7
539G25.9Very low30.9Very low79 Ų79136.2 Ų136.281%0.81476%0.763SS**  cis126.6148-100000113.2
540R28Very low31.2Very low186 Ų186132.2 Ų132.270%0.70276%0.759SS**  cis-93.5-127.27.8-159.2-158.4-177.7-150.45.7112.2L542R540-L542 HydrophobicContact CG-CB 4.48Å; R540-L542 HydrophobicContact CG-CD1 4.31Å; R540-L542 VanDerWaalsContact NH1-C 3.31Å; R540-L542 VanDerWaalsContact NH1-CB 3.34Å; R540-L542 PolarHBondContact NH1-O 2.69Å
541A24Very low31.7Very low84 Ų84127.3 Ų127.369%0.69474%0.738SS**  cis-164.2147.94.200000109.1
542L28.4Very low32.4Very low116 Ų116130.1 Ų130.161%0.60774%0.744SS**  cis71.9122.30.9-53.6173.1000115.7R540R540-L542 HydrophobicContact CG-CB 4.48Å; R540-L542 HydrophobicContact CG-CD1 4.31Å; R540-L542 VanDerWaalsContact NH1-C 3.31Å; R540-L542 VanDerWaalsContact NH1-CB 3.34Å; R540-L542 PolarHBondContact NH1-O 2.69Å
543E33.9Very low32.5Very low133 Ų133131.9 Ų131.962%0.62174%0.739SS**  cis-157.7-168.928-96.6-51.492.400111
544P41.7Very low33.6Very low121 Ų121130.9 Ų130.979%0.78673%0.731SS**  cis-124.6-177.22.343.2-27.2000114.7
545G29.9Very low35.4Very low56 Ų56123.8 Ų123.858%0.57771%0.709SS**  cis133.4124.22.900000109.9
546L35.2Very low37.4Very low180 Ų180119.7 Ų119.794%0.94270%0.699SS**  -141.9164.183.4-59.1176.3000111.6
547A30.6Very low39.7Very low78 Ų78119.3 Ų119.365%0.64569%0.687SS**  cis-173.875.8-32.200000108.1C549A547-C549 PolarHBondContact O-N 3.23Å
548S35.7Very low41.2Very low104 Ų104119.7 Ų119.773%0.72769%0.69SS**  trans-72.6124.7175.6177.20000110.7L550S548-L550 VanDerWaalsContact C-N 3.33Å; S548-L550 PolarHBondContact O-N 3.25Å
549C30.1Very low42.5Very low113 Ų113114.7 Ų114.776%0.76468%0.68SS**  trans-91.849.8-173.2-72.50000113.4A547 S551A547-C549 PolarHBondContact O-N 3.23Å; C549-S551 PolarHBondContact O-N 3.23Å
550L39.8Very low44.1Very low154 Ų154119.6 Ų119.681%0.80668%0.682SS**  trans-69.575.1174.8-70.4176.7000112.4S548S548-L550 VanDerWaalsContact C-N 3.33Å; S548-L550 PolarHBondContact O-N 3.25Å
551S37.1Very low44.7Very low58 Ų58120.7 Ų120.741%0.40669%0.688SS.*  trans-74.7135.1156178.40000108.6C549 K553 C554C549-S551 PolarHBondContact O-N 3.23Å; S551-K553 PolarHBondContact O-N 3.31Å; S551-C554 PolarHBondContact O-N 2.84Å
552P42.3Very low45.6Very low128 Ų128123.7 Ų123.783%0.83169%0.692SS**THydrogen-bonded Turntrans-76.347.2-179.733.9-37.7000112.4
553K45.8Very low46.2Very low161 Ų161122.2 Ų122.270%0.769%0.692SS**THydrogen-bonded Turntrans-152.32-175.8-64.1-171.3178.7177.30113.5S551S551-K553 PolarHBondContact O-N 3.31Å
554C54.1Low46.4Very low86 Ų86124.7 Ų124.758%0.58170%0.703SS**  trans-128.7118.8-174.8-58.40000108.3S551S551-C554 PolarHBondContact O-N 2.84Å
555L67.8Low46.2Very low58 Ų58125.2 Ų125.230%0.30470%0.7SS.*  trans-99.2127.5170.3-175.662.8000107.3E105 L108 L109 I557E105-L555 HydrophobicContact CG-CD2 4.08Å; L108-L555 HydrophobicContact CD2-CB 3.93Å; L108-L555 HydrophobicContact CD2-CD1 4.32Å; L108-L555 HydrophobicContact CD2-CG 4.5Å; L108-L555 HydrophobicContact CG-CB 4.5Å; L109-L555 HydrophobicContact CD1-CD2 3.62Å; L555-I557 HydrophobicContact CD2-CD1 4.22Å; L555-I557 HydrophobicContact CD2-CG1 4.32Å; L555-I557 HydrophobicContact CG-CG1 4.14Å
556E70.6Confident46.9Very low134 Ų134132 Ų13263%0.62672%0.716SS**  trans-109.9104.3-178.7-174.9161.6-147.200108.7R118R118-E556 IonicContact CZ-OE1 3.74Å; R118-E556 IonicContact NH1-OE1 3.78Å; R118-E556 PolarHBondContact NH1-OE1 3.46Å
557I73.2Confident47Very low117 Ų117131.2 Ų131.260%0.671%0.708SS**  trans-98.8118.7179.8-55.8175.7000107.7L555 I559L555-I557 HydrophobicContact CD2-CD1 4.22Å; L555-I557 HydrophobicContact CD2-CG1 4.32Å; L555-I557 HydrophobicContact CG-CG1 4.14Å; I557-I559 HydrophobicContact CG2-CG1 4.34Å
558S62.4Low47.3Very low113 Ų113136.9 Ų136.979%0.7972%0.721SS**  trans-92.3128.8172.7-63.20000109.1
559I57.3Low47.3Very low149 Ų149136.3 Ų136.376%0.76472%0.722SS**  trans-115.3101.3173.9-56.1176.5000106.6I557I557-I559 HydrophobicContact CG2-CG1 4.34Å
560E57.9Low47.3Very low183 Ų183134.5 Ų134.586%0.85572%0.723SS**  trans-81.6140.3169.860.2-161.4156.600110D562E560-D562 PolarHBondContact O-N 3.14Å
561Y41.9Very low46.9Very low208 Ų208133.2 Ų133.282%0.81673%0.727SS**  trans-99.285.5-176-139-89.6000108.2S563Y561-S563 PolarHBondContact O-N 3.29Å; Y561-S563 PolarHBondContact O-OG 3.33Å
562D41.4Very low46.5Very low148 Ų148134 Ų13479%0.79174%0.744SS**  trans-60.8129.2177.6-159-0.3000109.4E560E560-D562 PolarHBondContact O-N 3.14Å
563S41.5Very low45.8Very low85 Ų85131.4 Ų131.459%0.59474%0.74SS**  trans-13070.1-161-63.30000109.4Y561 D565Y561-S563 PolarHBondContact O-N 3.29Å; Y561-S563 PolarHBondContact O-OG 3.33Å; S563-D565 PolarHBondContact O-N 3.05Å
564E38.3Very low45.1Very low184 Ų184131.8 Ų131.886%0.8675%0.748SS**  trans-73.859.4-178.755.8176143.900113.6E566E564-E566 PolarHBondContact O-N 2.97Å
565D38.6Very low43.8Very low133 Ų133133.1 Ų133.171%0.71176%0.759SS**  trans-87.989166.1-89.8-49.7000110.4S563 Q567S563-D565 PolarHBondContact O-N 3.05Å; D565-Q567 PolarHBondContact O-N 3.45Å
566E44.1Very low41.9Very low197 Ų197137.8 Ų137.892%0.92178%0.782SS**  trans-70.674.8170.1-74.5-155.2119.500111.9E564 E568E564-E566 PolarHBondContact O-N 2.97Å; E566-E568 PolarHBondContact O-N 3.05Å; E566-E568 VanDerWaalsContact O-N 3.17Å
567Q37.7Very low39.9Very low164 Ų164137.2 Ų137.277%0.76679%0.788SS**  trans-75.297.8167.5-74.3-177.757.300110.4D565 A569D565-Q567 PolarHBondContact O-N 3.45Å; Q567-A569 VanDerWaalsContact C-N 3.31Å; Q567-A569 PolarHBondContact O-N 3.04Å
568E35.6Very low37.6Very low198 Ų198136.8 Ų136.893%0.92580%0.796SS**  trans-68.385.6174.9-169.2171.4-175.900111.5E566 G570E566-E568 PolarHBondContact O-N 3.05Å; E566-E568 VanDerWaalsContact O-N 3.17Å; E568-G570 VanDerWaalsContact C-N 3.35Å; E568-G570 PolarHBondContact O-N 3.27Å
569A35.5Very low35.9Very low92 Ų92137 Ų13776%0.7680%0.797SS**  trans-74.379.4-177.100000112.6Q567 S571Q567-A569 VanDerWaalsContact C-N 3.31Å; Q567-A569 PolarHBondContact O-N 3.04Å; A569-S571 PolarHBondContact O-N 3.45Å
570G31.3Very low34.4Very low75 Ų75134.7 Ų134.777%0.77379%0.793SS**  trans-57.8100.2170.900000112.5E568 G572E568-G570 VanDerWaalsContact C-N 3.35Å; E568-G570 PolarHBondContact O-N 3.27Å; G570-G572 PolarHBondContact O-N 3.38Å
571S30.1Very low33.1Very low126 Ų126137 Ų13788%0.88180%0.796SS**  trans-76.485-171.5-161.60000113.4A569A569-S571 PolarHBondContact O-N 3.45Å
572G30.2Very low33.8Very low75 Ų75133.1 Ų133.177%0.77380%0.796SS**  trans-99.268.2177.500000113.9G570 I574G570-G572 PolarHBondContact O-N 3.38Å; G572-I574 PolarHBondContact O-N 3.09Å
573G27.6Very low33.1Very low73 Ų73129 Ų12975%0.75379%0.789SS**  trans-80.4115.7-173.100000115.9
574I31Very low32.6Very low169 Ų169133.3 Ų133.387%0.86781%0.805SS**  trans-132.7121.7155.148.4167.6000112.3G572G572-I574 PolarHBondContact O-N 3.09Å
575S25.7Very low32.2Very low115 Ų115127.6 Ų127.680%0.80480%0.796SS**  trans-85.6164.2157.5-42.20000108.4
576I28.5Very low31.9Very low155 Ų155130.6 Ų130.680%0.79581%0.805SS**  cis-148.1158.611.4-14.7172000105
577T28.3Very low31.5Very low122 Ų122125.3 Ų125.375%0.74880%0.796SS**  -176.7149.677.145.50000112.5
578S25.2Very low31.2Very low109 Ų109129.9 Ų129.976%0.76281%0.806SS**  trans-28147.7157.956.60000119
579S25.5Very low30.9Very low117 Ų117123.2 Ų123.282%0.81879%0.79SS**  177.9149.891.1-168.50000112.9
580C26.6Very low30.6Very low101 Ų101126.4 Ų126.468%0.68280%0.801SS**  trans-99.5176.7173.8-55.40000112.6
581Y31.3Very low30.5Very low231 Ų231127.4 Ų127.491%0.90680%0.801SS**  trans83.8153.4162.5-67.2-58.2000119.2
582P56.4Low30.6Very low126 Ų126127.7 Ų127.782%0.81880%0.798SS**  trans-129.3-168.9-140.742.7-24.9000113.7
583G27.4Very low30.7Very low63 Ų63131.3 Ų131.365%0.64980%0.804SS**  trans-166.4139.4166.300000113.7
584D29.8Very low30.7Very low175 Ų175131.5 Ų131.594%0.93681%0.807SS**  trans9.7148141.5-44.1-35.1000119.2
585G30Very low30.7Very low64 Ų64134.7 Ų134.766%0.6681%0.808SS**  cis142.1157.49.700000110.7
586E33.1Very low32.2Very low195 Ų195133.5 Ų133.591%0.91180%0.798SS**  trans64.8128.9177.5-49.4-170.5123.100116.3
587A35.1Very low32.3Very low87 Ų87137.7 Ų137.772%0.71980%0.803SS**  cis104.986.513.900000116.8
588W30.6Very low32.4Very low260 Ų260135.2 Ų135.299%0.98580%0.802SS**  trans-146.5147.1149.7-64.490.4000108
589G29.4Very low33.8Very low57 Ų57136 Ų13659%0.58880%0.804SS**  cis128.298.7-4.400000113.3
590T29.8Very low34.8Very low160 Ų160135.2 Ų135.298%0.98280%0.796SS**  trans-179.8157.2144.619.20000112.6
591A30.1Very low35Very low95 Ų95139 Ų13979%0.78580%0.801SS**  trans-154147.2177.400000112.8
592T31.2Very low34.9Very low132 Ų132132 Ų13281%0.8179%0.791SS**  trans-156117.8163.341.10000108.9
593V32.7Very low33.6Very low151 Ų151132.7 Ų132.792%0.91579%0.787SS**  74.6116.178.4172.50000114.3
594G26.9Very low33.7Very low78 Ų78135.8 Ų135.880%0.80480%0.8SS**  trans166.7110.7168.200000117.5
595R32.3Very low33.6Very low236 Ų236130.9 Ų130.989%0.89179%0.79SS**  trans-148.9-179.3167.8-125.1-160.3172.8-128.7-1.9106.9
596P55.6Low34.3Very low90 Ų90134.1 Ų134.158%0.58480%0.8SS**  cis-141.9-165.33.432.3-6.3000116.5
597R31.6Very low34.4Very low243 Ų243133.4 Ų133.492%0.91779%0.794SS**  trans85.8145.4163.2-48.6-179.3-172.8-1531.1116.6
598G29.8Very low34.9Very low69 Ų69135.4 Ų135.471%0.71180%0.799SS**  cis-169.4150.9-600000115.1
599P54.4Low34.7Very low125 Ų125132.7 Ų132.781%0.81279%0.79SS**  trans-100.2-159.1179.144.8-39.7000111.7
600P46Very low35.6Very low101 Ų101135.5 Ų135.566%0.65680%0.798SS**  cis-147.1-165.33.844-22.4000118.1
601K31.6Very low35.3Very low182 Ų182138.1 Ų138.179%0.79179%0.79SS**  trans86.2155.4154-73.8169.1-174.5177.70119.7
602A30Very low35.3Very low82 Ų82140.5 Ų140.568%0.67879%0.789SS**  cis-147139.53.900000111.5
603N28Very low35.9Very low141 Ų141140 Ų14075%0.75479%0.788SS**  78.9108.282.3-65.713.9000117.5
604S30Very low35.7Very low129 Ų129136.8 Ų136.890%0.90278%0.777SS**  trans176.2159.6133.9420000113.1
605G28.2Very low35.6Very low72 Ų72144 Ų14474%0.74278%0.78SS**  trans-135.2-158.2169.500000110.1
606P45Very low35.4Very low132 Ų132138.4 Ų138.486%0.85776%0.764SS**  cis-129.7-165.75.642.8-25.6000114.3
607K34.3Very low34.2Very low180 Ų180142.8 Ų142.878%0.78377%0.774SS**  trans-83.1157.3169.9-62.6-176.4177.8-178.60112
608P45.2Very low33.9Very low128 Ų128135.1 Ų135.183%0.83177%0.771SS**  -145.4-178.897.838.3-21.7000116.5
609Y27.5Very low33.7Very low203 Ų203140.6 Ų140.680%0.79678%0.778SS**  trans-78-179.1174.7-76.4-85.2000112.7
610P46.6Very low33.4Very low117 Ų117139.4 Ų139.476%0.7677%0.77SS**  cis-144.3168.414.943.6-23.7000120.9
611R24.7Very low32.7Very low215 Ų215140.7 Ų140.781%0.81177%0.767SS**  trans27131.7146.7-75.1-168.5179.3-85.33.7124.7
612L28.8Very low32.6Very low144 Ų144139.7 Ų139.775%0.75476%0.759SS**  trans69.3165.7138.1-64.6174.2000118.4
613P43.7Very low32.7Very low122 Ų122145.8 Ų145.879%0.79276%0.764SS**  cis-121.4-154-0.143.7-28.7000114
614A28.7Very low32.8Very low84 Ų84142.6 Ų142.669%0.69476%0.764SS**  trans-115.9-168.7179.900000112.8
615W26Very low33Very low230 Ų230147.5 Ų147.587%0.87176%0.763SS**  trans73155.8177129.3-61.3000115.7
616E28.1Very low33.2Very low117 Ų117149 Ų14955%0.54776%0.762SS.*  cis-166.7169.3-33.3-146.2-167.912000109.7
617K29.2Very low33Very low182 Ų182146.9 Ų146.979%0.79176%0.756SS**  trans35.1120.7161.4-76.3171.9-175.8-63.40120.6
618G25.7Very low33Very low83 Ų83145.5 Ų145.586%0.85676%0.763SS**  trans-176.2103.4160.400000115.5
619E25.9Very low32.4Very low183 Ų183142.8 Ų142.886%0.85576%0.757SS**  trans-89173.7161.1-115.3-145.8122.300109.9
620P48Very low32.5Very low100 Ų100145.2 Ų145.265%0.64977%0.765SS**  cis-141-179.48.339.9-19.9000117.6
621E31Very low31.8Very low128 Ų128143.6 Ų143.660%0.59876%0.762SS**  trans78150.5138.2-103.9-13396.200125.8
622R30.9Very low32Very low161 Ų161143.5 Ų143.561%0.60877%0.767SS**  trans80.896.5155.9-67-156.7-165.6-54.7-11.9124.4
623R31.8Very low32.1Very low211 Ų211143.9 Ų143.980%0.79677%0.765SS**  68.1114.5105.5-174.4-157.8-63.6-105.25.4120.5
624G29.7Very low32.1Very low73 Ų73143.7 Ų143.775%0.75376%0.764SS**  trans-176.874.9163.400000122.9
625R33.2Very low32Very low232 Ų232146.2 Ų146.288%0.87577%0.765SS**  trans50110.7143.6-62.5-179-176.2-87.64.3123.3
626S34.3Very low32.1Very low104 Ų104140.3 Ų140.373%0.72776%0.759SS**  24.9147.9111.761.80000121.9
627A39.7Very low32Very low87 Ų87145.9 Ų145.972%0.71978%0.775SS**  cis-176.7170.9-200000112.7
628T34.7Very low31.9Very low152 Ų152141.3 Ų141.393%0.93377%0.771SS**  169.6162.6129.330.40000111.8
629G32.3Very low32Very low70 Ų70143 Ų14372%0.72277%0.765SS**  cis176.3-7.4-8.100000121
630R29.3Very low32.2Very low254 Ų254142.9 Ų142.996%0.95877%0.765SS**  trans-154.2157.4179.4-89.2-167.3172.3-158.90.1114.3
631A31.6Very low31.5Very low84 Ų84145.1 Ų145.169%0.69478%0.776SS**  cis-177.5145.4-34.900000112.1
632K30.4Very low31.4Very low212 Ų212142.6 Ų142.692%0.92279%0.785SS**  trans84.3133.8165.2-64.9-164.2172.7-168.40120.7
633E30.6Very low31.5Very low152 Ų152144.2 Ų144.271%0.7180%0.799SS**  trans-101.3173.7165-154-157105.600108.9L635E633-L635 PolarHBondContact OE1-N 2.87Å
634P43Very low31.5Very low119 Ų119138.4 Ų138.477%0.77380%0.796SS**  -153.7143.184.538.7-18.7000119
635L26.5Very low31.7Very low136 Ų136147.2 Ų147.271%0.71281%0.807SS**  56.9105129-16070.7000123.6E633E633-L635 PolarHBondContact OE1-N 2.87Å
636S28.4Very low31.6Very low106 Ų106140 Ų14074%0.74181%0.805SS**  14.4146.6128.7-42.30000124.8
637R27Very low31.6Very low235 Ų235143.4 Ų143.489%0.88781%0.809SS**  trans-156.9109.6143.7-174.1162.9-75.2-129.9-6.5109.1
638A26Very low31.2Very low85 Ų85146.4 Ų146.470%0.70281%0.813SS**  69.5152.596.200000114
639T28.4Very low31.2Very low119 Ų119142 Ų14273%0.7380%0.798SS**  cis-150.6121.823.5-53.40000107.3
640E29.4Very low31.3Very low181 Ų181145.3 Ų145.385%0.84681%0.81SS**  74.2135.179.7-149.8170.7-151.400115
641T34Very low31.5Very low146 Ų146136.5 Ų136.590%0.89680%0.799SS**  trans-85.2174.3-176.144.50000112.7
642G28.7Very low31.6Very low75 Ų75143.6 Ų143.677%0.77381%0.807SS**  trans-154.7133.1174.300000115.5
643E32.6Very low31.7Very low196 Ų196145 Ų14592%0.91681%0.807SS**  trans-152162.9158.4-99.7-149.595.600110.8
644A32.4Very low31.7Very low89 Ų89141 Ų14174%0.73681%0.806SS**  trans55.378.5160.300000121
645R33.3Very low31.8Very low257 Ų257140.9 Ų140.997%0.9781%0.806SS**  36.8110117.3-167.8-173.9-163.4-178.46.2119.2
646G31.3Very low32.2Very low81 Ų81141.9 Ų141.984%0.83581%0.806SS**  trans-169156.2165.100000113.1
647Q33.5Very low32.4Very low176 Ų176145.3 Ų145.382%0.82281%0.808SS**  trans-129.2145.9-168.9-137.7176.1-10.700112.8
648D32.9Very low32.8Very low150 Ų150146.2 Ų146.280%0.80281%0.811SS**  trans58.7153.9163-53.3-26.6000119.5
649G34.1Very low33Very low60 Ų60145.7 Ų145.762%0.61981%0.814SS**  cis173.6129.8-9.900000113.9
650S34.6Very low33.3Very low138 Ų138147 Ų14797%0.96582%0.822SS**  trans67.5173.2172.885.60000118
651G33Very low33.7Very low70 Ų70149 Ų14972%0.72282%0.822SS**  trans173.9-85.9175.200000119.1
652R34.2Very low33.5Very low232 Ų232148.9 Ų148.988%0.87582%0.82SS**  trans5595.7-173.1-75.4180160.4-100.45.1117.7
653R32.7Very low33.5Very low243 Ų243152.4 Ų152.492%0.91782%0.82SS**  166149.6118.2-95.7172.9-86-1461.3113.3
654G29.4Very low33.4Very low67 Ų67154 Ų15469%0.69182%0.818SS**  trans-106.5-156.3157.300000110.7
655P45.8Very low33.4Very low117 Ų117155.4 Ų155.476%0.7682%0.82SS**  cis-145.2-178.28.344-25.3000117.3
656Q34Very low33Very low156 Ų156148.7 Ų148.773%0.72981%0.812SS**  trans67.5106.7144.3-73.7-110.2-12.900122
657K34.2Very low33.2Very low178 Ų178151 Ų15177%0.77481%0.81SS**  152.5121.1105.1-91.9160.5-178.1178.30117.7
658R34.7Very low33.1Very low254 Ų254146.8 Ų146.896%0.95881%0.805SS**  trans52.5129.4137.6-76.2-169.6169.7-155.9-2.1123.5
659G30.4Very low33Very low74 Ų74148.7 Ų148.776%0.76381%0.81SS**  trans126134.9155.100000111.7
660V35Very low33Very low146 Ų146153.9 Ų153.989%0.88582%0.822SS**  cis-142.8160.6-7.5173.40000107.3
661R36.3Very low32.9Very low224 Ų224153.4 Ų153.485%0.84581%0.813SS**  trans-95137.8174.3-69.3-175.4-176.3-119.16112.2
662V30.7Very low32.8Very low143 Ų143155.8 Ų155.887%0.86782%0.816SS**  trans-135152.9147.8-1790000107.4
663L28.7Very low32.5Very low149 Ų149149.1 Ų149.178%0.7881%0.811SS**PPolyproline II helixtrans-88151.4-170.1-102.760.6000114.2
664R30.3Very low32.8Very low230 Ų230145.9 Ų145.987%0.86880%0.799SS**PPolyproline II helixtrans-90.1143.5160.1-93.7-87.6-175.6145-2.1109.5
665P31.7Very low32.8Very low118 Ų118146 Ų14677%0.76679%0.789SS**PPolyproline II helixtrans-63.7152.6152.5-17.232.2000110.7
666S26.5Very low32.4Very low117 Ų117145.7 Ų145.782%0.81879%0.787SS**PPolyproline II helixtrans-84154-177.4-172.50000112.8
667T35.3Very low32.4Very low129 Ų129141.9 Ų141.979%0.79178%0.777SS**PPolyproline II helixtrans-52.4142.2159.9-51.10000111.6
668A31.3Very low32.9Very low87 Ų87138.4 Ų138.472%0.71976%0.764SS**  trans-125.1168.6152.800000108
669E30.6Very low33.3Very low190 Ų190131.2 Ų131.289%0.88875%0.748SS**  trans-64.4155-158.5-75.6153.493.400117.2
670L34.1Very low34.1Very low170 Ų170134.1 Ų134.189%0.8975%0.745SS**  trans-88.5105.5172.9-70.1167.5000109.9
671V31.2Very low34.9Very low127 Ų127129.7 Ų129.777%0.7773%0.725SS**  trans-80.9136.9152.8-179.50000107.4A673V671-A673 PolarHBondContact O-N 2.9Å; V671-A673 VanDerWaalsContact O-N 3.09Å
672P31.8Very low35.8Very low120 Ų120121.3 Ų121.378%0.77969%0.693SS**  trans-61113.1172-21.633.5000110.1R674P672-R674 PolarHBondContact O-N 3.38Å
673A28.1Very low37Very low93 Ų93121.3 Ų121.377%0.76968%0.684SS**PPolyproline II helixtrans-66.6125.5174.800000109.7V671 S675V671-A673 PolarHBondContact O-N 2.9Å; V671-A673 VanDerWaalsContact O-N 3.09Å; A673-S675 PolarHBondContact O-N 3.35Å
674R38.5Very low38.4Very low175 Ų175123 Ų12366%0.6669%0.688SS**PPolyproline II helixtrans-48.7130.2161.3-82.2176162.6160.9-13.6107.8P672 E709 E710P672-R674 PolarHBondContact O-N 3.38Å; R674-E709 IonicContact CZ-OE1 3.47Å; R674-E709 IonicContact NH1-OE1 2.76Å; R674-E709 PolarHBondContact NH1-OE1 3.01Å; R674-E709 IonicContact NH2-OE1 3.35Å; R674-E710 IonicContact CZ-OE1 3.32Å; R674-E710 VanDerWaalsContact CZ-OE1 3.31Å; R674-E710 IonicContact NH1-OE1 2.69Å; R674-E710 PolarHBondContact NH1-OE1 2.68Å; R674-E710 IonicContact NH2-OE1 2.74Å; R674-E710 PolarHBondContact NH2-OE1 3.42Å
675S29.7Very low40.6Very low70 Ų70115.5 Ų115.549%0.4966%0.664SS.*PPolyproline II helixtrans-65.9141-167.558.90000111.8A673 S677A673-S675 PolarHBondContact O-N 3.35Å; S675-S677 WeakPolarHBondContact CB-OG 3.16Å; S675-S677 PolarHBondContact O-N 3.04Å; S675-S677 PolarHBondContact OG-OG 2.85Å
676P37.3Very low42.8Very low109 Ų109113.9 Ų113.971%0.70865%0.654SS**THydrogen-bonded Turntrans-75.333.9-179.434.8-38.7000113.3
677S34.6Very low45.8Very low77 Ų77111.4 Ų111.454%0.53863%0.633SS.*THydrogen-bonded Turntrans-80-38.8-171.4-52.50000111.9S675S675-S677 WeakPolarHBondContact CB-OG 3.16Å; S675-S677 PolarHBondContact O-N 3.04Å; S675-S677 PolarHBondContact OG-OG 2.85Å
678E43.4Very low48.5Very low105 Ų105107.6 Ų107.649%0.49160%0.604SS.*G310 helixtrans-72-36.3-174.9-70.5163.8100.500112.3L680 A681 Y682E678-L680 PolarHBondContact O-N 3.15Å; E678-A681 WeakPolarHBondContact O-CB 3.29Å; E678-A681 PolarHBondContact O-N 2.98Å; E678-Y682 HydrophobicContact CB-CE2 4.19Å; E678-Y682 WeakPolarHBondContact O-CD2 3.43Å; E678-Y682 WeakPolarHBondContact O-CE2 3.48Å
679T43.1Very low51.5Low103 Ų103103.6 Ų103.663%0.63257%0.571SS**G310 helixtrans-60.7-16.4-177.1-32.10000113.8
680L47Very low54.5Low134 Ų13494.7 Ų94.770%0.70253%0.529SS*.G310 helixtrans-91.9-16.1174.9-68.3176.6000114.1E678E678-L680 PolarHBondContact O-N 3.15Å
681A53.9Low57.5Low54 Ų5486.8 Ų86.845%0.44649%0.488SS..THydrogen-bonded Turntrans-68.9-45.6179.200000111.8E678 Q683 L685E678-A681 WeakPolarHBondContact O-CB 3.29Å; E678-A681 PolarHBondContact O-N 2.98Å; A681-Q683 PolarHBondContact O-N 3.07Å; A681-Q683 VanDerWaalsContact O-N 3.14Å; A681-L685 WeakPolarHBondContact O-CD1 3.19Å
682Y55Low60.5Low48 Ų4880.9 Ų80.919%0.18845%0.452CS..G310 helixtrans-69.5-12.3-174.3-51.1-73.6000114.7E678 H684 L685 F723 Q733E678-Y682 HydrophobicContact CB-CE2 4.19Å; E678-Y682 WeakPolarHBondContact O-CD2 3.43Å; E678-Y682 WeakPolarHBondContact O-CE2 3.48Å; Y682-H684 PolarHBondContact O-N 2.79Å; Y682-L685 HydrophobicContact CD1-CD1 4.39Å; Y682-L685 PolarHBondContact O-N 2.68Å; Y682-F723 HydrophobicContact CD1-CB 3.98Å; Y682-F723 HydrophobicContact CG-CB 4.44Å; Y682-Q733 HydrophobicContact CE1-CB 4.4Å; Y682-Q733 HydrophobicContact CE1-CG 4.16Å; Y682-Q733 VanDerWaalsContact OH-CD 3.23Å; Y682-Q733 PolarHBondContact OH-NE2 3.33Å; Y682-Q733 PolarHBondContact OH-OE1 3.01Å
683Q55.6Low63.5Low143 Ų14376.6 Ų76.667%0.66842%0.423SS*.G310 helixtrans-65.3-10.7-176.9-64.7-71.288.200114.3A681A681-Q683 PolarHBondContact O-N 3.07Å; A681-Q683 VanDerWaalsContact O-N 3.14Å
684H58.3Low66.6Low185 Ų18574.8 Ų74.886%0.85640%0.398SS*.G310 helixtrans-121.7-3.2178.9-91-74.6000115.1Y682Y682-H684 PolarHBondContact O-N 2.79Å
685L74.8Confident69.3Low71 Ų7170.7 Ų70.737%0.37239%0.389SS..SBendtrans-78.8152.5175.9-77.198.8000111.4A681 Y682 V687 F723A681-L685 WeakPolarHBondContact O-CD1 3.19Å; Y682-L685 HydrophobicContact CD1-CD1 4.39Å; Y682-L685 PolarHBondContact O-N 2.68Å; L685-V687 PolarHBondContact O-N 3.17Å; L685-F723 HydrophobicContact CB-CB 4.5Å
686P79.8Confident72.4Confident85 Ų8568 Ų6855%0.55237%0.368SS*.  trans-63.8121.4175.926.5-33.9000110.4R688 G724P686-R688 PolarHBondContact O-N 2.9Å; P686-G724 PolarHBondContact O-N 3.41Å
687V88.4Confident75.1Confident64 Ų6466 Ų6639%0.38835%0.351SS..EExtended strand (participates in β ladder)trans-80.2106.4174.3-172.10000109.3L685 K721 V722 F723L685-V687 PolarHBondContact O-N 3.17Å; V687-K721 HydrophobicContact CG1-CB 4.05Å; V687-K721 HydrophobicContact CG1-CG 4.22Å; V687-V722 WeakPolarHBondContact CA-O 3.06Å; V687-F723 HydrophobicContact CG1-CE1 4.35Å; V687-F723 HydrophobicContact CG2-CD1 3.9Å; V687-F723 HydrophobicContact CG2-CE1 3.87Å
688R91.9Very high77.9Confident50 Ų5062.4 Ų62.419%0.18933%0.327CS..EExtended strand (participates in β ladder)trans-90.7156.2174.3-64.4158.778.1170.611.3109.7P686 F690 V722 G724 D725 E750P686-R688 PolarHBondContact O-N 2.9Å; R688-F690 HydrophobicContact CB-CD2 4.13Å; R688-F690 HydrophobicContact CB-CE2 3.73Å; R688-V722 HydrophobicContact CB-CB 4.34Å; R688-V722 PolarHBondContact N-O 3.15Å; R688-V722 PolarHBondContact O-N 2.72Å; R688-G724 VanDerWaalsContact CD-O 3.22Å; R688-G724 WeakPolarHBondContact CD-O 3.35Å; R688-G724 PolarHBondContact NH1-O 2.77Å; R688-D725 IonicContact CZ-OD1 3.29Å; R688-D725 IonicContact NH1-OD1 3.97Å; R688-D725 PolarHBondContact NH1-OD1 2.83Å; R688-E750 WeakPolarHBondContact CB-OE1 3.21Å; R688-E750 WeakPolarHBondContact CG-OE1 3.27Å; R688-E750 IonicContact CZ-OE1 3.55Å; R688-E750 IonicContact CZ-OE2 3.94Å; R688-E750 IonicContact NE-OE1 2.75Å; R688-E750 PolarHBondContact NE-OE1 3.36Å; R688-E750 IonicContact NE-OE2 3.46Å; R688-E750 PolarHBondContact NE-OE2 2.78Å; R688-E750 IonicContact NH2-OE1 2.73Å; R688-E750 IonicContact NH2-OE2 2.63Å; R688-E750 PolarHBondContact NH2-OE2 2.78Å
689I93.7Very high80.1Confident3 Ų363 Ų632%0.01534%0.337CS..EExtended strand (participates in β ladder)trans-110125.7177.9-55.1-59.3000108.1I719 V751 R759 L762 L763I689-I719 HydrophobicContact CG2-CG2 3.77Å; I689-V751 HydrophobicContact CG2-CB 4.32Å; I689-V751 PolarHBondContact O-N 2.87Å; I689-R759 HydrophobicContact CD1-CB 4.26Å; I689-R759 HydrophobicContact CG1-CB 3.93Å; I689-R759 HydrophobicContact CG1-CG 3.74Å; I689-L762 HydrophobicContact CG2-CB 4.43Å; I689-L762 HydrophobicContact CG2-CD1 4.01Å; I689-L763 HydrophobicContact CD1-CD1 3.88Å; I689-L763 HydrophobicContact CD1-CD2 3.93Å; I689-L763 HydrophobicContact CD1-CG 3.85Å
690F95Very high82.5Confident2 Ų262 Ų621%0.00934%0.335CS..EExtended strand (participates in β ladder)trans-119.7153.4176.2-79.5-110.4000109.8R688 L720 V722 Y732 V748 A749 E750R688-F690 HydrophobicContact CB-CD2 4.13Å; R688-F690 HydrophobicContact CB-CE2 3.73Å; F690-L720 HydrophobicContact CB-CB 4.42Å; F690-L720 PolarHBondContact N-O 3.05Å; F690-L720 PolarHBondContact O-N 2.9Å; F690-V722 HydrophobicContact CB-CG2 4.23Å; F690-V722 HydrophobicContact CD2-CB 3.58Å; F690-V722 HydrophobicContact CD2-CG1 4.33Å; F690-V722 HydrophobicContact CD2-CG2 3.38Å; F690-V722 HydrophobicContact CE2-CB 3.67Å; F690-V722 HydrophobicContact CE2-CG1 3.92Å; F690-V722 HydrophobicContact CE2-CG2 3.79Å; F690-V722 HydrophobicContact CG-CB 4.49Å; F690-V722 HydrophobicContact CG-CG2 3.81Å; F690-Y732 HydrophobicContact CD1-CE2 4.49Å; F690-Y732 HydrophobicContact CE1-CD2 4.27Å; F690-Y732 AromaticContact CE1-CE2 3.68Å; F690-Y732 HydrophobicContact CE1-CE2 3.68Å; F690-Y732 AromaticContact CE1-CZ 3.87Å; F690-Y732 HydrophobicContact CZ-CE1 4.11Å; F690-Y732 HydrophobicContact CZ-CE2 4.02Å; F690-Y732 AromaticContact CZ-CZ 3.81Å; F690-V748 HydrophobicContact CB-CB 4.35Å; F690-V748 HydrophobicContact CD1-CB 3.95Å; F690-V748 HydrophobicContact CD1-CG2 3.65Å; F690-V748 HydrophobicContact CE1-CG2 4.19Å; F690-A749 CarbonylContact C-O 3.59Å; F690-A749 VanDerWaalsContact CA-O 3.25Å; F690-A749 WeakPolarHBondContact CA-O 3.25Å; F690-A749 VanDerWaalsContact CD1-C 3.41Å; F690-A749 WeakPolarHBondContact CD1-O 2.97Å; F690-E750 HydrophobicContact CD1-CB 4.17Å; F690-E750 HydrophobicContact CD2-CB 4.48Å; F690-E750 HydrophobicContact CD2-CG 4.48Å; F690-E750 HydrophobicContact CE1-CB 3.73Å; F690-E750 HydrophobicContact CE2-CB 4.07Å; F690-E750 HydrophobicContact CE2-CG 4.05Å; F690-E750 HydrophobicContact CZ-CB 3.69Å; F690-E750 HydrophobicContact CZ-CG 4.12Å
691V95.5Very high84.6Confident4 Ų459.7 Ų59.72%0.02432%0.321CS..EExtended strand (participates in β ladder)trans-113.8134.5168.464.20000108.6I719 V748 A749 V751 L768 L773V691-I719 HydrophobicContact CB-CD1 4.02Å; V691-I719 HydrophobicContact CG2-CD1 4.15Å; V691-V748 CarbonylContact O-C 3.59Å; V691-V748 WeakPolarHBondContact O-CA 3.42Å; V691-A749 HydrophobicContact CG1-CB 4.33Å; V691-A749 PolarHBondContact N-O 3.34Å; V691-A749 PolarHBondContact O-N 3.19Å; V691-V751 HydrophobicContact CB-CG2 3.81Å; V691-V751 HydrophobicContact CG1-CG2 3.67Å; V691-L768 HydrophobicContact CG2-CB 4.21Å; V691-L773 HydrophobicContact CG1-CD1 3.92Å
692A96.1Very high86.3Confident3 Ų358.1 Ų58.13%0.02531%0.307CS..EExtended strand (participates in β ladder)trans-69.6130.917200000110.7F714 R715 G717 Q718 L720A692-F714 HydrophobicContact CB-CD2 3.41Å; A692-F714 VanDerWaalsContact CB-CD2 3.41Å; A692-F714 HydrophobicContact CB-CE2 3.76Å; A692-F714 HydrophobicContact CB-CG 4.32Å; A692-R715 WeakPolarHBondContact CB-O 3.43Å; A692-G717 PolarHBondContact O-N 2.78Å; A692-Q718 HydrophobicContact CB-CB 4.46Å; A692-Q718 PolarHBondContact N-O 3.38Å; A692-L720 HydrophobicContact CB-CD1 4.32Å
693L93.8Very high87.8Confident31 Ų3160.3 Ų60.316%0.16233%0.327CS..SBendtrans-86.3-21.2176.6-62.8-179.5000112.5M747 A749L693-M747 PolarHBondContact N-O 2.99Å; L693-A749 HydrophobicContact CD1-CB 4.19Å; L693-A749 HydrophobicContact CD2-CB 3.89Å; L693-A749 HydrophobicContact CG-CB 4.14Å
694F93.1Very high89.2Confident54 Ų5457.1 Ų57.124%0.23731%0.314CS..SBendtrans-144.7163.5-176.6-53.4-69.9000110.6E716 M747F694-E716 PolarHBondContact O-N 2.84Å; F694-M747 HydrophobicContact CD2-SD 4.18Å
695D94.8Very high90.4Very high90 Ų9054.8 Ų54.848%0.48132%0.316SS..  trans-65.1138.9165.7-87.62.2000110.6M701 R715 E716D695-M701 WeakPolarHBondContact O-CE 3.47Å; D695-R715 WeakPolarHBondContact OD1-CA 3.31Å; D695-R715 WeakPolarHBondContact OD1-CB 3.13Å; D695-R715 WeakPolarHBondContact OD1-CG 3.48Å; D695-E716 PolarHBondContact OD1-N 3.41Å
696Y94.9Very high91Very high12 Ų1255.1 Ų55.15%0.04732%0.318CS..BIsolated β-bridgetrans-132.2116.6174-164-113.9000112.6P698 M701 E711 P713 F714 P744 M747Y696-P698 HydrophobicContact CD1-CG 4.07Å; Y696-P698 HydrophobicContact CE1-CB 4.18Å; Y696-P698 HydrophobicContact CE1-CG 3.77Å; Y696-M701 HydrophobicContact CD2-CE 4.13Å; Y696-M701 HydrophobicContact CE2-CB 4.06Å; Y696-E711 WeakPolarHBondContact CE1-OE2 3.42Å; Y696-E711 PolarHBondContact OH-OE2 2.96Å; Y696-P713 CarbonylContact O-C 3.48Å; Y696-P713 VanDerWaalsContact O-CA 3.22Å; Y696-P713 WeakPolarHBondContact O-CA 3.47Å; Y696-P713 WeakPolarHBondContact O-CB 3.45Å; Y696-F714 VanDerWaalsContact CB-CZ 3.44Å; Y696-F714 AromaticContact CD1-CE1 3.94Å; Y696-F714 HydrophobicContact CD1-CE1 3.94Å; Y696-F714 HydrophobicContact CD1-CZ 4.1Å; Y696-F714 HydrophobicContact CG-CE1 4.2Å; Y696-F714 HydrophobicContact CG-CE2 4.32Å; Y696-F714 AromaticContact CG-CZ 3.91Å; Y696-F714 HydrophobicContact CG-CZ 3.91Å; Y696-F714 PolarHBondContact N-O 3.4Å; Y696-F714 PolarHBondContact O-N 3.4Å; Y696-F714 VanDerWaalsContact O-O 3.07Å; Y696-P744 HydrophobicContact CD1-CG 4.32Å; Y696-P744 HydrophobicContact CE1-CG 3.74Å; Y696-P744 HydrophobicContact CE2-CG 4Å; Y696-M747 HydrophobicContact CD2-CE 3.95Å; Y696-M747 HydrophobicContact CD2-CG 4.19Å; Y696-M747 HydrophobicContact CD2-SD 4.39Å; Y696-M747 HydrophobicContact CE2-CE 3.96Å
697D94.7Very high91.5Very high67 Ų6751.2 Ų51.236%0.35829%0.293SS..  trans-117.9106.5169170.938.6000108.9V699 S700 M701D697-V699 PolarHBondContact O-N 2.89Å; D697-V699 PolarHBondContact OD1-N 2.94Å; D697-S700 PolarHBondContact O-N 2.89Å; D697-S700 PolarHBondContact O-OG 2.87Å; D697-S700 WeakPolarHBondContact OD2-CB 3.4Å; D697-S700 PolarHBondContact OD2-N 3.38Å; D697-S700 PolarHBondContact OD2-OG 3.41Å; D697-M701 HydrophobicContact CB-CE 4.4Å; D697-M701 VanDerWaalsContact N-CE 3.32Å; D697-M701 PolarHBondContact O-N 3.03Å
698P93.5Very high91.5Very high3 Ų350.3 Ų50.32%0.01930%0.297CS..Hα-helixtrans-58.3-31.4-178.5-21.529.5000113.1Y696 S700 S702 A707 E711 P713Y696-P698 HydrophobicContact CD1-CG 4.07Å; Y696-P698 HydrophobicContact CE1-CB 4.18Å; Y696-P698 HydrophobicContact CE1-CG 3.77Å; P698-S700 VanDerWaalsContact C-N 3.26Å; P698-S700 PolarHBondContact O-N 2.97Å; P698-S702 WeakPolarHBondContact O-CB 3.37Å; P698-S702 PolarHBondContact O-N 3.33Å; P698-A707 HydrophobicContact CB-CB 3.65Å; P698-A707 WeakPolarHBondContact CB-O 3.18Å; P698-E711 HydrophobicContact CB-CB 3.87Å; P698-E711 HydrophobicContact CG-CB 3.77Å; P698-P713 HydrophobicContact CG-CB 4.3Å
699V90.3Very high91.3Very high116 Ų11654.3 Ų54.370%0.70332%0.317SS*.Hα-helixtrans-69.2-23-175.8-175.80000112.6D697D697-V699 PolarHBondContact O-N 2.89Å; D697-V699 PolarHBondContact OD1-N 2.94Å
700S91.6Very high91.2Very high84 Ų8457.2 Ų57.259%0.58733%0.331SS*.Hα-helixtrans-114.7-16.1179.858.40000114.8D697 P698D697-S700 PolarHBondContact O-N 2.89Å; D697-S700 PolarHBondContact O-OG 2.87Å; D697-S700 WeakPolarHBondContact OD2-CB 3.4Å; D697-S700 PolarHBondContact OD2-N 3.38Å; D697-S700 PolarHBondContact OD2-OG 3.41Å; P698-S700 VanDerWaalsContact C-N 3.26Å; P698-S700 PolarHBondContact O-N 2.97Å
701M91.6Very high91.3Very high85 Ų8557.7 Ų57.742%0.41933%0.333SS..Hα-helixtrans-122-16.6-176.3-69.9-173.6-72.200115.9D695 Y696 D697D695-M701 WeakPolarHBondContact O-CE 3.47Å; Y696-M701 HydrophobicContact CD2-CE 4.13Å; Y696-M701 HydrophobicContact CE2-CB 4.06Å; D697-M701 HydrophobicContact CB-CE 4.4Å; D697-M701 VanDerWaalsContact N-CE 3.32Å; D697-M701 PolarHBondContact O-N 3.03Å
702S90.1Very high91.2Very high20 Ų2057.5 Ų57.514%0.1433%0.332CS..  trans-80.3144.6170.4-173.50000110.9P698 N704 A707 E711P698-S702 WeakPolarHBondContact O-CB 3.37Å; P698-S702 PolarHBondContact O-N 3.33Å; S702-N704 PolarHBondContact OG-N 3.39Å; S702-N704 VanDerWaalsContact OG-N 3.14Å; S702-N704 PolarHBondContact OG-ND2 3.05Å; S702-A707 WeakPolarHBondContact OG-CB 3.5Å; S702-E711 WeakPolarHBondContact CB-OE1 3.4Å; S702-E711 WeakPolarHBondContact CB-OE2 3.44Å; S702-E711 PolarHBondContact OG-OE1 3.01Å; S702-E711 PolarHBondContact OG-OE2 2.94Å
703P87.4Confident91.2Very high95 Ų9558.7 Ų58.762%0.61734%0.34SS*.SBendtrans-75.1-9.916733.1-36.7000113.4P796P703-P796 HydrophobicContact CG-CG 4.3Å
704N84.4Confident91.2Very high75 Ų7557.5 Ų57.540%0.40133%0.333SS..  trans-87.5132.8-174.1-53.3-41000111.1S702 D706 A707 E711S702-N704 PolarHBondContact OG-N 3.39Å; S702-N704 VanDerWaalsContact OG-N 3.14Å; S702-N704 PolarHBondContact OG-ND2 3.05Å; N704-D706 VanDerWaalsContact C-N 3.27Å; N704-D706 PolarHBondContact O-N 2.98Å; N704-A707 HydrophobicContact CB-CB 4.13Å; N704-A707 WeakPolarHBondContact O-CB 3.29Å; N704-A707 PolarHBondContact O-N 3.4Å; N704-E711 PolarHBondContact ND2-OE1 2.9Å
705P82.3Confident91.3Very high137 Ų13762.6 Ų62.689%0.8935%0.351SS*.THydrogen-bonded Turntrans-72.3-21-176.530.9-36.2000113.7
706D88.6Confident91.3Very high78 Ų7862.8 Ų62.842%0.41735%0.349SS..THydrogen-bonded Turntrans-98.1-0.41793811.4000113.1N704 G708 E709 E710N704-D706 VanDerWaalsContact C-N 3.27Å; N704-D706 PolarHBondContact O-N 2.98Å; D706-G708 PolarHBondContact O-N 2.88Å; D706-E709 HydrophobicContact CB-CG 4.45Å; D706-E709 VanDerWaalsContact O-CG 3.28Å; D706-E709 WeakPolarHBondContact O-CG 3.48Å; D706-E709 PolarHBondContact O-N 3.2Å; D706-E710 PolarHBondContact O-N 2.97Å
707A90Very high91.1Very high2 Ų262.3 Ų62.32%0.01735%0.348CS..Hα-helixtrans-50.9-34.6179.200000113.9P698 S702 N704 E709 E711P698-A707 HydrophobicContact CB-CB 3.65Å; P698-A707 WeakPolarHBondContact CB-O 3.18Å; S702-A707 WeakPolarHBondContact OG-CB 3.5Å; N704-A707 HydrophobicContact CB-CB 4.13Å; N704-A707 WeakPolarHBondContact O-CB 3.29Å; N704-A707 PolarHBondContact O-N 3.4Å; A707-E709 PolarHBondContact O-N 2.78Å; A707-E711 HydrophobicContact CB-CG 4.2Å; A707-E711 WeakPolarHBondContact CB-OE1 3.29Å; A707-E711 WeakPolarHBondContact O-CA 3.38Å; A707-E711 VanDerWaalsContact O-CB 3.32Å; A707-E711 WeakPolarHBondContact O-CB 3.1Å; A707-E711 PolarHBondContact O-N 3.15Å
708G87.3Confident91.1Very high46 Ų4660.6 Ų60.647%0.47434%0.337SS..Hα-helixtrans-66.3-14.1178.600000115.4D706D706-G708 PolarHBondContact O-N 2.88Å
709E89.1Confident91.2Very high133 Ų13360.9 Ų60.962%0.62134%0.339SS*.Hα-helixtrans-111.4-28.7172.862.8167.8-120.300114.6R674 D706 A707R674-E709 IonicContact CZ-OE1 3.47Å; R674-E709 IonicContact NH1-OE1 2.76Å; R674-E709 PolarHBondContact NH1-OE1 3.01Å; R674-E709 IonicContact NH2-OE1 3.35Å; D706-E709 HydrophobicContact CB-CG 4.45Å; D706-E709 VanDerWaalsContact O-CG 3.28Å; D706-E709 WeakPolarHBondContact O-CG 3.48Å; D706-E709 PolarHBondContact O-N 3.2Å; A707-E709 PolarHBondContact O-N 2.78Å
710E92Very high91.4Very high64 Ų6455.4 Ų55.430%0.29931%0.305SS..Hα-helixtrans-99.1-29.6-177.2-50.5-150.7163.300114.2R674 D706 G741 Y742R674-E710 IonicContact CZ-OE1 3.32Å; R674-E710 VanDerWaalsContact CZ-OE1 3.31Å; R674-E710 IonicContact NH1-OE1 2.69Å; R674-E710 PolarHBondContact NH1-OE1 2.68Å; R674-E710 IonicContact NH2-OE1 2.74Å; R674-E710 PolarHBondContact NH2-OE1 3.42Å; D706-E710 PolarHBondContact O-N 2.97Å; E710-G741 CarbonylContact O-C 3.53Å; E710-G741 VanDerWaalsContact O-CA 3.24Å; E710-G741 WeakPolarHBondContact O-CA 3.49Å; E710-Y742 HydrophobicContact CB-CD2 4.21Å; E710-Y742 HydrophobicContact CB-CE2 4.37Å; E710-Y742 VanDerWaalsContact O-CD2 3.32Å; E710-Y742 WeakPolarHBondContact O-CD2 3.49Å; E710-Y742 PolarHBondContact O-N 2.67Å
711E95.2Very high91.6Very high12 Ų1253.9 Ų53.96%0.05629%0.288CS..BIsolated β-bridgetrans-94.5150.7179.8-57.9174.8-150.500111.8Y696 P698 S702 N704 A707 P713Y696-E711 WeakPolarHBondContact CE1-OE2 3.42Å; Y696-E711 PolarHBondContact OH-OE2 2.96Å; P698-E711 HydrophobicContact CB-CB 3.87Å; P698-E711 HydrophobicContact CG-CB 3.77Å; S702-E711 WeakPolarHBondContact CB-OE1 3.4Å; S702-E711 WeakPolarHBondContact CB-OE2 3.44Å; S702-E711 PolarHBondContact OG-OE1 3.01Å; S702-E711 PolarHBondContact OG-OE2 2.94Å; N704-E711 PolarHBondContact ND2-OE1 2.9Å; A707-E711 HydrophobicContact CB-CG 4.2Å; A707-E711 WeakPolarHBondContact CB-OE1 3.29Å; A707-E711 WeakPolarHBondContact O-CA 3.38Å; A707-E711 VanDerWaalsContact O-CB 3.32Å; A707-E711 WeakPolarHBondContact O-CB 3.1Å; A707-E711 PolarHBondContact O-N 3.15Å; E711-P713 WeakPolarHBondContact O-CD 3.49Å
712L95.1Very high91.7Very high1 Ų149.8 Ų49.81%0.00527%0.268CS..  trans-92.6112.1-176.5-174.770.9000110.9F714 L720 R739 Y742 I743L712-F714 WeakPolarHBondContact O-CD1 3.18Å; L712-F714 WeakPolarHBondContact O-CE1 3.22Å; L712-L720 HydrophobicContact CD2-CD2 4.1Å; L712-R739 HydrophobicContact CD1-CB 3.68Å; L712-R739 WeakPolarHBondContact CD1-O 3.14Å; L712-Y742 PolarHBondContact N-O 3.37Å; L712-I743 HydrophobicContact CB-CG1 4Å; L712-I743 HydrophobicContact CD2-CD1 3.72Å; L712-I743 HydrophobicContact CD2-CG1 3.76Å; L712-I743 HydrophobicContact CG-CG1 4.5Å
713P94.4Very high91.9Very high28 Ų2850.1 Ų50.118%0.18227%0.267CS..  trans-71.4138.2167.726.9-34.5000112.1Y696 P698 E711 R739Y696-P713 CarbonylContact O-C 3.48Å; Y696-P713 VanDerWaalsContact O-CA 3.22Å; Y696-P713 WeakPolarHBondContact O-CA 3.47Å; Y696-P713 WeakPolarHBondContact O-CB 3.45Å; P698-P713 HydrophobicContact CG-CB 4.3Å; E711-P713 WeakPolarHBondContact O-CD 3.49Å; P713-R739 VanDerWaalsContact CG-CZ 3.42Å; P713-R739 VanDerWaalsContact CG-NH2 3.26Å
714F95.4Very high91.9Very high6 Ų645.7 Ų45.73%0.02624%0.238CC..BIsolated β-bridgetrans-149.1179.517851.6-101000111.1A692 Y696 L712 Q718 L720 I743 M747 V748A692-F714 HydrophobicContact CB-CD2 3.41Å; A692-F714 VanDerWaalsContact CB-CD2 3.41Å; A692-F714 HydrophobicContact CB-CE2 3.76Å; A692-F714 HydrophobicContact CB-CG 4.32Å; Y696-F714 VanDerWaalsContact CB-CZ 3.44Å; Y696-F714 AromaticContact CD1-CE1 3.94Å; Y696-F714 HydrophobicContact CD1-CE1 3.94Å; Y696-F714 HydrophobicContact CD1-CZ 4.1Å; Y696-F714 HydrophobicContact CG-CE1 4.2Å; Y696-F714 HydrophobicContact CG-CE2 4.32Å; Y696-F714 AromaticContact CG-CZ 3.91Å; Y696-F714 HydrophobicContact CG-CZ 3.91Å; Y696-F714 PolarHBondContact N-O 3.4Å; Y696-F714 PolarHBondContact O-N 3.4Å; Y696-F714 VanDerWaalsContact O-O 3.07Å; L712-F714 WeakPolarHBondContact O-CD1 3.18Å; L712-F714 WeakPolarHBondContact O-CE1 3.22Å; F714-Q718 HydrophobicContact CB-CB 4.49Å; F714-L720 HydrophobicContact CB-CD1 4.25Å; F714-L720 HydrophobicContact CB-CD2 3.91Å; F714-L720 HydrophobicContact CD1-CD1 3.78Å; F714-L720 HydrophobicContact CD1-CD2 4.47Å; F714-L720 HydrophobicContact CD2-CD1 4.24Å; F714-L720 HydrophobicContact CE1-CD1 4.18Å; F714-L720 HydrophobicContact CG-CD1 3.83Å; F714-L720 HydrophobicContact CG-CD2 4.37Å; F714-I743 HydrophobicContact CE1-CB 4.45Å; F714-I743 HydrophobicContact CE1-CG1 4.37Å; F714-I743 HydrophobicContact CE1-CG2 3.88Å; F714-I743 HydrophobicContact CZ-CG2 4.24Å; F714-M747 HydrophobicContact CE2-CB 3.93Å; F714-M747 HydrophobicContact CZ-CB 3.69Å; F714-M747 HydrophobicContact CZ-CG 4.46Å; F714-V748 HydrophobicContact CE2-CG1 4.19Å; F714-V748 HydrophobicContact CZ-CG1 3.97Å
715R94.3Very high92.2Very high161 Ų16147.6 Ų47.661%0.60825%0.248SC*.  trans-127.2154.9-179.3-69.3-172178-162.7-5.3112.8A692 D695 G717 Q718 Y767A692-R715 WeakPolarHBondContact CB-O 3.43Å; D695-R715 WeakPolarHBondContact OD1-CA 3.31Å; D695-R715 WeakPolarHBondContact OD1-CB 3.13Å; D695-R715 WeakPolarHBondContact OD1-CG 3.48Å; R715-G717 PolarHBondContact O-N 3.39Å; R715-Q718 WeakPolarHBondContact O-CB 3.38Å; R715-Q718 PolarHBondContact O-N 2.91Å; R715-Y767 HydrophobicContact CB-CE2 4.49Å; R715-Y767 WeakPolarHBondContact CB-OH 3.24Å
716E94.3Very high92.7Very high94 Ų9447.4 Ų47.444%0.43923%0.234SC..THydrogen-bonded Turntrans-51.2127174.9179.2-179.4156.300110.5F694 D695 Q718 Y767 P770F694-E716 PolarHBondContact O-N 2.84Å; D695-E716 PolarHBondContact OD1-N 3.41Å; E716-Q718 VanDerWaalsContact C-N 3.31Å; E716-Q718 PolarHBondContact O-N 2.99Å; E716-Y767 WeakPolarHBondContact O-CE1 3.38Å; E716-Y767 PolarHBondContact O-OH 3Å; E716-P770 HydrophobicContact CG-CG 4.39Å; E716-P770 WeakPolarHBondContact OE1-CG 3.48Å
717G92.3Very high92.8Very high2 Ų246.8 Ų46.82%0.02123%0.23CC..THydrogen-bonded Turntrans83-8.3-175.600000115.4A692 R715 Y767 L768A692-G717 PolarHBondContact O-N 2.78Å; R715-G717 PolarHBondContact O-N 3.39Å; G717-Y767 CarbonylContact O-C 3.6Å; G717-Y767 WeakPolarHBondContact O-CA 3.41Å; G717-Y767 WeakPolarHBondContact O-CD1 3.16Å; G717-L768 WeakPolarHBondContact CA-O 3.48Å; G717-L768 PolarHBondContact O-N 2.88Å
718Q94.4Very high92.8Very high30 Ų3051.7 Ų51.714%0.1427%0.271CS..BIsolated β-bridgetrans-64.4138.4177.7-173.6178.8-42.400111.3A692 F714 R715 E716 L720 Y767A692-Q718 HydrophobicContact CB-CB 4.46Å; A692-Q718 PolarHBondContact N-O 3.38Å; F714-Q718 HydrophobicContact CB-CB 4.49Å; R715-Q718 WeakPolarHBondContact O-CB 3.38Å; R715-Q718 PolarHBondContact O-N 2.91Å; E716-Q718 VanDerWaalsContact C-N 3.31Å; E716-Q718 PolarHBondContact O-N 2.99Å; Q718-L720 HydrophobicContact CG-CD2 4.18Å; Q718-Y767 HydrophobicContact CB-CD2 4.2Å; Q718-Y767 HydrophobicContact CB-CE2 3.84Å; Q718-Y767 HydrophobicContact CG-CD2 4.48Å; Q718-Y767 HydrophobicContact CG-CE2 4.36Å
719I94.8Very high92.8Very high10 Ų1056.2 Ų56.25%0.05128%0.284CS..EExtended strand (participates in β ladder)trans-87.8130.5175.2-62.9-67.6000110.6I689 V691 L762 L763 G766 L768I689-I719 HydrophobicContact CG2-CG2 3.77Å; V691-I719 HydrophobicContact CB-CD1 4.02Å; V691-I719 HydrophobicContact CG2-CD1 4.15Å; I719-L762 HydrophobicContact CG2-CB 4.41Å; I719-L763 HydrophobicContact CG2-CD2 4.08Å; I719-G766 PolarHBondContact N-O 3.35Å; I719-L768 HydrophobicContact CD1-CB 4.17Å; I719-L768 HydrophobicContact CD1-CD1 3.7Å; I719-L768 HydrophobicContact CD1-CG 3.72Å; I719-L768 HydrophobicContact CG1-CG 4.29Å
720L95Very high93Very high0 Ų050.7 Ų50.70%026%0.263CS..EExtended strand (participates in β ladder)trans-123142.8-174.9-56173.6000109.7F690 A692 L712 F714 Q718 I743 V748F690-L720 HydrophobicContact CB-CB 4.42Å; F690-L720 PolarHBondContact N-O 3.05Å; F690-L720 PolarHBondContact O-N 2.9Å; A692-L720 HydrophobicContact CB-CD1 4.32Å; L712-L720 HydrophobicContact CD2-CD2 4.1Å; F714-L720 HydrophobicContact CB-CD1 4.25Å; F714-L720 HydrophobicContact CB-CD2 3.91Å; F714-L720 HydrophobicContact CD1-CD1 3.78Å; F714-L720 HydrophobicContact CD1-CD2 4.47Å; F714-L720 HydrophobicContact CD2-CD1 4.24Å; F714-L720 HydrophobicContact CE1-CD1 4.18Å; F714-L720 HydrophobicContact CG-CD1 3.83Å; F714-L720 HydrophobicContact CG-CD2 4.37Å; Q718-L720 HydrophobicContact CG-CD2 4.18Å; L720-I743 HydrophobicContact CB-CD1 4.31Å; L720-I743 HydrophobicContact CD1-CD1 4.19Å; L720-I743 HydrophobicContact CD1-CG2 4.36Å; L720-V748 HydrophobicContact CD1-CG1 3.72Å
721K95.1Very high93.1Very high52 Ų5249.7 Ų49.723%0.22626%0.258CS..EExtended strand (participates in β ladder)trans-89.5132.2166.5-62.9157.8172.8172.90107.7V687 F723 G734 E735 L763V687-K721 HydrophobicContact CG1-CB 4.05Å; V687-K721 HydrophobicContact CG1-CG 4.22Å; K721-F723 HydrophobicContact CB-CE2 4.45Å; K721-F723 HydrophobicContact CB-CZ 4.18Å; K721-F723 HydrophobicContact CD-CZ 4.46Å; K721-G734 CarbonylContact O-C 3.54Å; K721-G734 WeakPolarHBondContact O-CA 3.44Å; K721-E735 HydrophobicContact CB-CB 4.3Å; K721-E735 HydrophobicContact CD-CB 4.03Å; K721-E735 HydrophobicContact CD-CG 4.33Å; K721-E735 WeakPolarHBondContact CD-OE2 3.22Å; K721-E735 PolarHBondContact N-O 2.9Å; K721-E735 IonicContact NZ-OE1 3.8Å; K721-E735 PolarHBondContact NZ-OE1 3.49Å; K721-E735 IonicContact NZ-OE2 3.49Å; K721-E735 PolarHBondContact NZ-OE2 2.91Å; K721-E735 PolarHBondContact O-N 3.43Å; K721-L763 HydrophobicContact CD-CD2 4.35Å; K721-L763 HydrophobicContact CG-CD2 3.62Å
722V94.9Very high93.2Very high0 Ų050.6 Ų50.60%026%0.261CS..EExtended strand (participates in β ladder)trans-114.7138.3169.6165.60000109V687 R688 F690 Y732 I743V687-V722 WeakPolarHBondContact CA-O 3.06Å; R688-V722 HydrophobicContact CB-CB 4.34Å; R688-V722 PolarHBondContact N-O 3.15Å; R688-V722 PolarHBondContact O-N 2.72Å; F690-V722 HydrophobicContact CB-CG2 4.23Å; F690-V722 HydrophobicContact CD2-CB 3.58Å; F690-V722 HydrophobicContact CD2-CG1 4.33Å; F690-V722 HydrophobicContact CD2-CG2 3.38Å; F690-V722 HydrophobicContact CE2-CB 3.67Å; F690-V722 HydrophobicContact CE2-CG1 3.92Å; F690-V722 HydrophobicContact CE2-CG2 3.79Å; F690-V722 HydrophobicContact CG-CB 4.49Å; F690-V722 HydrophobicContact CG-CG2 3.81Å; V722-Y732 HydrophobicContact CG1-CD1 3.75Å; V722-Y732 HydrophobicContact CG1-CG 3.97Å; V722-Y732 HydrophobicContact CG2-CG 4.31Å; V722-I743 HydrophobicContact CG2-CD1 4.19Å
723F93.1Very high93.1Very high27 Ų2752.4 Ų52.412%0.11827%0.27CS..EExtended strand (participates in β ladder)trans-109.6102.3-178.8-54.8-80.6000109.9Y682 L685 V687 K721 Q733 E735Y682-F723 HydrophobicContact CD1-CB 3.98Å; Y682-F723 HydrophobicContact CG-CB 4.44Å; L685-F723 HydrophobicContact CB-CB 4.5Å; V687-F723 HydrophobicContact CG1-CE1 4.35Å; V687-F723 HydrophobicContact CG2-CD1 3.9Å; V687-F723 HydrophobicContact CG2-CE1 3.87Å; K721-F723 HydrophobicContact CB-CE2 4.45Å; K721-F723 HydrophobicContact CB-CZ 4.18Å; K721-F723 HydrophobicContact CD-CZ 4.46Å; F723-Q733 PolarHBondContact N-O 3.39Å; F723-E735 HydrophobicContact CE2-CB 3.75Å; F723-E735 HydrophobicContact CZ-CB 3.99Å
724G88.8Confident93.1Very high1 Ų151.1 Ų51.11%0.0126%0.261CS..EExtended strand (participates in β ladder)trans85.4-136.3-178.300000113.7P686 R688P686-G724 PolarHBondContact O-N 3.41Å; R688-G724 VanDerWaalsContact CD-O 3.22Å; R688-G724 WeakPolarHBondContact CD-O 3.35Å; R688-G724 PolarHBondContact NH1-O 2.77Å
725D90.2Very high93.1Very high115 Ų11553.2 Ų53.262%0.61527%0.271SS*.EExtended strand (participates in β ladder)trans-120.9175.8-171.3-66.5-67.6000111.5R688R688-D725 IonicContact CZ-OD1 3.29Å; R688-D725 IonicContact NH1-OD1 3.97Å; R688-D725 PolarHBondContact NH1-OD1 2.83Å
726K91.9Very high92.9Very high134 Ų13445.8 Ų45.858%0.58325%0.245SC*.EExtended strand (participates in β ladder)trans-71.2145.8175.160.1178.8-179.2176.60110.9F731 Y732K726-F731 CarbonylContact C-O 3.57Å; K726-F731 VanDerWaalsContact CA-O 3.29Å; K726-F731 WeakPolarHBondContact CA-O 3.45Å; K726-Y732 HydrophobicContact CB-CD1 3.92Å; K726-Y732 HydrophobicContact CB-CE1 3.68Å; K726-Y732 HydrophobicContact CG-CE1 4.45Å
727D92Very high92.4Very high64 Ų6445.1 Ų45.134%0.34226%0.263SS..  trans-76.6-178.2168.36135.7000112.4D729 G730 F731D727-D729 PolarHBondContact O-N 3.01Å; D727-D729 WeakPolarHBondContact OD1-CA 3.28Å; D727-D729 PolarHBondContact OD1-N 2.86Å; D727-G730 PolarHBondContact O-N 2.93Å; D727-G730 PolarHBondContact OD1-N 2.68Å; D727-F731 VanDerWaalsContact CG-O 3.3Å; D727-F731 PolarHBondContact N-O 2.92Å; D727-F731 PolarHBondContact OD1-N 3.23Å; D727-F731 WeakPolarHBondContact OD2-CB 3.43Å
728A88.8Confident92.1Very high106 Ų10648.3 Ų48.388%0.87630%0.295SS*.THydrogen-bonded Turntrans-70.5-17.8-179.200000113.9
729D88.8Confident91.8Very high140 Ų14053.9 Ų53.975%0.74932%0.315SS*.THydrogen-bonded Turntrans-95.6-4.8179.2-66.3-74.1000112D727 F731D727-D729 PolarHBondContact O-N 3.01Å; D727-D729 WeakPolarHBondContact OD1-CA 3.28Å; D727-D729 PolarHBondContact OD1-N 2.86Å; D729-F731 HydrophobicContact CB-CD2 4.16Å; D729-F731 HydrophobicContact CB-CE2 4.45Å
730G92.8Very high91.7Very high18 Ų1857.7 Ų57.719%0.18634%0.339CS..SBendtrans91.721.7174.700000114.5D727 C745D727-G730 PolarHBondContact O-N 2.93Å; D727-G730 PolarHBondContact OD1-N 2.68Å; G730-C745 WeakPolarHBondContact O-CB 3.49Å; G730-C745 PolarHBondContact O-N 2.93Å; G730-C745 PolarHBondContact O-SG 3.17Å
731F94.6Very high91.7Very high43 Ų4358 Ų5819%0.18934%0.342CS..EExtended strand (participates in β ladder)trans-104.7145.3175.9-64.6-106.1000111.1K726 D727 D729 Y742 I743 P744K726-F731 CarbonylContact C-O 3.57Å; K726-F731 VanDerWaalsContact CA-O 3.29Å; K726-F731 WeakPolarHBondContact CA-O 3.45Å; D727-F731 VanDerWaalsContact CG-O 3.3Å; D727-F731 PolarHBondContact N-O 2.92Å; D727-F731 PolarHBondContact OD1-N 3.23Å; D727-F731 WeakPolarHBondContact OD2-CB 3.43Å; D729-F731 HydrophobicContact CB-CD2 4.16Å; D729-F731 HydrophobicContact CB-CE2 4.45Å; F731-Y742 HydrophobicContact CB-CD1 4.33Å; F731-I743 CarbonylContact C-O 3.52Å; F731-I743 WeakPolarHBondContact CA-O 3.39Å; F731-P744 HydrophobicContact CD1-CB 4.2Å; F731-P744 HydrophobicContact CD1-CG 4.14Å; F731-P744 HydrophobicContact CE1-CB 3.99Å; F731-P744 HydrophobicContact CE1-CG 3.8Å
732Y95.3Very high91.7Very high31 Ų3158.9 Ų58.912%0.12235%0.345CS..EExtended strand (participates in β ladder)trans-97.5142.4167-66.3-69.4000109.3F690 V722 K726 Y742 I743 C745 V748F690-Y732 HydrophobicContact CD1-CE2 4.49Å; F690-Y732 HydrophobicContact CE1-CD2 4.27Å; F690-Y732 AromaticContact CE1-CE2 3.68Å; F690-Y732 HydrophobicContact CE1-CE2 3.68Å; F690-Y732 AromaticContact CE1-CZ 3.87Å; F690-Y732 HydrophobicContact CZ-CE1 4.11Å; F690-Y732 HydrophobicContact CZ-CE2 4.02Å; F690-Y732 AromaticContact CZ-CZ 3.81Å; V722-Y732 HydrophobicContact CG1-CD1 3.75Å; V722-Y732 HydrophobicContact CG1-CG 3.97Å; V722-Y732 HydrophobicContact CG2-CG 4.31Å; K726-Y732 HydrophobicContact CB-CD1 3.92Å; K726-Y732 HydrophobicContact CB-CE1 3.68Å; K726-Y732 HydrophobicContact CG-CE1 4.45Å; Y732-Y742 CarbonylContact O-C 3.58Å; Y732-Y742 WeakPolarHBondContact O-CA 3.42Å; Y732-I743 PolarHBondContact N-O 2.88Å; Y732-I743 WeakPolarHBondContact O-CB 3.17Å; Y732-I743 PolarHBondContact O-N 2.67Å; Y732-C745 HydrophobicContact CD2-CB 3.86Å; Y732-C745 HydrophobicContact CE2-CB 3.4Å; Y732-V748 HydrophobicContact CD2-CG2 3.98Å; Y732-V748 HydrophobicContact CE2-CG2 4.09Å
733Q94.4Very high91.8Very high39 Ų3958.9 Ų58.918%0.18235%0.345CS..EExtended strand (participates in β ladder)trans-89128.7169.1-156.3155.815.100110.1Y682 F723 Y742Y682-Q733 HydrophobicContact CE1-CB 4.4Å; Y682-Q733 HydrophobicContact CE1-CG 4.16Å; Y682-Q733 VanDerWaalsContact OH-CD 3.23Å; Y682-Q733 PolarHBondContact OH-NE2 3.33Å; Y682-Q733 PolarHBondContact OH-OE1 3.01Å; F723-Q733 PolarHBondContact N-O 3.39Å; Q733-Y742 HydrophobicContact CG-CE1 4.39Å
734G94.6Very high91.9Very high0 Ų058.3 Ų58.30%034%0.344CS..EExtended strand (participates in β ladder)trans-157.2174.1-169.600000116.1K721 T740 G741K721-G734 CarbonylContact O-C 3.54Å; K721-G734 WeakPolarHBondContact O-CA 3.44Å; G734-T740 CarbonylContact O-C 3.58Å; G734-T740 VanDerWaalsContact O-CA 3.23Å; G734-T740 WeakPolarHBondContact O-CA 3.4Å; G734-T740 WeakPolarHBondContact O-CG2 3.39Å; G734-G741 PolarHBondContact N-O 3.41Å; G734-G741 PolarHBondContact O-N 2.8Å
735E94.8Very high92.1Very high51 Ų5159.8 Ų59.824%0.23835%0.353CS..EExtended strand (participates in β ladder)trans-129.4131.1-179.3-176.5-140.7129.800111.1K721 F723 R739K721-E735 HydrophobicContact CB-CB 4.3Å; K721-E735 HydrophobicContact CD-CB 4.03Å; K721-E735 HydrophobicContact CD-CG 4.33Å; K721-E735 WeakPolarHBondContact CD-OE2 3.22Å; K721-E735 PolarHBondContact N-O 2.9Å; K721-E735 IonicContact NZ-OE1 3.8Å; K721-E735 PolarHBondContact NZ-OE1 3.49Å; K721-E735 IonicContact NZ-OE2 3.49Å; K721-E735 PolarHBondContact NZ-OE2 2.91Å; K721-E735 PolarHBondContact O-N 3.43Å; F723-E735 HydrophobicContact CE2-CB 3.75Å; F723-E735 HydrophobicContact CZ-CB 3.99Å; E735-R739 CarbonylContact C-O 3.58Å; E735-R739 WeakPolarHBondContact CA-O 3.49Å; E735-R739 VanDerWaalsContact CG-O 3.27Å; E735-R739 WeakPolarHBondContact CG-O 3.49Å
736G91.1Very high92.3Very high5 Ų559.5 Ų59.55%0.05235%0.352CS..EExtended strand (participates in β ladder)trans-151.9139.2179.600000111.1G738 R739G736-G738 PolarHBondContact O-N 3.06Å; G736-R739 PolarHBondContact N-O 3.01Å; G736-R739 PolarHBondContact O-N 3.11Å
737G83.1Confident92.4Very high80 Ų8054 Ų5483%0.82533%0.329SS*.THydrogen-bonded Turntrans58.718.7-17900000115.3
738G84.9Confident92.6Very high68 Ų6851.2 Ų51.270%0.70131%0.313SS*.THydrogen-bonded Turntrans81.910.8-175.400000115.4G736G736-G738 PolarHBondContact O-N 3.06Å
739R89.3Confident92.8Very high148 Ų14846.3 Ų46.356%0.55827%0.273SS*.EExtended strand (participates in β ladder)trans-109.4155.6166.4-76.9-175.9-75.5-174.4-7.5110.5L712 P713 E735 G736L712-R739 HydrophobicContact CD1-CB 3.68Å; L712-R739 WeakPolarHBondContact CD1-O 3.14Å; P713-R739 VanDerWaalsContact CG-CZ 3.42Å; P713-R739 VanDerWaalsContact CG-NH2 3.26Å; E735-R739 CarbonylContact C-O 3.58Å; E735-R739 WeakPolarHBondContact CA-O 3.49Å; E735-R739 VanDerWaalsContact CG-O 3.27Å; E735-R739 WeakPolarHBondContact CG-O 3.49Å; G736-R739 PolarHBondContact N-O 3.01Å; G736-R739 PolarHBondContact O-N 3.11Å
740T93.1Very high93.1Very high90 Ų9041.7 Ų41.755%0.55225%0.247SC*.EExtended strand (participates in β ladder)trans-116.8142.6171.7-56.20000108.5G734G734-T740 CarbonylContact O-C 3.58Å; G734-T740 VanDerWaalsContact O-CA 3.23Å; G734-T740 WeakPolarHBondContact O-CA 3.4Å; G734-T740 WeakPolarHBondContact O-CG2 3.39Å
741G94.3Very high93Very high6 Ų641 Ų416%0.06224%0.239CC..EExtended strand (participates in β ladder)trans179.4-176.1179.100000111.9E710 G734E710-G741 CarbonylContact O-C 3.53Å; E710-G741 VanDerWaalsContact O-CA 3.24Å; E710-G741 WeakPolarHBondContact O-CA 3.49Å; G734-G741 PolarHBondContact N-O 3.41Å; G734-G741 PolarHBondContact O-N 2.8Å
742Y95.4Very high92.6Very high71 Ų7140 Ų4028%0.27824%0.239SC..EExtended strand (participates in β ladder)trans-78.3143.5175.6-61.7-71.7000112.4E710 L712 F731 Y732 Q733E710-Y742 HydrophobicContact CB-CD2 4.21Å; E710-Y742 HydrophobicContact CB-CE2 4.37Å; E710-Y742 VanDerWaalsContact O-CD2 3.32Å; E710-Y742 WeakPolarHBondContact O-CD2 3.49Å; E710-Y742 PolarHBondContact O-N 2.67Å; L712-Y742 PolarHBondContact N-O 3.37Å; F731-Y742 HydrophobicContact CB-CD1 4.33Å; Y732-Y742 CarbonylContact O-C 3.58Å; Y732-Y742 WeakPolarHBondContact O-CA 3.42Å; Q733-Y742 HydrophobicContact CG-CE1 4.39Å
743I96.4Very high92Very high0 Ų039.7 Ų39.70%024%0.24CC..EExtended strand (participates in β ladder)trans-126.1115.5-176.3-64.4170000107.5L712 F714 L720 V722 F731 Y732 C745 V748L712-I743 HydrophobicContact CB-CG1 4Å; L712-I743 HydrophobicContact CD2-CD1 3.72Å; L712-I743 HydrophobicContact CD2-CG1 3.76Å; L712-I743 HydrophobicContact CG-CG1 4.5Å; F714-I743 HydrophobicContact CE1-CB 4.45Å; F714-I743 HydrophobicContact CE1-CG1 4.37Å; F714-I743 HydrophobicContact CE1-CG2 3.88Å; F714-I743 HydrophobicContact CZ-CG2 4.24Å; L720-I743 HydrophobicContact CB-CD1 4.31Å; L720-I743 HydrophobicContact CD1-CD1 4.19Å; L720-I743 HydrophobicContact CD1-CG2 4.36Å; V722-I743 HydrophobicContact CG2-CD1 4.19Å; F731-I743 CarbonylContact C-O 3.52Å; F731-I743 WeakPolarHBondContact CA-O 3.39Å; Y732-I743 PolarHBondContact N-O 2.88Å; Y732-I743 WeakPolarHBondContact O-CB 3.17Å; Y732-I743 PolarHBondContact O-N 2.67Å; I743-C745 PolarHBondContact O-N 3.18Å; I743-V748 HydrophobicContact CG2-CB 4.32Å; I743-V748 HydrophobicContact CG2-CG1 3.49Å; I743-V748 VanDerWaalsContact CG2-CG1 3.49Å; I743-V748 HydrophobicContact CG2-CG2 3.83Å
744P94.9Very high91.2Very high15 Ų1545.4 Ų45.410%0.09727%0.272CS..EExtended strand (participates in β ladder)trans-64.5127.7178.7-11.822.4000110.7Y696 F731 N746 M747Y696-P744 HydrophobicContact CD1-CG 4.32Å; Y696-P744 HydrophobicContact CE1-CG 3.74Å; Y696-P744 HydrophobicContact CE2-CG 4Å; F731-P744 HydrophobicContact CD1-CB 4.2Å; F731-P744 HydrophobicContact CD1-CG 4.14Å; F731-P744 HydrophobicContact CE1-CB 3.99Å; F731-P744 HydrophobicContact CE1-CG 3.8Å; P744-N746 PolarHBondContact O-N 3.08Å; P744-M747 HydrophobicContact CB-CG 3.96Å; P744-M747 HydrophobicContact CG-CG 4.14Å; P744-M747 PolarHBondContact O-N 3.38Å; P744-M747 VanDerWaalsContact O-N 3.09Å
745C94Very high90.8Very high31 Ų3148.2 Ų48.221%0.20929%0.292CS..G310 helixtrans-60.5-32.5-173.5660000113.8G730 Y732 I743 M747 V748G730-C745 WeakPolarHBondContact O-CB 3.49Å; G730-C745 PolarHBondContact O-N 2.93Å; G730-C745 PolarHBondContact O-SG 3.17Å; Y732-C745 HydrophobicContact CD2-CB 3.86Å; Y732-C745 HydrophobicContact CE2-CB 3.4Å; I743-C745 PolarHBondContact O-N 3.18Å; C745-M747 PolarHBondContact O-N 3.11Å; C745-M747 VanDerWaalsContact O-N 3.15Å; C745-V748 PolarHBondContact O-N 3.19Å; C745-V748 VanDerWaalsContact O-O 3.11Å
746N94.8Very high90.2Very high110 Ų11050 Ų5059%0.58831%0.308SS*.G310 helixtrans-66.6-12.6179.4-64.1-15.8000114.2P744P744-N746 PolarHBondContact O-N 3.08Å
747M94.2Very high89.9Confident19 Ų1952.9 Ų52.99%0.09433%0.331CS..G310 helixtrans-99.5-2.9-176.7-57.6-66.2-175.100113.1L693 F694 Y696 F714 P744 C745 P793L693-M747 PolarHBondContact N-O 2.99Å; F694-M747 HydrophobicContact CD2-SD 4.18Å; Y696-M747 HydrophobicContact CD2-CE 3.95Å; Y696-M747 HydrophobicContact CD2-CG 4.19Å; Y696-M747 HydrophobicContact CD2-SD 4.39Å; Y696-M747 HydrophobicContact CE2-CE 3.96Å; F714-M747 HydrophobicContact CE2-CB 3.93Å; F714-M747 HydrophobicContact CZ-CB 3.69Å; F714-M747 HydrophobicContact CZ-CG 4.46Å; P744-M747 HydrophobicContact CB-CG 3.96Å; P744-M747 HydrophobicContact CG-CG 4.14Å; P744-M747 PolarHBondContact O-N 3.38Å; P744-M747 VanDerWaalsContact O-N 3.09Å; C745-M747 PolarHBondContact O-N 3.11Å; C745-M747 VanDerWaalsContact O-N 3.15Å; M747-P793 HydrophobicContact CE-CB 3.6Å; M747-P793 HydrophobicContact CE-CG 3.75Å; M747-P793 HydrophobicContact SD-CB 3.94Å; M747-P793 HydrophobicContact SD-CG 4.18Å
748V94.7Very high90Very high4 Ų449.8 Ų49.82%0.02430%0.299CS..EExtended strand (participates in β ladder)trans-140.7147-169.5-61.90000112.2F690 V691 F714 L720 Y732 I743 C745F690-V748 HydrophobicContact CB-CB 4.35Å; F690-V748 HydrophobicContact CD1-CB 3.95Å; F690-V748 HydrophobicContact CD1-CG2 3.65Å; F690-V748 HydrophobicContact CE1-CG2 4.19Å; V691-V748 CarbonylContact O-C 3.59Å; V691-V748 WeakPolarHBondContact O-CA 3.42Å; F714-V748 HydrophobicContact CE2-CG1 4.19Å; F714-V748 HydrophobicContact CZ-CG1 3.97Å; L720-V748 HydrophobicContact CD1-CG1 3.72Å; Y732-V748 HydrophobicContact CD2-CG2 3.98Å; Y732-V748 HydrophobicContact CE2-CG2 4.09Å; I743-V748 HydrophobicContact CG2-CB 4.32Å; I743-V748 HydrophobicContact CG2-CG1 3.49Å; I743-V748 VanDerWaalsContact CG2-CG1 3.49Å; I743-V748 HydrophobicContact CG2-CG2 3.83Å; C745-V748 PolarHBondContact O-N 3.19Å; C745-V748 VanDerWaalsContact O-O 3.11Å
749A94.1Very high90.1Very high3 Ų350.9 Ų50.93%0.02528%0.282CS..EExtended strand (participates in β ladder)trans-118.5143.1173.100000111.3F690 V691 L693 V783F690-A749 CarbonylContact C-O 3.59Å; F690-A749 VanDerWaalsContact CA-O 3.25Å; F690-A749 WeakPolarHBondContact CA-O 3.25Å; F690-A749 VanDerWaalsContact CD1-C 3.41Å; F690-A749 WeakPolarHBondContact CD1-O 2.97Å; V691-A749 HydrophobicContact CG1-CB 4.33Å; V691-A749 PolarHBondContact N-O 3.34Å; V691-A749 PolarHBondContact O-N 3.19Å; L693-A749 HydrophobicContact CD1-CB 4.19Å; L693-A749 HydrophobicContact CD2-CB 3.89Å; L693-A749 HydrophobicContact CG-CB 4.14Å; A749-V783 HydrophobicContact CB-CG1 3.63Å
750E93.8Very high89.9Confident44 Ų4449.8 Ų49.821%0.20628%0.283CS..EExtended strand (participates in β ladder)trans-76128.2177.5-177.1161.2-150.600111.1R688 F690 V783 Y784R688-E750 WeakPolarHBondContact CB-OE1 3.21Å; R688-E750 WeakPolarHBondContact CG-OE1 3.27Å; R688-E750 IonicContact CZ-OE1 3.55Å; R688-E750 IonicContact CZ-OE2 3.94Å; R688-E750 IonicContact NE-OE1 2.75Å; R688-E750 PolarHBondContact NE-OE1 3.36Å; R688-E750 IonicContact NE-OE2 3.46Å; R688-E750 PolarHBondContact NE-OE2 2.78Å; R688-E750 IonicContact NH2-OE1 2.73Å; R688-E750 IonicContact NH2-OE2 2.63Å; R688-E750 PolarHBondContact NH2-OE2 2.78Å; F690-E750 HydrophobicContact CD1-CB 4.17Å; F690-E750 HydrophobicContact CD2-CB 4.48Å; F690-E750 HydrophobicContact CD2-CG 4.48Å; F690-E750 HydrophobicContact CE1-CB 3.73Å; F690-E750 HydrophobicContact CE2-CB 4.07Å; F690-E750 HydrophobicContact CE2-CG 4.05Å; F690-E750 HydrophobicContact CZ-CB 3.69Å; F690-E750 HydrophobicContact CZ-CG 4.12Å; E750-V783 WeakPolarHBondContact O-CA 3.42Å; E750-Y784 PolarHBondContact O-N 2.66Å
751V91.8Very high89.6Confident3 Ų350.3 Ų50.32%0.01828%0.279CS..EExtended strand (participates in β ladder)trans-98100175-172.30000108I689 V691 V753 L762 P781 V783I689-V751 HydrophobicContact CG2-CB 4.32Å; I689-V751 PolarHBondContact O-N 2.87Å; V691-V751 HydrophobicContact CB-CG2 3.81Å; V691-V751 HydrophobicContact CG1-CG2 3.67Å; V751-V753 HydrophobicContact CG1-CG2 3.92Å; V751-V753 PolarHBondContact O-N 3.15Å; V751-L762 HydrophobicContact CB-CD1 4.45Å; V751-L762 HydrophobicContact CG1-CD1 3.67Å; V751-P781 HydrophobicContact CG1-CB 3.71Å; V751-P781 HydrophobicContact CG1-CG 3.87Å; V751-V783 HydrophobicContact CG1-CG2 4.46Å; V751-V783 HydrophobicContact CG2-CG2 4.17Å
752A84.9Confident89.3Confident22 Ų2250.6 Ų50.618%0.18228%0.279CS..EExtended strand (participates in β ladder)trans-68.6117.5178.100000110.2P781 F782 Y784A752-P781 WeakPolarHBondContact O-CB 3.43Å; A752-F782 WeakPolarHBondContact CA-O 3.33Å; A752-F782 HydrophobicContact CB-CB 4.37Å; A752-F782 WeakPolarHBondContact CB-O 3.19Å; A752-F782 PolarHBondContact N-O 2.81Å; A752-F782 PolarHBondContact O-N 3.48Å; A752-Y784 HydrophobicContact CB-CD2 4.4Å; A752-Y784 HydrophobicContact CB-CE2 3.84Å
753V82.6Confident88.8Confident24 Ų2450.3 Ų50.315%0.14528%0.282CS..  trans-137.4102177-163.40000110.5V751 S755 R759 L762 P781V751-V753 HydrophobicContact CG1-CG2 3.92Å; V751-V753 PolarHBondContact O-N 3.15Å; V753-S755 PolarHBondContact O-N 3.34Å; V753-R759 HydrophobicContact CB-CG 3.72Å; V753-R759 HydrophobicContact CG1-CG 4.14Å; V753-R759 HydrophobicContact CG2-CG 4.39Å; V753-R759 PolarHBondContact O-NH1 2.98Å; V753-L762 HydrophobicContact CG2-CD1 3.74Å; V753-P781 HydrophobicContact CG2-CB 3.82Å
754D78.4Confident88.3Confident159 Ų15957.5 Ų57.585%0.8532%0.316SS*.  trans-64-31.9-179.1-48.5-62000112.2
755S86.4Confident87.9Confident60 Ų6063.9 Ų63.942%0.4234%0.338SS..  trans-85.5123.9-179.4179.40000112.2V753 A757 G758 R759V753-S755 PolarHBondContact O-N 3.34Å; S755-A757 PolarHBondContact O-N 3.09Å; S755-A757 PolarHBondContact OG-N 2.79Å; S755-G758 WeakPolarHBondContact O-CA 3.4Å; S755-G758 PolarHBondContact O-N 2.85Å; S755-G758 PolarHBondContact OG-N 2.82Å; S755-R759 PolarHBondContact O-N 3.45Å
756P82.4Confident87.5Confident89 Ų8963.7 Ų63.758%0.57834%0.342SS*.Hα-helixtrans-63.3-28.5173.926.9-34.2000112.4R759 Q760P756-R759 PolarHBondContact O-N 3.2Å; P756-Q760 WeakPolarHBondContact O-CB 3.42Å; P756-Q760 PolarHBondContact O-N 2.96Å
757A85.5Confident87.2Confident64 Ų6463.3 Ų63.353%0.52933%0.333SS..Hα-helixtrans-68.1-37173.200000111.7S755 Q760 Q761S755-A757 PolarHBondContact O-N 3.09Å; S755-A757 PolarHBondContact OG-N 2.79Å; A757-Q760 PolarHBondContact O-N 2.93Å; A757-Q761 WeakPolarHBondContact O-CB 3.16Å; A757-Q761 PolarHBondContact O-N 2.93Å
758G85.2Confident86.8Confident16 Ų1663.5 Ų63.517%0.16533%0.334CS..Hα-helixtrans-63.8-46.6172.700000111.8S755 Q760 Q761 L762S755-G758 WeakPolarHBondContact O-CA 3.4Å; S755-G758 PolarHBondContact O-N 2.85Å; S755-G758 PolarHBondContact OG-N 2.82Å; G758-Q760 VanDerWaalsContact C-N 3.32Å; G758-Q760 PolarHBondContact O-N 2.87Å; G758-Q761 WeakPolarHBondContact O-CB 3.32Å; G758-Q761 PolarHBondContact O-N 3.01Å; G758-L762 PolarHBondContact O-N 2.96Å
759R85.5Confident85.7Confident91 Ų9166.2 Ų66.234%0.34335%0.353SS..Hα-helixtrans-55.8-46.9173.5-66.6-163.7-65.7-10014.2111.4I689 V753 S755 P756 Q761 L762 L763I689-R759 HydrophobicContact CD1-CB 4.26Å; I689-R759 HydrophobicContact CG1-CB 3.93Å; I689-R759 HydrophobicContact CG1-CG 3.74Å; V753-R759 HydrophobicContact CB-CG 3.72Å; V753-R759 HydrophobicContact CG1-CG 4.14Å; V753-R759 HydrophobicContact CG2-CG 4.39Å; V753-R759 PolarHBondContact O-NH1 2.98Å; S755-R759 PolarHBondContact O-N 3.45Å; P756-R759 PolarHBondContact O-N 3.2Å; R759-Q761 VanDerWaalsContact C-N 3.3Å; R759-Q761 PolarHBondContact O-N 3.06Å; R759-L762 PolarHBondContact O-N 3.1Å; R759-L763 WeakPolarHBondContact O-CG 3.41Å; R759-L763 PolarHBondContact O-N 2.95Å
760Q84.6Confident84.2Confident124 Ų12469 Ų6958%0.57937%0.371SS*.Hα-helixtrans-66.5-29.2177.5-158.1-179.913.900112.8P756 A757 G758 Q764P756-Q760 WeakPolarHBondContact O-CB 3.42Å; P756-Q760 PolarHBondContact O-N 2.96Å; A757-Q760 PolarHBondContact O-N 2.93Å; G758-Q760 VanDerWaalsContact C-N 3.32Å; G758-Q760 PolarHBondContact O-N 2.87Å; Q760-Q764 WeakPolarHBondContact O-CB 3.34Å; Q760-Q764 VanDerWaalsContact O-CG 3.28Å; Q760-Q764 WeakPolarHBondContact O-CG 3.15Å; Q760-Q764 PolarHBondContact O-N 3.34Å; Q760-Q764 PolarHBondContact O-NE2 2.8Å
761Q86.8Confident82.2Confident101 Ų10173 Ų7347%0.47239%0.394SS..Hα-helixtrans-72.2-38.7175.1-167.1-177.314.200112.2A757 G758 R759 Q764 R765A757-Q761 WeakPolarHBondContact O-CB 3.16Å; A757-Q761 PolarHBondContact O-N 2.93Å; G758-Q761 WeakPolarHBondContact O-CB 3.32Å; G758-Q761 PolarHBondContact O-N 3.01Å; R759-Q761 VanDerWaalsContact C-N 3.3Å; R759-Q761 PolarHBondContact O-N 3.06Å; Q761-Q764 PolarHBondContact O-N 3Å; Q761-R765 PolarHBondContact O-N 3.38Å; Q761-R765 VanDerWaalsContact O-N 3.11Å
762L88Confident80.6Confident12 Ų1278.3 Ų78.36%0.06342%0.421CS..Hα-helixtrans-64.5-46172.5-65-174.3000111.2I689 I719 V751 V753 G758 R759 Q764 R765 G766 L768I689-L762 HydrophobicContact CG2-CB 4.43Å; I689-L762 HydrophobicContact CG2-CD1 4.01Å; I719-L762 HydrophobicContact CG2-CB 4.41Å; V751-L762 HydrophobicContact CB-CD1 4.45Å; V751-L762 HydrophobicContact CG1-CD1 3.67Å; V753-L762 HydrophobicContact CG2-CD1 3.74Å; G758-L762 PolarHBondContact O-N 2.96Å; R759-L762 PolarHBondContact O-N 3.1Å; L762-Q764 VanDerWaalsContact C-N 3.28Å; L762-Q764 PolarHBondContact O-N 3.47Å; L762-R765 PolarHBondContact O-N 3.03Å; L762-G766 PolarHBondContact O-N 3.03Å; L762-L768 HydrophobicContact CD1-CD1 4.47Å; L762-L768 HydrophobicContact CD2-CD1 4.02Å; L762-L768 HydrophobicContact CD2-CD2 3.82Å; L762-L768 HydrophobicContact CD2-CG 4.1Å
763L86.8Confident79.2Confident65 Ų6580.1 Ų80.134%0.3443%0.427SS..Hα-helixtrans-62-32.2175.9-68.9172000113.2I689 I719 K721 R759 G766I689-L763 HydrophobicContact CD1-CD1 3.88Å; I689-L763 HydrophobicContact CD1-CD2 3.93Å; I689-L763 HydrophobicContact CD1-CG 3.85Å; I719-L763 HydrophobicContact CG2-CD2 4.08Å; K721-L763 HydrophobicContact CD-CD2 4.35Å; K721-L763 HydrophobicContact CG-CD2 3.62Å; R759-L763 WeakPolarHBondContact O-CG 3.41Å; R759-L763 PolarHBondContact O-N 2.95Å; L763-G766 PolarHBondContact O-N 3.31Å
764Q85.6Confident77.5Confident151 Ų15186.4 Ų86.471%0.70646%0.459SS*.Hα-helixtrans-73.6-27.1173.1-81.3169.395.500113.6Q760 Q761 L762Q760-Q764 WeakPolarHBondContact O-CB 3.34Å; Q760-Q764 VanDerWaalsContact O-CG 3.28Å; Q760-Q764 WeakPolarHBondContact O-CG 3.15Å; Q760-Q764 PolarHBondContact O-N 3.34Å; Q760-Q764 PolarHBondContact O-NE2 2.8Å; Q761-Q764 PolarHBondContact O-N 3Å; L762-Q764 VanDerWaalsContact C-N 3.28Å; L762-Q764 PolarHBondContact O-N 3.47Å
765R84.9Confident75.6Confident149 Ų14986.6 Ų86.656%0.56246%0.455SS*.Hα-helixtrans-76.4-35.2170.3-73.4-175.6171.8113.2-3.1111.7Q761 L762 Y767Q761-R765 PolarHBondContact O-N 3.38Å; Q761-R765 VanDerWaalsContact O-N 3.11Å; L762-R765 PolarHBondContact O-N 3.03Å; R765-Y767 PolarHBondContact O-N 3.32Å
766G85.7Confident73.6Confident28 Ų2888 Ų8829%0.28948%0.479SS..  trans68.3-5.4-176.600000114.7I719 L762 L763I719-G766 PolarHBondContact N-O 3.35Å; L762-G766 PolarHBondContact O-N 3.03Å; L763-G766 PolarHBondContact O-N 3.31Å
767Y88.6Confident71.2Confident102 Ų10288 Ų8840%0.448%0.481SS..BIsolated β-bridgetrans-153.2145.4-173.2-124.1-91.9000110.3R715 E716 G717 Q718 R765R715-Y767 HydrophobicContact CB-CE2 4.49Å; R715-Y767 WeakPolarHBondContact CB-OH 3.24Å; E716-Y767 WeakPolarHBondContact O-CE1 3.38Å; E716-Y767 PolarHBondContact O-OH 3Å; G717-Y767 CarbonylContact O-C 3.6Å; G717-Y767 WeakPolarHBondContact O-CA 3.41Å; G717-Y767 WeakPolarHBondContact O-CD1 3.16Å; Q718-Y767 HydrophobicContact CB-CD2 4.2Å; Q718-Y767 HydrophobicContact CB-CE2 3.84Å; Q718-Y767 HydrophobicContact CG-CD2 4.48Å; Q718-Y767 HydrophobicContact CG-CE2 4.36Å; R765-Y767 PolarHBondContact O-N 3.32Å
768L86.3Confident68.8Low23 Ų2388 Ų8812%0.1249%0.487CS..  trans-124133163.8-80.1178.1000108.4V691 G717 I719 L762V691-L768 HydrophobicContact CG2-CB 4.21Å; G717-L768 WeakPolarHBondContact CA-O 3.48Å; G717-L768 PolarHBondContact O-N 2.88Å; I719-L768 HydrophobicContact CD1-CB 4.17Å; I719-L768 HydrophobicContact CD1-CD1 3.7Å; I719-L768 HydrophobicContact CD1-CG 3.72Å; I719-L768 HydrophobicContact CG1-CG 4.29Å; L762-L768 HydrophobicContact CD1-CD1 4.47Å; L762-L768 HydrophobicContact CD2-CD1 4.02Å; L762-L768 HydrophobicContact CD2-CD2 3.82Å; L762-L768 HydrophobicContact CD2-CG 4.1Å
769S72.4Confident66.5Low60 Ų6095.7 Ų95.742%0.4253%0.525SS..  trans-70.8136.5168.6-60.80000109.7D771 I772S769-D771 PolarHBondContact O-N 3.16Å; S769-D771 VanDerWaalsContact O-N 3.1Å; S769-I772 PolarHBondContact O-N 3.26Å
770P61.3Low64.4Low63 Ų6394 Ų9441%0.40954%0.535SS..Hα-helixtrans-51.8-32.7175.8-28.935.5000113.9E716 I772 L773E716-P770 HydrophobicContact CG-CG 4.39Å; E716-P770 WeakPolarHBondContact OE1-CG 3.48Å; P770-I772 PolarHBondContact O-N 3.33Å; P770-L773 WeakPolarHBondContact O-CA 3.23Å; P770-L773 WeakPolarHBondContact O-CB 3.38Å; P770-L773 PolarHBondContact O-N 3.01Å
771D52.1Low62.6Low127 Ų12790.6 Ų90.668%0.67952%0.524SS*.Hα-helixtrans-55.6-35.6178.1-46.9-64.8000113.5S769 L773 L774 E775S769-D771 PolarHBondContact O-N 3.16Å; S769-D771 VanDerWaalsContact O-N 3.1Å; D771-L773 VanDerWaalsContact C-N 3.26Å; D771-L773 PolarHBondContact O-N 2.62Å; D771-L774 PolarHBondContact O-N 3.41Å; D771-E775 PolarHBondContact O-N 3.31Å
772I57.8Low60.7Low115 Ų11592.4 Ų92.459%0.5953%0.53SS*.Hα-helixtrans-76.5-17.9-179.1-62.1178.1000111.3S769 P770S769-I772 PolarHBondContact O-N 3.26Å; P770-I772 PolarHBondContact O-N 3.33Å
773L55.5Low58.9Low59 Ų5992.6 Ų92.631%0.30953%0.532SS..Hα-helixtrans-77.6-26.6176.5-145.4167.5000111.2V691 P770 D771 V783V691-L773 HydrophobicContact CG1-CD1 3.92Å; P770-L773 WeakPolarHBondContact O-CA 3.23Å; P770-L773 WeakPolarHBondContact O-CB 3.38Å; P770-L773 PolarHBondContact O-N 3.01Å; D771-L773 VanDerWaalsContact C-N 3.26Å; D771-L773 PolarHBondContact O-N 2.62Å; L773-V783 HydrophobicContact CD1-CG2 4.35Å; L773-V783 HydrophobicContact CD2-CB 3.72Å; L773-V783 HydrophobicContact CD2-CG1 3.99Å; L773-V783 HydrophobicContact CD2-CG2 3.73Å; L773-V783 HydrophobicContact CG-CB 4.4Å; L773-V783 HydrophobicContact CG-CG2 3.85Å
774L48Very low56.8Low157 Ų15796.3 Ų96.382%0.82254%0.543SS*.Hα-helixtrans-95.4-26.2-175-169.761.8000114.1D771 G776D771-L774 PolarHBondContact O-N 3.41Å; L774-G776 PolarHBondContact O-N 2.6Å; L774-G776 VanDerWaalsContact O-N 3.15Å
775E38.7Very low54.5Low163 Ų16393.2 Ų93.276%0.76254%0.538SS*.  trans-83.395.4-175-163.6174-147.100112.8D771 S777D771-E775 PolarHBondContact O-N 3.31Å; E775-S777 VanDerWaalsContact C-N 3.28Å; E775-S777 PolarHBondContact O-N 3.29Å
776G44.2Very low52.2Low89 Ų8990.5 Ų90.592%0.91854%0.538SS*.  trans-65.972.8178.300000114.9L774L774-G776 PolarHBondContact O-N 2.6Å; L774-G776 VanDerWaalsContact O-N 3.15Å
777S31.2Very low49.7Very low90 Ų9093.8 Ų93.863%0.62956%0.562SS**  trans-112.9137.6170.2-166.50000110.7E775 G780E775-S777 VanDerWaalsContact C-N 3.28Å; E775-S777 PolarHBondContact O-N 3.29Å; S777-G780 PolarHBondContact O-N 2.69Å
778G36.4Very low47.3Very low64 Ų6494.6 Ų94.666%0.6657%0.569SS**THydrogen-bonded Turntrans-58.7140.3-170.300000113.5
779N36.8Very low44.9Very low177 Ų17797.4 Ų97.495%0.94759%0.588SS**THydrogen-bonded Turntrans81.310.3-175.2-42.1-82.5000116.6
780G41.3Very low43.2Very low54 Ų54101.9 Ų101.956%0.55761%0.612SS**SBendtrans-70.2151.815900000112.2S777S777-G780 PolarHBondContact O-N 2.69Å
781P47.3Very low42.1Very low54 Ų54100.2 Ų100.235%0.35161%0.607SS.*PPolyproline II helixtrans-71.7133.8173.531.9-34.1000110.4V751 A752 V753V751-P781 HydrophobicContact CG1-CB 3.71Å; V751-P781 HydrophobicContact CG1-CG 3.87Å; A752-P781 WeakPolarHBondContact O-CB 3.43Å; V753-P781 HydrophobicContact CG2-CB 3.82Å
782F45.7Very low41.6Very low138 Ų138100.1 Ų100.161%0.60561%0.613SS**EExtended strand (participates in β ladder)trans-77.4130.2-175.1-171.1-94.8000110.2A752 Y784A752-F782 WeakPolarHBondContact CA-O 3.33Å; A752-F782 HydrophobicContact CB-CB 4.37Å; A752-F782 WeakPolarHBondContact CB-O 3.19Å; A752-F782 PolarHBondContact N-O 2.81Å; A752-F782 PolarHBondContact O-N 3.48Å; F782-Y784 HydrophobicContact CD1-CD1 4.29Å; F782-Y784 HydrophobicContact CD1-CE1 4.2Å; F782-Y784 AromaticContact CE1-CD1 3.87Å; F782-Y784 HydrophobicContact CE1-CD1 3.87Å; F782-Y784 AromaticContact CE1-CE1 3.91Å; F782-Y784 HydrophobicContact CE1-CE1 3.91Å; F782-Y784 HydrophobicContact CE1-CG 4.49Å
783V51.3Low41.2Very low17 Ų1796.7 Ų96.710%0.10360%0.598CS.*EExtended strand (participates in β ladder)trans-101.5131172.51770000108.8A749 E750 V751 L773 S785A749-V783 HydrophobicContact CB-CG1 3.63Å; E750-V783 WeakPolarHBondContact O-CA 3.42Å; V751-V783 HydrophobicContact CG1-CG2 4.46Å; V751-V783 HydrophobicContact CG2-CG2 4.17Å; L773-V783 HydrophobicContact CD1-CG2 4.35Å; L773-V783 HydrophobicContact CD2-CB 3.72Å; L773-V783 HydrophobicContact CD2-CG1 3.99Å; L773-V783 HydrophobicContact CD2-CG2 3.73Å; L773-V783 HydrophobicContact CG-CB 4.4Å; L773-V783 HydrophobicContact CG-CG2 3.85Å; V783-S785 PolarHBondContact O-N 3.29Å
784Y42.8Very low40.6Very low142 Ų14298.1 Ų98.156%0.55761%0.611SS**  trans-76.1102.3171-69.4-74.5000108.8E750 A752 F782 T786E750-Y784 PolarHBondContact O-N 2.66Å; A752-Y784 HydrophobicContact CB-CD2 4.4Å; A752-Y784 HydrophobicContact CB-CE2 3.84Å; F782-Y784 HydrophobicContact CD1-CD1 4.29Å; F782-Y784 HydrophobicContact CD1-CE1 4.2Å; F782-Y784 AromaticContact CE1-CD1 3.87Å; F782-Y784 HydrophobicContact CE1-CD1 3.87Å; F782-Y784 AromaticContact CE1-CE1 3.91Å; F782-Y784 HydrophobicContact CE1-CE1 3.91Å; F782-Y784 HydrophobicContact CE1-CG 4.49Å; Y784-T786 PolarHBondContact O-N 3.22Å
785S36Very low40.2Very low86 Ų8699.8 Ų99.860%0.60161%0.612SS**  trans-69.193.1-178.8-63.20000112.4V783V783-S785 PolarHBondContact O-N 3.29Å
786T36.3Very low40.5Very low93 Ų9396.5 Ų96.557%0.57161%0.605SS**  trans-67146.1144.940.60000109.1Y784 H788Y784-T786 PolarHBondContact O-N 3.22Å; T786-H788 PolarHBondContact O-N 2.96Å
787A34.1Very low40.3Very low96 Ų96103.5 Ų103.579%0.79360%0.603SS**  trans-62130.3-159.900000114.5T789A787-T789 PolarHBondContact O-N 3.23Å; A787-T789 VanDerWaalsContact O-N 3.08Å
788H37.2Very low40.5Very low120 Ų120111.2 Ų111.256%0.55662%0.619SS**  trans-76.592.5176.9-57.4-66.2000111.3T786T786-H788 PolarHBondContact O-N 2.96Å
789T36.6Very low40.6Very low82 Ų82113.8 Ų113.850%0.50363%0.627SS.*  trans-84.4129162.7171.50000110.1A787 G791A787-T789 PolarHBondContact O-N 3.23Å; A787-T789 VanDerWaalsContact O-N 3.08Å; T789-G791 VanDerWaalsContact C-N 3.26Å; T789-G791 PolarHBondContact OG1-N 2.67Å; T789-G791 VanDerWaalsContact OG1-N 3.16Å
790T36.8Very low40.4Very low153 Ų153115.3 Ų115.394%0.93963%0.625SS**  trans-89.112.1172.248.90000112.9
791G38.1Very low40Very low28 Ų28121.8 Ų121.829%0.28964%0.637SS.*SBendtrans-86.2164.7172.200000112.7T789T789-G791 VanDerWaalsContact C-N 3.26Å; T789-G791 PolarHBondContact OG1-N 2.67Å; T789-G791 VanDerWaalsContact OG1-N 3.16Å
792P42.4Very low38.9Very low125 Ų125123.5 Ų123.581%0.81266%0.656SS**PPolyproline II helixtrans-60.3144.6169.628-34.7000110.4
793P47.8Very low38Very low44 Ų44125.5 Ų125.529%0.28667%0.667SS.*PPolyproline II helixtrans-63.4140.6-170.423.4-33.7000112.4M747 K795M747-P793 HydrophobicContact CE-CB 3.6Å; M747-P793 HydrophobicContact CE-CG 3.75Å; M747-P793 HydrophobicContact SD-CB 3.94Å; M747-P793 HydrophobicContact SD-CG 4.18Å; P793-K795 PolarHBondContact O-N 3.09Å
794P42.9Very low36.9Very low88 Ų88129 Ų12957%0.57169%0.693SS**PPolyproline II helixtrans-66.7132.2-179.527.4-34.2000111
795K41.3Very low36Very low192 Ų192130.9 Ų130.984%0.83571%0.707SS**PPolyproline II helixtrans-67.2131.9177.7-65.3-177.6179-178.80110.4P793 R797P793-K795 PolarHBondContact O-N 3.09Å; K795-R797 PolarHBondContact O-N 3.36Å
796P44.2Very low35.6Very low95 Ų95129.6 Ų129.662%0.61771%0.707SS**PPolyproline II helixtrans-64.6122.6178.825.8-33.4000110.9P703P703-P796 HydrophobicContact CG-CG 4.3Å
797R39.3Very low35.9Very low235 Ų235131.6 Ų131.689%0.88772%0.721SS**PPolyproline II helixtrans-86128.9170.3-66.2178.485.5149.40.6108.4K795 S799K795-R797 PolarHBondContact O-N 3.36Å; R797-S799 PolarHBondContact O-N 3.15Å
798R36Very low35.5Very low253 Ų253131.9 Ų131.996%0.95572%0.724SS**  trans-70.6105.7-174.9-173.4-177.9-172.6-177.74.9111.6
799S37.5Very low35.5Very low118 Ų118134.6 Ų134.683%0.82574%0.737SS**PPolyproline II helixtrans-67.6153.1176.4-65.80000112.9R797R797-S799 PolarHBondContact O-N 3.15Å
800K34Very low35.3Very low208 Ų208136.8 Ų136.890%0.90475%0.753SS**PPolyproline II helixtrans-100.9126.1-178-172.1174.4179.5177.70110.8
801K31.6Very low34.7Very low190 Ų190134.8 Ų134.883%0.82674%0.744SS**PPolyproline II helixtrans-68.4148.5-174.9-179.1176178177.90113.9
802A24.9Very low34.7Very low90 Ų90139.9 Ų139.974%0.74477%0.772SS**  trans-133.8160.9162.100000110.6
803E27.1Very low34.1Very low180 Ų180137 Ų13784%0.84177%0.765SS**  trans-96.7164.8176.2-66.2155.255.300109.8
804S28.1Very low33.7Very low92 Ų92141 Ų14164%0.64379%0.791SS**  cis-146.1-166.28.3-156.40000107.8
805E24Very low33.2Very low180 Ų180142.9 Ų142.984%0.84180%0.803SS**  cis-158.9-162.99.1-159.3133.1105.300110.4
806G27.1Very low32.8Very low59 Ų59143.1 Ų143.161%0.60880%0.804SS**  trans-158.2-155.9167.300000111
807P42.9Very low32.2Very low135 Ų135147 Ų14788%0.87782%0.819SS**  cis-124.3163.1-28.739.2-26.8000112.3
808A26.3Very low31.7Very low103 Ų103142.2 Ų142.285%0.85182%0.815SS**  trans-146.3136.517200000113.6
809Q35.5Very low31.7Very low176 Ų176135.6 Ų135.682%0.82281%0.805SS**  trans-97.4154.3163.7-74.3-161-27.400110.6
810P32.9Very low31.8Very low128 Ų128135.8 Ų135.883%0.83181%0.807SS**  -140.9172.611034.9-20.3000115.3
811C24.8Very low32Very low111 Ų111129.4 Ų129.475%0.7579%0.793SS**  trans-79.6167.9-174.2-56.50000114.1
812P38.7Very low32.4Very low135 Ų135128 Ų12888%0.87779%0.794SS**  trans-87.8153.4-15734.1-36.4000115.9
813G29.2Very low33.8Very low66 Ų66131.1 Ų131.168%0.6880%0.798SS**  trans-132.2166.1163.600000111.2
814P39Very low35.4Very low126 Ų126127.8 Ų127.882%0.81878%0.78SS**  trans-68.2139-174-18.231.8000112.4K816P814-K816 PolarHBondContact O-N 3.24Å; P814-K816 VanDerWaalsContact O-N 3.16Å
815P33.5Very low37.7Very low129 Ų129126.9 Ų126.984%0.83878%0.779SS**  trans-66.9115.9177.827.2-33.6000110.4
816K32.1Very low40.7Very low197 Ų197122.1 Ų122.186%0.85776%0.763SS**PPolyproline II helixtrans-70.7143.6157.8-81.5-177175.6177.70108.4P814 V818P814-K816 PolarHBondContact O-N 3.24Å; P814-K816 VanDerWaalsContact O-N 3.16Å; K816-V818 PolarHBondContact O-N 3.4Å; K816-V818 VanDerWaalsContact O-N 3.17Å
817L32.3Very low43.6Very low175 Ų175121.3 Ų121.392%0.91674%0.744SS**PPolyproline II helixtrans-56.5118.2169.8-63.7166.7000109P819L817-P819 WeakPolarHBondContact O-CD 3.49Å
818V28.7Very low45.9Very low135 Ų135117.5 Ų117.582%0.81872%0.72SS**PPolyproline II helixtrans-78.3123.1168-800000108.9K816K816-V818 PolarHBondContact O-N 3.4Å; K816-V818 VanDerWaalsContact O-N 3.17Å
819P35.8Very low49.1Very low115 Ų115113.4 Ų113.475%0.74768%0.684SS**PPolyproline II helixtrans-68.6140.3163.6-13.630000109.3L817 A821L817-P819 WeakPolarHBondContact O-CD 3.49Å; P819-A821 PolarHBondContact O-N 3.07Å
820S38.9Very low51.9Low122 Ų122107.5 Ų107.585%0.85366%0.66SS**SBendtrans-63134.5173.8-50.40000110.9
821A39.2Very low54.8Low74 Ų74101.5 Ų101.561%0.61262%0.621SS**  trans54.8111179.400000115.3P819 L823P819-A821 PolarHBondContact O-N 3.07Å; A821-L823 HydrophobicContact CB-CD2 4.39Å; A821-L823 HydrophobicContact CB-CG 4.5Å; A821-L823 PolarHBondContact O-N 2.96Å
822D39.4Very low58Low159 Ų15998 Ų9885%0.8560%0.599SS**  trans-6096.9148.1-91.4-50.7000107.6K824D822-K824 PolarHBondContact O-N 3.46Å
823L53.3Low60.5Low157 Ų15797.5 Ų97.582%0.82258%0.584SS**  trans-69.267.8167-69.8177.8000108.7A821 A825A821-L823 HydrophobicContact CB-CD2 4.39Å; A821-L823 HydrophobicContact CB-CG 4.5Å; A821-L823 PolarHBondContact O-N 2.96Å; L823-A825 PolarHBondContact O-N 3.14Å
824K61.8Low63.5Low109 Ų10998.1 Ų98.147%0.47457%0.571SS.*  trans-52.2112173.5-165.9-173.3-179.8-157.90106.6D822 G862D822-K824 PolarHBondContact O-N 3.46Å; K824-G862 WeakPolarHBondContact CD-O 3.31Å
825A77Confident66Low74 Ų7492.7 Ų92.761%0.61254%0.535SS*.  trans-52.7137.4-169.200000110.2L823 H827L823-A825 PolarHBondContact O-N 3.14Å; A825-H827 PolarHBondContact O-CD2 3.05Å; A825-H827 PolarHBondContact O-N 3.05Å; A825-H827 VanDerWaalsContact O-N 3.11Å
826P86.8Confident68.6Low80 Ų8089.2 Ų89.252%0.51951%0.509SS..  trans-53.2121.9-172.6-27.535000111.1T859 V860 F861P826-T859 HydrophobicContact CB-CG2 3.82Å; P826-V860 CarbonylContact C-O 3.6Å; P826-V860 VanDerWaalsContact CA-O 3.24Å; P826-V860 WeakPolarHBondContact CA-O 3.22Å; P826-F861 HydrophobicContact CB-CD1 3.91Å; P826-F861 HydrophobicContact CB-CE1 3.94Å; P826-F861 HydrophobicContact CG-CD1 3.62Å; P826-F861 HydrophobicContact CG-CE1 3.8Å
827H87.3Confident71.2Confident41 Ų4180 Ų8019%0.1947%0.47CS..EExtended strand (participates in β ladder)trans-119.7131.6-170.555.693.8000109.6A825 M829 V860 G862 Y870A825-H827 PolarHBondContact O-CD2 3.05Å; A825-H827 PolarHBondContact O-N 3.05Å; A825-H827 VanDerWaalsContact O-N 3.11Å; H827-M829 PolarHBondContact CE1-SD 3.36Å; H827-V860 WeakPolarHBondContact CE1-CG1 3.19Å; H827-V860 PolarHBondContact N-O 3.32Å; H827-V860 VanDerWaalsContact NE2-CG1 3.29Å; H827-V860 WeakPolarHBondContact NE2-CG1 3.49Å; H827-V860 PolarHBondContact O-N 3.36Å; H827-G862 PolarHBondContact NE2-O 2.96Å; H827-Y870 AromaticContact CE1-CE1 3.92Å
828S91.9Very high73.5Confident56 Ų5678.5 Ų78.539%0.39246%0.458SS..EExtended strand (participates in β ladder)trans-80.6127.8-178.8-55.20000110.2I858 P889S828-I858 CarbonylContact C-O 3.55Å; S828-I858 WeakPolarHBondContact CA-O 3.48Å; S828-P889 WeakPolarHBondContact O-CB 3.3Å; S828-P889 VanDerWaalsContact O-CD 3.27Å; S828-P889 WeakPolarHBondContact O-CD 3.43Å; S828-P889 WeakPolarHBondContact O-CG 3.39Å
829M92.7Very high76Confident16 Ų1679.7 Ų79.78%0.07946%0.455CS..EExtended strand (participates in β ladder)trans-117.2158.1172.9-62-176.971.800109.2H827 I858 V860 Y870 L886H827-M829 PolarHBondContact CE1-SD 3.36Å; M829-I858 PolarHBondContact N-O 2.76Å; M829-I858 PolarHBondContact O-N 3.47Å; M829-V860 HydrophobicContact CB-CG2 4.5Å; M829-V860 HydrophobicContact CG-CG2 4.26Å; M829-V860 HydrophobicContact SD-CB 4.4Å; M829-V860 HydrophobicContact SD-CG2 3.93Å; M829-Y870 HydrophobicContact CE-CE2 4.03Å; M829-Y870 HydrophobicContact SD-CD2 4.32Å; M829-Y870 HydrophobicContact SD-CE2 3.89Å; M829-L886 HydrophobicContact CB-CB 4.19Å; M829-L886 HydrophobicContact CB-CD1 3.97Å; M829-L886 HydrophobicContact CE-CB 3.74Å; M829-L886 HydrophobicContact CE-CD1 4.26Å; M829-L886 HydrophobicContact SD-CB 4.43Å; M829-L886 HydrophobicContact SD-CD1 3.91Å
830V93.9Very high77.8Confident53 Ų5377.1 Ų77.132%0.32144%0.439SS..EExtended strand (participates in β ladder)trans-107.3130.1-178.4-174.90000109A832 D856 L886 E887V830-A832 PolarHBondContact O-N 3.18Å; V830-D856 WeakPolarHBondContact CA-O 3.36Å; V830-L886 WeakPolarHBondContact O-CA 3.4Å; V830-E887 PolarHBondContact N-O 3.08Å; V830-E887 PolarHBondContact O-N 2.87Å
831A94.4Very high79.5Confident2 Ų272.4 Ų72.42%0.01741%0.406CS..EExtended strand (participates in β ladder)trans-64.7119.4171.900000110.4F852 R853 A854 G855 D856 I858 F885A831-F852 HydrophobicContact CB-CD2 3.42Å; A831-F852 VanDerWaalsContact CB-CD2 3.42Å; A831-F852 HydrophobicContact CB-CE2 3.76Å; A831-F852 HydrophobicContact CB-CG 4.38Å; A831-R853 VanDerWaalsContact CB-O 3.3Å; A831-R853 WeakPolarHBondContact CB-O 3.21Å; A831-A854 CarbonylContact O-C 3.57Å; A831-A854 WeakPolarHBondContact O-CA 3.43Å; A831-G855 PolarHBondContact O-N 3.38Å; A831-D856 HydrophobicContact CB-CB 4.42Å; A831-D856 PolarHBondContact N-O 2.69Å; A831-I858 HydrophobicContact CB-CD1 4.26Å; A831-F885 CarbonylContact C-O 3.4Å; A831-F885 WeakPolarHBondContact CA-O 3.33Å
832A91.8Very high81Confident36 Ų3674.8 Ų74.830%0.29842%0.416SS..SBendtrans-78.3-26.1176.800000112.4V830 F885 E887V830-A832 PolarHBondContact O-N 3.18Å; A832-F885 PolarHBondContact N-O 3.31Å; A832-E887 HydrophobicContact CB-CB 4.39Å
833F92.1Very high82.6Confident126 Ų12670.8 Ų70.855%0.55339%0.394SS*.SBendtrans-137.1161.2-175.9-51.8-67.9000111.1F885F833-F885 HydrophobicContact CB-CD1 3.94Å; F833-F885 HydrophobicContact CB-CE1 4.42Å
834D92.1Very high83.1Confident78 Ų7871.8 Ų71.842%0.41740%0.397SS..  trans-69.8141.4168.5-77.711.6000109.9R853 A854D834-R853 WeakPolarHBondContact OD1-CA 3.5Å; D834-R853 IonicContact OD1-CZ 2.67Å; D834-R853 IonicContact OD1-NE 3.31Å; D834-R853 IonicContact OD1-NH2 2.66Å; D834-R853 PolarHBondContact OD1-NH2 3.49Å; D834-R853 IonicContact OD2-CZ 2.68Å; D834-R853 IonicContact OD2-NE 2.67Å; D834-R853 PolarHBondContact OD2-NE 3.21Å; D834-R853 IonicContact OD2-NH2 3.62Å; D834-R853 PolarHBondContact OD2-NH2 3.02Å; D834-A854 PolarHBondContact OD1-N 2.62Å
835Y91.9Very high83.5Confident13 Ų1372.6 Ų72.65%0.05141%0.406CS..BIsolated β-bridgetrans-134.8126.7174.6-170.8-113.4000111.8P837 E849 F852 P882 F885Y835-P837 HydrophobicContact CD1-CG 4.32Å; Y835-P837 HydrophobicContact CE1-CG 3.99Å; Y835-E849 PolarHBondContact OH-OE2 2.8Å; Y835-F852 VanDerWaalsContact CB-CE2 3.41Å; Y835-F852 HydrophobicContact CD1-CD1 4.31Å; Y835-F852 AromaticContact CD1-CE1 3.64Å; Y835-F852 HydrophobicContact CD1-CE1 3.64Å; Y835-F852 AromaticContact CD1-CZ 3.99Å; Y835-F852 HydrophobicContact CD1-CZ 3.99Å; Y835-F852 AromaticContact CG-CE1 3.93Å; Y835-F852 HydrophobicContact CG-CE1 3.93Å; Y835-F852 HydrophobicContact CG-CE2 4.4Å; Y835-F852 AromaticContact CG-CZ 3.8Å; Y835-F852 HydrophobicContact CG-CZ 3.8Å; Y835-F852 PolarHBondContact N-O 3.29Å; Y835-F852 PolarHBondContact O-N 3.44Å; Y835-F852 VanDerWaalsContact O-N 3.12Å; Y835-F852 VanDerWaalsContact O-O 3.05Å; Y835-P882 HydrophobicContact CD1-CG 4.18Å; Y835-P882 HydrophobicContact CD2-CG 4.15Å; Y835-P882 HydrophobicContact CE1-CG 3.88Å; Y835-P882 HydrophobicContact CE2-CG 3.86Å; Y835-P882 HydrophobicContact CG-CG 4.3Å; Y835-F885 AromaticContact CD2-CD1 3.91Å; Y835-F885 HydrophobicContact CD2-CD1 3.91Å; Y835-F885 HydrophobicContact CD2-CD2 4.42Å; Y835-F885 AromaticContact CD2-CE1 3.6Å; Y835-F885 HydrophobicContact CD2-CE1 3.6Å; Y835-F885 HydrophobicContact CD2-CE2 4.13Å; Y835-F885 HydrophobicContact CD2-CG 4.34Å; Y835-F885 AromaticContact CD2-CZ 3.72Å; Y835-F885 HydrophobicContact CD2-CZ 3.72Å; Y835-F885 HydrophobicContact CE2-CE1 4.39Å; Y835-F885 HydrophobicContact CE2-CE2 4.22Å; Y835-F885 HydrophobicContact CE2-CZ 4.05Å; Y835-F885 HydrophobicContact CG-CD1 4.34Å; Y835-F885 HydrophobicContact CG-CE1 4.42Å
836N87.9Confident83.5Confident55 Ų5570.6 Ų70.629%0.29439%0.386SS..  trans-128.2106.6177.7-179.19.3000108.8Q838 E839 S840N836-Q838 PolarHBondContact O-N 2.89Å; N836-Q838 VanDerWaalsContact O-N 3.15Å; N836-Q838 PolarHBondContact OD1-N 2.85Å; N836-E839 HydrophobicContact CB-CB 4.37Å; N836-E839 WeakPolarHBondContact ND2-CG 3.32Å; N836-E839 PolarHBondContact ND2-OE2 3.22Å; N836-E839 PolarHBondContact O-N 2.92Å; N836-S840 VanDerWaalsContact O-CB 3.29Å; N836-S840 WeakPolarHBondContact O-CB 3.34Å; N836-S840 PolarHBondContact O-N 3.03Å; N836-S840 PolarHBondContact O-OG 2.76Å
837P87Confident83.2Confident5 Ų575.8 Ų75.83%0.03240%0.404CS..Hα-helixtrans-51.1-39.2-179.5-30.636.9000113.4Y835 E839 S841 V846 E849Y835-P837 HydrophobicContact CD1-CG 4.32Å; Y835-P837 HydrophobicContact CE1-CG 3.99Å; P837-E839 PolarHBondContact O-N 3.45Å; P837-S841 WeakPolarHBondContact O-CB 2.96Å; P837-S841 PolarHBondContact O-N 3.39Å; P837-V846 HydrophobicContact CB-CB 4.14Å; P837-V846 HydrophobicContact CB-CG1 4.43Å; P837-E849 HydrophobicContact CB-CB 3.97Å; P837-E849 WeakPolarHBondContact CB-OE2 3.12Å; P837-E849 HydrophobicContact CG-CB 3.69Å
838Q79.1Confident83Confident142 Ų14276.2 Ų76.266%0.66441%0.414SS*.Hα-helixtrans-67-17.2-177.8-58.1-70.2-39.900114.4N836N836-Q838 PolarHBondContact O-N 2.89Å; N836-Q838 VanDerWaalsContact O-N 3.15Å; N836-Q838 PolarHBondContact OD1-N 2.85Å
839E80.8Confident82.9Confident161 Ų16174 Ų7475%0.75240%0.398SS*.Hα-helixtrans-121.1-20.7-178.6-69172.815600112.9N836 P837N836-E839 HydrophobicContact CB-CB 4.37Å; N836-E839 WeakPolarHBondContact ND2-CG 3.32Å; N836-E839 PolarHBondContact ND2-OE2 3.22Å; N836-E839 PolarHBondContact O-N 2.92Å; P837-E839 PolarHBondContact O-N 3.45Å
840S74.1Confident82.9Confident61 Ų6173.4 Ų73.443%0.42740%0.395SS..Hα-helixtrans-120.1-11.1-169.9-54.40000114.3N836N836-S840 VanDerWaalsContact O-CB 3.29Å; N836-S840 WeakPolarHBondContact O-CB 3.34Å; N836-S840 PolarHBondContact O-N 3.03Å; N836-S840 PolarHBondContact O-OG 2.76Å
841S75.5Confident82.8Confident22 Ų2274 Ų7415%0.15440%0.399CS..  trans-93.6134.4176.9-165.70000111.7P837 N843 E849P837-S841 WeakPolarHBondContact O-CB 2.96Å; P837-S841 PolarHBondContact O-N 3.39Å; S841-N843 VanDerWaalsContact C-N 3.27Å; S841-N843 WeakPolarHBondContact OG-CB 3.21Å; S841-N843 PolarHBondContact OG-N 2.76Å; S841-N843 VanDerWaalsContact OG-N 3.15Å; S841-N843 PolarHBondContact OG-ND2 2.83Å; S841-E849 WeakPolarHBondContact CB-OE2 3.04Å; S841-E849 VanDerWaalsContact OG-CD 3.24Å; S841-E849 PolarHBondContact OG-OE1 3.3Å; S841-E849 PolarHBondContact OG-OE2 3.37Å; S841-E849 VanDerWaalsContact OG-OE2 3.07Å
842P70.8Confident82.8Confident125 Ų12574.2 Ų74.281%0.81240%0.4SS*.  trans-83.7-2.7166.536.7-35.3000112.6
843N72.6Confident82.8Confident74 Ų7479.6 Ų79.640%0.39641%0.413SS..SBendtrans-84149-176.2-60.1-36.6000111.2S841 V846 E849S841-N843 VanDerWaalsContact C-N 3.27Å; S841-N843 WeakPolarHBondContact OG-CB 3.21Å; S841-N843 PolarHBondContact OG-N 2.76Å; S841-N843 VanDerWaalsContact OG-N 3.15Å; S841-N843 PolarHBondContact OG-ND2 2.83Å; N843-V846 WeakPolarHBondContact O-CG1 3.5Å; N843-E849 PolarHBondContact ND2-OE1 3.46Å
844M64.4Low82.9Confident179 Ų17976.2 Ų76.288%0.88241%0.408SS*.SBendtrans-73-30.8172.2-66.6179.565.200112.1V846M844-V846 PolarHBondContact O-N 3.17Å
845D69.7Low82.8Confident125 Ų12574.8 Ų74.867%0.66841%0.412SS*.  trans-84.546.9-175.7-60-61.6000113.1E847 A848D845-E847 PolarHBondContact O-N 2.84Å; D845-A848 HydrophobicContact CB-CB 4.44Å; D845-A848 WeakPolarHBondContact O-CB 3.05Å; D845-A848 PolarHBondContact O-N 2.88Å
846V77.6Confident82.8Confident32 Ų3276.6 Ų76.619%0.19442%0.422CS..THydrogen-bonded Turntrans-54.7-17.3178.3-68.70000114.7P837 N843 M844P837-V846 HydrophobicContact CB-CB 4.14Å; P837-V846 HydrophobicContact CB-CG1 4.43Å; N843-V846 WeakPolarHBondContact O-CG1 3.5Å; M844-V846 PolarHBondContact O-N 3.17Å
847E78.9Confident83.1Confident190 Ų19077.9 Ų77.989%0.88843%0.432SS*.THydrogen-bonded Turntrans-77.6-21.2174.6-57.8-164.9150.400113.7D845 E849D845-E847 PolarHBondContact O-N 2.84Å; E847-E849 VanDerWaalsContact C-N 3.33Å
848A83.6Confident83.5Confident50 Ų5077.7 Ų77.741%0.41343%0.431SS..SBendtrans-81.6-15.3177.800000112.6D845 G879 L880D845-A848 HydrophobicContact CB-CB 4.44Å; D845-A848 WeakPolarHBondContact O-CB 3.05Å; D845-A848 PolarHBondContact O-N 2.88Å; A848-G879 CarbonylContact O-C 3.58Å; A848-G879 WeakPolarHBondContact O-CA 3.47Å; A848-L880 PolarHBondContact O-N 3.27Å
849E90.9Very high84.2Confident10 Ų1073.1 Ų73.15%0.04741%0.413CS..BIsolated β-bridgetrans-94.4146.5-178.1-67174.9-168.500112Y835 P837 S841 N843 E847 P851 L880Y835-E849 PolarHBondContact OH-OE2 2.8Å; P837-E849 HydrophobicContact CB-CB 3.97Å; P837-E849 WeakPolarHBondContact CB-OE2 3.12Å; P837-E849 HydrophobicContact CG-CB 3.69Å; S841-E849 WeakPolarHBondContact CB-OE2 3.04Å; S841-E849 VanDerWaalsContact OG-CD 3.24Å; S841-E849 PolarHBondContact OG-OE1 3.3Å; S841-E849 PolarHBondContact OG-OE2 3.37Å; S841-E849 VanDerWaalsContact OG-OE2 3.07Å; N843-E849 PolarHBondContact ND2-OE1 3.46Å; E847-E849 VanDerWaalsContact C-N 3.33Å; E849-P851 WeakPolarHBondContact O-CD 3.45Å; E849-L880 WeakPolarHBondContact CA-O 3.43Å; E849-L880 HydrophobicContact CG-CB 4.28Å
850L91.6Very high84.8Confident3 Ų365.4 Ų65.42%0.01638%0.377CS..PPolyproline II helixtrans-93.8119.9-175.5-170.267.1000110.3F852 I858 L874 Q877 L880 V881L850-F852 WeakPolarHBondContact O-CD1 3.36Å; L850-I858 HydrophobicContact CD2-CG2 4.22Å; L850-L874 HydrophobicContact CD1-CB 4.45Å; L850-L874 HydrophobicContact CD2-CB 3.75Å; L850-L874 HydrophobicContact CG-CB 4.3Å; L850-Q877 HydrophobicContact CD1-CB 3.71Å; L850-Q877 WeakPolarHBondContact CD1-O 3.49Å; L850-L880 PolarHBondContact N-O 3.45Å; L850-V881 HydrophobicContact CB-CG2 3.82Å; L850-V881 HydrophobicContact CD2-CG2 3.63Å; L850-V881 HydrophobicContact CG-CG2 4.36Å
851P91.8Very high85.6Confident64 Ų6465.4 Ų65.442%0.41637%0.369SS..PPolyproline II helixtrans-74.7138.2171.129.6-33.6000111.1E849E849-P851 WeakPolarHBondContact O-CD 3.45Å
852F93.8Very high86.1Confident7 Ų765.2 Ų65.23%0.03137%0.371CS..BIsolated β-bridgetrans-155.3168.2-179.857.6-98.8000112.6A831 Y835 L850 D856 I858 L874 V881 F885 L886A831-F852 HydrophobicContact CB-CD2 3.42Å; A831-F852 VanDerWaalsContact CB-CD2 3.42Å; A831-F852 HydrophobicContact CB-CE2 3.76Å; A831-F852 HydrophobicContact CB-CG 4.38Å; Y835-F852 VanDerWaalsContact CB-CE2 3.41Å; Y835-F852 HydrophobicContact CD1-CD1 4.31Å; Y835-F852 AromaticContact CD1-CE1 3.64Å; Y835-F852 HydrophobicContact CD1-CE1 3.64Å; Y835-F852 AromaticContact CD1-CZ 3.99Å; Y835-F852 HydrophobicContact CD1-CZ 3.99Å; Y835-F852 AromaticContact CG-CE1 3.93Å; Y835-F852 HydrophobicContact CG-CE1 3.93Å; Y835-F852 HydrophobicContact CG-CE2 4.4Å; Y835-F852 AromaticContact CG-CZ 3.8Å; Y835-F852 HydrophobicContact CG-CZ 3.8Å; Y835-F852 PolarHBondContact N-O 3.29Å; Y835-F852 PolarHBondContact O-N 3.44Å; Y835-F852 VanDerWaalsContact O-N 3.12Å; Y835-F852 VanDerWaalsContact O-O 3.05Å; L850-F852 WeakPolarHBondContact O-CD1 3.36Å; F852-D856 HydrophobicContact CB-CB 4.45Å; F852-I858 HydrophobicContact CB-CD1 3.8Å; F852-I858 HydrophobicContact CD1-CD1 3.63Å; F852-I858 HydrophobicContact CD2-CD1 3.94Å; F852-I858 HydrophobicContact CE1-CD1 4.17Å; F852-I858 HydrophobicContact CE2-CD1 4.4Å; F852-I858 HydrophobicContact CG-CD1 3.52Å; F852-L874 HydrophobicContact CB-CD2 3.49Å; F852-L874 VanDerWaalsContact CB-CD2 3.49Å; F852-V881 HydrophobicContact CD1-CG1 4.41Å; F852-V881 HydrophobicContact CE1-CG1 3.7Å; F852-V881 HydrophobicContact CZ-CG1 4.12Å; F852-F885 HydrophobicContact CE2-CB 3.84Å; F852-F885 HydrophobicContact CZ-CB 3.67Å; F852-F885 HydrophobicContact CZ-CG 4.31Å; F852-L886 HydrophobicContact CZ-CD2 4.42Å
853R92.7Very high86.8Confident150 Ų15061.4 Ų61.457%0.56635%0.354SS*.  trans-124.8154.5-177-56.2-158.566.4-103.7-11.2111.9A831 D834 G855 D856A831-R853 VanDerWaalsContact CB-O 3.3Å; A831-R853 WeakPolarHBondContact CB-O 3.21Å; D834-R853 WeakPolarHBondContact OD1-CA 3.5Å; D834-R853 IonicContact OD1-CZ 2.67Å; D834-R853 IonicContact OD1-NE 3.31Å; D834-R853 IonicContact OD1-NH2 2.66Å; D834-R853 PolarHBondContact OD1-NH2 3.49Å; D834-R853 IonicContact OD2-CZ 2.68Å; D834-R853 IonicContact OD2-NE 2.67Å; D834-R853 PolarHBondContact OD2-NE 3.21Å; D834-R853 IonicContact OD2-NH2 3.62Å; D834-R853 PolarHBondContact OD2-NH2 3.02Å; R853-G855 PolarHBondContact O-N 2.74Å; R853-D856 PolarHBondContact N-OD2 3.36Å; R853-D856 VanDerWaalsContact O-CB 3.25Å; R853-D856 WeakPolarHBondContact O-CB 3.2Å; R853-D856 PolarHBondContact O-N 3.32Å
854A93.1Very high87.6Confident54 Ų5462.7 Ų62.745%0.44636%0.359SS..THydrogen-bonded Turntrans-56.5123.6178.600000110.9A831 D834A831-A854 CarbonylContact O-C 3.57Å; A831-A854 WeakPolarHBondContact O-CA 3.43Å; D834-A854 PolarHBondContact OD1-N 2.62Å
855G90.2Very high88.8Confident49 Ų4956.7 Ų56.751%0.50533%0.331SS..THydrogen-bonded Turntrans96.2-7.3-173.300000115.4A831 R853A831-G855 PolarHBondContact O-N 3.38Å; R853-G855 PolarHBondContact O-N 2.74Å
856D93.7Very high89.6Confident50 Ų5059 Ų5927%0.26734%0.343SS..  trans-67.3138.9173.5-76.9-27.6000111.2V830 A831 F852 R853 L874V830-D856 WeakPolarHBondContact CA-O 3.36Å; A831-D856 HydrophobicContact CB-CB 4.42Å; A831-D856 PolarHBondContact N-O 2.69Å; F852-D856 HydrophobicContact CB-CB 4.45Å; R853-D856 PolarHBondContact N-OD2 3.36Å; R853-D856 VanDerWaalsContact O-CB 3.25Å; R853-D856 WeakPolarHBondContact O-CB 3.2Å; R853-D856 PolarHBondContact O-N 3.32Å; D856-L874 HydrophobicContact CB-CD1 4Å; D856-L874 HydrophobicContact CB-CD2 3.89Å
857V93.4Very high89.9Confident83 Ų8364.2 Ų64.250%0.50337%0.37SS..EExtended strand (participates in β ladder)trans-98.9104.9-179.8-177.30000109.1
858I94.3Very high90.4Very high0 Ų055.9 Ų55.90%034%0.335CS..EExtended strand (participates in β ladder)trans-100.1130-173.5-59173.2000108.6S828 M829 A831 L850 F852 L874 V881 L886S828-I858 CarbonylContact C-O 3.55Å; S828-I858 WeakPolarHBondContact CA-O 3.48Å; M829-I858 PolarHBondContact N-O 2.76Å; M829-I858 PolarHBondContact O-N 3.47Å; A831-I858 HydrophobicContact CB-CD1 4.26Å; L850-I858 HydrophobicContact CD2-CG2 4.22Å; F852-I858 HydrophobicContact CB-CD1 3.8Å; F852-I858 HydrophobicContact CD1-CD1 3.63Å; F852-I858 HydrophobicContact CD2-CD1 3.94Å; F852-I858 HydrophobicContact CE1-CD1 4.17Å; F852-I858 HydrophobicContact CE2-CD1 4.4Å; F852-I858 HydrophobicContact CG-CD1 3.52Å; I858-L874 HydrophobicContact CG1-CB 4.28Å; I858-L874 HydrophobicContact CG1-CD1 4.28Å; I858-L874 HydrophobicContact CG1-CD2 4.24Å; I858-L874 HydrophobicContact CG1-CG 4.5Å; I858-V881 HydrophobicContact CD1-CG1 4.15Å; I858-V881 HydrophobicContact CG2-CG2 4.14Å; I858-L886 HydrophobicContact CD1-CD2 3.82Å
859T94.1Very high90.8Very high46 Ų4655.4 Ų55.428%0.28232%0.324SS..EExtended strand (participates in β ladder)trans-88.6109.9176.3-58.90000109.3P826 F861 G872 E873P826-T859 HydrophobicContact CB-CG2 3.82Å; T859-F861 HydrophobicContact CG2-CE2 4.02Å; T859-F861 HydrophobicContact CG2-CZ 3.92Å; T859-F861 WeakPolarHBondContact O-CD2 3.08Å; T859-F861 VanDerWaalsContact O-CE2 3.23Å; T859-F861 WeakPolarHBondContact O-CE2 3.41Å; T859-G872 CarbonylContact O-C 3.57Å; T859-G872 WeakPolarHBondContact O-CA 3.48Å; T859-E873 PolarHBondContact N-O 2.82Å; T859-E873 PolarHBondContact O-N 2.94Å
860V94.1Very high90.9Very high0 Ų056.6 Ų56.60%033%0.328CS..EExtended strand (participates in β ladder)trans-89.3136178.8168.30000110.4P826 H827 M829 Y870 L886P826-V860 CarbonylContact C-O 3.6Å; P826-V860 VanDerWaalsContact CA-O 3.24Å; P826-V860 WeakPolarHBondContact CA-O 3.22Å; H827-V860 WeakPolarHBondContact CE1-CG1 3.19Å; H827-V860 PolarHBondContact N-O 3.32Å; H827-V860 VanDerWaalsContact NE2-CG1 3.29Å; H827-V860 WeakPolarHBondContact NE2-CG1 3.49Å; H827-V860 PolarHBondContact O-N 3.36Å; M829-V860 HydrophobicContact CB-CG2 4.5Å; M829-V860 HydrophobicContact CG-CG2 4.26Å; M829-V860 HydrophobicContact SD-CB 4.4Å; M829-V860 HydrophobicContact SD-CG2 3.93Å; V860-Y870 HydrophobicContact CG1-CD1 3.49Å; V860-Y870 VanDerWaalsContact CG1-CD1 3.49Å; V860-Y870 HydrophobicContact CG1-CE1 4.2Å; V860-Y870 HydrophobicContact CG1-CG 3.72Å; V860-Y870 HydrophobicContact CG2-CD2 4.36Å; V860-Y870 HydrophobicContact CG2-CG 4.09Å; V860-L886 HydrophobicContact CG2-CD1 3.89Å
861F90.8Very high91Very high60 Ų6061 Ų6126%0.26335%0.345SS..EExtended strand (participates in β ladder)trans-109.2121.9179.1-60.6-98.3000110.4P826 T859 Y871 E873P826-F861 HydrophobicContact CB-CD1 3.91Å; P826-F861 HydrophobicContact CB-CE1 3.94Å; P826-F861 HydrophobicContact CG-CD1 3.62Å; P826-F861 HydrophobicContact CG-CE1 3.8Å; T859-F861 HydrophobicContact CG2-CE2 4.02Å; T859-F861 HydrophobicContact CG2-CZ 3.92Å; T859-F861 WeakPolarHBondContact O-CD2 3.08Å; T859-F861 VanDerWaalsContact O-CE2 3.23Å; T859-F861 WeakPolarHBondContact O-CE2 3.41Å; F861-Y871 HydrophobicContact CB-CD1 4.41Å; F861-Y871 HydrophobicContact CD2-CD1 4.19Å; F861-Y871 PolarHBondContact N-O 2.9Å; F861-E873 HydrophobicContact CE2-CB 3.59Å; F861-E873 HydrophobicContact CZ-CB 4.21Å; F861-E873 WeakPolarHBondContact CZ-OE2 3.48Å
862G87Confident91.1Very high19 Ų1957.9 Ų57.920%0.19633%0.325CS..EExtended strand (participates in β ladder)trans79.8-148.4175.400000114.5K824 H827K824-G862 WeakPolarHBondContact CD-O 3.31Å; H827-G862 PolarHBondContact NE2-O 2.96Å
863G84.8Confident91.1Very high45 Ų4560.5 Ų60.546%0.46434%0.337SS..EExtended strand (participates in β ladder)trans-84.5-178.9177.200000113.1Y870G863-Y870 WeakPolarHBondContact O-CD1 3.29Å
864M89.7Confident91.1Very high101 Ų10154 Ų5450%0.49831%0.314SS..EExtended strand (participates in β ladder)trans-78.5146.1157.7-160.1176.374.300107.2F869 Y870 S883M864-F869 CarbonylContact C-O 3.5Å; M864-F869 VanDerWaalsContact CA-O 3.31Å; M864-F869 WeakPolarHBondContact CA-O 3.45Å; M864-F869 WeakPolarHBondContact CG-O 3.28Å; M864-Y870 HydrophobicContact CB-CD1 4.01Å; M864-Y870 HydrophobicContact CB-CE1 3.5Å; M864-Y870 VanDerWaalsContact CB-CE1 3.5Å; M864-Y870 HydrophobicContact CG-CD1 4.26Å; M864-Y870 HydrophobicContact CG-CE1 3.95Å; M864-S883 PolarHBondContact SD-OG 3.14Å
865D88.3Confident90.9Very high53 Ų5358.5 Ų58.528%0.28333%0.331SS..  trans-80.6173168.952.950.6000111.9D867 G868 F869D865-D867 PolarHBondContact O-N 2.87Å; D865-D867 PolarHBondContact OD1-N 2.9Å; D865-G868 PolarHBondContact O-N 2.8Å; D865-G868 PolarHBondContact OD1-N 2.88Å; D865-G868 VanDerWaalsContact OD1-N 3.1Å; D865-F869 VanDerWaalsContact CG-O 3.32Å; D865-F869 PolarHBondContact N-O 3.34Å; D865-F869 WeakPolarHBondContact OD1-CA 3.34Å; D865-F869 PolarHBondContact OD1-N 3.47Å; D865-F869 WeakPolarHBondContact OD2-CB 3.44Å
866D86.6Confident90.7Very high172 Ų17258.9 Ų58.992%0.9233%0.334SS*.THydrogen-bonded Turntrans-66.7-21.2-177.2-62.3-48.6000112.7
867D84.8Confident90.5Very high142 Ų14262.2 Ų62.276%0.75935%0.348SS*.THydrogen-bonded Turntrans-88.2-4.4178.2-62.5-60.2000112.8D865 F869D865-D867 PolarHBondContact O-N 2.87Å; D865-D867 PolarHBondContact OD1-N 2.9Å; D867-F869 HydrophobicContact CB-CD2 4.18Å
868G89.5Confident90.5Very high16 Ų1664 Ų6417%0.16535%0.346CS..SBendtrans90.216.1175.300000115.2D865 S883D865-G868 PolarHBondContact O-N 2.8Å; D865-G868 PolarHBondContact OD1-N 2.88Å; D865-G868 VanDerWaalsContact OD1-N 3.1Å; G868-S883 WeakPolarHBondContact O-CB 3.34Å; G868-S883 PolarHBondContact O-N 2.58Å; G868-S883 PolarHBondContact O-OG 3.2Å
869F91.9Very high90.4Very high39 Ų3964.2 Ų64.217%0.17135%0.348CS..EExtended strand (participates in β ladder)trans-100.2164.7175.3-66.9-105.3000111.5M864 D865 D867 L880 V881 P882M864-F869 CarbonylContact C-O 3.5Å; M864-F869 VanDerWaalsContact CA-O 3.31Å; M864-F869 WeakPolarHBondContact CA-O 3.45Å; M864-F869 WeakPolarHBondContact CG-O 3.28Å; D865-F869 VanDerWaalsContact CG-O 3.32Å; D865-F869 PolarHBondContact N-O 3.34Å; D865-F869 WeakPolarHBondContact OD1-CA 3.34Å; D865-F869 PolarHBondContact OD1-N 3.47Å; D865-F869 WeakPolarHBondContact OD2-CB 3.44Å; D867-F869 HydrophobicContact CB-CD2 4.18Å; F869-L880 HydrophobicContact CB-CB 4.43Å; F869-L880 HydrophobicContact CD1-CB 4.05Å; F869-V881 CarbonylContact C-O 3.58Å; F869-V881 WeakPolarHBondContact CA-O 3.44Å; F869-P882 HydrophobicContact CD1-CB 3.97Å; F869-P882 HydrophobicContact CE1-CB 3.77Å; F869-P882 HydrophobicContact CE1-CG 4.31Å; F869-P882 HydrophobicContact CZ-CB 4.39Å
870Y93.3Very high90.3Very high35 Ų3564.8 Ų64.814%0.13735%0.349CS..EExtended strand (participates in β ladder)trans-118.9138.8170.5-73.4-60.5000109H827 M829 V860 G863 M864 G872 L880 V881 S883 L886H827-Y870 AromaticContact CE1-CE1 3.92Å; M829-Y870 HydrophobicContact CE-CE2 4.03Å; M829-Y870 HydrophobicContact SD-CD2 4.32Å; M829-Y870 HydrophobicContact SD-CE2 3.89Å; V860-Y870 HydrophobicContact CG1-CD1 3.49Å; V860-Y870 VanDerWaalsContact CG1-CD1 3.49Å; V860-Y870 HydrophobicContact CG1-CE1 4.2Å; V860-Y870 HydrophobicContact CG1-CG 3.72Å; V860-Y870 HydrophobicContact CG2-CD2 4.36Å; V860-Y870 HydrophobicContact CG2-CG 4.09Å; G863-Y870 WeakPolarHBondContact O-CD1 3.29Å; M864-Y870 HydrophobicContact CB-CD1 4.01Å; M864-Y870 HydrophobicContact CB-CE1 3.5Å; M864-Y870 VanDerWaalsContact CB-CE1 3.5Å; M864-Y870 HydrophobicContact CG-CD1 4.26Å; M864-Y870 HydrophobicContact CG-CE1 3.95Å; Y870-G872 PolarHBondContact O-N 2.97Å; Y870-L880 CarbonylContact O-C 3.54Å; Y870-V881 PolarHBondContact N-O 3.48Å; Y870-V881 WeakPolarHBondContact O-CB 3.35Å; Y870-V881 PolarHBondContact O-N 2.83Å; Y870-S883 VanDerWaalsContact CE2-CB 3.41Å; Y870-L886 HydrophobicContact CD2-CD1 3.63Å; Y870-L886 HydrophobicContact CE2-CD1 4.17Å
871Y93.3Very high90.3Very high95 Ų9564.8 Ų64.837%0.37335%0.349SS..EExtended strand (participates in β ladder)trans-76.1110.1165.2-167.2-83000109.1F861 R878 L880F861-Y871 HydrophobicContact CB-CD1 4.41Å; F861-Y871 HydrophobicContact CD2-CD1 4.19Å; F861-Y871 PolarHBondContact N-O 2.9Å; Y871-R878 HydrophobicContact CE1-CB 4.09Å; Y871-R878 VanDerWaalsContact CE1-NH1 3.31Å; Y871-R878 WeakPolarHBondContact OH-CB 3.41Å; Y871-R878 PolarHBondContact OH-NH1 2.79Å; Y871-L880 HydrophobicContact CD2-CD2 4.42Å
872G93.6Very high90.4Very high0 Ų062.3 Ų62.30%034%0.339CS..EExtended strand (participates in β ladder)trans-120.9162.8-171.700000114.4T859 Y870 R878 G879T859-G872 CarbonylContact O-C 3.57Å; T859-G872 WeakPolarHBondContact O-CA 3.48Å; Y870-G872 PolarHBondContact O-N 2.97Å; G872-R878 VanDerWaalsContact O-CA 3.29Å; G872-R878 WeakPolarHBondContact O-CA 3.31Å; G872-G879 PolarHBondContact N-O 2.96Å; G872-G879 PolarHBondContact O-N 2.93Å
873E94.3Very high90.6Very high61 Ų6162.4 Ų62.429%0.28534%0.337SS..EExtended strand (participates in β ladder)trans-134131.5172.5-177.5172.4157.200111.3T859 F861 Q877 R878T859-E873 PolarHBondContact N-O 2.82Å; T859-E873 PolarHBondContact O-N 2.94Å; F861-E873 HydrophobicContact CE2-CB 3.59Å; F861-E873 HydrophobicContact CZ-CB 4.21Å; F861-E873 WeakPolarHBondContact CZ-OE2 3.48Å; E873-Q877 CarbonylContact C-O 3.59Å; E873-Q877 VanDerWaalsContact CA-O 3.25Å; E873-Q877 WeakPolarHBondContact CA-O 3.44Å; E873-Q877 WeakPolarHBondContact CG-O 3.32Å; E873-R878 HydrophobicContact CB-CG 4.2Å; E873-R878 HydrophobicContact CG-CG 3.91Å; E873-R878 IonicContact OE2-CZ 3.38Å; E873-R878 IonicContact OE2-NE 3.39Å; E873-R878 PolarHBondContact OE2-NE 2.95Å; E873-R878 IonicContact OE2-NH2 2.78Å; E873-R878 PolarHBondContact OE2-NH2 2.88Å
874L92.3Very high90.9Very high13 Ų1366.9 Ų66.97%0.06835%0.35CS..EExtended strand (participates in β ladder)trans-137.9129.7177.2-179.961.7000108.5L850 F852 D856 I858 G876 Q877L850-L874 HydrophobicContact CD1-CB 4.45Å; L850-L874 HydrophobicContact CD2-CB 3.75Å; L850-L874 HydrophobicContact CG-CB 4.3Å; F852-L874 HydrophobicContact CB-CD2 3.49Å; F852-L874 VanDerWaalsContact CB-CD2 3.49Å; D856-L874 HydrophobicContact CB-CD1 4Å; D856-L874 HydrophobicContact CB-CD2 3.89Å; I858-L874 HydrophobicContact CG1-CB 4.28Å; I858-L874 HydrophobicContact CG1-CD1 4.28Å; I858-L874 HydrophobicContact CG1-CD2 4.24Å; I858-L874 HydrophobicContact CG1-CG 4.5Å; L874-G876 PolarHBondContact O-N 3.21Å; L874-Q877 PolarHBondContact N-O 3.29Å; L874-Q877 PolarHBondContact O-N 3.35Å
875N88.6Confident91Very high150 Ų15064.7 Ų64.780%0.80234%0.338SS*.THydrogen-bonded Turntrans5321.6179.8-61-46000115.3Q877N875-Q877 VanDerWaalsContact C-N 3.35Å
876G86.8Confident91.1Very high56 Ų5663.1 Ų63.158%0.57733%0.329SS*.THydrogen-bonded Turntrans84.10.9-17600000115.1L874L874-G876 PolarHBondContact O-N 3.21Å
877Q89.3Confident91.3Very high121 Ų12161.2 Ų61.257%0.56532%0.315SS*.EExtended strand (participates in β ladder)trans-87.5140.8164.1-67.6178.5-27.200108.9L850 E873 L874 N875L850-Q877 HydrophobicContact CD1-CB 3.71Å; L850-Q877 WeakPolarHBondContact CD1-O 3.49Å; E873-Q877 CarbonylContact C-O 3.59Å; E873-Q877 VanDerWaalsContact CA-O 3.25Å; E873-Q877 WeakPolarHBondContact CA-O 3.44Å; E873-Q877 WeakPolarHBondContact CG-O 3.32Å; L874-Q877 PolarHBondContact N-O 3.29Å; L874-Q877 PolarHBondContact O-N 3.35Å; N875-Q877 VanDerWaalsContact C-N 3.35Å
878R92.7Very high91Very high120 Ų12056.5 Ų56.545%0.45330%0.3SS..EExtended strand (participates in β ladder)trans-125.2136.9-176.6-43-177.692.2-129.6-1.1109.2Y871 G872 E873Y871-R878 HydrophobicContact CE1-CB 4.09Å; Y871-R878 VanDerWaalsContact CE1-NH1 3.31Å; Y871-R878 WeakPolarHBondContact OH-CB 3.41Å; Y871-R878 PolarHBondContact OH-NH1 2.79Å; G872-R878 VanDerWaalsContact O-CA 3.29Å; G872-R878 WeakPolarHBondContact O-CA 3.31Å; E873-R878 HydrophobicContact CB-CG 4.2Å; E873-R878 HydrophobicContact CG-CG 3.91Å; E873-R878 IonicContact OE2-CZ 3.38Å; E873-R878 IonicContact OE2-NE 3.39Å; E873-R878 PolarHBondContact OE2-NE 2.95Å; E873-R878 IonicContact OE2-NH2 2.78Å; E873-R878 PolarHBondContact OE2-NH2 2.88Å
879G92.3Very high89.9Confident4 Ų459.6 Ų59.64%0.04132%0.317CS..EExtended strand (participates in β ladder)trans-174.8-178.4-177.500000112.6A848 G872A848-G879 CarbonylContact O-C 3.58Å; A848-G879 WeakPolarHBondContact O-CA 3.47Å; G872-G879 PolarHBondContact N-O 2.96Å; G872-G879 PolarHBondContact O-N 2.93Å
880L93.6Very high87.8Confident58 Ų5860.2 Ų60.230%0.30433%0.334SS..EExtended strand (participates in β ladder)trans-74.9141.5173.8-61.2177.5000110.8A848 E849 L850 F869 Y870 Y871A848-L880 PolarHBondContact O-N 3.27Å; E849-L880 WeakPolarHBondContact CA-O 3.43Å; E849-L880 HydrophobicContact CG-CB 4.28Å; L850-L880 PolarHBondContact N-O 3.45Å; F869-L880 HydrophobicContact CB-CB 4.43Å; F869-L880 HydrophobicContact CD1-CB 4.05Å; Y870-L880 CarbonylContact O-C 3.54Å; Y871-L880 HydrophobicContact CD2-CD2 4.42Å
881V93.4Very high85.4Confident0 Ų065 Ų650%037%0.369CS..EExtended strand (participates in β ladder)trans-135113.1-173.8178.80000108.5L850 F852 I858 F869 Y870 S883 L886L850-V881 HydrophobicContact CB-CG2 3.82Å; L850-V881 HydrophobicContact CD2-CG2 3.63Å; L850-V881 HydrophobicContact CG-CG2 4.36Å; F852-V881 HydrophobicContact CD1-CG1 4.41Å; F852-V881 HydrophobicContact CE1-CG1 3.7Å; F852-V881 HydrophobicContact CZ-CG1 4.12Å; I858-V881 HydrophobicContact CD1-CG1 4.15Å; I858-V881 HydrophobicContact CG2-CG2 4.14Å; F869-V881 CarbonylContact C-O 3.58Å; F869-V881 WeakPolarHBondContact CA-O 3.44Å; Y870-V881 PolarHBondContact N-O 3.48Å; Y870-V881 WeakPolarHBondContact O-CB 3.35Å; Y870-V881 PolarHBondContact O-N 2.83Å; V881-S883 PolarHBondContact O-N 3.29Å; V881-L886 HydrophobicContact CG1-CD1 3.65Å; V881-L886 HydrophobicContact CG1-CD2 3.67Å; V881-L886 HydrophobicContact CG1-CG 3.85Å
882P92.1Very high83.1Confident8 Ų869.2 Ų69.25%0.05239%0.392CS..EExtended strand (participates in β ladder)trans-66124.1-17725.2-34.2000111.4Y835 F869 N884 F885Y835-P882 HydrophobicContact CD1-CG 4.18Å; Y835-P882 HydrophobicContact CD2-CG 4.15Å; Y835-P882 HydrophobicContact CE1-CG 3.88Å; Y835-P882 HydrophobicContact CE2-CG 3.86Å; Y835-P882 HydrophobicContact CG-CG 4.3Å; F869-P882 HydrophobicContact CD1-CB 3.97Å; F869-P882 HydrophobicContact CE1-CB 3.77Å; F869-P882 HydrophobicContact CE1-CG 4.31Å; F869-P882 HydrophobicContact CZ-CB 4.39Å; P882-N884 PolarHBondContact O-N 3.39Å; P882-N884 VanDerWaalsContact O-N 3.16Å; P882-F885 HydrophobicContact CB-CD2 3.87Å; P882-F885 HydrophobicContact CB-CE2 4.36Å; P882-F885 HydrophobicContact CG-CB 4.39Å; P882-F885 HydrophobicContact CG-CD2 3.55Å; P882-F885 HydrophobicContact CG-CE2 4.08Å; P882-F885 HydrophobicContact CG-CG 4.11Å; P882-F885 PolarHBondContact O-N 3.4Å
883S90.8Very high80.5Confident22 Ų2274 Ų7415%0.15443%0.432CS..G310 helixtrans-56.9-35.1-174.559.80000113.8M864 G868 Y870 V881 F885 L886M864-S883 PolarHBondContact SD-OG 3.14Å; G868-S883 WeakPolarHBondContact O-CB 3.34Å; G868-S883 PolarHBondContact O-N 2.58Å; G868-S883 PolarHBondContact O-OG 3.2Å; Y870-S883 VanDerWaalsContact CE2-CB 3.41Å; V881-S883 PolarHBondContact O-N 3.29Å; S883-F885 PolarHBondContact O-N 3.29Å; S883-L886 PolarHBondContact O-N 3.47Å
884N91.9Very high77.7Confident139 Ų13975 Ų7574%0.74346%0.459SS*.G310 helixtrans-57.3-18.8177.9-67-54.7000114.5P882P882-N884 PolarHBondContact O-N 3.39Å; P882-N884 VanDerWaalsContact O-N 3.16Å
885F91Very high74.8Confident55 Ų5578.2 Ų78.224%0.24150%0.496CS..G310 helixtrans-97.7-2.9-179.8-70.8-109.2000112.9A831 A832 F833 Y835 F852 P882 S883A831-F885 CarbonylContact C-O 3.4Å; A831-F885 WeakPolarHBondContact CA-O 3.33Å; A832-F885 PolarHBondContact N-O 3.31Å; F833-F885 HydrophobicContact CB-CD1 3.94Å; F833-F885 HydrophobicContact CB-CE1 4.42Å; Y835-F885 AromaticContact CD2-CD1 3.91Å; Y835-F885 HydrophobicContact CD2-CD1 3.91Å; Y835-F885 HydrophobicContact CD2-CD2 4.42Å; Y835-F885 AromaticContact CD2-CE1 3.6Å; Y835-F885 HydrophobicContact CD2-CE1 3.6Å; Y835-F885 HydrophobicContact CD2-CE2 4.13Å; Y835-F885 HydrophobicContact CD2-CG 4.34Å; Y835-F885 AromaticContact CD2-CZ 3.72Å; Y835-F885 HydrophobicContact CD2-CZ 3.72Å; Y835-F885 HydrophobicContact CE2-CE1 4.39Å; Y835-F885 HydrophobicContact CE2-CE2 4.22Å; Y835-F885 HydrophobicContact CE2-CZ 4.05Å; Y835-F885 HydrophobicContact CG-CD1 4.34Å; Y835-F885 HydrophobicContact CG-CE1 4.42Å; F852-F885 HydrophobicContact CE2-CB 3.84Å; F852-F885 HydrophobicContact CZ-CB 3.67Å; F852-F885 HydrophobicContact CZ-CG 4.31Å; P882-F885 HydrophobicContact CB-CD2 3.87Å; P882-F885 HydrophobicContact CB-CE2 4.36Å; P882-F885 HydrophobicContact CG-CB 4.39Å; P882-F885 HydrophobicContact CG-CD2 3.55Å; P882-F885 HydrophobicContact CG-CE2 4.08Å; P882-F885 HydrophobicContact CG-CG 4.11Å; P882-F885 PolarHBondContact O-N 3.4Å; S883-F885 PolarHBondContact O-N 3.29Å
886L91.9Very high72.6Confident19 Ų1979.9 Ų79.910%0.09950%0.503CS..EExtended strand (participates in β ladder)trans-109.7131.9-177.3-53.5-170.5000112.5M829 V830 F852 I858 V860 Y870 V881 S883M829-L886 HydrophobicContact CB-CB 4.19Å; M829-L886 HydrophobicContact CB-CD1 3.97Å; M829-L886 HydrophobicContact CE-CB 3.74Å; M829-L886 HydrophobicContact CE-CD1 4.26Å; M829-L886 HydrophobicContact SD-CB 4.43Å; M829-L886 HydrophobicContact SD-CD1 3.91Å; V830-L886 WeakPolarHBondContact O-CA 3.4Å; F852-L886 HydrophobicContact CZ-CD2 4.42Å; I858-L886 HydrophobicContact CD1-CD2 3.82Å; V860-L886 HydrophobicContact CG2-CD1 3.89Å; Y870-L886 HydrophobicContact CD2-CD1 3.63Å; Y870-L886 HydrophobicContact CE2-CD1 4.17Å; V881-L886 HydrophobicContact CG1-CD1 3.65Å; V881-L886 HydrophobicContact CG1-CD2 3.67Å; V881-L886 HydrophobicContact CG1-CG 3.85Å; S883-L886 PolarHBondContact O-N 3.47Å
887E90.2Very high70.1Confident133 Ų13385 Ų8562%0.62152%0.518SS*.EExtended strand (participates in β ladder)trans-95.3137.6165-167.2166.7-165.400109.9V830 A832V830-E887 PolarHBondContact N-O 3.08Å; V830-E887 PolarHBondContact O-N 2.87Å; A832-E887 HydrophobicContact CB-CB 4.39Å
888G79.3Confident67.8Low43 Ų4389.2 Ų89.244%0.44353%0.528SS..PPolyproline II helixtrans-67.2147.3176.400000111.5G890G888-G890 PolarHBondContact O-N 3.37Å; G888-G890 VanDerWaalsContact O-N 3.11Å
889P65.4Low64.9Low80 Ų8091 Ų9152%0.51954%0.542SS..PPolyproline II helixtrans-63.9117.1178.429.5-36.2000109.9S828S828-P889 WeakPolarHBondContact O-CB 3.3Å; S828-P889 VanDerWaalsContact O-CD 3.27Å; S828-P889 WeakPolarHBondContact O-CD 3.43Å; S828-P889 WeakPolarHBondContact O-CG 3.39Å
890G47Very low62.9Low52 Ų5295.5 Ų95.554%0.53657%0.57SS.*PPolyproline II helixtrans-56.8142.8174.200000111.4G888 E892G888-G890 PolarHBondContact O-N 3.37Å; G888-G890 VanDerWaalsContact O-N 3.11Å; G890-E892 VanDerWaalsContact C-N 3.25Å; G890-E892 PolarHBondContact O-N 3.47Å
891P44.3Very low59.8Low135 Ų135104.7 Ų104.788%0.87760%0.601SS**  trans-74.870.4-173.230.7-36.4000113.2A893P891-A893 PolarHBondContact O-N 2.95Å
892E43.9Very low56.9Low184 Ų184110.6 Ų110.686%0.8664%0.637SS**  trans-85.480.5-177.7-82.1-66.7133.900113.2G890G890-E892 VanDerWaalsContact C-N 3.25Å; G890-E892 PolarHBondContact O-N 3.47Å
893A39.9Very low54.1Low100 Ų100116.4 Ų116.483%0.82668%0.675SS**  trans178.8116.7144.900000111.4P891P891-A893 PolarHBondContact O-N 2.95Å
894G35Very low51.2Low83 Ų83124.7 Ų124.786%0.85671%0.711SS**  cis173.7160.2-7.500000111.4
895G30.8Very low48.5Very low81 Ų81122.2 Ų122.284%0.83571%0.71SS**  trans-178.7124.9177.100000112.3
896L42.7Very low45.6Very low184 Ų184128.8 Ų128.896%0.96374%0.741SS**  trans-95.4112.1-178.1-74.9164.5000111.6
897D34.8Very low42.8Very low165 Ų165132.7 Ų132.788%0.88277%0.77SS**  trans-156.6173.8137.5-146.1-15.9000111.5
898R40.1Very low40.2Very low209 Ų209135.3 Ų135.379%0.78978%0.783SS**  trans-100.4132.3-160.6-103.8176.3150.5173-4.3116.3
899E32.6Very low38Very low158 Ų158143.9 Ų143.974%0.73880%0.802SS**  trans53.6165.3136.9-85.7-165.369.200121.3
900P50.8Low36.5Very low98 Ų98146.1 Ų146.164%0.63681%0.814SS**  cis-131.4156-41.135.1-20.7000112.1
901R27.7Very low36Very low250 Ų250155 Ų15594%0.94383%0.831SS**  trans-154.6137.7151.6-115.4159.1-161.9-1794.9114.2
902T31.7Very low35.6Very low124 Ų124159.9 Ų159.976%0.76183%0.832SS**  trans-38.5148.2-178.745.70000117.5
903P34.7Very low35.3Very low131 Ų131162.9 Ų162.985%0.85184%0.835SS**  trans-69.9144171.432.1-35.3000111.4
904Q29.7Very low35.1Very low195 Ų195168.5 Ų168.591%0.91184%0.835SS**  trans-106.5131.9158.7-174.5169.7-24.600108.1
905A34.4Very low35.3Very low87 Ų87171.1 Ų171.172%0.71984%0.835SS**  trans-97.4132.4-174.500000111.5
906E31.7Very low35.7Very low193 Ų193175 Ų17590%0.90283%0.831SS**  trans-108.8105.2148.3-78.9-163.289.200108.7Q908E906-Q908 PolarHBondContact O-N 3.08Å
907S31.3Very low35.6Very low101 Ų101176 Ų17671%0.70685%0.851SS**  trans-92.996.8175.9-174.20000108.6R909S907-R909 VanDerWaalsContact C-N 3.27Å; S907-R909 PolarHBondContact O-N 3.39Å
908Q36.6Very low35.6Very low188 Ų188176.6 Ų176.688%0.87985%0.849SS**  trans-66.393.5165-73.3-155.94.600108.9E906 T910E906-Q908 PolarHBondContact O-N 3.08Å; Q908-T910 PolarHBondContact O-N 3.48Å
909R32.9Very low35.4Very low224 Ų224174.8 Ų174.885%0.84585%0.852SS**  trans-84.379.5-163.6-167.2-178.3-169.2-177.84.6110.7S907 R911S907-R909 VanDerWaalsContact C-N 3.27Å; S907-R909 PolarHBondContact O-N 3.39Å; R909-R911 PolarHBondContact O-N 3.11Å
910T34.9Very low35.5Very low126 Ų126175.8 Ų175.877%0.77386%0.859SS**  trans-50.7113.4175.445.50000110.6Q908 R912Q908-T910 PolarHBondContact O-N 3.48Å; T910-R912 VanDerWaalsContact C-N 3.3Å; T910-R912 PolarHBondContact O-N 3.04Å
911R35.1Very low34.6Very low240 Ų240180.4 Ų180.491%0.90687%0.872SS**  trans-82.372.2-164.3-166.4-179-174.6-1742.5110.8R909 R913R909-R911 PolarHBondContact O-N 3.11Å; R911-R913 PolarHBondContact O-N 2.85Å
912R36.3Very low35.1Very low237 Ų237176 Ų17689%0.89487%0.867SS**  trans-46.5104.8174.2-77.9-172.8167.2-154.8-5.5110.7T910 R914T910-R912 VanDerWaalsContact C-N 3.3Å; T910-R912 PolarHBondContact O-N 3.04Å; R912-R914 PolarHBondContact O-N 3.06Å; R912-R914 VanDerWaalsContact O-N 3.09Å
913R38.4Very low35.3Very low246 Ų246179.5 Ų179.593%0.92887%0.874SS**  trans-65.1106.8164.6-90.2-174.1167.8-176.4-3.2107.1R911 V915R911-R913 PolarHBondContact O-N 2.85Å; R913-V915 PolarHBondContact O-N 3.36Å
914R34.7Very low35.3Very low219 Ų219182.9 Ų182.983%0.82688%0.876SS**  trans-77.8111.4170.2174.5-175.3-85.7-177.1-7.7107.2R912 Q916R912-R914 PolarHBondContact O-N 3.06Å; R912-R914 VanDerWaalsContact O-N 3.09Å; R914-Q916 HydrophobicContact CG-CG 4.43Å; R914-Q916 PolarHBondContact O-N 3.36Å
915V40Very low35.8Very low138 Ų138182 Ų18284%0.83687%0.873SS**  trans-59.9128162.6-1790000107.6R913R913-V915 PolarHBondContact O-N 3.36Å
916Q39.5Very low35.9Very low163 Ų163189.9 Ų189.976%0.76289%0.886SS**  trans-108.6155.2159.8-69-167.1-98.300107.9R914R914-Q916 HydrophobicContact CG-CG 4.43Å; R914-Q916 PolarHBondContact O-N 3.36Å
917C39Very low36.2Very low204 Ų204189.6 Ų189.6100%1.37889%0.885SS**  trans-61.80-177.1-48.80000112.9

Retrieved 917 of 917 residues in 258.8 ms (Link to these results)