A0A077ZNL3_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZNL3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 667 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
1Q51.9Low47.4Very low244 Ų244130.6 Ų130.6100%1.1478%0.778SS**  078.70-62.1176.5-1.100106.2
2A38.2Very low47.2Very low86 Ų86125.8 Ų125.871%0.71178%0.776SS**  77.8109.263.800000110.9
3T44.6Very low47.3Very low128 Ų128132.8 Ų132.879%0.78579%0.789SS**  54125.591.731.50000114.3
4T45.9Very low47.1Very low112 Ų112138.1 Ų138.169%0.68780%0.801SS**  cis-137.9-120.6-8-23.80000112.1
5Q49.4Very low47Very low155 Ų155134.2 Ų134.272%0.72480%0.802SS**  cis-159.3143.7-1-148.3117.2-23.900111.5
6S45.3Very low46.8Very low109 Ų109130.1 Ų130.176%0.76280%0.796SS**  trans27.2154.7134.3-59.30000123.5
7A49.6Very low47.1Very low77 Ų77133.8 Ų133.864%0.63680%0.799SS**  cis-173.3170.6-13.900000111.5
8S49.2Very low47.2Very low113 Ų113135.2 Ų135.279%0.7980%0.795SS**  trans61.8154.215654.30000118.9
9S46.6Very low47.2Very low106 Ų106133.7 Ų133.774%0.74179%0.788SS**  cis-136.7145.518.7-71.40000111.2
10K51.6Low47.4Very low193 Ų193137.4 Ų137.484%0.83979%0.794SS**  68.6146.765.4-100.6-168.8175.1-178.20114.3
11P49.3Very low47.1Very low114 Ų114134.3 Ų134.374%0.7479%0.791SS**  -146.7155.2-50.435.6-15.9000117.6
12G44.9Very low47.4Very low73 Ų73128.5 Ų128.575%0.75378%0.775SS**  trans78.9152.2132.500000122.8
13K48.3Very low48Very low217 Ų217134.3 Ų134.394%0.94378%0.784SS**  -178.2153.6124.7-98.7174.5-177.7-178.80111.9
14H45.1Very low47.8Very low207 Ų207136.1 Ų136.196%0.95879%0.789SS**  trans-108.5153.9-178.8-102.5-87.7000112.6
15G44.9Very low47.9Very low79 Ų79136.6 Ų136.681%0.81480%0.797SS**  trans165149.1162.700000111.2
16G43.7Very low47.5Very low69 Ų69134.7 Ų134.771%0.71180%0.801SS**  cis154.3161.8-7.300000112.3
17K52.2Low48.1Very low193 Ų193135.1 Ų135.184%0.83980%0.801SS**  trans77.5152.5172.4-52.2-175.3-179.7179.20115.8
18H49.7Very low47.9Very low158 Ų158137.8 Ų137.873%0.73181%0.809SS**  cis-150.4-158.6-6.3-118.3-168000113.3
19T47.2Very low47.9Very low108 Ų108139 Ų13966%0.66381%0.812SS**  trans-142.2-176.7-139.953.10000117.6
20K50.2Low47.8Very low207 Ų207138.5 Ų138.590%0.981%0.814SS**  trans95.1152.2167.5-53.4169.9-175.1-179.20116.2
21G42.2Very low47.5Very low72 Ų72139.1 Ų139.174%0.74281%0.811SS**  cis-173.7173.7-4.400000114.3
22P56.8Low47.8Very low123 Ų123138.4 Ų138.480%0.79981%0.806SS**  trans-130.2-177.7-163.644.1-30.8000117.1
23K50.8Low48.2Very low208 Ų208140.5 Ų140.590%0.90480%0.797SS**  trans-175.8168.6146.7-103.6158.6-173.6-175.40116.3
24N40.6Very low48.1Very low166 Ų166135.9 Ų135.989%0.88879%0.787SS**  trans-135.1161-174.2-87.6-1.4000112.7
25S47.7Very low48.5Very low122 Ų122132.6 Ų132.685%0.85378%0.782SS**  trans-161.7165.9157.744.60000113.9
26S41.4Very low48.5Very low115 Ų115132.2 Ų132.280%0.80478%0.778SS**  trans-128.5-158-170-47.60000110.8
27P58.7Low48.5Very low117 Ų117139.5 Ų139.576%0.7679%0.79SS**  cis-143.3175.3-9.141.2-20.1000119.1
28T44.9Very low48Very low133 Ų133134.4 Ų134.482%0.81679%0.792SS**  trans16.5140.4146.8-430000126.3
29T48.9Very low47.6Very low140 Ų140130.3 Ų130.386%0.85979%0.792SS**  trans-164.1159.5157.4-70.60000112.4
30A45Very low47.3Very low94 Ų94130.7 Ų130.778%0.77780%0.799SS**  trans-165179.6179.900000117.5
31R45.3Very low47.1Very low207 Ų207126.2 Ų126.278%0.78179%0.794SS**  trans76.8167.2173.6-115.6-165.8143.9145.8-13.7117.2E33R31-E33 IonicContact CZ-OE2 3.25Å; R31-E33 VanDerWaalsContact CZ-OE2 3.25Å; R31-E33 IonicContact NE-OE1 3.02Å; R31-E33 PolarHBondContact NE-OE1 2.75Å; R31-E33 IonicContact NE-OE2 3.03Å; R31-E33 PolarHBondContact NE-OE2 3.28Å; R31-E33 IonicContact NH2-OE1 3.55Å; R31-E33 IonicContact NH2-OE2 2.68Å; R31-E33 PolarHBondContact NH2-OE2 3.02Å; R31-E33 IonicContact CZ-OE1 3.7Å
32P56.4Low47.3Very low98 Ų98127.2 Ų127.264%0.63679%0.79SS**  cis-136.8167.6-6.939.2-19.6000119.5
33E53.1Low46.8Very low117 Ų117131.1 Ų131.155%0.54779%0.794SS.*  trans41.9161.3148.8-71.177.2-79.500122R31R31-E33 IonicContact CZ-OE2 3.25Å; R31-E33 VanDerWaalsContact CZ-OE2 3.25Å; R31-E33 IonicContact NE-OE1 3.02Å; R31-E33 PolarHBondContact NE-OE1 2.75Å; R31-E33 IonicContact NE-OE2 3.03Å; R31-E33 PolarHBondContact NE-OE2 3.28Å; R31-E33 IonicContact NH2-OE1 3.55Å; R31-E33 IonicContact NH2-OE2 2.68Å; R31-E33 PolarHBondContact NH2-OE2 3.02Å; R31-E33 IonicContact CZ-OE1 3.7Å
34T45.9Very low46.4Very low121 Ų121125.4 Ų125.474%0.74279%0.786SS**  cis86149.514.878.20000117.2
35T52.2Low46.8Very low138 Ų138123.7 Ų123.785%0.84778%0.782SS**  cis-162.9166.121.9-28.50000112.9
36G45.9Very low46.6Very low71 Ų71126.2 Ų126.273%0.73278%0.78SS**  trans-172.7149.617000000117.6
37K43.1Very low46.7Very low222 Ų222125.1 Ų125.197%0.96577%0.772SS**  trans-160.3161.2-175.5-79.8-171.8177.2-178.30114.9
38G41.6Very low46Very low85 Ų85124.8 Ų124.888%0.87677%0.768SS**  trans116155.6154.600000116.9
39G42.8Very low45.8Very low72 Ų72127.5 Ų127.574%0.74277%0.772SS**  cis170.4122.9-11.700000117.5
40S40.4Very low45.3Very low116 Ų116124.3 Ų124.381%0.81177%0.767SS**  trans55.6141130.4-50.70000127.8
41S46Very low45.1Very low114 Ų114126.1 Ų126.180%0.79777%0.773SS**  trans82.2169.5140.680.60000119.7
42S46.6Very low44.8Very low93 Ų93119.9 Ų119.965%0.6577%0.773SS**  cis-164.7147.59.2-143.20000116
43K45.7Very low44Very low205 Ų205120.7 Ų120.789%0.89178%0.781SS**  trans64166153.4-72-178.5174.2-174.20120.5
44A42.6Very low43.4Very low88 Ų88120.8 Ų120.873%0.72780%0.795SS**  cis-123.1-154.1-0.600000110.8
45T48.5Very low43Very low130 Ų130125 Ų12580%0.79880%0.803SS**  cis-155173.41.9-21.20000105.7
46Q44.3Very low42.4Very low175 Ų175122.8 Ų122.882%0.81879%0.793SS**  cis73.1130.620.5-94.8-175.1-30.700117.7
47S42.8Very low42.2Very low92 Ų92125.3 Ų125.364%0.64380%0.795SS**  cis-164.1174.72.7-153.90000109.2
48T43.4Very low42.1Very low110 Ų110119.5 Ų119.568%0.67579%0.788SS**  cis-157.8178.13.8-29.70000110
49E41.9Very low42Very low190 Ų190125.7 Ų125.789%0.88879%0.791SS**  trans62.8140157.5-74.6163.8-136.200121.3
50G37.7Very low42Very low73 Ų73129 Ų12975%0.75380%0.797SS**  cis168.167.3-7.800000118.5
51S41.2Very low42.3Very low131 Ų131130.3 Ų130.392%0.91679%0.79SS**  trans-172.2163.215947.60000113.6
52G37.8Very low42.2Very low76 Ų76131.2 Ų131.278%0.78479%0.793SS**  trans103.877.4156.200000120.2
53S39.9Very low42.2Very low115 Ų115131.9 Ų131.980%0.80479%0.794SS**  trans20.4117.2148-173.70000121.9
54S40.3Very low41.8Very low119 Ų119131.8 Ų131.883%0.83280%0.796SS**  -174.9133.8119.7-820000114
55K38.9Very low41.9Very low211 Ų211131.3 Ų131.392%0.91780%0.799SS**  trans-156.8155.4173.9-120176.3-178.7174.30107.2
56S38.5Very low41.3Very low91 Ų91132.9 Ų132.964%0.63680%0.803SS**  cis-160.9152.618.4520000113.6
57T43.1Very low41.1Very low124 Ų124131.5 Ų131.576%0.76181%0.806SS**  trans38.9110144.558.20000119.5
58A40.1Very low40.8Very low100 Ų100132.7 Ų132.783%0.82681%0.81SS**  80.7119.560.800000116.3
59K40.7Very low40.5Very low215 Ų215132.5 Ų132.594%0.93581%0.812SS**  trans-158.9147.4149.9-111.7174.2-177.3176.70108.9
60T42.3Very low40.2Very low142 Ų142128.7 Ų128.787%0.87181%0.807SS**  trans-103149.9-165.9-410000112.8
61E47Very low40.2Very low143 Ų143130.1 Ų130.167%0.66881%0.805SS**  trans-65.2164173.2-67.5175.578.100114.5T63E61-T63 PolarHBondContact OE1-OG1 2.64Å; E61-T63 WeakPolarHBondContact OE1-CG2 3.32Å
62P43.1Very low40.2Very low133 Ų133129.6 Ų129.686%0.86480%0.802SS**  trans-121.4113.9134.934.1-23.1000111.1
63T46.1Very low40.3Very low107 Ų107135.7 Ų135.766%0.65681%0.81SS**  trans-113.2113.9-179.61.20000111.4E61E61-T63 PolarHBondContact OE1-OG1 2.64Å; E61-T63 WeakPolarHBondContact OE1-CG2 3.32Å
64H38.6Very low40.1Very low203 Ų203134.1 Ų134.194%0.9481%0.811SS**  trans-107.2131.1158.5-90.3-78.7000107.9
65G43.5Very low40Very low77 Ų77134 Ų13479%0.79481%0.81SS**  trans-133.1126.2172.800000110.5
66D35.9Very low40.1Very low164 Ų164128.7 Ų128.788%0.87780%0.8SS**  trans-72.7159163.2-63.3-66.6000110.4
67V39.8Very low40.1Very low145 Ų145131.8 Ų131.888%0.87981%0.805SS**  -171.7152.7127.5141.10000111
68T36.9Very low39.9Very low118 Ų118134.3 Ų134.372%0.72481%0.808SS**  trans-75.7146.4-160.841.10000118.7
69S36.4Very low39.8Very low105 Ų105133.4 Ų133.473%0.73480%0.8SS**  trans61.8114.2134.6-56.30000121.5
70S36.5Very low39.7Very low111 Ų111129.2 Ų129.278%0.77679%0.793SS**  171.8153.799.3-73.40000114.4
71S37.5Very low39.4Very low102 Ų102127.5 Ų127.571%0.71378%0.782SS**  trans48.9117.3151.858.40000122.4
72S41Very low38.9Very low121 Ų121129.2 Ų129.285%0.84679%0.79SS**  76.9139.3126.2-56.80000122.4
73Q39.3Very low38.3Very low204 Ų204128.7 Ų128.795%0.95379%0.79SS**  trans-45.4131179.3-58.9164.8-68.700116
74G37Very low37.7Very low81 Ų81128.6 Ų128.684%0.83580%0.8SS**  trans-174.2123.7165.500000110.9
75S38.6Very low37.5Very low116 Ų116124.1 Ų124.181%0.81179%0.791SS**  trans-98.1136.1-176.456.80000112.9
76S40.1Very low37Very low100 Ų100126 Ų12670%0.69979%0.793SS**  176.9162.2112.953.20000113.4
77Q38.2Very low37.1Very low157 Ų157128.2 Ų128.273%0.73479%0.794SS**  trans66.298.9167.1-42.6-158.434.500116
78Q39.6Very low37.3Very low177 Ų177127.5 Ų127.583%0.82779%0.793SS**  98.4138.991-86.3-179.131.400110.8
79A37.3Very low37.2Very low81 Ų81125.4 Ų125.467%0.66980%0.795SS**  cis-148.1151.36.100000112.7
80T39.3Very low37.4Very low127 Ų127129.9 Ų129.978%0.77980%0.801SS**  trans30140.1143.1-3.70000120.6
81T36.2Very low37.8Very low106 Ų106134.2 Ų134.265%0.6581%0.808SS**  cis-163.3132.433.8-43.20000114.7
82Q35.6Very low37.9Very low179 Ų179133 Ų13384%0.83681%0.811SS**  trans44.6118.8148.3-60.6166.74.300123.2
83S30.6Very low38Very low121 Ų121130.4 Ų130.485%0.84680%0.804SS**  trans-54.6150.7150.2-29.80000114.6
84A33.5Very low38.2Very low105 Ų105130.1 Ų130.187%0.86880%0.8SS**  trans-160.3151.414200000112
85S35Very low38.5Very low109 Ų109135.2 Ų135.276%0.76280%0.801SS**  trans-98.7137.3175.856.40000112.5
86S32.9Very low38.5Very low118 Ų118135.2 Ų135.283%0.82580%0.796SS**  trans172.2156.4137.8-84.40000113.4
87K38.7Very low38.8Very low209 Ų209139.8 Ų139.891%0.90980%0.804SS**  trans-82.9132.9178.2-63.7176-180175.10112.8
88P43.2Very low38.6Very low131 Ų131135.6 Ų135.685%0.85180%0.803SS**  -119.9174.4124.836.3-29000109.7
89G35.6Very low38.8Very low74 Ų74132.9 Ų132.976%0.76380%0.8SS**  cis-165.2161.9-1.400000109.4
90K40.1Very low39.1Very low199 Ų199138.8 Ų138.887%0.86581%0.811SS**  trans-90155.2-173.3-57.7163.9179168.70112.1
91H43.9Very low39Very low202 Ų202140.6 Ų140.694%0.93582%0.816SS**  trans173.9144.3138.6-95.4-77000107.3
92G39.9Very low39.2Very low75 Ų75140.8 Ų140.877%0.77382%0.821SS**  cis178.9168.9-8.600000107.9
93G42.9Very low39.3Very low67 Ų67137.8 Ų137.869%0.69182%0.82SS**  cis-114.1-174.7-7.600000112.3
94K44.6Very low40.1Very low199 Ų199138.2 Ų138.287%0.86582%0.82SS**  cis64128.849.6-58.3-176.4-180179.30111.1
95H42.8Very low40.5Very low187 Ų187138.9 Ų138.987%0.86681%0.814SS**  cis-123.1157.646.7-88.4-117.8000117.8
96T39.1Very low40.8Very low116 Ų116140.1 Ų140.171%0.71282%0.817SS**  trans-95169.8165.9500000109.5
97K46.3Very low41.1Very low196 Ų196139.5 Ų139.585%0.85282%0.819SS**  cis-160.5153.948.7-57.5164.9-174.5170.20111.5
98G34Very low41Very low69 Ų69138.1 Ų138.171%0.71181%0.808SS**  trans-99.7-144.2153.200000109.9
99P42.5Very low41.1Very low120 Ų120137.4 Ų137.478%0.77980%0.804SS**  cis-128171.4-2940.5-27.9000112
100K44.5Very low41.4Very low205 Ų205139.9 Ų139.989%0.89180%0.795SS**  trans-174.2144.2152-105.8149.1-172.3179.60113.5
101N37.2Very low41.2Very low166 Ų166135.7 Ų135.789%0.88879%0.786SS**  trans-94.2120.1167.3-73.1-11.1000110.2
102S40.1Very low41.1Very low109 Ų109132.8 Ų132.876%0.76278%0.783SS**  trans-175.9120.5151.850.40000110.4
103S38.3Very low41Very low116 Ų116132.2 Ų132.281%0.81178%0.777SS**  trans-70.7150.2173.7-48.20000112
104P48Very low40.9Very low130 Ų130139.2 Ų139.284%0.84479%0.789SS**  trans-112.5150133.434.1-30.8000110.9
105T40.9Very low40.5Very low119 Ų119133.8 Ų133.873%0.7379%0.79SS**  trans-104.3151.9-175.7-45.70000110.5
106T40.4Very low40.2Very low136 Ų136128.2 Ų128.283%0.83478%0.783SS**  trans61112.2160.329.50000119.2
107A40.6Very low40.2Very low105 Ų105128.7 Ų128.787%0.86879%0.791SS**  -144.8144.7118.400000109.3
108R35.7Very low40Very low180 Ų180124 Ų12468%0.67978%0.783SS**  trans-148.5127175.7172.4177.6175.6-105.9-1.2108.7E110R108-E110 VanDerWaalsContact CZ-CD 3.49Å; R108-E110 IonicContact CZ-OE1 2.75Å; R108-E110 IonicContact NH1-OE1 3.22Å; R108-E110 PolarHBondContact NH1-OE1 3.28Å; R108-E110 IonicContact NH1-OE2 3.02Å; R108-E110 IonicContact NH2-OE1 3.68Å; R108-E110 PolarHBondContact NH2-OE1 3.4Å
109P46.6Very low40.4Very low116 Ų116126.3 Ų126.375%0.75379%0.788SS**  trans-109.4152.4130.1-10.630.5000109.2
110E41.6Very low40.3Very low125 Ų125129.9 Ų129.958%0.58479%0.791SS**  cis62.1125.628.1-66.6-162.2158.300115.1R108R108-E110 VanDerWaalsContact CZ-CD 3.49Å; R108-E110 IonicContact CZ-OE1 2.75Å; R108-E110 IonicContact NH1-OE1 3.22Å; R108-E110 PolarHBondContact NH1-OE1 3.28Å; R108-E110 IonicContact NH1-OE2 3.02Å; R108-E110 IonicContact NH2-OE1 3.68Å; R108-E110 PolarHBondContact NH2-OE1 3.4Å
111T34.6Very low40Very low111 Ų111124.3 Ų124.368%0.68178%0.783SS**  cis-171.8171-24.8-1.20000105.6
112T43.2Very low40.2Very low141 Ų141122.3 Ų122.387%0.86578%0.777SS**  trans77.5137.7172.4-30.90000114.3
113G38.2Very low40.2Very low64 Ų64126 Ų12666%0.6678%0.782SS**  cis162.7177-11.100000113.6
114K40.1Very low40.1Very low213 Ų213125.9 Ų125.993%0.92678%0.782SS**  trans80.6126.8173.4-54.4-178.5178.4-179.40118.8
115G35Very low39.6Very low86 Ų86126.6 Ų126.689%0.88778%0.784SS**  trans82.4128.9153.900000117.4
116G37.5Very low39.4Very low70 Ų70124.6 Ų124.672%0.72279%0.787SS**  cis170.9153.9-11.300000112.5
117S39.9Very low39.2Very low126 Ų126123.6 Ų123.688%0.88179%0.785SS**  trans50134.4158-62.70000120.6
118S41Very low39.2Very low98 Ų98124.9 Ų124.969%0.68579%0.788SS**  cis-170.1161.82.3530000112.4
119S41.7Very low39.1Very low116 Ų116120 Ų12081%0.81179%0.794SS**  trans64.6140.4148-65.90000119.6
120K40.7Very low38.6Very low195 Ų195120.7 Ų120.785%0.84880%0.802SS**  cis-162.3144.86.6-167.8-178.1-178.8-1790111.3
121A39.9Very low38.4Very low88 Ų88119.8 Ų119.873%0.72781%0.809SS**  trans62.8163.315800000118
122T41.2Very low38.5Very low125 Ų125123.7 Ų123.777%0.76782%0.817SS**  cis-174.1143.3-23.4-86.20000105.3
123Q40.1Very low38Very low185 Ų185121.9 Ų121.986%0.86481%0.81SS**  cis-136.4-162.15.8-149.1175.5-0.700109.7
124S35Very low38Very low114 Ų114125.2 Ų125.280%0.79782%0.818SS**  trans-123.9142.6176.1-62.80000113.8
125T38Very low37.8Very low145 Ų145119 Ų11989%0.8981%0.806SS**  trans-79.7158.8156.546.40000110.7
126G36.9Very low38Very low77 Ų77124.2 Ų124.279%0.79481%0.805SS**  trans-165.7113.7176.700000112.6
127S35.9Very low38.1Very low115 Ų115127.2 Ų127.280%0.80481%0.809SS**  trans-121.4165.5-178.5-69.70000111.8
128S39.7Very low38Very low132 Ų132129.3 Ų129.392%0.92381%0.805SS**  trans73.1152.9178.980.50000115.7
129G34.2Very low37.9Very low79 Ų79130.5 Ų130.581%0.81481%0.81SS**  trans-158.5-179.2-174.400000113.1
130S35.7Very low38.1Very low130 Ų130131.4 Ų131.491%0.90981%0.811SS**  trans-151170.2176.4-167.80000110.5
131S37.1Very low38.1Very low106 Ų106130.9 Ų130.974%0.74181%0.811SS**  trans-109.6163.2-154.6-47.10000116.9
132K36.8Very low37.9Very low192 Ų192129.9 Ų129.984%0.83581%0.809SS**  trans90.4100.3157.5-67.3-176.5174.4178.60119.9
133S33.1Very low37.7Very low104 Ų104131.2 Ų131.273%0.72781%0.812SS**  47.3135.7119.670.30000119.9
134T38.1Very low37.7Very low134 Ų134129 Ų12982%0.82281%0.811SS**  cis-158.6165.937.647.30000111.8
135A37.1Very low37.8Very low83 Ų83129 Ų12969%0.68681%0.806SS**  cis177.2172.4-22.600000108.5
136K37.6Very low37.8Very low195 Ų195127.4 Ų127.485%0.84880%0.801SS**  trans74.5145.7-178.2-56.4-164.7174.1-158.30113.8
137T39.4Very low38Very low133 Ų133129 Ų12982%0.81680%0.8SS**  cis-115.5178.824.1-55.50000114.1
138E39.4Very low38.2Very low169 Ų169128.6 Ų128.679%0.7980%0.797SS**PPolyproline II helixtrans-80.7158.1-165-70.8150.4117.200116.3
139P37.9Very low38.2Very low123 Ų123127.5 Ų127.580%0.79979%0.789SS**PPolyproline II helixtrans-97160.416638.7-33.1000113.1
140T45.3Very low38.4Very low136 Ų136133.4 Ų133.483%0.83480%0.795SS**PPolyproline II helixtrans-88.5160.2178.7-33.70000113.1
141H41.3Very low38.7Very low184 Ų184131.1 Ų131.185%0.85279%0.792SS**PPolyproline II helixtrans-59.8162.5171.6-56.2-101.4000113.1
142G36.1Very low38.8Very low66 Ų66131.9 Ų131.968%0.6880%0.798SS**  cis127.9122-4.600000113.8
143D37.3Very low38.9Very low154 Ų154127.4 Ų127.482%0.82479%0.791SS**  trans-164.2161.2174.2-100.2-41.8000107.4
144V39Very low39.1Very low138 Ų138130.6 Ų130.684%0.83679%0.794SS**  cis-129.715816.6174.20000111.1
145T38Very low38.8Very low115 Ų115132.8 Ų132.871%0.70680%0.795SS**  trans-94.6156-174.7-47.10000114.4
146S38.8Very low38.6Very low111 Ų111133.6 Ų133.678%0.77680%0.802SS**  trans-163.2123.5140.4-85.10000113.6
147S40.5Very low38.3Very low110 Ų110131 Ų13177%0.76980%0.802SS**  trans43.5137.7144.2-54.20000120.9
148S39.4Very low37.9Very low107 Ų107130.5 Ų130.575%0.74880%0.799SS**  cis177.7159.66.1420000108.4
149S40.5Very low37.8Very low108 Ų108131.6 Ų131.676%0.75581%0.805SS**  cis-171.2-176.2-11.7-90.70000109
150Q38.2Very low37.4Very low203 Ų203131.5 Ų131.595%0.94981%0.807SS**  trans77118.9173.9-59-166.7-2400117.7
151G41.7Very low36.9Very low82 Ų82129.7 Ų129.785%0.84581%0.805SS**  trans15355.6177.200000115.1
152S39.7Very low36.6Very low123 Ų123126.1 Ų126.186%0.8680%0.801SS**  trans-79.6160.3169.851.20000110.9
153S39.4Very low36.7Very low98 Ų98127.5 Ų127.569%0.68580%0.8SS**  cis-149.1137.918.455.60000115.5
154Q35.4Very low36.7Very low170 Ų170129.5 Ų129.579%0.79480%0.802SS**  trans74.6127.5141-70.1-177.38.100123.2
155Q33.5Very low36.9Very low181 Ų181128.8 Ų128.885%0.84680%0.8SS**  trans66.398.2144.6-65.4-174.73.200121
156A32.3Very low36.6Very low100 Ų100126.9 Ų126.983%0.82680%0.803SS**  trans-158.4104.5145.200000112.4
157T31.4Very low36.7Very low139 Ų139131.8 Ų131.885%0.85381%0.81SS**  trans-146.4135.3159.8-39.40000110.5
158T31.4Very low36.3Very low123 Ų123136.3 Ų136.376%0.75582%0.819SS**  trans68.9108170.1-10.50000117.3
159Q35.7Very low36.2Very low193 Ų193134.9 Ų134.990%0.90282%0.821SS**  -173.6176.897-93.4-170.521.800111.1
160S29.7Very low36.1Very low121 Ų121133.5 Ų133.585%0.84682%0.824SS**  trans-113.2138.6-151.6-560000115.7
161A34.7Very low36Very low97 Ų97134.2 Ų134.280%0.80282%0.824SS**  trans-146.7129.9151.600000108
162S36.1Very low35.9Very low109 Ų109139.1 Ų139.176%0.76282%0.824SS**  cis76.986.324.6-160.40000115.8
163S37Very low35.8Very low95 Ų95138.5 Ų138.566%0.66482%0.816SS**  177.8116.7122.2-85.70000115.3
164K37.7Very low36Very low196 Ų196142.6 Ų142.685%0.85282%0.824SS**  trans63.8164.8139.4-60.2171.9-176.4173.10119.3
165P44.5Very low35.9Very low124 Ų124137.6 Ų137.681%0.80582%0.818SS**  cis-120147.1-31.433.4-18.9000112.5
166G31.8Very low36.2Very low74 Ų74135 Ų13576%0.76382%0.817SS**  trans-87.9167.8172.900000113.6
167K39.4Very low36.5Very low214 Ų214139.3 Ų139.393%0.9382%0.817SS**  trans-156.498.8160.5-111.1171-174.4-1800111.4
168H33.3Very low36.8Very low205 Ų205141.9 Ų141.995%0.94982%0.816SS**  trans-109.9138155.8-103.3-84.5000107.2
169G36.2Very low37.3Very low77 Ų77141 Ų14179%0.79482%0.815SS**  trans173.5128.917400000113.3
170G38.9Very low37.3Very low80 Ų80136.9 Ų136.983%0.82581%0.807SS**  trans64.9100.316100000117.7
171K36.7Very low38.1Very low217 Ų217136.2 Ų136.294%0.94380%0.8SS**  trans-92113.5147.1-77-170.6177.1-175.80108.2
172H39.9Very low38.3Very low185 Ų185137.1 Ų137.186%0.85680%0.796SS**  trans-108.4141.5161.9-123.8-96.4000108.7
173T36.3Very low38.3Very low110 Ų110138.4 Ų138.468%0.67580%0.799SS**  trans-91.1178.8175.340.90000111.6
174H43Very low38.3Very low184 Ų184138.3 Ų138.385%0.85280%0.804SS**  trans70.2134.7-167.6-35.8-75.5000112.3
175G34.7Very low38.2Very low66 Ų66138 Ų13868%0.6880%0.798SS**  cis-162.9165.6-8.600000110.2
176P40.4Very low38.3Very low125 Ų125137.8 Ų137.881%0.81280%0.797SS**  trans-88130.5-170.432.4-33.5000113.7
177K38Very low38.5Very low192 Ų192140.6 Ų140.684%0.83579%0.79SS**  trans-175.8120.4144.8-100.9148-172.31790114.4
178K37.2Very low38.5Very low192 Ų192136.7 Ų136.784%0.83578%0.784SS**  trans63151.4137.2-60.3-174.6174.8-170.60122.6
179S41.4Very low38.7Very low105 Ų105133.6 Ų133.673%0.73478%0.78SS**  trans65.792.3150.240.70000121.9
180S37.4Very low38.7Very low106 Ų106133.6 Ų133.674%0.74178%0.78SS**  -10.1164.6113.451.70000119.6
181P45.8Very low38.4Very low107 Ų107140 Ų14070%0.69579%0.785SS**  cis-150-169.4-24.941.7-21.4000116.3
182T39.2Very low38.1Very low117 Ų117133.8 Ų133.872%0.71878%0.783SS**  trans70.3150.1145-51.30000121.7
183T35.2Very low37.8Very low135 Ų135128.6 Ų128.683%0.82878%0.78SS**  trans71.7151.9165.321.30000117.1
184A37.9Very low37.5Very low93 Ų93129.8 Ų129.877%0.76979%0.792SS**  cis-139.4169.18.800000114.8
185R36Very low37.2Very low190 Ų190126.3 Ų126.372%0.71779%0.789SS**  trans-122.9130.2169165.9-175.9177.9-119.8-1.8108.4E187R185-E187 PolarHBondContact NH1-OE1 2.86Å; R185-E187 PolarHBondContact NH2-OE1 3.22Å; R185-E187 IonicContact NH2-OE1 2.75Å; R185-E187 IonicContact NH1-OE1 2.64Å; R185-E187 IonicContact CZ-OE1 3.08Å; R185-E187 VanDerWaalsContact CZ-CG 3.5Å
186P44.9Very low37.2Very low120 Ų120129.2 Ų129.278%0.77980%0.798SS**  trans-87.8150.5162.2-8.226.9000111.9
187E37Very low37.1Very low133 Ų133133.3 Ų133.362%0.62180%0.803SS**  trans-116.8148.2163.6-67.1-171.3139.200109.8R185R185-E187 PolarHBondContact NH1-OE1 2.86Å; R185-E187 PolarHBondContact NH2-OE1 3.22Å; R185-E187 IonicContact NH2-OE1 2.75Å; R185-E187 IonicContact NH1-OE1 2.64Å; R185-E187 IonicContact CZ-OE1 3.08Å; R185-E187 VanDerWaalsContact CZ-CG 3.5Å
188T38.8Very low36.9Very low132 Ų132128.1 Ų128.181%0.8180%0.796SS**  trans-177116.6154.613.90000105.9
189T37.1Very low37.1Very low140 Ų140125.5 Ų125.586%0.85980%0.797SS**  75.892.361.5-55.30000112.5
190G37.2Very low36.9Very low77 Ų77128.6 Ų128.679%0.79480%0.8SS**  trans-156.1141.2170.200000109.9
191K33.1Very low36.7Very low213 Ų213128 Ų12893%0.92680%0.795SS**  trans-112.7138.9-171-68.7178.6-179.2172.90112.7
192G28.7Very low36.3Very low88 Ų88128.7 Ų128.791%0.90780%0.798SS**  trans87.9163.4157.500000116
193G33.4Very low36Very low76 Ų76131.7 Ų131.778%0.78480%0.803SS**  trans125.177177.700000113.9
194S30.9Very low35.8Very low134 Ų134129 Ų12994%0.93780%0.803SS**  trans-90.1111.7166.9-58.40000109.9
195S37.1Very low35.5Very low112 Ų112130.7 Ų130.778%0.78381%0.809SS**  trans-145.6105.4170.149.20000112
196S34.9Very low35.4Very low126 Ų126125.6 Ų125.688%0.88182%0.815SS**  trans-74.5125.216349.90000109.4
197K37.6Very low34.7Very low211 Ų211125.4 Ų125.492%0.91782%0.817SS**  trans-107.8134168.6-162.1172.3-175.3179.50109.3
198A34.8Very low34.4Very low83 Ų83124.1 Ų124.169%0.68682%0.823SS**  trans-128162.9-173.100000111.6
199T40.8Very low34.3Very low137 Ų137127.4 Ų127.484%0.8483%0.826SS**  trans-140.1111.9164.5-25.40000103.4
200Q37.3Very low34Very low171 Ų171125.4 Ų125.480%0.79982%0.818SS**  53.4131.767-71.2-164.2-63.200112.4
201S33.1Very low34.1Very low93 Ų93127.9 Ų127.965%0.6582%0.818SS**  cis-144.1-170-10.4-78.50000106.5
202T37.2Very low34.2Very low121 Ų121120.7 Ų120.774%0.74280%0.804SS**  cis-166.4174.541.1-60.30000110.2
203E32.3Very low34.6Very low180 Ų180121.3 Ų121.384%0.84178%0.782SS**  trans-60.4171.5-171.3-57.7124.6127.900117.1
204G32.2Very low34.6Very low80 Ų80123.6 Ų123.683%0.82578%0.78SS**  trans178.955.8176.500000114.4
205S31.3Very low35Very low128 Ų128120.7 Ų120.790%0.89575%0.751SS**  trans-75.4137.217546.70000112.1
206G33.7Very low35Very low82 Ų82120.7 Ų120.785%0.84575%0.748SS**  trans176.894.5174.800000115.4
207S31.1Very low35Very low116 Ų116120.6 Ų120.681%0.81174%0.743SS**  trans-101.2132.6160.461.90000109.8
208S30.6Very low34.9Very low107 Ų107119.1 Ų119.175%0.74874%0.739SS**  trans-175.2144.4168.9-92.50000112.2
209K35.1Very low34.9Very low200 Ų200116.7 Ų116.787%0.8772%0.722SS**  trans66.6146157-70168.4-175.9176.10115.2
210S31.8Very low34.7Very low99 Ų99115.7 Ų115.769%0.69271%0.711SS**  cis-164.4164.1-9.2-152.60000106.9
211T39.6Very low34.5Very low129 Ų129110.7 Ų110.779%0.79169%0.692SS**  cis-156.5141.110.3-34.50000110
212G35.3Very low34.4Very low62 Ų62113 Ų11364%0.63970%0.702SS**  trans76146.8159.700000116.2Q232G212-Q232 CarbonylContact C-O 3.55Å
213K37.2Very low34.7Very low101 Ų101113 Ų11344%0.43971%0.707SS.*  cis-159.6155.48.5-92.6161.1165-161.20107.9S230 Q231 Q232K213-S230 CarbonylContact C-O 3.58Å; K213-S230 WeakPolarHBondContact CB-O 3.17Å; K213-S230 WeakPolarHBondContact CG-O 3.44Å; K213-Q231 HydrophobicContact CG-CB 4.17Å; K213-Q231 VanDerWaalsContact O-O 3.11Å; K213-Q231 CarbonylContact O-C 3.45Å; K213-Q231 HydrophobicContact CD-CB 3.74Å; K213-Q231 HydrophobicContact CB-CB 3.93Å; K213-Q231 VanDerWaalsContact CB-C 3.45Å; K213-Q231 CarbonylContact C-O 3.46Å; K213-Q232 CarbonylContact C-O 3.52Å; K213-Q232 WeakPolarHBondContact CA-O 3.18Å; K213-Q232 HydrophobicContact CB-CB 4.5Å; K213-Q232 VanDerWaalsContact CB-O 3.23Å; K213-Q232 WeakPolarHBondContact CB-O 3.39Å; K213-Q232 HydrophobicContact CD-CB 4.2Å; K213-Q232 PolarHBondContact N-O 3.42Å
214T33.7Very low34.8Very low123 Ų123109 Ų10976%0.75570%0.699SS**  trans-159.4133.4-179.6-38.70000113.6S230T214-S230 PolarHBondContact O-N 2.81Å; T214-S230 WeakPolarHBondContact O-CA 3.14Å; T214-S230 PolarHBondContact N-O 3.3Å; T214-S230 CarbonylContact O-C 3.35Å
215K38.1Very low34.7Very low74 Ų74109.3 Ų109.332%0.32269%0.689SS.*  trans178.5149.6151.3-152.4155.4-179176.10106.3H218 S228K215-H218 VanDerWaalsContact CE-O 3.32Å; K215-H218 WeakPolarHBondContact CE-O 3.23Å; K215-H218 PolarHBondContact NZ-O 3.39Å; K215-S228 WeakPolarHBondContact CD-O 3.16Å; K215-S228 PolarHBondContact NZ-O 3.03Å
216P36.4Very low35.1Very low111 Ų111107.1 Ų107.172%0.72167%0.673SS**  cis-137.4137.628.340.2-20.7000120.6
217T35.6Very low35.2Very low125 Ų125110.9 Ų110.977%0.76767%0.669SS**SBendtrans-159.5158.5133.39.60000109.3
218H35.9Very low35.5Very low180 Ų180110.1 Ų110.183%0.83366%0.664SS**  trans62.2160.6-177.6-67.5-85.2000117.7K215K215-H218 VanDerWaalsContact CE-O 3.32Å; K215-H218 WeakPolarHBondContact CE-O 3.23Å; K215-H218 PolarHBondContact NZ-O 3.39Å
219G35.8Very low35.8Very low32 Ų32109.5 Ų109.533%0.3366%0.659SS.*  trans91.365.4169.600000115.5
220D34.9Very low35.9Very low116 Ų116101.9 Ų101.962%0.6263%0.631SS**  64.5115.6117.1-57.5-36.8000121.4S226 Q227D220-S226 CarbonylContact O-C 3.58Å; D220-Q227 PolarHBondContact O-N 3.38Å
221V33.8Very low36.2Very low66 Ų66102.6 Ų102.640%0.462%0.624SS.*  103.8126.1126.2167.30000118.6S224 S225V221-S224 WeakPolarHBondContact CG2-O 3.38Å; V221-S225 VanDerWaalsContact CG2-N 3.33Å
222T31Very low36.1Very low141 Ų141102 Ų10287%0.86561%0.612SS**SBend-117.5133.557.128.40000115.8
223S44.3Very low36.1Very low120 Ų120102.9 Ų102.984%0.83961%0.614SS**SBendcis-114.4150.30.6-590000110.5
224S33.9Very low36Very low97 Ų97104 Ų10468%0.67863%0.629SS**SBendcis-132.8134.64.4520000114.2V221V221-S224 WeakPolarHBondContact CG2-O 3.38Å
225S30.8Very low36Very low87 Ų87104 Ų10461%0.60863%0.629SS**SBendtrans67.395.5-179.4580000124.7V221V221-S225 VanDerWaalsContact CG2-N 3.33Å
226S38Very low35.7Very low81 Ų81108.5 Ų108.557%0.56665%0.651SS**  87.189.7123.7-520000126.7D220D220-S226 CarbonylContact O-C 3.58Å
227Q36.7Very low35.4Very low161 Ų161108.3 Ų108.375%0.75265%0.653SS**  72.9159.6117.6-72.7-175.3-3100123.8D220D220-Q227 PolarHBondContact O-N 3.38Å
228S37.6Very low35.1Very low101 Ų101107.6 Ų107.671%0.70666%0.659SS**  trans100.6162.8161.8830000120K215K215-S228 WeakPolarHBondContact CD-O 3.16Å; K215-S228 PolarHBondContact NZ-O 3.03Å
229S36.6Very low35Very low93 Ų93104.2 Ų104.265%0.6566%0.656SS**  trans-163170.2-161.2106.40000110.7
230S37.8Very low34.9Very low40 Ų40107.7 Ų107.728%0.2868%0.675SS.*  cis-173.4176.7-13.451.50000111.3K213 T214K213-S230 CarbonylContact C-O 3.58Å; K213-S230 WeakPolarHBondContact CB-O 3.17Å; K213-S230 WeakPolarHBondContact CG-O 3.44Å; T214-S230 PolarHBondContact O-N 2.81Å; T214-S230 WeakPolarHBondContact O-CA 3.14Å; T214-S230 PolarHBondContact N-O 3.3Å; T214-S230 CarbonylContact O-C 3.35Å
231Q37.4Very low35.2Very low115 Ų115111.7 Ų111.754%0.53769%0.687SS.*  trans92.6-141.9153.8-66179.71.100122.8K213K213-Q231 HydrophobicContact CG-CB 4.17Å; K213-Q231 VanDerWaalsContact O-O 3.11Å; K213-Q231 CarbonylContact O-C 3.45Å; K213-Q231 HydrophobicContact CD-CB 3.74Å; K213-Q231 HydrophobicContact CB-CB 3.93Å; K213-Q231 VanDerWaalsContact CB-C 3.45Å; K213-Q231 CarbonylContact C-O 3.46Å
232Q38.1Very low35.5Very low115 Ų115115.1 Ų115.154%0.53771%0.71SS.*  trans-95.3-179.8-147.9-68.2152.8-42.500118.3G212 K213G212-Q232 CarbonylContact C-O 3.55Å; K213-Q232 CarbonylContact C-O 3.52Å; K213-Q232 WeakPolarHBondContact CA-O 3.18Å; K213-Q232 HydrophobicContact CB-CB 4.5Å; K213-Q232 VanDerWaalsContact CB-O 3.23Å; K213-Q232 WeakPolarHBondContact CB-O 3.39Å; K213-Q232 HydrophobicContact CD-CB 4.2Å; K213-Q232 PolarHBondContact N-O 3.42Å
233A35.8Very low35.7Very low82 Ų82111.9 Ų111.968%0.67871%0.705SS**  cis-176.1171.6-36.800000110.3
234T35Very low35.3Very low124 Ų124115.8 Ų115.876%0.76171%0.707SS**  trans79.893.3151.9-470000121.4
235T32.2Very low35.6Very low122 Ų122121 Ų12175%0.74872%0.72SS**  51.4123.2123.4-30.80000122.8
236Q32.3Very low35.8Very low169 Ų169120.5 Ų120.579%0.7973%0.729SS**  150.7114.8123.2-81.9-159.617.200115.1
237S29.7Very low35.7Very low108 Ų108120.5 Ų120.576%0.75574%0.742SS**  72.2161.1129.9-57.70000123.2
238A29.9Very low35.8Very low109 Ų109122.3 Ų122.390%0.90175%0.747SS**  trans75.7137.816800000118.6
239S34.5Very low35.8Very low110 Ų110126.4 Ų126.477%0.76976%0.755SS**  trans-120.4147-179.457.70000110.9
240S32.5Very low35.7Very low104 Ų104127.4 Ų127.473%0.72776%0.757SS**  155.7125.8128.1-74.60000114.3
241K41.5Very low35.9Very low201 Ų201135.5 Ų135.587%0.87479%0.788SS**  trans31.2128.7140.7-62.4173.1-179.7169.10118.8
242P40.5Very low35.8Very low137 Ų137133.3 Ų133.389%0.8980%0.795SS**  -131.8-168.982.539.1-28.3000111.3
243G34.7Very low35.8Very low74 Ų74134.4 Ų134.476%0.76381%0.813SS**  cis-170.61622.900000110.9
244K36.5Very low36Very low201 Ų201139.8 Ų139.887%0.87482%0.821SS**  trans-91.4140.4-173.8-58.4165.3177.9170.60112.8
245H39.2Very low36.1Very low206 Ų206141.9 Ų141.995%0.95483%0.827SS**  trans-145.5153.4141.9-80.7-93.3000107.7
246G34.7Very low36.4Very low77 Ų77141.6 Ų141.679%0.79483%0.83SS**  cis162.3118.4-900000111
247G37Very low36.4Very low81 Ų81139 Ų13984%0.83583%0.83SS**  trans161122.2176.700000114.4
248K37.8Very low37Very low200 Ų200139.2 Ų139.287%0.8783%0.83SS**  trans-151117.3172.5-82-170.4176.7-173.90110.7
249Q38.6Very low37.3Very low187 Ų187140 Ų14087%0.87482%0.823SS**  trans-149.3121.1145.3-64.8-168-10.900105.8
250T33.8Very low37.4Very low113 Ų113140.4 Ų140.469%0.69383%0.826SS**  cis7590.541.873.40000115.9
251K41.8Very low37.6Very low211 Ų211140.4 Ų140.492%0.91783%0.833SS**  -173.5149.8125-96.2154.7-175.1179.90110
252G36.6Very low37.4Very low68 Ų68141.5 Ų141.570%0.70183%0.831SS**  trans-85.5-178.5167.700000111.6
253P37.7Very low37.5Very low138 Ų138140.6 Ų140.690%0.89683%0.825SS**  -144.8-161.783.641.1-24.8000114.9
254K40.1Very low37.7Very low196 Ų196140.2 Ų140.285%0.85282%0.815SS**  trans-87.3170.7179.8-62.7178.3178179.20112.7S256K254-S256 PolarHBondContact O-N 3.36Å
255N36.6Very low37.9Very low168 Ų168136.8 Ų136.890%0.89881%0.811SS**SBendtrans-51.2116.4170.1-61.53.3000114
256S38.2Very low37.8Very low116 Ų116133.4 Ų133.481%0.81181%0.805SS**  trans-170.8146140.651.80000110.1K254K254-S256 PolarHBondContact O-N 3.36Å
257S33.4Very low37.9Very low113 Ų113133.5 Ų133.579%0.7981%0.806SS**  trans-54.1162.6179.8-220000113.7
258P40.8Very low37.7Very low114 Ų114140.1 Ų140.174%0.7481%0.812SS**  cis-146.7158.540.241.1-20.5000120.3
259T36.4Very low37.3Very low124 Ų124134.3 Ų134.376%0.76181%0.809SS**  trans48.2122132-49.80000123.6
260S37.2Very low37.1Very low119 Ų119128.9 Ų128.983%0.83280%0.803SS**  trans70.2148.5156.6-66.20000118.7
261A37.8Very low37Very low105 Ų105128.9 Ų128.987%0.86881%0.808SS**  cis-134.3-172.414.100000115.3
262R36.9Very low36.4Very low223 Ų223124.2 Ų124.284%0.84280%0.802SS**  trans-124152.3-163.9167.1179.7171.9-130.1-5.2108.9A264R262-A264 HydrophobicContact CG-CB 4.44Å
263P41.5Very low36.2Very low118 Ų118126.2 Ų126.277%0.76681%0.805SS**  -125.4155.857.711.914.3000115.2
264A40.4Very low35.9Very low67 Ų67129.6 Ų129.655%0.55481%0.805SS**  75.1142.550.600000113.2R262R262-A264 HydrophobicContact CG-CB 4.44Å
265T38.8Very low35.4Very low128 Ų128125.3 Ų125.379%0.78580%0.8SS**  cis-123.6161.815.848.60000111.7
266T38.4Very low35.3Very low136 Ų136123 Ų12383%0.83479%0.792SS**  cis76.7109.232.758.80000118.2
267G36.4Very low34.9Very low78 Ų78126.1 Ų126.180%0.80479%0.794SS**  trans-160.1143.7161.900000110.9
268K32.3Very low34.8Very low220 Ų220124.9 Ų124.996%0.95779%0.786SS**  trans-142.4153.7-178.2-76.7-174.6176.7-178.10110.8
269G29.9Very low34.4Very low79 Ų79124.9 Ų124.981%0.81478%0.783SS**  trans117.8161.3152.500000116.6
270G33.8Very low34.5Very low73 Ų73127.6 Ų127.675%0.75379%0.788SS**  trans88.3118-178.100000112.6
271S31.6Very low34.3Very low113 Ų113124.8 Ų124.879%0.7978%0.777SS**  cis101.296.417.3-53.80000115.7
272S30.5Very low34.4Very low112 Ų112126 Ų12678%0.78378%0.779SS**  trans70.4147.6141.566.70000123.8
273S31.5Very low34.3Very low110 Ų110119.2 Ų119.277%0.76978%0.779SS**  trans71.296.1142.6-61.50000123.4
274K30.9Very low34.2Very low209 Ų209118.8 Ų118.891%0.90978%0.778SS**  44.998.1110.3-170.9-169.6179.5-174.70119.5
275S30.3Very low34.3Very low106 Ų106120.7 Ų120.774%0.74179%0.788SS**  trans-166122.8144.5-156.30000109.3
276T33.5Very low34.4Very low119 Ų119123.7 Ų123.773%0.7379%0.79SS**  83.6149.680.1-35.30000114.6
277Q31.3Very low34.1Very low182 Ų182121.7 Ų121.785%0.8578%0.781SS**  trans73.2154.6173.9-67.2-169.6-91.300118.6
278S29.8Very low34.5Very low88 Ų88124.7 Ų124.762%0.61578%0.784SS**  cis-173.4156.2-28.9-170.70000111.2
279T33.8Very low34.8Very low113 Ų113118.4 Ų118.469%0.69377%0.774SS**  trans64.9166.9158.7-7.30000115.4
280E37Very low35.1Very low182 Ų182124.4 Ų124.485%0.8578%0.777SS**  cis-158.8166.66.2-163.3151.4-129.400112.9
281G34.5Very low35.4Very low59 Ų59127.6 Ų127.661%0.60878%0.782SS**  trans88.5113.116700000116.2
282S40.2Very low35.7Very low131 Ų131130.4 Ų130.492%0.91678%0.783SS**  83.6134.760.174.10000114.3
283G33.3Very low36.4Very low81 Ų81129.7 Ų129.784%0.83578%0.776SS**  cis177.9150.3-11.700000113.7
284S39.5Very low36.9Very low108 Ų108131.3 Ų131.376%0.75578%0.781SS**  trans-166.1115.6169.1177.30000108.8
285S42.7Very low37.2Very low107 Ų107130.6 Ų130.675%0.74878%0.781SS**  65.7123.775.4-64.80000114.1
286K40.7Very low37.5Very low191 Ų191129.1 Ų129.183%0.8378%0.782SS**  cis-162.5134.2-7.3-147.2-175.8-178.7177.90113.7
287S32.8Very low37.8Very low94 Ų94130.9 Ų130.966%0.65779%0.787SS**  trans36.4121149.862.80000124.2
288T44.9Very low38.1Very low141 Ų141127.7 Ų127.787%0.86578%0.78SS**  -171.1107.5119.318.10000107.5
289A38.7Very low38.5Very low89 Ų89129.2 Ų129.274%0.73679%0.785SS**  93.1102.365.100000113.6
290K36.2Very low38.7Very low205 Ų205128.9 Ų128.989%0.89179%0.788SS**  trans34.1142.5143.7-51.6-175.4178-175.60119.4
291T39Very low38.6Very low139 Ų139125.5 Ų125.585%0.85379%0.785SS**  cis-153.5170.443-57.70000112
292E38.9Very low38.7Very low172 Ų172128.6 Ų128.680%0.80480%0.797SS**  trans-107.2-156.8-174.5-154.4-161.615300112
293P44.5Very low38.8Very low97 Ų97128 Ų12863%0.6379%0.792SS**  -105.2167.1-10838.3-26.4000116.8
294T43.4Very low38.9Very low144 Ų144136.1 Ų136.188%0.88380%0.798SS**  trans-153.2156.9141.9-8.60000112.4
295H35.9Very low38.8Very low195 Ų195134.6 Ų134.690%0.90380%0.799SS**  trans-78.6151.8171.1-75.3-113.7000111.8
296G37.7Very low38.6Very low75 Ų75134.8 Ų134.877%0.77380%0.8SS**  trans-162.2140.6171.700000110.3
297D38.5Very low38.5Very low155 Ų155130.5 Ų130.583%0.82979%0.794SS**  trans-99.7145.7-157.5-95.8-53.1000116.4
298V37.7Very low38.8Very low116 Ų116134 Ų13470%0.70380%0.801SS**  trans73.3143.5138.3173.60000121.2
299T39.6Very low38.7Very low119 Ų119136.2 Ų136.273%0.7380%0.801SS**  trans65.195.6166.341.60000121.7
300S37.3Very low38.7Very low107 Ų107136 Ų13675%0.74880%0.8SS**  54.1133.2105.3-54.70000123.4
301S34.2Very low38.8Very low111 Ų111132.7 Ų132.778%0.77680%0.797SS**  trans70.19014054.30000121.2
302S36.8Very low38.7Very low124 Ų124131.4 Ų131.487%0.86779%0.789SS**  trans-177.1156.5137-85.90000109.2
303S41.5Very low38.7Very low117 Ų117131.9 Ų131.982%0.81879%0.791SS**  cis-158.7178.1-11.2450000108.8
304R36.5Very low38.2Very low252 Ų252132.2 Ų132.295%0.95180%0.796SS**  trans-100.2145.4-176.6-61.8170.180.5174.25.3112.6
305G38.1Very low37.8Very low76 Ų76130 Ų13078%0.78479%0.792SS**  trans103.4156.8163.100000115.7
306S38.4Very low37.8Very low111 Ų111126.1 Ų126.178%0.77679%0.786SS**  cis-172.5165.2-10.952.60000113.2
307S37.6Very low38Very low101 Ų101130.9 Ų130.971%0.70679%0.793SS**  trans90.6162.9150.583.80000121
308Q39.8Very low38.2Very low168 Ų168133 Ų13379%0.78580%0.795SS**  trans73110.6176.9-50.7-168.42000115.1
309Q42.5Very low38.5Very low188 Ų188133.6 Ų133.688%0.87980%0.801SS**  69.2139.871.8-72.4-173.7-500113.4
310A38.1Very low38.2Very low85 Ų85131.5 Ų131.570%0.70280%0.803SS**  cis-162.1155.7-19.300000107.3
311T38.7Very low38.4Very low135 Ų135136.2 Ų136.283%0.82881%0.81SS**  169.3153.791.9-63.50000110.2
312T37.7Very low38.6Very low112 Ų112140.5 Ų140.569%0.68782%0.818SS**  trans-64.4162.1174.7-8.70000112.4
313Q38.4Very low38.6Very low182 Ų182138.5 Ų138.585%0.8582%0.817SS**  -162.2138.555.6-69.9-179.26.300108.7
314S33.4Very low38.5Very low104 Ų104136.9 Ų136.973%0.72782%0.819SS**  91.177.454.2-61.20000116.3
315A34.9Very low38.7Very low98 Ų98134.2 Ų134.281%0.8181%0.814SS**  trans179.4158.1152.500000111.1
316S36.9Very low38.7Very low112 Ų112139.9 Ų139.978%0.78382%0.82SS**  cis-173.6143.7-40.7-109.40000109.7
317L41.5Very low38.8Very low176 Ų176140.1 Ų140.192%0.92182%0.817SS**  trans71.3156.2168.6-58.5172.9000119
318K43Very low39Very low200 Ų200144.7 Ų144.787%0.8783%0.827SS**  trans-113.2147.6-162.6-52.7169.2-177.8174.70112.5
319P44.2Very low38.9Very low127 Ų127139.7 Ų139.783%0.82582%0.821SS**  trans-89.4126.4147.333.2-27.2000110.2
320G32.8Very low38.7Very low75 Ų75140.5 Ų140.577%0.77382%0.824SS**  trans-86.7139.9171.400000112
321K41.8Very low38.9Very low206 Ų206145.2 Ų145.290%0.89683%0.829SS**  trans-138.2154.4165.9-79.9-165.8175.6179.80112.2
322H38.7Very low38.9Very low201 Ų201146.8 Ų146.893%0.93183%0.832SS**  trans-80.6160.1-179.2-63.2-116000112.2
323G36.1Very low39.2Very low83 Ų83146.8 Ų146.886%0.85684%0.837SS**  trans138.5124.6152.200000113.9
324G38.8Very low39.5Very low83 Ų83143.9 Ų143.986%0.85684%0.836SS**  trans140.895.3176.100000112.4
325K41.1Very low40.2Very low195 Ų195144.3 Ų144.385%0.84884%0.837SS**  trans-92.5137.5162.8-66.5-178.8-180179.50108
326H38.4Very low40.4Very low195 Ų195145.7 Ų145.790%0.90384%0.836SS**  trans-104.5150.2151.8-113.2-105.9000109.5
327T41.6Very low40.6Very low117 Ų117146.8 Ų146.872%0.71884%0.838SS**  trans-134.9108.9-173.2-53.10000109.2
328E40.9Very low40.5Very low197 Ų197142.6 Ų142.692%0.92183%0.828SS**  trans-167.1149.1161.8-111.4160.4-159.900108.8
329G37.5Very low40.2Very low63 Ų63142.8 Ų142.865%0.64982%0.824SS**  cis170.50.4-2.700000117.5
330Q38.4Very low40Very low204 Ų204142.8 Ų142.895%0.95382%0.823SS**  trans-91.9141.2-178.5-81-174.5-29.100113.6
331K41.4Very low40.5Very low184 Ų184146.1 Ų146.180%0.882%0.819SS**  trans-103.1158.6-172.6-56.1171.2-176.61730110.2
332N39.4Very low39.9Very low169 Ų169142.5 Ų142.590%0.90481%0.814SS**  -161.3126.4121.5-98-17.3000109.9
333S43.6Very low40.1Very low112 Ų112139.9 Ų139.978%0.78381%0.813SS**  trans-136.2122.6-179.6-59.90000109.2
334S44.7Very low40.1Very low120 Ų120138.8 Ų138.884%0.83980%0.802SS**  trans38.7149.5156.7-54.40000122.2
335P47.9Very low40.1Very low114 Ų114145.3 Ų145.374%0.7481%0.806SS**  trans-82.6163.1-171.5-827.6000114.6
336T39Very low39.7Very low127 Ų127140.2 Ų140.278%0.77981%0.809SS**  trans40.9101.2143.5-44.40000115.8
337T41.9Very low39.5Very low135 Ų135134.2 Ų134.283%0.82880%0.8SS**  cis-152.5-179.140.9-11.30000109.5
338A39.2Very low39.3Very low88 Ų88134.9 Ų134.973%0.72781%0.81SS**  cis-151.3-176.720.600000114.5
339R36.6Very low39.3Very low204 Ų204130.3 Ų130.377%0.7780%0.799SS**  trans-57.8143.3167-163.9163-175.3-173.40.8109.8Q341R339-Q341 VanDerWaalsContact CZ-OE1 3.31Å
340P41Very low39.5Very low126 Ų126132.1 Ų132.182%0.81880%0.802SS**  cis-124.2-171.248.439.9-25.6000117.1
341Q41.8Very low39.5Very low145 Ų145132.2 Ų132.268%0.67880%0.799SS**  trans-98.5168-154.9-74.4162.4-110.100115.3R339R339-Q341 VanDerWaalsContact CZ-OE1 3.31Å
342T30.7Very low39.3Very low131 Ų131128.4 Ų128.480%0.80480%0.802SS**  trans-65.2148.9179.448.60000115.6
343T42.4Very low39.2Very low145 Ų145127.1 Ų127.189%0.8980%0.8SS**  trans155.7137.9137.3-65.60000108.5
344G36.5Very low39Very low61 Ų61130.5 Ų130.563%0.62980%0.804SS**  cis167149.6-9.900000112.3
345K37.6Very low38.7Very low219 Ų219129.4 Ų129.495%0.95280%0.796SS**  trans61.5130.9169.5-63.3-176.3177.7-179.90120.2
346G32.2Very low38.3Very low88 Ų88130 Ų13091%0.90780%0.798SS**  trans86.2142.415800000116.1
347G35.2Very low38.1Very low69 Ų69132.5 Ų132.571%0.71180%0.801SS**  cis171.2159.8-7.500000111.3
348S37.5Very low37.6Very low132 Ų132129.9 Ų129.992%0.92380%0.801SS**  trans69.3147.9176.5-57.60000115.9
349S40.5Very low37.6Very low100 Ų100131.1 Ų131.170%0.69980%0.804SS**  cis-155.8173.1-5.155.60000113.2
350S41.6Very low37.4Very low101 Ų101125.2 Ų125.271%0.70681%0.807SS**  trans68.693.7143.953.40000122.1
351K38.3Very low37.2Very low207 Ų207124.4 Ų124.490%0.980%0.804SS**  68.8100.6105.9-168.8-177.1-176.6179.60120
352A38.6Very low37Very low104 Ų104122.2 Ų122.286%0.8681%0.805SS**  trans-149.3137.5140.600000109.6
353T37.2Very low37.2Very low141 Ų141125.4 Ų125.487%0.86581%0.808SS**  trans-112138.3-175.6-51.10000110.6
354Q39.6Very low36.8Very low184 Ų184123.3 Ų123.386%0.8680%0.799SS**  trans-136.4156.3167.9-162.3166.711.800111
355S38Very low36.9Very low97 Ų97127 Ų12768%0.67881%0.81SS**  trans-43.8143.3-175.3-46.10000114.5
356T38.4Very low36.9Very low127 Ų127119.9 Ų119.978%0.77980%0.798SS**  52.4121.569.6-29.10000110.4
357E36Very low37.4Very low178 Ų178125.6 Ų125.683%0.83280%0.798SS**  cis-144149.130.2-160.8160.8-147.600112.2
358G30.4Very low37.7Very low80 Ų80127.1 Ų127.183%0.82579%0.793SS**  trans-149.9105.2177.500000111.2
359S39.1Very low38Very low115 Ų115128.8 Ų128.880%0.80479%0.786SS**  trans-125.692.9-170.839.90000111.5
360G32Very low38.7Very low80 Ų80128.5 Ų128.583%0.82578%0.782SS**  trans-119.7114.7167.300000110.4
361S37.1Very low39Very low109 Ų109128.9 Ų128.976%0.76278%0.781SS**  trans-160134.8168.2-167.10000112
362S37.7Very low39.4Very low99 Ų99126.9 Ų126.969%0.69277%0.774SS**  trans32.2114.6136.3-41.60000118.9
363K35.8Very low39.7Very low198 Ų198125.2 Ų125.286%0.86177%0.767SS**  70.2133.177-84.3-171172.5-179.10115.9
364S33.2Very low40.3Very low100 Ų100124.5 Ų124.570%0.69976%0.757SS**  trans68.6105.3149.457.10000121.7
365T39.7Very low40.4Very low140 Ų140121 Ų12186%0.85975%0.749SS**  61.7113.7125.460.80000122
366G36.7Very low40.6Very low68 Ų68122.4 Ų122.470%0.70175%0.753SS**  117.5140.298.100000119.7
367K42.8Very low40.7Very low209 Ų209121.8 Ų121.891%0.90975%0.754SS**  trans69.6150.9156.7-63.3-173.6178.1-171.70116.6
368T41.3Very low40.7Very low101 Ų101116.7 Ų116.762%0.6275%0.749SS**  cis-159.8129.4-7-102.50000105.4
369E44Very low41.1Very low166 Ų166118.1 Ų118.178%0.77675%0.746SS**  75.8174.886.6-130.9-162.9146.400114.4
370P55.8Low40.7Very low95 Ų95118.2 Ų118.262%0.61775%0.747SS**  -99.2-155-8027.3-6.3000111.5
371T48.3Very low40.9Very low109 Ų109124.4 Ų124.467%0.66975%0.754SS**  cis-161.5159.418.4-21.40000106
372H46Very low40.8Very low165 Ų165122.3 Ų122.376%0.76475%0.75SS**  cis-117.6-169.89.1-91.1-94.9000109.6D374H372-D374 IonicContact CE1-OD2 2.64Å; H372-D374 IonicContact CG-OD2 3.06Å; H372-D374 IonicContact ND1-OD2 2.71Å; H372-D374 PolarHBondContact ND1-OD2 3.23Å
373G44.8Very low40.7Very low68 Ų68123.9 Ų123.970%0.70176%0.761SS**  cis151.3-151.68.300000108.1
374D50.1Low40.6Very low126 Ų126119.1 Ų119.167%0.67475%0.753SS**  cis-179.3149-34.5-99.2-49.5000107.2H372H372-D374 IonicContact CE1-OD2 2.64Å; H372-D374 IonicContact CG-OD2 3.06Å; H372-D374 IonicContact ND1-OD2 2.71Å; H372-D374 PolarHBondContact ND1-OD2 3.23Å
375V42Very low40.6Very low112 Ų112122.7 Ų122.768%0.67976%0.758SS**  cis-154163.1-770.60000108.8
376T42.2Very low40.3Very low125 Ų125124.3 Ų124.377%0.76776%0.756SS**  trans62.7135.2178.154.80000117.2
377S40.3Very low40.4Very low115 Ų115126 Ų12680%0.80476%0.764SS**  cis-158.1150.8-3.3-93.90000111.5
378G35.7Very low40.2Very low70 Ų70122 Ų12272%0.72276%0.757SS**  trans105108.4153.700000118.4
379S39Very low40.1Very low110 Ų110121.6 Ų121.677%0.76976%0.755SS**  trans49.171.1151.256.60000119.6
380S31.1Very low39.8Very low117 Ų117122.2 Ų122.282%0.81876%0.757SS**  4480.6123.563.30000119.4
381Q36.2Very low38.9Very low210 Ų210122.8 Ų122.898%0.98176%0.764SS**  trans-105.8100.7143.5-70.9-166.5-70.900109
382G33.8Very low38.4Very low65 Ų65121.8 Ų121.867%0.6777%0.766SS**  trans-155.1112.3-179.700000110.1S384G382-S384 PolarHBondContact O-N 3.42Å
383S36.3Very low38.1Very low132 Ų132119.8 Ų119.892%0.92377%0.771SS**  trans-67.7117.6-169.1540000112.7
384S33.8Very low37.8Very low99 Ų99121.3 Ų121.369%0.69277%0.771SS**  trans-139129.9173.354.60000112.1G382G382-S384 PolarHBondContact O-N 3.42Å
385Q33.7Very low37.5Very low174 Ų174124.7 Ų124.781%0.81378%0.78SS**  trans63.2149.8152-58.4-171.51600121.8
386Q32.9Very low37.6Very low174 Ų174125.4 Ų125.481%0.81379%0.787SS**  trans56.199.8161.8-63.9-174.820.100119.7
387A38.4Very low37.3Very low104 Ų104123 Ų12386%0.8679%0.787SS**  trans-14568.3156.500000111.2
388T38.5Very low37.1Very low124 Ų124125.5 Ų125.576%0.76179%0.791SS**  trans-63.8138.5159.3-26.20000106.5
389T39.6Very low37.5Very low94 Ų94131.1 Ų131.158%0.57780%0.798SS**  -171.812755.7-56.50000111.3
390Q38.1Very low37.4Very low178 Ų178130 Ų13083%0.83280%0.804SS**  trans60.7162.6156.2-65.8169.414.900117.5
391S36.9Very low37.8Very low107 Ų107128.2 Ų128.275%0.74880%0.804SS**  cis-170154.1-24.2-94.40000106.8
392A37.8Very low38Very low88 Ų88127.7 Ų127.773%0.72780%0.798SS**  cis-166-176.7-11.200000109
393S38.4Very low38.4Very low123 Ų123134 Ų13486%0.8681%0.81SS**  trans74.8141164.4-158.30000118.1
394S39.3Very low38.5Very low101 Ų101133.4 Ų133.471%0.70680%0.801SS**  trans-157.5146.2-173.1-79.60000111.4
395K43.4Very low38.9Very low196 Ų196138.3 Ų138.385%0.85281%0.81SS**  trans64.3-172.7156-62.1172.4175.7175.40114.3
396P43.5Very low38.8Very low128 Ų128133.4 Ų133.483%0.83181%0.806SS**  -135.3-172.7-77.942.9-27.7000112.8
397G35.6Very low39.4Very low74 Ų74131 Ų13176%0.76381%0.805SS**  trans-177.784.8166.300000114.9
398N37.2Very low39.7Very low168 Ų168136.9 Ų136.990%0.89881%0.805SS**  trans-114.9107.6171.5-143.718.9000108.5
399H43.7Very low39.8Very low188 Ų188137.2 Ų137.287%0.8780%0.802SS**  trans-133.7122.3175.3-88.7-79.3000111
400G36.6Very low39.8Very low86 Ų86137.9 Ų137.989%0.88781%0.811SS**  trans-93.9136.4169.700000111.1
401G40.2Very low39.8Very low79 Ų79134.8 Ų134.881%0.81481%0.809SS**  trans-143.2124.117200000110.6
402K40.4Very low40Very low200 Ų200135.8 Ų135.887%0.8781%0.813SS**  trans-109.5122170.5-73.8-175.7178.7179.50109
403H41.8Very low40.2Very low196 Ų196138.1 Ų138.191%0.90782%0.818SS**  trans-139.9152.6156.3-101.9-87.9000110.3
404T38.9Very low40.3Very low120 Ų120138.7 Ų138.774%0.73682%0.817SS**  trans-119134.6-167.347.80000112.6
405K41.6Very low40.4Very low203 Ų203139 Ų13988%0.88383%0.826SS**  165.1137.8128.7-88.9161.8-176.8-178.70109.6
406G31.6Very low39.9Very low70 Ų70139.4 Ų139.472%0.72282%0.821SS**  trans-80.4-177.8170.200000112.2
407P46.8Very low39.8Very low124 Ų124138.9 Ų138.981%0.80582%0.818SS**  -145.2148.987.739.3-25.3000117.3
408R43.7Very low40.2Very low228 Ų228141.4 Ų141.486%0.8681%0.81SS**  trans57.5141.1140-85-173.4173176.2-2.6123.8
409N41.7Very low40.2Very low131 Ų131139.1 Ų139.170%0.70180%0.802SS**  trans85.890.8144.5-669.6000120.9
410S38Very low40.1Very low108 Ų108136.4 Ų136.476%0.75580%0.799SS**  44.2104.8112.1-46.50000120.3
411S39.4Very low40.3Very low113 Ų113137 Ų13779%0.7980%0.795SS**  172.7139.8105.2-71.80000111.8
412P40Very low40.2Very low127 Ų127143.4 Ų143.483%0.82580%0.801SS**  trans-102.8132.5178.936-29.4000113.6
413T41.7Very low40.1Very low138 Ų138137.6 Ų137.685%0.84780%0.797SS**  trans-138.3135.3167.9-55.30000111.3
414T41.9Very low39.9Very low135 Ų135131.7 Ų131.783%0.82879%0.79SS**  trans-35.1136.6-175.349.40000120.9
415A39.8Very low40Very low108 Ų108132 Ų13289%0.89380%0.796SS**  trans-155.6147.8131.900000111.4
416R34.4Very low39.9Very low203 Ų203127.4 Ų127.477%0.76679%0.79SS**  trans-147.9127.3176163.6177.3172-179-1.3107.3E418R416-E418 PolarHBondContact NH2-OE1 3.3Å; R416-E418 IonicContact NH2-OE1 2.87Å; R416-E418 PolarHBondContact NE-OE1 3.31Å; R416-E418 VanDerWaalsContact CZ-OE1 3.22Å; R416-E418 IonicContact CZ-OE1 3.14Å; R416-E418 IonicContact NE-OE1 2.69Å
417P40.1Very low40.3Very low117 Ų117129.1 Ų129.176%0.7679%0.791SS**  -116.316092.6-2.424.6000111.2
418E44.4Very low40.1Very low128 Ų128132.4 Ų132.460%0.59879%0.793SS**  60.5131.559.9-65.6179.9-155.100113.4R416R416-E418 PolarHBondContact NH2-OE1 3.3Å; R416-E418 IonicContact NH2-OE1 2.87Å; R416-E418 PolarHBondContact NE-OE1 3.31Å; R416-E418 VanDerWaalsContact CZ-OE1 3.22Å; R416-E418 IonicContact CZ-OE1 3.14Å; R416-E418 IonicContact NE-OE1 2.69Å
419T37.2Very low39.9Very low119 Ų119126.3 Ų126.373%0.7379%0.792SS**  cis-154173.49.2-5.10000112.2
420T42.8Very low39.8Very low132 Ų132125.5 Ų125.581%0.8179%0.791SS**  trans68.3107.4158.9-52.10000118.5
421A39.6Very low39.7Very low97 Ų97129.5 Ų129.580%0.80280%0.798SS**  trans-78.1148.816600000112.1
422K39.6Very low39.4Very low215 Ų215129 Ų12994%0.93579%0.794SS**  trans-80.9138.8173.2-64179.2179.9178.90111.1
423G37.1Very low39.3Very low77 Ų77130.1 Ų130.179%0.79480%0.799SS**  trans-110.3124.116000000110.2
424G37.8Very low39Very low72 Ų72127 Ų12774%0.74280%0.795SS**  trans-76.3175.116100000111.1
425S40.8Very low38.5Very low126 Ų126126.8 Ų126.888%0.88180%0.799SS**  cis-149.7172.516.5-64.90000112.4
426S40.3Very low38.4Very low108 Ų108127.6 Ų127.676%0.75580%0.797SS**  trans-71176.6171.6620000111.8
427S40.2Very low38.3Very low106 Ų106121.5 Ų121.574%0.74180%0.798SS**  cis-152.7163.624.2-50.50000113.1
428K42.3Very low38.3Very low192 Ų192121.6 Ų121.684%0.83580%0.801SS**  trans-71.3154167.5-70-176.9176.9-177.80112.2
429A39.8Very low38Very low101 Ų101120.5 Ų120.584%0.83581%0.808SS**  trans-130.6155137.600000108.2
430T37.6Very low38.4Very low113 Ų113124.6 Ų124.669%0.69382%0.816SS**  trans-152.2135.4-176.1-57.90000109.7
431Q37.9Very low38.2Very low193 Ų193123.6 Ų123.690%0.90281%0.814SS**  trans-150.3148.5165.8-149.5165.53.500109.6
432S31.2Very low38.7Very low102 Ų102125.3 Ų125.371%0.71382%0.815SS**  trans-144.2134.3-173.1-59.10000111.9
433T39.3Very low38.8Very low151 Ų151119.2 Ų119.293%0.92680%0.804SS**  trans-170.1152165.930.60000105.9
434G35.1Very low39Very low73 Ų73125.1 Ų125.175%0.75381%0.808SS**  cis174.3149.1-3.500000107.9
435S31.5Very low39.6Very low130 Ų130128.7 Ų128.791%0.90982%0.816SS**  trans-106124.4-164.1-56.30000115.5
436S37.5Very low39.8Very low124 Ų124131 Ų13187%0.86781%0.813SS**  trans179.4159.7157.646.10000109.1
437G31.3Very low40.5Very low76 Ų76130.8 Ų130.878%0.78481%0.809SS**  cis135.389.8-7.400000113.8
438S40Very low41.2Very low118 Ų118131.2 Ų131.283%0.82581%0.807SS**  trans175.2164.1172.7179.20000111.2
439S38.7Very low41.4Very low106 Ų106130.9 Ų130.974%0.74181%0.808SS**  178.1128.5-54.9-910000111.8
440K46.6Very low41.6Very low205 Ų205129.3 Ų129.389%0.89180%0.802SS**  trans172.3123163.9-99.1159.1-177.1-179.90107.1
441S37.3Very low42.2Very low110 Ų110132 Ų13277%0.76981%0.812SS**  cis74.3131.634.8-136.90000113
442T51.3Low42.5Very low134 Ų134128.7 Ų128.782%0.82281%0.805SS**  cis-140170.823.3460000116.2
443A40.1Very low43.3Very low86 Ų86129.8 Ų129.871%0.71181%0.807SS**  trans-72.4-172.5171.900000113.9
444K41.4Very low43.5Very low201 Ų201127.8 Ų127.887%0.87480%0.799SS**  cis-175.9141-12-128.6-175.1-178.4-161.50107.7
445T51.2Low44Very low148 Ų148129.4 Ų129.491%0.90880%0.799SS**  trans-154.7146.8161.8-35.10000112.5
446E45.3Very low44.7Very low174 Ų174127.9 Ų127.981%0.81379%0.788SS**  trans-147.4172.3173.6-121.3-163.5118.200107.9
447P55.1Low45Very low104 Ų104126.5 Ų126.568%0.67578%0.779SS**  cis-117.4-141.127.526-0.4000112.6
448T53.5Low45.6Very low115 Ų115132.3 Ų132.371%0.70679%0.786SS**  cis-162.5171.119-30.60000113.5
449H46.6Very low45.5Very low184 Ų184130.3 Ų130.385%0.85278%0.784SS**  trans-70169.1171.2-41.7-70.3000113.7
450G45Very low45.7Very low68 Ų68130.7 Ų130.770%0.70179%0.787SS**  cis-143.1-175.7-1.900000110.1
451D49.7Very low45.4Very low170 Ų170126.5 Ų126.591%0.90978%0.783SS**  cis-152.4-178.141.1-104.7-39.2000114.3
452V44Very low45.6Very low124 Ų124130.3 Ų130.375%0.75279%0.788SS**  trans-92.7141.9-169.9176.40000111.3
453T48.8Very low45.2Very low125 Ų125132.9 Ų132.977%0.76779%0.791SS**  -159.4138.486.948.60000115.9
454S43.3Very low45.2Very low108 Ų108133.3 Ų133.376%0.75580%0.795SS**  trans29136.3131.6-53.60000120.6
455S46Very low45.3Very low107 Ų107129.3 Ų129.375%0.74879%0.787SS**  cis-164.5167.220.5510000114.6
456S45.1Very low44.8Very low98 Ų98129 Ų12969%0.68579%0.785SS**  trans14.1143.8148.6590000121.6
457S44.2Very low44.8Very low96 Ų96128.4 Ų128.467%0.67178%0.782SS**  cis-172.1159.51.3-102.40000111.9
458Q43.2Very low43.8Very low197 Ų197129 Ų12992%0.92179%0.789SS**  trans41.5127.8146.8-61.8173.8-40.800121.1
459G39.4Very low43Very low76 Ų76128.5 Ų128.578%0.78480%0.797SS**  trans179.965.4170.300000117.3
460S43.2Very low42.7Very low115 Ų115125 Ų12580%0.80479%0.793SS**  trans-10.5126.3171.157.10000119.7
461S39.2Very low42.7Very low116 Ų116127.3 Ų127.381%0.81180%0.798SS**  trans-70.2139.9162.455.20000112.8
462Q42.2Very low42.7Very low190 Ų190128.4 Ų128.489%0.88880%0.795SS**  trans-132129.2154.6-73.1-164.52.300110.4
463Q42.6Very low43.5Very low188 Ų188128.4 Ų128.488%0.87980%0.798SS**  trans-96.1138.2168-69.7-176-13.200109.6
464A40Very low43.1Very low95 Ų95125.7 Ų125.779%0.78580%0.795SS**  trans-13287173.500000110.3
465T42.7Very low43.1Very low118 Ų118130.6 Ų130.672%0.72480%0.802SS**  trans-106.682.8179.5-52.70000110.1Q467T465-Q467 PolarHBondContact O-N 3.41Å
466T42.1Very low43.3Very low140 Ų140134.6 Ų134.686%0.85981%0.809SS**  trans-71.3115-177.7-52.50000111.6
467Q44.3Very low43.1Very low162 Ų162133.6 Ų133.676%0.75781%0.814SS**  trans-91.6149.4176.9-68.1-170.4-5.200113.4T465T465-Q467 PolarHBondContact O-N 3.41Å
468S34.1Very low43.1Very low117 Ų117132.9 Ų132.982%0.81882%0.822SS**  trans53.6100.2143.9-61.50000120.3
469A37.3Very low43.3Very low104 Ų104132.7 Ų132.786%0.8682%0.818SS**  trans-13598.2149.600000110.3
470S40.8Very low43.5Very low112 Ų112138.5 Ų138.578%0.78382%0.824SS**  trans-119.699.2-178.5-1750000110.8
471S45.3Very low43.7Very low115 Ų115138.5 Ų138.580%0.80482%0.819SS**  trans-124.293.7-175.5-56.60000111.1
472K49.1Very low44Very low193 Ų193141.6 Ų141.684%0.83982%0.821SS**PPolyproline II helixtrans-73.6130.7174.2-69175.9-179.5171.20110.4G474K472-G474 PolarHBondContact O-N 3.47Å
473P59.7Low43.7Very low125 Ų125136.1 Ų136.181%0.81282%0.815SS**PPolyproline II helixtrans-63.9126.6170.7-22.233.9000111.8
474G40.9Very low44.5Very low68 Ų68133.7 Ų133.770%0.70182%0.815SS**PPolyproline II helixtrans-70.8132.417800000112.8K472 H476K472-G474 PolarHBondContact O-N 3.47Å; G474-H476 PolarHBondContact O-N 3.16Å
475K44.1Very low44.7Very low210 Ų210138.3 Ų138.391%0.91382%0.818SS**  trans-8798.1176.4-68.1-178.8179.91780111.3G477K475-G477 PolarHBondContact O-N 3.24Å
476H49.6Very low44.7Very low191 Ų191142.3 Ų142.388%0.88483%0.825SS**  trans-87.688.5167.5-82.1-80.5000111.9G474 G478G474-H476 PolarHBondContact O-N 3.16Å; H476-G478 PolarHBondContact O-N 2.87Å
477G41.1Very low44.7Very low77 Ų77141.5 Ų141.579%0.79483%0.826SS**  trans-89.276172.800000112.7K475 K479K475-G477 PolarHBondContact O-N 3.24Å; G477-K479 PolarHBondContact O-N 2.71Å
478G44.3Very low44.7Very low81 Ų81139.3 Ų139.384%0.83583%0.828SS**  trans-76.3101177.700000113.1H476H476-G478 PolarHBondContact O-N 2.87Å
479K46.6Very low45.4Very low194 Ų194139.3 Ų139.384%0.84383%0.825SS**  trans-108.4116.6164.8-75-174.4177.9-178.90109.9G477G477-K479 PolarHBondContact O-N 2.71Å
480H44.5Very low45.7Very low197 Ų197140.1 Ų140.191%0.91282%0.819SS**  trans-128.9137.7160.5-93-87000110.1
481T47.6Very low46Very low115 Ų115141.5 Ų141.571%0.70682%0.823SS**  trans-117.3147.8-166.529.40000112.2
482H46.4Very low45.8Very low182 Ų182140.8 Ų140.884%0.84383%0.825SS**  trans42.597.3157.5-52.6-54.2000118.8
483G34.5Very low45.2Very low74 Ų74141.3 Ų141.376%0.76382%0.821SS**  trans-76.5154.3162.200000113.5
484P59.8Low44.2Very low137 Ų137141.6 Ų141.689%0.8982%0.823SS**  trans-78174.3176.232.9-35.6000113.5
485K44.4Very low44.1Very low192 Ų192145.5 Ų145.584%0.83582%0.823SS**  trans-93.2138.5-168.1-67.1171.2-178.6168.50114.2
486K41.3Very low43.6Very low202 Ų202141 Ų14188%0.87881%0.814SS**  trans48.7104140.4-61.8-177.4176.9-171.40119.7
487S42.4Very low43.3Very low124 Ų124138 Ų13887%0.86781%0.809SS**  -156.6162.9123.843.50000109.7
488S45.6Very low43.2Very low115 Ų115138.1 Ų138.180%0.80481%0.81SS**  trans-114.1-173.1-158.6-46.80000112.7
489P48.3Very low42.9Very low117 Ų117144.4 Ų144.476%0.7681%0.814SS**  -126.2-172.4-9839.7-22.1000113
490T43.1Very low42.4Very low121 Ų121139 Ų13974%0.74281%0.814SS**  trans179.2128.1134.8-79.80000112.2
491T48.2Very low42.1Very low141 Ų141133.6 Ų133.687%0.86581%0.812SS**  trans55.9146.3174.943.10000118.3
492A39.7Very low41.6Very low101 Ų101133.3 Ų133.384%0.83581%0.814SS**  cis-123171.35.700000113.1
493R36.7Very low41.1Very low204 Ų204130 Ų13077%0.7781%0.811SS**  trans-145138-173.9164.9169.4-176.8-131.4-5.4109.6Q495R493-Q495 PolarHBondContact NH2-O 2.69Å
494P38.4Very low41.4Very low131 Ų131132.2 Ų132.285%0.85182%0.815SS**  -138.7125.8109.730.7-14.6000114.1
495Q39.4Very low40.4Very low149 Ų149135.3 Ų135.370%0.69682%0.815SS**  trans-129.9115.2161.4-101.4-169.8-11.400109.6R493R493-Q495 PolarHBondContact NH2-O 2.69Å
496T34.1Very low40.2Very low116 Ų116130.6 Ų130.671%0.71281%0.811SS**  trans45.1147.8137.360.10000122.8
497T42Very low40.1Very low129 Ų129127.4 Ų127.479%0.79181%0.809SS**  trans83.697.8152.7-35.40000117.8
498G39.3Very low39.7Very low79 Ų79130.4 Ų130.481%0.81481%0.809SS**  trans-122.5151.8154.100000110.2
499K39.2Very low39.3Very low212 Ų212130.5 Ų130.592%0.92281%0.81SS**  trans-119.2135.6173.4-73.4-176.5177.6179.90110
500G36.3Very low38.8Very low82 Ų82131.1 Ų131.185%0.84581%0.812SS**  trans137.3162.9166.100000113.7
501G37.3Very low38.5Very low83 Ų83134.5 Ų134.586%0.85682%0.819SS**  trans105.785.8165.200000116.3
502S36.4Very low37.8Very low109 Ų109131.7 Ų131.776%0.76282%0.818SS**  trans-46.6153.2172.6-45.90000118
503S36.3Very low37.8Very low111 Ų111133.1 Ų133.178%0.77682%0.822SS**  trans59.4130.215149.20000119.2
504S41.2Very low37.8Very low121 Ų121126.9 Ų126.985%0.84682%0.821SS**  -158.2174.973.8-70.60000114.7
505K39.8Very low37.9Very low203 Ų203126.2 Ų126.288%0.88382%0.82SS**  trans-75.6141.3-178.4-66177176.5177.90113.9
506A39.6Very low37.9Very low92 Ų92124.3 Ų124.376%0.7682%0.823SS**  trans-151.1111.9137.900000105.9
507T38.2Very low38.1Very low136 Ų136129 Ų12983%0.83483%0.833SS**  77.4125.971.1-550000112.2
508Q35Very low37.9Very low187 Ų187128.4 Ų128.487%0.87483%0.834SS**  trans-90.2150.5-172.1-59.7159.8-93.700112.5
509S36.4Very low38Very low117 Ų117131.1 Ų131.182%0.81884%0.836SS**  trans178.6145.5156-100.40000108.6
510T38.4Very low38.3Very low130 Ų130124.4 Ų124.480%0.79883%0.826SS**  cis-150.6160.7-11.1-72.60000107.6
511E36.8Very low38.7Very low192 Ų192130.3 Ų130.390%0.89783%0.828SS**  trans-73158.6-179.8-63.3173.3109.800114.4
512G33.4Very low39.4Very low82 Ų82133 Ų13385%0.84583%0.828SS**  trans-145.2134.2164.700000109
513S39.9Very low39.9Very low131 Ų131136.4 Ų136.492%0.91683%0.83SS**  trans-125.5162.5-155.757.10000114.4
514G36.3Very low41Very low73 Ų73136.7 Ų136.775%0.75383%0.829SS**  trans175.3103.9172.600000116.2
515S41.2Very low41.4Very low116 Ų116137 Ų13781%0.81183%0.825SS**  trans50.7141.1135.2-171.90000121.5
516S39.2Very low41.5Very low109 Ų109135.9 Ų135.976%0.76282%0.823SS**  cis-167.3155.9-16.2-82.60000108.2
517K37.2Very low41.6Very low214 Ų214135 Ų13593%0.9382%0.823SS**  trans-144.7125.4162.9-110.4179.2-179.4177.20110.5
518S39Very low41.6Very low117 Ų117135.6 Ų135.682%0.81882%0.821SS**  trans-96.1146.6-179.4-177.70000111.7
519T40.2Very low42.1Very low137 Ų137133.1 Ų133.184%0.8482%0.819SS**  trans-134.771.8173.542.80000110.7
520G46.1Very low42.3Very low70 Ų70134.1 Ų134.172%0.72282%0.82SS**  trans-67.9133170.200000112
521K44.8Very low42.5Very low206 Ų206133.4 Ų133.490%0.89682%0.82SS**  trans-110.9122.2167.6-73.8-176.6178.3179.70109.2
522T52.4Low42.8Very low139 Ų139130.2 Ų130.285%0.85382%0.819SS**  trans-139.7140.1167.8-32.80000108.5
523K47Very low43.1Very low182 Ų182132.2 Ų132.279%0.79182%0.82SS**  trans-113.3113.7-176.8178.7-162.9172.6-1660109.5
524P59.1Low43.1Very low116 Ų116131.4 Ų131.475%0.75381%0.814SS**PPolyproline II helixtrans-71.7147.9163.3-14.830.8000111
525T50.5Low43.3Very low127 Ų127137.5 Ų137.578%0.77982%0.823SS**PPolyproline II helixtrans-94152.4168.3-45.30000108.8
526H40.7Very low43.4Very low181 Ų181135.8 Ų135.884%0.83882%0.824SS**PPolyproline II helixtrans-66147.8172.7-77.1-104.3000111.5
527G42.7Very low43.8Very low73 Ų73136.1 Ų136.175%0.75383%0.827SS**  trans-161.5117.5167.200000108.3
528D37.7Very low43.9Very low148 Ų148131.2 Ų131.279%0.79182%0.819SS**  trans-87.6131.7-172.4-55.1-70.4000111.9
529V46Very low44.1Very low136 Ų136135.2 Ų135.282%0.82483%0.825SS**  trans-142.6105154.8-175.40000109.2
530T39.3Very low44.3Very low138 Ų138137.9 Ų137.985%0.84783%0.828SS**  trans-100109.2161.546.70000109.2
531S43.9Very low44.1Very low114 Ų114138.9 Ų138.980%0.79783%0.829SS**  trans-158.2103.8166.9-91.30000111.2
532S41.7Very low43.9Very low125 Ų125135.1 Ų135.187%0.87482%0.823SS**  trans-157101.7162.857.50000109.4
533S40.3Very low43.7Very low125 Ų125135 Ų13587%0.87482%0.823SS**  trans-81.2156.6175.539.80000111.7
534S39.9Very low43.6Very low113 Ų113133.9 Ų133.979%0.7982%0.821SS**  trans-67.9145-171.5-43.40000114.7
535Q41.2Very low42.5Very low201 Ų201133.7 Ų133.794%0.93982%0.822SS**  172.4151.7120.6-94.4175.5-5.400110.9
536G43.3Very low42Very low81 Ų81132.6 Ų132.684%0.83583%0.825SS**  trans138.7126.6171.200000114.9
537S47.4Very low42.1Very low116 Ų116129.1 Ų129.181%0.81182%0.822SS**  trans-83.1139.7-171.141.80000115.7
538S38.3Very low42.4Very low110 Ų110131 Ų13177%0.76982%0.823SS**  trans-8.6128.5154.456.20000120.5
539Q44Very low42.9Very low201 Ų201132.8 Ų132.894%0.93982%0.824SS**  trans-141.1167.8137.2-90.5-164.25.700110.7
540Q43.7Very low43.8Very low193 Ų193132.4 Ų132.490%0.90282%0.824SS**  trans-86141.9-165.4-63.5176.1-17.200114.2
541A41.9Very low44.1Very low91 Ų91129 Ų12975%0.75282%0.817SS**  trans-151.398.7161.800000111.6T543A541-T543 PolarHBondContact O-N 2.87Å
542T41Very low44.1Very low127 Ų127133.8 Ų133.878%0.77982%0.823SS**  trans-9289.2176.1-55.50000110.9Q544T542-Q544 PolarHBondContact O-N 2.64Å
543T48.5Very low44.7Very low138 Ų138136.9 Ų136.985%0.84782%0.823SS**  trans-74.9113.9177.6-54.10000111.3A541A541-T543 PolarHBondContact O-N 2.87Å
544Q45.2Very low44.7Very low158 Ų158134.8 Ų134.874%0.73882%0.822SS**  trans-89.6152.6179.5-64.5-1711.300113.6T542T542-Q544 PolarHBondContact O-N 2.64Å
545S35.1Very low45.2Very low112 Ų112132.8 Ų132.878%0.78382%0.819SS**  trans54.9104.9142.1-640000120.6
546A40.3Very low45.6Very low103 Ų103132.7 Ų132.785%0.85182%0.815SS**  trans-129.872.3150.300000110.9
547S43.8Very low45.9Very low108 Ų108137.8 Ų137.876%0.75582%0.817SS**  trans-99.188.2178.6-166.90000111.9K549S547-K549 PolarHBondContact O-N 2.67Å
548S48.6Very low46Very low113 Ų113139 Ų13979%0.7982%0.82SS**  trans-90.691.7179.543.20000112.2P550S548-P550 WeakPolarHBondContact O-CD 3.46Å
549K48.4Very low46.5Very low186 Ų186144 Ų14481%0.80983%0.827SS**PPolyproline II helixtrans-71.8123.8169.8-71.1174.2-178.81670110.5S547 G551S547-K549 PolarHBondContact O-N 2.67Å; K549-G551 PolarHBondContact O-N 2.75Å
550P63.5Low46.3Very low128 Ų128137.9 Ų137.983%0.83182%0.819SS**PPolyproline II helixtrans-63.9132.7171.3-22.434.7000111.9S548S548-P550 WeakPolarHBondContact O-CD 3.46Å
551G46.9Very low46.2Very low66 Ų66134.5 Ų134.568%0.6881%0.813SS**PPolyproline II helixtrans-69150.1179.100000113.7K549 H553K549-G551 PolarHBondContact O-N 2.75Å; G551-H553 PolarHBondContact O-N 2.69Å; G551-H553 VanDerWaalsContact O-N 3.16Å
552K43.8Very low46.3Very low214 Ų214140.1 Ų140.193%0.9382%0.821SS**  trans-77.795.4-177.8-65177.3-178.6174.80112.3
553H53.3Low46.5Very low191 Ų191141.2 Ų141.288%0.88482%0.822SS**  trans-95.899.5163.3-86.5-86.7000111.8G551 G555G551-H553 PolarHBondContact O-N 2.69Å; G551-H553 VanDerWaalsContact O-N 3.16Å; H553-G555 PolarHBondContact O-N 2.68Å
554G41.5Very low46.2Very low81 Ų81140.4 Ų140.484%0.83582%0.822SS**  trans-86.476179.200000113.8
555G50.1Low46.1Very low71 Ų71138.3 Ų138.373%0.73283%0.825SS**  trans-87.311617200000112.5H553H553-G555 PolarHBondContact O-N 2.68Å
556K48.4Very low46.6Very low198 Ų198138.5 Ų138.586%0.86182%0.823SS**  trans-90.6110.9176.6-69.2-178.2-178.7177.10111.4
557H50.7Low46.7Very low188 Ų188140 Ų14087%0.8782%0.822SS**  trans-123.6132.7159-78.4-86.9000110.7
558T48.8Very low47Very low142 Ų142141.4 Ų141.487%0.87183%0.826SS**  trans-90.5154.2-170.138.20000112.9
559K48.2Very low46.7Very low214 Ų214140.1 Ų140.193%0.9382%0.823SS**  trans-70.5141.5-172.8-57.9177.9-179.3-179.70112.5
560G39.6Very low46.2Very low74 Ų74140.7 Ų140.776%0.76382%0.82SS**  trans-158.7110.8166.800000110.1
561P42.8Very low45.4Very low121 Ų121140.5 Ų140.579%0.78682%0.819SS**  trans-96.9155-164.436.1-35.7000114.6
562K43.5Very low45.5Very low209 Ų209144.1 Ų144.191%0.90982%0.818SS**  trans-159.6133.7151-111.6161.9-173.1176.50111.2
563N44.9Very low45.7Very low150 Ų150140.5 Ų140.580%0.80281%0.814SS**  trans-84.2145.1178-57.5-8.5000110.7
564S42.4Very low45.3Very low122 Ų122137.7 Ų137.785%0.85381%0.81SS**  175.6146128.3-76.30000110.8
565S43Very low45.8Very low113 Ų113138.6 Ų138.679%0.7981%0.81SS**  trans-79.4142.8-170.6-46.10000114
566P45.2Very low45.3Very low116 Ų116144.9 Ų144.975%0.75382%0.817SS**  trans-89.5116.8161.233.1-28.1000110.7
567T43.8Very low44.8Very low134 Ų134139.5 Ų139.582%0.82282%0.818SS**  trans-98.2106.1167.8-57.60000109
568T50.4Low44.6Very low139 Ų139134.5 Ų134.585%0.85382%0.817SS**  trans-77.4135.2-179.3-35.10000111.2
569A41.6Very low44.2Very low86 Ų86133.4 Ų133.471%0.71182%0.816SS**  trans-146.9124.7176.400000113.4
570R38.5Very low44.1Very low197 Ų197128.6 Ų128.674%0.74381%0.809SS**  trans67.5141.9161.2-148156.8174.1-144.61.4115.4E572R570-E572 HydrophobicContact CG-CB 4.45Å; R570-E572 HydrophobicContact CG-CG 4.36Å; R570-E572 IonicContact CZ-OE2 3.89Å; R570-E572 IonicContact NE-OE2 2.69Å; R570-E572 PolarHBondContact NE-OE2 3.02Å; R570-E572 IonicContact NH2-OE2 3.75Å; R570-E572 PolarHBondContact NH2-OE2 3.03Å
571P46.1Very low44.3Very low125 Ų125130.5 Ų130.581%0.81281%0.81SS**  -127147.394.636.7-31.6000113
572E49.6Very low44.3Very low141 Ų141134.4 Ų134.466%0.65982%0.815SS**  trans-123.4123.3157.3-77.5180127.300106.4R570R570-E572 HydrophobicContact CG-CB 4.45Å; R570-E572 HydrophobicContact CG-CG 4.36Å; R570-E572 IonicContact CZ-OE2 3.89Å; R570-E572 IonicContact NE-OE2 2.69Å; R570-E572 PolarHBondContact NE-OE2 3.02Å; R570-E572 IonicContact NH2-OE2 3.75Å; R570-E572 PolarHBondContact NH2-OE2 3.03Å
573T46.8Very low44.3Very low138 Ų138129.2 Ų129.285%0.84781%0.811SS**  trans-90.2132.4176.443.80000110.1
574T45Very low44.1Very low132 Ų132128.2 Ų128.281%0.8181%0.81SS**  trans-124.198.1170-51.90000109
575A51.9Low44.1Very low101 Ų101131.7 Ų131.784%0.83581%0.813SS**  trans-72.3150.7170.100000110.6
576K39.2Very low43.8Very low202 Ų202131.9 Ų131.988%0.87882%0.815SS**  trans-129.8148.6173.9-78.7-173.4175.3-1770109.9
577G39.6Very low43.7Very low86 Ų86133.2 Ų133.289%0.88782%0.82SS**  trans99.6133.8165.700000113.5
578G45.7Very low43.5Very low82 Ų82129.7 Ų129.785%0.84581%0.811SS**  trans148.565.5-176.400000112
579S41.3Very low43.1Very low120 Ų120128.8 Ų128.884%0.83981%0.81SS**  trans-97.2130.2180-53.30000111.3
580S44.6Very low43.1Very low112 Ų112129.9 Ų129.978%0.78381%0.813SS**  trans-179.1159.7140.350.30000113.6
581S45.4Very low43Very low114 Ų114124.4 Ų124.480%0.79782%0.818SS**  trans56109152.6-56.60000120.5
582K42.8Very low42.5Very low204 Ų204123.9 Ų123.989%0.88782%0.817SS**  trans-65.4144.6152.8-69.7-179.5176.6-179.20110.1
583A42.7Very low42Very low99 Ų99122.8 Ų122.882%0.81883%0.825SS**  trans-132.1134.2148.300000108.4
584T40.1Very low41.5Very low130 Ų130125.9 Ų125.980%0.79883%0.827SS**  trans-141117.7172.8-54.60000106.6
585Q42.9Very low40.9Very low195 Ų195124.5 Ų124.591%0.91182%0.822SS**  trans-123.3140.9172.4-79.1-176.9-4300109.1
586S35.9Very low40.2Very low117 Ų117125.6 Ų125.682%0.81882%0.819SS**  trans-143.3118.3-178.9179.60000108
587T44.7Very low40.1Very low143 Ų143120.4 Ų120.488%0.87781%0.814SS**  trans-159.2139.4176.8450000106.9
588G39.4Very low40.2Very low60 Ų60125.9 Ų125.962%0.61981%0.813SS**  cis-141.1168.1-5.200000110.1
589S41.9Very low40.1Very low121 Ų121127.7 Ų127.785%0.84681%0.808SS**  83.9141.186-61.80000113.8
590S40.3Very low40Very low109 Ų109129.2 Ų129.276%0.76280%0.802SS**  cis-176.4120.2-21.145.50000110.3
591G37.5Very low40.3Very low82 Ų82129 Ų12985%0.84580%0.797SS**  trans65.2-171.7172.200000115.3
592S36.1Very low40.4Very low114 Ų114127.6 Ų127.680%0.79779%0.785SS**  cis-161.8157.7-19.7-1610000111
593S38.5Very low40.7Very low118 Ų118126.6 Ų126.683%0.82578%0.782SS**  trans66.7157.4159.7-68.60000121
594K35.4Very low40.6Very low203 Ų203125 Ų12588%0.88378%0.776SS**  trans-74.5149169.7-49.7164.8-177.1173.90109.8
595S32.4Very low40.3Very low102 Ų102126.4 Ų126.471%0.71378%0.779SS**  168137.5109.4-156.10000114.2
596T37.5Very low40.4Very low125 Ų125123.1 Ų123.177%0.76777%0.772SS**  trans3312814457.40000123.8
597A36.4Very low40.7Very low93 Ų93123.8 Ų123.877%0.76977%0.771SS**  trans88.6162.6131.400000121.3
598K43.5Very low40.3Very low200 Ų200122.6 Ų122.687%0.8777%0.769SS**  trans81.3125.8175.7-63.7-175.4-179.6-176.40115.8
599T42.7Very low40.5Very low121 Ų121124.8 Ų124.874%0.74278%0.775SS**  cis-151.1146.5-1.8-69.50000111.9
600E40Very low40.4Very low151 Ų151123.7 Ų123.771%0.70677%0.767SS**  trans-14.5170.4149-91.3-168.611500121.7T602E600-T602 WeakPolarHBondContact OE1-CG2 3.19Å
601P49.3Very low40.4Very low107 Ų107123.9 Ų123.970%0.69577%0.768SS**  cis-138.9155.628.344-26.5000120.3
602T47.7Very low40.5Very low86 Ų86129.7 Ų129.753%0.52877%0.773SS.*  trans30.8149.1135.371.50000122E600E600-T602 WeakPolarHBondContact OE1-CG2 3.19Å
603H49.3Very low40.7Very low182 Ų182127.3 Ų127.384%0.84377%0.767SS**  cis-142.4168.86.6-67.7-85000108.1
604G40.4Very low40.9Very low67 Ų67127.3 Ų127.369%0.69177%0.767SS**  cis-179.7166.7-200000110.5
605D35.4Very low41.3Very low158 Ų158121.8 Ų121.885%0.84575%0.754SS**  trans-75.2172-174.2-52.2-91.5000114.9
606V44.2Very low41.9Very low127 Ų127125.1 Ų125.177%0.7776%0.758SS**  170148.5117.6155.40000113.3
607T41.9Very low42.2Very low130 Ų130127 Ų12780%0.79876%0.758SS**  trans66.2110.7168.440.20000121.6
608S36.2Very low42.5Very low119 Ų119126.7 Ų126.783%0.83276%0.755SS**  trans-80.1147.8146-48.20000111.4
609S43.5Very low42.4Very low106 Ų106123.7 Ų123.774%0.74175%0.754SS**  trans-169.2113.9153.6-780000108
610S40.3Very low42.2Very low97 Ų97123.8 Ų123.868%0.67876%0.755SS**  50.999.78170.40000113.2
611S39.8Very low42.3Very low114 Ų114124.9 Ų124.980%0.79776%0.76SS**  82.9122.476.9-68.80000114
612Q40.1Very low41.6Very low204 Ų204125.4 Ų125.495%0.95377%0.766SS**  trans156162.7138.1-86.9179.4-19.800112.6
613G39.8Very low41.2Very low64 Ų64126.3 Ų126.366%0.6678%0.782SS**  trans113.367.2-169.900000112.4
614S43.7Very low41Very low118 Ų118123.2 Ų123.283%0.82578%0.781SS**  49.2132.57278.80000113.4
615S44.2Very low41.1Very low87 Ų87125.2 Ų125.261%0.60879%0.785SS**  cis-167.9151.634.652.80000114.7
616Q44.9Very low41.5Very low172 Ų172127 Ų12780%0.80479%0.785SS**  trans65.1153151.1-63.8159.818.700117.1
617Q43.8Very low41.6Very low164 Ų164126.9 Ų126.977%0.76679%0.787SS**  cis-150.1158.6-6.3-121.51705.700108.4
618A42.3Very low41.4Very low86 Ų86124.2 Ų124.271%0.71179%0.785SS**  37.9135.1111.800000116.8
619T41.3Very low41.8Very low137 Ų137127.5 Ų127.584%0.8478%0.784SS**  cis-149.7168.621.8-53.70000112.8
620T37.8Very low42Very low124 Ų124131.1 Ų131.176%0.76179%0.789SS**  trans-76167.2-177.9-36.70000116.4
621Q41.8Very low42.1Very low173 Ų173130.4 Ų130.481%0.80880%0.797SS**  trans104.992.9152.8-58.9-166.9-1.700120.8
622S34.7Very low42.3Very low119 Ų119128.7 Ų128.783%0.83280%0.797SS**  41.6146.9118.8-55.30000124.5
623A40Very low43.1Very low105 Ų105127.8 Ų127.887%0.86879%0.79SS**  trans80.9150171.700000115.7
624S44.1Very low43.5Very low117 Ų117132 Ų13282%0.81879%0.792SS**  cis-141.7-170.17.976.60000114.2
625S42.5Very low43.9Very low109 Ų109131 Ų13176%0.76278%0.781SS**  trans-78.2152.4-165.2-57.60000117.2
626K43.8Very low44.2Very low195 Ų195135.2 Ų135.285%0.84879%0.791SS**  trans0.8161.1133.6-67.1178-179.4175.70119
627P46.2Very low44.1Very low124 Ų124130.9 Ų130.981%0.80579%0.792SS**  cis-146.6159.6-28.238.5-19.8000117.3
628G38Very low44.7Very low74 Ų74128.8 Ų128.876%0.76379%0.793SS**  trans111.9165.4130.100000122.3
629K44.8Very low44.9Very low189 Ų189134.3 Ų134.382%0.82280%0.801SS**  trans76109.6155.2-72.8-172.4171-177.30123.3
630H47.7Very low45.3Very low182 Ų182137.4 Ų137.484%0.84380%0.803SS**  trans71143.7133.2-64.1-64000124.1
631G42.5Very low45.5Very low82 Ų82136.6 Ų136.685%0.84580%0.803SS**  trans110.291.1156.400000114.4
632G45Very low45.8Very low77 Ų77133.5 Ų133.579%0.79480%0.8SS**  117.1165.578.900000109.3
633K55.9Low46.7Very low185 Ų185133.2 Ų133.280%0.80480%0.795SS**  cis-160.6148.3-0.9-96.7-167.7179.8-175.30110.1
634H48.8Very low46.9Very low154 Ų154134 Ų13471%0.71379%0.789SS**  trans66.6165.1146.7-73.9-127000120.6
635T51.5Low46.9Very low96 Ų96134.5 Ų134.559%0.58979%0.787SS**  cis-174.2153.9-44.140.40000109.3
636H50.4Low47Very low175 Ų175133.4 Ų133.481%0.8179%0.785SS**  cis-172.2113.1-26.9-93.5-24.4000111.8
637G43.6Very low47Very low81 Ų81135.9 Ų135.984%0.83579%0.789SS**  trans74-162.7155.500000119
638P56.8Low47.4Very low121 Ų121134.6 Ų134.679%0.78678%0.781SS**  cis-138.7161.3-1240.7-25.3000116.1
639K45.8Very low47.9Very low201 Ų201139.6 Ų139.687%0.87479%0.785SS**  trans-173.1119.2136.7-106.7159.9-173.2172.70115.4
640K49Very low48Very low202 Ų202136 Ų13688%0.87878%0.778SS**  trans58.6101151.8-61.7-167.1174.4-1710121
641S43.6Very low48.2Very low108 Ų108134 Ų13476%0.75578%0.779SS**  trans-75.9-171.8151.957.40000111
642S47Very low48.3Very low107 Ų107133.2 Ų133.275%0.74877%0.771SS**  cis-158171.834.1-62.80000114.2
643P52.8Low48.5Very low113 Ų113139.4 Ų139.473%0.73478%0.776SS**  trans-130.2-174.6-168.235.2-13.7000116.9
644T44.8Very low47.9Very low121 Ų121134.8 Ų134.874%0.74278%0.781SS**  trans90.9136.3148.4-31.60000121
645T44.6Very low47.6Very low128 Ų128131.3 Ų131.379%0.78579%0.787SS**  trans121.5140.2135.6-30.70000118.5
646A44.3Very low47.2Very low87 Ų87132.7 Ų132.772%0.71980%0.801SS**  trans80.2101.6155.500000122.4
647R43.9Very low47.1Very low246 Ų246130.2 Ų130.293%0.92880%0.803SS**  36.2161127-78.8-167.679.7152.2-0.1123.6
648P54.5Low47.3Very low98 Ų98131.7 Ų131.764%0.63680%0.801SS**  trans-127.2173.4-147.844.5-31.8000116.5
649E49.2Very low47Very low179 Ų179135.6 Ų135.684%0.83681%0.805SS**  trans-162.8108.3144.4-104.1164-158.400108
650T47.3Very low47.1Very low112 Ų112130 Ų13069%0.68780%0.796SS**  71.413289.161.30000117.8
651T51.5Low47.1Very low141 Ų141126.8 Ų126.887%0.86579%0.794SS**  trans77.8127.3161.7-26.80000117
652G44.9Very low47.5Very low65 Ų65131.2 Ų131.267%0.6780%0.803SS**  cis166.4174.4-11.700000115.1
653K49.2Very low47.6Very low207 Ų207131.4 Ų131.490%0.980%0.804SS**  trans5188.7156.1-61.3-179.3-178.4175.60119.1
654G41.9Very low48Very low89 Ų89132.8 Ų132.892%0.91881%0.81SS**  31.4148.9123.800000123.4
655G43Very low48.4Very low80 Ų80130.7 Ų130.783%0.82581%0.813SS**  trans-168.7104.2170.500000112
656S43.6Very low49.3Very low126 Ų126130.3 Ų130.388%0.88182%0.815SS**  trans-88127.2175.3-48.80000111
657S47.4Very low50.1Low123 Ų123135.4 Ų135.486%0.8685%0.846SS**  trans-166144.2144.544.20000113.2
658S47.8Very low50.4Low112 Ų112129.9 Ų129.978%0.78384%0.842SS**  trans-72.4160.416949.80000112.2
659K50.9Low50.2Low202 Ų202131.5 Ų131.588%0.87885%0.852SS**  165.8158.8105.6-173.4169.6-179.8-175.10112.4
660A47.9Very low50.2Low83 Ų83128.9 Ų128.969%0.68685%0.853SS**  trans71122.4175.700000114.1
661T49.7Very low50.4Low136 Ų136129.9 Ų129.983%0.83486%0.863SS**  cis77.798.833.2-47.10000113.8
662Q50.6Low50.3Low201 Ų201129.2 Ų129.294%0.93986%0.863SS**  trans-145.4143.6140.4-107.6172.94.500108.6
663S48.9Very low50.7Low110 Ų110133.5 Ų133.577%0.76988%0.876SS**  trans-127.1130.3178.456.50000109.2
664T62.2Low50.8Low142 Ų142128.2 Ų128.287%0.87187%0.874SS**  trans-121.8111.2165.748.40000107.5
665G53.3Low51.5Low78 Ų78131.2 Ų131.280%0.80487%0.871SS**  trans-78160.3169.800000111
666S63.1Low52.2Low119 Ų119135.5 Ų135.583%0.83288%0.875SS**  trans-119157.8168.5-62.70000109.3
667S60.6Low52.9Low194 Ų194136.4 Ų136.4100%1.35787%0.874SS**  trans-25.10175.357.30000116.6

Retrieved 667 of 667 residues in 69.7 ms (Link to these results)