A0A5K4F315_SCHMA Loading...

Bruno-like rna binding protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F315, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 722 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
1M42.1Very low43.9Very low231 Ų231159.8 Ų159.8100%1.13884%0.835SS**  0-31.50-75.1174.9174.100113.7A3M1-A3 PolarHBondContact O-N 3.03Å
2M40.2Very low43.6Very low191 Ų191153.3 Ų153.394%0.94181%0.81SS**THydrogen-bonded Turntrans-69.818.5173.4-75.6-178.6159.300116
3A45.7Very low42.8Very low84 Ų84153.5 Ų153.569%0.69481%0.81SS**THydrogen-bonded Turntrans-112.86.2-168.900000114.7M1M1-A3 PolarHBondContact O-N 3.03Å
4T51.4Low42.4Very low118 Ų118153.9 Ų153.972%0.72481%0.805SS**SBendtrans-119.8-2.3-172.3-41.20000112.9
5L48.7Very low42.3Very low166 Ų166155.1 Ų155.187%0.86981%0.805SS**SBendtrans-99.916.7-174.5-128.1158.6000113.2
6L45.4Very low41.9Very low140 Ų140155 Ų15573%0.73380%0.801SS**SBendtrans-118.86.4-174.6-73.3169.6000114.5
7N46.8Very low41.6Very low146 Ų146150.6 Ų150.678%0.78179%0.793SS**  trans-101.528.9-175.9-75.96.4000114.4
8N45.2Very low41.3Very low164 Ų164150.7 Ų150.788%0.87780%0.795SS**SBendtrans-126.526178.7-108.6-65.9000113.5
9I39.8Very low41.1Very low154 Ų154151.4 Ų151.479%0.7979%0.793SS**SBendtrans-136.5127.5173.1-51.3178.1000107.9
10K38.1Very low40.8Very low187 Ų187149.1 Ų149.181%0.81379%0.787SS**  trans86.9103.7166.9-156.6148.5-177.4169.50118.3
11E39.3Very low40.2Very low177 Ų177147.4 Ų147.483%0.82778%0.783SS**  trans-151.1139.2141.1-104.6-55101.300109.3
12P40.4Very low39.7Very low82 Ų82145.3 Ų145.353%0.53277%0.772SS.*  trans-135163.1-17242.9-27.7000118.4
13L32.9Very low39.2Very low156 Ų156141.2 Ų141.282%0.81776%0.758SS**  trans78.5149.4148.6-77.2160.8000122.2
14H37.3Very low38.5Very low158 Ų158144.2 Ų144.273%0.73177%0.768SS**  trans73.193.6160.2-81.7-137.5000121.1
15H40.5Very low37.5Very low173 Ų173143.2 Ų143.280%0.80176%0.761SS**  -151.6157.1104.9-123.567000116.4
16M35.9Very low36.6Very low153 Ų153140.9 Ų140.975%0.75476%0.759SS**  trans-67174.7-171.2-58.9165.272.800115.4
17A36.9Very low35.9Very low80 Ų80141 Ų14166%0.66176%0.76SS**  cis179.6119.5-34.500000110
18N36.6Very low35.2Very low153 Ų153145.5 Ų145.582%0.81877%0.768SS**  trans176124.5144.3-102.3-35.2000113.1
19Q37Very low34.5Very low163 Ų163143.6 Ų143.676%0.76276%0.763SS**  trans41149.5138.6-53-64.99.800122.9
20P36Very low34.1Very low105 Ų105142.7 Ų142.768%0.68276%0.76SS**  cis-130.4154.2-23.637.2-21.2000114.7
21V27.9Very low33.7Very low114 Ų114141.9 Ų141.969%0.69176%0.763SS**  trans4.7114.7149.1-172.50000117.8T23V21-T23 WeakPolarHBondContact CG1-OG1 3.38Å
22M32.6Very low33.2Very low187 Ų187138.9 Ų138.992%0.92176%0.757SS**  trans-120.399142.7-86.8-130.7-98.700109.6V24M22-V24 PolarHBondContact O-N 2.83Å
23T28.1Very low32.7Very low106 Ų106143.6 Ų143.665%0.6577%0.774SS**  trans-78.6106175.8-40.40000109.4V21 T25V21-T23 WeakPolarHBondContact CG1-OG1 3.38Å; T23-T25 WeakPolarHBondContact CG2-OG1 3.27Å; T23-T25 PolarHBondContact O-N 3.49Å
24V32.5Very low32.7Very low147 Ų147144.4 Ų144.489%0.89178%0.779SS**  trans-80.770.3165.9-173.10000108.5M22M22-V24 PolarHBondContact O-N 2.83Å
25T29.3Very low32.1Very low96 Ų96143.7 Ų143.759%0.58978%0.78SS**  trans-71.2135.1172.4-28.40000109.1T23 N27T23-T25 WeakPolarHBondContact CG2-OG1 3.27Å; T23-T25 PolarHBondContact O-N 3.49Å; T25-N27 PolarHBondContact O-N 3.14Å
26S30.7Very low31.7Very low118 Ų118141.6 Ų141.683%0.82578%0.78SS**  trans-59.7126.5168.9-51.10000110.5
27N30Very low31.4Very low141 Ų141142 Ų14275%0.75478%0.777SS**  trans-136.6123.7164.2-90.2-41.1000109.3T25T25-N27 PolarHBondContact O-N 3.14Å
28Y32.4Very low31Very low241 Ų241146 Ų14695%0.94579%0.785SS**  trans-104.174.6-172.6-144.9-82.8000109.6
29T30.5Very low30.6Very low124 Ų124143.4 Ų143.476%0.76178%0.776SS**  trans-163.9138.4173.8360000106.5
30D30.5Very low30.2Very low136 Ų136141.7 Ų141.773%0.72778%0.777SS**  cis-127.6166.726.6-148.3-53.8000113.1T32D30-T32 PolarHBondContact OD1-OG1 2.85Å
31L29.8Very low30Very low170 Ų170142.5 Ų142.589%0.8979%0.785SS**  trans-125.538.3-169.3-162.684.1000113.1
32T28.9Very low30Very low113 Ų113144.8 Ų144.869%0.69379%0.793SS**  trans-140.656.9-16950.60000116.4D30D30-T32 PolarHBondContact OD1-OG1 2.85Å
33M30.7Very low30Very low182 Ų182143.5 Ų143.590%0.89779%0.79SS**SBendtrans-159.152.9159.2-122.4177.479.400118.3
34L31.9Very low30.2Very low173 Ų173145 Ų14591%0.90679%0.792SS**SBendtrans-174.566.5148.4-106.8166.1000111.3
35N25.9Very low30.3Very low142 Ų142144.3 Ų144.376%0.75978%0.784SS**  trans-147.565.1172.4-162.63.6000110.7K37N35-K37 VanDerWaalsContact C-N 3.3Å; N35-K37 PolarHBondContact O-N 3.12Å
36T32.6Very low30.5Very low130 Ų130145.7 Ų145.780%0.79879%0.787SS**  trans-72.884.4179.8-51.10000110.2I38T36-I38 PolarHBondContact O-N 3.06Å
37K29.4Very low30.7Very low162 Ų162146 Ų14670%0.70478%0.78SS**  trans-54.1132.4163.8-76.1-176.9172.9-177.40109.8N35N35-K37 VanDerWaalsContact C-N 3.3Å; N35-K37 PolarHBondContact O-N 3.12Å
38I28.6Very low30.8Very low162 Ų162146.2 Ų146.283%0.83178%0.781SS**  trans-103.1109.9149.7-63-179.9000106.1T36T36-I38 PolarHBondContact O-N 3.06Å
39T27.1Very low30.8Very low100 Ų100138.4 Ų138.461%0.61377%0.773SS**  trans-153114.1179.4-54.10000109.4
40T28.5Very low31.1Very low127 Ų127137.2 Ų137.278%0.77977%0.771SS**  trans62.1114.2164.3-51.70000118.4
41S31.6Very low31.2Very low122 Ų122138 Ų13885%0.85377%0.774SS**  trans-162.5107.9136.8-82.60000110.7
42N28.3Very low31.5Very low162 Ų162137.1 Ų137.187%0.86677%0.769SS**  trans-87.2126.2163.7-92.5-6.4000108.7
43N32.6Very low31.8Very low160 Ų160136.7 Ų136.786%0.85677%0.767SS**  trans-151.3150.1151.7-150.7-5.3000112.5
44I33.2Very low32.1Very low136 Ų136134.5 Ų134.570%0.69776%0.764SS**  trans-98.6133.7-164.2-64152.4000110.4
45N34.5Very low32.3Very low133 Ų133133.4 Ų133.471%0.71175%0.754SS**  179.5122.9120.1-107.9-39.6000116
46N32.3Very low32.7Very low125 Ų125133.9 Ų133.967%0.66876%0.756SS**  51.8129.6123.1-74.56.6000124.2
47N35.3Very low32.6Very low124 Ų124131.1 Ų131.166%0.66375%0.753SS**  trans109.597.4131.9-69.7-5.8000121.5
48N32Very low32.9Very low147 Ų147131.1 Ų131.179%0.78676%0.759SS**  81.6121.1116.9-58.2-11.9000122.2
49G32Very low33.1Very low76 Ų76129.3 Ų129.378%0.78476%0.756SS**  trans93.7148.614600000116.9
50S38.1Very low33.3Very low100 Ų100129.4 Ų129.470%0.69976%0.761SS**  cis-167126.3-11.150.90000112.6
51D32.7Very low33.7Very low151 Ų151128 Ų12881%0.80776%0.756SS**  trans67.9170.1139.1-67.9-68.1000123.5
52I36Very low33.7Very low152 Ų152127.8 Ų127.878%0.77976%0.755SS**  trans8871.2164.1-43.4-173.4000117.5
53T34.4Very low34Very low105 Ų105126.3 Ų126.364%0.64476%0.757SS**  30.3126.2105.7-38.50000118.4
54T37.4Very low33.8Very low135 Ų135124.8 Ų124.883%0.82876%0.759SS**  164.5165.4105.337.80000110.6
55H35.1Very low33.8Very low151 Ų151122 Ų12270%0.69976%0.763SS**  cis-166.6162.4-44.9-153.3-95.7000109.8
56N35.3Very low33.6Very low152 Ų152124.9 Ų124.981%0.81377%0.772SS**  trans71.8152.7177.1-45.5-34.4000115.3
57G31.2Very low33.3Very low71 Ų71123.7 Ų123.773%0.73277%0.773SS**  cis164.9160.4-0.300000107.8
58I35.1Very low33.3Very low162 Ų162123 Ų12383%0.83178%0.777SS**  cis-153.4166.225.7-80.2172.3000110.3
59T31.6Very low33.1Very low125 Ų125122.3 Ų122.377%0.76777%0.774SS**  trans-46.5168.5172.755.70000117.1
60S32.7Very low33.1Very low102 Ų102125.9 Ų125.971%0.71377%0.774SS**  cis-160.5-163.6-5.445.40000107.7
61S35.6Very low33Very low97 Ų97127.6 Ų127.668%0.67878%0.776SS**  cis-158.6136.813.5-22.30000109.4
62S32Very low32.9Very low118 Ų118127.8 Ų127.883%0.82578%0.777SS**  78.392.284-52.30000117.6
63S34.1Very low32.6Very low131 Ų131129 Ų12992%0.91678%0.784SS**  -163.7154.9126.659.40000110.3
64S29.9Very low32.7Very low128 Ų128131.2 Ų131.290%0.89579%0.792SS**  trans-141.4151.7-170.553.50000112.3
65G31.7Very low32.3Very low76 Ų76131.4 Ų131.478%0.78479%0.793SS**  trans-143.418.1-161.300000118.5
66H31.6Very low32.1Very low195 Ų195128.5 Ų128.590%0.90380%0.795SS**  trans65.8169.9172.4-116.170.1000118.2
67C26.5Very low31.7Very low100 Ų100130.5 Ų130.568%0.67680%0.799SS**  trans-151.8161.4-16150.40000112.6
68S33.8Very low31.6Very low108 Ų108131.6 Ų131.676%0.75580%0.801SS**  trans-167.5105.6151.2-960000111
69D29.2Very low31.4Very low134 Ų134132.8 Ų132.872%0.71780%0.803SS**  trans28.2131137.1-38.6-44.2000121.1
70N31.9Very low31.4Very low150 Ų150134.3 Ų134.380%0.80281%0.805SS**  -179164108.8-96.1-67.3000113.2
71N35Very low31.3Very low136 Ų136137.5 Ų137.573%0.72781%0.814SS**  trans74.8101.6167.6-61.96000120.3
72D30.7Very low31.1Very low155 Ų155140.7 Ų140.783%0.82982%0.822SS**  48.187123.2-55.5-37.2000120.4N74D72-N74 PolarHBondContact O-N 2.88Å
73L30.8Very low31.1Very low179 Ų179141.7 Ų141.794%0.93782%0.818SS**  trans-73.394.4157.8-80.9161000111
74N35.5Very low31.3Very low150 Ų150142 Ų14280%0.80281%0.81SS**  trans-82.1135.7166.2-17438.9000111.2D72 A76D72-N74 PolarHBondContact O-N 2.88Å; N74-A76 PolarHBondContact O-N 3.14Å
75V29.5Very low31.6Very low139 Ų139140.2 Ų140.284%0.84280%0.796SS**  trans-85.2110.4-171.1178.30000111.3
76A30.1Very low32Very low90 Ų90142.1 Ų142.174%0.74479%0.788SS**  trans-153.215.7176.900000116.8N74N74-A76 PolarHBondContact O-N 3.14Å
77E27.9Very low32.2Very low195 Ų195138.2 Ų138.291%0.91177%0.774SS**  trans-104.595.8176.9-74.5-158.510800113
78A28Very low32.6Very low93 Ų93137 Ų13777%0.76977%0.771SS**SBendtrans-161.727168.800000115.1
79H31.5Very low32.6Very low187 Ų187138.4 Ų138.487%0.86677%0.768SS**  trans-154.745.7-177.1-125.6-72.5000116.7
80L31.3Very low33Very low157 Ų157136.9 Ų136.982%0.82276%0.759SS**  trans-132.783.4175.8-76.8174000112
81L30.4Very low32.9Very low169 Ų169134.7 Ų134.789%0.88576%0.756SS**SBendtrans-176.565.6168.1-110.4161.1000112.2
82L31.3Very low32.8Very low165 Ų165132.6 Ų132.686%0.86475%0.751SS**SBendtrans-165.311.7166.7-111.8159.3000117.8
83D33.1Very low32.8Very low138 Ų138129.8 Ų129.874%0.73874%0.743SS**SBendtrans-106.92.1-167.8-66.6-76.5000117.1
84N37.5Very low32.8Very low137 Ų137128.3 Ų128.373%0.73374%0.736SS**SBendtrans-113.410.4-165.2-76.8-3.5000116.8
85C35.6Very low32.6Very low92 Ų92126.2 Ų126.262%0.62273%0.733SS**SBendtrans-106.3-26.8-167.9-64.20000116.8
86D40Very low32.5Very low115 Ų115124.8 Ų124.862%0.61573%0.729SS**Hα-helixtrans-75-41.5-158.4-75.3-23.9000115.5A88D86-A88 VanDerWaalsContact C-N 3.28Å; D86-A88 PolarHBondContact O-N 2.74Å
87D36.5Very low32.5Very low113 Ų113127.8 Ų127.860%0.60473%0.732SS**Hα-helixtrans-76.6-15.3-177.5-68.9-49.6000112.7R237D87-R237 IonicContact OD1-CZ 3.44Å; D87-R237 IonicContact OD1-NH1 2.77Å; D87-R237 IonicContact OD1-NH2 2.76Å; D87-R237 PolarHBondContact OD1-NH2 3.05Å
88A35.9Very low32.5Very low74 Ų74125.6 Ų125.661%0.61273%0.725SS**Hα-helixtrans-75.9-39.8176.600000113D86 L90D86-A88 VanDerWaalsContact C-N 3.28Å; D86-A88 PolarHBondContact O-N 2.74Å; A88-L90 PolarHBondContact O-N 3.18Å
89M32.6Very low32.7Very low138 Ų138129 Ų12968%0.6873%0.727SS**Hα-helixtrans-69.5-33.4179.9-68.9-14774.800112.7S91 S92M89-S91 PolarHBondContact O-N 2.75Å; M89-S92 PolarHBondContact O-N 2.84Å
90L37.3Very low32.6Very low103 Ų103127.3 Ų127.354%0.53972%0.724SS.*Hα-helixtrans-64.9-22.8-178.2-73.2168.9000113.8A88 S92A88-L90 PolarHBondContact O-N 3.18Å; L90-S92 VanDerWaalsContact C-N 3.32Å
91S31.5Very low32.5Very low104 Ų104129 Ų12973%0.72773%0.728SS**THydrogen-bonded Turntrans-77.3-15.3174.6-167.60000113.8M89M89-S91 PolarHBondContact O-N 2.75Å
92S31.2Very low32.6Very low91 Ų91129.8 Ų129.864%0.63673%0.727SS**THydrogen-bonded Turntrans-95.1-10.5-174.5-160.40000113.8M89 L90M89-S92 PolarHBondContact O-N 2.84Å; L90-S92 VanDerWaalsContact C-N 3.32Å
93C30.6Very low32.5Very low97 Ų97130.5 Ų130.566%0.65573%0.726SS**  trans-101.73.5-169.2-62.50000115.5S95C93-S95 PolarHBondContact O-N 3.28Å; C93-S95 VanDerWaalsContact O-N 3.12Å
94N30.8Very low32.6Very low147 Ų147131 Ų13179%0.78673%0.734SS**  trans-84.132.1179.9-73.8-47.4000113.9S96N94-S96 PolarHBondContact O-N 3.43Å
95S32.6Very low32.1Very low107 Ų107131.9 Ų131.975%0.74874%0.738SS**  trans-94.887.1-176.5-68.40000112.3C93C93-S95 PolarHBondContact O-N 3.28Å; C93-S95 VanDerWaalsContact O-N 3.12Å
96S27.8Very low32.1Very low108 Ų108133.1 Ų133.176%0.75575%0.749SS**  trans52.2103.1152.5-175.80000119N94N94-S96 PolarHBondContact O-N 3.43Å
97L29Very low31.6Very low154 Ų154131.5 Ų131.581%0.80676%0.758SS**  trans-145.783.9148.9-120.7163.7000110.5M99L97-M99 HydrophobicContact CD2-CE 4.06Å
98I27.2Very low31.6Very low149 Ų149131.9 Ų131.976%0.76477%0.77SS**  trans-98.5120.2165-59.4170.9000106.6
99M32.2Very low31.3Very low163 Ų163135.7 Ų135.780%0.80378%0.78SS**  trans-143.6131.1157.7-74.7-162.2-72.800108.3L97L97-M99 HydrophobicContact CD2-CE 4.06Å
100D30.7Very low31.4Very low152 Ų152134.7 Ų134.781%0.81379%0.787SS**  trans-70.2157.9-170.5-62.3-101.1000114.3
101E28.1Very low31.3Very low194 Ų194135.1 Ų135.191%0.90780%0.796SS**  trans-70.3137.5169.3-64.3178.199.100111
102H33.1Very low31Very low185 Ų185138.5 Ų138.586%0.85680%0.802SS**  trans-147.5123.3153.2-145.3-69.5000111.1
103E28.7Very low31.1Very low180 Ų180140.4 Ų140.484%0.84181%0.81SS**  trans-66.3146.3173.9-67.2-172.591.500111.5
104T35.3Very low30.9Very low149 Ų149143.2 Ų143.291%0.91482%0.819SS**  trans-158.9148.6134.110000111.9
105N28.4Very low30.7Very low154 Ų154142 Ų14282%0.82482%0.816SS**  trans-104.8121-171.1169.116.1000111.9
106S35.3Very low30.4Very low119 Ų119141.9 Ų141.983%0.83282%0.816SS**  trans-176.9152.8140.639.60000109.7
107G29.5Very low30.4Very low80 Ų80144 Ų14483%0.82582%0.817SS**  trans-134.4157.9-17000000114.9
108S35.3Very low30.3Very low121 Ų121142.3 Ų142.385%0.84681%0.813SS**  trans-152.6141.216761.30000112.2
109N31.1Very low30.5Very low154 Ų154143.6 Ų143.682%0.82482%0.818SS**  trans-47.7163.3-173-56.1-34.2000119
110S33.6Very low30.5Very low118 Ų118144.5 Ų144.583%0.82582%0.82SS**  trans91.6152.6146.9-66.90000119
111P35Very low30.6Very low111 Ų111143.3 Ų143.372%0.72182%0.819SS**  trans-127.8177.7-140.944.3-30.9000116
112M26.4Very low31.1Very low175 Ų175141.7 Ų141.786%0.86282%0.816SS**  trans58.488.8163.8-63.2-17374.100117.1
113T31.8Very low31.2Very low131 Ų131141.5 Ų141.580%0.80482%0.816SS**  trans-122.4139.6150.349.30000109.8
114N27.4Very low31.5Very low156 Ų156140.5 Ų140.583%0.83482%0.816SS**  trans-80.2123.1178.9-58.7-49.4000109.3
115V26.4Very low31.4Very low121 Ų121138.8 Ų138.873%0.73381%0.805SS**  trans-102.7102.6172.4179.70000109.1I117V115-I117 PolarHBondContact O-N 3.28Å
116S25.3Very low31.5Very low106 Ų106138.8 Ų138.874%0.74180%0.802SS**  trans-71.5118.1168.3-54.70000109.2T118S116-T118 PolarHBondContact O-N 3Å
117I28.3Very low31.3Very low153 Ų153138.6 Ų138.679%0.78580%0.796SS**  trans-86.299173.5-59.6178.4000108.5V115V115-I117 PolarHBondContact O-N 3.28Å
118T26.8Very low31.3Very low118 Ų118141.7 Ų141.772%0.72479%0.794SS**PPolyproline II helixtrans-70.9137.6166.2-45.10000109S116S116-T118 PolarHBondContact O-N 3Å
119M31.5Very low31Very low176 Ų176141 Ų14187%0.86778%0.784SS**PPolyproline II helixtrans-88.9125166.8-71.8-170.1175.800109.7
120E32.9Very low31.1Very low181 Ų181140 Ų14085%0.84678%0.779SS**PPolyproline II helixtrans-85.2129175.2-63.8-178.7133.400110.4
121T32.2Very low31.1Very low127 Ų127139.8 Ų139.878%0.77977%0.769SS**  trans-105.8112.6172.251.60000109.3
122N39.4Very low30.8Very low161 Ų161140.5 Ų140.586%0.86177%0.767SS**  trans-73.7138.9-179.1-78.4-8.8000112.7
123E34Very low31.3Very low180 Ų180136.8 Ų136.884%0.84176%0.758SS**  trans-93.1155.4-173.4-54.9-176.9123.600113.7
124N35.2Very low31.2Very low159 Ų159137 Ų13785%0.8575%0.754SS**  trans176.1141.4148.7-90.8-19.1000107.4
125V34.8Very low31.5Very low113 Ų113135.7 Ų135.769%0.68575%0.746SS**  cis-154.4141.14118.40000110.5
126M29.8Very low31.8Very low154 Ų154135.4 Ų135.476%0.75974%0.74SS**  trans52126.7156.9-82.955.8-174.700124.3
127T30.6Very low32.3Very low115 Ų115136.2 Ų136.271%0.70674%0.741SS**  trans91.7115.7130.451.10000123.3
128N28.9Very low32.6Very low145 Ų145136.9 Ų136.978%0.77574%0.738SS**  trans85.6141136.8-63.2-4.4000120.8
129T30.8Very low33.1Very low106 Ų106138.8 Ų138.865%0.6574%0.744SS**  cis-179144.6-31.4-106.30000108.9
130N31.7Very low33.2Very low133 Ų133137.5 Ų137.571%0.71174%0.74SS**  trans65.7150.4167.5-75.318.2000117.8
131D33.3Very low33.4Very low115 Ų115133.9 Ų133.962%0.61574%0.735SS**  cis-161.6168.7-11.5-125.1-28.2000113.6
132N30.5Very low33.5Very low125 Ų125132.8 Ų132.867%0.66873%0.728SS**  trans51.7105.3153.4-71.2-54.3000119.5
133S35.7Very low33.4Very low97 Ų97133.2 Ų133.268%0.67873%0.725SS**  76.9139.281830000114.3
134N29.9Very low33.5Very low135 Ų135128.6 Ų128.672%0.72271%0.712SS**  -174.9138.772-16228.8000114.8
135I33.9Very low33.3Very low130 Ų130128 Ų12867%0.66771%0.708SS**  trans47.7101.7146.9-71.8170.8000121.7
136N33.2Very low33.4Very low114 Ų114131.9 Ų131.961%0.6172%0.721SS**  46.2134.6104.117263000121.4
137T34.4Very low33.4Very low123 Ų123133.4 Ų133.476%0.75573%0.726SS**  -174.2142.4117.1-74.50000115.7
138K36Very low33.5Very low168 Ų168134.9 Ų134.973%0.7374%0.735SS**  trans-73.5150.6-172.7-42.5141.5179.2176.30116.8
139N35.8Very low33.8Very low158 Ų158133.4 Ų133.485%0.84574%0.736SS**  trans173.4135.7131.246.511.1000111.1
140N35.2Very low34.4Very low149 Ų149134 Ų13480%0.79774%0.742SS**  cis99.4119.73.5-160.746.9000117.7
141S36.9Very low35.7Very low104 Ų104133.4 Ų133.473%0.72775%0.745SS**  trans135.4154.7165.7-65.80000112.6
142T34.6Very low36.5Very low105 Ų105133.6 Ų133.664%0.64475%0.752SS**  -171170.6-54.818.80000110.2
143H36.9Very low37.1Very low169 Ų169133.4 Ų133.478%0.78276%0.758SS**  trans75.7149.9166.6-59.1-64.8000118.6
144S34.7Very low38Very low83 Ų83135.2 Ų135.258%0.5877%0.767SS**  cis-162.2137.8-15.8-104.80000113.2
145I31.3Very low38.3Very low148 Ų148134.2 Ų134.276%0.75977%0.771SS**  trans38.6113.4133-40167.9000119.4
146M36.4Very low38.7Very low194 Ų194133.6 Ų133.696%0.95678%0.778SS**  -176.6159.8109.9-97.9-161.5173.600113.2
147Q30Very low39.1Very low186 Ų186133.4 Ų133.487%0.86979%0.786SS**  trans-135130.1-170.4177.1-1757.600110.6
148T34.4Very low39.3Very low146 Ų146133.5 Ų133.590%0.89679%0.789SS**  trans-140.6159.7170.149.80000111.1
149S34.7Very low39.4Very low113 Ų113131.7 Ų131.779%0.7980%0.797SS**PPolyproline II helixtrans-103.1161.6-162.538.80000114.9
150P43.8Very low39.2Very low119 Ų119129.7 Ų129.777%0.77380%0.795SS**PPolyproline II helixtrans-89.1156.7-171.635.4-36.9000114.9
151P58.2Low39.3Very low120 Ų120127.9 Ų127.978%0.77980%0.795SS**PPolyproline II helixtrans-92.2156.4173.536.4-34.3000114
152P50.1Low39.1Very low119 Ų119130.2 Ų130.277%0.77380%0.798SS**PPolyproline II helixtrans-93.3166.1-178.337.5-36.6000114.7
153P42.9Very low39.2Very low122 Ų122133 Ų13379%0.79281%0.807SS**PPolyproline II helixtrans-85.7150179.834.3-35.6000114.2
154P55Low38.8Very low134 Ų134132.2 Ų132.287%0.8780%0.804SS**PPolyproline II helixtrans-89.4155.4175.935.5-34.7000113.7
155S36.5Very low38.9Very low115 Ų115136.2 Ų136.280%0.80481%0.813SS**  trans-123144.5-175.557.50000113.8
156S42Very low39Very low116 Ų116138.5 Ų138.581%0.81182%0.821SS**  trans165.2158.9161.537.50000109.7
157S41.3Very low38.7Very low110 Ų110136.5 Ų136.577%0.76981%0.809SS**  cis-161156.9-24-90.60000107.8
158P38.5Very low38.9Very low125 Ų125134.8 Ų134.881%0.81280%0.804SS**  trans-84.8157.3-169.333.7-36.4000114.6
159S37.3Very low38.9Very low131 Ų131132.9 Ų132.992%0.91680%0.797SS**  trans-146.9143.5163.7-80.40000110.3
160S32.5Very low38.8Very low115 Ų115133.5 Ų133.580%0.80479%0.791SS**  trans-124.8129.2-170.254.20000111.9
161S38Very low38.3Very low112 Ų112137.2 Ų137.278%0.78380%0.795SS**  trans-161.9117.5161.3-16.20000112.7
162I32Very low37Very low153 Ų153140.6 Ų140.679%0.78580%0.798SS**  trans41.3108.9130.8-47.3171.8000118.4
163L36.7Very low36Very low163 Ų163142.2 Ų142.285%0.85380%0.8SS**  -159.2150.7127.5-135.772.4000110.2
164E29.1Very low35.4Very low153 Ų153146.5 Ų146.572%0.71581%0.806SS**  trans-72.1137.5-174.5-58.896106.700114.6
165H36.1Very low34.3Very low166 Ų166149.1 Ų149.177%0.76981%0.807SS**  trans-153.4113137.7-115.766.2000111.7Q167H165-Q167 VanDerWaalsContact C-N 3.3Å; H165-Q167 HydrophobicContact CB-CG 4.47Å; H165-Q167 PolarHBondContact O-N 3.29Å
166H32.8Very low34Very low197 Ų197148.8 Ų148.891%0.91280%0.804SS**  trans-75.681.1168-100.487.7000109.5I168H166-I168 PolarHBondContact O-N 3.21Å
167Q30.4Very low33.5Very low152 Ų152147.9 Ų147.971%0.7180%0.798SS**  trans-82.5109.8172-76.8-164.77300111.1H165 S169H165-Q167 VanDerWaalsContact C-N 3.3Å; H165-Q167 HydrophobicContact CB-CG 4.47Å; H165-Q167 PolarHBondContact O-N 3.29Å; Q167-S169 PolarHBondContact O-N 2.81Å
168I34.3Very low33.1Very low149 Ų149149.6 Ų149.676%0.76480%0.799SS**  trans-54.8125.7162.4-63160.4000107.6H166 N170H166-I168 PolarHBondContact O-N 3.21Å; I168-N170 PolarHBondContact O-N 3.35Å
169S35.2Very low33Very low107 Ų107153 Ų15375%0.74880%0.801SS**  trans-68.7106.6-176.636.90000111.1Q167 F171Q167-S169 PolarHBondContact O-N 2.81Å; S169-F171 PolarHBondContact O-N 3.37Å
170N32.3Very low32.6Very low126 Ų126157.4 Ų157.467%0.67480%0.798SS**  trans-60.7102.2-172.7-80.2-33.7000113.4I168I168-N170 PolarHBondContact O-N 3.35Å
171F32.9Very low32.7Very low196 Ų196161.9 Ų161.986%0.8680%0.797SS**  trans-61.6140.4140.1-81.2-105.5000108.4S169S169-F171 PolarHBondContact O-N 3.37Å
172K30.4Very low32.9Very low192 Ų192160.6 Ų160.684%0.83578%0.782SS**  trans79.988.4-172.3-50.2171.2-178177.20115.2
173N29.5Very low33.9Very low153 Ų153158.9 Ų158.982%0.81878%0.778SS**  trans-160.496.6137.7-113.4-17.5000109.4
174K31.1Very low35.3Very low211 Ų211158.2 Ų158.292%0.91777%0.769SS**  trans-15447.5177.4-160.6-174.6177.2-176.30110.9
175E30.8Very low37.8Very low190 Ų190152.6 Ų152.689%0.88874%0.743SS**  trans-146.345.6-172.2-160.1167.8-17300111.3
176S30.6Very low40.2Very low107 Ų107145.7 Ų145.775%0.74871%0.713SS**  trans-158.453.6-17764.50000112.2
177S32.3Very low43.1Very low98 Ų98139.6 Ų139.669%0.68568%0.684SS**SBendtrans-141.969.9172.667.60000110.9
178D33.4Very low46.1Very low146 Ų146132.4 Ų132.478%0.78165%0.65SS**  trans44.9122.5157.7-57-51000121.5R180D178-R180 PolarHBondContact O-N 3.33Å
179F35.4Very low48.9Very low196 Ų196128.3 Ų128.386%0.8663%0.627SS**  trans-66.924.1165.4-108.9-100.9000114.3W181F179-W181 PolarHBondContact O-N 3.33Å
180R29.3Very low51.7Low224 Ų224123.2 Ų123.285%0.84559%0.592SS**  trans-74.298.3173.7-165179.386.9166.55.8108.5D178 N182D178-R180 PolarHBondContact O-N 3.33Å; R180-N182 PolarHBondContact O-N 3.37Å
181W35Very low54.6Low208 Ų208117.4 Ų117.479%0.78856%0.561SS**  trans-40.8107.5-178.7-66.998.6000111.5F179 T183F179-W181 PolarHBondContact O-N 3.33Å; W181-T183 PolarHBondContact O-N 2.9Å
182N41.4Very low57.5Low86 Ų86110.4 Ų110.446%0.4653%0.531SS..  trans-79.695.3179.6-177.70.4000108.3R180 K184 N185R180-N182 PolarHBondContact O-N 3.37Å; N182-K184 PolarHBondContact O-N 3.26Å; N182-K184 WeakPolarHBondContact OD1-CB 3.38Å; N182-K184 PolarHBondContact OD1-N 3.17Å; N182-N185 HydrophobicContact CB-CB 4.43Å; N182-N185 PolarHBondContact ND2-OD1 2.81Å; N182-N185 PolarHBondContact O-N 2.9Å
183T54.1Low60.5Low117 Ų117101.2 Ų101.272%0.71849%0.491SS*.THydrogen-bonded Turntrans-49.7-15.1179.3-36.50000114.2W181W181-T183 PolarHBondContact O-N 2.9Å
184K66.1Low63.4Low149 Ų14994.2 Ų94.265%0.64845%0.454SS*.THydrogen-bonded Turntrans-91.6-26.9179.9-51.9-177.3-178.6-175.80113.3N182 H236 R237N182-K184 PolarHBondContact O-N 3.26Å; N182-K184 WeakPolarHBondContact OD1-CB 3.38Å; N182-K184 PolarHBondContact OD1-N 3.17Å; K184-H236 CarbonylContact O-C 3.3Å; K184-H236 VanDerWaalsContact O-C 3.3Å; K184-H236 WeakPolarHBondContact O-CA 3.12Å; K184-R237 PolarHBondContact O-N 3.35Å
185N79.8Confident66.3Low34 Ų3492 Ų9218%0.18244%0.44CS..  trans-81.9150.4179.9-7628.2000110.6N182 T233 F234 C235N182-N185 HydrophobicContact CB-CB 4.43Å; N182-N185 PolarHBondContact ND2-OD1 2.81Å; N182-N185 PolarHBondContact O-N 2.9Å; N185-T233 HydrophobicContact CB-CG2 4.47Å; N185-F234 VanDerWaalsContact CA-O 3.26Å; N185-F234 WeakPolarHBondContact CA-O 3.45Å; N185-F234 WeakPolarHBondContact CB-O 3.45Å; N185-C235 WeakPolarHBondContact OD1-CA 3.29Å; N185-C235 PolarHBondContact OD1-O 2.95Å; N185-C235 VanDerWaalsContact OD1-O 3.12Å
186T88.3Confident69.1Low22 Ų2288 Ų8814%0.13543%0.433CS..EExtended strand (participates in β ladder)trans-141.4128.4177.1-64.50000110.3L188 F234 R237 A240 T264T186-L188 HydrophobicContact CG2-CD2 4.28Å; T186-F234 PolarHBondContact N-O 3.11Å; T186-F234 VanDerWaalsContact N-O 3.12Å; T186-F234 PolarHBondContact O-N 3.45Å; T186-R237 WeakPolarHBondContact OG1-CA 3.41Å; T186-A240 HydrophobicContact CG2-CB 3.53Å; T186-T264 HydrophobicContact CG2-CG2 4.27Å
187K91.8Very high72Confident69 Ų6984.3 Ų84.330%0.340%0.404SS..EExtended strand (participates in β ladder)trans-97.8127-179.7-168167-172.6159.60110.1F231 V232 T233 A265K187-F231 VanDerWaalsContact CE-CB 3.43Å; K187-F231 HydrophobicContact CG-CB 4.42Å; K187-F231 HydrophobicContact CG-CD1 4.39Å; K187-V232 CarbonylContact C-O 3.46Å; K187-V232 WeakPolarHBondContact CA-O 3.26Å; K187-T233 HydrophobicContact CB-CG2 4.43Å; K187-A265 HydrophobicContact CB-CB 4.07Å; K187-A265 HydrophobicContact CD-CB 4.39Å; K187-A265 HydrophobicContact CG-CB 3.82Å; K187-A265 WeakPolarHBondContact O-CB 3.46Å; K187-A265 PolarHBondContact O-N 2.74Å
188L93.4Very high74.8Confident0 Ų085.1 Ų85.10%040%0.397CS..EExtended strand (participates in β ladder)trans-106.8139.5174.2-55.7-178.2000109.6T186 F231 V232 F234 A240 C243 V262 K263 T264T186-L188 HydrophobicContact CG2-CD2 4.28Å; L188-F231 CarbonylContact O-C 3.6Å; L188-F231 VanDerWaalsContact O-CA 3.24Å; L188-F231 WeakPolarHBondContact O-CA 3.27Å; L188-V232 PolarHBondContact N-O 2.97Å; L188-V232 PolarHBondContact O-N 3.39Å; L188-F234 HydrophobicContact CD1-CD2 4.14Å; L188-F234 HydrophobicContact CD1-CE2 3.82Å; L188-A240 HydrophobicContact CD1-CB 4.12Å; L188-A240 WeakPolarHBondContact CD1-O 3.48Å; L188-A240 HydrophobicContact CD2-CB 4.09Å; L188-A240 HydrophobicContact CG-CB 4.13Å; L188-C243 HydrophobicContact CD1-CB 4.07Å; L188-V262 HydrophobicContact CB-CG1 4.13Å; L188-V262 HydrophobicContact CD1-CG1 3.59Å; L188-V262 HydrophobicContact CG-CG1 4.29Å; L188-K263 CarbonylContact C-O 3.52Å; L188-K263 WeakPolarHBondContact CA-O 3.15Å; L188-T264 HydrophobicContact CD2-CG2 3.93Å
189F93.8Very high77.5Confident64 Ų6480.2 Ų80.228%0.28137%0.37SS..EExtended strand (participates in β ladder)trans-87.8135.5158.5174-97.1000108.4L218 C229 F231 V262 K263 A265F189-L218 HydrophobicContact CE2-CD2 4.46Å; F189-C229 HydrophobicContact CE1-CB 4.47Å; F189-C229 HydrophobicContact CE2-CB 3.58Å; F189-C229 HydrophobicContact CZ-CB 3.52Å; F189-F231 HydrophobicContact CB-CD1 4.07Å; F189-F231 HydrophobicContact CB-CE1 3.9Å; F189-F231 HydrophobicContact CD2-CD1 4.22Å; F189-F231 AromaticContact CD2-CE1 3.78Å; F189-F231 HydrophobicContact CD2-CE1 3.78Å; F189-F231 HydrophobicContact CD2-CZ 4.19Å; F189-F231 HydrophobicContact CG-CE1 4.33Å; F189-V262 CarbonylContact O-C 3.48Å; F189-V262 WeakPolarHBondContact O-CA 3.35Å; F189-K263 PolarHBondContact N-O 3.47Å; F189-K263 PolarHBondContact O-N 3.33Å; F189-A265 HydrophobicContact CB-CB 4.45Å
190V93.5Very high80.3Confident0 Ų076.9 Ų76.90%036%0.361CS..EExtended strand (participates in β ladder)trans-127.1117.3175.1-171.60000110I193 F206 C229 A230 V232 L260 Q261 V262V190-I193 HydrophobicContact CB-CD1 4.03Å; V190-I193 HydrophobicContact CG1-CD1 3.93Å; V190-I193 HydrophobicContact CG1-CG1 4.24Å; V190-F206 HydrophobicContact CB-CZ 4.2Å; V190-F206 HydrophobicContact CG1-CE1 4.42Å; V190-F206 HydrophobicContact CG1-CZ 3.93Å; V190-F206 HydrophobicContact CG2-CE1 4.15Å; V190-F206 HydrophobicContact CG2-CZ 3.89Å; V190-C229 CarbonylContact O-C 3.57Å; V190-C229 WeakPolarHBondContact O-CA 3.36Å; V190-C229 WeakPolarHBondContact O-CB 3.43Å; V190-A230 PolarHBondContact N-O 2.87Å; V190-A230 PolarHBondContact O-N 3.44Å; V190-V232 HydrophobicContact CG2-CG2 4.08Å; V190-L260 HydrophobicContact CG1-CD2 3.84Å; V190-Q261 WeakPolarHBondContact CA-O 3.48Å; V190-V262 HydrophobicContact CG1-CG2 3.92Å; V190-V262 HydrophobicContact CG2-CB 4.48Å; V190-V262 HydrophobicContact CG2-CG1 4.23Å; V190-V262 HydrophobicContact CG2-CG2 4.03Å
191G93.7Very high83.3Confident4 Ų469.8 Ų69.84%0.04134%0.34CS..EExtended strand (participates in β ladder)trans-103.6169.4172.700000113.9Q261G191-Q261 PolarHBondContact N-O 2.89Å; G191-Q261 PolarHBondContact O-N 2.88Å
192Q93.7Very high86Confident48 Ų4859.9 Ų59.922%0.22430%0.302CS..  trans67.842.3-173.4-45.7-58.2-52.700113.5G228 M256 R258 P259 Q261Q192-G228 PolarHBondContact N-O 3.42Å; Q192-M256 WeakPolarHBondContact O-CG 3.43Å; Q192-R258 HydrophobicContact CG-CB 4.17Å; Q192-P259 WeakPolarHBondContact CG-O 3.3Å; Q192-Q261 HydrophobicContact CG-CG 4.04Å
193I93Very high88.5Confident0 Ų060.9 Ų60.90%030%0.299CS..  trans-96.3130.8174.7-67.5168.7000110.6V190 M197 L202 H226 G228 A230 L253 L260V190-I193 HydrophobicContact CB-CD1 4.03Å; V190-I193 HydrophobicContact CG1-CD1 3.93Å; V190-I193 HydrophobicContact CG1-CG1 4.24Å; I193-M197 HydrophobicContact CG2-CB 4.3Å; I193-L202 HydrophobicContact CD1-CD1 4Å; I193-L202 HydrophobicContact CD1-CD2 3.88Å; I193-L202 HydrophobicContact CG1-CD2 4.14Å; I193-L202 HydrophobicContact CG2-CD1 4.16Å; I193-L202 HydrophobicContact CG2-CD2 3.85Å; I193-L202 HydrophobicContact CG2-CG 4.47Å; I193-H226 VanDerWaalsContact CG2-CE1 3.43Å; I193-H226 WeakPolarHBondContact CG2-CE1 3.28Å; I193-H226 WeakPolarHBondContact CG2-NE2 3.44Å; I193-H226 PolarHBondContact O-CE1 2.9Å; I193-G228 PolarHBondContact N-O 2.79Å; I193-G228 WeakPolarHBondContact O-CA 3.46Å; I193-A230 HydrophobicContact CD1-CB 3.72Å; I193-L253 HydrophobicContact CG1-CD1 4.19Å; I193-L260 HydrophobicContact CG1-CD2 3.97Å
194P92Very high90.3Very high6 Ų660.6 Ų60.64%0.03930%0.297CS..  trans-55.1137.1176.1-24.833.2000113.3S196 M197 L253 P254 M256P194-S196 PolarHBondContact O-N 3.29Å; P194-S196 VanDerWaalsContact O-N 3.13Å; P194-M197 HydrophobicContact CB-CB 4.28Å; P194-M197 WeakPolarHBondContact O-CB 3.49Å; P194-M197 PolarHBondContact O-N 3.13Å; P194-M197 VanDerWaalsContact O-N 3.08Å; P194-L253 HydrophobicContact CG-CB 3.8Å; P194-L253 HydrophobicContact CG-CD1 4.44Å; P194-P254 WeakPolarHBondContact CG-O 3.48Å; P194-M256 HydrophobicContact CG-CG 3.94Å
195R91.1Very high91.6Very high165 Ų16555.6 Ų55.662%0.62328%0.277SS*.THydrogen-bonded Turntrans-66-14.5179.7-66.4-169.3177.5160.91.1114.8H226R195-H226 HydrophobicContact CB-CB 4.12Å; R195-H226 HydrophobicContact CG-CB 4.22Å; R195-H226 WeakPolarHBondContact CG-O 3.16Å; R195-H226 PolarHBondContact NE-O 3.08Å
196S90.5Very high92.2Very high104 Ų10454 Ų5473%0.72727%0.268SS*.THydrogen-bonded Turntrans-84.8-16.6175.950.60000113.6P194P194-S196 PolarHBondContact O-N 3.29Å; P194-S196 VanDerWaalsContact O-N 3.13Å
197M90Very high92.5Very high31 Ų3156.6 Ų56.615%0.15328%0.279CS..  trans-87.3137.4-173.5-166.1170.3-87.100110.5I193 P194 D201 L202 I205 L253I193-M197 HydrophobicContact CG2-CB 4.3Å; P194-M197 HydrophobicContact CB-CB 4.28Å; P194-M197 WeakPolarHBondContact O-CB 3.49Å; P194-M197 PolarHBondContact O-N 3.13Å; P194-M197 VanDerWaalsContact O-N 3.08Å; M197-D201 HydrophobicContact CE-CB 4.48Å; M197-D201 HydrophobicContact CG-CB 3.47Å; M197-D201 VanDerWaalsContact CG-CB 3.47Å; M197-D201 HydrophobicContact SD-CB 4.23Å; M197-L202 HydrophobicContact CG-CD2 4.11Å; M197-L202 HydrophobicContact CG-CG 4.1Å; M197-L202 HydrophobicContact SD-CD2 3.52Å; M197-L202 VanDerWaalsContact SD-CD2 3.52Å; M197-L202 HydrophobicContact SD-CG 4.14Å; M197-I205 HydrophobicContact CE-CD1 4.13Å; M197-I205 HydrophobicContact SD-CD1 4.06Å; M197-L253 HydrophobicContact CE-CD1 4.42Å; M197-L253 HydrophobicContact SD-CD1 3.78Å
198Q90.9Very high92.5Very high114 Ų11461 Ų6153%0.53330%0.301SS..  trans-110.6173.7-176.5-59.5-166.117.200112.3N200 D201 L202Q198-N200 PolarHBondContact O-N 3.3Å; Q198-D201 PolarHBondContact N-OD2 2.84Å; Q198-D201 PolarHBondContact O-N 2.82Å; Q198-D201 VanDerWaalsContact O-N 3.15Å; Q198-L202 WeakPolarHBondContact O-CG 3.29Å; Q198-L202 PolarHBondContact O-N 2.9Å; Q198-L202 VanDerWaalsContact O-N 3.13Å
199E91.8Very high92.5Very high44 Ų4463 Ų6321%0.20631%0.309CS..Hα-helixtrans-54.2-38.5-179-69.378.9179.300111.7R203 L215 I217 R219E199-R203 VanDerWaalsContact O-CB 3.25Å; E199-R203 WeakPolarHBondContact O-CB 3.34Å; E199-R203 PolarHBondContact O-N 2.79Å; E199-L215 HydrophobicContact CB-CD2 3.93Å; E199-L215 HydrophobicContact CG-CD2 3.9Å; E199-I217 HydrophobicContact CG-CD1 3.97Å; E199-I217 HydrophobicContact CG-CG1 4Å; E199-I217 WeakPolarHBondContact OE1-CB 3.24Å; E199-R219 IonicContact OE1-CZ 3.5Å; E199-R219 IonicContact OE1-NE 3.45Å; E199-R219 PolarHBondContact OE1-NE 2.99Å; E199-R219 IonicContact OE1-NH2 2.69Å; E199-R219 PolarHBondContact OE1-NH2 3.33Å; E199-R219 IonicContact OE2-NH2 2.73Å; E199-R219 PolarHBondContact OE2-NH2 2.98Å
200N92.7Very high92.4Very high126 Ų12660.6 Ų60.667%0.67430%0.303SS*.Hα-helixtrans-63-47.2177.6-70.748.8000112.9Q198 R203 V204Q198-N200 PolarHBondContact O-N 3.3Å; N200-R203 WeakPolarHBondContact O-CB 3.22Å; N200-R203 PolarHBondContact O-N 2.75Å; N200-V204 PolarHBondContact O-N 3.2Å
201D92.5Very high92.4Very high75 Ų7563.5 Ų63.540%0.40132%0.322SS..Hα-helixtrans-64.9-44.6-178.4-49.7-49.1000110.6M197 Q198 R203 V204 I205M197-D201 HydrophobicContact CE-CB 4.48Å; M197-D201 HydrophobicContact CG-CB 3.47Å; M197-D201 VanDerWaalsContact CG-CB 3.47Å; M197-D201 HydrophobicContact SD-CB 4.23Å; Q198-D201 PolarHBondContact N-OD2 2.84Å; Q198-D201 PolarHBondContact O-N 2.82Å; Q198-D201 VanDerWaalsContact O-N 3.15Å; D201-R203 VanDerWaalsContact C-N 3.32Å; D201-R203 PolarHBondContact O-N 3.03Å; D201-V204 PolarHBondContact O-N 3.09Å; D201-I205 WeakPolarHBondContact O-CG1 3.37Å; D201-I205 PolarHBondContact O-N 3.45Å
202L92.4Very high92.3Very high0 Ų064.1 Ų64.10%032%0.324CS..Hα-helixtrans-62.9-38.9175.6-68.4175.9000111.7I193 M197 Q198 V204 I205 F206 L215 I217 A230 L253I193-L202 HydrophobicContact CD1-CD1 4Å; I193-L202 HydrophobicContact CD1-CD2 3.88Å; I193-L202 HydrophobicContact CG1-CD2 4.14Å; I193-L202 HydrophobicContact CG2-CD1 4.16Å; I193-L202 HydrophobicContact CG2-CD2 3.85Å; I193-L202 HydrophobicContact CG2-CG 4.47Å; M197-L202 HydrophobicContact CG-CD2 4.11Å; M197-L202 HydrophobicContact CG-CG 4.1Å; M197-L202 HydrophobicContact SD-CD2 3.52Å; M197-L202 VanDerWaalsContact SD-CD2 3.52Å; M197-L202 HydrophobicContact SD-CG 4.14Å; Q198-L202 WeakPolarHBondContact O-CG 3.29Å; Q198-L202 PolarHBondContact O-N 2.9Å; Q198-L202 VanDerWaalsContact O-N 3.13Å; L202-V204 VanDerWaalsContact C-N 3.34Å; L202-V204 PolarHBondContact O-N 2.92Å; L202-I205 PolarHBondContact O-N 2.7Å; L202-F206 HydrophobicContact CB-CD2 4.04Å; L202-F206 HydrophobicContact CB-CE2 3.85Å; L202-F206 HydrophobicContact CD2-CE2 3.87Å; L202-F206 HydrophobicContact CD2-CZ 4.38Å; L202-F206 HydrophobicContact CG-CE2 4.33Å; L202-F206 WeakPolarHBondContact O-CD2 3.33Å; L202-F206 PolarHBondContact O-N 2.64Å; L202-L215 HydrophobicContact CB-CD1 3.9Å; L202-L215 HydrophobicContact CB-CD2 4.26Å; L202-L215 HydrophobicContact CD1-CD2 4.21Å; L202-I217 HydrophobicContact CD1-CD1 3.77Å; L202-I217 HydrophobicContact CD1-CG1 3.8Å; L202-A230 HydrophobicContact CD1-CB 4.04Å; L202-L253 HydrophobicContact CD2-CD1 4.4Å
203R93.7Very high92.2Very high107 Ų10769.2 Ų69.240%0.40434%0.342SS..Hα-helixtrans-59.3-45.5179.7-165.9175.2-176-69.1-17.6110.8E199 N200 D201 I205 F206 E207 I212 L215E199-R203 VanDerWaalsContact O-CB 3.25Å; E199-R203 WeakPolarHBondContact O-CB 3.34Å; E199-R203 PolarHBondContact O-N 2.79Å; N200-R203 WeakPolarHBondContact O-CB 3.22Å; N200-R203 PolarHBondContact O-N 2.75Å; D201-R203 VanDerWaalsContact C-N 3.32Å; D201-R203 PolarHBondContact O-N 3.03Å; R203-I205 VanDerWaalsContact C-N 3.33Å; R203-I205 PolarHBondContact O-N 2.78Å; R203-F206 PolarHBondContact O-N 3.44Å; R203-E207 IonicContact CZ-OE1 3.82Å; R203-E207 IonicContact CZ-OE2 3.52Å; R203-E207 IonicContact NH1-OE1 3.65Å; R203-E207 PolarHBondContact NH1-OE1 3.12Å; R203-E207 IonicContact NH1-OE2 2.96Å; R203-E207 PolarHBondContact NH1-OE2 3.33Å; R203-E207 IonicContact NH2-OE1 2.68Å; R203-E207 PolarHBondContact NH2-OE1 2.96Å; R203-E207 IonicContact NH2-OE2 3.85Å; R203-E207 WeakPolarHBondContact O-CB 3.34Å; R203-E207 PolarHBondContact O-N 2.98Å; R203-I212 HydrophobicContact CG-CD1 3.91Å; R203-L215 HydrophobicContact CB-CD1 4.26Å
204V92.8Very high92.2Very high110 Ų11072.4 Ų72.467%0.66736%0.359SS*.Hα-helixtrans-58.6-43.7176.3177.40000111.6N200 D201 L202N200-V204 PolarHBondContact O-N 3.2Å; D201-V204 PolarHBondContact O-N 3.09Å; L202-V204 VanDerWaalsContact C-N 3.34Å; L202-V204 PolarHBondContact O-N 2.92Å
205I91.7Very high92.3Very high44 Ų4473.2 Ų73.223%0.22636%0.363CS..Hα-helixtrans-68.8-38.1-178.6-62.8164.1000112M197 D201 L202 R203 F209 L253M197-I205 HydrophobicContact CE-CD1 4.13Å; M197-I205 HydrophobicContact SD-CD1 4.06Å; D201-I205 WeakPolarHBondContact O-CG1 3.37Å; D201-I205 PolarHBondContact O-N 3.45Å; L202-I205 PolarHBondContact O-N 2.7Å; R203-I205 VanDerWaalsContact C-N 3.33Å; R203-I205 PolarHBondContact O-N 2.78Å; I205-F209 WeakPolarHBondContact O-CE2 3.49Å; I205-L253 HydrophobicContact CD1-CD2 3.91Å
206F93.2Very high92.3Very high1 Ų169.9 Ų69.90%0.00436%0.357CS..Hα-helixtrans-86.9-24.5-177.6-64.5-55.3000113.6V190 L202 R203 E208 F209 I212 L215 V232 F234 L247V190-F206 HydrophobicContact CB-CZ 4.2Å; V190-F206 HydrophobicContact CG1-CE1 4.42Å; V190-F206 HydrophobicContact CG1-CZ 3.93Å; V190-F206 HydrophobicContact CG2-CE1 4.15Å; V190-F206 HydrophobicContact CG2-CZ 3.89Å; L202-F206 HydrophobicContact CB-CD2 4.04Å; L202-F206 HydrophobicContact CB-CE2 3.85Å; L202-F206 HydrophobicContact CD2-CE2 3.87Å; L202-F206 HydrophobicContact CD2-CZ 4.38Å; L202-F206 HydrophobicContact CG-CE2 4.33Å; L202-F206 WeakPolarHBondContact O-CD2 3.33Å; L202-F206 PolarHBondContact O-N 2.64Å; R203-F206 PolarHBondContact O-N 3.44Å; F206-E208 VanDerWaalsContact C-N 3.26Å; F206-E208 PolarHBondContact O-N 3.19Å; F206-F209 PolarHBondContact O-N 2.85Å; F206-I212 HydrophobicContact CB-CD1 3.68Å; F206-I212 HydrophobicContact CB-CG1 4.46Å; F206-L215 HydrophobicContact CD2-CD1 3.94Å; F206-V232 HydrophobicContact CB-CG1 4.18Å; F206-V232 HydrophobicContact CD2-CG1 4.29Å; F206-V232 HydrophobicContact CD2-CG2 3.52Å; F206-V232 HydrophobicContact CE2-CG2 3.53Å; F206-V232 HydrophobicContact CG-CG1 4.28Å; F206-V232 HydrophobicContact CG-CG2 4.08Å; F206-V232 HydrophobicContact CZ-CG2 4.11Å; F206-F234 HydrophobicContact CB-CZ 4.12Å; F206-F234 WeakPolarHBondContact O-CE1 3.33Å; F206-F234 WeakPolarHBondContact O-CZ 3.41Å; F206-L247 HydrophobicContact CD1-CD1 3.63Å; F206-L247 HydrophobicContact CE1-CD1 3.48Å; F206-L247 VanDerWaalsContact CE1-CD1 3.48Å
207E93.6Very high92.5Very high77 Ų7765.2 Ų65.236%0.3632%0.324SS..Hα-helixtrans-72.2-20.5-176.5-172.1160.4-130.600112.6R203 F209 G210 I212R203-E207 IonicContact CZ-OE1 3.82Å; R203-E207 IonicContact CZ-OE2 3.52Å; R203-E207 IonicContact NH1-OE1 3.65Å; R203-E207 PolarHBondContact NH1-OE1 3.12Å; R203-E207 IonicContact NH1-OE2 2.96Å; R203-E207 PolarHBondContact NH1-OE2 3.33Å; R203-E207 IonicContact NH2-OE1 2.68Å; R203-E207 PolarHBondContact NH2-OE1 2.96Å; R203-E207 IonicContact NH2-OE2 3.85Å; R203-E207 WeakPolarHBondContact O-CB 3.34Å; R203-E207 PolarHBondContact O-N 2.98Å; E207-F209 PolarHBondContact O-N 3.03Å; E207-G210 PolarHBondContact O-N 2.95Å; E207-I212 HydrophobicContact CB-CD1 3.95Å
208E93.1Very high92.6Very high162 Ų16265.9 Ų65.976%0.75733%0.328SS*.THydrogen-bonded Turntrans-55.2-33.1168.3-172.4176-178.700112.6F206 G210F206-E208 VanDerWaalsContact C-N 3.26Å; F206-E208 PolarHBondContact O-N 3.19Å; E208-G210 VanDerWaalsContact C-N 3.35Å
209F93.1Very high92.7Very high40 Ų4066.7 Ų66.718%0.17533%0.326CS..THydrogen-bonded Turntrans-84.9-9.5177.9-55.1-75.5000113.4I205 F206 E207 F234 S239 K242 C243 A246 L247I205-F209 WeakPolarHBondContact O-CE2 3.49Å; F206-F209 PolarHBondContact O-N 2.85Å; E207-F209 PolarHBondContact O-N 3.03Å; F209-F234 HydrophobicContact CB-CE1 4.32Å; F209-F234 HydrophobicContact CB-CZ 4.38Å; F209-S239 WeakPolarHBondContact O-CA 3.4Å; F209-S239 WeakPolarHBondContact O-CB 3.5Å; F209-S239 PolarHBondContact O-OG 3.09Å; F209-K242 HydrophobicContact CD1-CB 4.47Å; F209-C243 HydrophobicContact CB-CB 3.78Å; F209-C243 HydrophobicContact CD2-CB 4.11Å; F209-C243 HydrophobicContact CG-CB 3.85Å; F209-A246 HydrophobicContact CD1-CB 4.12Å; F209-A246 HydrophobicContact CE1-CB 3.3Å; F209-A246 HydrophobicContact CZ-CB 3.8Å; F209-L247 HydrophobicContact CD2-CD1 4.33Å; F209-L247 HydrophobicContact CE2-CD1 3.73Å; F209-L247 HydrophobicContact CE2-CD2 3.99Å; F209-L247 HydrophobicContact CE2-CG 3.87Å; F209-L247 HydrophobicContact CZ-CD1 4.32Å; F209-L247 HydrophobicContact CZ-CD2 3.86Å; F209-L247 HydrophobicContact CZ-CG 3.94Å
210G92.2Very high92.7Very high15 Ų1566.5 Ų66.516%0.15533%0.327CS..SBendtrans135.2-178.8173.700000114.5E207 E208 I212 F234E207-G210 PolarHBondContact O-N 2.95Å; E208-G210 VanDerWaalsContact C-N 3.35Å; G210-I212 PolarHBondContact O-N 3.15Å; G210-F234 WeakPolarHBondContact O-CE1 3.48Å
211P92.5Very high92.5Very high60 Ų6070.5 Ų70.539%0.3934%0.338SS..  trans-64.4123.2-170.224-33.8000113.1C235P211-C235 HydrophobicContact CB-CB 4.43Å; P211-C235 HydrophobicContact CG-CB 4.16Å; P211-C235 PolarHBondContact O-N 2.97Å
212I92.8Very high92.3Very high18 Ų1874.6 Ų74.69%0.09236%0.358CS..EExtended strand (participates in β ladder)trans-87.8125175.4-59.4165.5000109.2R203 F206 E207 G210 D214 L215 V232 F234R203-I212 HydrophobicContact CG-CD1 3.91Å; F206-I212 HydrophobicContact CB-CD1 3.68Å; F206-I212 HydrophobicContact CB-CG1 4.46Å; E207-I212 HydrophobicContact CB-CD1 3.95Å; G210-I212 PolarHBondContact O-N 3.15Å; I212-D214 WeakPolarHBondContact CG2-O 3.19Å; I212-L215 HydrophobicContact CD1-CD1 4.47Å; I212-L215 HydrophobicContact CG2-CB 4.2Å; I212-V232 HydrophobicContact CD1-CG1 4.43Å; I212-V232 HydrophobicContact CG1-CG1 4.24Å; I212-V232 HydrophobicContact CG2-CG1 4.17Å; I212-F234 HydrophobicContact CG1-CD1 4.3Å; I212-F234 HydrophobicContact CG1-CE1 3.97Å; I212-F234 HydrophobicContact CG1-CZ 4.48Å
213Y91.2Very high92.1Very high154 Ų15478.7 Ų78.760%0.60438%0.384SS*.EExtended strand (participates in β ladder)trans-79-43.3173.3-179.6-95.3000112T233Y213-T233 WeakPolarHBondContact CB-O 3.43Å; Y213-T233 HydrophobicContact CD1-CG2 4.18Å; Y213-T233 PolarHBondContact N-O 3.4Å
214D92.2Very high91.9Very high67 Ų6775.7 Ų75.736%0.35839%0.386SS..EExtended strand (participates in β ladder)trans-153.8147.9-177.3174.544.4000110.7I212 T233I212-D214 WeakPolarHBondContact CG2-O 3.19Å; D214-T233 PolarHBondContact N-O 2.63Å; D214-T233 PolarHBondContact O-N 3.21Å
215L93.4Very high91.6Very high24 Ų2475.1 Ų75.113%0.12638%0.377CS..EExtended strand (participates in β ladder)trans-143.2117.7176.2-169.3158.2000109.5E199 L202 R203 F206 I212 I217 F231 V232E199-L215 HydrophobicContact CB-CD2 3.93Å; E199-L215 HydrophobicContact CG-CD2 3.9Å; L202-L215 HydrophobicContact CB-CD1 3.9Å; L202-L215 HydrophobicContact CB-CD2 4.26Å; L202-L215 HydrophobicContact CD1-CD2 4.21Å; R203-L215 HydrophobicContact CB-CD1 4.26Å; F206-L215 HydrophobicContact CD2-CD1 3.94Å; I212-L215 HydrophobicContact CD1-CD1 4.47Å; I212-L215 HydrophobicContact CG2-CB 4.2Å; L215-I217 HydrophobicContact CD2-CG1 4.49Å; L215-F231 WeakPolarHBondContact CA-O 3.22Å; L215-V232 HydrophobicContact CD1-CG2 4.27Å; L215-V232 HydrophobicContact CG-CG2 4.26Å
216L93Very high91.6Very high94 Ų9473.8 Ų73.849%0.49237%0.37SS..EExtended strand (participates in β ladder)trans-129.1110.2-173.3-177.869.2000110.9A230 F231L216-A230 CarbonylContact O-C 3.54Å; L216-A230 WeakPolarHBondContact O-CA 3.43Å; L216-F231 PolarHBondContact N-O 3.31Å; L216-F231 PolarHBondContact O-N 3.37Å
217I93.7Very high91.5Very high7 Ų778.9 Ų78.94%0.03639%0.392CS..EExtended strand (participates in β ladder)trans-69.3135.8171.1-72.6178.7000110.3E199 L202 L215 R219 H226 A230E199-I217 HydrophobicContact CG-CD1 3.97Å; E199-I217 HydrophobicContact CG-CG1 4Å; E199-I217 WeakPolarHBondContact OE1-CB 3.24Å; L202-I217 HydrophobicContact CD1-CD1 3.77Å; L202-I217 HydrophobicContact CD1-CG1 3.8Å; L215-I217 HydrophobicContact CD2-CG1 4.49Å; I217-R219 HydrophobicContact CG2-CG 3.78Å; I217-R219 PolarHBondContact O-N 3.14Å; I217-H226 WeakPolarHBondContact CG2-CD2 3.48Å; I217-A230 HydrophobicContact CG1-CB 4.06Å
218L91.8Very high91.4Very high45 Ų4575.9 Ų75.924%0.23638%0.382CS..EExtended strand (participates in β ladder)trans-79107.3171.2-71.878.2000108.8F189 K227 C229 F231F189-L218 HydrophobicContact CE2-CD2 4.46Å; L218-K227 HydrophobicContact CB-CB 4.35Å; L218-K227 HydrophobicContact CB-CD 4.45Å; L218-K227 VanDerWaalsContact O-CB 3.27Å; L218-K227 WeakPolarHBondContact O-CB 3.1Å; L218-K227 WeakPolarHBondContact O-CG 3.3Å; L218-K227 PolarHBondContact O-N 3.35Å; L218-C229 PolarHBondContact N-O 2.78Å; L218-F231 HydrophobicContact CD1-CD2 3.53Å; L218-F231 HydrophobicContact CD1-CE2 3.7Å; L218-F231 HydrophobicContact CD1-CG 4.19Å; L218-F231 HydrophobicContact CD1-CZ 4.48Å; L218-F231 HydrophobicContact CD2-CE2 4.03Å; L218-F231 HydrophobicContact CG-CD2 4.3Å; L218-F231 HydrophobicContact CG-CE2 4.1Å
219R93.7Very high91.4Very high130 Ų13069 Ų6949%0.49135%0.351SS..EExtended strand (participates in β ladder)trans-100.2155.9174.2-56.5-173.9-172.1-145.33.1110.7E199 I217 M225 K227E199-R219 IonicContact OE1-CZ 3.5Å; E199-R219 IonicContact OE1-NE 3.45Å; E199-R219 PolarHBondContact OE1-NE 2.99Å; E199-R219 IonicContact OE1-NH2 2.69Å; E199-R219 PolarHBondContact OE1-NH2 3.33Å; E199-R219 IonicContact OE2-NH2 2.73Å; E199-R219 PolarHBondContact OE2-NH2 2.98Å; I217-R219 HydrophobicContact CG2-CG 3.78Å; I217-R219 PolarHBondContact O-N 3.14Å; R219-M225 CarbonylContact C-O 3.55Å; R219-M225 WeakPolarHBondContact CA-O 3.42Å; R219-K227 WeakPolarHBondContact O-CE 3.31Å
220D90.7Very high91.5Very high41 Ų4167 Ų6722%0.21934%0.343CS..  trans-81134174.6-177.563.5000112.2I222 T223 G224 M225 K227D220-I222 VanDerWaalsContact C-N 3.29Å; D220-I222 PolarHBondContact O-N 3.35Å; D220-I222 PolarHBondContact OD2-N 2.86Å; D220-T223 VanDerWaalsContact CB-OG1 3.32Å; D220-T223 WeakPolarHBondContact CB-OG1 3.44Å; D220-T223 PolarHBondContact OD2-N 3.32Å; D220-T223 PolarHBondContact OD2-OG1 3.22Å; D220-G224 WeakPolarHBondContact O-CA 3.07Å; D220-G224 PolarHBondContact O-N 2.82Å; D220-M225 PolarHBondContact N-O 3.39Å; D220-K227 HydrophobicContact CB-CG 4.4Å; D220-K227 IonicContact OD1-NZ 3.51Å; D220-K227 PolarHBondContact OD1-NZ 3.36Å
221K89.4Confident91.6Very high209 Ų20968.9 Ų68.991%0.90935%0.347SS*.THydrogen-bonded Turntrans-68.9-26.1-172.6-168.5-179.8178-174.20113.1
222I87.5Confident91.6Very high161 Ų16166 Ų6683%0.82633%0.328SS*.THydrogen-bonded Turntrans-91.9-50.9-177.6-57.6173.6000110.1D220D220-I222 VanDerWaalsContact C-N 3.29Å; D220-I222 PolarHBondContact O-N 3.35Å; D220-I222 PolarHBondContact OD2-N 2.86Å
223T89.8Confident91.7Very high87 Ų8765.8 Ų65.853%0.53433%0.328SS..THydrogen-bonded Turntrans-92.6-10.5-172.558.70000114.3D220 M225D220-T223 VanDerWaalsContact CB-OG1 3.32Å; D220-T223 WeakPolarHBondContact CB-OG1 3.44Å; D220-T223 PolarHBondContact OD2-N 3.32Å; D220-T223 PolarHBondContact OD2-OG1 3.22Å; T223-M225 PolarHBondContact O-N 3.39Å; T223-M225 PolarHBondContact OG1-N 3.02Å
224G87.6Confident91.8Very high44 Ų4458.5 Ų58.545%0.45430%0.299SS..  trans67.8-5-171.500000114.5D220D220-G224 WeakPolarHBondContact O-CA 3.07Å; D220-G224 PolarHBondContact O-N 2.82Å
225M87.2Confident91.7Very high97 Ų9756.8 Ų56.848%0.47829%0.292SS..  trans-72.9144.4-169.8-65.6-175.480.700112.7R219 D220 T223 K227R219-M225 CarbonylContact C-O 3.55Å; R219-M225 WeakPolarHBondContact CA-O 3.42Å; D220-M225 PolarHBondContact N-O 3.39Å; T223-M225 PolarHBondContact O-N 3.39Å; T223-M225 PolarHBondContact OG1-N 3.02Å; M225-K227 PolarHBondContact O-N 2.95Å
226H91.8Very high91.5Very high16 Ų1660.3 Ų60.37%0.07431%0.308CS..EExtended strand (participates in β ladder)trans-57.5120172.7-173.2-75.6000111.5I193 R195 I217 G228I193-H226 VanDerWaalsContact CG2-CE1 3.43Å; I193-H226 WeakPolarHBondContact CG2-CE1 3.28Å; I193-H226 WeakPolarHBondContact CG2-NE2 3.44Å; I193-H226 PolarHBondContact O-CE1 2.9Å; R195-H226 HydrophobicContact CB-CB 4.12Å; R195-H226 HydrophobicContact CG-CB 4.22Å; R195-H226 WeakPolarHBondContact CG-O 3.16Å; R195-H226 PolarHBondContact NE-O 3.08Å; I217-H226 WeakPolarHBondContact CG2-CD2 3.48Å; H226-G228 VanDerWaalsContact CE1-CA 3.5Å; H226-G228 WeakPolarHBondContact CE1-CA 3.47Å; H226-G228 PolarHBondContact CE1-N 3.08Å; H226-G228 WeakPolarHBondContact ND1-CA 3.49Å; H226-G228 PolarHBondContact ND1-N 2.77Å; H226-G228 PolarHBondContact O-N 3.45Å
227K91.6Very high91.4Very high108 Ų10861.2 Ų61.247%0.4731%0.305SS..EExtended strand (participates in β ladder)trans-72.8-11.8-177.1-70.4-169.4177.7-65.60114.4L218 R219 D220 M225L218-K227 HydrophobicContact CB-CB 4.35Å; L218-K227 HydrophobicContact CB-CD 4.45Å; L218-K227 VanDerWaalsContact O-CB 3.27Å; L218-K227 WeakPolarHBondContact O-CB 3.1Å; L218-K227 WeakPolarHBondContact O-CG 3.3Å; L218-K227 PolarHBondContact O-N 3.35Å; R219-K227 WeakPolarHBondContact O-CE 3.31Å; D220-K227 HydrophobicContact CB-CG 4.4Å; D220-K227 IonicContact OD1-NZ 3.51Å; D220-K227 PolarHBondContact OD1-NZ 3.36Å; M225-K227 PolarHBondContact O-N 2.95Å
228G91.9Very high91.4Very high15 Ų1566.9 Ų66.916%0.15533%0.331CS..EExtended strand (participates in β ladder)trans102.612.4-176.900000113.6Q192 I193 H226Q192-G228 PolarHBondContact N-O 3.42Å; I193-G228 PolarHBondContact N-O 2.79Å; I193-G228 WeakPolarHBondContact O-CA 3.46Å; H226-G228 VanDerWaalsContact CE1-CA 3.5Å; H226-G228 WeakPolarHBondContact CE1-CA 3.47Å; H226-G228 PolarHBondContact CE1-N 3.08Å; H226-G228 WeakPolarHBondContact ND1-CA 3.49Å; H226-G228 PolarHBondContact ND1-N 2.77Å; H226-G228 PolarHBondContact O-N 3.45Å
229C93Very high91.5Very high16 Ų1665.4 Ų65.411%0.10833%0.325CS..EExtended strand (participates in β ladder)trans-153.9158.5-175.351.60000112.9F189 V190 L218F189-C229 HydrophobicContact CE1-CB 4.47Å; F189-C229 HydrophobicContact CE2-CB 3.58Å; F189-C229 HydrophobicContact CZ-CB 3.52Å; V190-C229 CarbonylContact O-C 3.57Å; V190-C229 WeakPolarHBondContact O-CA 3.36Å; V190-C229 WeakPolarHBondContact O-CB 3.43Å; L218-C229 PolarHBondContact N-O 2.78Å
230A94Very high91.4Very high0 Ų059.3 Ų59.30%030%0.302CS..EExtended strand (participates in β ladder)trans-138.1163.5177.300000110.8V190 I193 L202 L216 I217V190-A230 PolarHBondContact N-O 2.87Å; V190-A230 PolarHBondContact O-N 3.44Å; I193-A230 HydrophobicContact CD1-CB 3.72Å; L202-A230 HydrophobicContact CD1-CB 4.04Å; L216-A230 CarbonylContact O-C 3.54Å; L216-A230 WeakPolarHBondContact O-CA 3.43Å; I217-A230 HydrophobicContact CG1-CB 4.06Å
231F94.3Very high91.5Very high53 Ų5360.3 Ų60.323%0.23231%0.307CS..EExtended strand (participates in β ladder)trans-104.8138.9159.9-68.3-68.9000110.1K187 L188 F189 L215 L216 L218 A265K187-F231 VanDerWaalsContact CE-CB 3.43Å; K187-F231 HydrophobicContact CG-CB 4.42Å; K187-F231 HydrophobicContact CG-CD1 4.39Å; L188-F231 CarbonylContact O-C 3.6Å; L188-F231 VanDerWaalsContact O-CA 3.24Å; L188-F231 WeakPolarHBondContact O-CA 3.27Å; F189-F231 HydrophobicContact CB-CD1 4.07Å; F189-F231 HydrophobicContact CB-CE1 3.9Å; F189-F231 HydrophobicContact CD2-CD1 4.22Å; F189-F231 AromaticContact CD2-CE1 3.78Å; F189-F231 HydrophobicContact CD2-CE1 3.78Å; F189-F231 HydrophobicContact CD2-CZ 4.19Å; F189-F231 HydrophobicContact CG-CE1 4.33Å; L215-F231 WeakPolarHBondContact CA-O 3.22Å; L216-F231 PolarHBondContact N-O 3.31Å; L216-F231 PolarHBondContact O-N 3.37Å; L218-F231 HydrophobicContact CD1-CD2 3.53Å; L218-F231 HydrophobicContact CD1-CE2 3.7Å; L218-F231 HydrophobicContact CD1-CG 4.19Å; L218-F231 HydrophobicContact CD1-CZ 4.48Å; L218-F231 HydrophobicContact CD2-CE2 4.03Å; L218-F231 HydrophobicContact CG-CD2 4.3Å; L218-F231 HydrophobicContact CG-CE2 4.1Å; F231-A265 HydrophobicContact CD1-CB 3.85Å; F231-A265 HydrophobicContact CE1-CB 3.75Å
232V94Very high91.7Very high0 Ų056.2 Ų56.20%029%0.289CS..EExtended strand (participates in β ladder)trans-124.9123.9175.1-171.90000107.9K187 L188 V190 F206 I212 L215 F234K187-V232 CarbonylContact C-O 3.46Å; K187-V232 WeakPolarHBondContact CA-O 3.26Å; L188-V232 PolarHBondContact N-O 2.97Å; L188-V232 PolarHBondContact O-N 3.39Å; V190-V232 HydrophobicContact CG2-CG2 4.08Å; F206-V232 HydrophobicContact CB-CG1 4.18Å; F206-V232 HydrophobicContact CD2-CG1 4.29Å; F206-V232 HydrophobicContact CD2-CG2 3.52Å; F206-V232 HydrophobicContact CE2-CG2 3.53Å; F206-V232 HydrophobicContact CG-CG1 4.28Å; F206-V232 HydrophobicContact CG-CG2 4.08Å; F206-V232 HydrophobicContact CZ-CG2 4.11Å; I212-V232 HydrophobicContact CD1-CG1 4.43Å; I212-V232 HydrophobicContact CG1-CG1 4.24Å; I212-V232 HydrophobicContact CG2-CG1 4.17Å; L215-V232 HydrophobicContact CD1-CG2 4.27Å; L215-V232 HydrophobicContact CG-CG2 4.26Å; V232-F234 HydrophobicContact CB-CE2 4.41Å; V232-F234 HydrophobicContact CG1-CD2 4.19Å; V232-F234 HydrophobicContact CG1-CE2 3.7Å; V232-F234 HydrophobicContact CG1-CZ 4.06Å
233T93Very high92.1Very high14 Ų1448.6 Ų48.69%0.08625%0.25CC..EExtended strand (participates in β ladder)trans-108.6115.2177.9-47.80000108.8N185 K187 Y213 D214N185-T233 HydrophobicContact CB-CG2 4.47Å; K187-T233 HydrophobicContact CB-CG2 4.43Å; Y213-T233 WeakPolarHBondContact CB-O 3.43Å; Y213-T233 HydrophobicContact CD1-CG2 4.18Å; Y213-T233 PolarHBondContact N-O 3.4Å; D214-T233 PolarHBondContact N-O 2.63Å; D214-T233 PolarHBondContact O-N 3.21Å
234F94Very high92.3Very high0 Ų046.7 Ų46.70%024%0.235CC..EExtended strand (participates in β ladder)trans-88.7149.7174.1-72.7-87.1000111.2N185 T186 L188 F206 F209 G210 I212 V232 H236 A240 C243N185-F234 VanDerWaalsContact CA-O 3.26Å; N185-F234 WeakPolarHBondContact CA-O 3.45Å; N185-F234 WeakPolarHBondContact CB-O 3.45Å; T186-F234 PolarHBondContact N-O 3.11Å; T186-F234 VanDerWaalsContact N-O 3.12Å; T186-F234 PolarHBondContact O-N 3.45Å; L188-F234 HydrophobicContact CD1-CD2 4.14Å; L188-F234 HydrophobicContact CD1-CE2 3.82Å; F206-F234 HydrophobicContact CB-CZ 4.12Å; F206-F234 WeakPolarHBondContact O-CE1 3.33Å; F206-F234 WeakPolarHBondContact O-CZ 3.41Å; F209-F234 HydrophobicContact CB-CE1 4.32Å; F209-F234 HydrophobicContact CB-CZ 4.38Å; G210-F234 WeakPolarHBondContact O-CE1 3.48Å; I212-F234 HydrophobicContact CG1-CD1 4.3Å; I212-F234 HydrophobicContact CG1-CE1 3.97Å; I212-F234 HydrophobicContact CG1-CZ 4.48Å; V232-F234 HydrophobicContact CB-CE2 4.41Å; V232-F234 HydrophobicContact CG1-CD2 4.19Å; V232-F234 HydrophobicContact CG1-CE2 3.7Å; V232-F234 HydrophobicContact CG1-CZ 4.06Å; F234-H236 PolarHBondContact O-N 3.24Å; F234-A240 HydrophobicContact CB-CB 4.19Å; F234-A240 HydrophobicContact CD2-CB 3.85Å; F234-A240 HydrophobicContact CG-CB 4.29Å; F234-C243 HydrophobicContact CE2-CB 3.76Å; F234-C243 HydrophobicContact CZ-CB 3.72Å
235C90.5Very high92.6Very high32 Ų3249.2 Ų49.222%0.21624%0.238CC..SBendtrans-67.6-14.6172.3-60.80000113.5N185 P211N185-C235 WeakPolarHBondContact OD1-CA 3.29Å; N185-C235 PolarHBondContact OD1-O 2.95Å; N185-C235 VanDerWaalsContact OD1-O 3.12Å; P211-C235 HydrophobicContact CB-CB 4.43Å; P211-C235 HydrophobicContact CG-CB 4.16Å; P211-C235 PolarHBondContact O-N 2.97Å
236H89.5Confident92.9Very high98 Ų9846.5 Ų46.545%0.45423%0.231SC..SBendtrans-139.5129-173-55.3-36.6000111.8K184 F234 Q238 S239 A240K184-H236 CarbonylContact O-C 3.3Å; K184-H236 VanDerWaalsContact O-C 3.3Å; K184-H236 WeakPolarHBondContact O-CA 3.12Å; F234-H236 PolarHBondContact O-N 3.24Å; H236-Q238 PolarHBondContact O-N 3.11Å; H236-S239 PolarHBondContact O-N 3.45Å; H236-S239 VanDerWaalsContact O-N 3.09Å; H236-A240 PolarHBondContact O-N 2.91Å
237R91.1Very high93Very high112 Ų11246.2 Ų46.242%0.42323%0.23SC..Hα-helixtrans-49-41171.2-174.3173.6173.9175.9-3.3111.6D87 K184 T186 S239 A240 L241D87-R237 IonicContact OD1-CZ 3.44Å; D87-R237 IonicContact OD1-NH1 2.77Å; D87-R237 IonicContact OD1-NH2 2.76Å; D87-R237 PolarHBondContact OD1-NH2 3.05Å; K184-R237 PolarHBondContact O-N 3.35Å; T186-R237 WeakPolarHBondContact OG1-CA 3.41Å; R237-S239 PolarHBondContact O-N 3.23Å; R237-A240 PolarHBondContact O-N 3.44Å; R237-L241 HydrophobicContact CG-CD1 4.3Å; R237-L241 WeakPolarHBondContact O-CG 3.34Å; R237-L241 PolarHBondContact O-N 3.5Å
238Q92.2Very high93.1Very high126 Ų12645.1 Ų45.159%0.58923%0.226SC*.Hα-helixtrans-66.1-36.4-179.9-159.364.41400114.1H236 K242H236-Q238 PolarHBondContact O-N 3.11Å; Q238-K242 WeakPolarHBondContact O-CG 3.38Å; Q238-K242 PolarHBondContact O-N 3.02Å
239S93.8Very high93.1Very high15 Ų1546.5 Ų46.511%0.10524%0.241CC..Hα-helixtrans-69.6-37.9174.2-72.80000111.7F209 H236 R237 K242 C243F209-S239 WeakPolarHBondContact O-CA 3.4Å; F209-S239 WeakPolarHBondContact O-CB 3.5Å; F209-S239 PolarHBondContact O-OG 3.09Å; H236-S239 PolarHBondContact O-N 3.45Å; H236-S239 VanDerWaalsContact O-N 3.09Å; R237-S239 PolarHBondContact O-N 3.23Å; S239-K242 PolarHBondContact O-N 3.45Å; S239-C243 VanDerWaalsContact O-CB 3.23Å; S239-C243 WeakPolarHBondContact O-CB 3.31Å; S239-C243 PolarHBondContact O-N 3.45Å
240A93Very high93Very high1 Ų152.8 Ų52.81%0.00827%0.266CS..Hα-helixtrans-65.1-40.3174.900000112.4T186 L188 F234 H236 R237 C243 Q244T186-A240 HydrophobicContact CG2-CB 3.53Å; L188-A240 HydrophobicContact CD1-CB 4.12Å; L188-A240 WeakPolarHBondContact CD1-O 3.48Å; L188-A240 HydrophobicContact CD2-CB 4.09Å; L188-A240 HydrophobicContact CG-CB 4.13Å; F234-A240 HydrophobicContact CB-CB 4.19Å; F234-A240 HydrophobicContact CD2-CB 3.85Å; F234-A240 HydrophobicContact CG-CB 4.29Å; H236-A240 PolarHBondContact O-N 2.91Å; R237-A240 PolarHBondContact O-N 3.44Å; A240-C243 PolarHBondContact O-N 3.23Å; A240-Q244 WeakPolarHBondContact O-CB 3.21Å; A240-Q244 PolarHBondContact O-N 2.64Å
241L92.4Very high92.8Very high62 Ų6257.3 Ų57.333%0.32529%0.287SS..Hα-helixtrans-63.2-52173.8-69.4172.9000111.2R237 C243 Q244 D245R237-L241 HydrophobicContact CG-CD1 4.3Å; R237-L241 WeakPolarHBondContact O-CG 3.34Å; R237-L241 PolarHBondContact O-N 3.5Å; L241-C243 VanDerWaalsContact C-N 3.29Å; L241-C243 PolarHBondContact O-N 3.4Å; L241-Q244 PolarHBondContact O-N 2.74Å; L241-D245 PolarHBondContact O-N 2.97Å
242K94.6Very high92.6Very high124 Ų12457.7 Ų57.754%0.53929%0.294SS..Hα-helixtrans-53.1-44.6175-75.6-178175.1-169.70112.8F209 Q238 S239 D245 A246F209-K242 HydrophobicContact CD1-CB 4.47Å; Q238-K242 WeakPolarHBondContact O-CG 3.38Å; Q238-K242 PolarHBondContact O-N 3.02Å; S239-K242 PolarHBondContact O-N 3.45Å; K242-D245 PolarHBondContact O-N 3.06Å; K242-A246 WeakPolarHBondContact O-CB 3Å; K242-A246 PolarHBondContact O-N 2.85Å
243C94.2Very high92.4Very high0 Ų058 Ų580%030%0.295CS..Hα-helixtrans-61.8-45.1176.2177.70000112.1L188 F209 F234 S239 A240 L241 L247L188-C243 HydrophobicContact CD1-CB 4.07Å; F209-C243 HydrophobicContact CB-CB 3.78Å; F209-C243 HydrophobicContact CD2-CB 4.11Å; F209-C243 HydrophobicContact CG-CB 3.85Å; F234-C243 HydrophobicContact CE2-CB 3.76Å; F234-C243 HydrophobicContact CZ-CB 3.72Å; S239-C243 VanDerWaalsContact O-CB 3.23Å; S239-C243 WeakPolarHBondContact O-CB 3.31Å; S239-C243 PolarHBondContact O-N 3.45Å; A240-C243 PolarHBondContact O-N 3.23Å; L241-C243 VanDerWaalsContact C-N 3.29Å; L241-C243 PolarHBondContact O-N 3.4Å; C243-L247 WeakPolarHBondContact O-CB 3.45Å; C243-L247 WeakPolarHBondContact O-CG 3.37Å; C243-L247 PolarHBondContact O-N 2.92Å
244Q93.8Very high92.2Very high47 Ų4762.3 Ų62.322%0.2232%0.324CS..Hα-helixtrans-62.7-50.1176.2-172.8176.3-67.600111.3A240 L241 A246 L247 H248 V262A240-Q244 WeakPolarHBondContact O-CB 3.21Å; A240-Q244 PolarHBondContact O-N 2.64Å; L241-Q244 PolarHBondContact O-N 2.74Å; Q244-A246 VanDerWaalsContact C-N 3.33Å; Q244-A246 PolarHBondContact O-N 2.77Å; Q244-L247 PolarHBondContact O-N 3.17Å; Q244-H248 HydrophobicContact CG-CB 4.38Å; Q244-H248 WeakPolarHBondContact O-CB 3.12Å; Q244-H248 PolarHBondContact O-N 2.77Å; Q244-V262 HydrophobicContact CB-CG1 3.96Å; Q244-V262 HydrophobicContact CG-CB 4.39Å; Q244-V262 HydrophobicContact CG-CG1 4.1Å
245D94.5Very high91.8Very high98 Ų9866.2 Ų66.252%0.52436%0.364SS..Hα-helixtrans-69.1-30-175.6-62.5-30.2000112.8L241 K242 K250L241-D245 PolarHBondContact O-N 2.97Å; K242-D245 PolarHBondContact O-N 3.06Å; D245-K250 WeakPolarHBondContact O-CE 3.34Å; D245-K250 PolarHBondContact O-NZ 3.11Å
246A94.7Very high91.7Very high40 Ų4067.4 Ų67.433%0.33137%0.367SS..Hα-helixtrans-79.8-40.2176.900000113.3F209 K242 Q244 K250F209-A246 HydrophobicContact CD1-CB 4.12Å; F209-A246 HydrophobicContact CE1-CB 3.3Å; F209-A246 HydrophobicContact CZ-CB 3.8Å; K242-A246 WeakPolarHBondContact O-CB 3Å; K242-A246 PolarHBondContact O-N 2.85Å; Q244-A246 VanDerWaalsContact C-N 3.33Å; Q244-A246 PolarHBondContact O-N 2.77Å; A246-K250 WeakPolarHBondContact O-CB 3.09Å; A246-K250 VanDerWaalsContact O-CD 3.31Å; A246-K250 WeakPolarHBondContact O-CD 3.43Å
247L93.6Very high91.7Very high9 Ų967.7 Ų67.75%0.04739%0.387CS..Hα-helixtrans-100.4-31.1-170.6-59.6-179.8000114.2F206 F209 C243 Q244 G249 K250 Q251 L260 V262F206-L247 HydrophobicContact CD1-CD1 3.63Å; F206-L247 HydrophobicContact CE1-CD1 3.48Å; F206-L247 VanDerWaalsContact CE1-CD1 3.48Å; F209-L247 HydrophobicContact CD2-CD1 4.33Å; F209-L247 HydrophobicContact CE2-CD1 3.73Å; F209-L247 HydrophobicContact CE2-CD2 3.99Å; F209-L247 HydrophobicContact CE2-CG 3.87Å; F209-L247 HydrophobicContact CZ-CD1 4.32Å; F209-L247 HydrophobicContact CZ-CD2 3.86Å; F209-L247 HydrophobicContact CZ-CG 3.94Å; C243-L247 WeakPolarHBondContact O-CB 3.45Å; C243-L247 WeakPolarHBondContact O-CG 3.37Å; C243-L247 PolarHBondContact O-N 2.92Å; Q244-L247 PolarHBondContact O-N 3.17Å; L247-G249 PolarHBondContact O-N 2.69Å; L247-G249 VanDerWaalsContact O-N 3.17Å; L247-K250 PolarHBondContact O-N 3.45Å; L247-Q251 HydrophobicContact CD2-CB 3.62Å; L247-Q251 HydrophobicContact CD2-CG 3.93Å; L247-Q251 PolarHBondContact O-N 2.82Å; L247-L260 HydrophobicContact CB-CD1 4.28Å; L247-L260 HydrophobicContact CD1-CD1 4.31Å; L247-V262 HydrophobicContact CB-CG2 3.84Å
248H93.4Very high91.8Very high85 Ų8569.1 Ų69.139%0.39439%0.392SS..THydrogen-bonded Turntrans-60.4118.7-175.6-176.997.3000111.8Q244 K250 V262Q244-H248 HydrophobicContact CG-CB 4.38Å; Q244-H248 WeakPolarHBondContact O-CB 3.12Å; Q244-H248 PolarHBondContact O-N 2.77Å; H248-K250 PolarHBondContact O-N 2.69Å; H248-V262 HydrophobicContact CB-CB 4.32Å; H248-V262 PolarHBondContact ND1-O 3.26Å
249G92.1Very high91.9Very high44 Ų4465.1 Ų65.145%0.45438%0.377SS..THydrogen-bonded Turntrans68.9-3.7177.300000115.1L247 P259 L260L247-G249 PolarHBondContact O-N 2.69Å; L247-G249 VanDerWaalsContact O-N 3.17Å; G249-P259 VanDerWaalsContact C-CB 3.45Å; G249-P259 WeakPolarHBondContact O-CB 3.43Å; G249-P259 WeakPolarHBondContact O-CG 3.08Å; G249-L260 PolarHBondContact N-O 3.02Å
250K91.1Very high91.9Very high148 Ų14864.4 Ų64.464%0.64337%0.372SS*.THydrogen-bonded Turntrans-104.8-61.1-174.9-68.8169.6179177.10111.5D245 A246 L247 H248D245-K250 WeakPolarHBondContact O-CE 3.34Å; D245-K250 PolarHBondContact O-NZ 3.11Å; A246-K250 WeakPolarHBondContact O-CB 3.09Å; A246-K250 VanDerWaalsContact O-CD 3.31Å; A246-K250 WeakPolarHBondContact O-CD 3.43Å; L247-K250 PolarHBondContact O-N 3.45Å; H248-K250 PolarHBondContact O-N 2.69Å
251Q88.1Confident91.9Very high96 Ų9667.4 Ų67.445%0.44939%0.386SS..  trans-83127.7-173.5-175.164.9-6.400111.2L247 P259 L260L247-Q251 HydrophobicContact CD2-CB 3.62Å; L247-Q251 HydrophobicContact CD2-CG 3.93Å; L247-Q251 PolarHBondContact O-N 2.82Å; Q251-P259 CarbonylContact O-C 3.54Å; Q251-P259 WeakPolarHBondContact O-CA 3.42Å; Q251-L260 HydrophobicContact CB-CD1 4.3Å; Q251-L260 HydrophobicContact CG-CD1 4.3Å; Q251-L260 WeakPolarHBondContact O-CB 3.44Å; Q251-L260 WeakPolarHBondContact O-CG 3.35Å; Q251-L260 PolarHBondContact O-N 2.73Å
252T90.6Very high91.9Very high60 Ų6064.4 Ų64.437%0.36837%0.37SS..  trans-109.9124.9172.9-590000109.5M256 P259T252-M256 HydrophobicContact CG2-CB 4.43Å; T252-M256 WeakPolarHBondContact CG2-O 3.4Å; T252-P259 VanDerWaalsContact OG1-CA 3.29Å; T252-P259 WeakPolarHBondContact OG1-CA 3.27Å
253L90.2Very high91.8Very high6 Ų664.4 Ų64.43%0.03137%0.37CS..  trans-77.8147.8179.2-66.4-179.3000111.8I193 P194 M197 L202 I205 G255 M256 L260I193-L253 HydrophobicContact CG1-CD1 4.19Å; P194-L253 HydrophobicContact CG-CB 3.8Å; P194-L253 HydrophobicContact CG-CD1 4.44Å; M197-L253 HydrophobicContact CE-CD1 4.42Å; M197-L253 HydrophobicContact SD-CD1 3.78Å; L202-L253 HydrophobicContact CD2-CD1 4.4Å; I205-L253 HydrophobicContact CD1-CD2 3.91Å; L253-G255 PolarHBondContact O-N 2.63Å; L253-M256 PolarHBondContact O-N 3.21Å; L253-L260 HydrophobicContact CD1-CD1 4.35Å; L253-L260 HydrophobicContact CD1-CD2 3.72Å; L253-L260 HydrophobicContact CD1-CG 4.39Å; L253-L260 HydrophobicContact CD2-CD1 4.3Å; L253-L260 HydrophobicContact CG-CD1 4.08Å; L253-L260 HydrophobicContact CG-CD2 3.95Å; L253-L260 HydrophobicContact CG-CG 4.11Å
254P88.7Confident91.5Very high106 Ų10666 Ų6669%0.68838%0.38SS*.THydrogen-bonded Turntrans-53.4128.6177.5-27.335.5000112.6P194P194-P254 WeakPolarHBondContact CG-O 3.48Å
255G86.5Confident91.1Very high82 Ų8265 Ų6585%0.84538%0.38SS*.THydrogen-bonded Turntrans85.24.5-177.100000115.5L253L253-G255 PolarHBondContact O-N 2.63Å
256M88.5Confident89.9Confident56 Ų5662.3 Ų62.328%0.27637%0.366SS..  trans-108.3142.4168.7-79.2-74.6151.800111.7Q192 P194 T252 L253Q192-M256 WeakPolarHBondContact O-CG 3.43Å; P194-M256 HydrophobicContact CG-CG 3.94Å; T252-M256 HydrophobicContact CG2-CB 4.43Å; T252-M256 WeakPolarHBondContact CG2-O 3.4Å; L253-M256 PolarHBondContact O-N 3.21Å
257A88.8Confident88.4Confident105 Ų10565.6 Ų65.687%0.86838%0.375SS*.SBendtrans-94.16.4179.700000113.4
258R92.8Very high87.1Confident141 Ų14171.7 Ų71.753%0.53240%0.403SS..SBendtrans-144.5146-177.1-61.6-175.972.1-1673.5109.9Q192Q192-R258 HydrophobicContact CG-CB 4.17Å
259P93.6Very high85.6Confident42 Ų4276 Ų7627%0.27342%0.416SS..  trans-67.5158.6177.528.5-35.8000112.7Q192 G249 Q251 T252Q192-P259 WeakPolarHBondContact CG-O 3.3Å; G249-P259 VanDerWaalsContact C-CB 3.45Å; G249-P259 WeakPolarHBondContact O-CB 3.43Å; G249-P259 WeakPolarHBondContact O-CG 3.08Å; Q251-P259 CarbonylContact O-C 3.54Å; Q251-P259 WeakPolarHBondContact O-CA 3.42Å; T252-P259 VanDerWaalsContact OG1-CA 3.29Å; T252-P259 WeakPolarHBondContact OG1-CA 3.27Å
260L94.2Very high84.4Confident0 Ų079.6 Ų79.60%042%0.416CS..  trans-55136.5177.8-74.8176.9000111.9V190 I193 L247 G249 Q251 L253 V262V190-L260 HydrophobicContact CG1-CD2 3.84Å; I193-L260 HydrophobicContact CG1-CD2 3.97Å; L247-L260 HydrophobicContact CB-CD1 4.28Å; L247-L260 HydrophobicContact CD1-CD1 4.31Å; G249-L260 PolarHBondContact N-O 3.02Å; Q251-L260 HydrophobicContact CB-CD1 4.3Å; Q251-L260 HydrophobicContact CG-CD1 4.3Å; Q251-L260 WeakPolarHBondContact O-CB 3.44Å; Q251-L260 WeakPolarHBondContact O-CG 3.35Å; Q251-L260 PolarHBondContact O-N 2.73Å; L253-L260 HydrophobicContact CD1-CD1 4.35Å; L253-L260 HydrophobicContact CD1-CD2 3.72Å; L253-L260 HydrophobicContact CD1-CG 4.39Å; L253-L260 HydrophobicContact CD2-CD1 4.3Å; L253-L260 HydrophobicContact CG-CD1 4.08Å; L253-L260 HydrophobicContact CG-CD2 3.95Å; L253-L260 HydrophobicContact CG-CG 4.11Å; L260-V262 HydrophobicContact CB-CG2 4.45Å
261Q93.2Very high83.2Confident64 Ų6474.4 Ų74.430%0.29940%0.397SS..EExtended strand (participates in β ladder)trans-109.779.7178.6-69.1175.119.300109.2V190 G191 Q192V190-Q261 WeakPolarHBondContact CA-O 3.48Å; G191-Q261 PolarHBondContact N-O 2.89Å; G191-Q261 PolarHBondContact O-N 2.88Å; Q192-Q261 HydrophobicContact CG-CG 4.04Å
262V93.7Very high82.4Confident0 Ų073.2 Ų73.20%039%0.391CS..EExtended strand (participates in β ladder)trans-82.5126.4175.5-173.90000109.8L188 F189 V190 Q244 L247 H248 L260L188-V262 HydrophobicContact CB-CG1 4.13Å; L188-V262 HydrophobicContact CD1-CG1 3.59Å; L188-V262 HydrophobicContact CG-CG1 4.29Å; F189-V262 CarbonylContact O-C 3.48Å; F189-V262 WeakPolarHBondContact O-CA 3.35Å; V190-V262 HydrophobicContact CG1-CG2 3.92Å; V190-V262 HydrophobicContact CG2-CB 4.48Å; V190-V262 HydrophobicContact CG2-CG1 4.23Å; V190-V262 HydrophobicContact CG2-CG2 4.03Å; Q244-V262 HydrophobicContact CB-CG1 3.96Å; Q244-V262 HydrophobicContact CG-CB 4.39Å; Q244-V262 HydrophobicContact CG-CG1 4.1Å; L247-V262 HydrophobicContact CB-CG2 3.84Å; H248-V262 HydrophobicContact CB-CB 4.32Å; H248-V262 PolarHBondContact ND1-O 3.26Å; L260-V262 HydrophobicContact CB-CG2 4.45Å
263K90.9Very high81.9Confident124 Ų12474.2 Ų74.254%0.53939%0.392SS..EExtended strand (participates in β ladder)trans-140.3155.4172.9-70.6-171.8173.9-171.60109.4L188 F189 A265L188-K263 CarbonylContact C-O 3.52Å; L188-K263 WeakPolarHBondContact CA-O 3.15Å; F189-K263 PolarHBondContact N-O 3.47Å; F189-K263 PolarHBondContact O-N 3.33Å; K263-A265 PolarHBondContact O-N 3Å
264T89.3Confident81.9Confident34 Ų3476.7 Ų76.721%0.20940%0.401CS..EExtended strand (participates in β ladder)trans-60.3128.6164.946.70000110.5T186 L188 D266 M267T186-T264 HydrophobicContact CG2-CG2 4.27Å; L188-T264 HydrophobicContact CD2-CG2 3.93Å; T264-D266 VanDerWaalsContact C-N 3.25Å; T264-D266 PolarHBondContact O-N 3.14Å; T264-M267 WeakPolarHBondContact O-CB 3.28Å; T264-M267 PolarHBondContact O-N 2.97Å
265A84.1Confident82.1Confident25 Ų2574 Ų7421%0.20738%0.378CS..THydrogen-bonded Turntrans-68.8-25-172.900000113.1K187 F189 F231 K263 M267K187-A265 HydrophobicContact CB-CB 4.07Å; K187-A265 HydrophobicContact CD-CB 4.39Å; K187-A265 HydrophobicContact CG-CB 3.82Å; K187-A265 WeakPolarHBondContact O-CB 3.46Å; K187-A265 PolarHBondContact O-N 2.74Å; F189-A265 HydrophobicContact CB-CB 4.45Å; F231-A265 HydrophobicContact CD1-CB 3.85Å; F231-A265 HydrophobicContact CE1-CB 3.75Å; K263-A265 PolarHBondContact O-N 3Å; A265-M267 PolarHBondContact O-N 3.13Å
266D69.5Low82.5Confident42 Ų4270.1 Ų70.123%0.22534%0.338CS..THydrogen-bonded Turntrans-74.3-13.6-177.4-51.9-32.7000113.3T264 E268 R269 R270T264-D266 VanDerWaalsContact C-N 3.25Å; T264-D266 PolarHBondContact O-N 3.14Å; D266-E268 VanDerWaalsContact C-N 3.28Å; D266-E268 PolarHBondContact O-N 3.41Å; D266-R269 PolarHBondContact O-N 3.29Å; D266-R270 HydrophobicContact CB-CG 4.33Å; D266-R270 VanDerWaalsContact CB-NH1 3.33Å; D266-R270 VanDerWaalsContact CG-NH2 3.35Å; D266-R270 WeakPolarHBondContact O-CB 3.29Å; D266-R270 WeakPolarHBondContact O-CG 3.39Å; D266-R270 PolarHBondContact O-N 3.05Å; D266-R270 IonicContact OD2-CZ 3.13Å; D266-R270 VanDerWaalsContact OD2-CZ 3.24Å; D266-R270 IonicContact OD2-NH1 2.95Å; D266-R270 PolarHBondContact OD2-NH1 3.17Å; D266-R270 VanDerWaalsContact OD2-NH1 3.13Å; D266-R270 IonicContact OD2-NH2 2.67Å; D266-R270 PolarHBondContact OD2-NH2 3.27Å
267M64.3Low82.8Confident109 Ų10970.6 Ų70.654%0.53734%0.339SS..Hα-helixtrans-56.2-39.3-170-17067.87700113.1T264 A265 T271T264-M267 WeakPolarHBondContact O-CB 3.28Å; T264-M267 PolarHBondContact O-N 2.97Å; A265-M267 PolarHBondContact O-N 3.13Å; M267-T271 WeakPolarHBondContact O-CB 3.42Å; M267-T271 PolarHBondContact O-N 2.89Å; M267-T271 VanDerWaalsContact O-N 3.13Å; M267-T271 PolarHBondContact O-OG1 3.22Å
268E64.6Low83.1Confident136 Ų13665.6 Ų65.664%0.63630%0.297SS*.Hα-helixtrans-70-50.7-179.6-152.273.4-103.100111.3D266 R270 T271 E272D266-E268 VanDerWaalsContact C-N 3.28Å; D266-E268 PolarHBondContact O-N 3.41Å; E268-R270 PolarHBondContact O-N 2.92Å; E268-T271 WeakPolarHBondContact O-CA 3.44Å; E268-T271 WeakPolarHBondContact O-CB 3.31Å; E268-T271 PolarHBondContact O-N 2.88Å; E268-E272 PolarHBondContact O-N 3.19Å
269R63.2Low83.2Confident177 Ų17759 Ų5967%0.66827%0.273SS*.Hα-helixtrans-61.6-46.5179.3-69.1-170.1177.9-150.51.2111.8D266 T271 E272 E273D266-R269 PolarHBondContact O-N 3.29Å; R269-T271 PolarHBondContact O-N 2.75Å; R269-E272 PolarHBondContact O-N 3.27Å; R269-E273 WeakPolarHBondContact O-CB 3.39Å; R269-E273 WeakPolarHBondContact O-CG 3.41Å; R269-E273 PolarHBondContact O-N 2.78Å
270R65.8Low83.2Confident119 Ų11961 Ų6145%0.44928%0.28SS..Hα-helixtrans-63.5-19174.8-69.9-174.9-176.8127.317.8113D266 E268 R274D266-R270 HydrophobicContact CB-CG 4.33Å; D266-R270 VanDerWaalsContact CB-NH1 3.33Å; D266-R270 VanDerWaalsContact CG-NH2 3.35Å; D266-R270 WeakPolarHBondContact O-CB 3.29Å; D266-R270 WeakPolarHBondContact O-CG 3.39Å; D266-R270 PolarHBondContact O-N 3.05Å; D266-R270 IonicContact OD2-CZ 3.13Å; D266-R270 VanDerWaalsContact OD2-CZ 3.24Å; D266-R270 IonicContact OD2-NH1 2.95Å; D266-R270 PolarHBondContact OD2-NH1 3.17Å; D266-R270 VanDerWaalsContact OD2-NH1 3.13Å; D266-R270 IonicContact OD2-NH2 2.67Å; D266-R270 PolarHBondContact OD2-NH2 3.27Å; E268-R270 PolarHBondContact O-N 2.92Å; R270-R274 WeakPolarHBondContact O-CD 3.39Å; R270-R274 WeakPolarHBondContact O-CG 3.49Å; R270-R274 PolarHBondContact O-NE 3.33Å
271T67Low83.1Confident39 Ų3961.3 Ų61.324%0.23928%0.282CS..Hα-helixtrans-83-45.1174.3-66.70000111.4M267 E268 R269 R274 K275M267-T271 WeakPolarHBondContact O-CB 3.42Å; M267-T271 PolarHBondContact O-N 2.89Å; M267-T271 VanDerWaalsContact O-N 3.13Å; M267-T271 PolarHBondContact O-OG1 3.22Å; E268-T271 WeakPolarHBondContact O-CA 3.44Å; E268-T271 WeakPolarHBondContact O-CB 3.31Å; E268-T271 PolarHBondContact O-N 2.88Å; R269-T271 PolarHBondContact O-N 2.75Å; T271-R274 PolarHBondContact O-N 3.37Å; T271-K275 PolarHBondContact O-N 3.23Å
272E71.9Confident83Confident71 Ų7158.7 Ų58.733%0.33227%0.27SS..Hα-helixtrans-61.7-44.2176.2-64.5-173.8168.300111E268 R269 R274 K275 S354E268-E272 PolarHBondContact O-N 3.19Å; R269-E272 PolarHBondContact O-N 3.27Å; E272-R274 PolarHBondContact O-N 2.71Å; E272-R274 VanDerWaalsContact O-N 3.14Å; E272-K275 PolarHBondContact O-N 3.01Å; E272-S354 VanDerWaalsContact CD-CB 3.41Å; E272-S354 VanDerWaalsContact OE1-CB 3.28Å; E272-S354 WeakPolarHBondContact OE1-CB 3.17Å; E272-S354 VanDerWaalsContact OE2-CB 3.31Å; E272-S354 WeakPolarHBondContact OE2-CB 3.41Å; E272-S354 PolarHBondContact OE2-OG 2.77Å
273E79.7Confident82.8Confident80 Ų8066.4 Ų66.437%0.37430%0.304SS..THydrogen-bonded Turntrans-73-0.3-179.2-67.7174.9-135.500115R269 Q324 F351R269-E273 WeakPolarHBondContact O-CB 3.39Å; R269-E273 WeakPolarHBondContact O-CG 3.41Å; R269-E273 PolarHBondContact O-N 2.78Å; E273-Q324 PolarHBondContact OE2-NE2 2.91Å; E273-F351 VanDerWaalsContact O-CE1 3.26Å; E273-F351 WeakPolarHBondContact O-CE1 3.28Å
274R89.8Confident82.7Confident59 Ų5968.4 Ų68.422%0.22332%0.315CS..THydrogen-bonded Turntrans-112.8-12.8174.6-70.8176.1-162.4-177.3-3114.2R270 T271 E272 E301 K320 F321 S322R270-R274 WeakPolarHBondContact O-CD 3.39Å; R270-R274 WeakPolarHBondContact O-CG 3.49Å; R270-R274 PolarHBondContact O-NE 3.33Å; T271-R274 PolarHBondContact O-N 3.37Å; E272-R274 PolarHBondContact O-N 2.71Å; E272-R274 VanDerWaalsContact O-N 3.14Å; R274-E301 IonicContact NH1-OE1 3.51Å; R274-E301 PolarHBondContact NH1-OE1 2.95Å; R274-K320 HydrophobicContact CB-CG 4.39Å; R274-F321 WeakPolarHBondContact CD-O 3.42Å; R274-F321 PolarHBondContact O-N 3.26Å; R274-S322 PolarHBondContact NE-O 3.41Å; R274-S322 PolarHBondContact NH1-O 2.93Å
275K92.9Very high82.7Confident49 Ų4968.2 Ų68.221%0.21331%0.312CS..EExtended strand (participates in β ladder)trans-92.9127-175.9-161.6157.8-169.5155.80109.5T271 E272 E302 F318 K320 A352T271-K275 PolarHBondContact O-N 3.23Å; E272-K275 PolarHBondContact O-N 3.01Å; K275-E302 IonicContact NZ-OE1 3.24Å; K275-E302 PolarHBondContact NZ-OE1 2.84Å; K275-E302 IonicContact NZ-OE2 2.68Å; K275-E302 PolarHBondContact NZ-OE2 3.37Å; K275-F318 HydrophobicContact CG-CB 4.49Å; K275-F318 HydrophobicContact CG-CD1 4.48Å; K275-K320 HydrophobicContact CG-CB 4.45Å; K275-A352 HydrophobicContact CB-CB 4.05Å; K275-A352 HydrophobicContact CG-CB 4.01Å; K275-A352 VanDerWaalsContact O-CB 3.31Å; K275-A352 WeakPolarHBondContact O-CB 3.39Å; K275-A352 PolarHBondContact O-N 3.31Å
276L94.9Very high83Confident0 Ų070.7 Ų70.70%032%0.322CS..EExtended strand (participates in β ladder)trans-104.2137.3178.2-59-173000110.5F294 F318 V319 F321 A327 A330 I331 V349 K350 F351L276-F294 HydrophobicContact CD1-CD1 4.4Å; L276-F294 HydrophobicContact CD1-CE1 3.94Å; L276-F318 VanDerWaalsContact O-CA 3.27Å; L276-F318 WeakPolarHBondContact O-CA 3.46Å; L276-F318 WeakPolarHBondContact O-CD1 3.27Å; L276-V319 PolarHBondContact N-O 2.84Å; L276-V319 PolarHBondContact O-N 3.5Å; L276-F321 HydrophobicContact CD1-CD2 4.1Å; L276-F321 HydrophobicContact CD1-CE2 3.74Å; L276-A327 HydrophobicContact CD1-CB 4.42Å; L276-A327 HydrophobicContact CD2-CB 4.04Å; L276-A327 HydrophobicContact CG-CB 4.24Å; L276-A330 HydrophobicContact CD1-CB 3.93Å; L276-I331 HydrophobicContact CD1-CG1 4.31Å; L276-I331 HydrophobicContact CD2-CD1 3.56Å; L276-I331 HydrophobicContact CD2-CG1 3.71Å; L276-V349 HydrophobicContact CD1-CG1 3.85Å; L276-K350 CarbonylContact C-O 3.55Å; L276-K350 WeakPolarHBondContact CA-O 3.4Å; L276-F351 HydrophobicContact CD2-CD1 3.85Å; L276-F351 HydrophobicContact CD2-CE1 4.08Å
277F95.1Very high84.1Confident66 Ų6672.6 Ų72.629%0.28933%0.329SS..EExtended strand (participates in β ladder)trans-87.5128159.9175-100.8000109.2C316 F318 K350 A352F277-C316 HydrophobicContact CE2-CB 3.62Å; F277-C316 HydrophobicContact CZ-CB 3.68Å; F277-F318 HydrophobicContact CB-CD1 4.28Å; F277-F318 HydrophobicContact CB-CE1 3.97Å; F277-F318 HydrophobicContact CD2-CD1 4.37Å; F277-F318 AromaticContact CD2-CE1 3.78Å; F277-F318 HydrophobicContact CD2-CE1 3.78Å; F277-F318 HydrophobicContact CD2-CZ 4.05Å; F277-F318 HydrophobicContact CG-CE1 4.38Å; F277-K350 PolarHBondContact N-O 3.17Å; F277-K350 PolarHBondContact O-N 2.72Å; F277-K350 VanDerWaalsContact O-N 3.09Å; F277-A352 HydrophobicContact CB-CB 4.46Å
278V95.1Very high85.5Confident0 Ų072.6 Ų72.60%033%0.328CS..EExtended strand (participates in β ladder)trans-115.6109.6177.6-171.80000108L281 F294 C316 A317 V319 I347 V348 V349V278-L281 HydrophobicContact CB-CD1 4.39Å; V278-L281 HydrophobicContact CG1-CD1 3.94Å; V278-L281 HydrophobicContact CG1-CD2 3.85Å; V278-L281 HydrophobicContact CG1-CG 3.96Å; V278-F294 HydrophobicContact CB-CZ 4.3Å; V278-F294 HydrophobicContact CG1-CE2 3.9Å; V278-F294 HydrophobicContact CG1-CZ 3.86Å; V278-F294 HydrophobicContact CG2-CE1 3.99Å; V278-F294 HydrophobicContact CG2-CE2 3.92Å; V278-F294 HydrophobicContact CG2-CZ 3.39Å; V278-C316 CarbonylContact O-C 3.59Å; V278-C316 WeakPolarHBondContact O-CA 3.03Å; V278-C316 VanDerWaalsContact O-CB 3.24Å; V278-C316 WeakPolarHBondContact O-CB 3.45Å; V278-A317 HydrophobicContact CB-CB 4.35Å; V278-A317 PolarHBondContact N-O 2.95Å; V278-A317 PolarHBondContact O-N 3.49Å; V278-V319 HydrophobicContact CG2-CB 4.41Å; V278-V319 HydrophobicContact CG2-CG2 3.82Å; V278-I347 HydrophobicContact CG1-CD1 3.71Å; V278-I347 HydrophobicContact CG1-CG1 3.9Å; V278-V348 CarbonylContact C-O 3.57Å; V278-V348 WeakPolarHBondContact CA-O 3.23Å; V278-V349 HydrophobicContact CG1-CG2 4.48Å
279G94.3Very high86.9Confident3 Ų369 Ų693%0.03131%0.313CS..EExtended strand (participates in β ladder)trans-112.5167.4-179.700000113.2L281 V348G279-L281 VanDerWaalsContact C-N 3.27Å; G279-L281 PolarHBondContact O-N 3.4Å; G279-V348 PolarHBondContact N-O 3.21Å; G279-V348 PolarHBondContact O-N 2.96Å
280M93.4Very high88.3Confident83 Ų8360.6 Ų60.641%0.40928%0.282SS..SBendtrans62.231.7-177.1-48.1-55.416700113.6G315 A343 S346 V348M280-G315 PolarHBondContact N-O 3.05Å; M280-G315 VanDerWaalsContact N-O 3.11Å; M280-A343 VanDerWaalsContact O-CB 3.22Å; M280-A343 WeakPolarHBondContact O-CB 3.15Å; M280-S346 WeakPolarHBondContact CB-O 3.49Å; M280-V348 HydrophobicContact CG-CG2 3.79Å
281L92.7Very high89.7Confident7 Ų758.8 Ų58.84%0.03728%0.275CS..  trans-74146.8167.2-63.1173.8000110.1V278 G279 V290 G315 A317 I347V278-L281 HydrophobicContact CB-CD1 4.39Å; V278-L281 HydrophobicContact CG1-CD1 3.94Å; V278-L281 HydrophobicContact CG1-CD2 3.85Å; V278-L281 HydrophobicContact CG1-CG 3.96Å; G279-L281 VanDerWaalsContact C-N 3.27Å; G279-L281 PolarHBondContact O-N 3.4Å; L281-V290 HydrophobicContact CD1-CG2 3.63Å; L281-V290 HydrophobicContact CD2-CG2 4.23Å; L281-G315 PolarHBondContact N-O 2.94Å; L281-G315 WeakPolarHBondContact O-CA 3.43Å; L281-A317 HydrophobicContact CD1-CB 3.69Å; L281-I347 HydrophobicContact CD2-CD1 3.75Å; L281-I347 HydrophobicContact CD2-CG1 4.17Å
282S91.6Very high91Very high9 Ų961.6 Ų61.66%0.06329%0.288CS..  trans-66.9145.2172.4-176.10000110.8Q284 Q285 P341S282-Q284 PolarHBondContact O-N 3.5Å; S282-Q285 WeakPolarHBondContact O-CB 3.33Å; S282-Q285 PolarHBondContact O-N 3.22Å; S282-P341 WeakPolarHBondContact CB-O 3.2Å; S282-P341 PolarHBondContact OG-O 2.9Å
283K89.4Confident92Very high163 Ų16359.7 Ų59.771%0.70928%0.28SS*.THydrogen-bonded Turntrans-65.1-13.5-175.9-66.8-176.7179.4177.40114.3S313K283-S313 WeakPolarHBondContact O-CB 3.49Å
284Q88.8Confident92.7Very high165 Ų16555.9 Ų55.977%0.77126%0.262SS*.THydrogen-bonded Turntrans-87.7-13.5176.1-66.4176.7-12.100113.2S282 N286S282-Q284 PolarHBondContact O-N 3.5Å; Q284-N286 PolarHBondContact O-ND2 3.24Å
285Q87.9Confident93Very high31 Ų3158.7 Ų58.715%0.14528%0.277CS..  trans-72.4131.5-178.8-65.4-85.5-90.100111.2S282 D289S282-Q285 WeakPolarHBondContact O-CB 3.33Å; S282-Q285 PolarHBondContact O-N 3.22Å; Q285-D289 HydrophobicContact CB-CB 4.44Å; Q285-D289 VanDerWaalsContact NE2-CB 3.34Å
286N90.8Very high93.1Very high76 Ų7661.3 Ų61.341%0.40630%0.3SS..  trans-104.3179.3176.5-62.5-70.9000110.6Q284 E288 D289 V290 R307Q284-N286 PolarHBondContact O-ND2 3.24Å; N286-E288 VanDerWaalsContact C-N 3.25Å; N286-E288 PolarHBondContact O-N 3.5Å; N286-D289 PolarHBondContact N-OD2 3.12Å; N286-D289 PolarHBondContact O-N 3.31Å; N286-V290 PolarHBondContact O-N 3.19Å; N286-R307 PolarHBondContact OD1-NH2 3.35Å
287E93.3Very high93.1Very high82 Ų8263.4 Ų63.438%0.38331%0.309SS..Hα-helixtrans-60.4-37.3-178.5-162.1-178131.400112.2V290 R291 C303 I305E287-V290 PolarHBondContact O-N 3.09Å; E287-R291 WeakPolarHBondContact O-CB 3.26Å; E287-R291 PolarHBondContact O-N 3.24Å; E287-C303 HydrophobicContact CG-CB 3.54Å; E287-C303 VanDerWaalsContact CG-SG 3.51Å; E287-I305 HydrophobicContact CB-CG1 4.17Å
288E93.9Very high93Very high109 Ų10961 Ų6151%0.50930%0.303SS..Hα-helixtrans-67.5-42.2179.8-155.961.2-152.500112.6N286 V290 R291 L292N286-E288 VanDerWaalsContact C-N 3.25Å; N286-E288 PolarHBondContact O-N 3.5Å; E288-V290 PolarHBondContact O-N 3.09Å; E288-R291 WeakPolarHBondContact O-CB 3.13Å; E288-R291 PolarHBondContact O-N 2.87Å; E288-L292 HydrophobicContact CG-CD1 4.43Å; E288-L292 WeakPolarHBondContact O-CB 3.1Å; E288-L292 WeakPolarHBondContact O-CG 3.34Å; E288-L292 PolarHBondContact O-N 2.68Å
289D92.6Very high93Very high62 Ų6265.4 Ų65.433%0.33233%0.33SS..Hα-helixtrans-61.1-37.7176.8-54.4-68.4000111.3Q285 N286 L293Q285-D289 HydrophobicContact CB-CB 4.44Å; Q285-D289 VanDerWaalsContact NE2-CB 3.34Å; N286-D289 PolarHBondContact N-OD2 3.12Å; N286-D289 PolarHBondContact O-N 3.31Å; D289-L293 PolarHBondContact O-N 3.22Å
290V93.6Very high93.1Very high0 Ų066 Ų660%033%0.332CS..Hα-helixtrans-75.3-38176.1179.30000111.1L281 N286 E287 E288 L293 F294 I305 A317 V319L281-V290 HydrophobicContact CD1-CG2 3.63Å; L281-V290 HydrophobicContact CD2-CG2 4.23Å; N286-V290 PolarHBondContact O-N 3.19Å; E287-V290 PolarHBondContact O-N 3.09Å; E288-V290 PolarHBondContact O-N 3.09Å; V290-L293 PolarHBondContact O-N 3.4Å; V290-F294 HydrophobicContact CG1-CD2 3.95Å; V290-F294 HydrophobicContact CG1-CE2 4.14Å; V290-F294 VanDerWaalsContact O-CD2 3.3Å; V290-F294 WeakPolarHBondContact O-CD2 3.4Å; V290-F294 PolarHBondContact O-N 3.07Å; V290-F294 VanDerWaalsContact O-N 3.13Å; V290-I305 HydrophobicContact CB-CD1 4.35Å; V290-I305 HydrophobicContact CG2-CD1 3.74Å; V290-A317 HydrophobicContact CG1-CB 4.4Å; V290-V319 HydrophobicContact CG1-CG2 3.65Å
291R95.3Very high93.1Very high80 Ų8066.4 Ų66.430%0.30233%0.333SS..Hα-helixtrans-57.8-52.1174.2176.4177.7-75.5-84-1.6110.4E287 E288 L293 F294 E295 I300E287-R291 WeakPolarHBondContact O-CB 3.26Å; E287-R291 PolarHBondContact O-N 3.24Å; E288-R291 WeakPolarHBondContact O-CB 3.13Å; E288-R291 PolarHBondContact O-N 2.87Å; R291-L293 VanDerWaalsContact C-N 3.28Å; R291-L293 PolarHBondContact O-N 2.98Å; R291-F294 PolarHBondContact O-N 3.5Å; R291-F294 VanDerWaalsContact O-N 3.08Å; R291-E295 VanDerWaalsContact O-CB 3.31Å; R291-E295 WeakPolarHBondContact O-CB 3.41Å; R291-E295 PolarHBondContact O-N 3.42Å; R291-I300 HydrophobicContact CG-CD1 4.18Å; R291-I300 WeakPolarHBondContact O-CD1 3.34Å
292L94.4Very high93Very high98 Ų9869.4 Ų69.451%0.51335%0.347SS..Hα-helixtrans-60.9-32.1178.3-69.2167.2000113.4E288 P296E288-L292 HydrophobicContact CG-CD1 4.43Å; E288-L292 WeakPolarHBondContact O-CB 3.1Å; E288-L292 WeakPolarHBondContact O-CG 3.34Å; E288-L292 PolarHBondContact O-N 2.68Å; L292-P296 WeakPolarHBondContact O-CD 3.36Å
293L92.8Very high93.2Very high31 Ų3169.3 Ų69.316%0.16235%0.346CS..Hα-helixtrans-73.7-28.1176-177.461.1000113.1D289 V290 R291 L334 I347D289-L293 PolarHBondContact O-N 3.22Å; V290-L293 PolarHBondContact O-N 3.4Å; R291-L293 VanDerWaalsContact C-N 3.28Å; R291-L293 PolarHBondContact O-N 2.98Å; L293-L334 HydrophobicContact CD1-CD2 3.96Å; L293-L334 HydrophobicContact CG-CD1 4.23Å; L293-L334 HydrophobicContact CG-CD2 4.27Å; L293-I347 HydrophobicContact CD2-CD1 3.64Å
294F95.2Very high93.4Very high0 Ų064.2 Ų64.20%033%0.329CS..Hα-helixtrans-102.8-20.2-175.3-81.1-102.8000113.9L276 V278 V290 R291 P296 F297 I300 V319 F321 A330 L334 I347 V349L276-F294 HydrophobicContact CD1-CD1 4.4Å; L276-F294 HydrophobicContact CD1-CE1 3.94Å; V278-F294 HydrophobicContact CB-CZ 4.3Å; V278-F294 HydrophobicContact CG1-CE2 3.9Å; V278-F294 HydrophobicContact CG1-CZ 3.86Å; V278-F294 HydrophobicContact CG2-CE1 3.99Å; V278-F294 HydrophobicContact CG2-CE2 3.92Å; V278-F294 HydrophobicContact CG2-CZ 3.39Å; V290-F294 HydrophobicContact CG1-CD2 3.95Å; V290-F294 HydrophobicContact CG1-CE2 4.14Å; V290-F294 VanDerWaalsContact O-CD2 3.3Å; V290-F294 WeakPolarHBondContact O-CD2 3.4Å; V290-F294 PolarHBondContact O-N 3.07Å; V290-F294 VanDerWaalsContact O-N 3.13Å; R291-F294 PolarHBondContact O-N 3.5Å; R291-F294 VanDerWaalsContact O-N 3.08Å; F294-P296 VanDerWaalsContact C-CD 3.41Å; F294-F297 PolarHBondContact O-N 3Å; F294-F297 VanDerWaalsContact O-N 3.09Å; F294-I300 HydrophobicContact CB-CD1 3.7Å; F294-V319 HydrophobicContact CB-CG1 4.21Å; F294-V319 HydrophobicContact CD1-CB 4.43Å; F294-V319 HydrophobicContact CD1-CG1 4.12Å; F294-V319 HydrophobicContact CD1-CG2 4.42Å; F294-V319 HydrophobicContact CD2-CG2 4.4Å; F294-V319 HydrophobicContact CG-CG1 4.24Å; F294-V319 HydrophobicContact CG-CG2 4.3Å; F294-F321 HydrophobicContact CB-CZ 4.02Å; F294-F321 AromaticContact CD1-CE2 3.88Å; F294-F321 HydrophobicContact CD1-CE2 3.88Å; F294-F321 AromaticContact CD1-CZ 3.86Å; F294-F321 HydrophobicContact CD1-CZ 3.86Å; F294-F321 HydrophobicContact CG-CZ 4.46Å; F294-A330 HydrophobicContact CD1-CB 4.02Å; F294-A330 HydrophobicContact CE1-CB 4.13Å; F294-L334 HydrophobicContact CD1-CD1 3.86Å; F294-L334 HydrophobicContact CD2-CD1 3.9Å; F294-L334 HydrophobicContact CE1-CD1 3.63Å; F294-L334 HydrophobicContact CE2-CD1 3.67Å; F294-L334 HydrophobicContact CG-CD1 4Å; F294-L334 HydrophobicContact CZ-CD1 3.53Å; F294-I347 HydrophobicContact CE2-CD1 4.38Å; F294-V349 HydrophobicContact CE1-CG1 3.76Å; F294-V349 HydrophobicContact CE1-CG2 4.43Å; F294-V349 HydrophobicContact CZ-CG1 3.91Å; F294-V349 HydrophobicContact CZ-CG2 3.78Å
295E95Very high93.6Very high118 Ų11857.1 Ų57.155%0.55130%0.296SS*.G310 helixtrans-52.7-39176.8175.3174.6-144.800114.4R291 F297 G298R291-E295 VanDerWaalsContact O-CB 3.31Å; R291-E295 WeakPolarHBondContact O-CB 3.41Å; R291-E295 PolarHBondContact O-N 3.42Å; E295-F297 PolarHBondContact O-N 3.02Å; E295-G298 PolarHBondContact O-N 3.3Å
296P94.7Very high93.9Very high105 Ų10557.7 Ų57.768%0.68230%0.3SS*.G310 helixtrans-62.5-13.5177.4-2535.9000115.2L292 F294L292-P296 WeakPolarHBondContact O-CD 3.36Å; F294-P296 VanDerWaalsContact C-CD 3.41Å
297F94.3Very high94Very high43 Ų4360 Ų6019%0.18930%0.303CS..G310 helixtrans-99.9-11-178.5-58.2-77.8000113.8F294 E295 F321 E326 A330 T333 L334F294-F297 PolarHBondContact O-N 3Å; F294-F297 VanDerWaalsContact O-N 3.09Å; E295-F297 PolarHBondContact O-N 3.02Å; F297-F321 HydrophobicContact CB-CE1 4.28Å; F297-F321 HydrophobicContact CB-CZ 4.06Å; F297-E326 WeakPolarHBondContact O-CA 3.36Å; F297-E326 VanDerWaalsContact O-CB 3.28Å; F297-E326 WeakPolarHBondContact O-CB 3.21Å; F297-E326 WeakPolarHBondContact O-CG 3.37Å; F297-A330 HydrophobicContact CB-CB 3.84Å; F297-A330 HydrophobicContact CD1-CB 4.45Å; F297-A330 HydrophobicContact CD2-CB 4.23Å; F297-A330 HydrophobicContact CG-CB 3.89Å; F297-T333 VanDerWaalsContact CE1-CB 3.41Å; F297-T333 HydrophobicContact CE1-CG2 3.68Å; F297-T333 HydrophobicContact CZ-CG2 3.71Å; F297-L334 HydrophobicContact CD2-CD1 4.04Å; F297-L334 HydrophobicContact CD2-CG 4.38Å; F297-L334 HydrophobicContact CE2-CD1 3.63Å; F297-L334 HydrophobicContact CE2-CD2 3.8Å; F297-L334 HydrophobicContact CE2-CG 3.6Å; F297-L334 HydrophobicContact CZ-CD1 4.38Å; F297-L334 HydrophobicContact CZ-CD2 3.97Å; F297-L334 HydrophobicContact CZ-CG 3.85Å
298G93.9Very high93.9Very high17 Ų1759.9 Ų59.918%0.17531%0.305CS..SBendtrans152.4-179.1-178.200000115.7E295 E326E295-G298 PolarHBondContact O-N 3.3Å; G298-E326 WeakPolarHBondContact CA-OE1 3.33Å
299T95.5Very high93.9Very high91 Ų9163.5 Ų63.556%0.55832%0.322SS*.  trans-77.3122.6-179.8-560000111F321 S322 E326T299-F321 CarbonylContact O-C 3.54Å; T299-F321 WeakPolarHBondContact O-CA 3.06Å; T299-F321 WeakPolarHBondContact O-CD1 3.42Å; T299-S322 WeakPolarHBondContact CB-OG 3.44Å; T299-S322 WeakPolarHBondContact CG2-OG 3.47Å; T299-S322 PolarHBondContact O-N 2.94Å; T299-S322 PolarHBondContact O-OG 3.1Å; T299-E326 PolarHBondContact N-OE1 3.28Å
300I95.1Very high93.7Very high16 Ų1666.1 Ų66.18%0.08234%0.336CS..EExtended strand (participates in β ladder)trans-92.7110180-60.5167.9000110.1R291 F294 E302 C303 V319 K320 F321R291-I300 HydrophobicContact CG-CD1 4.18Å; R291-I300 WeakPolarHBondContact O-CD1 3.34Å; F294-I300 HydrophobicContact CB-CD1 3.7Å; I300-E302 WeakPolarHBondContact CG2-O 3.46Å; I300-C303 HydrophobicContact CG2-CB 4.24Å; I300-V319 HydrophobicContact CD1-CG1 4.3Å; I300-V319 HydrophobicContact CG1-CG1 4.13Å; I300-V319 HydrophobicContact CG2-CG1 4.02Å; I300-K320 CarbonylContact C-O 3.51Å; I300-K320 WeakPolarHBondContact CA-O 3.5Å; I300-F321 HydrophobicContact CG1-CD1 4.34Å; I300-F321 HydrophobicContact CG1-CE1 3.97Å; I300-F321 HydrophobicContact CG1-CZ 4.46Å
301E93.3Very high93.5Very high92 Ų9268 Ų6843%0.4336%0.355SS..EExtended strand (participates in β ladder)trans-70.8-39.1173-70.7-172.5-167.700112.2R274 K320R274-E301 IonicContact NH1-OE1 3.51Å; R274-E301 PolarHBondContact NH1-OE1 2.95Å; E301-K320 HydrophobicContact CB-CD 4.19Å; E301-K320 PolarHBondContact N-O 3.49Å; E301-K320 WeakPolarHBondContact OE2-CD 3.37Å; E301-K320 WeakPolarHBondContact OE2-CE 3.18Å; E301-K320 IonicContact OE2-NZ 2.64Å; E301-K320 PolarHBondContact OE2-NZ 3.02Å
302E92.4Very high93.3Very high70 Ų7069.1 Ų69.133%0.32737%0.367SS..EExtended strand (participates in β ladder)trans-147131.6-172.6-168.4-163152.300109.5K275 I300 V319 K320K275-E302 IonicContact NZ-OE1 3.24Å; K275-E302 PolarHBondContact NZ-OE1 2.84Å; K275-E302 IonicContact NZ-OE2 2.68Å; K275-E302 PolarHBondContact NZ-OE2 3.37Å; I300-E302 WeakPolarHBondContact CG2-O 3.46Å; E302-V319 CarbonylContact O-C 3.56Å; E302-V319 WeakPolarHBondContact O-CA 3.45Å; E302-K320 HydrophobicContact CB-CB 3.75Å; E302-K320 HydrophobicContact CB-CD 4.36Å; E302-K320 PolarHBondContact N-O 2.96Å; E302-K320 PolarHBondContact O-N 2.91Å
303C94.2Very high93.2Very high6 Ų664.9 Ų64.94%0.04135%0.345CS..EExtended strand (participates in β ladder)trans-125.4145.4165.3-168.20000107.7E287 I300 F318E287-C303 HydrophobicContact CG-CB 3.54Å; E287-C303 VanDerWaalsContact CG-SG 3.51Å; I300-C303 HydrophobicContact CG2-CB 4.24Å; C303-F318 CarbonylContact C-O 3.53Å; C303-F318 WeakPolarHBondContact CA-O 3.47Å
304T93.8Very high93.1Very high57 Ų5768.9 Ų68.935%0.3536%0.362SS..EExtended strand (participates in β ladder)trans-156.7116.5177.9-64.80000110.9A317 F318T304-A317 CarbonylContact O-C 3.43Å; T304-A317 WeakPolarHBondContact O-CA 3.31Å; T304-A317 WeakPolarHBondContact O-CB 3.29Å; T304-F318 PolarHBondContact N-O 3.18Å; T304-F318 PolarHBondContact O-N 2.8Å
305I94.3Very high93Very high16 Ų1669.3 Ų69.38%0.08237%0.366CS..EExtended strand (participates in β ladder)trans-75.6127.3171.2-52.9-53.4000110E287 V290 R307 S313 A317E287-I305 HydrophobicContact CB-CG1 4.17Å; V290-I305 HydrophobicContact CB-CD1 4.35Å; V290-I305 HydrophobicContact CG2-CD1 3.74Å; I305-R307 HydrophobicContact CG2-CG 4.36Å; I305-R307 PolarHBondContact O-N 2.76Å; I305-S313 WeakPolarHBondContact CG2-OG 3.45Å; I305-A317 HydrophobicContact CD1-CB 3.65Å
306L92.7Very high92.9Very high43 Ų4364.5 Ų64.523%0.22535%0.345CS..EExtended strand (participates in β ladder)trans-74.9115.2172.3-104.261.6000109.8K314 C316 F318L306-K314 HydrophobicContact CB-CB 4.46Å; L306-K314 HydrophobicContact CB-CD 4.48Å; L306-K314 VanDerWaalsContact O-CB 3.3Å; L306-K314 WeakPolarHBondContact O-CB 3.48Å; L306-K314 WeakPolarHBondContact O-CG 3.43Å; L306-K314 PolarHBondContact O-N 3.05Å; L306-C316 PolarHBondContact N-O 2.85Å; L306-F318 HydrophobicContact CD1-CD2 3.49Å; L306-F318 VanDerWaalsContact CD1-CD2 3.49Å; L306-F318 HydrophobicContact CD1-CE2 3.57Å; L306-F318 HydrophobicContact CD2-CE2 3.96Å; L306-F318 HydrophobicContact CG-CE2 4.44Å
307R94Very high92.9Very high124 Ų12459.5 Ų59.547%0.46831%0.313SS..EExtended strand (participates in β ladder)trans-106.1152.3176-66176.1-177.3-88.2-0.6110.9N286 I305 G311 N312N286-R307 PolarHBondContact OD1-NH2 3.35Å; I305-R307 HydrophobicContact CG2-CG 4.36Å; I305-R307 PolarHBondContact O-N 2.76Å; R307-G311 WeakPolarHBondContact CD-O 3.36Å; R307-G311 PolarHBondContact NH1-O 3.13Å; R307-G311 VanDerWaalsContact NH1-O 3.12Å; R307-N312 CarbonylContact C-O 3.53Å; R307-N312 VanDerWaalsContact CA-O 3.27Å; R307-N312 WeakPolarHBondContact CA-O 3.43Å
308D92.1Very high93Very high79 Ų7959.3 Ų59.342%0.42231%0.312SS..  trans-85.3173.1177.1-154.4-3.3000111.3N310 G311 N312 K314D308-N310 PolarHBondContact O-N 2.83Å; D308-G311 PolarHBondContact O-N 2.74Å; D308-N312 PolarHBondContact N-O 3.26Å; D308-K314 HydrophobicContact CB-CD 4.41Å; D308-K314 HydrophobicContact CB-CG 4.06Å
309Q92.5Very high93Very high185 Ų18558.5 Ų58.586%0.86430%0.304SS*.THydrogen-bonded Turntrans-57.9-21.3177.662.7177.369.900113.8
310N89.4Confident93Very high117 Ų11755.5 Ų55.563%0.62628%0.283SS*.THydrogen-bonded Turntrans-89.37.7174.3-63.787.3000113.9D308 N312D308-N310 PolarHBondContact O-N 2.83Å; N310-N312 PolarHBondContact O-N 3.44Å; N310-N312 VanDerWaalsContact O-N 3.14Å
311G88.8Confident92.9Very high39 Ų3954.8 Ų54.840%0.40228%0.279SS..SBendtrans76.6-12.5-176.300000115.5R307 D308R307-G311 WeakPolarHBondContact CD-O 3.36Å; R307-G311 PolarHBondContact NH1-O 3.13Å; R307-G311 VanDerWaalsContact NH1-O 3.12Å; D308-G311 PolarHBondContact O-N 2.74Å
312N90.7Very high92.9Very high105 Ų10552.1 Ų52.156%0.56127%0.271SS*.  trans-60138176.3-69.2-42.7000111.9R307 D308 N310 K314R307-N312 CarbonylContact C-O 3.53Å; R307-N312 VanDerWaalsContact CA-O 3.27Å; R307-N312 WeakPolarHBondContact CA-O 3.43Å; D308-N312 PolarHBondContact N-O 3.26Å; N310-N312 PolarHBondContact O-N 3.44Å; N310-N312 VanDerWaalsContact O-N 3.14Å; N312-K314 PolarHBondContact O-N 2.9Å
313S91.7Very high92.8Very high8 Ų851.1 Ų51.16%0.05627%0.27CS..EExtended strand (participates in β ladder)trans-63134.9171.4177.40000110.9K283 I305 G315K283-S313 WeakPolarHBondContact O-CB 3.49Å; I305-S313 WeakPolarHBondContact CG2-OG 3.45Å; S313-G315 PolarHBondContact O-N 3.49Å; S313-G315 PolarHBondContact OG-N 3.41Å
314K92Very high92.6Very high115 Ų11553.9 Ų53.950%0.528%0.282SS..EExtended strand (participates in β ladder)trans-81.61.5176.6-61.5-172.694.8-62.60113.1L306 D308 N312 C316L306-K314 HydrophobicContact CB-CB 4.46Å; L306-K314 HydrophobicContact CB-CD 4.48Å; L306-K314 VanDerWaalsContact O-CB 3.3Å; L306-K314 WeakPolarHBondContact O-CB 3.48Å; L306-K314 WeakPolarHBondContact O-CG 3.43Å; L306-K314 PolarHBondContact O-N 3.05Å; D308-K314 HydrophobicContact CB-CD 4.41Å; D308-K314 HydrophobicContact CB-CG 4.06Å; N312-K314 PolarHBondContact O-N 2.9Å; K314-C316 VanDerWaalsContact C-N 3.34Å
315G91.9Very high92.6Very high10 Ų1055.8 Ų55.810%0.10329%0.287CS..EExtended strand (participates in β ladder)trans74.224.8-175.300000113.6M280 L281 S313M280-G315 PolarHBondContact N-O 3.05Å; M280-G315 VanDerWaalsContact N-O 3.11Å; L281-G315 PolarHBondContact N-O 2.94Å; L281-G315 WeakPolarHBondContact O-CA 3.43Å; S313-G315 PolarHBondContact O-N 3.49Å; S313-G315 PolarHBondContact OG-N 3.41Å
316C93.4Very high92.6Very high16 Ų1656.6 Ų56.611%0.10829%0.29CS..EExtended strand (participates in β ladder)trans-148.9158.6174.558.80000112.7F277 V278 L306 K314F277-C316 HydrophobicContact CE2-CB 3.62Å; F277-C316 HydrophobicContact CZ-CB 3.68Å; V278-C316 CarbonylContact O-C 3.59Å; V278-C316 WeakPolarHBondContact O-CA 3.03Å; V278-C316 VanDerWaalsContact O-CB 3.24Å; V278-C316 WeakPolarHBondContact O-CB 3.45Å; L306-C316 PolarHBondContact N-O 2.85Å; K314-C316 VanDerWaalsContact C-N 3.34Å
317A95.3Very high92.7Very high0 Ų054.6 Ų54.60%028%0.28CS..EExtended strand (participates in β ladder)trans-141.5166-179.700000111V278 L281 V290 T304 I305V278-A317 HydrophobicContact CB-CB 4.35Å; V278-A317 PolarHBondContact N-O 2.95Å; V278-A317 PolarHBondContact O-N 3.49Å; L281-A317 HydrophobicContact CD1-CB 3.69Å; V290-A317 HydrophobicContact CG1-CB 4.4Å; T304-A317 CarbonylContact O-C 3.43Å; T304-A317 WeakPolarHBondContact O-CA 3.31Å; T304-A317 WeakPolarHBondContact O-CB 3.29Å; I305-A317 HydrophobicContact CD1-CB 3.65Å
318F95.3Very high92.7Very high40 Ų4052.7 Ų52.718%0.17528%0.276CS..EExtended strand (participates in β ladder)trans-112.1140.9159.1-67.8-74.4000109.8K275 L276 F277 C303 T304 L306 A352K275-F318 HydrophobicContact CG-CB 4.49Å; K275-F318 HydrophobicContact CG-CD1 4.48Å; L276-F318 VanDerWaalsContact O-CA 3.27Å; L276-F318 WeakPolarHBondContact O-CA 3.46Å; L276-F318 WeakPolarHBondContact O-CD1 3.27Å; F277-F318 HydrophobicContact CB-CD1 4.28Å; F277-F318 HydrophobicContact CB-CE1 3.97Å; F277-F318 HydrophobicContact CD2-CD1 4.37Å; F277-F318 AromaticContact CD2-CE1 3.78Å; F277-F318 HydrophobicContact CD2-CE1 3.78Å; F277-F318 HydrophobicContact CD2-CZ 4.05Å; F277-F318 HydrophobicContact CG-CE1 4.38Å; C303-F318 CarbonylContact C-O 3.53Å; C303-F318 WeakPolarHBondContact CA-O 3.47Å; T304-F318 PolarHBondContact N-O 3.18Å; T304-F318 PolarHBondContact O-N 2.8Å; L306-F318 HydrophobicContact CD1-CD2 3.49Å; L306-F318 VanDerWaalsContact CD1-CD2 3.49Å; L306-F318 HydrophobicContact CD1-CE2 3.57Å; L306-F318 HydrophobicContact CD2-CE2 3.96Å; L306-F318 HydrophobicContact CG-CE2 4.44Å; F318-A352 HydrophobicContact CD1-CB 3.79Å; F318-A352 HydrophobicContact CE1-CB 3.68Å
319V95.1Very high92.9Very high0 Ų051.5 Ų51.50%027%0.274CS..EExtended strand (participates in β ladder)trans-127.5134.7174-179.80000107.6L276 V278 V290 F294 I300 E302 F321L276-V319 PolarHBondContact N-O 2.84Å; L276-V319 PolarHBondContact O-N 3.5Å; V278-V319 HydrophobicContact CG2-CB 4.41Å; V278-V319 HydrophobicContact CG2-CG2 3.82Å; V290-V319 HydrophobicContact CG1-CG2 3.65Å; F294-V319 HydrophobicContact CB-CG1 4.21Å; F294-V319 HydrophobicContact CD1-CB 4.43Å; F294-V319 HydrophobicContact CD1-CG1 4.12Å; F294-V319 HydrophobicContact CD1-CG2 4.42Å; F294-V319 HydrophobicContact CD2-CG2 4.4Å; F294-V319 HydrophobicContact CG-CG1 4.24Å; F294-V319 HydrophobicContact CG-CG2 4.3Å; I300-V319 HydrophobicContact CD1-CG1 4.3Å; I300-V319 HydrophobicContact CG1-CG1 4.13Å; I300-V319 HydrophobicContact CG2-CG1 4.02Å; E302-V319 CarbonylContact O-C 3.56Å; E302-V319 WeakPolarHBondContact O-CA 3.45Å; V319-F321 HydrophobicContact CG1-CD2 4.47Å; V319-F321 HydrophobicContact CG1-CE2 4.11Å; V319-F321 HydrophobicContact CG1-CZ 4.45Å
320K93.9Very high93.1Very high28 Ų2842.7 Ų42.712%0.12223%0.233CC..EExtended strand (participates in β ladder)trans-120.7124.5177.4-168.9-166177-164.40109.3R274 K275 I300 E301 E302R274-K320 HydrophobicContact CB-CG 4.39Å; K275-K320 HydrophobicContact CG-CB 4.45Å; I300-K320 CarbonylContact C-O 3.51Å; I300-K320 WeakPolarHBondContact CA-O 3.5Å; E301-K320 HydrophobicContact CB-CD 4.19Å; E301-K320 PolarHBondContact N-O 3.49Å; E301-K320 WeakPolarHBondContact OE2-CD 3.37Å; E301-K320 WeakPolarHBondContact OE2-CE 3.18Å; E301-K320 IonicContact OE2-NZ 2.64Å; E301-K320 PolarHBondContact OE2-NZ 3.02Å; E302-K320 HydrophobicContact CB-CB 3.75Å; E302-K320 HydrophobicContact CB-CD 4.36Å; E302-K320 PolarHBondContact N-O 2.96Å; E302-K320 PolarHBondContact O-N 2.91Å
321F94.9Very high93.3Very high0 Ų038.4 Ų38.40%021%0.21CC..EExtended strand (participates in β ladder)trans-91.2160.1174.4-75.4-81.4000112.4R274 L276 F294 F297 T299 I300 V319 T323 E326 A327 A330R274-F321 WeakPolarHBondContact CD-O 3.42Å; R274-F321 PolarHBondContact O-N 3.26Å; L276-F321 HydrophobicContact CD1-CD2 4.1Å; L276-F321 HydrophobicContact CD1-CE2 3.74Å; F294-F321 HydrophobicContact CB-CZ 4.02Å; F294-F321 AromaticContact CD1-CE2 3.88Å; F294-F321 HydrophobicContact CD1-CE2 3.88Å; F294-F321 AromaticContact CD1-CZ 3.86Å; F294-F321 HydrophobicContact CD1-CZ 3.86Å; F294-F321 HydrophobicContact CG-CZ 4.46Å; F297-F321 HydrophobicContact CB-CE1 4.28Å; F297-F321 HydrophobicContact CB-CZ 4.06Å; T299-F321 CarbonylContact O-C 3.54Å; T299-F321 WeakPolarHBondContact O-CA 3.06Å; T299-F321 WeakPolarHBondContact O-CD1 3.42Å; I300-F321 HydrophobicContact CG1-CD1 4.34Å; I300-F321 HydrophobicContact CG1-CE1 3.97Å; I300-F321 HydrophobicContact CG1-CZ 4.46Å; V319-F321 HydrophobicContact CG1-CD2 4.47Å; V319-F321 HydrophobicContact CG1-CE2 4.11Å; V319-F321 HydrophobicContact CG1-CZ 4.45Å; F321-T323 VanDerWaalsContact C-N 3.31Å; F321-T323 WeakPolarHBondContact CB-O 3.2Å; F321-E326 HydrophobicContact CB-CB 3.95Å; F321-E326 HydrophobicContact CD1-CB 3.64Å; F321-E326 HydrophobicContact CD1-CG 4.5Å; F321-E326 HydrophobicContact CE1-CB 4.28Å; F321-E326 HydrophobicContact CG-CB 3.83Å; F321-A327 HydrophobicContact CB-CB 4.28Å; F321-A327 HydrophobicContact CD2-CB 3.85Å; F321-A327 HydrophobicContact CG-CB 4.42Å; F321-A330 HydrophobicContact CE2-CB 3.69Å; F321-A330 HydrophobicContact CZ-CB 3.87Å
322S91.7Very high93.6Very high36 Ų3643.5 Ų43.525%0.25223%0.227SC..SBendtrans-63.8-33.7171.3-67.70000112.8R274 T299R274-S322 PolarHBondContact NE-O 3.41Å; R274-S322 PolarHBondContact NH1-O 2.93Å; T299-S322 WeakPolarHBondContact CB-OG 3.44Å; T299-S322 WeakPolarHBondContact CG2-OG 3.47Å; T299-S322 PolarHBondContact O-N 2.94Å; T299-S322 PolarHBondContact O-OG 3.1Å
323T90.2Very high93.8Very high50 Ų5042.5 Ų42.531%0.30723%0.225SC..SBendtrans-127.9167.7-179.374.20000112.5F321 E326F321-T323 VanDerWaalsContact C-N 3.31Å; F321-T323 WeakPolarHBondContact CB-O 3.2Å; T323-E326 WeakPolarHBondContact CA-OE2 3.44Å; T323-E326 VanDerWaalsContact CB-OE2 3.27Å; T323-E326 WeakPolarHBondContact CB-OE2 3.43Å; T323-E326 WeakPolarHBondContact CG2-OE2 3.17Å; T323-E326 PolarHBondContact N-OE2 3.49Å; T323-E326 WeakPolarHBondContact OG1-CG 3.47Å; T323-E326 PolarHBondContact OG1-N 2.89Å; T323-E326 PolarHBondContact OG1-OE2 3.05Å
324Q90.6Very high94Very high64 Ų6442.4 Ų42.430%0.29922%0.224SC..Hα-helixtrans-80.5-31.4177.9-177.1170.418.400111.7E273 A327 Q328E273-Q324 PolarHBondContact OE2-NE2 2.91Å; Q324-A327 PolarHBondContact O-N 2.79Å; Q324-Q328 WeakPolarHBondContact O-CG 3.32Å; Q324-Q328 PolarHBondContact O-N 2.92Å
325Q93.3Very high94.1Very high96 Ų9640.8 Ų40.845%0.44922%0.218SC..Hα-helixtrans-67.5-41.3179.4-6391-39.200111.9Q328 S329Q325-Q328 PolarHBondContact O-N 3.23Å; Q325-S329 WeakPolarHBondContact O-CB 3.19Å; Q325-S329 PolarHBondContact O-N 3.33Å; Q325-S329 PolarHBondContact O-OG 3.03Å
326E94.9Very high94.1Very high34 Ų3442 Ų4216%0.15923%0.23CC..Hα-helixtrans-59.2-47.5171.9-66.5163.2127.600110.6F297 G298 T299 F321 T323 Q328 S329 A330F297-E326 WeakPolarHBondContact O-CA 3.36Å; F297-E326 VanDerWaalsContact O-CB 3.28Å; F297-E326 WeakPolarHBondContact O-CB 3.21Å; F297-E326 WeakPolarHBondContact O-CG 3.37Å; G298-E326 WeakPolarHBondContact CA-OE1 3.33Å; T299-E326 PolarHBondContact N-OE1 3.28Å; F321-E326 HydrophobicContact CB-CB 3.95Å; F321-E326 HydrophobicContact CD1-CB 3.64Å; F321-E326 HydrophobicContact CD1-CG 4.5Å; F321-E326 HydrophobicContact CE1-CB 4.28Å; F321-E326 HydrophobicContact CG-CB 3.83Å; T323-E326 WeakPolarHBondContact CA-OE2 3.44Å; T323-E326 VanDerWaalsContact CB-OE2 3.27Å; T323-E326 WeakPolarHBondContact CB-OE2 3.43Å; T323-E326 WeakPolarHBondContact CG2-OE2 3.17Å; T323-E326 PolarHBondContact N-OE2 3.49Å; T323-E326 WeakPolarHBondContact OG1-CG 3.47Å; T323-E326 PolarHBondContact OG1-N 2.89Å; T323-E326 PolarHBondContact OG1-OE2 3.05Å; E326-Q328 PolarHBondContact O-N 3.46Å; E326-S329 PolarHBondContact O-N 2.9Å; E326-A330 WeakPolarHBondContact O-CB 3.41Å; E326-A330 PolarHBondContact O-N 2.95Å
327A94.4Very high94Very high0 Ų044.6 Ų44.60%025%0.248CC..Hα-helixtrans-62.5-40.5178.300000113.2L276 F321 Q324 I331 F351L276-A327 HydrophobicContact CD1-CB 4.42Å; L276-A327 HydrophobicContact CD2-CB 4.04Å; L276-A327 HydrophobicContact CG-CB 4.24Å; F321-A327 HydrophobicContact CB-CB 4.28Å; F321-A327 HydrophobicContact CD2-CB 3.85Å; F321-A327 HydrophobicContact CG-CB 4.42Å; Q324-A327 PolarHBondContact O-N 2.79Å; A327-I331 WeakPolarHBondContact O-CG1 3.46Å; A327-I331 PolarHBondContact O-N 2.89Å; A327-I331 VanDerWaalsContact O-N 3.11Å; A327-F351 HydrophobicContact CB-CE1 4.28Å
328Q95Very high93.7Very high84 Ų8448 Ų4839%0.39326%0.264SS..Hα-helixtrans-64.4-44.1173.5-75.3175.3-4.400111.7Q324 Q325 E326 A330 I331 L332 F351Q324-Q328 WeakPolarHBondContact O-CG 3.32Å; Q324-Q328 PolarHBondContact O-N 2.92Å; Q325-Q328 PolarHBondContact O-N 3.23Å; E326-Q328 PolarHBondContact O-N 3.46Å; Q328-A330 PolarHBondContact O-N 3.31Å; Q328-I331 PolarHBondContact O-N 3.28Å; Q328-L332 WeakPolarHBondContact O-CG 3.38Å; Q328-L332 PolarHBondContact O-N 3.13Å; Q328-F351 HydrophobicContact CG-CZ 3.78Å
329S95.6Very high93.4Very high55 Ų5550.1 Ų50.139%0.38528%0.28SS..Hα-helixtrans-61.7-45178.7-56.40000111.2Q325 E326 I331 L332 T333Q325-S329 WeakPolarHBondContact O-CB 3.19Å; Q325-S329 PolarHBondContact O-N 3.33Å; Q325-S329 PolarHBondContact O-OG 3.03Å; E326-S329 PolarHBondContact O-N 2.9Å; S329-I331 PolarHBondContact O-N 2.84Å; S329-L332 PolarHBondContact O-N 3.08Å; S329-T333 PolarHBondContact O-N 3.04Å; S329-T333 PolarHBondContact O-OG1 2.86Å
330A95.9Very high92.9Very high0 Ų051.5 Ų51.50%029%0.287CS..Hα-helixtrans-60.4-40.6174.600000112.7L276 F294 F297 F321 E326 Q328 L334L276-A330 HydrophobicContact CD1-CB 3.93Å; F294-A330 HydrophobicContact CD1-CB 4.02Å; F294-A330 HydrophobicContact CE1-CB 4.13Å; F297-A330 HydrophobicContact CB-CB 3.84Å; F297-A330 HydrophobicContact CD1-CB 4.45Å; F297-A330 HydrophobicContact CD2-CB 4.23Å; F297-A330 HydrophobicContact CG-CB 3.89Å; F321-A330 HydrophobicContact CE2-CB 3.69Å; F321-A330 HydrophobicContact CZ-CB 3.87Å; E326-A330 WeakPolarHBondContact O-CB 3.41Å; E326-A330 PolarHBondContact O-N 2.95Å; Q328-A330 PolarHBondContact O-N 3.31Å; A330-L334 VanDerWaalsContact O-CB 3.22Å; A330-L334 WeakPolarHBondContact O-CB 3.4Å; A330-L334 PolarHBondContact O-N 2.97Å
331I95.4Very high92.4Very high27 Ų2755.4 Ų55.414%0.13832%0.315CS..Hα-helixtrans-60.5-50.9172.6-69.1163.9000110.5L276 A327 Q328 S329 T333 H335 V349 F351L276-I331 HydrophobicContact CD1-CG1 4.31Å; L276-I331 HydrophobicContact CD2-CD1 3.56Å; L276-I331 HydrophobicContact CD2-CG1 3.71Å; A327-I331 WeakPolarHBondContact O-CG1 3.46Å; A327-I331 PolarHBondContact O-N 2.89Å; A327-I331 VanDerWaalsContact O-N 3.11Å; Q328-I331 PolarHBondContact O-N 3.28Å; S329-I331 PolarHBondContact O-N 2.84Å; I331-T333 VanDerWaalsContact C-N 3.34Å; I331-T333 PolarHBondContact O-N 3.23Å; I331-H335 HydrophobicContact CG2-CB 4.49Å; I331-H335 WeakPolarHBondContact O-CB 3.46Å; I331-H335 PolarHBondContact O-N 2.9Å; I331-V349 HydrophobicContact CG1-CG1 4.03Å; I331-F351 HydrophobicContact CD1-CD1 4.08Å; I331-F351 HydrophobicContact CD1-CD2 3.66Å; I331-F351 HydrophobicContact CD1-CE1 3.89Å; I331-F351 HydrophobicContact CD1-CE2 3.45Å; I331-F351 VanDerWaalsContact CD1-CE2 3.45Å; I331-F351 HydrophobicContact CD1-CG 3.97Å; I331-F351 HydrophobicContact CD1-CZ 3.57Å
332L95.2Very high91.9Very high146 Ų14659 Ų5976%0.76435%0.353SS*.Hα-helixtrans-63.5-36.7-173.1-71.6169.8000113Q328 S329Q328-L332 WeakPolarHBondContact O-CG 3.38Å; Q328-L332 PolarHBondContact O-N 3.13Å; S329-L332 PolarHBondContact O-N 3.08Å
333T94.9Very high91.5Very high84 Ų8458.3 Ų58.352%0.51535%0.349SS..Hα-helixtrans-92.5-34.5-178.6-52.90000113.7F297 S329 I331 S337F297-T333 VanDerWaalsContact CE1-CB 3.41Å; F297-T333 HydrophobicContact CE1-CG2 3.68Å; F297-T333 HydrophobicContact CZ-CG2 3.71Å; S329-T333 PolarHBondContact O-N 3.04Å; S329-T333 PolarHBondContact O-OG1 2.86Å; I331-T333 VanDerWaalsContact C-N 3.34Å; I331-T333 PolarHBondContact O-N 3.23Å; T333-S337 VanDerWaalsContact O-CB 3.26Å; T333-S337 WeakPolarHBondContact O-CB 3.45Å; T333-S337 PolarHBondContact O-OG 2.89Å
334L94.2Very high91.4Very high6 Ų661 Ų613%0.03137%0.37CS..Hα-helixtrans-91.9-26.9-177.2-63.7176.8000113.8L293 F294 F297 A330 G336 S337 I347 V349L293-L334 HydrophobicContact CD1-CD2 3.96Å; L293-L334 HydrophobicContact CG-CD1 4.23Å; L293-L334 HydrophobicContact CG-CD2 4.27Å; F294-L334 HydrophobicContact CD1-CD1 3.86Å; F294-L334 HydrophobicContact CD2-CD1 3.9Å; F294-L334 HydrophobicContact CE1-CD1 3.63Å; F294-L334 HydrophobicContact CE2-CD1 3.67Å; F294-L334 HydrophobicContact CG-CD1 4Å; F294-L334 HydrophobicContact CZ-CD1 3.53Å; F297-L334 HydrophobicContact CD2-CD1 4.04Å; F297-L334 HydrophobicContact CD2-CG 4.38Å; F297-L334 HydrophobicContact CE2-CD1 3.63Å; F297-L334 HydrophobicContact CE2-CD2 3.8Å; F297-L334 HydrophobicContact CE2-CG 3.6Å; F297-L334 HydrophobicContact CZ-CD1 4.38Å; F297-L334 HydrophobicContact CZ-CD2 3.97Å; F297-L334 HydrophobicContact CZ-CG 3.85Å; A330-L334 VanDerWaalsContact O-CB 3.22Å; A330-L334 WeakPolarHBondContact O-CB 3.4Å; A330-L334 PolarHBondContact O-N 2.97Å; L334-G336 PolarHBondContact O-N 2.8Å; L334-S337 PolarHBondContact O-N 2.77Å; L334-S337 PolarHBondContact O-OG 2.94Å; L334-S337 VanDerWaalsContact O-OG 3.12Å; L334-I347 WeakPolarHBondContact O-CG2 3.38Å; L334-V349 HydrophobicContact CB-CB 4.45Å; L334-V349 HydrophobicContact CB-CG2 3.73Å
335H94.2Very high91.4Very high81 Ų8160.7 Ų60.738%0.37538%0.375SS..THydrogen-bonded Turntrans-66.2108.8-174.1-171.45.9000111.9I331 S337 I347 V349 K350I331-H335 HydrophobicContact CG2-CB 4.49Å; I331-H335 WeakPolarHBondContact O-CB 3.46Å; I331-H335 PolarHBondContact O-N 2.9Å; H335-S337 VanDerWaalsContact C-N 3.33Å; H335-I347 PolarHBondContact ND1-O 3.46Å; H335-V349 HydrophobicContact CB-CB 4.17Å; H335-V349 WeakPolarHBondContact CB-O 3.48Å; H335-V349 PolarHBondContact CD2-O 2.86Å; H335-K350 WeakPolarHBondContact NE2-CE 3.49Å
336G93.2Very high91.4Very high34 Ų3458.2 Ų58.235%0.35137%0.368SS..THydrogen-bonded Turntrans84.6-3.3178.300000115.1L334 S346 I347L334-G336 PolarHBondContact O-N 2.8Å; G336-S346 WeakPolarHBondContact O-CB 3.24Å; G336-I347 PolarHBondContact N-O 3.09Å
337S91.8Very high91.4Very high71 Ų7156.6 Ų56.650%0.49736%0.361SS..THydrogen-bonded Turntrans-69.9-37.9-17164.40000114.2T333 L334 H335T333-S337 VanDerWaalsContact O-CB 3.26Å; T333-S337 WeakPolarHBondContact O-CB 3.45Å; T333-S337 PolarHBondContact O-OG 2.89Å; L334-S337 PolarHBondContact O-N 2.77Å; L334-S337 PolarHBondContact O-OG 2.94Å; L334-S337 VanDerWaalsContact O-OG 3.12Å; H335-S337 VanDerWaalsContact C-N 3.33Å
338Q88Confident91.4Very high72 Ų7258.3 Ų58.334%0.33637%0.371SS..  trans-135.3145.9-176.763.3-168.870.600112.9M340 S346 I347Q338-M340 HydrophobicContact CG-SD 4.27Å; Q338-M340 PolarHBondContact NE2-SD 3.05Å; Q338-S346 CarbonylContact O-C 3.57Å; Q338-S346 VanDerWaalsContact O-CA 3.28Å; Q338-S346 WeakPolarHBondContact O-CA 3.43Å; Q338-S346 WeakPolarHBondContact O-CB 3.04Å; Q338-I347 HydrophobicContact CG-CG2 4.04Å; Q338-I347 PolarHBondContact O-N 3.18Å
339T89.5Confident91.4Very high84 Ų8454.3 Ų54.352%0.51535%0.352SS..  trans-104119168.7-61.10000108.3S346T339-S346 WeakPolarHBondContact OG1-CA 3.43Å; T339-S346 PolarHBondContact OG1-N 3.12Å
340M83.8Confident91.4Very high29 Ų2956.8 Ų56.814%0.14336%0.356CS..  trans-72.9146.5-178-62.5-55.8-84.500111.4Q338 G342 A343Q338-M340 HydrophobicContact CG-SD 4.27Å; Q338-M340 PolarHBondContact NE2-SD 3.05Å; M340-G342 PolarHBondContact O-N 2.83Å; M340-G342 VanDerWaalsContact O-N 3.14Å; M340-A343 HydrophobicContact CB-CB 4.15Å; M340-A343 VanDerWaalsContact O-CB 3.29Å; M340-A343 WeakPolarHBondContact O-CB 3.43Å; M340-A343 PolarHBondContact O-N 2.93Å
341P84.6Confident91.3Very high110 Ų11060.9 Ų60.971%0.71437%0.374SS*.THydrogen-bonded Turntrans-54.7119.7174.8-27.235.8000112.1S282S282-P341 WeakPolarHBondContact CB-O 3.2Å; S282-P341 PolarHBondContact OG-O 2.9Å
342G83.5Confident91.1Very high76 Ų7660.4 Ų60.478%0.78437%0.374SS*.THydrogen-bonded Turntrans83.53.1-175.800000115.8M340M340-G342 PolarHBondContact O-N 2.83Å; M340-G342 VanDerWaalsContact O-N 3.14Å
343A84.2Confident90.6Very high21 Ų2157.3 Ų57.317%0.17436%0.358CS..  trans-83.2152.8163.200000111M280 M340M280-A343 VanDerWaalsContact O-CB 3.22Å; M280-A343 WeakPolarHBondContact O-CB 3.15Å; M340-A343 HydrophobicContact CB-CB 4.15Å; M340-A343 VanDerWaalsContact O-CB 3.29Å; M340-A343 WeakPolarHBondContact O-CB 3.43Å; M340-A343 PolarHBondContact O-N 2.93Å
344S86.3Confident89.5Confident108 Ų10855 Ų5576%0.75535%0.345SS*.SBendtrans-86.8-9.2179.7560000114.3
345S91.8Very high88.4Confident56 Ų5661.2 Ų61.239%0.39237%0.374SS..SBendtrans-162.3166.2-170.6-55.70000109.9
346S93.5Very high87Confident44 Ų4465.4 Ų65.431%0.30839%0.391SS..  trans-65.5153.3174.552.20000112.6M280 G336 Q338 T339 V348M280-S346 WeakPolarHBondContact CB-O 3.49Å; G336-S346 WeakPolarHBondContact O-CB 3.24Å; Q338-S346 CarbonylContact O-C 3.57Å; Q338-S346 VanDerWaalsContact O-CA 3.28Å; Q338-S346 WeakPolarHBondContact O-CA 3.43Å; Q338-S346 WeakPolarHBondContact O-CB 3.04Å; T339-S346 WeakPolarHBondContact OG1-CA 3.43Å; T339-S346 PolarHBondContact OG1-N 3.12Å; S346-V348 PolarHBondContact O-N 3.25Å
347I94.4Very high86.1Confident1 Ų167.1 Ų67.11%0.00539%0.39CS..  trans-60.8130.9-175.1-167.3177.2000111.3V278 L281 L293 F294 L334 H335 G336 Q338 V349V278-I347 HydrophobicContact CG1-CD1 3.71Å; V278-I347 HydrophobicContact CG1-CG1 3.9Å; L281-I347 HydrophobicContact CD2-CD1 3.75Å; L281-I347 HydrophobicContact CD2-CG1 4.17Å; L293-I347 HydrophobicContact CD2-CD1 3.64Å; F294-I347 HydrophobicContact CE2-CD1 4.38Å; L334-I347 WeakPolarHBondContact O-CG2 3.38Å; H335-I347 PolarHBondContact ND1-O 3.46Å; G336-I347 PolarHBondContact N-O 3.09Å; Q338-I347 HydrophobicContact CG-CG2 4.04Å; Q338-I347 PolarHBondContact O-N 3.18Å; I347-V349 HydrophobicContact CD1-CG2 4.25Å; I347-V349 HydrophobicContact CG1-CG2 4.07Å; I347-V349 HydrophobicContact CG2-CG2 4.46Å
348V95.3Very high85.1Confident35 Ų3568.7 Ų68.721%0.21239%0.385CS..EExtended strand (participates in β ladder)trans-102.4107.8-178.6177.10000108.4V278 G279 M280 S346 K350V278-V348 CarbonylContact C-O 3.57Å; V278-V348 WeakPolarHBondContact CA-O 3.23Å; G279-V348 PolarHBondContact N-O 3.21Å; G279-V348 PolarHBondContact O-N 2.96Å; M280-V348 HydrophobicContact CG-CG2 3.79Å; S346-V348 PolarHBondContact O-N 3.25Å; V348-K350 HydrophobicContact CG1-CD 4.21Å; V348-K350 HydrophobicContact CG1-CG 4.23Å
349V95.3Very high84.4Confident0 Ų070.7 Ų70.70%039%0.394CS..EExtended strand (participates in β ladder)trans-114.5118.4179.6-171.60000108.6L276 V278 F294 I331 L334 H335 I347L276-V349 HydrophobicContact CD1-CG1 3.85Å; V278-V349 HydrophobicContact CG1-CG2 4.48Å; F294-V349 HydrophobicContact CE1-CG1 3.76Å; F294-V349 HydrophobicContact CE1-CG2 4.43Å; F294-V349 HydrophobicContact CZ-CG1 3.91Å; F294-V349 HydrophobicContact CZ-CG2 3.78Å; I331-V349 HydrophobicContact CG1-CG1 4.03Å; L334-V349 HydrophobicContact CB-CB 4.45Å; L334-V349 HydrophobicContact CB-CG2 3.73Å; H335-V349 HydrophobicContact CB-CB 4.17Å; H335-V349 WeakPolarHBondContact CB-O 3.48Å; H335-V349 PolarHBondContact CD2-O 2.86Å; I347-V349 HydrophobicContact CD1-CG2 4.25Å; I347-V349 HydrophobicContact CG1-CG2 4.07Å; I347-V349 HydrophobicContact CG2-CG2 4.46Å
350K94.3Very high83.6Confident108 Ų10870.5 Ų70.547%0.4739%0.393SS..EExtended strand (participates in β ladder)trans-147163.9-177.6-63.7-171.2177.5-176.20109.6L276 F277 H335 V348L276-K350 CarbonylContact C-O 3.55Å; L276-K350 WeakPolarHBondContact CA-O 3.4Å; F277-K350 PolarHBondContact N-O 3.17Å; F277-K350 PolarHBondContact O-N 2.72Å; F277-K350 VanDerWaalsContact O-N 3.09Å; H335-K350 WeakPolarHBondContact NE2-CE 3.49Å; V348-K350 HydrophobicContact CG1-CD 4.21Å; V348-K350 HydrophobicContact CG1-CG 4.23Å
351F94Very high83.3Confident86 Ų8673.4 Ų73.438%0.37740%0.403SS..EExtended strand (participates in β ladder)trans-56.8143.9165.1-67.7-67.8000110.9E273 L276 A327 Q328 I331E273-F351 VanDerWaalsContact O-CE1 3.26Å; E273-F351 WeakPolarHBondContact O-CE1 3.28Å; L276-F351 HydrophobicContact CD2-CD1 3.85Å; L276-F351 HydrophobicContact CD2-CE1 4.08Å; A327-F351 HydrophobicContact CB-CE1 4.28Å; Q328-F351 HydrophobicContact CG-CZ 3.78Å; I331-F351 HydrophobicContact CD1-CD1 4.08Å; I331-F351 HydrophobicContact CD1-CD2 3.66Å; I331-F351 HydrophobicContact CD1-CE1 3.89Å; I331-F351 HydrophobicContact CD1-CE2 3.45Å; I331-F351 VanDerWaalsContact CD1-CE2 3.45Å; I331-F351 HydrophobicContact CD1-CG 3.97Å; I331-F351 HydrophobicContact CD1-CZ 3.57Å
352A91.4Very high83Confident16 Ų1673.3 Ų73.313%0.13239%0.391CS..PPolyproline II helixtrans-76.3141179.600000111.2K275 F277 F318 S354K275-A352 HydrophobicContact CB-CB 4.05Å; K275-A352 HydrophobicContact CG-CB 4.01Å; K275-A352 VanDerWaalsContact O-CB 3.31Å; K275-A352 WeakPolarHBondContact O-CB 3.39Å; K275-A352 PolarHBondContact O-N 3.31Å; F277-A352 HydrophobicContact CB-CB 4.46Å; F318-A352 HydrophobicContact CD1-CB 3.79Å; F318-A352 HydrophobicContact CE1-CB 3.68Å; A352-S354 PolarHBondContact O-N 2.76Å
353D85Confident82.5Confident82 Ų8273.7 Ų73.744%0.43937%0.374SS..PPolyproline II helixtrans-52.8120.2168.7-68.52.3000111.1E355 R361D353-E355 PolarHBondContact O-N 3.26Å; D353-R361 IonicContact OD1-NH2 3.13Å; D353-R361 PolarHBondContact OD1-NH2 3.17Å; D353-R361 VanDerWaalsContact OD1-NH2 3.08Å; D353-R361 IonicContact OD2-CZ 3.08Å; D353-R361 IonicContact OD2-NE 2.7Å; D353-R361 PolarHBondContact OD2-NE 2.79Å; D353-R361 IonicContact OD2-NH2 2.74Å; D353-R361 PolarHBondContact OD2-NH2 3.44Å
354S72.4Confident82Confident34 Ų3478.6 Ų78.624%0.23839%0.393CS..PPolyproline II helixtrans-48.2136.1167.1-53.50000110E272 A352 K356 E357 R358E272-S354 VanDerWaalsContact CD-CB 3.41Å; E272-S354 VanDerWaalsContact OE1-CB 3.28Å; E272-S354 WeakPolarHBondContact OE1-CB 3.17Å; E272-S354 VanDerWaalsContact OE2-CB 3.31Å; E272-S354 WeakPolarHBondContact OE2-CB 3.41Å; E272-S354 PolarHBondContact OE2-OG 2.77Å; A352-S354 PolarHBondContact O-N 2.76Å; S354-K356 PolarHBondContact O-N 3.21Å; S354-K356 VanDerWaalsContact O-N 3.11Å; S354-E357 WeakPolarHBondContact O-CA 3.48Å; S354-E357 WeakPolarHBondContact O-CB 3.47Å; S354-E357 PolarHBondContact O-N 3.13Å; S354-R358 PolarHBondContact O-N 3.48Å
355E70.9Confident81.1Confident138 Ų13880.2 Ų80.265%0.64539%0.389SS*.Hα-helixtrans-61.5-31-175.7179.8151.3-104.600112.1D353 E357 R358 H359D353-E355 PolarHBondContact O-N 3.26Å; E355-E357 VanDerWaalsContact C-N 3.34Å; E355-E357 PolarHBondContact O-N 2.81Å; E355-R358 PolarHBondContact O-N 3.15Å; E355-R358 IonicContact OE1-NH1 3.73Å; E355-H359 WeakPolarHBondContact O-CB 3.42Å; E355-H359 PolarHBondContact O-N 3.26Å
356K64.9Low79.7Confident169 Ų16984.3 Ų84.374%0.73541%0.406SS*.Hα-helixtrans-58.2-42.2169.6-176.7-174.3174.2-168.40112.7S354 T360S354-K356 PolarHBondContact O-N 3.21Å; S354-K356 VanDerWaalsContact O-N 3.11Å; K356-T360 WeakPolarHBondContact O-CB 3.33Å; K356-T360 PolarHBondContact O-N 3.19Å; K356-T360 PolarHBondContact O-OG1 3.39Å
357E72.6Confident78.1Confident70 Ų7087.4 Ų87.433%0.32742%0.418SS..Hα-helixtrans-71.8-41.4177.9-158-166.2-172.400110.9S354 E355 H359 T360 R361S354-E357 WeakPolarHBondContact O-CA 3.48Å; S354-E357 WeakPolarHBondContact O-CB 3.47Å; S354-E357 PolarHBondContact O-N 3.13Å; E355-E357 VanDerWaalsContact C-N 3.34Å; E355-E357 PolarHBondContact O-N 2.81Å; E357-H359 VanDerWaalsContact C-N 3.31Å; E357-H359 PolarHBondContact O-N 3.44Å; E357-T360 CarbonylContact O-C 3.44Å; E357-T360 WeakPolarHBondContact O-CB 3.07Å; E357-T360 PolarHBondContact O-N 3.43Å; E357-T360 VanDerWaalsContact O-N 3.17Å; E357-R361 VanDerWaalsContact CD-CZ 3.44Å; E357-R361 PolarHBondContact O-N 3.32Å; E357-R361 IonicContact OE1-CZ 2.77Å; E357-R361 IonicContact OE1-NH1 3.45Å; E357-R361 PolarHBondContact OE1-NH1 3.02Å; E357-R361 IonicContact OE1-NH2 3.51Å; E357-R361 IonicContact OE2-CZ 3.39Å; E357-R361 IonicContact OE2-NH1 2.63Å; E357-R361 PolarHBondContact OE2-NH1 2.94Å; E357-R361 IonicContact OE2-NH2 3.46Å; E357-R361 PolarHBondContact OE2-NH2 2.89Å
358R71.4Confident76.3Confident104 Ų10489.8 Ų89.839%0.39244%0.443SS..Hα-helixtrans-58.5-41172.5-171.4-175.2-176.7-1518.4112.1S354 E355 K362S354-R358 PolarHBondContact O-N 3.48Å; E355-R358 PolarHBondContact O-N 3.15Å; E355-R358 IonicContact OE1-NH1 3.73Å; R358-K362 WeakPolarHBondContact O-CG 3.35Å; R358-K362 PolarHBondContact O-N 3.39Å
359H72.8Confident74.3Confident113 Ų11393.3 Ų93.352%0.52347%0.466SS..Hα-helixtrans-69-40.8175.2-164.5103000111.6E355 E357 K362 I363E355-H359 WeakPolarHBondContact O-CB 3.42Å; E355-H359 PolarHBondContact O-N 3.26Å; E357-H359 VanDerWaalsContact C-N 3.31Å; E357-H359 PolarHBondContact O-N 3.44Å; H359-K362 WeakPolarHBondContact O-CB 3.43Å; H359-K362 PolarHBondContact O-N 2.94Å; H359-I363 PolarHBondContact O-N 3.4Å
360T74Confident72.1Confident81 Ų81100.7 Ų100.750%0.49750%0.502SS..Hα-helixtrans-61.9-43174.2-54.90000111.1K356 E357 I363 Q364K356-T360 WeakPolarHBondContact O-CB 3.33Å; K356-T360 PolarHBondContact O-N 3.19Å; K356-T360 PolarHBondContact O-OG1 3.39Å; E357-T360 CarbonylContact O-C 3.44Å; E357-T360 WeakPolarHBondContact O-CB 3.07Å; E357-T360 PolarHBondContact O-N 3.43Å; E357-T360 VanDerWaalsContact O-N 3.17Å; T360-I363 PolarHBondContact O-N 2.88Å; T360-Q364 VanDerWaalsContact O-CB 3.29Å; T360-Q364 WeakPolarHBondContact O-CB 3.44Å; T360-Q364 PolarHBondContact O-N 3.2Å
361R77.5Confident69.8Low90 Ų9099 Ų9934%0.3452%0.516SS..Hα-helixtrans-61.2-41.6172.6-81.4-162.3-100-74.41.8112.4D353 E357 Q364 Q365D353-R361 IonicContact OD1-NH2 3.13Å; D353-R361 PolarHBondContact OD1-NH2 3.17Å; D353-R361 VanDerWaalsContact OD1-NH2 3.08Å; D353-R361 IonicContact OD2-CZ 3.08Å; D353-R361 IonicContact OD2-NE 2.7Å; D353-R361 PolarHBondContact OD2-NE 2.79Å; D353-R361 IonicContact OD2-NH2 2.74Å; D353-R361 PolarHBondContact OD2-NH2 3.44Å; E357-R361 VanDerWaalsContact CD-CZ 3.44Å; E357-R361 PolarHBondContact O-N 3.32Å; E357-R361 IonicContact OE1-CZ 2.77Å; E357-R361 IonicContact OE1-NH1 3.45Å; E357-R361 PolarHBondContact OE1-NH1 3.02Å; E357-R361 IonicContact OE1-NH2 3.51Å; E357-R361 IonicContact OE2-CZ 3.39Å; E357-R361 IonicContact OE2-NH1 2.63Å; E357-R361 PolarHBondContact OE2-NH1 2.94Å; E357-R361 IonicContact OE2-NH2 3.46Å; E357-R361 PolarHBondContact OE2-NH2 2.89Å; R361-Q364 PolarHBondContact O-N 2.76Å; R361-Q365 WeakPolarHBondContact O-CB 3.43Å; R361-Q365 VanDerWaalsContact O-CG 3.29Å; R361-Q365 WeakPolarHBondContact O-CG 3.26Å; R361-Q365 PolarHBondContact O-N 2.99Å
362K76.9Confident67.6Low108 Ų108101.1 Ų101.147%0.4753%0.531SS..Hα-helixtrans-60.7-46.6174.7-76.2174.8177.2-178.30112.2R358 H359 Q365 L366R358-K362 WeakPolarHBondContact O-CG 3.35Å; R358-K362 PolarHBondContact O-N 3.39Å; H359-K362 WeakPolarHBondContact O-CB 3.43Å; H359-K362 PolarHBondContact O-N 2.94Å; K362-Q365 PolarHBondContact O-N 3.34Å; K362-L366 WeakPolarHBondContact O-CG 3.4Å; K362-L366 PolarHBondContact O-N 3.29Å
363I74.7Confident65.3Low83 Ų83108.9 Ų108.943%0.42656%0.562SS.*Hα-helixtrans-62.5-44.9175.3-68.8176.4000110.4H359 T360 Q365 L366 I367H359-I363 PolarHBondContact O-N 3.4Å; T360-I363 PolarHBondContact O-N 2.88Å; I363-Q365 VanDerWaalsContact C-N 3.28Å; I363-Q365 PolarHBondContact O-N 3.28Å; I363-L366 PolarHBondContact O-N 3.12Å; I363-L366 VanDerWaalsContact O-N 3.14Å; I363-I367 HydrophobicContact CG2-CD1 3.77Å; I363-I367 WeakPolarHBondContact O-CG1 3.13Å; I363-I367 PolarHBondContact O-N 2.93Å
364Q73.3Confident63.2Low124 Ų124109.2 Ų109.258%0.57957%0.57SS**Hα-helixtrans-63.9-32179.5-173.159.38700112.7T360 R361 G368T360-Q364 VanDerWaalsContact O-CB 3.29Å; T360-Q364 WeakPolarHBondContact O-CB 3.44Å; T360-Q364 PolarHBondContact O-N 3.2Å; R361-Q364 PolarHBondContact O-N 2.76Å; Q364-G368 WeakPolarHBondContact O-CA 3.46Å; Q364-G368 PolarHBondContact O-N 3.27Å
365Q67.2Low61.8Low143 Ų143113.9 Ų113.967%0.66860%0.6SS**Hα-helixtrans-75.1-33.9173.4-75.6173.8-12.500112.7R361 K362 I363 I367 G368R361-Q365 WeakPolarHBondContact O-CB 3.43Å; R361-Q365 VanDerWaalsContact O-CG 3.29Å; R361-Q365 WeakPolarHBondContact O-CG 3.26Å; R361-Q365 PolarHBondContact O-N 2.99Å; K362-Q365 PolarHBondContact O-N 3.34Å; I363-Q365 VanDerWaalsContact C-N 3.28Å; I363-Q365 PolarHBondContact O-N 3.28Å; Q365-I367 VanDerWaalsContact C-N 3.35Å; Q365-G368 PolarHBondContact O-N 2.99Å; Q365-G368 VanDerWaalsContact O-N 3.15Å
366L61.4Low60.6Low142 Ų142113 Ų11374%0.74360%0.604SS**Hα-helixtrans-69.2-31.3172.4-74.4166.3000112.8K362 I363 G368 P369K362-L366 WeakPolarHBondContact O-CG 3.4Å; K362-L366 PolarHBondContact O-N 3.29Å; I363-L366 PolarHBondContact O-N 3.12Å; I363-L366 VanDerWaalsContact O-N 3.14Å; L366-G368 VanDerWaalsContact C-N 3.32Å; L366-P369 WeakPolarHBondContact O-CD 3.25Å
367I60.6Low59.8Low109 Ų109112.9 Ų112.956%0.55961%0.61SS**Hα-helixtrans-79.9-18.6170.4-63.2169.1000111.3I363 Q365 P369I363-I367 HydrophobicContact CG2-CD1 3.77Å; I363-I367 WeakPolarHBondContact O-CG1 3.13Å; I363-I367 PolarHBondContact O-N 2.93Å; Q365-I367 VanDerWaalsContact C-N 3.35Å; I367-P369 WeakPolarHBondContact O-CD 3.48Å
368G57.5Low58.3Low51 Ų51112.8 Ų112.853%0.52662%0.621SS.*THydrogen-bonded Turntrans-61-22.7-173.900000119.5Q364 Q365 L366Q364-G368 WeakPolarHBondContact O-CA 3.46Å; Q364-G368 PolarHBondContact O-N 3.27Å; Q365-G368 PolarHBondContact O-N 2.99Å; Q365-G368 VanDerWaalsContact O-N 3.15Å; L366-G368 VanDerWaalsContact C-N 3.32Å
369P52.6Low56.7Low108 Ų108113.7 Ų113.770%0.70163%0.633SS**THydrogen-bonded Turntrans-83.9-4.6-178.432.1-33.6000114.5L366 I367L366-P369 WeakPolarHBondContact O-CD 3.25Å; I367-P369 WeakPolarHBondContact O-CD 3.48Å
370M49.2Very low55.3Low155 Ų155114.3 Ų114.376%0.76465%0.65SS**  trans-99.976.3176-81.2-65.6-67.600111.6L372M370-L372 PolarHBondContact O-N 2.86Å
371G45.3Very low53.6Low74 Ų74119.4 Ų119.476%0.76367%0.668SS**  trans-7784.6-176.300000114.8
372L47.4Very low51.8Low129 Ų129120.8 Ų120.868%0.67568%0.682SS**  trans-126.2106.6166.6-90.293.1000113.2M370M370-L372 PolarHBondContact O-N 2.86Å
373F44.5Very low50Low179 Ų179123 Ų12379%0.78570%0.699SS**  trans59.8108.8149.4-60.2-80.4000122.3
374S39.4Very low48.3Very low89 Ų89122 Ų12262%0.62271%0.709SS**  54.6110126.8-55.80000120.6T376S374-T376 VanDerWaalsContact C-N 3.25Å; S374-T376 PolarHBondContact O-N 3.26Å
375P42.6Very low46.7Very low132 Ų132122.2 Ų122.286%0.85771%0.714SS**THydrogen-bonded Turntrans-80.947.8-175.237.3-39.4000114.1
376T46.1Very low45.3Very low120 Ų120122.5 Ų122.574%0.73672%0.718SS**THydrogen-bonded Turntrans-142.9-23.8-172.1-57.80000115.8S374S374-T376 VanDerWaalsContact C-N 3.25Å; S374-T376 PolarHBondContact O-N 3.26Å
377I49.1Very low44.2Very low166 Ų166124.1 Ų124.185%0.85172%0.715SS**SBendtrans-118.76.6-175.2-60.3-174.8000113.4
378A40.3Very low43.4Very low69 Ų69121.8 Ų121.857%0.5771%0.708SS**SBendtrans-133.3120.9157.100000107.4
379L38.1Very low42.7Very low122 Ų122125.5 Ų125.564%0.63971%0.712SS**SBend-13516.769.7-148.777.9000115.7Q381 L382L379-Q381 PolarHBondContact O-N 3.45Å; L379-L382 HydrophobicContact CD1-CB 3.61Å; L379-L382 HydrophobicContact CD1-CD1 4.02Å; L379-L382 HydrophobicContact CD1-CG 4.43Å; L379-L382 HydrophobicContact CG-CB 3.82Å; L379-L382 PolarHBondContact O-N 3.25Å; L379-L382 VanDerWaalsContact O-N 3.1Å
380S42.5Very low42.2Very low127 Ų127126.4 Ų126.489%0.88871%0.708SS**THydrogen-bonded Turntrans-62.4-2.9-179.1-54.10000115.5
381Q39.2Very low42.4Very low187 Ų187124.6 Ų124.687%0.87470%0.701SS**THydrogen-bonded Turntrans-133.415.8172.2-70.8-152.6-62.600115L379L379-Q381 PolarHBondContact O-N 3.45Å
382L39.7Very low42.2Very low120 Ų120127 Ų12763%0.62869%0.692SS**  trans-112.155.6170.3-78.7175000111.7L379L379-L382 HydrophobicContact CD1-CB 3.61Å; L379-L382 HydrophobicContact CD1-CD1 4.02Å; L379-L382 HydrophobicContact CD1-CG 4.43Å; L379-L382 HydrophobicContact CG-CB 3.82Å; L379-L382 PolarHBondContact O-N 3.25Å; L379-L382 VanDerWaalsContact O-N 3.1Å
383N39.9Very low42.1Very low153 Ų153126.8 Ų126.882%0.81869%0.692SS**  trans-81146.1160.4-119-0.7000110N385N383-N385 PolarHBondContact O-N 3.45Å
384G38.7Very low41.9Very low62 Ų62126.1 Ų126.164%0.63969%0.693SS**SBendtrans75.5-61.3156.700000119.4M386G384-M386 PolarHBondContact O-N 2.86Å
385N40.3Very low42.1Very low130 Ų130125.9 Ų125.970%0.69570%0.697SS**Hα-helixtrans-91.3-9.5-135.2-70.811.1000118.6N383N383-N385 PolarHBondContact O-N 3.45Å
386M35.8Very low42Very low149 Ų149127.6 Ų127.673%0.73469%0.693SS**Hα-helixtrans-92.6-18.8-175.5-84.5-90.367.400116.2G384 Q389G384-M386 PolarHBondContact O-N 2.86Å; M386-Q389 HydrophobicContact CE-CB 4.47Å
387Y39.6Very low41.7Very low176 Ų176127 Ų12769%0.6969%0.69SS**Hα-helixtrans-87.7-22.6170.6-112.7-89.7000113.2Q389 M390Y387-Q389 PolarHBondContact O-N 2.99Å; Y387-M390 HydrophobicContact CD1-CG 4.47Å; Y387-M390 HydrophobicContact CD1-SD 4.23Å; Y387-M390 HydrophobicContact CE1-SD 3.93Å
388S44.2Very low41.3Very low60 Ų60125 Ų12542%0.4269%0.685SS.*Hα-helixtrans-63.3-43.1179.3-157.20000112.1M390 I391 E392S388-M390 VanDerWaalsContact C-N 3.29Å; S388-M390 PolarHBondContact O-N 2.9Å; S388-I391 PolarHBondContact O-N 3.27Å; S388-I391 VanDerWaalsContact O-N 3.09Å; S388-E392 PolarHBondContact O-N 2.67Å
389Q42.5Very low40.9Very low128 Ų128124.6 Ų124.660%0.59869%0.688SS**Hα-helixtrans-64.4-26.1-175.1-73.5-83.4-7200114.2M386 Y387M386-Q389 HydrophobicContact CE-CB 4.47Å; Y387-Q389 PolarHBondContact O-N 2.99Å
390M42.4Very low40.8Very low127 Ų127129 Ų12963%0.62670%0.697SS**Hα-helixtrans-87.9-19.9174.486.2179-59.200113.7Y387 S388Y387-M390 HydrophobicContact CD1-CG 4.47Å; Y387-M390 HydrophobicContact CD1-SD 4.23Å; Y387-M390 HydrophobicContact CE1-SD 3.93Å; S388-M390 VanDerWaalsContact C-N 3.29Å; S388-M390 PolarHBondContact O-N 2.9Å
391I52.2Low40.7Very low118 Ų118129.9 Ų129.961%0.60569%0.691SS**Hα-helixtrans-79.9-35.8174.6-69.3176.2000110.4S388 N393 M394S388-I391 PolarHBondContact O-N 3.27Å; S388-I391 VanDerWaalsContact O-N 3.09Å; I391-N393 PolarHBondContact O-N 2.95Å; I391-M394 PolarHBondContact O-N 2.68Å
392E42.6Very low40.9Very low124 Ų124126.9 Ų126.958%0.57968%0.681SS**THydrogen-bonded Turntrans-67.6-19.8179.7-146160.9144.700113.5S388S388-E392 PolarHBondContact O-N 2.67Å
393N44Very low41.2Very low125 Ų125126.1 Ų126.167%0.66868%0.683SS**THydrogen-bonded Turntrans-88.1-3.8176-116.8-94.2000114.8I391I391-N393 PolarHBondContact O-N 2.95Å
394M41.2Very low41.6Very low164 Ų164124.3 Ų124.381%0.80868%0.677SS**THydrogen-bonded Turntrans-103.4-3.9173.8-150.9168.7-16700113.4I391 Q396I391-M394 PolarHBondContact O-N 2.68Å; M394-Q396 VanDerWaalsContact C-N 3.25Å; M394-Q396 PolarHBondContact O-N 3.36Å
395A43.3Very low42.2Very low85 Ų85125 Ų12570%0.70268%0.677SS**  trans-78.93.5179.300000114.8
396Q41Very low42.6Very low167 Ų167122.8 Ų122.878%0.7868%0.676SS**SBendtrans-94.818-171.8-62.2-165.11.900115.2M394M394-Q396 VanDerWaalsContact C-N 3.25Å; M394-Q396 PolarHBondContact O-N 3.36Å
397T39.6Very low43.3Very low109 Ų109121.6 Ų121.667%0.66967%0.673SS**SBendtrans-142.7131.2175.6-176.30000111.8
398T39.3Very low43.9Very low123 Ų123116.4 Ų116.476%0.75567%0.666SS**  trans42.9104178.2-1780000116
399G33.8Very low44.2Very low61 Ų61120.8 Ų120.863%0.62968%0.684SS**  71.3116.873.300000110.2
400Y36Very low44.7Very low213 Ų213122.4 Ų122.484%0.83569%0.691SS**  cis-142.8149.934.2-85.9-112.7000113.3
401I40.2Very low45.1Very low146 Ų146123 Ų12375%0.74970%0.696SS**  trans36.9115.3145.5-48172.9000116.8
402N42.5Very low45.1Very low124 Ų124125.1 Ų125.166%0.66370%0.703SS**  -150.9116.252.6-177.3-5.8000112.4V404N402-V404 PolarHBondContact OD1-N 3.38Å
403P46.6Very low45.1Very low105 Ų105128.3 Ų128.368%0.68272%0.718SS**  trans-89.6-8-172.234.6-36.2000116A405 A406P403-A405 VanDerWaalsContact C-N 3.35Å; P403-A405 PolarHBondContact O-N 3.43Å; P403-A406 PolarHBondContact O-N 3.45Å
404V48Very low44.8Very low115 Ų115127 Ų12770%0.69773%0.725SS**THydrogen-bonded Turntrans-71.6-23-160.5850000115.1N402N402-V404 PolarHBondContact OD1-N 3.38Å
405A52.1Low44.9Very low77 Ų77124.4 Ų124.464%0.63672%0.723SS**THydrogen-bonded Turntrans-82.6-30.3-178.900000113.7P403 L407 A408P403-A405 VanDerWaalsContact C-N 3.35Å; P403-A405 PolarHBondContact O-N 3.43Å; A405-L407 VanDerWaalsContact C-N 3.35Å; A405-L407 PolarHBondContact O-N 3.33Å; A405-A408 PolarHBondContact O-N 2.95Å
406A48.5Very low44.9Very low82 Ų82129 Ų12968%0.67873%0.73SS**G310 helixtrans-69.8-31.7-174.800000112.8P403 A408P403-A406 PolarHBondContact O-N 3.45Å; A406-A408 VanDerWaalsContact C-N 3.28Å; A406-A408 PolarHBondContact O-N 3.42Å
407L49.4Very low44.8Very low125 Ų125128.6 Ų128.665%0.65473%0.732SS**G310 helixtrans-69.9-23.6-179.1-171.759.5000113.2A405A405-L407 VanDerWaalsContact C-N 3.35Å; A405-L407 PolarHBondContact O-N 3.33Å
408A52.3Low44.9Very low66 Ų66127.6 Ų127.655%0.54574%0.735SS.*G310 helixtrans-71-31.2-175.400000113.8A405 A406A405-A408 PolarHBondContact O-N 2.95Å; A406-A408 VanDerWaalsContact C-N 3.28Å; A406-A408 PolarHBondContact O-N 3.42Å
409L51.7Low44.8Very low153 Ų153127.8 Ų127.880%0.80174%0.736SS**G310 helixtrans-87.5-11.6-178.7-76.8169.6000114L411L409-L411 PolarHBondContact O-N 2.9Å
410Q52Low45.1Very low161 Ų161131.6 Ų131.675%0.75275%0.746SS**G310 helixtrans-78.9-4179.2-167.862.30.700113.2
411L50.9Low45.2Very low139 Ų139128 Ų12873%0.72874%0.742SS**G310 helixtrans-112.97-162.8-100165.7000116.7L409L409-L411 PolarHBondContact O-N 2.9Å
412Q51.1Low45.3Very low163 Ų163128 Ų12876%0.76274%0.742SS**SBendtrans-1210-177.5-77.9-170.9-83.600116.7
413H44.6Very low45.6Very low191 Ų191126.8 Ų126.888%0.88474%0.741SS**SBendtrans-122.535.3-171-93.1-116.5000114.8
414A35.9Very low45.3Very low99 Ų99128.3 Ų128.382%0.81875%0.749SS**  trans-149.951.9-178.300000115.5
415S44Very low44.8Very low108 Ų108129.9 Ų129.976%0.75575%0.754SS**  trans-155.492.8175.160.70000114.8
416Q43.3Very low44.3Very low182 Ų182131.8 Ų131.885%0.8576%0.757SS**  trans-170.699142.2-67.8-145.746.300105.8
417L39.3Very low44Very low159 Ų159133.2 Ų133.283%0.83276%0.758SS**  55.1102.6101.6-64.8171.7000112.9
418A41.4Very low43.4Very low87 Ų87134.2 Ų134.272%0.71976%0.763SS**  74.9136.288.500000112.2
419T36.6Very low42.6Very low127 Ų127139 Ų13978%0.77978%0.779SS**  cis-155.6155.432.551.30000112.3
420V39.8Very low41.9Very low141 Ų141135.8 Ų135.886%0.85577%0.774SS**  trans-167.6114.9132.4165.40000111.1
421N40Very low41.2Very low139 Ų139135.8 Ų135.874%0.74378%0.776SS**  trans34.6100.7141.2-141.737.4000124.2
422L42.2Very low40.7Very low144 Ų144135.9 Ų135.975%0.75478%0.776SS**  28158.6110.2-96.659.4000122
423P47.6Very low40Very low99 Ų99133.2 Ų133.264%0.64378%0.775SS**  cis-147.9-152.5-47.740.7-18.2000114.3
424T40.2Very low39.4Very low137 Ų137128.2 Ų128.284%0.8477%0.767SS**  trans80.6141.5175.274.50000115
425N38Very low39.4Very low149 Ų149130.9 Ų130.980%0.79777%0.767SS**  cis-126.6169.221.6-1635.6000114.1
426V42.4Very low38.8Very low117 Ų117130.8 Ų130.871%0.70976%0.762SS**  trans-84.5172.1178.5-71.90000111.9
427T42.1Very low38.5Very low112 Ų112130 Ų13069%0.68776%0.763SS**  cis-163.6176.336-33.10000111.5
428N36.6Very low38.4Very low145 Ų145125.5 Ų125.578%0.77576%0.756SS**  trans72100.1173.3-51.8-6.5000114.6
429L35.9Very low38.4Very low168 Ų168127.1 Ų127.188%0.8876%0.762SS**  cis77.7129.111-160.470.9000118
430A35.5Very low38.5Very low84 Ų84126.4 Ų126.469%0.69476%0.762SS**  trans70.9146.9171.300000116.1
431M38.7Very low38.4Very low161 Ų161123.2 Ų123.279%0.79376%0.758SS**  cis-133.1146.810.7-92-156.5-174.100110.7
432I39.7Very low38.2Very low142 Ų142125 Ų12573%0.72876%0.761SS**  59.212676.5-65.8172.1000111.7
433S35.7Very low37.8Very low106 Ų106126 Ų12674%0.74177%0.766SS**  cis-161.2167.6-5.5-107.60000113
434A32.5Very low37Very low86 Ų86124.4 Ų124.471%0.71177%0.768SS**  trans-54.5166155.100000114.7
435L35.7Very low36.6Very low155 Ų155124.5 Ų124.581%0.81277%0.773SS**  trans158.2104.2155.2-85.5159.6000106.8
436T31.3Very low36.6Very low106 Ų106121.4 Ų121.465%0.6577%0.768SS**  84.31537358.70000115.9
437N37.8Very low36.6Very low165 Ų165121.7 Ų121.788%0.88277%0.772SS**  trans81.7136.8173.8-53.4-14.3000116.3
438G37.7Very low36.4Very low66 Ų66123.6 Ų123.668%0.6878%0.777SS**  cis158.7157.2-13.300000115.2
439S40.2Very low36.4Very low121 Ų121122.9 Ų122.985%0.84677%0.773SS**  trans67.3161.7156.6-62.60000118.9
440S39Very low36.4Very low112 Ų112122.6 Ų122.678%0.78377%0.767SS**  cis-168.9149.4-28.9-900000109.3
441G37.5Very low36.5Very low74 Ų74123.5 Ų123.576%0.76377%0.768SS**  trans86.5131.4172.200000113.8
442H35.5Very low36.6Very low176 Ų176121.8 Ų121.882%0.81577%0.769SS**  cis78.693.336.7-171.5-73.2000114.9
443L33.3Very low36.3Very low165 Ų165125.7 Ų125.786%0.86477%0.774SS**  -169.7169128.6-100.8170.5000108.3
444G32.2Very low36.3Very low66 Ų66125.6 Ų125.668%0.6877%0.774SS**  trans-154.2-175.4179.500000114.2
445C30.5Very low36.5Very low138 Ų138124.6 Ų124.693%0.93277%0.772SS**  trans83.7157.4179.7-153.50000117.2
446A38.6Very low36.7Very low85 Ų85123.9 Ų123.970%0.70277%0.774SS**  trans69116.6172.800000119.2
447P41.8Very low36.8Very low122 Ų122123.2 Ų123.279%0.79278%0.779SS**  trans-96.8131162.934.9-28.3000111.9
448L38.4Very low36.6Very low152 Ų152122.3 Ų122.380%0.79678%0.775SS**  trans-148.6127.3170.7-83.4-173.7000114
449L38Very low36.6Very low131 Ų131126.3 Ų126.369%0.68678%0.779SS**  trans69.7109.1143.5-52.4169.9000121.6
450H34.4Very low36.1Very low162 Ų162125.7 Ų125.775%0.7578%0.775SS**  62.5115.1129.7-61.9101.3000123.6
451S38.8Very low36.2Very low103 Ų103125.7 Ų125.772%0.7277%0.772SS**  28.9135.6122.3-49.20000121.2
452P40.1Very low36Very low124 Ų124129 Ų12981%0.80577%0.773SS**  -115.515984.635.4-35.6000112.3
453R33.4Very low35.5Very low224 Ų224124.5 Ų124.585%0.84576%0.76SS**  cis86.8110.425.8-160.9-145.1147.4124-6115.3
454S35.8Very low35.6Very low104 Ų104124.6 Ų124.673%0.72776%0.756SS**  trans77.5143.2163.81.70000119.1
455G37.6Very low35.6Very low65 Ų65127.7 Ų127.767%0.6776%0.761SS**  trans134134.1154.800000116.1
456T38.7Very low35.8Very low140 Ų140128.7 Ų128.786%0.85976%0.758SS**  trans42.7110.2160.256.50000117.9
457A34.5Very low36Very low93 Ų93130.4 Ų130.477%0.76976%0.762SS**  cis72.2131.823.200000117
458N33.6Very low35.6Very low146 Ų146133.4 Ų133.478%0.78177%0.767SS**  trans80.1114.5167.5-81-3.8000122.6
459L37.4Very low35.6Very low149 Ų149130.8 Ų130.878%0.7877%0.768SS**  75.1118.2129.3-59.9168.6000121.3
460S30.1Very low35.4Very low109 Ų109129 Ų12976%0.76277%0.772SS**  7.7152122.8-103.90000119.4
461P40.7Very low35.5Very low111 Ų111126.2 Ų126.272%0.72178%0.777SS**  cis-150.1169.536.944.4-25.7000119.2
462N32.8Very low35.3Very low144 Ų144125.7 Ų125.777%0.7778%0.779SS**  trans65.1165.5142.2-156.421.2000121.5
463C26.1Very low35.1Very low81 Ų81124.6 Ų124.655%0.54778%0.78SS.*  trans55.1108.8150.157.50000122.9
464H34Very low35.3Very low168 Ų168118.4 Ų118.478%0.77878%0.777SS**  74.7133.8121.9-66.1117.1000123.6
465T32.8Very low35.3Very low130 Ų130118.4 Ų118.480%0.79878%0.783SS**  trans78.7147.7140.147.60000122.6
466N33.4Very low35.1Very low159 Ų159119.3 Ų119.385%0.8578%0.784SS**  trans-92.9160.6-176.9-48.6-19.6000112.9
467P43.6Very low34.9Very low121 Ų121118.8 Ų118.879%0.78678%0.781SS**  trans-110.4141.3134.534.7-27000110
468M34.5Very low34.9Very low185 Ų185121.4 Ų121.491%0.91178%0.781SS**  cis85.113930.3-167.9174.9-80.900115
469A36.5Very low34.9Very low98 Ų98117.7 Ų117.781%0.8178%0.777SS**  trans79140.3175.300000116.8
470A35.2Very low34.8Very low94 Ų94119 Ų11978%0.77778%0.781SS**  cis-163168.9-10.900000112.4
471A35.7Very low34.9Very low102 Ų102120 Ų12084%0.84379%0.788SS**  trans68.7144.4160.100000119.1
472A35.7Very low34.6Very low93 Ų93118 Ų11877%0.76979%0.787SS**  cis-163.4166.3-14.600000112.9
473A35.9Very low34.8Very low101 Ų101116.7 Ų116.784%0.83579%0.79SS**  trans76.1134.7157.900000119.6
474A36.2Very low35.1Very low93 Ų93120.5 Ų120.577%0.76981%0.805SS**  cis-161.2151.9-12.600000113.3
475A35.8Very low35.4Very low105 Ų105117.9 Ų117.987%0.86880%0.803SS**  trans62.4142.3158.300000118.9
476A34.3Very low35.4Very low83 Ų83120 Ų12069%0.68680%0.803SS**  cis-146.5142.10.800000110.3
477V33.2Very low35.3Very low130 Ų130118.6 Ų118.679%0.78880%0.795SS**  64.1117.8106.1173.10000113.7
478L35.3Very low35Very low148 Ų148118.4 Ų118.478%0.77579%0.792SS**  cis-147.5164.7-3.1-88.8158000106.2M480L478-M480 HydrophobicContact CD2-SD 4.45Å
479G33.4Very low35Very low67 Ų67117 Ų11769%0.69178%0.783SS**  cis105.8137.432.100000109.5
480M36.3Very low35.1Very low177 Ų177119.1 Ų119.187%0.87278%0.78SS**  cis-156167.24.6-89.2146.359.700110.4L478L478-M480 HydrophobicContact CD2-SD 4.45Å
481S31Very low35.4Very low129 Ų129119.5 Ų119.590%0.90278%0.777SS**  trans-105.6161.2170.2-50.90000111.2
482G35Very low36Very low69 Ų69119.3 Ų119.371%0.71177%0.766SS**  trans121.899.6150.900000118.6
483S36.4Very low36.1Very low117 Ų117122.8 Ų122.882%0.81877%0.767SS**  40.5117.3127.7-51.10000123
484N32Very low36.3Very low161 Ų161125.6 Ų125.686%0.86177%0.765SS**  trans74.7154.3141.5-83.1-6.1000120.8
485P40.8Very low36.4Very low114 Ų114125.6 Ų125.674%0.7477%0.765SS**  trans-132.1159-138.841-25.3000116.7
486Q32.4Very low36.5Very low173 Ų173124.9 Ų124.981%0.80876%0.759SS**  trans-156.1155.3151.6-129.3-176.2-84.600112.1
487L32.3Very low36.5Very low131 Ų131128.9 Ų128.969%0.68677%0.767SS**  trans63.6106.5160-73.3156.8000119.7
488T36.4Very low36.5Very low116 Ų116128 Ų12871%0.71277%0.768SS**  trans60.8143.8132.755.30000120.5
489Q34.4Very low36.6Very low156 Ų156128.7 Ų128.773%0.72977%0.772SS**  cis-163.4152.62.7-129.7-177.5-4600109.6
490I38.6Very low36.9Very low143 Ų143131.1 Ų131.173%0.73377%0.773SS**  trans67142.8156-60163.3000116.5
491S42.6Very low36.8Very low102 Ų102129.3 Ų129.371%0.71377%0.767SS**  cis172.1171.4-35.6-91.70000107.9
492P47.8Very low37.1Very low97 Ų97127.6 Ų127.663%0.6376%0.755SS**  -138.1-165.3-54.441.4-23000113.4
493Q39.1Very low37.2Very low166 Ų166131 Ų13178%0.77676%0.762SS**  trans72.8142.3161-67161.6-36.100117.9
494M39.1Very low36.8Very low161 Ų161130.9 Ų130.979%0.79376%0.76SS**  cis-143.5140.2-5.2-110.3-178.8-72.800108.3
495A39.1Very low36.9Very low93 Ų93130 Ų13077%0.76976%0.76SS**  55.4135.48800000115.1
496A37Very low36.7Very low89 Ų89130.6 Ų130.674%0.73677%0.767SS**  cis-157.9-162.9-8.300000107.5
497L34.6Very low36.8Very low167 Ų167125.6 Ų125.687%0.87476%0.762SS**  cis-151.8-168.621.3-85.6172.8000110
498S31.9Very low37Very low113 Ų113127.8 Ų127.879%0.7977%0.768SS**  trans-149.6143.2164.4-620000112.2
499N38.5Very low37.1Very low162 Ų162128.8 Ų128.887%0.86678%0.775SS**  trans175.2160.8174.5-102.3-33.1000108.4
500V38.7Very low37.2Very low118 Ų118124.9 Ų124.972%0.71578%0.776SS**  cis-141.6149.8-9.8-99.30000105.9
501N35.5Very low37.4Very low138 Ų138123.1 Ų123.174%0.73878%0.777SS**  70.9141.163.4-161.943000117.3
502S37Very low37.2Very low94 Ų94125.7 Ų125.766%0.65778%0.782SS**  trans82.4119.6-176.1-28.90000114.2
503T37.1Very low36.9Very low140 Ų140128.6 Ų128.686%0.85979%0.792SS**  cis90.9145.835.270.40000115.7
504C27.5Very low36.9Very low114 Ų114125.4 Ų125.477%0.7779%0.786SS**  trans-94.3165-159.754.10000115.9
505V35.3Very low37Very low144 Ų144124.3 Ų124.387%0.87379%0.789SS**  -170.1165.2119-91.10000113.5
506S35.2Very low37Very low125 Ų125126.2 Ų126.287%0.87479%0.786SS**  trans-62.3165.3-168.3-41.30000121.5
507G34.9Very low37.1Very low68 Ų68129.1 Ų129.170%0.70179%0.789SS**  trans113.6153150.800000116.8
508E37.1Very low37.3Very low177 Ų177124.1 Ų124.183%0.82778%0.778SS**  cis-167151.5-13-124.1178.6149.400112.3
509T37.1Very low37.7Very low138 Ų138126.5 Ų126.585%0.84778%0.782SS**  trans63.2135.8156.257.50000125.2
510G37.7Very low37.7Very low73 Ų73123.7 Ų123.775%0.75378%0.775SS**  trans111.7137.4147.600000118
511S41.6Very low37.7Very low107 Ų107125 Ų12575%0.74878%0.783SS**  cis-160.7138.5-8.9-80.90000113.2
512N39.2Very low37.7Very low155 Ų155123 Ų12383%0.82979%0.785SS**  trans49.7116.2145.1-51.2-16.3000122.9
513N40.8Very low37.4Very low158 Ų158123.2 Ų123.285%0.84579%0.793SS**  176.4127103.5-169.131.7000113.4
514P40.9Very low37.2Very low99 Ų99121 Ų12164%0.64379%0.79SS**  trans-121.1-167.617942.3-31.5000115.7
515T39.8Very low37.4Very low139 Ų139120.2 Ų120.285%0.85379%0.791SS**  trans88.8147-17874.50000115.2
516N39.6Very low37.2Very low132 Ų132118.3 Ų118.371%0.70679%0.79SS**  cis-146.5167.38.8-157.13.8000113.1
517N39.4Very low37Very low151 Ų151117.2 Ų117.281%0.80779%0.789SS**  trans-4.2152.5167.9-64.8-20.1000121.5
518G38.3Very low36.9Very low61 Ų61118 Ų11863%0.62979%0.789SS**  cis156.5173.91.900000113.1
519N39.8Very low36.8Very low163 Ų163117.7 Ų117.787%0.87279%0.792SS**  trans70.5143.9-178.4-54.8-14.8000116.9
520S38.7Very low36.7Very low104 Ų104115.6 Ų115.673%0.72778%0.783SS**  cis161.9112.6-33.3-95.10000108
521T39.2Very low36.7Very low145 Ų145118.2 Ų118.289%0.8978%0.784SS**  -178.4135129.327.90000114.1
522A35Very low36.2Very low95 Ų95120.5 Ų120.579%0.78579%0.788SS**  trans56.5108.9143.100000122.8
523A32.3Very low35.8Very low100 Ų100117.3 Ų117.383%0.82678%0.783SS**  104139.7121.900000121.2
524A32.3Very low35.3Very low94 Ų94114.7 Ų114.778%0.77778%0.784SS**  trans52.3104.4167.700000117.7
525A31.2Very low35Very low97 Ų97119.4 Ų119.480%0.80280%0.799SS**  63.997.976.800000112.6
526A31.1Very low34.5Very low103 Ų103117.3 Ų117.385%0.85180%0.796SS**  91.3101.168.300000113.8
527A31.8Very low34Very low103 Ų103116 Ų11685%0.85180%0.804SS**  trans-162.2128.4152.100000110.9
528A32.4Very low33.7Very low84 Ų84113.7 Ų113.769%0.69481%0.806SS**  trans-105.8-172.3147.200000107.4
529L34.4Very low33.3Very low171 Ų171115.8 Ų115.890%0.89582%0.817SS**  trans70.6160.1-169.4-68.872.2000112
530S35.4Very low33.1Very low94 Ų94112.8 Ų112.866%0.65782%0.815SS**  cis-175.6-167.7-23.8-178.20000105.5
531T37.3Very low32.9Very low127 Ų127112.6 Ų112.678%0.77982%0.82SS**  trans64.8128.1169.662.90000115.5
532N32Very low32.7Very low155 Ų155112.1 Ų112.183%0.82982%0.816SS**  cis71.911013.8-151.753.4000116.5
533A31.1Very low32.6Very low88 Ų88113.8 Ų113.873%0.72782%0.817SS**SBendtrans70.2130.5165.200000120
534A29.6Very low32.8Very low104 Ų104113 Ų11386%0.8681%0.81SS**  trans50.7127.815000000120.9
535M33.7Very low33.1Very low197 Ų197117.5 Ų117.597%0.9782%0.817SS**  trans-133.2126.2150.4-138.6-168.8-72.300110.5
536A30.6Very low33.4Very low95 Ų95117.1 Ų117.179%0.78581%0.814SS**  trans-149.7145.7172.400000109.2
537A28.8Very low33.6Very low104 Ų104120.5 Ų120.586%0.8682%0.818SS**  trans60.8106169.700000119.4
538A33Very low33.9Very low103 Ų103119.6 Ų119.685%0.85182%0.819SS**  trans-147.8128.5141.500000107.4
539A30.5Very low34.1Very low105 Ų105122.8 Ų122.887%0.86882%0.824SS**  cis104.171.711.900000116.5
540A35Very low34.5Very low101 Ų101121.3 Ų121.384%0.83582%0.822SS**  trans-161.7132.5150.400000108.3
541A34.3Very low34.6Very low99 Ų99123.3 Ų123.382%0.81883%0.83SS**  cis103.182.613.100000116.5
542V34.6Very low34.6Very low135 Ų135121 Ų12182%0.81883%0.833SS**  trans-154.1100153.4172.10000106.3
543V33.8Very low34.7Very low131 Ų131121 Ų12179%0.79483%0.832SS**  69.7102.595.5177.90000115.9
544A36.8Very low35Very low84 Ų84123.5 Ų123.569%0.69484%0.838SS**  trans39.5152.1131.800000121.8
545M37.5Very low35.3Very low187 Ų187125.2 Ų125.292%0.92183%0.833SS**  cis-126.1-155.98-63.2179.4-179.200109.3
546A37.3Very low35.5Very low90 Ų90119.8 Ų119.874%0.74482%0.815SS**  cis-156.5-178.13.500000111
547N34.8Very low35.9Very low173 Ų173123.3 Ų123.393%0.92582%0.82SS**  trans-105.2149.6170.7-78.3-32000112.1
548G38.9Very low36.3Very low85 Ų85121.2 Ų121.288%0.87681%0.809SS**  trans-172.985173.100000114.3
549N36.5Very low36.4Very low150 Ų150122.9 Ų122.980%0.80281%0.808SS**  trans-107.5117.7-179.8165.695.1000111.5
550V43.3Very low36.8Very low141 Ų141125 Ų12586%0.85581%0.81SS**  trans-143.9140.7163.2-176.30000110.5
551T36.4Very low36.8Very low135 Ų135123.9 Ų123.983%0.82881%0.809SS**  trans-81.7152.7-179.2-15.10000112.7
552G38.3Very low36.9Very low80 Ų80122.9 Ų122.983%0.82581%0.808SS**  trans-177.6102.5170.100000115.3
553N33.2Very low37.1Very low153 Ų153124.8 Ų124.882%0.81881%0.813SS**  trans-109121.3175.1157.885000110.8
554V38.5Very low37.3Very low142 Ų142123.8 Ų123.886%0.86182%0.819SS**  trans-148.7152.9150.8-162.60000110.1
555N35.1Very low37.5Very low140 Ų140123 Ų12375%0.74982%0.819SS**  trans-85.9176.1179.4-174.920.7000113.3
556S38.6Very low37.6Very low83 Ų83123.8 Ų123.858%0.5882%0.82SS**  trans94.8127.7148.2-55.40000120.6
557N38.3Very low37.6Very low169 Ų169125.6 Ų125.690%0.90482%0.822SS**  trans61.5149.2163.9-62.9-4.1000118.4
558G36.9Very low37.8Very low60 Ų60124.6 Ų124.662%0.61982%0.815SS**  cis148.2129.5-12.500000114.6
559T36.2Very low37.5Very low137 Ų137123.1 Ų123.184%0.8480%0.8SS**  trans62.2146.5159.951.20000120.2
560T38.1Very low37.5Very low149 Ų149124.8 Ų124.891%0.91481%0.808SS**  trans60.9149.6171.7700000118
561G36.2Very low37.2Very low78 Ų78121.3 Ų121.380%0.80480%0.801SS**  cis157.5133.2-16.600000115
562G35.6Very low37.2Very low78 Ų78120.9 Ų120.980%0.80480%0.803SS**  trans109.6165.415800000118.3
563L39.1Very low37.4Very low176 Ų176122.9 Ų122.992%0.92180%0.802SS**  trans72.170.2163.4-53.6-178.6000119.1
564A37.1Very low37.5Very low110 Ų110118.7 Ų118.791%0.90979%0.794SS**  trans13.4127.9135.900000120.6
565G40.8Very low37.5Very low68 Ų68119 Ų11970%0.70180%0.797SS**  trans178.8109.7158.800000114.7
566Q41.4Very low37.7Very low203 Ų203117.3 Ų117.395%0.94980%0.796SS**  trans66.3136.8168.7-48.2-17592.200114.7
567T36.7Very low37.5Very low127 Ų127116.7 Ų116.778%0.77980%0.803SS**  cis-143.5171.434-164.50000114.6
568I37.9Very low37.5Very low153 Ų153118.2 Ų118.279%0.78580%0.804SS**  trans-28.6134.1-179.5-62.1166000116.7
569G33.6Very low37.2Very low54 Ų54121.6 Ų121.656%0.55781%0.813SS**  trans-111.6-144.6161.700000112.2
570L36.9Very low37.3Very low184 Ų184123.1 Ų123.196%0.96381%0.814SS**  trans76.4142.5-165.8-47.7170.9000112.8
571G35.7Very low37.1Very low68 Ų68119.5 Ų119.570%0.70180%0.799SS**  cis133113.9-3.200000111.9
572S37Very low37.1Very low126 Ų126123.5 Ų123.588%0.88180%0.802SS**  trans-65.7134.6-177.2-46.40000112.9
573P43.5Very low37.1Very low123 Ų123128 Ų12880%0.79980%0.801SS**  -121178.3109.1-0.221.7000110.7
574G34.5Very low37Very low64 Ų64123.5 Ų123.566%0.6679%0.789SS**  cis107.3139.512.200000112.2
575T38.4Very low37.2Very low150 Ų150124.7 Ų124.792%0.9279%0.785SS**  trans83.5156.9173.4-43.60000116.8
576S38.3Very low37Very low104 Ų104127.3 Ų127.373%0.72779%0.79SS**  trans-106.9143.5-157.553.50000115.8
577G35.3Very low36.8Very low70 Ų70120.6 Ų120.672%0.72278%0.775SS**  trans45.9134.1136.500000122.4
578H38.7Very low36.7Very low201 Ų201120.8 Ų120.893%0.93178%0.776SS**  trans-145.5143.5155.2-95.5-66.6000113.1
579T31.4Very low36.8Very low130 Ų130121.1 Ų121.180%0.79877%0.774SS**  trans-99.7132.6-176.4-54.40000112.2
580I36.8Very low37.3Very low169 Ų169124.6 Ų124.687%0.86778%0.784SS**  trans-155.7145.4148.8-58.5-171000106.9
581A33.6Very low37.5Very low74 Ų74121.3 Ų121.361%0.61277%0.774SS**  cis-178.4-174.9-33.400000106.8
582L37.6Very low37.7Very low162 Ų162124.3 Ų124.385%0.84879%0.785SS**  trans76.9139.8172.2-51.5175.8000116.8
583H35.3Very low37.8Very low171 Ų171123.1 Ų123.179%0.79278%0.782SS**  cis-166.6131.1-22.4-166.4-160.8000111.1
584A37.2Very low37.4Very low82 Ų82123 Ų12368%0.67878%0.775SS**  trans54.8153.8163.700000118.1
585V41.3Very low37.7Very low135 Ų135128 Ų12882%0.81879%0.786SS**  cis-151.5146.629168.10000110
586P35.6Very low37.5Very low124 Ų124128 Ų12881%0.80578%0.78SS**  trans-114.415516838.5-29.4000114.9
587G38.3Very low37.4Very low61 Ų61126.4 Ų126.463%0.62978%0.78SS**  trans122.1125.9142.200000120.3
588T34.7Very low37.6Very low132 Ų132132 Ų13281%0.8179%0.792SS**  trans67164.8161.277.60000115.8
589H39.5Very low37.5Very low159 Ų159125.9 Ų125.974%0.73678%0.784SS**  cis-158.4172.78.735.2-91.9000108
590T43.6Very low37.6Very low127 Ų127124.6 Ų124.678%0.77979%0.786SS**  cis-153.8167.41.2-0.70000108.2
591P42Very low37.7Very low116 Ų116123.7 Ų123.775%0.75379%0.788SS**  trans-96.1170.3-177.538.6-34.3000114.9
592S39.1Very low37.7Very low131 Ų131125 Ų12592%0.91679%0.793SS**  trans-155.6161159.3-81.50000110.6
593A39.3Very low37.6Very low100 Ų100124.5 Ų124.583%0.82679%0.79SS**  trans-142.2-177.1-155.800000114.6
594N35.9Very low37.9Very low122 Ų122121.7 Ų121.765%0.65279%0.787SS**  trans86.5106.3156.6-161.622.5000117.8
595L39.3Very low37.7Very low168 Ų168125 Ų12588%0.8879%0.793SS**  -149141108.1-130.471.4000111.1
596N34.5Very low37.3Very low150 Ų150124.1 Ų124.180%0.80278%0.783SS**  trans-94.2161178.4-76.1-77.7000111.5
597G36.6Very low37.1Very low70 Ų70125.5 Ų125.572%0.72278%0.779SS**  trans-161.93.2-174.900000123.5
598L38.7Very low36.9Very low187 Ų187127.1 Ų127.198%0.97979%0.786SS**  trans61.4155.6173-50.6170.5000116
599G38.3Very low36.7Very low74 Ų74127.6 Ų127.676%0.76378%0.783SS**  cis-166.2156.2-6.900000109.3
600A32.6Very low36.6Very low102 Ų102125.7 Ų125.784%0.84379%0.787SS**  trans-96.9144.8-165.900000115.1
601V38Very low35.9Very low151 Ų151127.4 Ų127.492%0.91579%0.792SS**  trans-140.4147.5146.6-1690000107.2
602S34.4Very low35.5Very low100 Ų100126.8 Ų126.870%0.69980%0.796SS**  trans-157.8175.4-175.8-169.40000111.5
603L35.9Very low35Very low153 Ų153124.9 Ų124.980%0.80178%0.783SS**  trans83.1157.3168.2-50.3179.7000115.9
604P41.4Very low34.7Very low112 Ų112130.3 Ų130.373%0.72779%0.788SS**  -149.9-165.7-99.440.4-15.1000116.8
605L33.8Very low34.4Very low152 Ų152128 Ų12880%0.79679%0.793SS**  trans45.1122.6142.5-141.579.8000121.4
606N31.8Very low34.1Very low115 Ų115127.8 Ų127.862%0.61579%0.792SS**  149.4150.796.2-154.115.1000117
607Q31.4Very low33.9Very low153 Ų153127.9 Ų127.972%0.71579%0.792SS**  trans53.9114.6149.1-91.6164.122.300124.5
608A34.4Very low33.7Very low95 Ų95129.7 Ų129.779%0.78579%0.79SS**  170.6112.1113.900000107.9
609I30.8Very low33.5Very low143 Ų143128.4 Ų128.473%0.73378%0.783SS**  53.8102.356.6-51.4-178.1000113.2
610S36.9Very low33.1Very low119 Ų119130.2 Ų130.283%0.83278%0.779SS**  trans-164.8136.9138.8-800000110.9
611N28.1Very low33.4Very low163 Ų163130.4 Ų130.487%0.87277%0.774SS**  trans-85.9143.5178.3-62.5-20.7000110.7
612A34Very low33.7Very low102 Ų102128.2 Ų128.284%0.84376%0.763SS**  trans-146.4138.815500000109.7
613S29.7Very low33.7Very low92 Ų92131 Ų13164%0.64377%0.769SS**  trans-96-168.1-177.9-55.20000111.3
614F31.9Very low33.6Very low214 Ų214129.9 Ų129.994%0.93977%0.769SS**  trans73.7146.3172.2-37.1-72.9000114.2
615G30.9Very low33.5Very low72 Ų72128.3 Ų128.374%0.74277%0.773SS**  cis164.2123-5.700000110
616L32.7Very low33.6Very low165 Ų165129.1 Ų129.186%0.86478%0.777SS**  trans-75.4166.8-179.5-72.6171.8000112.8
617N29.4Very low34.1Very low151 Ų151129.1 Ų129.181%0.80778%0.784SS**  trans115.3140173.9-62.8-34.3000113.2
618T31.8Very low34.3Very low109 Ų109127.2 Ų127.267%0.66978%0.783SS**  cis-162.9138.2-6-98.60000113.2
619L35Very low34.2Very low160 Ų160130 Ų13084%0.83878%0.784SS**  trans19.4161.1149.1-57166.4000125.5
620T31.2Very low34.3Very low112 Ų112127.5 Ų127.569%0.68779%0.785SS**  trans89.8133.9151.5-135.50000117.9
621S37.6Very low34Very low105 Ų105128.9 Ų128.973%0.73478%0.782SS**  cis75.9158.715.1-35.90000115.5
622P45.7Very low34Very low105 Ų105125.3 Ų125.368%0.68277%0.77SS**  cis-140.6-168.92.143.1-23.7000116.5
623L33.4Very low34Very low158 Ų158128.2 Ų128.283%0.82777%0.766SS**  trans68.2159.7153.8-105.661.1000118.5
624T34.2Very low34.3Very low130 Ų130131.5 Ų131.580%0.79878%0.776SS**  cis-145.3154.78.327.90000110.9
625G38.9Very low34.6Very low79 Ų79131.3 Ų131.381%0.81477%0.77SS**  trans162107161.200000117.7
626L36.4Very low35.1Very low169 Ų169133.2 Ų133.289%0.88577%0.77SS**  trans-110.4167162.6-86.9162.7000107.7
627P40.7Very low35.5Very low115 Ų115130.2 Ų130.275%0.74776%0.762SS**  cis-145.1-160.929.645.8-25000117
628T36.8Very low36.1Very low113 Ų113128.6 Ų128.669%0.69376%0.757SS**  trans-56.3156.4-176.150.70000120.9
629D31.1Very low36.6Very low153 Ų153128.8 Ų128.882%0.81876%0.761SS**  trans86.9159.3135.6-94.1-59.3000123.4
630A34.3Very low36.5Very low91 Ų91126.3 Ų126.375%0.75275%0.752SS**  trans73.3151.317700000118.1
631L29.2Very low36.9Very low148 Ų148132.3 Ų132.378%0.77576%0.764SS**  cis177.5113.7-36.6-127.1169000106
632S29.2Very low36.8Very low89 Ų89130.3 Ų130.362%0.62276%0.76SS**  trans60.7178.1160.851.10000119.2
633H34.7Very low36.4Very low162 Ų162134 Ų13475%0.7577%0.773SS**  trans75129.2178.1-51-73.6000115.1
634L36.2Very low36.6Very low162 Ų162131.8 Ų131.885%0.84877%0.771SS**  cis-149.1157.44.3-95.4139.5000112.2
635Y36.1Very low36.5Very low210 Ų210135.8 Ų135.882%0.82477%0.773SS**  trans-78.6168.1163-103.6-112.5000110.6
636P42.8Very low36.7Very low112 Ų112137.5 Ų137.573%0.72777%0.77SS**  cis-130.6-16540.132-7000113.4
637S40.2Very low36.9Very low102 Ų102134.9 Ų134.971%0.71377%0.766SS**  cis-156.917923.8-450000113.3
638V41.8Very low36.9Very low116 Ų116135 Ų13570%0.70377%0.766SS**  trans-142.8153.2170.9-142.40000110
639P42.4Very low37Very low113 Ų113136.7 Ų136.773%0.73478%0.776SS**  -139.9153.796.637.8-24.7000113
640T34Very low37.2Very low109 Ų109135.7 Ų135.767%0.66978%0.776SS**  cis92.28628.1-530000115.6
641Y38.6Very low37.2Very low237 Ų237136.8 Ų136.893%0.92978%0.778SS**  trans-151.8145.2148.6-66.7-81.5000106.9
642G36.1Very low37.5Very low64 Ų64133.7 Ų133.766%0.6677%0.774SS**  cis158.5131.7-10.400000111.9
643L37.7Very low37.9Very low182 Ų182137.5 Ų137.595%0.95379%0.786SS**  trans75143.9171.4-47.9178.7000116.8
644S36.8Very low38.1Very low112 Ų112137.6 Ų137.678%0.78379%0.793SS**  cis-158.7157.9-19.4-166.10000110.9
645Y33.5Very low38.2Very low214 Ų214135.4 Ų135.484%0.83979%0.788SS**  trans-109.6157.5171.5-106.5-85.2000109.9
646P41.5Very low38.1Very low115 Ų115135.6 Ų135.675%0.74779%0.793SS**  -156.6142.394.438.4-18000118.9
647S41.2Very low37.7Very low113 Ų113134.8 Ų134.879%0.7980%0.796SS**  trans65.4159.9136.1-61.50000122.8
648P41.6Very low37.5Very low118 Ų118136.6 Ų136.677%0.76680%0.803SS**  trans-118.4165.8-158.142.1-31.1000116.3
649V38.8Very low37.3Very low148 Ų148140.2 Ų140.290%0.89782%0.815SS**  trans-140.1162.6161.4-75.10000111.5
650T34.2Very low36.9Very low133 Ų133139 Ų13982%0.81681%0.814SS**  trans-100.1165.8-163.5-42.20000113.7
651S35.4Very low37Very low114 Ų114143.3 Ų143.380%0.79783%0.826SS**  trans86.8143163.9-500000116.8
652A35.3Very low37Very low83 Ų83141.5 Ų141.569%0.68683%0.826SS**  cis-162.3149.2-14.400000112.9
653L36.9Very low36.9Very low168 Ų168143.1 Ų143.188%0.8883%0.833SS**  trans50.6107.3147.5-62.2169.1000120.9
654N38.4Very low36.8Very low165 Ų165143 Ų14388%0.88283%0.833SS**  trans-86.6136.7151.3-95.4-12.9000110.5
655P39.6Very low37Very low116 Ų116144.3 Ų144.375%0.75384%0.836SS**  trans-93.6102.7-17834.1-32.3000112.9
656F33.3Very low37Very low213 Ų213142.7 Ų142.793%0.93484%0.838SS**  trans-148.241.3171.3-137.1-88.2000114.5
657A34.3Very low36.7Very low96 Ų96142.9 Ų142.979%0.79384%0.84SS**  trans-151.251.4-177.500000113.8
658T36.6Very low36.3Very low139 Ų139144.3 Ų144.385%0.85384%0.837SS**  trans-146.261.1-176-39.60000114.5
659M37.2Very low36.1Very low193 Ų193147.6 Ų147.695%0.95184%0.842SS**SBendtrans-150.638.9161.1-152.1173.4-71.900114.4
660A34.7Very low35.8Very low87 Ų87148 Ų14872%0.71983%0.834SS**SBendtrans-152.883.6172.400000111
661H35.5Very low35.9Very low199 Ų199150.7 Ų150.792%0.92184%0.835SS**SBendtrans-178.946.6157.9-105.286.8000113.6
662Q37.6Very low35.8Very low199 Ų199152.8 Ų152.893%0.9383%0.832SS**  trans-143.568.7172.8-75.2-164.6-19.700112.8
663A34.4Very low35.8Very low98 Ų98152.2 Ų152.281%0.8183%0.834SS**SBendtrans-153.28.7174.800000116.1
664L36.1Very low35.7Very low181 Ų181149.9 Ų149.995%0.94883%0.827SS**  trans-133.987.4176.7-74.4177.7000111.2
665T40.2Very low35.7Very low138 Ų138151.4 Ų151.485%0.84783%0.825SS**  trans-138.294.2162.5-177.80000109.9
666M33.7Very low35.5Very low180 Ų180153.3 Ų153.389%0.88783%0.829SS**SBendtrans-150.8148.5156.3-84.6-129.7-64.400108
667P36.2Very low35.7Very low119 Ų119150.8 Ų150.877%0.77383%0.825SS**  trans-88.8129.1-153.231.8-36000116.1
668I32.8Very low35.8Very low143 Ų143152.6 Ų152.673%0.73382%0.82SS**  trans15.5116.6131.9-51.9170.7000117.3Q670I668-Q670 HydrophobicContact CG2-CB 4.22Å
669Q36.8Very low35.7Very low188 Ų188153.6 Ų153.688%0.87982%0.819SS**  -157.587.2126.4-78-138.336.300107.1
670Q33.2Very low35.5Very low155 Ų155149.7 Ų149.772%0.72481%0.806SS**  74.4130.378.8-165.3177.413.700114I668I668-Q670 HydrophobicContact CG2-CB 4.22Å
671K35.3Very low35.5Very low191 Ų191150.3 Ų150.383%0.8381%0.811SS**  trans110.182.8176.1-159.9170.9-171.5179.10113.6
672E34.6Very low35.5Very low158 Ų158147.5 Ų147.574%0.73880%0.803SS**  62.711959.8-158.2174.5-168.600111.8
673G33.9Very low35.3Very low70 Ų70145.5 Ų145.572%0.72280%0.799SS**  cis176.2-167.86.300000111.7
674T35.1Very low35.2Very low119 Ų119149.2 Ų149.273%0.7380%0.804SS**  cis-176.4122.6-14.5-99.80000109
675K37.8Very low35.3Very low197 Ų197146.7 Ų146.786%0.85780%0.796SS**  trans171.8106138.3-99161.9-176.6169.20114.2
676D37.3Very low34.9Very low156 Ų156147.6 Ų147.683%0.83480%0.796SS**  trans-104.7152.7155.5-84.1-65.5000109.3
677L36.4Very low34.9Very low161 Ų161145.9 Ų145.984%0.84379%0.79SS**  trans-125.186167.2-16774.4000109.9
678I36.9Very low35Very low134 Ų134147.8 Ų147.869%0.68779%0.789SS**  trans-74.8126.3172.6-60.9170.1000108.6
679L35Very low35Very low160 Ų160151.4 Ų151.484%0.83879%0.793SS**  trans-127.991.4160.1-85.9173.1000109.9
680T32Very low34.8Very low111 Ų111147 Ų14768%0.68179%0.789SS**  trans-78.7128.9164.5-54.50000109.1
681A34.7Very low34.7Very low100 Ų100151.9 Ų151.983%0.82680%0.801SS**  trans-139.298.4168.900000109.6
682N35.7Very low34.4Very low140 Ų140146.3 Ų146.375%0.74980%0.798SS**  trans-86.1150.7165.4-73.2-34.9000109.3
683N32.6Very low34.2Very low157 Ų157148.2 Ų148.284%0.8481%0.809SS**  trans51108.4166.4-66.3-24.9000117.2
684L34.2Very low34.1Very low175 Ų175153.4 Ų153.492%0.91682%0.815SS**  trans-150.8149.9142.7-107.7150.1000110
685T37.2Very low33.6Very low129 Ų129153.7 Ų153.779%0.79182%0.822SS**  trans-85173.2-172.844.90000112.7
686N31.7Very low33.2Very low156 Ų156152.7 Ų152.783%0.83482%0.818SS**SBendtrans-52.5153.5176.1-67.2-16.6000113.4
687D32.9Very low32.9Very low144 Ų144153.7 Ų153.777%0.7782%0.817SS**  trans6098.4167.3-113.5-70.3000117.9
688Q40Very low33.1Very low160 Ų160152.7 Ų152.775%0.74881%0.811SS**  -172.8140.6117.3-98.8-79.6-52.400112.7
689R32.5Very low33.2Very low219 Ų219149.8 Ų149.883%0.82680%0.801SS**  trans74.777.6146-152.8173.5-156.61412.8119.4
690A31.3Very low33.6Very low96 Ų96148.3 Ų148.379%0.79380%0.801SS**  trans-58.4141.1152.800000112.6
691R32.6Very low33.8Very low256 Ų256147.6 Ų147.697%0.96680%0.796SS**  trans-178.3118.3141.8-105.7172-177.9-160.4-0.9110.6
692G28.6Very low34Very low75 Ų75146.8 Ų146.877%0.77378%0.781SS**SBendtrans122.256.2160.200000118.4
693M30.4Very low34Very low197 Ų197142.4 Ų142.497%0.9777%0.769SS**  trans-161.4159.3134.1-106.6168.1-165.100110
694Q30.4Very low34.4Very low180 Ų180140.1 Ų140.184%0.84176%0.756SS**  trans-84.8138-164.9-70.3168.5-41.700113F696Q694-F696 PolarHBondContact O-N 2.97Å
695S25.9Very low34.6Very low124 Ų124142.2 Ų142.287%0.86775%0.752SS**  trans-70.1110.3169.1-53.10000110.7
696F30.1Very low34.6Very low177 Ų177144 Ų14478%0.77674%0.744SS**  trans-80.3115160.1-103.5-93.1000109.2Q694 I698Q694-F696 PolarHBondContact O-N 2.97Å; F696-I698 HydrophobicContact CB-CG1 4.48Å; F696-I698 PolarHBondContact O-N 3.37Å; F696-I698 VanDerWaalsContact O-N 3.17Å
697H29.8Very low34.9Very low176 Ų176140 Ų14082%0.81573%0.726SS**  trans-75.899.4173.9-178.985.2000109.1
698I41.4Very low35.5Very low140 Ų140145.1 Ų145.172%0.71874%0.735SS**  trans-100.1121.6175.3-55.6178.5000107.9F696F696-I698 HydrophobicContact CB-CG1 4.48Å; F696-I698 PolarHBondContact O-N 3.37Å; F696-I698 VanDerWaalsContact O-N 3.17Å
699P38.3Very low35.6Very low73 Ų73143.6 Ų143.647%0.47473%0.73SS.*  trans-68.5153.8177.129.4-34.9000111.3T701P699-T701 VanDerWaalsContact C-N 3.26Å; P699-T701 PolarHBondContact O-N 3.05Å
700P42.4Very low36.1Very low129 Ų129137.5 Ų137.584%0.83874%0.735SS**SBendtrans-79.366.7-174.433.6-37.1000112.4
701T36.9Very low36.6Very low96 Ų96135.9 Ų135.959%0.58972%0.718SS**  trans-125.8116.9178.644.10000112P699P699-T701 VanDerWaalsContact C-N 3.26Å; P699-T701 PolarHBondContact O-N 3.05Å
702T38.4Very low37.2Very low84 Ų84130.6 Ų130.652%0.51571%0.709SS.*  trans53.789.2174.845.10000116.5I716T702-I716 HydrophobicContact CG2-CG2 3.8Å
703G37.2Very low37.8Very low47 Ų47132 Ų13249%0.48570%0.703SS.*  trans-96.6129.4166.500000112.3
704I39.7Very low38.3Very low109 Ų109128.6 Ų128.656%0.55968%0.68SS**EExtended strand (participates in β ladder)trans-92114.4174.8-60.3176.2000109.3Y714 I716I704-Y714 HydrophobicContact CG2-CD1 3.92Å; I704-I716 HydrophobicContact CG1-CG1 4.39Å
705W38.6Very low38.9Very low220 Ų220123.3 Ų123.383%0.83367%0.667SS**EExtended strand (participates in β ladder)trans-101.4131.1172.4-74.884.5000110.9
706R38Very low39.6Very low166 Ų166123.1 Ų123.163%0.62666%0.655SS**PPolyproline II helixtrans-91.9127.7164-71.9-171.2-174.1-121.29.8109.4Y714R706-Y714 HydrophobicContact CG-CE1 4.3Å; R706-Y714 VanDerWaalsContact CZ-OH 3.23Å; R706-Y714 PolarHBondContact NH1-OH 3.39Å; R706-Y714 PolarHBondContact NH2-OH 3.03Å
707P38.5Very low39.9Very low71 Ų71123.6 Ų123.646%0.46165%0.652SS.*PPolyproline II helixtrans-63.4144.1165.928.4-33.5000109.8I709 S711P707-I709 PolarHBondContact O-N 3Å; P707-I709 VanDerWaalsContact O-N 3.09Å; P707-S711 WeakPolarHBondContact CG-OG 3.19Å
708R45.3Very low40.1Very low252 Ų252119.9 Ų119.995%0.95164%0.638SS**SBendtrans-73.9-1.1-169.4-147.7-168.4-72.1-135.83.7114.5
709I41.3Very low40Very low129 Ų129116.5 Ų116.566%0.66263%0.626SS**SBendtrans-142.9119.4-174.2-53.5178.4000111.1P707 S711P707-I709 PolarHBondContact O-N 3Å; P707-I709 VanDerWaalsContact O-N 3.09Å; I709-S711 PolarHBondContact O-N 3.31Å
710G42.7Very low40.1Very low90 Ų90119.5 Ų119.593%0.92864%0.639SS**SBendtrans76.44.6143.100000120.7
711S41.5Very low39.9Very low62 Ų62122.3 Ų122.343%0.43464%0.641SS.*  trans-135.9128.2-179.851.50000114.4P707 I709 V713P707-S711 WeakPolarHBondContact CG-OG 3.19Å; I709-S711 PolarHBondContact O-N 3.31Å; S711-V713 PolarHBondContact O-N 3.32Å
712D45.8Very low39.8Very low146 Ų146127.5 Ų127.578%0.78168%0.678SS**  trans-77.728.3174.5-63.2-59.3000113.2
713V41.8Very low39.9Very low105 Ų105129.7 Ų129.764%0.63669%0.687SS**  trans-99.4109.6-175.5-178.10000109.3S711S711-V713 PolarHBondContact O-N 3.32Å
714Y40.4Very low40Very low124 Ų124134 Ų13449%0.48670%0.697SS.*  trans-89.9112.2172.6-57.7-96.2000109.1I704 R706I704-Y714 HydrophobicContact CG2-CD1 3.92Å; R706-Y714 HydrophobicContact CG-CE1 4.3Å; R706-Y714 VanDerWaalsContact CZ-OH 3.23Å; R706-Y714 PolarHBondContact NH1-OH 3.39Å; R706-Y714 PolarHBondContact NH2-OH 3.03Å
715A42.8Very low40Very low69 Ų69135.4 Ų135.457%0.5771%0.705SS**EExtended strand (participates in β ladder)trans-87131.3167.400000109.6
716I39.9Very low40.1Very low120 Ų120130.4 Ų130.462%0.61570%0.697SS**EExtended strand (participates in β ladder)trans-110.1115.2169.4-57.9175.9000106.6T702 I704T702-I716 HydrophobicContact CG2-CG2 3.8Å; I704-I716 HydrophobicContact CG1-CG1 4.39Å
717W36.6Very low40.3Very low187 Ų187128.2 Ų128.271%0.70870%0.702SS**  trans-99.9144.2174.5-173.664.6000111S719W717-S719 WeakPolarHBondContact CH2-OG 3.14Å
718N35.8Very low40.4Very low99 Ų99132 Ų13253%0.52972%0.718SS.*  trans-131.3123.4178.7-173.12.3000108.8N720N718-N720 PolarHBondContact O-N 2.98Å
719S38.9Very low40Very low68 Ų68123.4 Ų123.448%0.47670%0.701SS.*SBendtrans-79.622.3-163-169.50000115W717W717-S719 WeakPolarHBondContact CH2-OG 3.14Å
720N39.7Very low39.9Very low136 Ų136123 Ų12373%0.72770%0.704SS**  trans-115.113.9-159.4-82.810.6000116N718N718-N720 PolarHBondContact O-N 2.98Å
721Q38.6Very low39.7Very low188 Ų188125.8 Ų125.888%0.87969%0.686SS**  trans-140134.8163.6-65.1-172.124.400109.7
722C34.7Very low39.5Very low205 Ų205131.5 Ų131.5100%1.38571%0.708SS**  trans-115.90171-62.50000108.8

Retrieved 722 of 722 residues in 106.9 ms (Link to these results)