A0A096NAX6_PAPAN Loading...

SHC-transforming protein 1

AlphaFold DB , UniProt , Accession A0A096NAX6, Species PAPAN (Papio anubis, Olive baboon), Gene SHC1, Length 584 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
1M34Very low41.8Very low216 Ų216160.5 Ų160.5100%1.06482%0.818SS**  0960-5673.8174.700106.1
2D36.1Very low42.3Very low139 Ų139155.2 Ų155.274%0.74380%0.803SS**  94.7139.288.9-66.8-51.2000109.6
3L38.7Very low41.4Very low154 Ų154154.8 Ų154.881%0.80680%0.801SS**  cis-154.9-179-6.8-115.9167.2000109.7
4L40.6Very low40.6Very low161 Ų161159.7 Ų159.784%0.84381%0.805SS**  trans-94-151.8-179.3-69.7162.4000113
5P67.4Low40.3Very low109 Ų109158.1 Ų158.171%0.70880%0.799SS**  -115.2-160.4-118.736.3-14.3000113
6P52.4Low39.5Very low123 Ų123159.8 Ų159.880%0.79980%0.803SS**  -151.8-171.294.639.8-20.6000116.3
7K33.9Very low39.3Very low197 Ų197156.2 Ų156.286%0.85780%0.797SS**  trans-107.5-142.9178-65.2178.3179.2176.70112
8P61.8Low38.9Very low114 Ų114156.9 Ų156.974%0.7480%0.801SS**  -120.6-167.2-104.140.3-22.5000113.8
9K35.3Very low38.4Very low211 Ų211154 Ų15492%0.91780%0.797SS**  trans-156.7176.5161.2-109.8150.7-171.4177.60113.5
10Y29Very low38Very low209 Ų209150.8 Ų150.882%0.8279%0.788SS**  trans-147.9128.9-146.8-145.8-109.1000113
11N30.3Very low37.9Very low132 Ų132150 Ų15071%0.70678%0.784SS**  trans55.6-177.7149.7-92.6-59.7000119.7
12P48.5Very low37.9Very low97 Ų97146.9 Ų146.963%0.6377%0.767SS**  cis-131.3-159.6-25.624.60.3000112.8
13L29.7Very low37.9Very low150 Ų150148.5 Ų148.579%0.78577%0.77SS**  trans80.1153.8159.8-55-178.8000117.7
14R30.3Very low37.5Very low224 Ų224144.7 Ų144.785%0.84577%0.768SS**  cis-167.8160-21.9176173.2-176.6170.50.1108.2
15N36.1Very low37.2Very low136 Ų136141.6 Ų141.673%0.72777%0.766SS**  trans-54.3157.7172.8-97.828000114.3
16E28.5Very low35.5Very low185 Ų185142.1 Ų142.186%0.86477%0.772SS**  -159.2168.1122.9-91.6-62.171.600109.9
17S35Very low34.4Very low99 Ų99140.1 Ų140.169%0.69277%0.774SS**  trans-115.6175-166.8-55.10000114.4
18L32.2Very low34.1Very low168 Ų168136.6 Ų136.688%0.8877%0.774SS**  trans168.6150.1150-91.7164.1000107.9
19S29.7Very low32.6Very low102 Ų102137.6 Ų137.671%0.71378%0.778SS**  cis-125.4167.3864.40000111.1
20S30.3Very low33.6Very low90 Ų90132.9 Ų132.963%0.62977%0.769SS**  cis69.6135.539.8-89.40000114.4
21L36.8Very low34.4Very low134 Ų134128 Ų12870%0.70276%0.763SS**  cis-165.4167.42.7-164.752.1000113.1
22E34.3Very low34.3Very low150 Ų150129.1 Ų129.170%0.70176%0.764SS**  trans63.6154.5154.5-92.3156.750.200121.4
23E35.3Very low33.2Very low173 Ų173132.9 Ų132.981%0.80877%0.773SS**  cis-152.1145.4-17.1-147174.64900109.4
24G30.2Very low33.2Very low74 Ų74132.6 Ų132.676%0.76377%0.772SS**  109.2158.392.400000111.6
25A33.7Very low33.5Very low97 Ų97127.5 Ų127.580%0.80277%0.768SS**  cis-174.4163.1-11.900000107.7
26S32.5Very low33.2Very low119 Ų119125.7 Ų125.783%0.83277%0.766SS**  cis-175.5142.3-21.454.70000111.1
27G28.3Very low33.6Very low81 Ų81123.2 Ų123.284%0.83577%0.766SS**  trans112159.2167.600000116.5
28S29.3Very low33.2Very low123 Ų123123.7 Ų123.786%0.8677%0.769SS**  cis-156179.8-4.554.40000111.8
29T29.7Very low33Very low136 Ų136120.2 Ų120.283%0.83477%0.765SS**  trans-108.5-156.9-158.757.70000115.5
30P56.2Low32.8Very low111 Ų111121 Ų12172%0.72177%0.77SS**  -115.4-172.6-121.341.5-21000114
31P46.7Very low32.7Very low108 Ų108121.7 Ų121.770%0.70178%0.775SS**  -147-154.985.138.8-16000112.1
32E27.3Very low32.3Very low155 Ų155123.4 Ų123.472%0.72478%0.784SS**  cis-159.4160.22.1-156.738.298.600114
33E24.9Very low32.1Very low175 Ų175119 Ų11982%0.81878%0.779SS**  trans59.3171.4153.4-94.7-170.6119.300126.1
34L31.1Very low32Very low144 Ų144116.2 Ų116.275%0.75478%0.776SS**  trans-132.7174.5-161.9-110.7170.8000108.6
35P36Very low31.8Very low118 Ų118120.4 Ų120.477%0.76678%0.779SS**  -153.8176.157.542.1-19.8000118.7
36S30Very low31.8Very low97 Ų97122.6 Ų122.668%0.67878%0.777SS**  trans-104.3157.9158.6-42.80000110.6
37P35.9Very low31.8Very low133 Ų133122.8 Ų122.886%0.86478%0.775SS**  trans-106.1159.9152.335.3-28.9000112
38S26.8Very low32.3Very low110 Ų110123.7 Ų123.777%0.76977%0.766SS**  trans-126157-162.5-54.90000113.8
39A27.6Very low32.3Very low95 Ų95126.1 Ų126.179%0.78577%0.769SS**  trans67.7152.416200000115.6
40S26.4Very low32.6Very low117 Ų117125.3 Ų125.382%0.81877%0.766SS**  cis-146.1170.434.9-620000114.3
41S28.3Very low31.1Very low106 Ų106123.8 Ų123.874%0.74177%0.77SS**  trans-68.8152.1-178.557.40000114.9
42L28.6Very low30.4Very low169 Ų169125.2 Ų125.289%0.88577%0.772SS**  -165.9136.5117.2-101.2165.3000109.9
43G30Very low30.6Very low59 Ų59125.3 Ų125.361%0.60878%0.777SS**  trans-82.4175161.700000110.7
44P32Very low31Very low114 Ų114121 Ų12174%0.7477%0.766SS**  -151.616563.940.7-22000118.2
45I26.7Very low31.2Very low161 Ų161116.7 Ų116.783%0.82675%0.747SS**  trans60.8126.4141.1-67.5165.7000120.4
46L34Very low31.4Very low144 Ų144115.6 Ų115.675%0.75474%0.739SS**  trans-77.4157.5167.6-106.491.9000112.6P48L46-P48 HydrophobicContact CD2-CG 4.44Å
47P31.3Very low31.8Very low122 Ų122116.9 Ų116.979%0.79274%0.743SS**  -138.5155.998.637.8-26.8000115.1
48P38.8Very low32.1Very low100 Ų100113.9 Ų113.965%0.64972%0.719SS**  trans-97.7144.7177.337.1-31.3000113.2L46L46-P48 HydrophobicContact CD2-CG 4.44Å
49L30.1Very low32.5Very low174 Ų174112.7 Ų112.791%0.91171%0.709SS**  trans-149.2165.3169.1-87.5-167.2000111.2
50P35.3Very low32.6Very low120 Ų120112.7 Ų112.778%0.77970%0.704SS**  -117.2171.4-128.842.6-37.1000116
51G26.1Very low32.9Very low79 Ų79114.1 Ų114.181%0.81470%0.696SS**  trans-132.4125.816000000110.3
52D32Very low33Very low138 Ų138118.7 Ų118.774%0.73870%0.703SS**  trans-96.4119.8173.9-169.7-65.1000108.3S54D52-S54 PolarHBondContact OD1-N 3.38Å; D52-S54 PolarHBondContact OD1-OG 3.45Å
53D30.2Very low33.1Very low156 Ų156116.4 Ų116.483%0.83470%0.697SS**  trans-121.186.6171.7-154.9-70.4000109.1
54S34.5Very low33.2Very low84 Ų84123.8 Ų123.859%0.58771%0.707SS**  trans-82121.3178-74.70000110.3D52 T56D52-S54 PolarHBondContact OD1-N 3.38Å; D52-S54 PolarHBondContact OD1-OG 3.45Å; S54-T56 PolarHBondContact O-N 2.92Å
55P35.3Very low32.8Very low54 Ų54127.2 Ų127.235%0.35172%0.716SS.*  trans-67.1127.3-170.125.9-35.2000112.6T57 P268P55-T57 PolarHBondContact O-N 3.43Å; P55-T57 VanDerWaalsContact O-N 3.09Å; P55-P268 HydrophobicContact CG-CB 3.88Å; P55-P268 HydrophobicContact CG-CG 4.2Å
56T39Very low32.9Very low96 Ų96124 Ų12459%0.58971%0.707SS**  trans-69.8101.9178.938.30000111.9S54 Q298S54-T56 PolarHBondContact O-N 2.92Å; T56-Q298 PolarHBondContact O-NE2 2.79Å; T56-Q298 PolarHBondContact OG1-NE2 1.88Å
57T39.6Very low32.5Very low124 Ų124124 Ų12476%0.76171%0.708SS**  trans-76.9139.9157.251.60000109.7P55 C59P55-T57 PolarHBondContact O-N 3.43Å; P55-T57 VanDerWaalsContact O-N 3.09Å; T57-C59 VanDerWaalsContact C-N 3.27Å; T57-C59 PolarHBondContact O-N 3.41Å
58L40.5Very low32.3Very low70 Ų70125.9 Ų125.937%0.36671%0.711SS.*SBendtrans-76.865-175.1-69.9-179.9000113.3V141 N142 I301L58-V141 HydrophobicContact CD1-CG1 4.41Å; L58-N142 HydrophobicContact CB-CB 3.98Å; L58-N142 HydrophobicContact CD2-CB 3.76Å; L58-N142 HydrophobicContact CG-CB 4.38Å; L58-I301 HydrophobicContact CD1-CG2 3.92Å
59C35.9Very low31.8Very low84 Ų84132.2 Ų132.257%0.56872%0.722SS**  trans170.6111.5137.7-171.70000113.7T57 N142T57-C59 VanDerWaalsContact C-N 3.27Å; T57-C59 PolarHBondContact O-N 3.41Å; C59-N142 WeakPolarHBondContact CB-OD1 3.45Å
60S30Very low31.6Very low95 Ų95132.4 Ų132.466%0.66472%0.722SS**  trans-176.6150.9155.4-75.50000106.4
61F32.7Very low31.1Very low148 Ų148131 Ų13165%0.64972%0.721SS**  cis-150.3165.726.7-105.2-81000110.5
62F29.8Very low31.3Very low202 Ų202135 Ų13589%0.88672%0.723SS**  179.5150.6129.6-90.3-56.5000110.4
63P32Very low31.5Very low120 Ų120134 Ų13478%0.77972%0.724SS**  cis-110178.8-31.338.8-27.1000111.7
64R30.5Very low31.3Very low214 Ų214130.5 Ų130.581%0.80872%0.717SS**  trans-106.4135177-78.5-176.6176167.2-0.3113
65M25.2Very low31.1Very low187 Ų187130.3 Ų130.392%0.92173%0.729SS**  trans-148.9140.5136.5-79.3-161.1-75.700107
66S28Very low30.7Very low93 Ų93131.7 Ų131.765%0.6575%0.753SS**  cis-159.2-175.1-1.952.10000110.7
67N26Very low30.3Very low144 Ų144138.9 Ų138.977%0.7777%0.77SS**  trans88.1158.4162.9-62.4-45000121.1
68L27.7Very low30.1Very low162 Ų162139 Ų13985%0.84877%0.773SS**  trans-82.3158.2-157.4-73.465.5000113.6
69R27Very low29.3Very low233 Ų233139.2 Ų139.288%0.87979%0.791SS**  trans-68.4140.3157.3-69.4172.9164.5165.4-6110.1
70L26.3Very low28.8Very low177 Ų177140 Ų14093%0.92780%0.798SS**  -159.9169.1106.8-128.471000110.1
71A24Very low28.5Very low90 Ų90145.5 Ų145.574%0.74481%0.81SS**  trans-130125.5-175.200000112.4
72N30.3Very low28.1Very low163 Ų163142.4 Ų142.487%0.87282%0.819SS**  trans60.4171.5152.4-102.82.3000118
73P37.7Very low27.9Very low117 Ų117141.4 Ų141.476%0.7682%0.818SS**  cis-128.7-176.513.441-23.4000116.7
74A26.1Very low28.2Very low83 Ų83140.9 Ų140.969%0.68681%0.814SS**  trans-65.2165.7159.100000111.4
75G29.5Very low28Very low80 Ų80133.9 Ų133.983%0.82581%0.808SS**  cis145.2139.8-1.100000110.9
76G26.1Very low28.1Very low84 Ų84137.2 Ų137.287%0.86681%0.81SS**  trans-167147.6-174.600000115
77R31.4Very low28Very low247 Ų247137 Ų13793%0.93281%0.814SS**  trans-119.7160.4179.3-113.5179.2176.8-162-0.6107.9
78P35.5Very low28.1Very low127 Ų127134.5 Ų134.583%0.82581%0.814SS**  -157.3166.964.641.1-20.1000119.5
79G23.2Very low28.2Very low74 Ų74134 Ų13476%0.76381%0.812SS**  trans83159.2158.200000117.4
80S25.6Very low28.3Very low101 Ų101130.2 Ų130.271%0.70681%0.809SS**  cis-166.2155.2-16.170.10000111.8
81K24.4Very low28.4Very low210 Ų210125 Ų12591%0.91380%0.798SS**  trans65.1148.7166.9-58178177.7179.50118.2
82G24.1Very low28.5Very low82 Ų82129.9 Ų129.985%0.84581%0.806SS**  trans132.988.9155.400000117.4
83E24.8Very low28.3Very low182 Ų182125.4 Ų125.485%0.8580%0.798SS**  trans-114.8171.1152.9-120.7-150.5110.300107.2
84P40Very low27.9Very low109 Ų109126.7 Ų126.771%0.70880%0.797SS**  cis-137.2170.4-1.541.2-24.7000116.8
85G25.4Very low28Very low66 Ų66129.9 Ų129.968%0.6881%0.807SS**  104.5138.3123.600000123
86R26.6Very low27.8Very low257 Ų257129.8 Ų129.897%0.9781%0.807SS**  trans70.2150.3148.2-63.5-179-177.2-166.2-0.5117.7
87A26.7Very low27.8Very low89 Ų89131 Ų13174%0.73681%0.808SS**  cis-154.3146.1-9.500000108.1
88A27.1Very low27.6Very low91 Ų91124 Ų12475%0.75280%0.803SS**  74.6160.397.800000117
89D29.8Very low27.3Very low152 Ų152126.5 Ų126.581%0.81381%0.806SS**  trans63.7153.7179-88.7-127.4000118.2
90D28.9Very low28.5Very low153 Ų153128.5 Ų128.582%0.81881%0.806SS**  cis-168-179.9-49.5-130.3-76.3000109.8
91G28.6Very low28.5Very low68 Ų68130.7 Ų130.770%0.70181%0.809SS**  trans123115.8153.700000120.1
92E26.7Very low28.7Very low193 Ų193125.6 Ų125.690%0.90280%0.801SS**  trans-76.2167.1159.8-56.1168.491.100110.9
93G26.2Very low28.7Very low68 Ų68125 Ų12570%0.70180%0.795SS**  cis156.5-172.8-2.200000112
94I29.4Very low29.5Very low145 Ų145122.8 Ų122.874%0.74480%0.796SS**  trans82.8133.7149.8-54.1178.7000120.8
95V27.7Very low29.1Very low149 Ų149125.3 Ų125.390%0.90380%0.803SS**  trans57.6143.5163.5-64.60000125
96G25.6Very low29.9Very low79 Ų79127.6 Ų127.681%0.81481%0.805SS**  trans152.5120.6149.200000114.5
97A27.1Very low29.8Very low108 Ų108122.6 Ų122.689%0.89380%0.797SS**  trans-143.4146.1-179.500000113.4
98A25.2Very low29.7Very low101 Ų101125 Ų12584%0.83580%0.796SS**  trans-174.8154.515200000113.7
99M31.1Very low29.9Very low180 Ų180128.8 Ų128.889%0.88780%0.799SS**  trans-119.3-171.5161.4-72.8-80.2-171.300106.4
100P46.4Very low29.8Very low116 Ų116127.6 Ų127.675%0.75379%0.792SS**  cis-152.6-174.712.248.1-27.5000119.2
101D26.3Very low30Very low146 Ų146126.9 Ų126.978%0.78179%0.786SS**  trans82.9146.8135.1-151.942.9000126.9
102S28.1Very low30Very low104 Ų104129.8 Ų129.873%0.72779%0.785SS**  trans78147.6151.3-86.30000125.2
103G25.4Very low30.4Very low70 Ų70129 Ų12972%0.72278%0.779SS**  trans-110-145.1-179.700000114.3
104P41Very low30.8Very low134 Ų134133.9 Ų133.987%0.8779%0.788SS**  cis-141.1-153.816.944.3-22.8000116.5
105L31.1Very low30.6Very low163 Ų163132.6 Ų132.685%0.85379%0.792SS**  trans-89.1176.4-175.3-46169.3000114.1
106P42.5Very low30.5Very low113 Ų113129.4 Ų129.473%0.73479%0.79SS**  -147.7161.872.534.4-11.7000116.4
107L24.3Very low30.6Very low153 Ų153129.5 Ų129.580%0.80179%0.79SS**  170.2-170.887.4-80173.1000109
108L26.1Very low30.6Very low138 Ų138128.5 Ų128.572%0.72379%0.79SS**  -170.6162.7-64.7-164.764000110.2
109Q29.8Very low31.1Very low172 Ų172127.4 Ų127.480%0.80479%0.789SS**  trans75.5143.3167.5-57.6-171.13.400119.5
110D28.5Very low31.1Very low126 Ų126130.8 Ų130.867%0.67479%0.792SS**  cis-176.9157.3-33.7-120.9-137.1000108
111M32.9Very low30.5Very low138 Ų138137.2 Ų137.268%0.6880%0.801SS**  cis-141.4-136.3-14.8-148.6-155.6-103.100106.9
112N29.4Very low30.6Very low130 Ų130137 Ų13770%0.69581%0.805SS**  cis-143.3-122.10.1-158.4-39000110.9
113K34.1Very low30.6Very low176 Ų176141.6 Ų141.677%0.76581%0.806SS**  trans-151.6148.5-165.2-66.5171.7-177.6170.80115.6
114L33.8Very low31Very low170 Ų170145.2 Ų145.289%0.8981%0.814SS**  -177.9104.8128.4-93.4177.4000106
115S27.1Very low30.4Very low118 Ų118145.4 Ų145.483%0.82580%0.804SS**  101.4113.953.6-172.90000112.3
116G25.3Very low30.9Very low83 Ų83141.3 Ų141.386%0.85680%0.8SS**  trans103.7134.3171.800000115.5
117G27.7Very low30.2Very low80 Ų80139.8 Ų139.883%0.82581%0.805SS**  cis160.7118.9-12.900000115
118G27Very low30.4Very low87 Ų87141.4 Ų141.490%0.89781%0.809SS**  trans80117.2159.600000117.5
119G35.9Very low30.8Very low78 Ų78142.9 Ų142.980%0.80482%0.816SS**  trans-88.5158.4170.700000113.6
120R30.2Very low30.7Very low251 Ų251138.6 Ų138.695%0.94782%0.819SS**  trans-135.4148.3164.7-79.3-167.8168.1-139.7-3.6110.8
121R35.2Very low30.9Very low252 Ų252135.9 Ų135.995%0.95182%0.821SS**PPolyproline II helixtrans-71.4130.1176.8-64.4174.6173.8178.3-4.3110.1
122T28.4Very low30.8Very low141 Ų141136.3 Ų136.387%0.86582%0.821SS**PPolyproline II helixtrans-80.6136.7167.3-33.50000109.7
123R26.4Very low30.9Very low200 Ų200137.9 Ų137.976%0.75582%0.824SS**PPolyproline II helixtrans-78.9138.1-173.4161.8174.3159143.7-11.2111E125R123-E125 IonicContact CZ-OE2 3.61Å; R123-E125 IonicContact NE-OE2 3.91Å; R123-E125 PolarHBondContact NE-OE2 3.28Å; R123-E125 IonicContact NH2-OE2 2.66Å; R123-E125 PolarHBondContact NH2-OE2 3.43Å; R123-E125 PolarHBondContact O-N 3.14Å
124V35Very low31.3Very low146 Ų146138.5 Ų138.589%0.88582%0.822SS**PPolyproline II helixtrans-69.1124.8164171.90000107.9
125E27.5Very low31.8Very low139 Ų139136.1 Ų136.165%0.6581%0.814SS**  trans-136.4151.3168.8-158.3150.8114.800108.2R123 G127R123-E125 IonicContact CZ-OE2 3.61Å; R123-E125 IonicContact NE-OE2 3.91Å; R123-E125 PolarHBondContact NE-OE2 3.28Å; R123-E125 IonicContact NH2-OE2 2.66Å; R123-E125 PolarHBondContact NH2-OE2 3.43Å; R123-E125 PolarHBondContact O-N 3.14Å; E125-G127 PolarHBondContact O-N 3.39Å; E125-G127 VanDerWaalsContact O-N 3.13Å
126G41.2Very low32.3Very low76 Ų76140.9 Ų140.978%0.78481%0.814SS**  trans-66.4109.7-156.400000115.3Q128G126-Q128 PolarHBondContact O-N 3.38Å
127G28.4Very low33Very low81 Ų81145 Ų14584%0.83581%0.811SS**  trans-64.8117.9166.900000110.9E125E125-G127 PolarHBondContact O-N 3.39Å; E125-G127 VanDerWaalsContact O-N 3.13Å
128Q29.1Very low33.6Very low187 Ų187144.8 Ų144.887%0.87481%0.809SS**  trans-71.8159.2-172.4-154.3152.981.400112.2G126 G130G126-Q128 PolarHBondContact O-N 3.38Å; Q128-G130 PolarHBondContact O-N 3.32Å
129L33.3Very low34.5Very low169 Ų169142.7 Ų142.789%0.88578%0.781SS**  trans-42.2120.7-173.8-64.3166.8000113.5G131L129-G131 PolarHBondContact O-N 2.87Å
130G29.3Very low35.1Very low83 Ų83148.1 Ų148.186%0.85678%0.782SS**  trans-67.683.9-17200000114.9Q128Q128-G130 PolarHBondContact O-N 3.32Å
131G32.8Very low36.5Very low69 Ų69137.1 Ų137.171%0.71174%0.743SS**  trans-100-8.9171.100000115L129L129-G131 PolarHBondContact O-N 2.87Å
132E29.6Very low37.5Very low147 Ų147128.2 Ų128.269%0.68771%0.714SS**SBendtrans-102.1-17.5-165.364.4176.5111.800116W134 T135E132-W134 PolarHBondContact O-N 2.91Å; E132-T135 WeakPolarHBondContact O-CB 3.46Å; E132-T135 PolarHBondContact O-N 2.94Å; E132-T135 VanDerWaalsContact O-N 3.12Å; E132-T135 PolarHBondContact O-OG1 3.13Å
133E31.4Very low39.1Very low163 Ų163125.9 Ų125.976%0.76269%0.692SS**G310 helixtrans-65-40-170-164.2173.8110.700113.2T135 R136E133-T135 PolarHBondContact O-N 2.56Å; E133-R136 PolarHBondContact O-N 3.11Å; E133-R136 VanDerWaalsContact O-N 3.09Å
134W42.8Very low40.8Very low188 Ų188118 Ų11871%0.71267%0.667SS**G310 helixtrans-60.2-16.8176.9-74.115000113.7E132 R136 F312 L316E132-W134 PolarHBondContact O-N 2.91Å; W134-R136 VanDerWaalsContact C-N 3.3Å; W134-R136 PolarHBondContact O-N 3.48Å; W134-F312 HydrophobicContact CZ3-CE1 4.49Å; W134-F312 HydrophobicContact CZ3-CZ 4.16Å; W134-L316 HydrophobicContact CE3-CD1 4.2Å; W134-L316 HydrophobicContact CZ3-CD1 4.47Å
135T43.6Very low41.6Very low120 Ų120118.7 Ų118.774%0.73667%0.672SS**G310 helixtrans-77.2-14.4178.5-11.60000113.4E132 E133E132-T135 WeakPolarHBondContact O-CB 3.46Å; E132-T135 PolarHBondContact O-N 2.94Å; E132-T135 VanDerWaalsContact O-N 3.12Å; E132-T135 PolarHBondContact O-OG1 3.13Å; E133-T135 PolarHBondContact O-N 2.56Å
136R37.3Very low43.2Very low218 Ų218123.8 Ų123.882%0.82369%0.685SS**THydrogen-bonded Turntrans-104.3-36.6-179.6-69-174.2-178.9-109.53.7114.1E133 W134E133-R136 PolarHBondContact O-N 3.11Å; E133-R136 VanDerWaalsContact O-N 3.09Å; W134-R136 VanDerWaalsContact C-N 3.3Å; W134-R136 PolarHBondContact O-N 3.48Å
137H40.2Very low44.6Very low169 Ų169121.7 Ų121.778%0.78266%0.663SS**SBendtrans-130.7134.2178.4-74-101.4000111.2
138G40Very low47.1Very low77 Ų77120.2 Ų120.279%0.79463%0.633SS**  trans113.877.6171.600000115.7
139S45.9Very low49.6Very low43 Ų43115 Ų11530%0.30161%0.611SS.*  trans-81.1117160-171.70000108.7V141 K143 E309S139-V141 WeakPolarHBondContact CB-O 3.15Å; S139-V141 PolarHBondContact O-N 3.27Å; S139-V141 PolarHBondContact OG-O 3.17Å; S139-K143 VanDerWaalsContact OG-CE 3.23Å; S139-K143 WeakPolarHBondContact OG-CE 2.89Å; S139-K143 PolarHBondContact OG-NZ 3.35Å; S139-E309 PolarHBondContact OG-OE1 3.19Å
140F49.1Very low52Low191 Ų191108.6 Ų108.684%0.83858%0.576SS**SBendtrans-61.4-25.8178.1173.3-103.8000113.1
141V59.8Low54.9Low21 Ų21108.6 Ų108.613%0.12756%0.561CS.*SBendtrans-104.8135.5173.6-175.80000108.4L58 S139 K143 W148L58-V141 HydrophobicContact CD1-CG1 4.41Å; S139-V141 WeakPolarHBondContact CB-O 3.15Å; S139-V141 PolarHBondContact O-N 3.27Å; S139-V141 PolarHBondContact OG-O 3.17Å; V141-K143 PolarHBondContact O-N 3.4Å; V141-W148 HydrophobicContact CB-CH2 4.13Å; V141-W148 HydrophobicContact CG1-CH2 3.97Å
142N55.8Low57.5Low64 Ų64108.5 Ų108.534%0.34254%0.544SS..  trans-55.2114.7167.4-96.670.2000109.3L58 C59L58-N142 HydrophobicContact CB-CB 3.98Å; L58-N142 HydrophobicContact CD2-CB 3.76Å; L58-N142 HydrophobicContact CG-CB 4.38Å; C59-N142 WeakPolarHBondContact CB-OD1 3.45Å
143K62.3Low60.4Low93 Ų93107.4 Ų107.440%0.40454%0.543SS..  trans-69.2137.9170-78.5165.21791560108.5S139 V141 W148 E309S139-K143 VanDerWaalsContact OG-CE 3.23Å; S139-K143 WeakPolarHBondContact OG-CE 2.89Å; S139-K143 PolarHBondContact OG-NZ 3.35Å; V141-K143 PolarHBondContact O-N 3.4Å; K143-W148 HydrophobicContact CD-CZ2 4.47Å; K143-W148 HydrophobicContact CG-CD2 4.41Å; K143-W148 HydrophobicContact CG-CH2 4.08Å; K143-W148 HydrophobicContact CG-CZ2 3.7Å; K143-E309 VanDerWaalsContact CE-OE1 3.22Å; K143-E309 WeakPolarHBondContact CE-OE1 3.45Å; K143-E309 IonicContact NZ-OE1 2.71Å; K143-E309 PolarHBondContact NZ-OE1 3.21Å; K143-E309 IonicContact NZ-OE2 3.69Å
144P62.3Low63.2Low33 Ų33103.8 Ų103.821%0.21453%0.525CS..  trans-56.5147.5168.6-2031000109.6R146 G147 W148P144-R146 PolarHBondContact O-N 3.47Å; P144-G147 WeakPolarHBondContact CB-O 3.19Å; P144-G147 WeakPolarHBondContact CG-O 3.42Å; P144-G147 PolarHBondContact O-N 2.97Å; P144-W148 HydrophobicContact CG-CE3 4.46Å
145T51Low65.4Low162 Ų16294.9 Ų94.999%0.99449%0.491SS*.THydrogen-bonded Turntrans-59.4-21.1178.844.30000113.3
146R61.1Low67.5Low245 Ų24592.9 Ų92.993%0.92547%0.474SS*.THydrogen-bonded Turntrans-91.21.2175.7-153.9175.6-175.6-178.91.7114.1P144P144-R146 PolarHBondContact O-N 3.47Å
147G70.7Confident70Confident32 Ų3284.8 Ų84.833%0.3346%0.459SS..  trans87.4-172.5-171.800000113.6P144P144-G147 WeakPolarHBondContact CB-O 3.19Å; P144-G147 WeakPolarHBondContact CG-O 3.42Å; P144-G147 PolarHBondContact O-N 2.97Å
148W81.3Confident72.2Confident51 Ų5181.9 Ų81.919%0.19346%0.455CS..  trans-74.4141174.7-68.2137.8000111.1V141 K143 P144 S302 Q306 E309V141-W148 HydrophobicContact CB-CH2 4.13Å; V141-W148 HydrophobicContact CG1-CH2 3.97Å; K143-W148 HydrophobicContact CD-CZ2 4.47Å; K143-W148 HydrophobicContact CG-CD2 4.41Å; K143-W148 HydrophobicContact CG-CH2 4.08Å; K143-W148 HydrophobicContact CG-CZ2 3.7Å; P144-W148 HydrophobicContact CG-CE3 4.46Å; W148-S302 WeakPolarHBondContact CZ3-O 3.44Å; W148-Q306 HydrophobicContact CB-CG 4.3Å; W148-Q306 HydrophobicContact CD2-CB 3.77Å; W148-Q306 HydrophobicContact CD2-CG 3.77Å; W148-Q306 HydrophobicContact CE3-CB 3.75Å; W148-Q306 HydrophobicContact CE3-CG 4.26Å; W148-Q306 HydrophobicContact CG-CB 4.29Å; W148-Q306 HydrophobicContact CG-CG 3.79Å; W148-Q306 HydrophobicContact CH2-CB 4.26Å; W148-Q306 HydrophobicContact CZ2-CB 4.26Å; W148-Q306 HydrophobicContact CZ3-CB 4.01Å; W148-E309 HydrophobicContact CZ2-CB 4.14Å; W148-E309 PolarHBondContact NE1-OE2 3.01Å
149L81.1Confident74.6Confident78 Ų7878.5 Ų78.541%0.40842%0.42SS..SBendtrans-72.4-28.6-175.9-7394.3000114.3D299L149-D299 HydrophobicContact CD2-CB 4.11Å; L149-D299 VanDerWaalsContact CD2-OD1 3.31Å; L149-D299 WeakPolarHBondContact CD2-OD1 3.43Å; L149-D299 WeakPolarHBondContact CD2-OD2 3.36Å
150H85.6Confident76.9Confident34 Ų3476.6 Ų76.616%0.15741%0.406CS..SBendtrans-120.5148.8-175.7-60.2-85.2000111.4K154 V155 V160 Y162 T303 Q306H150-K154 PolarHBondContact ND1-NZ 3.16Å; H150-V155 HydrophobicContact CB-CG2 4.06Å; H150-V160 HydrophobicContact CB-CG2 3.99Å; H150-V160 VanDerWaalsContact CE1-CG1 3.43Å; H150-V160 WeakPolarHBondContact CE1-CG1 3.04Å; H150-Y162 PolarHBondContact NE2-OH 3.48Å; H150-T303 PolarHBondContact CD2-OG1 3.01Å; H150-Q306 PolarHBondContact O-NE2 2.71Å; H150-Q306 PolarHBondContact O-OE1 2.97Å
151P88.4Confident79Confident83 Ų8371.1 Ų71.154%0.53939%0.392SS..  trans-63.8141.8170.527.3-33.7000110.4D153 K154P151-D153 PolarHBondContact O-N 3.37Å; P151-K154 HydrophobicContact CG-CB 4.02Å; P151-K154 WeakPolarHBondContact O-CB 3.44Å; P151-K154 PolarHBondContact O-N 3.08Å; P151-K154 VanDerWaalsContact O-N 3.07Å
152N89.2Confident80.6Confident66 Ų6671 Ų7135%0.35339%0.389SS..Hα-helixtrans-57.6-38.2-172.3-60.5-43.9000112.4K154 V155 M156 Q306 L310N152-K154 VanDerWaalsContact C-N 3.27Å; N152-K154 PolarHBondContact O-N 2.75Å; N152-V155 CarbonylContact O-C 3.59Å; N152-V155 PolarHBondContact O-N 2.77Å; N152-V155 VanDerWaalsContact O-N 3.07Å; N152-M156 HydrophobicContact CB-SD 4.4Å; N152-M156 WeakPolarHBondContact O-CB 3.39Å; N152-M156 WeakPolarHBondContact O-CG 3.36Å; N152-M156 PolarHBondContact O-N 2.92Å; N152-Q306 PolarHBondContact OD1-NE2 2.93Å; N152-L310 HydrophobicContact CB-CD1 3.81Å; N152-L310 HydrophobicContact CB-CD2 3.9Å
153D88.8Confident82.4Confident124 Ų12473.1 Ų73.166%0.66340%0.4SS*.Hα-helixtrans-61.2-33.5-179.6-50.3-93.9000112.5P151 M156 G157P151-D153 PolarHBondContact O-N 3.37Å; D153-M156 PolarHBondContact O-N 2.79Å; D153-G157 PolarHBondContact O-N 3.2Å
154K90.5Very high83.9Confident88 Ų8868.9 Ų68.938%0.38338%0.382SS..Hα-helixtrans-69.2-39.9174.6-174.1-177.3175.7-165.60111.2H150 P151 N152 G159 V160H150-K154 PolarHBondContact ND1-NZ 3.16Å; P151-K154 HydrophobicContact CG-CB 4.02Å; P151-K154 WeakPolarHBondContact O-CB 3.44Å; P151-K154 PolarHBondContact O-N 3.08Å; P151-K154 VanDerWaalsContact O-N 3.07Å; N152-K154 VanDerWaalsContact C-N 3.27Å; N152-K154 PolarHBondContact O-N 2.75Å; K154-G159 CarbonylContact O-C 3.47Å; K154-G159 WeakPolarHBondContact O-CA 3.37Å; K154-G159 PolarHBondContact O-N 3.15Å; K154-V160 HydrophobicContact CD-CG2 4.15Å; K154-V160 HydrophobicContact CG-CG2 4.2Å
155V89.4Confident85.4Confident0 Ų072.3 Ų72.30%039%0.39CS..Hα-helixtrans-73.4-31.5177.2-172.60000111.7H150 N152 V160 S237 T238 T303 A307 L310H150-V155 HydrophobicContact CB-CG2 4.06Å; N152-V155 CarbonylContact O-C 3.59Å; N152-V155 PolarHBondContact O-N 2.77Å; N152-V155 VanDerWaalsContact O-N 3.07Å; V155-V160 HydrophobicContact CG2-CG2 4.03Å; V155-S237 CarbonylContact O-C 3.53Å; V155-S237 WeakPolarHBondContact O-CA 3.33Å; V155-T238 HydrophobicContact CG1-CG2 4.3Å; V155-T238 PolarHBondContact O-N 2.89Å; V155-T303 HydrophobicContact CG2-CG2 4.42Å; V155-A307 HydrophobicContact CG1-CB 3.67Å; V155-L310 HydrophobicContact CB-CD1 4.02Å; V155-L310 HydrophobicContact CG1-CD1 4.19Å
156M88.4Confident87.4Confident79 Ų7965 Ų6539%0.38935%0.345SS..Hα-helixtrans-81.9-28.4178.3-75.31695300114.1N152 D153 T238 L310N152-M156 HydrophobicContact CB-SD 4.4Å; N152-M156 WeakPolarHBondContact O-CB 3.39Å; N152-M156 WeakPolarHBondContact O-CG 3.36Å; N152-M156 PolarHBondContact O-N 2.92Å; D153-M156 PolarHBondContact O-N 2.79Å; M156-T238 HydrophobicContact CB-CG2 4.47Å; M156-T238 HydrophobicContact CG-CG2 3.69Å; M156-L310 HydrophobicContact CG-CD1 4.22Å; M156-L310 HydrophobicContact SD-CD1 4.43Å; M156-L310 HydrophobicContact SD-CD2 4.3Å
157G88.4Confident88.9Confident48 Ų4853.4 Ų53.450%0.49530%0.301SS..THydrogen-bonded Turntrans-94-108.6177.900000112.8D153 G159D153-G157 PolarHBondContact O-N 3.2Å; G157-G159 PolarHBondContact O-N 3.22Å
158P87.1Confident89.9Confident108 Ų10851.9 Ų51.970%0.70129%0.285SS*.THydrogen-bonded Turntrans-70.1-15.5-173.830.7-37.1000114.2T235P158-T235 WeakPolarHBondContact O-CG2 3.14Å
159G91Very high90.4Very high6 Ų649.5 Ų49.56%0.06228%0.277CS..  trans83.4179.8-171.300000113.5K154 G157 V236K154-G159 CarbonylContact O-C 3.47Å; K154-G159 WeakPolarHBondContact O-CA 3.37Å; K154-G159 PolarHBondContact O-N 3.15Å; G157-G159 PolarHBondContact O-N 3.22Å; G159-V236 CarbonylContact C-O 3.57Å; G159-V236 WeakPolarHBondContact CA-O 3.4Å
160V93.8Very high91Very high3 Ų345.9 Ų45.92%0.01826%0.257CS..EExtended strand (participates in β ladder)trans-112.3122.7175.4-176.70000108.9H150 K154 V155 Y162 T235 V236 T303H150-V160 HydrophobicContact CB-CG2 3.99Å; H150-V160 VanDerWaalsContact CE1-CG1 3.43Å; H150-V160 WeakPolarHBondContact CE1-CG1 3.04Å; K154-V160 HydrophobicContact CD-CG2 4.15Å; K154-V160 HydrophobicContact CG-CG2 4.2Å; V155-V160 HydrophobicContact CG2-CG2 4.03Å; V160-Y162 HydrophobicContact CB-CE2 4.09Å; V160-Y162 HydrophobicContact CG1-CD2 4.06Å; V160-Y162 HydrophobicContact CG1-CE2 3.4Å; V160-Y162 VanDerWaalsContact CG1-CE2 3.4Å; V160-T235 WeakPolarHBondContact O-CA 3.42Å; V160-V236 PolarHBondContact N-O 3.25Å; V160-V236 PolarHBondContact O-N 3.45Å; V160-T303 HydrophobicContact CB-CG2 4.03Å; V160-T303 HydrophobicContact CG2-CG2 3.91Å
161S93.6Very high91.3Very high75 Ų7547.6 Ų47.652%0.52427%0.266SS..EExtended strand (participates in β ladder)trans-97.6134.8-179.4-54.50000112.1L234 T235S161-L234 CarbonylContact C-O 3.57Å; S161-L234 VanDerWaalsContact CA-O 3.32Å; S161-L234 WeakPolarHBondContact CA-O 3.45Å; S161-T235 PolarHBondContact OG-OG1 3.21Å
162Y94Very high91.6Very high19 Ų1943.8 Ų43.88%0.07524%0.241CC..EExtended strand (participates in β ladder)trans-126.9139.2177.8-69.5-90.4000110.1H150 V160 T233 L234 V236 L296 D299 V300 T303H150-Y162 PolarHBondContact NE2-OH 3.48Å; V160-Y162 HydrophobicContact CB-CE2 4.09Å; V160-Y162 HydrophobicContact CG1-CD2 4.06Å; V160-Y162 HydrophobicContact CG1-CE2 3.4Å; V160-Y162 VanDerWaalsContact CG1-CE2 3.4Å; Y162-T233 CarbonylContact O-C 3.46Å; Y162-T233 WeakPolarHBondContact O-CA 3.49Å; Y162-L234 PolarHBondContact N-O 3.36Å; Y162-L234 PolarHBondContact O-N 3.42Å; Y162-V236 HydrophobicContact CD2-CG2 4.32Å; Y162-V236 HydrophobicContact CE2-CG2 4.43Å; Y162-L296 HydrophobicContact CD1-CD2 4.36Å; Y162-L296 HydrophobicContact CE1-CD2 4.35Å; Y162-D299 HydrophobicContact CE1-CB 3.94Å; Y162-D299 PolarHBondContact OH-O 2.57Å; Y162-V300 HydrophobicContact CD1-CG2 3.66Å; Y162-V300 HydrophobicContact CD2-CG2 3.83Å; Y162-V300 HydrophobicContact CE1-CG2 3.94Å; Y162-V300 HydrophobicContact CE2-CG2 4.1Å; Y162-V300 HydrophobicContact CG-CG2 3.59Å; Y162-T303 HydrophobicContact CE2-CG2 4.43Å; Y162-T303 PolarHBondContact OH-OG1 3.03Å
163L93.1Very high91.6Very high109 Ų10945.7 Ų45.757%0.57125%0.25SS*.EExtended strand (participates in β ladder)trans-89.7114.1170.8-173.667000109.1A246L163-A246 HydrophobicContact CD1-CB 3.93Å
164V93.8Very high91.6Very high4 Ų443.4 Ų43.42%0.02424%0.236CC..EExtended strand (participates in β ladder)trans-139.5163.7-175-57.10000109.7I232 L234 L290 C292V164-I232 HydrophobicContact CG2-CD1 4.04Å; V164-I232 HydrophobicContact CG2-CG1 3.65Å; V164-I232 PolarHBondContact N-O 3.18Å; V164-I232 WeakPolarHBondContact O-CG1 3.16Å; V164-I232 PolarHBondContact O-N 3.49Å; V164-L234 HydrophobicContact CG2-CB 3.84Å; V164-L290 HydrophobicContact CG2-CB 4.49Å; V164-L290 HydrophobicContact CG2-CD1 4.33Å; V164-L290 HydrophobicContact CG2-CD2 4.26Å; V164-C292 HydrophobicContact CG1-CB 4.32Å; V164-C292 VanDerWaalsContact CG1-SG 3.54Å
165R92.9Very high91.5Very high104 Ų10441.5 Ų41.539%0.39223%0.233SC..EExtended strand (participates in β ladder)trans-100.3130.1174.2-171.3-169.1-53.3-79.2-0.3110.5M167 G229 M230 L290 E291R165-M167 HydrophobicContact CG-SD 4.25Å; R165-M167 PolarHBondContact O-N 3.43Å; R165-G229 VanDerWaalsContact CD-O 3.32Å; R165-G229 WeakPolarHBondContact CD-O 3.36Å; R165-G229 VanDerWaalsContact CG-C 3.47Å; R165-G229 VanDerWaalsContact CG-O 3.25Å; R165-G229 WeakPolarHBondContact CG-O 3.25Å; R165-G229 PolarHBondContact NH1-O 3.06Å; R165-M230 WeakPolarHBondContact CA-O 3.37Å; R165-M230 WeakPolarHBondContact CG-O 3.44Å; R165-L290 CarbonylContact O-C 3.54Å; R165-L290 WeakPolarHBondContact O-CA 3.28Å; R165-E291 HydrophobicContact CB-CB 4.18Å; R165-E291 VanDerWaalsContact CD-OE2 3.29Å; R165-E291 WeakPolarHBondContact CD-OE2 3.3Å; R165-E291 IonicContact CZ-OE2 3.76Å; R165-E291 PolarHBondContact N-O 2.84Å; R165-E291 IonicContact NE-OE2 2.74Å; R165-E291 PolarHBondContact NE-OE2 2.76Å; R165-E291 IonicContact NH2-OE2 3.72Å; R165-E291 PolarHBondContact O-N 2.83Å
166Y93.5Very high91.5Very high9 Ų941.6 Ų41.64%0.03523%0.234CC..EExtended strand (participates in β ladder)trans-78.8119.7173.5-171.3-109.2000109.9F227 A228 G229 M230 I232 L243 H288 L290Y166-F227 HydrophobicContact CD1-CB 4.02Å; Y166-F227 HydrophobicContact CE1-CB 4.32Å; Y166-A228 CarbonylContact O-C 3.53Å; Y166-A228 WeakPolarHBondContact O-CA 3.45Å; Y166-G229 PolarHBondContact O-N 2.57Å; Y166-M230 PolarHBondContact N-O 2.59Å; Y166-I232 HydrophobicContact CD2-CD1 4.33Å; Y166-L243 HydrophobicContact CD2-CD2 3.64Å; Y166-L243 HydrophobicContact CE2-CD2 3.62Å; Y166-H288 HydrophobicContact CE2-CB 4.28Å; Y166-H288 AromaticContact CZ-ND1 3.93Å; Y166-H288 PolarHBondContact OH-ND1 2.79Å; Y166-L290 HydrophobicContact CD2-CD2 3.73Å; Y166-L290 HydrophobicContact CE2-CD2 4.48Å
167M92.2Very high91.4Very high1 Ų146.6 Ų46.61%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-90.9-5.7-178.9-61.5-55.5-62.500113.2R165 V195 V199 A202 A228 Y273 I289 E291R165-M167 HydrophobicContact CG-SD 4.25Å; R165-M167 PolarHBondContact O-N 3.43Å; M167-V195 HydrophobicContact CB-CB 4.46Å; M167-V195 HydrophobicContact CB-CG2 3.88Å; M167-V199 HydrophobicContact CE-CB 3.88Å; M167-V199 HydrophobicContact CE-CG1 3.74Å; M167-V199 HydrophobicContact CE-CG2 4.26Å; M167-A202 HydrophobicContact CE-CB 3.57Å; M167-A228 VanDerWaalsContact O-CB 3.31Å; M167-A228 WeakPolarHBondContact O-CB 3.21Å; M167-Y273 HydrophobicContact CE-CE1 4.49Å; M167-Y273 HydrophobicContact CG-CD1 4.38Å; M167-Y273 HydrophobicContact CG-CE1 4.15Å; M167-I289 HydrophobicContact CB-CB 4.24Å; M167-I289 HydrophobicContact CB-CG2 3.97Å; M167-I289 WeakPolarHBondContact CB-O 3.49Å; M167-I289 HydrophobicContact CG-CG2 4.27Å; M167-I289 PolarHBondContact N-O 2.66Å; M167-E291 HydrophobicContact CG-CB 4.02Å; M167-E291 HydrophobicContact SD-CB 3.91Å
168G92.2Very high91.3Very high0 Ų047.9 Ų47.90%025%0.254CS..EExtended strand (participates in β ladder)trans108.4-167.2-171.800000112.2N224 I289G168-N224 WeakPolarHBondContact CA-O 3.37Å; G168-I289 PolarHBondContact O-N 2.74Å; G168-I289 VanDerWaalsContact O-N 3.09Å
169C92.3Very high91.4Very high2 Ų243.4 Ų43.41%0.01422%0.224CC..EExtended strand (participates in β ladder)trans-140.4158.2171.359.70000112.4S223 N224 A286 C287 H288C169-S223 CarbonylContact O-C 3.57Å; C169-S223 WeakPolarHBondContact O-CA 3.19Å; C169-N224 PolarHBondContact N-O 3.49Å; C169-N224 VanDerWaalsContact N-O 3.07Å; C169-N224 PolarHBondContact O-N 2.85Å; C169-A286 HydrophobicContact CB-CB 4.15Å; C169-C287 CarbonylContact C-O 3.56Å; C169-C287 WeakPolarHBondContact CA-O 3.46Å; C169-C287 WeakPolarHBondContact CB-O 3.22Å; C169-H288 HydrophobicContact CB-CB 4.33Å; C169-H288 WeakPolarHBondContact CB-ND1 3.45Å
170V93.3Very high91.3Very high1 Ų146.6 Ų46.61%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-118.8127.4174.2-170.90000108.3A191 V195 L220 A286 C287 I289V170-A191 HydrophobicContact CB-CB 4.22Å; V170-A191 HydrophobicContact CG2-CB 4.08Å; V170-V195 HydrophobicContact CG2-CG1 3.78Å; V170-L220 HydrophobicContact CB-CD2 4.5Å; V170-L220 HydrophobicContact CG1-CB 4.26Å; V170-L220 HydrophobicContact CG1-CD2 3.98Å; V170-A286 CarbonylContact O-C 3.49Å; V170-A286 WeakPolarHBondContact O-CA 3.32Å; V170-C287 PolarHBondContact N-O 3.15Å; V170-C287 PolarHBondContact O-N 3.01Å; V170-I289 HydrophobicContact CG2-CD1 4.23Å
171E92.4Very high90.9Very high70 Ų7053 Ų5333%0.32727%0.268SS..EExtended strand (participates in β ladder)trans-55.8139.1174.4179.5178.6-141.500110.9L173 G221 R222E171-L173 HydrophobicContact CG-CD2 3.93Å; E171-G221 PolarHBondContact O-N 2.97Å; E171-R222 WeakPolarHBondContact CB-O 3.48Å; E171-R222 PolarHBondContact N-O 2.82Å; E171-R222 PolarHBondContact OE2-N 3.47Å
172V93.1Very high90.7Very high3 Ų354.3 Ų54.32%0.01827%0.269CS..EExtended strand (participates in β ladder)trans-122.8110.8176.6-170.20000108.5M176 I219 L220 V277 R285 C287V172-M176 HydrophobicContact CG1-SD 4.34Å; V172-I219 CarbonylContact C-O 3.57Å; V172-I219 WeakPolarHBondContact CA-O 3.45Å; V172-I219 HydrophobicContact CG1-CG2 4.04Å; V172-L220 HydrophobicContact CG2-CD2 4.16Å; V172-V277 HydrophobicContact CG2-CG1 4.28Å; V172-R285 HydrophobicContact CB-CG 4.12Å; V172-R285 PolarHBondContact N-O 3.33Å; V172-R285 WeakPolarHBondContact O-CB 3.38Å; V172-R285 VanDerWaalsContact O-CD 3.24Å; V172-R285 WeakPolarHBondContact O-CD 3.4Å; V172-R285 WeakPolarHBondContact O-CG 3.35Å; V172-C287 HydrophobicContact CG2-CB 3.79Å
173L90.9Very high90.5Very high106 Ų10654.9 Ų54.956%0.55528%0.275SS*.  trans-75.2-31.6-172.3-57176.2000112.1E171 I219E171-L173 HydrophobicContact CG-CD2 3.93Å; L173-I219 PolarHBondContact N-O 2.92Å
174Q87.9Confident90.4Very high77 Ų7752.8 Ų52.836%0.3626%0.259SS..SBendtrans-99.5151.3-178.2-163.2166.6-4.600112.5M176 L179 I219 R285Q174-M176 PolarHBondContact O-N 3.35Å; Q174-L179 HydrophobicContact CG-CD2 4.28Å; Q174-L179 HydrophobicContact CG-CG 4.46Å; Q174-I219 HydrophobicContact CB-CG2 4.27Å; Q174-R285 VanDerWaalsContact O-CD 3.29Å; Q174-R285 WeakPolarHBondContact O-CD 3.48Å
175S88.9Confident90.2Very high47 Ų4754.8 Ų54.833%0.32927%0.272SS..  trans-72.1121.1175-175.30000111R177 A178S175-R177 PolarHBondContact O-N 3.5Å; S175-A178 WeakPolarHBondContact O-CB 3.44Å; S175-A178 PolarHBondContact O-N 2.79Å
176M88.4Confident90Very high2 Ų253.2 Ų53.21%0.0127%0.269CS..THydrogen-bonded Turntrans-53.4-26.8175.8-65.3-62-83.800113.2V172 Q174 A178 L179 R184 V187 F262 V277V172-M176 HydrophobicContact CG1-SD 4.34Å; Q174-M176 PolarHBondContact O-N 3.35Å; M176-A178 VanDerWaalsContact C-N 3.31Å; M176-A178 PolarHBondContact O-N 3.07Å; M176-L179 PolarHBondContact O-N 3.27Å; M176-L179 HydrophobicContact SD-CD1 4.1Å; M176-R184 HydrophobicContact CE-CB 3.71Å; M176-R184 HydrophobicContact CE-CG 3.74Å; M176-R184 PolarHBondContact O-NE 2.79Å; M176-R184 PolarHBondContact O-NH2 3.02Å; M176-R184 HydrophobicContact SD-CG 4.44Å; M176-V187 HydrophobicContact SD-CG1 4.37Å; M176-F262 HydrophobicContact CB-CB 4.27Å; M176-F262 HydrophobicContact CE-CB 3.77Å; M176-F262 HydrophobicContact CE-CD1 3.39Å; M176-F262 HydrophobicContact CE-CE1 4.1Å; M176-F262 HydrophobicContact CE-CG 3.68Å; M176-F262 HydrophobicContact CG-CB 4.23Å; M176-V277 HydrophobicContact CE-CG2 3.89Å; M176-V277 HydrophobicContact CG-CB 3.99Å; M176-V277 HydrophobicContact CG-CG1 3.79Å; M176-V277 HydrophobicContact CG-CG2 4.02Å; M176-V277 HydrophobicContact SD-CG2 4.16Å
177R86.3Confident89.9Confident184 Ų18452.8 Ų52.869%0.69427%0.267SS*.THydrogen-bonded Turntrans-69.2-26177.2-62.8-173.2-174.9-81.5-2.9113.5S175S175-R177 PolarHBondContact O-N 3.5Å
178A86.8Confident89.9Confident75 Ų7552.9 Ų52.962%0.6227%0.267SS*.THydrogen-bonded Turntrans-85.2-24178.300000112.9S175 M176S175-A178 WeakPolarHBondContact O-CB 3.44Å; S175-A178 PolarHBondContact O-N 2.79Å; M176-A178 VanDerWaalsContact C-N 3.31Å; M176-A178 PolarHBondContact O-N 3.07Å
179L88.3Confident89.7Confident14 Ų1458.5 Ų58.57%0.07329%0.289CS..SBendtrans-77.5150.2174.7-60.4175.9000110.9Q174 M176 T183 R184 V187 I219Q174-L179 HydrophobicContact CG-CD2 4.28Å; Q174-L179 HydrophobicContact CG-CG 4.46Å; M176-L179 PolarHBondContact O-N 3.27Å; M176-L179 HydrophobicContact SD-CD1 4.1Å; L179-T183 HydrophobicContact CD1-CG2 4.37Å; L179-T183 HydrophobicContact CD2-CG2 4.06Å; L179-R184 HydrophobicContact CB-CG 4.01Å; L179-R184 PolarHBondContact O-NE 3.5Å; L179-R184 PolarHBondContact O-NH2 2.95Å; L179-V187 HydrophobicContact CD1-CG2 4.32Å; L179-I219 HydrophobicContact CD1-CD1 4.28Å; L179-I219 HydrophobicContact CD1-CG2 3.92Å; L179-I219 HydrophobicContact CD2-CD1 3.94Å
180D89.4Confident89.6Confident73 Ų7360 Ų6039%0.3930%0.295SS..  trans-74.6167.817070.7-80.1000112N182 T183 R184D180-N182 PolarHBondContact O-N 3.04Å; D180-N182 WeakPolarHBondContact OD2-CA 3.33Å; D180-N182 VanDerWaalsContact OD2-CB 3.27Å; D180-N182 WeakPolarHBondContact OD2-CB 3.35Å; D180-N182 PolarHBondContact OD2-N 3.5Å; D180-T183 PolarHBondContact O-N 2.8Å; D180-T183 WeakPolarHBondContact OD1-CB 3.28Å; D180-T183 PolarHBondContact OD1-OG1 3.07Å; D180-T183 PolarHBondContact OD2-N 2.81Å; D180-R184 WeakPolarHBondContact O-CG 3.37Å; D180-R184 PolarHBondContact O-N 3.04Å
181F86.4Confident89.5Confident139 Ų13960 Ų6061%0.6130%0.295SS*.Hα-helixtrans-65.2-34.6-175.8-179.1-97.3000114.3T185 F262F181-T185 PolarHBondContact O-N 2.81Å; F181-T185 VanDerWaalsContact O-N 3.17Å; F181-T185 PolarHBondContact O-OG1 2.86Å; F181-F262 HydrophobicContact CD2-CE2 4.38Å; F181-F262 HydrophobicContact CE2-CE2 4.28Å; F181-F262 HydrophobicContact CE2-CZ 4.43Å
182N89.3Confident89.4Confident101 Ų10156.7 Ų56.754%0.5428%0.28SS..Hα-helixtrans-69.5-48.9178.4-173.63.4000109.6D180 R184 T185 Q186D180-N182 PolarHBondContact O-N 3.04Å; D180-N182 WeakPolarHBondContact OD2-CA 3.33Å; D180-N182 VanDerWaalsContact OD2-CB 3.27Å; D180-N182 WeakPolarHBondContact OD2-CB 3.35Å; D180-N182 PolarHBondContact OD2-N 3.5Å; N182-R184 PolarHBondContact O-N 3.04Å; N182-T185 PolarHBondContact O-N 2.63Å; N182-T185 VanDerWaalsContact O-N 3.09Å; N182-Q186 WeakPolarHBondContact O-CG 3.3Å; N182-Q186 PolarHBondContact O-N 3.4Å; N182-Q186 PolarHBondContact OD1-NE2 3.06Å
183T90.3Very high89.2Confident32 Ų3259.4 Ų59.420%0.19630%0.299CS..Hα-helixtrans-60.9-40.5175.4-56.80000112.1L179 D180 T185 Q186 V187 I219L179-T183 HydrophobicContact CD1-CG2 4.37Å; L179-T183 HydrophobicContact CD2-CG2 4.06Å; D180-T183 PolarHBondContact O-N 2.8Å; D180-T183 WeakPolarHBondContact OD1-CB 3.28Å; D180-T183 PolarHBondContact OD1-OG1 3.07Å; D180-T183 PolarHBondContact OD2-N 2.81Å; T183-T185 VanDerWaalsContact C-N 3.27Å; T183-T185 PolarHBondContact O-N 3.28Å; T183-Q186 PolarHBondContact O-N 3.31Å; T183-V187 HydrophobicContact CG2-CG2 4.17Å; T183-V187 WeakPolarHBondContact O-CB 3.2Å; T183-V187 WeakPolarHBondContact O-CG2 3.45Å; T183-V187 PolarHBondContact O-N 2.86Å; T183-I219 HydrophobicContact CG2-CD1 3.94Å
184R90.3Very high89.1Confident65 Ų6556.8 Ų56.825%0.24529%0.285CS..Hα-helixtrans-55.9-42173.4-71.1169.7-154.6179.40.8112.5M176 L179 D180 N182 V187 T188 F262M176-R184 HydrophobicContact CE-CB 3.71Å; M176-R184 HydrophobicContact CE-CG 3.74Å; M176-R184 PolarHBondContact O-NE 2.79Å; M176-R184 PolarHBondContact O-NH2 3.02Å; M176-R184 HydrophobicContact SD-CG 4.44Å; L179-R184 HydrophobicContact CB-CG 4.01Å; L179-R184 PolarHBondContact O-NE 3.5Å; L179-R184 PolarHBondContact O-NH2 2.95Å; D180-R184 WeakPolarHBondContact O-CG 3.37Å; D180-R184 PolarHBondContact O-N 3.04Å; N182-R184 PolarHBondContact O-N 3.04Å; R184-V187 PolarHBondContact O-N 3.32Å; R184-T188 PolarHBondContact O-N 3.1Å; R184-T188 VanDerWaalsContact O-N 3.09Å; R184-T188 PolarHBondContact O-OG1 2.82Å; R184-F262 HydrophobicContact CB-CD1 4.35Å; R184-F262 HydrophobicContact CB-CD2 4.42Å; R184-F262 HydrophobicContact CB-CE1 3.92Å; R184-F262 HydrophobicContact CB-CE2 4.01Å; R184-F262 HydrophobicContact CB-CZ 3.74Å
185T89.4Confident89.1Confident46 Ų4653.1 Ų53.128%0.28227%0.268SS..Hα-helixtrans-73.5-33.5-179.7-52.30000111.9F181 N182 T183 T188 R189F181-T185 PolarHBondContact O-N 2.81Å; F181-T185 VanDerWaalsContact O-N 3.17Å; F181-T185 PolarHBondContact O-OG1 2.86Å; N182-T185 PolarHBondContact O-N 2.63Å; N182-T185 VanDerWaalsContact O-N 3.09Å; T183-T185 VanDerWaalsContact C-N 3.27Å; T183-T185 PolarHBondContact O-N 3.28Å; T185-T188 PolarHBondContact O-OG1 3.41Å; T185-R189 VanDerWaalsContact O-CB 3.29Å; T185-R189 WeakPolarHBondContact O-CB 3.4Å; T185-R189 PolarHBondContact O-N 2.87Å; T185-R189 VanDerWaalsContact O-N 3.1Å
186Q88.9Confident89Confident71 Ų7151.1 Ų51.133%0.33225%0.254SS..Hα-helixtrans-68.5-39.7171.1-68.5176.945.300111.8N182 T183 R189 E190 L216N182-Q186 WeakPolarHBondContact O-CG 3.3Å; N182-Q186 PolarHBondContact O-N 3.4Å; N182-Q186 PolarHBondContact OD1-NE2 3.06Å; T183-Q186 PolarHBondContact O-N 3.31Å; Q186-R189 PolarHBondContact O-N 3.49Å; Q186-E190 VanDerWaalsContact O-CB 3.3Å; Q186-E190 WeakPolarHBondContact O-CB 3.23Å; Q186-E190 PolarHBondContact O-N 2.84Å; Q186-L216 HydrophobicContact CB-CD1 4.26Å
187V91.3Very high88.9Confident0 Ų058.5 Ų58.50%029%0.289CS..Hα-helixtrans-63.5-42.9176.8168.10000111.7M176 L179 T183 R184 A191 L216 I219 L220M176-V187 HydrophobicContact SD-CG1 4.37Å; L179-V187 HydrophobicContact CD1-CG2 4.32Å; T183-V187 HydrophobicContact CG2-CG2 4.17Å; T183-V187 WeakPolarHBondContact O-CB 3.2Å; T183-V187 WeakPolarHBondContact O-CG2 3.45Å; T183-V187 PolarHBondContact O-N 2.86Å; R184-V187 PolarHBondContact O-N 3.32Å; V187-A191 VanDerWaalsContact O-CB 3.29Å; V187-A191 WeakPolarHBondContact O-CB 3.16Å; V187-A191 PolarHBondContact O-N 2.95Å; V187-L216 HydrophobicContact CG2-CD2 3.96Å; V187-I219 HydrophobicContact CG1-CG2 4.12Å; V187-I219 HydrophobicContact CG2-CB 4.34Å; V187-I219 HydrophobicContact CG2-CD1 4.13Å; V187-I219 HydrophobicContact CG2-CG2 3.72Å; V187-L220 HydrophobicContact CG1-CD2 3.81Å; V187-L220 HydrophobicContact CG1-CG 4.25Å
188T91.3Very high88.9Confident2 Ų252 Ų521%0.01227%0.274CS..Hα-helixtrans-69.2-42.1175.449.80000112.4R184 T185 A191 I192 F262 S264 A275R184-T188 PolarHBondContact O-N 3.1Å; R184-T188 VanDerWaalsContact O-N 3.09Å; R184-T188 PolarHBondContact O-OG1 2.82Å; T185-T188 PolarHBondContact O-OG1 3.41Å; T188-A191 PolarHBondContact O-N 2.82Å; T188-I192 VanDerWaalsContact O-CG1 3.3Å; T188-I192 WeakPolarHBondContact O-CG1 3.23Å; T188-I192 PolarHBondContact O-N 2.83Å; T188-F262 HydrophobicContact CG2-CD1 3.84Å; T188-F262 HydrophobicContact CG2-CE1 3.82Å; T188-S264 WeakPolarHBondContact CB-OG 3.13Å; T188-S264 PolarHBondContact OG1-OG 2.81Å; T188-A275 HydrophobicContact CG2-CB 4.01Å
189R88.8Confident88.8Confident118 Ų11849 Ų4945%0.44525%0.248SC..Hα-helixtrans-56.7-48.7173.1168.3-175.7-99.9156.7-11.6112.6T185 Q186 I192 S193 D267T185-R189 VanDerWaalsContact O-CB 3.29Å; T185-R189 WeakPolarHBondContact O-CB 3.4Å; T185-R189 PolarHBondContact O-N 2.87Å; T185-R189 VanDerWaalsContact O-N 3.1Å; Q186-R189 PolarHBondContact O-N 3.49Å; R189-I192 PolarHBondContact O-N 2.99Å; R189-S193 PolarHBondContact O-N 2.8Å; R189-D267 IonicContact CZ-OD1 3.16Å; R189-D267 IonicContact NE-OD1 3.83Å; R189-D267 PolarHBondContact NE-OD1 2.83Å; R189-D267 IonicContact NH2-OD1 3.52Å; R189-D267 PolarHBondContact NH2-OD1 3Å
190E89.3Confident88.2Confident34 Ų3454.3 Ų54.316%0.15928%0.284CS..Hα-helixtrans-65.4-40.1180-168.779-167.300110.7Q186 S193 L194 C212 L216 L220Q186-E190 VanDerWaalsContact O-CB 3.3Å; Q186-E190 WeakPolarHBondContact O-CB 3.23Å; Q186-E190 PolarHBondContact O-N 2.84Å; E190-S193 PolarHBondContact O-N 2.83Å; E190-L194 HydrophobicContact CG-CD1 4.43Å; E190-L194 WeakPolarHBondContact O-CB 3.42Å; E190-L194 WeakPolarHBondContact O-CG 3.43Å; E190-L194 PolarHBondContact O-N 3.45Å; E190-C212 WeakPolarHBondContact OE1-CA 3.41Å; E190-C212 WeakPolarHBondContact OE1-CB 3.35Å; E190-C212 PolarHBondContact OE1-SG 3.18Å; E190-L216 HydrophobicContact CB-CD1 3.72Å; E190-L216 HydrophobicContact CG-CB 4.4Å; E190-L216 HydrophobicContact CG-CD1 3.86Å; E190-L220 HydrophobicContact CB-CD1 3.83Å; E190-L220 HydrophobicContact CG-CD1 3.82Å
191A91.6Very high87.5Confident0 Ų054.6 Ų54.60%030%0.304CS..Hα-helixtrans-63.5-41.1175.100000112.8V170 V187 T188 L194 V195 L220 C287 I289V170-A191 HydrophobicContact CB-CB 4.22Å; V170-A191 HydrophobicContact CG2-CB 4.08Å; V187-A191 VanDerWaalsContact O-CB 3.29Å; V187-A191 WeakPolarHBondContact O-CB 3.16Å; V187-A191 PolarHBondContact O-N 2.95Å; T188-A191 PolarHBondContact O-N 2.82Å; A191-L194 PolarHBondContact O-N 3.38Å; A191-V195 PolarHBondContact O-N 2.84Å; A191-V195 VanDerWaalsContact O-N 3.16Å; A191-L220 HydrophobicContact CB-CD1 4.27Å; A191-L220 HydrophobicContact CB-CD2 4.07Å; A191-C287 HydrophobicContact CB-CB 4.38Å; A191-I289 VanDerWaalsContact C-CD1 3.5Å; A191-I289 HydrophobicContact CB-CD1 3.96Å; A191-I289 VanDerWaalsContact O-CD1 3.3Å; A191-I289 WeakPolarHBondContact O-CD1 3.49Å
192I91.1Very high87Confident1 Ų148.3 Ų48.31%0.00528%0.277CS..Hα-helixtrans-59.4-47.7171.6-68.1162.6000110T188 R189 L194 V195 C196 T270 Y273 A275 I289T188-I192 VanDerWaalsContact O-CG1 3.3Å; T188-I192 WeakPolarHBondContact O-CG1 3.23Å; T188-I192 PolarHBondContact O-N 2.83Å; R189-I192 PolarHBondContact O-N 2.99Å; I192-L194 VanDerWaalsContact C-N 3.32Å; I192-L194 PolarHBondContact O-N 2.78Å; I192-V195 WeakPolarHBondContact O-CG2 3.45Å; I192-V195 PolarHBondContact O-N 2.88Å; I192-C196 WeakPolarHBondContact O-CB 3.49Å; I192-C196 PolarHBondContact O-N 2.87Å; I192-C196 PolarHBondContact O-SG 2.94Å; I192-T270 HydrophobicContact CG2-CG2 4.42Å; I192-Y273 HydrophobicContact CG2-CD1 4.26Å; I192-Y273 HydrophobicContact CG2-CD2 4.28Å; I192-Y273 HydrophobicContact CG2-CG 3.88Å; I192-A275 HydrophobicContact CD1-CB 3.96Å; I192-A275 HydrophobicContact CG1-CB 4.09Å; I192-I289 HydrophobicContact CG1-CG1 4.18Å; I192-I289 HydrophobicContact CG1-CG2 3.97Å
193S87.9Confident86Confident60 Ų6048.5 Ų48.542%0.4227%0.274SS..Hα-helixtrans-59.9-41.1178.7-163.40000112.4R189 E190 C196 E197R189-S193 PolarHBondContact O-N 2.8Å; E190-S193 PolarHBondContact O-N 2.83Å; S193-C196 PolarHBondContact O-N 3.13Å; S193-E197 PolarHBondContact O-N 3.08Å
194L88.6Confident84.6Confident51 Ų5148.4 Ų48.427%0.26728%0.279SS..Hα-helixtrans-64.4-40.9179.4-78.8166.7000113.3E190 A191 I192 A198 L220E190-L194 HydrophobicContact CG-CD1 4.43Å; E190-L194 WeakPolarHBondContact O-CB 3.42Å; E190-L194 WeakPolarHBondContact O-CG 3.43Å; E190-L194 PolarHBondContact O-N 3.45Å; A191-L194 PolarHBondContact O-N 3.38Å; I192-L194 VanDerWaalsContact C-N 3.32Å; I192-L194 PolarHBondContact O-N 2.78Å; L194-A198 WeakPolarHBondContact O-CB 3.36Å; L194-A198 PolarHBondContact O-N 2.88Å; L194-L220 HydrophobicContact CD1-CD1 4Å
195V89.6Confident82.9Confident0 Ų047.5 Ų47.50%029%0.285CS..Hα-helixtrans-75.5-33175.2-570000111.9M167 V170 A191 I192 E197 A198 V199 L225 I289M167-V195 HydrophobicContact CB-CB 4.46Å; M167-V195 HydrophobicContact CB-CG2 3.88Å; V170-V195 HydrophobicContact CG2-CG1 3.78Å; A191-V195 PolarHBondContact O-N 2.84Å; A191-V195 VanDerWaalsContact O-N 3.16Å; I192-V195 WeakPolarHBondContact O-CG2 3.45Å; I192-V195 PolarHBondContact O-N 2.88Å; V195-E197 VanDerWaalsContact C-N 3.34Å; V195-E197 PolarHBondContact O-N 2.81Å; V195-A198 PolarHBondContact O-N 2.7Å; V195-V199 WeakPolarHBondContact O-CB 3.48Å; V195-V199 VanDerWaalsContact O-CG2 3.24Å; V195-V199 WeakPolarHBondContact O-CG2 3.35Å; V195-V199 PolarHBondContact O-N 3.31Å; V195-L225 HydrophobicContact CG1-CD2 4.22Å; V195-I289 HydrophobicContact CB-CD1 4.41Å; V195-I289 HydrophobicContact CG1-CD1 3.75Å; V195-I289 HydrophobicContact CG2-CB 4.12Å; V195-I289 HydrophobicContact CG2-CD1 3.71Å; V195-I289 HydrophobicContact CG2-CG1 4.47Å; V195-I289 HydrophobicContact CG2-CG2 3.84Å
196C86.4Confident81Confident6 Ų651.3 Ų51.34%0.04131%0.308CS..Hα-helixtrans-67.5-31.3175.9-73.70000113.1I192 S193 A202 A205 Y273I192-C196 WeakPolarHBondContact O-CB 3.49Å; I192-C196 PolarHBondContact O-N 2.87Å; I192-C196 PolarHBondContact O-SG 2.94Å; S193-C196 PolarHBondContact O-N 3.13Å; C196-A202 HydrophobicContact CB-CB 4.39Å; C196-A205 WeakPolarHBondContact O-CA 3.39Å; C196-A205 WeakPolarHBondContact O-CB 3.43Å; C196-Y273 VanDerWaalsContact SG-CE1 3.6Å; C196-Y273 VanDerWaalsContact SG-CZ 3.6Å
197E85.9Confident79.4Confident156 Ų15656.3 Ų56.373%0.72932%0.324SS*.Hα-helixtrans-73.2-35.7170.4-175.4170.8-172.400112S193 V195S193-E197 PolarHBondContact O-N 3.08Å; V195-E197 VanDerWaalsContact C-N 3.34Å; V195-E197 PolarHBondContact O-N 2.81Å
198A85.8Confident77.6Confident48 Ų4868.4 Ų68.440%0.39737%0.37SS..Hα-helixtrans-88.6-12.9-173.100000115.5L194 V195 L225L194-A198 WeakPolarHBondContact O-CB 3.36Å; L194-A198 PolarHBondContact O-N 2.88Å; V195-A198 PolarHBondContact O-N 2.7Å; A198-L225 HydrophobicContact CB-CD1 3.59Å
199V85.5Confident75.9Confident11 Ų1177.6 Ų77.67%0.06741%0.405CS..SBendtrans-106.9110.6-178.8178.20000110.7M167 V195 G201 A202 L225 A228M167-V199 HydrophobicContact CE-CB 3.88Å; M167-V199 HydrophobicContact CE-CG1 3.74Å; M167-V199 HydrophobicContact CE-CG2 4.26Å; V195-V199 WeakPolarHBondContact O-CB 3.48Å; V195-V199 VanDerWaalsContact O-CG2 3.24Å; V195-V199 WeakPolarHBondContact O-CG2 3.35Å; V195-V199 PolarHBondContact O-N 3.31Å; V199-G201 PolarHBondContact O-N 3.15Å; V199-A202 HydrophobicContact CB-CB 4.45Å; V199-A202 WeakPolarHBondContact O-CB 3.35Å; V199-A202 PolarHBondContact O-N 3.2Å; V199-L225 HydrophobicContact CG2-CD2 4.04Å; V199-A228 HydrophobicContact CG2-CB 3.69Å
200P75Confident74.1Confident127 Ų12781.2 Ų81.283%0.82542%0.423SS*.THydrogen-bonded Turntrans-58.2130.7176.7-24.134.4000111.9
201G74.3Confident72.4Confident79 Ų7985.5 Ų85.581%0.81445%0.454SS*.THydrogen-bonded Turntrans86.30.5179.300000115.5V199 K203V199-G201 PolarHBondContact O-N 3.15Å; G201-K203 PolarHBondContact O-N 3.2Å
202A77.1Confident70.5Confident6 Ų688.4 Ų88.45%0.0547%0.474CS..  trans-61.8132.8167.600000110.5M167 C196 V199 G204 A205M167-A202 HydrophobicContact CE-CB 3.57Å; C196-A202 HydrophobicContact CB-CB 4.39Å; V199-A202 HydrophobicContact CB-CB 4.45Å; V199-A202 WeakPolarHBondContact O-CB 3.35Å; V199-A202 PolarHBondContact O-N 3.2Å; A202-G204 PolarHBondContact O-N 3.47Å; A202-A205 HydrophobicContact CB-CB 4.41Å; A202-A205 WeakPolarHBondContact O-CB 3.34Å; A202-A205 PolarHBondContact O-N 3.02Å
203K67.1Low68.9Low106 Ų10690.6 Ų90.646%0.46149%0.489SS..G310 helixtrans-58-33.8-178.5-66.5163.1-177.6158.10113G201 A205 E272 Y273 E291G201-K203 PolarHBondContact O-N 3.2Å; K203-A205 VanDerWaalsContact C-N 3.3Å; K203-A205 PolarHBondContact O-N 3.43Å; K203-E272 WeakPolarHBondContact CB-OE1 3.1Å; K203-E272 VanDerWaalsContact CD-CD 3.43Å; K203-E272 WeakPolarHBondContact CD-OE1 3.27Å; K203-E272 WeakPolarHBondContact CD-OE2 3.29Å; K203-E272 WeakPolarHBondContact CE-OE2 3.38Å; K203-E272 IonicContact NZ-OE2 2.64Å; K203-E272 PolarHBondContact NZ-OE2 3.13Å; K203-Y273 PolarHBondContact N-OH 3.4Å; K203-E291 VanDerWaalsContact CD-OE1 3.31Å; K203-E291 WeakPolarHBondContact CD-OE1 3.33Å; K203-E291 WeakPolarHBondContact CE-OE1 3.36Å; K203-E291 IonicContact NZ-OE1 3.31Å; K203-E291 PolarHBondContact NZ-OE1 3.39Å
204G60.8Low67.5Low29 Ų2998.8 Ų98.830%0.29951%0.511SS..G310 helixtrans-68.7-16.3174.700000116A202 T206 Y273A202-G204 PolarHBondContact O-N 3.47Å; G204-T206 PolarHBondContact O-N 2.97Å; G204-T206 VanDerWaalsContact O-N 3.12Å; G204-Y273 PolarHBondContact N-OH 3.16Å
205A54.5Low66.2Low47 Ų47100.7 Ų100.739%0.38853%0.526SS..G310 helixtrans-65.2-19.4-168.900000115.1C196 A202 K203C196-A205 WeakPolarHBondContact O-CA 3.39Å; C196-A205 WeakPolarHBondContact O-CB 3.43Å; A202-A205 HydrophobicContact CB-CB 4.41Å; A202-A205 WeakPolarHBondContact O-CB 3.34Å; A202-A205 PolarHBondContact O-N 3.02Å; K203-A205 VanDerWaalsContact C-N 3.3Å; K203-A205 PolarHBondContact O-N 3.43Å
206T50.3Low65.5Low125 Ų125101 Ų10177%0.76753%0.528SS*.G310 helixtrans-80.9-23.2-170.356.90000114.2G204 R208G204-T206 PolarHBondContact O-N 2.97Å; G204-T206 VanDerWaalsContact O-N 3.12Å; T206-R208 PolarHBondContact O-N 3.02Å
207R55.7Low65.1Low177 Ų177104.8 Ų104.867%0.66856%0.555SS**  trans-87.588.7178.6-76.7-170.2176.2-179.87111.4R209 D269R207-R209 PolarHBondContact O-N 3.39Å; R207-D269 IonicContact CZ-OD1 2.77Å; R207-D269 IonicContact NH1-OD1 1.88Å; R207-D269 PolarHBondContact NH1-OD1 3.43Å; R207-D269 IonicContact NH1-OD2 2.73Å; R207-D269 IonicContact NH2-OD1 3.93Å
208R53.4Low65.1Low253 Ų253101.6 Ų101.696%0.95555%0.549SS*.  trans-51.4105.7164.4-75.2-171.1-177.2-95.57.8110.2T206T206-R208 PolarHBondContact O-N 3.02Å
209R56.1Low65.2Low196 Ų19699.9 Ų99.974%0.7453%0.533SS*.  trans-106.1174.3173-148.5169.5-173.9157.34.2110R207R207-R209 PolarHBondContact O-N 3.39Å
210K51Low65.4Low194 Ų194100 Ų10084%0.84353%0.533SS*.  trans-61.2144.2177.9-79.9179.9173.41760110.5
211P51.8Low66Low124 Ų12495.2 Ų95.281%0.80551%0.508SS*.  trans-60.1156.317427.5-35.8000111.3
212C52.1Low66.6Low60 Ų60101.5 Ų101.541%0.40551%0.507SS..  trans-44.2142.4-165.8-59.90000115.7E190 R214E190-C212 WeakPolarHBondContact OE1-CA 3.41Å; E190-C212 WeakPolarHBondContact OE1-CB 3.35Å; E190-C212 PolarHBondContact OE1-SG 3.18Å; C212-R214 PolarHBondContact O-N 3.22Å
213S57.9Low67.3Low48 Ų48104.3 Ų104.334%0.33653%0.526SS..  trans-67.4125.3174.671.70000110.5P215 L216S213-P215 VanDerWaalsContact C-N 3.31Å; S213-P215 WeakPolarHBondContact O-CD 3.16Å; S213-P215 VanDerWaalsContact O-N 3.11Å; S213-L216 PolarHBondContact O-N 3.45Å; S213-L216 WeakPolarHBondContact OG-CD1 3.42Å; S213-L216 WeakPolarHBondContact OG-CG 3.33Å
214R59.1Low68.3Low231 Ų231101.3 Ų101.387%0.87252%0.515SS*.THydrogen-bonded Turntrans-50.1-31.6-176.8-68.2-175.3179-179.3-0.7116.6C212 S217C212-R214 PolarHBondContact O-N 3.22Å; R214-S217 PolarHBondContact O-OG 3.5Å
215P61.6Low69.7Low91 Ų91102.7 Ų102.759%0.59152%0.515SS*.THydrogen-bonded Turntrans-69-31.7175.324.7-34.9000114.2S213 S217 S218S213-P215 VanDerWaalsContact C-N 3.31Å; S213-P215 WeakPolarHBondContact O-CD 3.16Å; S213-P215 VanDerWaalsContact O-N 3.11Å; P215-S217 PolarHBondContact O-N 3.48Å; P215-S218 PolarHBondContact O-N 2.93Å
216L74.9Confident71.2Confident8 Ų8108.1 Ų108.14%0.04253%0.53CS..G310 helixtrans-78.8-20.2-170.7-61.8-176.7000113.8Q186 V187 E190 S213 S218 I219 L220Q186-L216 HydrophobicContact CB-CD1 4.26Å; V187-L216 HydrophobicContact CG2-CD2 3.96Å; E190-L216 HydrophobicContact CB-CD1 3.72Å; E190-L216 HydrophobicContact CG-CB 4.4Å; E190-L216 HydrophobicContact CG-CD1 3.86Å; S213-L216 PolarHBondContact O-N 3.45Å; S213-L216 WeakPolarHBondContact OG-CD1 3.42Å; S213-L216 WeakPolarHBondContact OG-CG 3.33Å; L216-S218 PolarHBondContact O-N 2.94Å; L216-I219 HydrophobicContact CD2-CD1 4.24Å; L216-I219 PolarHBondContact O-N 2.94Å; L216-L220 PolarHBondContact O-N 3.11Å
217S78.3Confident72.9Confident85 Ų85106.2 Ų106.259%0.59451%0.511SS*.G310 helixtrans-70.5-4.3174.457.60000114.5R214 P215R214-S217 PolarHBondContact O-OG 3.5Å; P215-S217 PolarHBondContact O-N 3.48Å
218S85Confident74.5Confident88 Ų8899.1 Ų99.162%0.61549%0.491SS*.G310 helixtrans-89-10.8166.7-169.40000112.9P215 L216P215-S218 PolarHBondContact O-N 2.93Å; L216-S218 PolarHBondContact O-N 2.94Å
219I87.8Confident76.1Confident13 Ų1388.2 Ų88.27%0.06746%0.457CS..THydrogen-bonded Turntrans-111.6-42.5-174.9-58.4173.7000110.4V172 L173 Q174 L179 T183 V187 L216V172-I219 CarbonylContact C-O 3.57Å; V172-I219 WeakPolarHBondContact CA-O 3.45Å; V172-I219 HydrophobicContact CG1-CG2 4.04Å; L173-I219 PolarHBondContact N-O 2.92Å; Q174-I219 HydrophobicContact CB-CG2 4.27Å; L179-I219 HydrophobicContact CD1-CD1 4.28Å; L179-I219 HydrophobicContact CD1-CG2 3.92Å; L179-I219 HydrophobicContact CD2-CD1 3.94Å; T183-I219 HydrophobicContact CG2-CD1 3.94Å; V187-I219 HydrophobicContact CG1-CG2 4.12Å; V187-I219 HydrophobicContact CG2-CB 4.34Å; V187-I219 HydrophobicContact CG2-CD1 4.13Å; V187-I219 HydrophobicContact CG2-CG2 3.72Å; L216-I219 HydrophobicContact CD2-CD1 4.24Å; L216-I219 PolarHBondContact O-N 2.94Å
220L89.5Confident77.7Confident12 Ų1281.6 Ų81.66%0.06344%0.435CS..EExtended strand (participates in β ladder)trans-90.9128.3175-67.1173.8000110.6V170 V172 V187 E190 A191 L194 L216V170-L220 HydrophobicContact CB-CD2 4.5Å; V170-L220 HydrophobicContact CG1-CB 4.26Å; V170-L220 HydrophobicContact CG1-CD2 3.98Å; V172-L220 HydrophobicContact CG2-CD2 4.16Å; V187-L220 HydrophobicContact CG1-CD2 3.81Å; V187-L220 HydrophobicContact CG1-CG 4.25Å; E190-L220 HydrophobicContact CB-CD1 3.83Å; E190-L220 HydrophobicContact CG-CD1 3.82Å; A191-L220 HydrophobicContact CB-CD1 4.27Å; A191-L220 HydrophobicContact CB-CD2 4.07Å; L194-L220 HydrophobicContact CD1-CD1 4Å; L216-L220 PolarHBondContact O-N 3.11Å
221G87.6Confident79.7Confident28 Ų2875.3 Ų75.329%0.28941%0.414SS..EExtended strand (participates in β ladder)trans-97.2-137.1176.800000112.2E171E171-G221 PolarHBondContact O-N 2.97Å
222R87.7Confident81.8Confident211 Ų21169.4 Ų69.480%0.79638%0.376SS*.EExtended strand (participates in β ladder)trans-79.6145.3-177.7-64.3176.5177.9169.30.4112.5E171E171-R222 WeakPolarHBondContact CB-O 3.48Å; E171-R222 PolarHBondContact N-O 2.82Å; E171-R222 PolarHBondContact OE2-N 3.47Å
223S90.2Very high83.8Confident65 Ų6568.1 Ų68.146%0.45537%0.366SS..EExtended strand (participates in β ladder)trans-81.7142.116751.20000111.4C169C169-S223 CarbonylContact O-C 3.57Å; C169-S223 WeakPolarHBondContact O-CA 3.19Å
224N89.4Confident85.5Confident42 Ų4265.8 Ų65.823%0.22535%0.35CS..EExtended strand (participates in β ladder)trans-121.4111.7174.2177.69.1000109.2G168 C169 K226 N283G168-N224 WeakPolarHBondContact CA-O 3.37Å; C169-N224 PolarHBondContact N-O 3.49Å; C169-N224 VanDerWaalsContact N-O 3.07Å; C169-N224 PolarHBondContact O-N 2.85Å; N224-K226 VanDerWaalsContact OD1-CG 3.26Å; N224-K226 WeakPolarHBondContact OD1-CG 3.33Å; N224-K226 PolarHBondContact OD1-N 3.3Å; N224-N283 PolarHBondContact ND2-OD1 2.79Å
225L89.8Confident87.2Confident58 Ų5855.9 Ų55.930%0.30432%0.315SS..  trans-11214.6-171.2-55.2176.1000113.1V195 A198 V199 F227 A228V195-L225 HydrophobicContact CG1-CD2 4.22Å; A198-L225 HydrophobicContact CB-CD1 3.59Å; V199-L225 HydrophobicContact CG2-CD2 4.04Å; L225-F227 PolarHBondContact O-N 2.81Å; L225-A228 HydrophobicContact CB-CB 3.88Å; L225-A228 HydrophobicContact CD2-CB 4.09Å; L225-A228 VanDerWaalsContact O-CB 3.32Å; L225-A228 WeakPolarHBondContact O-CB 3.34Å; L225-A228 PolarHBondContact O-N 3.02Å
226K85.4Confident88.8Confident162 Ų16251.6 Ų51.670%0.70429%0.287SS*.THydrogen-bonded Turntrans-53.1-28.3-173.9-77.3174.7-178.9-178.30115.7N224N224-K226 VanDerWaalsContact OD1-CG 3.26Å; N224-K226 WeakPolarHBondContact OD1-CG 3.33Å; N224-K226 PolarHBondContact OD1-N 3.3Å
227F86.7Confident89.8Confident85 Ų8551.9 Ų51.937%0.37329%0.29SS..THydrogen-bonded Turntrans-126.218.9178.8-54.6-71.1000111.6Y166 L225 M230 I252Y166-F227 HydrophobicContact CD1-CB 4.02Å; Y166-F227 HydrophobicContact CE1-CB 4.32Å; L225-F227 PolarHBondContact O-N 2.81Å; F227-M230 HydrophobicContact CB-SD 3.89Å; F227-M230 HydrophobicContact CD1-SD 3.84Å; F227-M230 HydrophobicContact CG-SD 4.37Å; F227-M230 WeakPolarHBondContact O-CB 3.35Å; F227-M230 WeakPolarHBondContact O-CG 3.4Å; F227-M230 PolarHBondContact O-N 2.92Å; F227-I252 HydrophobicContact CB-CG2 4.23Å; F227-I252 HydrophobicContact CD2-CG2 3.58Å; F227-I252 HydrophobicContact CE2-CG2 4.03Å; F227-I252 HydrophobicContact CG-CG2 3.89Å
228A89.9Confident90.4Very high28 Ų2848 Ų4823%0.23126%0.263CS..THydrogen-bonded Turntrans-68.7142.2-176.400000111.4Y166 M167 V199 L225 M230Y166-A228 CarbonylContact O-C 3.53Å; Y166-A228 WeakPolarHBondContact O-CA 3.45Å; M167-A228 VanDerWaalsContact O-CB 3.31Å; M167-A228 WeakPolarHBondContact O-CB 3.21Å; V199-A228 HydrophobicContact CG2-CB 3.69Å; L225-A228 HydrophobicContact CB-CB 3.88Å; L225-A228 HydrophobicContact CD2-CB 4.09Å; L225-A228 VanDerWaalsContact O-CB 3.32Å; L225-A228 WeakPolarHBondContact O-CB 3.34Å; L225-A228 PolarHBondContact O-N 3.02Å; A228-M230 VanDerWaalsContact C-N 3.27Å; A228-M230 PolarHBondContact O-N 2.94Å
229G87Confident90.7Very high24 Ų2447.2 Ų47.225%0.24726%0.257CS..THydrogen-bonded Turntrans84.8-9.9-176.500000114.6R165 Y166R165-G229 VanDerWaalsContact CD-O 3.32Å; R165-G229 WeakPolarHBondContact CD-O 3.36Å; R165-G229 VanDerWaalsContact CG-C 3.47Å; R165-G229 VanDerWaalsContact CG-O 3.25Å; R165-G229 WeakPolarHBondContact CG-O 3.25Å; R165-G229 PolarHBondContact NH1-O 3.06Å; Y166-G229 PolarHBondContact O-N 2.57Å
230M89.8Confident91Very high57 Ų5747.5 Ų47.528%0.28126%0.26SS..EExtended strand (participates in β ladder)trans-76.1137.6-175.6-66-174.270.900112.7R165 Y166 F227 A228R165-M230 WeakPolarHBondContact CA-O 3.37Å; R165-M230 WeakPolarHBondContact CG-O 3.44Å; Y166-M230 PolarHBondContact N-O 2.59Å; F227-M230 HydrophobicContact CB-SD 3.89Å; F227-M230 HydrophobicContact CD1-SD 3.84Å; F227-M230 HydrophobicContact CG-SD 4.37Å; F227-M230 WeakPolarHBondContact O-CB 3.35Å; F227-M230 WeakPolarHBondContact O-CG 3.4Å; F227-M230 PolarHBondContact O-N 2.92Å; A228-M230 VanDerWaalsContact C-N 3.27Å; A228-M230 PolarHBondContact O-N 2.94Å
231P92.8Very high91.2Very high62 Ų6247 Ų4740%0.40326%0.257SS..EExtended strand (participates in β ladder)trans-72.9131.4169.531.2-33000110.4A246P231-A246 HydrophobicContact CB-CB 4.3Å; P231-A246 WeakPolarHBondContact O-CB 3.24Å; P231-A246 PolarHBondContact O-N 3.07Å; P231-A246 VanDerWaalsContact O-N 3.11Å
232I94.8Very high91.5Very high0 Ų047 Ų470%025%0.251CS..EExtended strand (participates in β ladder)trans-131.8149.4-178.268157.9000111.3V164 Y166 L243 M244 I252 L290V164-I232 HydrophobicContact CG2-CD1 4.04Å; V164-I232 HydrophobicContact CG2-CG1 3.65Å; V164-I232 PolarHBondContact N-O 3.18Å; V164-I232 WeakPolarHBondContact O-CG1 3.16Å; V164-I232 PolarHBondContact O-N 3.49Å; Y166-I232 HydrophobicContact CD2-CD1 4.33Å; I232-L243 HydrophobicContact CD1-CB 3.86Å; I232-L243 HydrophobicContact CD1-CD2 3.79Å; I232-L243 HydrophobicContact CD1-CG 3.66Å; I232-M244 CarbonylContact C-O 3.59Å; I232-M244 VanDerWaalsContact CA-O 3.23Å; I232-M244 WeakPolarHBondContact CA-O 3.45Å; I232-M244 WeakPolarHBondContact CB-O 3.13Å; I232-I252 HydrophobicContact CG2-CD1 3.54Å; I232-L290 HydrophobicContact CD1-CD2 4.03Å
233T94.2Very high91.8Very high32 Ų3236.9 Ų36.920%0.19621%0.213CC..EExtended strand (participates in β ladder)trans-87.1110160.7-55.60000108Y162 M244Y162-T233 CarbonylContact O-C 3.46Å; Y162-T233 WeakPolarHBondContact O-CA 3.49Å; T233-M244 HydrophobicContact CG2-CE 4.23Å; T233-M244 PolarHBondContact N-O 3Å; T233-M244 PolarHBondContact O-N 3.08Å
234L94.7Very high91.9Very high0 Ų036 Ų360%020%0.202CC..EExtended strand (participates in β ladder)trans-85115.7168174.775.4000108.6S161 Y162 V164 V236 L241 N242 L243 L290 V300S161-L234 CarbonylContact C-O 3.57Å; S161-L234 VanDerWaalsContact CA-O 3.32Å; S161-L234 WeakPolarHBondContact CA-O 3.45Å; Y162-L234 PolarHBondContact N-O 3.36Å; Y162-L234 PolarHBondContact O-N 3.42Å; V164-L234 HydrophobicContact CG2-CB 3.84Å; L234-V236 HydrophobicContact CD2-CG2 4.01Å; L234-V236 HydrophobicContact CG-CG2 4.14Å; L234-L241 HydrophobicContact CD1-CB 4.32Å; L234-N242 CarbonylContact C-O 3.45Å; L234-N242 WeakPolarHBondContact CA-O 3.38Å; L234-L243 HydrophobicContact CD1-CD1 3.73Å; L234-L243 HydrophobicContact CD1-CG 4.04Å; L234-L290 HydrophobicContact CD1-CD1 4.31Å; L234-L290 HydrophobicContact CD2-CD1 3.81Å; L234-V300 HydrophobicContact CD2-CG1 3.67Å; L234-V300 HydrophobicContact CD2-CG2 4.4Å
235T94.8Very high92.1Very high23 Ų2334.1 Ų34.114%0.14119%0.192CC..EExtended strand (participates in β ladder)trans-104118.4171-61.60000110.6P158 V160 S161 L241 N242P158-T235 WeakPolarHBondContact O-CG2 3.14Å; V160-T235 WeakPolarHBondContact O-CA 3.42Å; S161-T235 PolarHBondContact OG-OG1 3.21Å; T235-L241 WeakPolarHBondContact O-CA 3.1Å; T235-N242 PolarHBondContact N-O 2.77Å; T235-N242 PolarHBondContact O-N 3.45Å
236V95.1Very high92Very high0 Ų033.4 Ų33.40%019%0.194CC..EExtended strand (participates in β ladder)trans-96.5112.3179.9-176.60000109.7G159 V160 Y162 L234 L241 T303 I304 A307G159-V236 CarbonylContact C-O 3.57Å; G159-V236 WeakPolarHBondContact CA-O 3.4Å; V160-V236 PolarHBondContact N-O 3.25Å; V160-V236 PolarHBondContact O-N 3.45Å; Y162-V236 HydrophobicContact CD2-CG2 4.32Å; Y162-V236 HydrophobicContact CE2-CG2 4.43Å; L234-V236 HydrophobicContact CD2-CG2 4.01Å; L234-V236 HydrophobicContact CG-CG2 4.14Å; V236-L241 HydrophobicContact CB-CD2 4.05Å; V236-L241 HydrophobicContact CG1-CD2 3.72Å; V236-L241 HydrophobicContact CG2-CD2 4.04Å; V236-T303 HydrophobicContact CB-CG2 4.21Å; V236-T303 HydrophobicContact CG1-CG2 3.93Å; V236-I304 HydrophobicContact CG1-CG1 4.03Å; V236-I304 HydrophobicContact CG2-CG1 4.15Å; V236-A307 HydrophobicContact CG1-CB 4.06Å
237S94.3Very high92.1Very high15 Ų1531.3 Ų31.311%0.10519%0.191CC..  trans-126.9165.2174.270.20000111.3V155 S239 S240 M257V155-S237 CarbonylContact O-C 3.53Å; V155-S237 WeakPolarHBondContact O-CA 3.33Å; S237-S239 PolarHBondContact O-N 2.91Å; S237-S239 PolarHBondContact OG-N 2.82Å; S237-S240 PolarHBondContact N-O 3.06Å; S237-S240 VanDerWaalsContact N-O 3.08Å; S237-S240 PolarHBondContact OG-N 2.81Å; S237-S240 PolarHBondContact OG-O 2.92Å; S237-M257 WeakPolarHBondContact O-CE 3.35Å
238T92.4Very high91.7Very high3 Ų330.8 Ų30.82%0.01820%0.197CC..SBendtrans-60.3-28170.948.80000112.9V155 M156 M257 L310 R311V155-T238 HydrophobicContact CG1-CG2 4.3Å; V155-T238 PolarHBondContact O-N 2.89Å; M156-T238 HydrophobicContact CB-CG2 4.47Å; M156-T238 HydrophobicContact CG-CG2 3.69Å; T238-M257 VanDerWaalsContact O-CB 3.28Å; T238-M257 WeakPolarHBondContact O-CB 3.28Å; T238-L310 HydrophobicContact CG2-CB 3.7Å; T238-L310 HydrophobicContact CG2-CD1 4.44Å; T238-R311 HydrophobicContact CG2-CB 4.36Å; T238-R311 WeakPolarHBondContact O-CG 3.41Å
239S91.5Very high91.4Very high72 Ų7237.3 Ų37.350%0.50322%0.22SC..SBendtrans-76.7-52.9-180-58.40000111.8S237 H256 M257S237-S239 PolarHBondContact O-N 2.91Å; S237-S239 PolarHBondContact OG-N 2.82Å; S239-H256 PolarHBondContact O-CD2 3.49Å; S239-M257 WeakPolarHBondContact O-CB 3.45Å; S239-M257 PolarHBondContact O-N 3.06Å
240S93.2Very high91.5Very high19 Ų1942.1 Ų42.113%0.13324%0.236CC..EExtended strand (participates in β ladder)trans-157.5164.3-176.364.30000113.6S237 N254 H255S237-S240 PolarHBondContact N-O 3.06Å; S237-S240 VanDerWaalsContact N-O 3.08Å; S237-S240 PolarHBondContact OG-N 2.81Å; S237-S240 PolarHBondContact OG-O 2.92Å; S240-N254 WeakPolarHBondContact CB-OD1 3.44Å; S240-N254 PolarHBondContact OG-OD1 3Å; S240-H255 VanDerWaalsContact CA-O 3.31Å; S240-H255 WeakPolarHBondContact CA-O 3.28Å; S240-H255 VanDerWaalsContact CB-O 3.31Å; S240-H255 WeakPolarHBondContact CB-O 3.29Å
241L94.3Very high91.5Very high0 Ų044.1 Ų44.10%025%0.247CC..EExtended strand (participates in β ladder)trans-91.7114.9159.7-53.7-171.4000108.5L234 T235 V236 L243 N254 H255 M257 I260 Y276 I304L234-L241 HydrophobicContact CD1-CB 4.32Å; T235-L241 WeakPolarHBondContact O-CA 3.1Å; V236-L241 HydrophobicContact CB-CD2 4.05Å; V236-L241 HydrophobicContact CG1-CD2 3.72Å; V236-L241 HydrophobicContact CG2-CD2 4.04Å; L241-L243 HydrophobicContact CB-CD1 4.32Å; L241-N254 CarbonylContact O-C 3.56Å; L241-H255 HydrophobicContact CB-CB 4.45Å; L241-H255 PolarHBondContact N-O 2.92Å; L241-H255 PolarHBondContact O-N 3.44Å; L241-M257 HydrophobicContact CD2-CE 3.84Å; L241-M257 HydrophobicContact CG-CE 4.32Å; L241-I260 HydrophobicContact CB-CD1 4.33Å; L241-I260 HydrophobicContact CD1-CD1 3.53Å; L241-I260 HydrophobicContact CG-CD1 3.55Å; L241-Y276 HydrophobicContact CD1-CD2 4.29Å; L241-Y276 HydrophobicContact CD1-CE2 4.19Å; L241-I304 HydrophobicContact CD1-CD1 3.99Å; L241-I304 HydrophobicContact CD1-CG1 4.15Å; L241-I304 HydrophobicContact CD2-CG1 4.08Å
242N93.6Very high91.3Very high28 Ų2842.9 Ų42.915%0.1524%0.237CC..EExtended strand (participates in β ladder)trans-98.1129.6175-168.2-87.3000109.8L234 T235L234-N242 CarbonylContact C-O 3.45Å; L234-N242 WeakPolarHBondContact CA-O 3.38Å; T235-N242 PolarHBondContact N-O 2.77Å; T235-N242 PolarHBondContact O-N 3.45Å
243L93.2Very high91Very high0 Ų043.5 Ų43.50%024%0.242CC..EExtended strand (participates in β ladder)trans-112.9106.6178.2-75.671.4000107.7Y166 I232 L234 L241 I252 A253 Y276 L290Y166-L243 HydrophobicContact CD2-CD2 3.64Å; Y166-L243 HydrophobicContact CE2-CD2 3.62Å; I232-L243 HydrophobicContact CD1-CB 3.86Å; I232-L243 HydrophobicContact CD1-CD2 3.79Å; I232-L243 HydrophobicContact CD1-CG 3.66Å; L234-L243 HydrophobicContact CD1-CD1 3.73Å; L234-L243 HydrophobicContact CD1-CG 4.04Å; L241-L243 HydrophobicContact CB-CD1 4.32Å; L243-I252 PolarHBondContact O-N 3.47Å; L243-A253 HydrophobicContact CB-CB 4.33Å; L243-A253 PolarHBondContact N-O 3.37Å; L243-A253 PolarHBondContact O-N 3.46Å; L243-Y276 WeakPolarHBondContact CD1-OH 3.2Å; L243-Y276 WeakPolarHBondContact CD2-OH 3.24Å; L243-L290 HydrophobicContact CD2-CD2 4.45Å
244M93.1Very high90.9Very high47 Ų4746.1 Ų46.123%0.23225%0.254CS..EExtended strand (participates in β ladder)trans-116.5131.2-174.8178.4176.260.500110.4I232 T233 A246 K249 Q250I232-M244 CarbonylContact C-O 3.59Å; I232-M244 VanDerWaalsContact CA-O 3.23Å; I232-M244 WeakPolarHBondContact CA-O 3.45Å; I232-M244 WeakPolarHBondContact CB-O 3.13Å; T233-M244 HydrophobicContact CG2-CE 4.23Å; T233-M244 PolarHBondContact N-O 3Å; T233-M244 PolarHBondContact O-N 3.08Å; M244-A246 PolarHBondContact O-N 3.26Å; M244-K249 HydrophobicContact CG-CB 4.36Å; M244-K249 WeakPolarHBondContact CG-O 3.29Å; M244-K249 HydrophobicContact SD-CB 3.9Å; M244-K249 HydrophobicContact SD-CG 4.36Å; M244-Q250 CarbonylContact C-O 3.54Å; M244-Q250 WeakPolarHBondContact CA-O 3.49Å
245A93.4Very high90.8Very high2 Ų246.1 Ų46.12%0.01725%0.254CS..EExtended strand (participates in β ladder)trans-60.6130.2175.900000111D247 C248 K249 Q250 I252A245-D247 VanDerWaalsContact C-N 3.31Å; A245-D247 WeakPolarHBondContact CB-OD1 3.5Å; A245-D247 PolarHBondContact O-N 3.35Å; A245-C248 VanDerWaalsContact CB-SG 3.58Å; A245-K249 VanDerWaalsContact O-CA 3.26Å; A245-K249 WeakPolarHBondContact O-CA 3.4Å; A245-K249 PolarHBondContact O-N 2.86Å; A245-Q250 HydrophobicContact CB-CB 4.45Å; A245-Q250 PolarHBondContact N-O 3.37Å; A245-I252 HydrophobicContact CB-CD1 3.97Å; A245-I252 HydrophobicContact CB-CG1 4.3Å
246A88.7Confident90.7Very high42 Ų4249.4 Ų49.435%0.34727%0.268SS..THydrogen-bonded Turntrans-72.3-23.4-171.600000113.8L163 P231 M244L163-A246 HydrophobicContact CD1-CB 3.93Å; P231-A246 HydrophobicContact CB-CB 4.3Å; P231-A246 WeakPolarHBondContact O-CB 3.24Å; P231-A246 PolarHBondContact O-N 3.07Å; P231-A246 VanDerWaalsContact O-N 3.11Å; M244-A246 PolarHBondContact O-N 3.26Å
247D86.4Confident90.4Very high119 Ų11949.5 Ų49.564%0.63627%0.268SS*.THydrogen-bonded Turntrans-85.9-49.5-177.255.9-13.5000113A245A245-D247 VanDerWaalsContact C-N 3.31Å; A245-D247 WeakPolarHBondContact CB-OD1 3.5Å; A245-D247 PolarHBondContact O-N 3.35Å
248C78.3Confident90.1Very high74 Ų7454.6 Ų54.650%0.529%0.29SS..THydrogen-bonded Turntrans-110-2-172.664.70000114.4A245 Q250A245-C248 VanDerWaalsContact CB-SG 3.58Å; C248-Q250 PolarHBondContact O-N 3.47Å; C248-Q250 VanDerWaalsContact O-N 3.13Å; C248-Q250 WeakPolarHBondContact SG-CB 3.45Å
249K83.8Confident90Very high164 Ų16455.8 Ų55.871%0.71330%0.299SS*.  trans57.119.5-175.3-58.5-179.7-177.9176.30114.5M244 A245M244-K249 HydrophobicContact CG-CB 4.36Å; M244-K249 WeakPolarHBondContact CG-O 3.29Å; M244-K249 HydrophobicContact SD-CB 3.9Å; M244-K249 HydrophobicContact SD-CG 4.36Å; A245-K249 VanDerWaalsContact O-CA 3.26Å; A245-K249 WeakPolarHBondContact O-CA 3.4Å; A245-K249 PolarHBondContact O-N 2.86Å
250Q89.3Confident90Very high126 Ų12652.5 Ų52.559%0.58928%0.276SS*.  trans-72.2131.6174.9-174.8175.33.300110.5M244 A245 C248 I252M244-Q250 CarbonylContact C-O 3.54Å; M244-Q250 WeakPolarHBondContact CA-O 3.49Å; A245-Q250 HydrophobicContact CB-CB 4.45Å; A245-Q250 PolarHBondContact N-O 3.37Å; C248-Q250 PolarHBondContact O-N 3.47Å; C248-Q250 VanDerWaalsContact O-N 3.13Å; C248-Q250 WeakPolarHBondContact SG-CB 3.45Å; Q250-I252 PolarHBondContact O-N 2.9Å
251I90.1Very high89.7Confident99 Ų9952.9 Ų52.951%0.50828%0.278SS..EExtended strand (participates in β ladder)trans-72.9116.8172.3-58.9172.5000108.5A253 N254I251-A253 WeakPolarHBondContact CG2-O 3.4Å; I251-N254 HydrophobicContact CG2-CB 4.37Å
252I88.4Confident89.6Confident36 Ų3654 Ų5419%0.18528%0.284CS..EExtended strand (participates in β ladder)trans-83.9-43.1177.3-62.8167000110.1F227 I232 L243 A245 Q250F227-I252 HydrophobicContact CB-CG2 4.23Å; F227-I252 HydrophobicContact CD2-CG2 3.58Å; F227-I252 HydrophobicContact CE2-CG2 4.03Å; F227-I252 HydrophobicContact CG-CG2 3.89Å; I232-I252 HydrophobicContact CG2-CD1 3.54Å; L243-I252 PolarHBondContact O-N 3.47Å; A245-I252 HydrophobicContact CB-CD1 3.97Å; A245-I252 HydrophobicContact CB-CG1 4.3Å; Q250-I252 PolarHBondContact O-N 2.9Å
253A88.5Confident89.5Confident12 Ų1254.3 Ų54.310%0.09929%0.29CS..EExtended strand (participates in β ladder)trans-152.3157.2176.500000111.5L243 I251 H255L243-A253 HydrophobicContact CB-CB 4.33Å; L243-A253 PolarHBondContact N-O 3.37Å; L243-A253 PolarHBondContact O-N 3.46Å; I251-A253 WeakPolarHBondContact CG2-O 3.4Å; A253-H255 VanDerWaalsContact CB-CE1 3.41Å; A253-H255 WeakPolarHBondContact CB-CE1 3.48Å
254N91.1Very high89.4Confident87 Ų8755.1 Ų55.147%0.46530%0.295SS..EExtended strand (participates in β ladder)trans-14190.8176.6-172.413.7000109.8S240 L241 I251 H256S240-N254 WeakPolarHBondContact CB-OD1 3.44Å; S240-N254 PolarHBondContact OG-OD1 3Å; L241-N254 CarbonylContact O-C 3.56Å; I251-N254 HydrophobicContact CG2-CB 4.37Å; N254-H256 PolarHBondContact O-N 3.26Å
255H93.2Very high89.3Confident0 Ų053.9 Ų53.90%030%0.295CS..EExtended strand (participates in β ladder)trans-87.1100.8-174.3-61.2123.2000110.5S240 L241 A253 I260 Y276 A278 D280 H288S240-H255 VanDerWaalsContact CA-O 3.31Å; S240-H255 WeakPolarHBondContact CA-O 3.28Å; S240-H255 VanDerWaalsContact CB-O 3.31Å; S240-H255 WeakPolarHBondContact CB-O 3.29Å; L241-H255 HydrophobicContact CB-CB 4.45Å; L241-H255 PolarHBondContact N-O 2.92Å; L241-H255 PolarHBondContact O-N 3.44Å; A253-H255 VanDerWaalsContact CB-CE1 3.41Å; A253-H255 WeakPolarHBondContact CB-CE1 3.48Å; H255-I260 HydrophobicContact CB-CD1 4.04Å; H255-I260 HydrophobicContact CB-CG1 4.09Å; H255-Y276 HydrophobicContact CB-CE2 4.4Å; H255-Y276 PolarHBondContact CE1-OH 3.44Å; H255-Y276 AromaticContact ND1-CE2 3.43Å; H255-Y276 WeakPolarHBondContact ND1-CE2 3.41Å; H255-Y276 AromaticContact ND1-CZ 3.56Å; H255-Y276 PolarHBondContact ND1-OH 2.91Å; H255-A278 HydrophobicContact CB-CB 4.09Å; H255-D280 IonicContact CD2-OD1 2.7Å; H255-D280 PolarHBondContact CD2-OD1 2.91Å; H255-D280 IonicContact CD2-OD2 3.99Å; H255-D280 IonicContact NE2-OD1 3.14Å; H255-D280 PolarHBondContact NE2-OD1 3.09Å; H255-D280 IonicContact NE2-OD2 3.33Å; H255-D280 PolarHBondContact NE2-OD2 3.39Å; H255-H288 AromaticContact CE1-CD2 3.62Å; H255-H288 AromaticContact CE1-CE1 2.98Å; H255-H288 PolarHBondContact CE1-CE1 2.93Å; H255-H288 AromaticContact CE1-CG 3.27Å; H255-H288 AromaticContact CE1-ND1 2.84Å; H255-H288 PolarHBondContact CE1-ND1 2.87Å; H255-H288 AromaticContact CE1-NE2 3.47Å; H255-H288 PolarHBondContact CE1-NE2 3.27Å; H255-H288 AromaticContact NE2-CD2 3.98Å; H255-H288 AromaticContact NE2-CE1 2.92Å; H255-H288 PolarHBondContact NE2-CE1 2.78Å; H255-H288 AromaticContact NE2-ND1 3.81Å; H255-H288 AromaticContact NE2-NE2 3.04Å; H255-H288 PolarHBondContact NE2-NE2 2.83Å
256H91.9Very high88.9Confident92 Ų9254.9 Ų54.943%0.42631%0.305SS..EExtended strand (participates in β ladder)trans-56.4138.7175.4-172.3-135.8000111S239 N254 Q258 S259S239-H256 PolarHBondContact O-CD2 3.49Å; N254-H256 PolarHBondContact O-N 3.26Å; H256-Q258 PolarHBondContact CE1-NE2 3.17Å; H256-Q258 PolarHBondContact O-N 3.22Å; H256-S259 WeakPolarHBondContact O-CB 3.36Å; H256-S259 PolarHBondContact O-N 2.86Å; H256-S259 PolarHBondContact O-OG 3.26Å
257M89.2Confident88.6Confident2 Ų253.8 Ų53.81%0.0129%0.293CS..THydrogen-bonded Turntrans-64.3-8.8-173.1-163.76071.200113.8S237 T238 S239 L241 I260 A307 F308 R311S237-M257 WeakPolarHBondContact O-CE 3.35Å; T238-M257 VanDerWaalsContact O-CB 3.28Å; T238-M257 WeakPolarHBondContact O-CB 3.28Å; S239-M257 WeakPolarHBondContact O-CB 3.45Å; S239-M257 PolarHBondContact O-N 3.06Å; L241-M257 HydrophobicContact CD2-CE 3.84Å; L241-M257 HydrophobicContact CG-CE 4.32Å; M257-I260 HydrophobicContact SD-CD1 4.2Å; M257-A307 HydrophobicContact CE-CB 3.77Å; M257-F308 HydrophobicContact CG-CD1 4.14Å; M257-F308 HydrophobicContact CG-CE1 4.16Å; M257-F308 HydrophobicContact SD-CD1 3.91Å; M257-F308 HydrophobicContact SD-CD2 4.02Å; M257-F308 HydrophobicContact SD-CE1 3.78Å; M257-F308 HydrophobicContact SD-CE2 3.89Å; M257-F308 HydrophobicContact SD-CG 4.04Å; M257-F308 HydrophobicContact SD-CZ 3.78Å; M257-R311 HydrophobicContact CG-CB 4.38Å; M257-R311 HydrophobicContact CG-CG 4.34Å
258Q88.1Confident88.4Confident122 Ų12252.7 Ų52.757%0.5729%0.293SS*.THydrogen-bonded Turntrans-83-26.9169.1-61.5-177.513.100114H256H256-Q258 PolarHBondContact CE1-NE2 3.17Å; H256-Q258 PolarHBondContact O-N 3.22Å
259S90.7Very high88.6Confident29 Ų2953.6 Ų53.620%0.20329%0.293CS..THydrogen-bonded Turntrans-81.7-23.8-176.974.20000113H256 A278 K279H256-S259 WeakPolarHBondContact O-CB 3.36Å; H256-S259 PolarHBondContact O-N 2.86Å; H256-S259 PolarHBondContact O-OG 3.26Å; S259-A278 CarbonylContact O-C 3.6Å; S259-K279 WeakPolarHBondContact CB-O 3.26Å; S259-K279 PolarHBondContact O-N 2.85Å
260I91.3Very high88.6Confident3 Ų347 Ų472%0.01527%0.266CS..  trans-77.8131.4-179.6-53.8167.6000108.8L241 H255 M257 Y276 V277 A278 F308L241-I260 HydrophobicContact CB-CD1 4.33Å; L241-I260 HydrophobicContact CD1-CD1 3.53Å; L241-I260 HydrophobicContact CG-CD1 3.55Å; H255-I260 HydrophobicContact CB-CD1 4.04Å; H255-I260 HydrophobicContact CB-CG1 4.09Å; M257-I260 HydrophobicContact SD-CD1 4.2Å; I260-Y276 HydrophobicContact CG1-CD2 4.42Å; I260-Y276 HydrophobicContact CG2-CD2 4.22Å; I260-V277 WeakPolarHBondContact CA-O 3.33Å; I260-A278 HydrophobicContact CG1-CB 4.09Å; I260-F308 HydrophobicContact CB-CZ 3.77Å; I260-F308 HydrophobicContact CG2-CE2 4.04Å; I260-F308 HydrophobicContact CG2-CZ 3.68Å
261S88Confident88.5Confident26 Ų2643.3 Ų43.318%0.18226%0.257CS..  trans-129-14.2-165.359.20000115V277 R285S261-V277 PolarHBondContact N-O 3.43Å; S261-V277 PolarHBondContact OG-O 2.87Å; S261-R285 PolarHBondContact OG-NH1 3.09Å
262F91.3Very high88.5Confident25 Ų2541.1 Ų41.111%0.1125%0.245CC..EExtended strand (participates in β ladder)trans-161.1153.1171.1-172.6-111000109.1M176 F181 R184 T188 Y276 V277M176-F262 HydrophobicContact CB-CB 4.27Å; M176-F262 HydrophobicContact CE-CB 3.77Å; M176-F262 HydrophobicContact CE-CD1 3.39Å; M176-F262 HydrophobicContact CE-CE1 4.1Å; M176-F262 HydrophobicContact CE-CG 3.68Å; M176-F262 HydrophobicContact CG-CB 4.23Å; F181-F262 HydrophobicContact CD2-CE2 4.38Å; F181-F262 HydrophobicContact CE2-CE2 4.28Å; F181-F262 HydrophobicContact CE2-CZ 4.43Å; R184-F262 HydrophobicContact CB-CD1 4.35Å; R184-F262 HydrophobicContact CB-CD2 4.42Å; R184-F262 HydrophobicContact CB-CE1 3.92Å; R184-F262 HydrophobicContact CB-CE2 4.01Å; R184-F262 HydrophobicContact CB-CZ 3.74Å; T188-F262 HydrophobicContact CG2-CD1 3.84Å; T188-F262 HydrophobicContact CG2-CE1 3.82Å; F262-Y276 CarbonylContact O-C 3.47Å; F262-Y276 WeakPolarHBondContact O-CA 3.2Å; F262-V277 HydrophobicContact CB-CB 4.42Å; F262-V277 HydrophobicContact CB-CG2 4.42Å; F262-V277 PolarHBondContact O-N 2.84Å
263A92.3Very high88.7Confident34 Ų3439.5 Ų39.528%0.28124%0.236SC..EExtended strand (participates in β ladder)trans-147.4141.6168.500000109.6A275A263-A275 CarbonylContact C-O 3.59Å; A263-A275 WeakPolarHBondContact CA-O 3.1Å
264S91.2Very high89Confident16 Ų1638.9 Ų38.911%0.11223%0.232CC..EExtended strand (participates in β ladder)trans-146.5159.6172.276.50000110.7T188 A275T188-S264 WeakPolarHBondContact CB-OG 3.13Å; T188-S264 PolarHBondContact OG1-OG 2.81Å; S264-A275 PolarHBondContact N-O 3.23Å; S264-A275 PolarHBondContact O-N 3.33Å; S264-A275 VanDerWaalsContact O-O 3.09Å
265G89.1Confident89.1Confident22 Ų2234.8 Ų34.823%0.22721%0.21CC..EExtended strand (participates in β ladder)trans-72.7176.5156.900000111.4Y273 I301G265-Y273 CarbonylContact C-O 3.53Å; G265-Y273 WeakPolarHBondContact CA-O 3.45Å; G265-I301 VanDerWaalsContact CA-CD1 3.43Å
266G85.3Confident89.2Confident23 Ų2334.8 Ų34.824%0.23721%0.21CC..  trans-70.3-166.6158.800000112.7Y273G266-Y273 PolarHBondContact N-O 3.03Å
267D83.7Confident89.3Confident18 Ų1830.4 Ų30.410%0.09619%0.189CC..  trans-95.6174.817461.8-155.1000111.5R189 D269 T270 A271R189-D267 IonicContact CZ-OD1 3.16Å; R189-D267 IonicContact NE-OD1 3.83Å; R189-D267 PolarHBondContact NE-OD1 2.83Å; R189-D267 IonicContact NH2-OD1 3.52Å; R189-D267 PolarHBondContact NH2-OD1 3Å; D267-D269 PolarHBondContact O-N 2.8Å; D267-D269 VanDerWaalsContact O-N 3.11Å; D267-D269 WeakPolarHBondContact OD2-CB 3.5Å; D267-D269 PolarHBondContact OD2-N 3.28Å; D267-T270 PolarHBondContact N-OG1 2.83Å; D267-T270 CarbonylContact O-C 3.6Å; D267-T270 WeakPolarHBondContact O-CA 3.3Å; D267-T270 PolarHBondContact O-N 3.4Å; D267-T270 PolarHBondContact O-OG1 2.85Å; D267-T270 PolarHBondContact OD2-N 2.84Å; D267-T270 PolarHBondContact OD2-OG1 3.31Å; D267-A271 VanDerWaalsContact O-CA 3.29Å; D267-A271 WeakPolarHBondContact O-CA 3.29Å; D267-A271 PolarHBondContact O-N 3.22Å
268P81.7Confident89.5Confident96 Ų9630.3 Ų30.362%0.62319%0.189SC*.G310 helixtrans-46.9-34.4173.75.4-24.7000116.6P55 T270P55-P268 HydrophobicContact CG-CB 3.88Å; P55-P268 HydrophobicContact CG-CG 4.2Å; P268-T270 VanDerWaalsContact C-N 3.29Å
269D82.2Confident89.6Confident94 Ų9429.9 Ų29.950%0.50319%0.185SC..G310 helixtrans-78.8-13.4176.8-65.6-75.9000112.6R207 D267R207-D269 IonicContact CZ-OD1 2.77Å; R207-D269 IonicContact NH1-OD1 1.88Å; R207-D269 PolarHBondContact NH1-OD1 3.43Å; R207-D269 IonicContact NH1-OD2 2.73Å; R207-D269 IonicContact NH2-OD1 3.93Å; D267-D269 PolarHBondContact O-N 2.8Å; D267-D269 VanDerWaalsContact O-N 3.11Å; D267-D269 WeakPolarHBondContact OD2-CB 3.5Å; D267-D269 PolarHBondContact OD2-N 3.28Å
270T85Confident89.2Confident25 Ų2529.2 Ų29.215%0.15318%0.179CC..G310 helixtrans-134.229.9-175.354.50000112.3I192 D267 P268 E272 Y273I192-T270 HydrophobicContact CG2-CG2 4.42Å; D267-T270 PolarHBondContact N-OG1 2.83Å; D267-T270 CarbonylContact O-C 3.6Å; D267-T270 WeakPolarHBondContact O-CA 3.3Å; D267-T270 PolarHBondContact O-N 3.4Å; D267-T270 PolarHBondContact O-OG1 2.85Å; D267-T270 PolarHBondContact OD2-N 2.84Å; D267-T270 PolarHBondContact OD2-OG1 3.31Å; P268-T270 VanDerWaalsContact C-N 3.29Å; T270-E272 PolarHBondContact O-N 3.04Å; T270-E272 VanDerWaalsContact O-N 3.11Å; T270-Y273 HydrophobicContact CG2-CD2 4.42Å; T270-Y273 WeakPolarHBondContact O-CB 3.38Å; T270-Y273 WeakPolarHBondContact O-CD2 3.46Å; T270-Y273 PolarHBondContact O-N 3.13Å
271A85.6Confident88.6Confident48 Ų4834.6 Ų34.640%0.39722%0.215SC..THydrogen-bonded Turntrans-66.6-19.4-167.500000114.3D267 Y273 A297D267-A271 VanDerWaalsContact O-CA 3.29Å; D267-A271 WeakPolarHBondContact O-CA 3.29Å; D267-A271 PolarHBondContact O-N 3.22Å; A271-Y273 VanDerWaalsContact C-N 3.28Å; A271-A297 VanDerWaalsContact O-CB 3.23Å; A271-A297 WeakPolarHBondContact O-CB 3.44Å
272E90.8Very high88.1Confident53 Ų5339 Ų3925%0.24824%0.24CC..THydrogen-bonded Turntrans-76.8-9.1173.866.8-169.8157.900114K203 T270 C292K203-E272 WeakPolarHBondContact CB-OE1 3.1Å; K203-E272 VanDerWaalsContact CD-CD 3.43Å; K203-E272 WeakPolarHBondContact CD-OE1 3.27Å; K203-E272 WeakPolarHBondContact CD-OE2 3.29Å; K203-E272 WeakPolarHBondContact CE-OE2 3.38Å; K203-E272 IonicContact NZ-OE2 2.64Å; K203-E272 PolarHBondContact NZ-OE2 3.13Å; T270-E272 PolarHBondContact O-N 3.04Å; T270-E272 VanDerWaalsContact O-N 3.11Å; E272-C292 WeakPolarHBondContact O-CB 3.3Å; E272-C292 PolarHBondContact O-N 3.39Å
273Y92.8Very high87.4Confident2 Ų239.6 Ų39.61%0.00824%0.244CC..EExtended strand (participates in β ladder)trans-95.3136.6-179.3-64.2-88.2000112M167 I192 C196 K203 G204 G265 G266 T270 A271 I289 L290 E291M167-Y273 HydrophobicContact CE-CE1 4.49Å; M167-Y273 HydrophobicContact CG-CD1 4.38Å; M167-Y273 HydrophobicContact CG-CE1 4.15Å; I192-Y273 HydrophobicContact CG2-CD1 4.26Å; I192-Y273 HydrophobicContact CG2-CD2 4.28Å; I192-Y273 HydrophobicContact CG2-CG 3.88Å; C196-Y273 VanDerWaalsContact SG-CE1 3.6Å; C196-Y273 VanDerWaalsContact SG-CZ 3.6Å; K203-Y273 PolarHBondContact N-OH 3.4Å; G204-Y273 PolarHBondContact N-OH 3.16Å; G265-Y273 CarbonylContact C-O 3.53Å; G265-Y273 WeakPolarHBondContact CA-O 3.45Å; G266-Y273 PolarHBondContact N-O 3.03Å; T270-Y273 HydrophobicContact CG2-CD2 4.42Å; T270-Y273 WeakPolarHBondContact O-CB 3.38Å; T270-Y273 WeakPolarHBondContact O-CD2 3.46Å; T270-Y273 PolarHBondContact O-N 3.13Å; A271-Y273 VanDerWaalsContact C-N 3.28Å; Y273-I289 HydrophobicContact CD1-CG2 4.29Å; Y273-L290 CarbonylContact C-O 3.51Å; Y273-L290 VanDerWaalsContact CA-O 3.3Å; Y273-L290 WeakPolarHBondContact CA-O 3.24Å; Y273-E291 HydrophobicContact CD1-CB 4.11Å; Y273-E291 HydrophobicContact CE1-CB 3.79Å; Y273-E291 HydrophobicContact CE1-CG 4.23Å
274V94.3Very high87Confident0 Ų042.9 Ų42.90%025%0.254CS..EExtended strand (participates in β ladder)trans-117.3130173.1-177.90000109.2I289 L290 A297 V300 I301V274-I289 WeakPolarHBondContact O-CA 3.44Å; V274-L290 HydrophobicContact CB-CB 4.43Å; V274-L290 PolarHBondContact N-O 2.97Å; V274-L290 PolarHBondContact O-N 3.12Å; V274-A297 HydrophobicContact CG2-CB 3.66Å; V274-V300 HydrophobicContact CG1-CG1 4.31Å; V274-V300 HydrophobicContact CG2-CG1 4.43Å; V274-I301 HydrophobicContact CG1-CG1 3.79Å; V274-I301 HydrophobicContact CG2-CD1 4.11Å; V274-I301 HydrophobicContact CG2-CG1 3.99Å
275A94.8Very high87Confident0 Ų045.2 Ų45.20%026%0.26CS..EExtended strand (participates in β ladder)trans-122130.8179.600000111T188 I192 A263 S264 H288 I289T188-A275 HydrophobicContact CG2-CB 4.01Å; I192-A275 HydrophobicContact CD1-CB 3.96Å; I192-A275 HydrophobicContact CG1-CB 4.09Å; A263-A275 CarbonylContact C-O 3.59Å; A263-A275 WeakPolarHBondContact CA-O 3.1Å; S264-A275 PolarHBondContact N-O 3.23Å; S264-A275 PolarHBondContact O-N 3.33Å; S264-A275 VanDerWaalsContact O-O 3.09Å; A275-H288 WeakPolarHBondContact CA-O 3.37Å; A275-I289 HydrophobicContact CB-CG1 4.18Å
276Y94.8Very high87.2Confident0 Ų044.2 Ų44.20%025%0.25CC..EExtended strand (participates in β ladder)trans-137.3145.7175.670.4-83.7000111.9L241 L243 H255 I260 F262 A278 C287 H288 L290L241-Y276 HydrophobicContact CD1-CD2 4.29Å; L241-Y276 HydrophobicContact CD1-CE2 4.19Å; L243-Y276 WeakPolarHBondContact CD1-OH 3.2Å; L243-Y276 WeakPolarHBondContact CD2-OH 3.24Å; H255-Y276 HydrophobicContact CB-CE2 4.4Å; H255-Y276 PolarHBondContact CE1-OH 3.44Å; H255-Y276 AromaticContact ND1-CE2 3.43Å; H255-Y276 WeakPolarHBondContact ND1-CE2 3.41Å; H255-Y276 AromaticContact ND1-CZ 3.56Å; H255-Y276 PolarHBondContact ND1-OH 2.91Å; I260-Y276 HydrophobicContact CG1-CD2 4.42Å; I260-Y276 HydrophobicContact CG2-CD2 4.22Å; F262-Y276 CarbonylContact O-C 3.47Å; F262-Y276 WeakPolarHBondContact O-CA 3.2Å; Y276-A278 HydrophobicContact CD2-CB 4.23Å; Y276-A278 HydrophobicContact CE2-CB 4.03Å; Y276-C287 CarbonylContact O-C 3.11Å; Y276-C287 WeakPolarHBondContact O-CA 3.43Å; Y276-H288 HydrophobicContact CD1-CB 4.18Å; Y276-H288 HydrophobicContact CE1-CB 3.59Å; Y276-H288 HydrophobicContact CE2-CB 3.98Å; Y276-H288 VanDerWaalsContact CZ-CB 3.47Å; Y276-H288 AromaticContact CZ-CG 4Å; Y276-H288 PolarHBondContact N-O 3.42Å; Y276-H288 PolarHBondContact O-N 2.9Å; Y276-L290 HydrophobicContact CE1-CD1 4.07Å; Y276-L290 HydrophobicContact CE1-CG 4.3Å
277V93.8Very high87.6Confident0 Ų043.1 Ų43.10%024%0.238CC..EExtended strand (participates in β ladder)trans-107.5103.9-175.4-174.30000110.6V172 M176 I260 S261 F262 R285 A286 C287V172-V277 HydrophobicContact CG2-CG1 4.28Å; M176-V277 HydrophobicContact CE-CG2 3.89Å; M176-V277 HydrophobicContact CG-CB 3.99Å; M176-V277 HydrophobicContact CG-CG1 3.79Å; M176-V277 HydrophobicContact CG-CG2 4.02Å; M176-V277 HydrophobicContact SD-CG2 4.16Å; I260-V277 WeakPolarHBondContact CA-O 3.33Å; S261-V277 PolarHBondContact N-O 3.43Å; S261-V277 PolarHBondContact OG-O 2.87Å; F262-V277 HydrophobicContact CB-CB 4.42Å; F262-V277 HydrophobicContact CB-CG2 4.42Å; F262-V277 PolarHBondContact O-N 2.84Å; V277-R285 HydrophobicContact CG1-CG 4Å; V277-A286 CarbonylContact C-O 3.59Å; V277-A286 WeakPolarHBondContact CA-O 3.44Å; V277-C287 HydrophobicContact CG2-CB 3.96Å
278A93.4Very high88.1Confident0 Ų042.2 Ų42.20%023%0.234CC..EExtended strand (participates in β ladder)trans-103.3175.6179.700000112.2H255 S259 I260 Y276 R285 A286H255-A278 HydrophobicContact CB-CB 4.09Å; S259-A278 CarbonylContact O-C 3.6Å; I260-A278 HydrophobicContact CG1-CB 4.09Å; Y276-A278 HydrophobicContact CD2-CB 4.23Å; Y276-A278 HydrophobicContact CE2-CB 4.03Å; A278-R285 WeakPolarHBondContact O-CA 3.34Å; A278-A286 PolarHBondContact N-O 3.31Å; A278-A286 PolarHBondContact O-N 2.93Å; A278-A286 VanDerWaalsContact O-N 3.12Å
279K90.4Very high88.7Confident114 Ų11437.7 Ų37.750%0.49620%0.204SC..EExtended strand (participates in β ladder)trans-122.2113.6162.3-171.9-175.3177.7-177.10110.1S259 Q284S259-K279 WeakPolarHBondContact CB-O 3.26Å; S259-K279 PolarHBondContact O-N 2.85Å; K279-Q284 CarbonylContact C-O 3.56Å; K279-Q284 VanDerWaalsContact CA-O 3.29Å; K279-Q284 WeakPolarHBondContact CA-O 3.5Å; K279-Q284 VanDerWaalsContact CE-OE1 3.3Å
280D81.8Confident89.3Confident15 Ų1533.2 Ų33.28%0.0818%0.18CC..EExtended strand (participates in β ladder)trans-92.3156.4168.7-87.9-37.9000111.5H255 V282 N283 Q284 H288H255-D280 IonicContact CD2-OD1 2.7Å; H255-D280 PolarHBondContact CD2-OD1 2.91Å; H255-D280 IonicContact CD2-OD2 3.99Å; H255-D280 IonicContact NE2-OD1 3.14Å; H255-D280 PolarHBondContact NE2-OD1 3.09Å; H255-D280 IonicContact NE2-OD2 3.33Å; H255-D280 PolarHBondContact NE2-OD2 3.39Å; D280-V282 VanDerWaalsContact C-N 3.27Å; D280-N283 HydrophobicContact CB-CB 3.97Å; D280-N283 PolarHBondContact OD2-ND2 3.07Å; D280-Q284 PolarHBondContact N-O 2.85Å; D280-Q284 VanDerWaalsContact O-CA 3.28Å; D280-Q284 WeakPolarHBondContact O-CA 3.21Å; D280-Q284 PolarHBondContact O-N 2.77Å; D280-H288 IonicContact OD2-CE1 3.21Å; D280-H288 PolarHBondContact OD2-CE1 3.16Å; D280-H288 IonicContact OD2-NE2 2.75Å
281P78.4Confident89.7Confident116 Ų11632.5 Ų32.575%0.75318%0.175SC*.THydrogen-bonded Turntrans-67.9-28.2162.528.7-32.7000112.3
282V78.3Confident90Very high119 Ų11930.2 Ų30.272%0.72116%0.156SC*.THydrogen-bonded Turntrans-88.1-49.5-177.7-178.60000112.5D280D280-V282 VanDerWaalsContact C-N 3.27Å
283N75.5Confident89.8Confident36 Ų3629.8 Ų29.819%0.19316%0.158CC..THydrogen-bonded Turntrans-94.14.9-174.8-55.2-63.9000113.5N224 D280 R285 A286N224-N283 PolarHBondContact ND2-OD1 2.79Å; D280-N283 HydrophobicContact CB-CB 3.97Å; D280-N283 PolarHBondContact OD2-ND2 3.07Å; N283-R285 PolarHBondContact O-N 3.31Å; N283-A286 HydrophobicContact CB-CB 4.01Å
284Q83.7Confident89.1Confident103 Ų10338.7 Ų38.748%0.48120%0.2SC..EExtended strand (participates in β ladder)trans47.6-136-166.5-66.6-61.7-27.600111K279 D280K279-Q284 CarbonylContact C-O 3.56Å; K279-Q284 VanDerWaalsContact CA-O 3.29Å; K279-Q284 WeakPolarHBondContact CA-O 3.5Å; K279-Q284 VanDerWaalsContact CE-OE1 3.3Å; D280-Q284 PolarHBondContact N-O 2.85Å; D280-Q284 VanDerWaalsContact O-CA 3.28Å; D280-Q284 WeakPolarHBondContact O-CA 3.21Å; D280-Q284 PolarHBondContact O-N 2.77Å
285R91.9Very high88.5Confident65 Ų6541.2 Ų41.225%0.24523%0.226CC..EExtended strand (participates in β ladder)trans-81.3117.1173.4179.3-174.8-71.1-74.5-0.7108.5V172 Q174 S261 V277 A278 N283V172-R285 HydrophobicContact CB-CG 4.12Å; V172-R285 PolarHBondContact N-O 3.33Å; V172-R285 WeakPolarHBondContact O-CB 3.38Å; V172-R285 VanDerWaalsContact O-CD 3.24Å; V172-R285 WeakPolarHBondContact O-CD 3.4Å; V172-R285 WeakPolarHBondContact O-CG 3.35Å; Q174-R285 VanDerWaalsContact O-CD 3.29Å; Q174-R285 WeakPolarHBondContact O-CD 3.48Å; S261-R285 PolarHBondContact OG-NH1 3.09Å; V277-R285 HydrophobicContact CG1-CG 4Å; A278-R285 WeakPolarHBondContact O-CA 3.34Å; N283-R285 PolarHBondContact O-N 3.31Å
286A93.3Very high88.3Confident1 Ų143.4 Ų43.41%0.00824%0.237CC..EExtended strand (participates in β ladder)trans-139.1148.5-179.600000112.1C169 V170 V277 A278 N283 H288C169-A286 HydrophobicContact CB-CB 4.15Å; V170-A286 CarbonylContact O-C 3.49Å; V170-A286 WeakPolarHBondContact O-CA 3.32Å; V277-A286 CarbonylContact C-O 3.59Å; V277-A286 WeakPolarHBondContact CA-O 3.44Å; A278-A286 PolarHBondContact N-O 3.31Å; A278-A286 PolarHBondContact O-N 2.93Å; A278-A286 VanDerWaalsContact O-N 3.12Å; N283-A286 HydrophobicContact CB-CB 4.01Å; A286-H288 PolarHBondContact O-CD2 3.46Å
287C93.7Very high88.1Confident0 Ų043.5 Ų43.50%024%0.238CC..EExtended strand (participates in β ladder)trans-89.5111167.6-172.50000108.5C169 V170 V172 A191 Y276 V277C169-C287 CarbonylContact C-O 3.56Å; C169-C287 WeakPolarHBondContact CA-O 3.46Å; C169-C287 WeakPolarHBondContact CB-O 3.22Å; V170-C287 PolarHBondContact N-O 3.15Å; V170-C287 PolarHBondContact O-N 3.01Å; V172-C287 HydrophobicContact CG2-CB 3.79Å; A191-C287 HydrophobicContact CB-CB 4.38Å; Y276-C287 CarbonylContact O-C 3.11Å; Y276-C287 WeakPolarHBondContact O-CA 3.43Å; V277-C287 HydrophobicContact CG2-CB 3.96Å
288H93.9Very high87.9Confident0 Ų046.3 Ų46.30%025%0.251CS..EExtended strand (participates in β ladder)trans-92.3136.7176.8-61.2-96.7000109.1Y166 C169 H255 A275 Y276 D280 A286Y166-H288 HydrophobicContact CE2-CB 4.28Å; Y166-H288 AromaticContact CZ-ND1 3.93Å; Y166-H288 PolarHBondContact OH-ND1 2.79Å; C169-H288 HydrophobicContact CB-CB 4.33Å; C169-H288 WeakPolarHBondContact CB-ND1 3.45Å; H255-H288 AromaticContact CE1-CD2 3.62Å; H255-H288 AromaticContact CE1-CE1 2.98Å; H255-H288 PolarHBondContact CE1-CE1 2.93Å; H255-H288 AromaticContact CE1-CG 3.27Å; H255-H288 AromaticContact CE1-ND1 2.84Å; H255-H288 PolarHBondContact CE1-ND1 2.87Å; H255-H288 AromaticContact CE1-NE2 3.47Å; H255-H288 PolarHBondContact CE1-NE2 3.27Å; H255-H288 AromaticContact NE2-CD2 3.98Å; H255-H288 AromaticContact NE2-CE1 2.92Å; H255-H288 PolarHBondContact NE2-CE1 2.78Å; H255-H288 AromaticContact NE2-ND1 3.81Å; H255-H288 AromaticContact NE2-NE2 3.04Å; H255-H288 PolarHBondContact NE2-NE2 2.83Å; A275-H288 WeakPolarHBondContact CA-O 3.37Å; Y276-H288 HydrophobicContact CD1-CB 4.18Å; Y276-H288 HydrophobicContact CE1-CB 3.59Å; Y276-H288 HydrophobicContact CE2-CB 3.98Å; Y276-H288 VanDerWaalsContact CZ-CB 3.47Å; Y276-H288 AromaticContact CZ-CG 4Å; Y276-H288 PolarHBondContact N-O 3.42Å; Y276-H288 PolarHBondContact O-N 2.9Å; D280-H288 IonicContact OD2-CE1 3.21Å; D280-H288 PolarHBondContact OD2-CE1 3.16Å; D280-H288 IonicContact OD2-NE2 2.75Å; A286-H288 PolarHBondContact O-CD2 3.46Å
289I94.3Very high87.7Confident0 Ų048.9 Ų48.90%027%0.265CS..EExtended strand (participates in β ladder)trans-124.5133.8-171.7-63.2142.9000109.7M167 G168 V170 A191 I192 V195 Y273 V274 A275M167-I289 HydrophobicContact CB-CB 4.24Å; M167-I289 HydrophobicContact CB-CG2 3.97Å; M167-I289 WeakPolarHBondContact CB-O 3.49Å; M167-I289 HydrophobicContact CG-CG2 4.27Å; M167-I289 PolarHBondContact N-O 2.66Å; G168-I289 PolarHBondContact O-N 2.74Å; G168-I289 VanDerWaalsContact O-N 3.09Å; V170-I289 HydrophobicContact CG2-CD1 4.23Å; A191-I289 VanDerWaalsContact C-CD1 3.5Å; A191-I289 HydrophobicContact CB-CD1 3.96Å; A191-I289 VanDerWaalsContact O-CD1 3.3Å; A191-I289 WeakPolarHBondContact O-CD1 3.49Å; I192-I289 HydrophobicContact CG1-CG1 4.18Å; I192-I289 HydrophobicContact CG1-CG2 3.97Å; V195-I289 HydrophobicContact CB-CD1 4.41Å; V195-I289 HydrophobicContact CG1-CD1 3.75Å; V195-I289 HydrophobicContact CG2-CB 4.12Å; V195-I289 HydrophobicContact CG2-CD1 3.71Å; V195-I289 HydrophobicContact CG2-CG1 4.47Å; V195-I289 HydrophobicContact CG2-CG2 3.84Å; Y273-I289 HydrophobicContact CD1-CG2 4.29Å; V274-I289 WeakPolarHBondContact O-CA 3.44Å; A275-I289 HydrophobicContact CB-CG1 4.18Å
290L94.6Very high87.9Confident0 Ų043.5 Ų43.50%024%0.241CC..EExtended strand (participates in β ladder)trans-122.7136-177.4-54.1176.3000109.1V164 R165 Y166 I232 L234 L243 Y273 V274 Y276V164-L290 HydrophobicContact CG2-CB 4.49Å; V164-L290 HydrophobicContact CG2-CD1 4.33Å; V164-L290 HydrophobicContact CG2-CD2 4.26Å; R165-L290 CarbonylContact O-C 3.54Å; R165-L290 WeakPolarHBondContact O-CA 3.28Å; Y166-L290 HydrophobicContact CD2-CD2 3.73Å; Y166-L290 HydrophobicContact CE2-CD2 4.48Å; I232-L290 HydrophobicContact CD1-CD2 4.03Å; L234-L290 HydrophobicContact CD1-CD1 4.31Å; L234-L290 HydrophobicContact CD2-CD1 3.81Å; L243-L290 HydrophobicContact CD2-CD2 4.45Å; Y273-L290 CarbonylContact C-O 3.51Å; Y273-L290 VanDerWaalsContact CA-O 3.3Å; Y273-L290 WeakPolarHBondContact CA-O 3.24Å; V274-L290 HydrophobicContact CB-CB 4.43Å; V274-L290 PolarHBondContact N-O 2.97Å; V274-L290 PolarHBondContact O-N 3.12Å; Y276-L290 HydrophobicContact CE1-CD1 4.07Å; Y276-L290 HydrophobicContact CE1-CG 4.3Å
291E93.5Very high88.4Confident10 Ų1043.6 Ų43.65%0.04724%0.242CC..EExtended strand (participates in β ladder)trans-93.9118.5163.4171.6-165.5-129.900107.7R165 M167 K203 Y273R165-E291 HydrophobicContact CB-CB 4.18Å; R165-E291 VanDerWaalsContact CD-OE2 3.29Å; R165-E291 WeakPolarHBondContact CD-OE2 3.3Å; R165-E291 IonicContact CZ-OE2 3.76Å; R165-E291 PolarHBondContact N-O 2.84Å; R165-E291 IonicContact NE-OE2 2.74Å; R165-E291 PolarHBondContact NE-OE2 2.76Å; R165-E291 IonicContact NH2-OE2 3.72Å; R165-E291 PolarHBondContact O-N 2.83Å; M167-E291 HydrophobicContact CG-CB 4.02Å; M167-E291 HydrophobicContact SD-CB 3.91Å; K203-E291 VanDerWaalsContact CD-OE1 3.31Å; K203-E291 WeakPolarHBondContact CD-OE1 3.33Å; K203-E291 WeakPolarHBondContact CE-OE1 3.36Å; K203-E291 IonicContact NZ-OE1 3.31Å; K203-E291 PolarHBondContact NZ-OE1 3.39Å; Y273-E291 HydrophobicContact CD1-CB 4.11Å; Y273-E291 HydrophobicContact CE1-CB 3.79Å; Y273-E291 HydrophobicContact CE1-CG 4.23Å
292C91.7Very high89Confident0 Ų038.5 Ų38.50%021%0.209CC..  trans-107.6108.5179.6-64.80000109.2V164 E272 L296 A297V164-C292 HydrophobicContact CG1-CB 4.32Å; V164-C292 VanDerWaalsContact CG1-SG 3.54Å; E272-C292 WeakPolarHBondContact O-CB 3.3Å; E272-C292 PolarHBondContact O-N 3.39Å; C292-L296 HydrophobicContact CB-CB 4.19Å; C292-A297 HydrophobicContact CB-CB 3.99Å
293P86.4Confident89.7Confident45 Ų4532.9 Ų32.929%0.29218%0.175SC..G310 helixtrans-64.5167.1176.328.8-34.7000112G295 L296P293-G295 PolarHBondContact O-N 2.86Å; P293-L296 WeakPolarHBondContact O-CB 3.29Å; P293-L296 VanDerWaalsContact O-CG 3.31Å; P293-L296 WeakPolarHBondContact O-CG 3.32Å; P293-L296 PolarHBondContact O-N 2.84Å; P293-L296 VanDerWaalsContact O-N 3.1Å
294E79.4Confident90.5Very high189 Ų18931.2 Ų31.288%0.88317%0.166SC*.G310 helixtrans57.726.6164.9-65.4165.8-157.200115.5L296E294-L296 PolarHBondContact O-N 3.08Å
295G81.9Confident90.8Very high53 Ų5326.6 Ų26.655%0.54615%0.146SC..G310 helixtrans79.5-0.6178.500000114.8P293 A297 Q298P293-G295 PolarHBondContact O-N 2.86Å; G295-A297 PolarHBondContact O-N 3.29Å; G295-Q298 PolarHBondContact O-N 3.4Å
296L89.4Confident90.7Very high46 Ų4623.6 Ų23.624%0.24114%0.135CC..Hα-helixtrans-57.8-11.7-179.4-65171.8000114.1Y162 C292 P293 E294 Q298 D299 V300Y162-L296 HydrophobicContact CD1-CD2 4.36Å; Y162-L296 HydrophobicContact CE1-CD2 4.35Å; C292-L296 HydrophobicContact CB-CB 4.19Å; P293-L296 WeakPolarHBondContact O-CB 3.29Å; P293-L296 VanDerWaalsContact O-CG 3.31Å; P293-L296 WeakPolarHBondContact O-CG 3.32Å; P293-L296 PolarHBondContact O-N 2.84Å; P293-L296 VanDerWaalsContact O-N 3.1Å; E294-L296 PolarHBondContact O-N 3.08Å; L296-Q298 VanDerWaalsContact C-N 3.34Å; L296-Q298 PolarHBondContact O-N 2.74Å; L296-D299 PolarHBondContact O-N 2.83Å; L296-V300 WeakPolarHBondContact O-CB 3.41Å; L296-V300 VanDerWaalsContact O-CG2 3.28Å; L296-V300 WeakPolarHBondContact O-CG2 3.36Å; L296-V300 PolarHBondContact O-N 3.12Å
297A90.4Very high90.6Very high1 Ų123.5 Ų23.51%0.00813%0.134CC..Hα-helixtrans-53.2-47.9173.600000112.5A271 V274 C292 G295 V300 I301A271-A297 VanDerWaalsContact O-CB 3.23Å; A271-A297 WeakPolarHBondContact O-CB 3.44Å; V274-A297 HydrophobicContact CG2-CB 3.66Å; C292-A297 HydrophobicContact CB-CB 3.99Å; G295-A297 PolarHBondContact O-N 3.29Å; A297-V300 PolarHBondContact O-N 3.35Å; A297-I301 VanDerWaalsContact O-CD1 3.27Å; A297-I301 WeakPolarHBondContact O-CD1 3.45Å; A297-I301 WeakPolarHBondContact O-CG1 3.31Å; A297-I301 PolarHBondContact O-N 3.25Å
298Q89.2Confident90.5Very high60 Ų6026 Ų2628%0.2815%0.145SC..Hα-helixtrans-67.2-38.6-179.7-73.5-70.60.700112.3T56 G295 L296 S302T56-Q298 PolarHBondContact O-NE2 2.79Å; T56-Q298 PolarHBondContact OG1-NE2 1.88Å; G295-Q298 PolarHBondContact O-N 3.4Å; L296-Q298 VanDerWaalsContact C-N 3.34Å; L296-Q298 PolarHBondContact O-N 2.74Å; Q298-S302 VanDerWaalsContact O-CB 3.23Å; Q298-S302 WeakPolarHBondContact O-CB 3.44Å; Q298-S302 PolarHBondContact O-N 2.81Å; Q298-S302 PolarHBondContact O-OG 2.81Å
299D91.1Very high90.3Very high54 Ų5426.9 Ų26.929%0.28915%0.149SC..Hα-helixtrans-64.8-43.2176-7518.9000112L149 Y162 L296 S302 T303L149-D299 HydrophobicContact CD2-CB 4.11Å; L149-D299 VanDerWaalsContact CD2-OD1 3.31Å; L149-D299 WeakPolarHBondContact CD2-OD1 3.43Å; L149-D299 WeakPolarHBondContact CD2-OD2 3.36Å; Y162-D299 HydrophobicContact CE1-CB 3.94Å; Y162-D299 PolarHBondContact OH-O 2.57Å; L296-D299 PolarHBondContact O-N 2.83Å; D299-S302 PolarHBondContact O-N 2.93Å; D299-T303 VanDerWaalsContact O-CB 3.29Å; D299-T303 WeakPolarHBondContact O-CB 3.43Å; D299-T303 PolarHBondContact O-N 3.02Å; D299-T303 PolarHBondContact O-OG1 3.24Å
300V92.8Very high90Very high0 Ų027.6 Ų27.60%015%0.153CC..Hα-helixtrans-64.3-48.2176.41680000110.5Y162 L234 V274 L296 A297 S302 T303 I304Y162-V300 HydrophobicContact CD1-CG2 3.66Å; Y162-V300 HydrophobicContact CD2-CG2 3.83Å; Y162-V300 HydrophobicContact CE1-CG2 3.94Å; Y162-V300 HydrophobicContact CE2-CG2 4.1Å; Y162-V300 HydrophobicContact CG-CG2 3.59Å; L234-V300 HydrophobicContact CD2-CG1 3.67Å; L234-V300 HydrophobicContact CD2-CG2 4.4Å; V274-V300 HydrophobicContact CG1-CG1 4.31Å; V274-V300 HydrophobicContact CG2-CG1 4.43Å; L296-V300 WeakPolarHBondContact O-CB 3.41Å; L296-V300 VanDerWaalsContact O-CG2 3.28Å; L296-V300 WeakPolarHBondContact O-CG2 3.36Å; L296-V300 PolarHBondContact O-N 3.12Å; A297-V300 PolarHBondContact O-N 3.35Å; V300-S302 VanDerWaalsContact C-N 3.35Å; V300-S302 PolarHBondContact O-N 3.18Å; V300-T303 PolarHBondContact O-N 3.04Å; V300-I304 HydrophobicContact CG1-CD1 3.71Å; V300-I304 HydrophobicContact CG1-CG1 4.46Å; V300-I304 WeakPolarHBondContact O-CB 3.49Å; V300-I304 VanDerWaalsContact O-CG1 3.23Å; V300-I304 WeakPolarHBondContact O-CG1 3.31Å; V300-I304 PolarHBondContact O-N 3.47Å
301I92.6Very high89.6Confident17 Ų1730.4 Ų30.49%0.08716%0.164CC..Hα-helixtrans-59.2-46.8176.5-66.3158000110.6L58 G265 V274 A297 T303 I304 G305L58-I301 HydrophobicContact CD1-CG2 3.92Å; G265-I301 VanDerWaalsContact CA-CD1 3.43Å; V274-I301 HydrophobicContact CG1-CG1 3.79Å; V274-I301 HydrophobicContact CG2-CD1 4.11Å; V274-I301 HydrophobicContact CG2-CG1 3.99Å; A297-I301 VanDerWaalsContact O-CD1 3.27Å; A297-I301 WeakPolarHBondContact O-CD1 3.45Å; A297-I301 WeakPolarHBondContact O-CG1 3.31Å; A297-I301 PolarHBondContact O-N 3.25Å; I301-T303 PolarHBondContact O-N 3.1Å; I301-I304 PolarHBondContact O-N 2.92Å; I301-G305 PolarHBondContact O-N 3.25Å
302S91.1Very high89.1Confident10 Ų1034.7 Ų34.77%0.0718%0.182CC..Hα-helixtrans-62.6-40.9179.6-62.80000112W148 Q298 D299 V300 G305 Q306W148-S302 WeakPolarHBondContact CZ3-O 3.44Å; Q298-S302 VanDerWaalsContact O-CB 3.23Å; Q298-S302 WeakPolarHBondContact O-CB 3.44Å; Q298-S302 PolarHBondContact O-N 2.81Å; Q298-S302 PolarHBondContact O-OG 2.81Å; D299-S302 PolarHBondContact O-N 2.93Å; V300-S302 VanDerWaalsContact C-N 3.35Å; V300-S302 PolarHBondContact O-N 3.18Å; S302-G305 CarbonylContact O-C 3.52Å; S302-G305 PolarHBondContact O-N 3.48Å; S302-Q306 PolarHBondContact O-N 2.77Å
303T92.6Very high88.8Confident0 Ų039 Ų390%020%0.201CC..Hα-helixtrans-75-35.2-179-53.70000112H150 V155 V160 Y162 V236 D299 V300 I301 G305 Q306 A307H150-T303 PolarHBondContact CD2-OG1 3.01Å; V155-T303 HydrophobicContact CG2-CG2 4.42Å; V160-T303 HydrophobicContact CB-CG2 4.03Å; V160-T303 HydrophobicContact CG2-CG2 3.91Å; Y162-T303 HydrophobicContact CE2-CG2 4.43Å; Y162-T303 PolarHBondContact OH-OG1 3.03Å; V236-T303 HydrophobicContact CB-CG2 4.21Å; V236-T303 HydrophobicContact CG1-CG2 3.93Å; D299-T303 VanDerWaalsContact O-CB 3.29Å; D299-T303 WeakPolarHBondContact O-CB 3.43Å; D299-T303 PolarHBondContact O-N 3.02Å; D299-T303 PolarHBondContact O-OG1 3.24Å; V300-T303 PolarHBondContact O-N 3.04Å; I301-T303 PolarHBondContact O-N 3.1Å; T303-G305 VanDerWaalsContact C-N 3.31Å; T303-Q306 PolarHBondContact O-N 2.98Å; T303-A307 WeakPolarHBondContact O-CB 3.16Å; T303-A307 PolarHBondContact O-N 3.36Å
304I92.5Very high88.5Confident2 Ų240.5 Ų40.51%0.0120%0.204CC..Hα-helixtrans-61-43.7168-69.1167.4000109.7V236 L241 V300 I301 A307 F308V236-I304 HydrophobicContact CG1-CG1 4.03Å; V236-I304 HydrophobicContact CG2-CG1 4.15Å; L241-I304 HydrophobicContact CD1-CD1 3.99Å; L241-I304 HydrophobicContact CD1-CG1 4.15Å; L241-I304 HydrophobicContact CD2-CG1 4.08Å; V300-I304 HydrophobicContact CG1-CD1 3.71Å; V300-I304 HydrophobicContact CG1-CG1 4.46Å; V300-I304 WeakPolarHBondContact O-CB 3.49Å; V300-I304 VanDerWaalsContact O-CG1 3.23Å; V300-I304 WeakPolarHBondContact O-CG1 3.31Å; V300-I304 PolarHBondContact O-N 3.47Å; I301-I304 PolarHBondContact O-N 2.92Å; I304-A307 PolarHBondContact O-N 3.23Å; I304-F308 HydrophobicContact CG2-CD2 3.89Å; I304-F308 HydrophobicContact CG2-CE2 3.83Å; I304-F308 WeakPolarHBondContact O-CD2 3.49Å; I304-F308 PolarHBondContact O-N 3.16Å
305G91.5Very high88.5Confident6 Ų636.8 Ų36.86%0.06218%0.183CC..Hα-helixtrans-59.4-44174.300000113.7I301 S302 T303 F308 E309I301-G305 PolarHBondContact O-N 3.25Å; S302-G305 CarbonylContact O-C 3.52Å; S302-G305 PolarHBondContact O-N 3.48Å; T303-G305 VanDerWaalsContact C-N 3.31Å; G305-F308 WeakPolarHBondContact O-CB 3.43Å; G305-F308 PolarHBondContact O-N 3.37Å; G305-E309 PolarHBondContact O-N 2.93Å
306Q89.4Confident88.4Confident1 Ų138.6 Ų38.61%0.00518%0.18CC..Hα-helixtrans-62.4-45.1174-174179.86.600111.6W148 H150 N152 S302 T303 F308 E309 L310W148-Q306 HydrophobicContact CB-CG 4.3Å; W148-Q306 HydrophobicContact CD2-CB 3.77Å; W148-Q306 HydrophobicContact CD2-CG 3.77Å; W148-Q306 HydrophobicContact CE3-CB 3.75Å; W148-Q306 HydrophobicContact CE3-CG 4.26Å; W148-Q306 HydrophobicContact CG-CB 4.29Å; W148-Q306 HydrophobicContact CG-CG 3.79Å; W148-Q306 HydrophobicContact CH2-CB 4.26Å; W148-Q306 HydrophobicContact CZ2-CB 4.26Å; W148-Q306 HydrophobicContact CZ3-CB 4.01Å; H150-Q306 PolarHBondContact O-NE2 2.71Å; H150-Q306 PolarHBondContact O-OE1 2.97Å; N152-Q306 PolarHBondContact OD1-NE2 2.93Å; S302-Q306 PolarHBondContact O-N 2.77Å; T303-Q306 PolarHBondContact O-N 2.98Å; Q306-F308 VanDerWaalsContact C-N 3.3Å; Q306-F308 PolarHBondContact O-N 3.37Å; Q306-E309 PolarHBondContact O-N 3.1Å; Q306-E309 VanDerWaalsContact O-N 3.15Å; Q306-L310 HydrophobicContact CG-CD1 3.9Å; Q306-L310 HydrophobicContact CG-CG 4.35Å; Q306-L310 WeakPolarHBondContact O-CB 3.31Å; Q306-L310 WeakPolarHBondContact O-CG 3.24Å; Q306-L310 PolarHBondContact O-N 3.37Å
307A91.7Very high87.7Confident0 Ų046.9 Ų46.90%021%0.207CC..Hα-helixtrans-61.1-38.7177.600000111.8V155 V236 M257 T303 I304 R311V155-A307 HydrophobicContact CG1-CB 3.67Å; V236-A307 HydrophobicContact CG1-CB 4.06Å; M257-A307 HydrophobicContact CE-CB 3.77Å; T303-A307 WeakPolarHBondContact O-CB 3.16Å; T303-A307 PolarHBondContact O-N 3.36Å; I304-A307 PolarHBondContact O-N 3.23Å; A307-R311 WeakPolarHBondContact O-CB 3.25Å; A307-R311 PolarHBondContact O-N 2.82Å
308F90.3Very high86.4Confident53 Ų5353.2 Ų53.223%0.23224%0.241CC..Hα-helixtrans-62.7-47.4169.9-88.3-65.7000112.9M257 I260 I304 G305 Q306 L310 R311 F312M257-F308 HydrophobicContact CG-CD1 4.14Å; M257-F308 HydrophobicContact CG-CE1 4.16Å; M257-F308 HydrophobicContact SD-CD1 3.91Å; M257-F308 HydrophobicContact SD-CD2 4.02Å; M257-F308 HydrophobicContact SD-CE1 3.78Å; M257-F308 HydrophobicContact SD-CE2 3.89Å; M257-F308 HydrophobicContact SD-CG 4.04Å; M257-F308 HydrophobicContact SD-CZ 3.78Å; I260-F308 HydrophobicContact CB-CZ 3.77Å; I260-F308 HydrophobicContact CG2-CE2 4.04Å; I260-F308 HydrophobicContact CG2-CZ 3.68Å; I304-F308 HydrophobicContact CG2-CD2 3.89Å; I304-F308 HydrophobicContact CG2-CE2 3.83Å; I304-F308 WeakPolarHBondContact O-CD2 3.49Å; I304-F308 PolarHBondContact O-N 3.16Å; G305-F308 WeakPolarHBondContact O-CB 3.43Å; G305-F308 PolarHBondContact O-N 3.37Å; Q306-F308 VanDerWaalsContact C-N 3.3Å; Q306-F308 PolarHBondContact O-N 3.37Å; F308-L310 PolarHBondContact O-N 3.32Å; F308-R311 PolarHBondContact O-N 2.99Å; F308-F312 VanDerWaalsContact O-CB 3.28Å; F308-F312 WeakPolarHBondContact O-CB 3.37Å; F308-F312 PolarHBondContact O-N 3.36Å
309E89.1Confident85Confident18 Ų1854.2 Ų54.28%0.08425%0.253CS..Hα-helixtrans-61.1-44.1179.5-158.3-152.2-171.200111.2S139 K143 W148 G305 Q306 K313S139-E309 PolarHBondContact OG-OE1 3.19Å; K143-E309 VanDerWaalsContact CE-OE1 3.22Å; K143-E309 WeakPolarHBondContact CE-OE1 3.45Å; K143-E309 IonicContact NZ-OE1 2.71Å; K143-E309 PolarHBondContact NZ-OE1 3.21Å; K143-E309 IonicContact NZ-OE2 3.69Å; W148-E309 HydrophobicContact CZ2-CB 4.14Å; W148-E309 PolarHBondContact NE1-OE2 3.01Å; G305-E309 PolarHBondContact O-N 2.93Å; Q306-E309 PolarHBondContact O-N 3.1Å; Q306-E309 VanDerWaalsContact O-N 3.15Å; E309-K313 VanDerWaalsContact O-CG 3.3Å; E309-K313 WeakPolarHBondContact O-CG 3.45Å; E309-K313 PolarHBondContact O-N 2.84Å; E309-K313 WeakPolarHBondContact OE1-CE 3.49Å; E309-K313 IonicContact OE1-NZ 2.72Å; E309-K313 PolarHBondContact OE1-NZ 2.97Å; E309-K313 IonicContact OE2-NZ 2.87Å; E309-K313 PolarHBondContact OE2-NZ 3.09Å
310L88.9Confident83.1Confident14 Ų1455.9 Ų55.97%0.07327%0.267CS..Hα-helixtrans-68-45.4178.6-68.8172.8000112.2N152 V155 M156 T238 Q306 F308 F312 K313 Q314N152-L310 HydrophobicContact CB-CD1 3.81Å; N152-L310 HydrophobicContact CB-CD2 3.9Å; V155-L310 HydrophobicContact CB-CD1 4.02Å; V155-L310 HydrophobicContact CG1-CD1 4.19Å; M156-L310 HydrophobicContact CG-CD1 4.22Å; M156-L310 HydrophobicContact SD-CD1 4.43Å; M156-L310 HydrophobicContact SD-CD2 4.3Å; T238-L310 HydrophobicContact CG2-CB 3.7Å; T238-L310 HydrophobicContact CG2-CD1 4.44Å; Q306-L310 HydrophobicContact CG-CD1 3.9Å; Q306-L310 HydrophobicContact CG-CG 4.35Å; Q306-L310 WeakPolarHBondContact O-CB 3.31Å; Q306-L310 WeakPolarHBondContact O-CG 3.24Å; Q306-L310 PolarHBondContact O-N 3.37Å; F308-L310 PolarHBondContact O-N 3.32Å; L310-F312 VanDerWaalsContact C-N 3.29Å; L310-F312 PolarHBondContact O-N 2.94Å; L310-K313 PolarHBondContact O-N 2.99Å; L310-Q314 WeakPolarHBondContact O-CG 3.32Å; L310-Q314 PolarHBondContact O-N 2.86Å
311R85.8Confident80.9Confident60 Ų6065.2 Ų65.223%0.22631%0.307CS..Hα-helixtrans-68.2-28.1178.5-174-102.6156.3-170.8-15.2112.5T238 M257 A307 F308 Y315T238-R311 HydrophobicContact CG2-CB 4.36Å; T238-R311 WeakPolarHBondContact O-CG 3.41Å; M257-R311 HydrophobicContact CG-CB 4.38Å; M257-R311 HydrophobicContact CG-CG 4.34Å; A307-R311 WeakPolarHBondContact O-CB 3.25Å; A307-R311 PolarHBondContact O-N 2.82Å; F308-R311 PolarHBondContact O-N 2.99Å; R311-Y315 WeakPolarHBondContact O-CB 3.39Å; R311-Y315 PolarHBondContact O-N 3.17Å; R311-Y315 VanDerWaalsContact O-N 3.1Å
312F83.7Confident78.7Confident99 Ų9971.9 Ų71.943%0.43434%0.343SS..Hα-helixtrans-70.5-43.5169.5-175.9-110.9000111.8W134 F308 L310 Q314 Y315 L316W134-F312 HydrophobicContact CZ3-CE1 4.49Å; W134-F312 HydrophobicContact CZ3-CZ 4.16Å; F308-F312 VanDerWaalsContact O-CB 3.28Å; F308-F312 WeakPolarHBondContact O-CB 3.37Å; F308-F312 PolarHBondContact O-N 3.36Å; L310-F312 VanDerWaalsContact C-N 3.29Å; L310-F312 PolarHBondContact O-N 2.94Å; F312-Q314 VanDerWaalsContact C-N 3.33Å; F312-Q314 PolarHBondContact O-N 2.92Å; F312-Y315 WeakPolarHBondContact O-CB 3.41Å; F312-Y315 PolarHBondContact O-N 2.98Å; F312-Y315 VanDerWaalsContact O-N 3.12Å; F312-L316 HydrophobicContact CD1-CD1 4.09Å; F312-L316 HydrophobicContact CE1-CD1 3.61Å; F312-L316 HydrophobicContact CE1-CG 4.26Å; F312-L316 HydrophobicContact CZ-CD1 3.98Å; F312-L316 HydrophobicContact CZ-CD2 4.37Å; F312-L316 HydrophobicContact CZ-CG 4.27Å; F312-L316 PolarHBondContact O-N 3.33Å
313K85.3Confident76.3Confident90 Ų9076.8 Ų76.839%0.39137%0.372SS..Hα-helixtrans-62-37.3173.5-72.5166.1-177.5172.40112.8E309 L310 L316 R317E309-K313 VanDerWaalsContact O-CG 3.3Å; E309-K313 WeakPolarHBondContact O-CG 3.45Å; E309-K313 PolarHBondContact O-N 2.84Å; E309-K313 WeakPolarHBondContact OE1-CE 3.49Å; E309-K313 IonicContact OE1-NZ 2.72Å; E309-K313 PolarHBondContact OE1-NZ 2.97Å; E309-K313 IonicContact OE2-NZ 2.87Å; E309-K313 PolarHBondContact OE2-NZ 3.09Å; L310-K313 PolarHBondContact O-N 2.99Å; K313-L316 PolarHBondContact O-N 2.85Å; K313-R317 PolarHBondContact O-N 2.99Å
314Q80.7Confident74.2Confident78 Ų7881 Ų8136%0.36440%0.398SS..Hα-helixtrans-61.7-45.2170.7-75.7176-39.900111.5L310 F312 L316 R317 N318L310-Q314 WeakPolarHBondContact O-CG 3.32Å; L310-Q314 PolarHBondContact O-N 2.86Å; F312-Q314 VanDerWaalsContact C-N 3.33Å; F312-Q314 PolarHBondContact O-N 2.92Å; Q314-L316 VanDerWaalsContact C-N 3.31Å; Q314-L316 PolarHBondContact O-N 3.34Å; Q314-R317 PolarHBondContact O-N 2.82Å; Q314-N318 PolarHBondContact O-N 2.81Å
315Y79.4Confident72Confident111 Ų11187 Ų8744%0.43544%0.436SS..Hα-helixtrans-63.4-32.5177.6-179.2-91.1000113.3R311 F312 N318 P319 P320R311-Y315 WeakPolarHBondContact O-CB 3.39Å; R311-Y315 PolarHBondContact O-N 3.17Å; R311-Y315 VanDerWaalsContact O-N 3.1Å; F312-Y315 WeakPolarHBondContact O-CB 3.41Å; F312-Y315 PolarHBondContact O-N 2.98Å; F312-Y315 VanDerWaalsContact O-N 3.12Å; Y315-N318 CarbonylContact O-C 3.56Å; Y315-P319 VanDerWaalsContact O-CA 3.24Å; Y315-P319 WeakPolarHBondContact O-CA 3.35Å; Y315-P319 VanDerWaalsContact O-N 3.13Å; Y315-P320 HydrophobicContact CD2-CG 4.34Å; Y315-P320 VanDerWaalsContact CE2-CD 3.47Å; Y315-P320 HydrophobicContact CE2-CG 3.91Å
316L79.4Confident69.8Low91 Ų9194 Ų9448%0.47647%0.467SS..Hα-helixtrans-76.3-37.7173.7-67.6178.9000113W134 F312 K313 Q314W134-L316 HydrophobicContact CE3-CD1 4.2Å; W134-L316 HydrophobicContact CZ3-CD1 4.47Å; F312-L316 HydrophobicContact CD1-CD1 4.09Å; F312-L316 HydrophobicContact CE1-CD1 3.61Å; F312-L316 HydrophobicContact CE1-CG 4.26Å; F312-L316 HydrophobicContact CZ-CD1 3.98Å; F312-L316 HydrophobicContact CZ-CD2 4.37Å; F312-L316 HydrophobicContact CZ-CG 4.27Å; F312-L316 PolarHBondContact O-N 3.33Å; K313-L316 PolarHBondContact O-N 2.85Å; Q314-L316 VanDerWaalsContact C-N 3.31Å; Q314-L316 PolarHBondContact O-N 3.34Å
317R74.6Confident67.6Low219 Ų21999.5 Ų99.583%0.82650%0.497SS*.Hα-helixtrans-72.6-41177.7-81.1-174.1166.4-175.2-5113.1K313 Q314K313-R317 PolarHBondContact O-N 2.99Å; Q314-R317 PolarHBondContact O-N 2.82Å
318N62.3Low65.4Low134 Ų134110.7 Ų110.772%0.71754%0.539SS*.SBendtrans-13080.3178.4-72.4-35.1000107.9Q314 Y315Q314-N318 PolarHBondContact O-N 2.81Å; Y315-N318 CarbonylContact O-C 3.56Å
319P59.3Low63.1Low82 Ų82116.3 Ų116.353%0.53257%0.568SS.*PPolyproline II helixtrans-56.4132.9167.225-33.3000107.9Y315 K321Y315-P319 VanDerWaalsContact O-CA 3.24Å; Y315-P319 WeakPolarHBondContact O-CA 3.35Å; Y315-P319 VanDerWaalsContact O-N 3.13Å; P319-K321 PolarHBondContact O-N 3.34Å; P319-K321 VanDerWaalsContact O-N 3.1Å
320P52.8Low60.7Low89 Ų89119.9 Ų119.958%0.57860%0.6SS**PPolyproline II helixtrans-58123.6177.625-32.8000107.6Y315 L322Y315-P320 HydrophobicContact CD2-CG 4.34Å; Y315-P320 VanDerWaalsContact CE2-CD 3.47Å; Y315-P320 HydrophobicContact CE2-CG 3.91Å; P320-L322 PolarHBondContact O-N 2.85Å
321K46.4Very low58.4Low195 Ų195122.2 Ų122.285%0.84863%0.628SS**PPolyproline II helixtrans-48.9119.3-179.9-71-175.1179.5-178.40107.9P319 V323P319-K321 PolarHBondContact O-N 3.34Å; P319-K321 VanDerWaalsContact O-N 3.1Å; K321-V323 PolarHBondContact O-N 2.9Å
322L46.4Very low55.8Low158 Ų158128.9 Ų128.983%0.82766%0.659SS**  trans-59.7114.7173.8-165.6100000105.9P320 T324P320-L322 PolarHBondContact O-N 2.85Å; L322-T324 VanDerWaalsContact C-N 3.31Å; L322-T324 PolarHBondContact O-N 2.89Å
323V39.5Very low53.9Low113 Ų113130.3 Ų130.369%0.68567%0.671SS**  trans-6795.5-175.8179.10000107.9K321 D327K321-V323 PolarHBondContact O-N 2.9Å; V323-D327 HydrophobicContact CG1-CB 4.28Å
324T49.7Very low51.5Low88 Ų88129.2 Ų129.254%0.5469%0.686SS.*  trans-63.8146.5166.848.90000107.8L322 H326 D327L322-T324 VanDerWaalsContact C-N 3.31Å; L322-T324 PolarHBondContact O-N 2.89Å; T324-H326 PolarHBondContact O-N 2.94Å; T324-D327 PolarHBondContact O-N 3.4Å
325P45.8Very low49.5Very low127 Ų127131.4 Ų131.483%0.82571%0.71SS**THydrogen-bonded Turntrans-58.9-10-174.2-27.936.5000116
326H45.6Very low47.7Very low153 Ų153129.2 Ų129.271%0.70871%0.714SS**THydrogen-bonded Turntrans-69.8-25.4-179.2-122.8-70.9000114.4T324 R328 M329T324-H326 PolarHBondContact O-N 2.94Å; H326-R328 PolarHBondContact O-N 3Å; H326-M329 PolarHBondContact O-N 3.26Å
327D43Very low45.4Very low117 Ų117136 Ų13663%0.62673%0.734SS**THydrogen-bonded Turntrans-7628.4-175.5-142.8-0.1000113.1V323 T324V323-D327 HydrophobicContact CG1-CB 4.28Å; T324-D327 PolarHBondContact O-N 3.4Å
328R45.5Very low43.3Very low236 Ų236132.1 Ų132.189%0.89173%0.73SS**THydrogen-bonded Turntrans-120.90.5-180-128.1177.1-175.6154.52.1113.5H326H326-R328 PolarHBondContact O-N 3Å
329M41Very low42.4Very low170 Ų170134 Ų13484%0.83773%0.734SS**  trans-118.79.1176.5-68.6-175.1174.700113.6H326 G331H326-M329 PolarHBondContact O-N 3.26Å; M329-G331 PolarHBondContact O-N 3.12Å
330A40.3Very low41.2Very low93 Ų93140.1 Ų140.177%0.76976%0.756SS**  trans-75.459.3171.200000111.5
331G40.4Very low40.8Very low64 Ų64145.3 Ų145.366%0.6677%0.772SS**  trans-106.5112.6-179.600000111.9M329M329-G331 PolarHBondContact O-N 3.12Å
332F31.5Very low40.3Very low199 Ų199145.1 Ų145.187%0.87377%0.774SS**SBendtrans68.7133.8159.1-158.8-98000118.5
333D42.8Very low40.1Very low129 Ų129146.5 Ų146.569%0.6978%0.776SS**  trans-31.6140.2166.7-173.57.6000116.3
334G35.7Very low40.2Very low67 Ų67146.8 Ų146.869%0.69178%0.781SS**  trans-170.332.3-175.500000115.4A336G334-A336 VanDerWaalsContact C-N 3.33Å; G334-A336 PolarHBondContact O-N 3.36Å
335S38.8Very low40Very low125 Ų125147.4 Ų147.487%0.87479%0.786SS**  trans-81.571.2178.8-67.20000112.9
336A41.3Very low39.8Very low64 Ų64148.9 Ų148.953%0.52979%0.787SS.*  trans-155.1138.6168.500000111.1G334G334-A336 VanDerWaalsContact C-N 3.33Å; G334-A336 PolarHBondContact O-N 3.36Å
337W30.6Very low40.3Very low235 Ų235150 Ų15089%0.8979%0.792SS**  trans65.2136.3179.6-32.7101.3000114.6
338D30.5Very low40.3Very low137 Ų137152.1 Ų152.173%0.73380%0.798SS**  cis-152.9174.9-22.7-142.2-26.1000108.3
339E42.4Very low40.3Very low174 Ų174149.6 Ų149.681%0.81379%0.79SS**  trans-76.5127.7164.7-68.5175.29000110.2
340E34.3Very low40.9Very low210 Ų210149.3 Ų149.398%0.98178%0.781SS**  trans-170.9164.3131.2-105.7179.312600112.2
341E44.6Very low41.6Very low198 Ų198150.9 Ų150.993%0.92578%0.776SS**  trans-117.1114.9-161.9178.7-177150.900111
342E35.9Very low42.4Very low191 Ų191153.9 Ų153.989%0.89378%0.777SS**  trans-146.9132172.2-160.3171.4-162.200112.1
343E42.9Very low43Very low187 Ų187151.5 Ų151.587%0.87477%0.767SS**PPolyproline II helixtrans-78.4128.8-179.2-69-175.9107.700112.3
344P41.5Very low43.3Very low119 Ų119151.6 Ų151.677%0.77378%0.775SS**PPolyproline II helixtrans-78.3135.6169.631.3-32.6000111.2
345P44.5Very low44.2Very low101 Ų101152.4 Ų152.466%0.65678%0.782SS**PPolyproline II helixtrans-78156.2-171.130.9-37000114.7H347P345-H347 PolarHBondContact O-N 2.96Å
346D43.5Very low44.6Very low157 Ų157153.6 Ų153.684%0.8477%0.772SS**  trans-56.2104.6174.6-96.8-42.8000112.8Q348D346-Q348 PolarHBondContact O-N 3.19Å
347H54.3Low45Very low176 Ų176159.3 Ų159.382%0.81579%0.788SS**  trans-9889.8169.8-81.1-22.2000111.5P345P345-H347 PolarHBondContact O-N 2.96Å
348Q43.9Very low45.9Very low163 Ų163153.5 Ų153.576%0.76278%0.78SS**  trans-52.2132.9179.1-65.3164.93.500112.1D346D346-Q348 PolarHBondContact O-N 3.19Å
349Y45.1Very low46.8Very low183 Ų183153.1 Ų153.172%0.71879%0.785SS**  trans-77.3158.3-173.9-164.2-105.5000111.9N351Y349-N351 PolarHBondContact O-N 3.38Å
350Y53.9Low46.8Very low164 Ų164153.3 Ų153.364%0.64379%0.791SS**THydrogen-bonded Turntrans-66.77.9-164-170.6-104.5000116.5K356Y350-K356 PolarHBondContact OH-NZ 3.24Å; Y350-K356 VanDerWaalsContact OH-NZ 3.14Å
351N55.6Low46.9Very low126 Ų126147.3 Ų147.367%0.67479%0.785SS**THydrogen-bonded Turntrans-102.7-14.4-175.1-69.2-24.8000114.8Y349 F353Y349-N351 PolarHBondContact O-N 3.38Å; N351-F353 VanDerWaalsContact C-N 3.28Å; N351-F353 PolarHBondContact O-N 3.46Å
352D56.2Low46.4Very low127 Ų127141.4 Ų141.468%0.67978%0.777SS**  trans-8716.3-172.9-66.9-67000114.9P354D352-P354 WeakPolarHBondContact O-CD 3.3Å
353F44.8Very low46.9Very low149 Ų149139.4 Ų139.465%0.65478%0.778SS**SBendtrans-97.3110.2171.5-73.3-79.9000111.3N351 G355N351-F353 VanDerWaalsContact C-N 3.28Å; N351-F353 PolarHBondContact O-N 3.46Å; F353-G355 PolarHBondContact O-N 3.06Å
354P48.1Very low46.9Very low131 Ų131137.1 Ų137.185%0.85178%0.777SS**THydrogen-bonded Turntrans-68.4130.9177.627.8-33.8000111.1D352D352-P354 WeakPolarHBondContact O-CD 3.3Å
355G55.8Low46.6Very low83 Ų83137.2 Ų137.286%0.85677%0.77SS**THydrogen-bonded Turntrans102.729169.800000117.2F353F353-G355 PolarHBondContact O-N 3.06Å
356K47.7Very low46.3Very low150 Ų150141.1 Ų141.165%0.65278%0.782SS**  trans-109.9124.8164.5-77.4-171177.11760112.2Y350Y350-K356 PolarHBondContact OH-NZ 3.24Å; Y350-K356 VanDerWaalsContact OH-NZ 3.14Å
357E49.3Very low46.2Very low185 Ų185143.8 Ų143.886%0.86478%0.78SS**PPolyproline II helixtrans-82.2144173.9-63.4173-120.600111.1
358P49.7Very low45.1Very low112 Ų112143.1 Ų143.173%0.72778%0.782SS**PPolyproline II helixtrans-73.5143.1175.330.5-34.1000111.4
359P48.3Very low44.6Very low129 Ų129146 Ų14684%0.83879%0.786SS**PPolyproline II helixtrans-66.8138-179.527.4-34.5000112.1G361P359-G361 PolarHBondContact O-N 3.02Å
360L42.8Very low43.9Very low179 Ų179146 Ų14694%0.93779%0.793SS**PPolyproline II helixtrans-66.9127.3-178.2-63.5173.2000111.8
361G36.3Very low42.6Very low84 Ų84141.8 Ų141.887%0.86680%0.799SS**PPolyproline II helixtrans-75.3134172.400000112.2P359P359-G361 PolarHBondContact O-N 3.02Å
362G35.3Very low41.4Very low73 Ų73141 Ų14175%0.75381%0.81SS**  trans-152.9138.7176.800000111.6
363V46.3Very low40Very low150 Ų150139.5 Ų139.591%0.90982%0.815SS**  trans-79.8146.4-177.8-71.90000112.5
364V41.6Very low39.8Very low139 Ų139138.7 Ų138.784%0.84282%0.824SS**  trans-132.6117.2164.7-176.70000108.1
365D36.3Very low38.7Very low120 Ų120135.7 Ų135.764%0.64282%0.818SS**  trans-80.7136.5172.6-166.8-43.9000109.2R367D365-R367 WeakPolarHBondContact OD1-CB 3.43Å; D365-R367 PolarHBondContact OD1-N 2.64Å
366M38.6Very low37.5Very low183 Ų183136.9 Ų136.990%0.90182%0.819SS**  trans-100.714.6-175.3-140.3-179.185.800113.9L368M366-L368 PolarHBondContact O-N 2.75Å
367R40.2Very low36.6Very low213 Ų213133.7 Ų133.780%0.80482%0.821SS**  trans-89.282.1173.6-69.9-162.7-177.299.2-6.7113.7D365D365-R367 WeakPolarHBondContact OD1-CB 3.43Å; D365-R367 PolarHBondContact OD1-N 2.64Å
368L31.5Very low35.6Very low163 Ų163136.5 Ų136.585%0.85382%0.824SS**  trans-158.6157.3149.3-141.871000112.9M366M366-L368 PolarHBondContact O-N 2.75Å
369R34.3Very low34.6Very low224 Ų224135.4 Ų135.485%0.84582%0.819SS**  trans71.183.9165.4-156.7164178.5142.8-7.9114.8
370E29.1Very low33.6Very low183 Ų183135.7 Ų135.786%0.85582%0.818SS**  59.9130.674.2-61.4-178.689.600115.3
371G27.5Very low33Very low75 Ų75131.5 Ų131.577%0.77381%0.81SS**  trans148.4102.5155.800000117
372A29Very low33.2Very low110 Ų110133.2 Ų133.291%0.90981%0.806SS**  trans60.1129.7152.800000121.8
373A27.5Very low32.8Very low94 Ų94135 Ų13578%0.77781%0.806SS**  trans-112.1-168.6147.600000107.1
374P40.7Very low31.9Very low132 Ų132131.6 Ų131.686%0.85779%0.794SS**  cis-131.9-174.7-10.842.3-26.6000113.3
375G25.7Very low31.2Very low69 Ų69133.9 Ų133.971%0.71180%0.795SS**  trans153.2129.4151.300000118.4
376A29.8Very low31Very low107 Ų107134.7 Ų134.788%0.88481%0.805SS**  trans58.2163.8158.100000120.3
377A28.7Very low31Very low84 Ų84131.4 Ų131.469%0.69480%0.797SS**  cis-174.9137.6-4900000109.6
378R28.5Very low30.4Very low243 Ų243126.8 Ų126.892%0.91780%0.798SS**  trans63.3162.1163.4-69.9176.9167.5178.2-6117.6
379S28.3Very low30.2Very low89 Ų89127 Ų12762%0.62279%0.794SS**  cis-168.4164.9-33.257.50000111.2
380T27.8Very low30.2Very low136 Ų136123.8 Ų123.883%0.83479%0.793SS**  trans67.7136.2154.538.90000120.5
381A30.9Very low30Very low91 Ų91118.4 Ų118.475%0.75279%0.786SS**  trans-92.3-178.7167.200000111.3
382P38.7Very low30.1Very low120 Ų120119.8 Ų119.878%0.77979%0.79SS**  -152.4173.29742.6-26.3000116.9
383S26.9Very low30.2Very low110 Ų110121 Ų12177%0.76979%0.786SS**  trans26.1145.7134.9-175.30000122.1
384A28.3Very low30.5Very low79 Ų79123.5 Ų123.565%0.65379%0.786SS**  cis179.4-173.7-17.900000109.4
385Q27.3Very low30.2Very low186 Ų186123.4 Ų123.487%0.86979%0.785SS**  trans79.8132.4158.2-56.7177.521.400120.3
386T32.6Very low30.3Very low137 Ų137126.7 Ų126.784%0.8479%0.792SS**  trans-141.6138.7155.546.90000110.5
387P36.9Very low30.1Very low114 Ų114125 Ų12574%0.7478%0.784SS**  trans-84.2150.7172.232.8-32.4000112
388S29.1Very low30.2Very low117 Ų117130.1 Ų130.182%0.81879%0.794SS**  62.7134.470.6-460000113.2
389H27.2Very low30.9Very low167 Ų167123.5 Ų123.577%0.77378%0.783SS**  cis-165.6-177.37.1-172.1-122.4000111.2
390L33.7Very low30.8Very low157 Ų157126 Ų12682%0.82279%0.793SS**  trans76.5145.6168.6-51.9168000118.4
391G26Very low30.7Very low69 Ų69123 Ų12371%0.71179%0.789SS**  cis161.6131.6-16.400000117
392A29.5Very low30.5Very low104 Ų104122.6 Ų122.686%0.8680%0.795SS**  trans65.5166.7165.900000117.7
393T29.8Very low30Very low135 Ų135123.8 Ų123.883%0.82879%0.794SS**  cis-139.3169.313.9510000114.4
394L33.6Very low30.5Very low147 Ų147124.3 Ų124.377%0.7780%0.796SS**  trans-82.4174.8166.1-67.5170.3000112.5
395P35.3Very low30.5Very low130 Ų130127.2 Ų127.284%0.84480%0.796SS**  -139.7-175100.640.3-28.3000115.4
396V27.4Very low30.6Very low139 Ų139124.4 Ų124.484%0.84279%0.791SS**  trans-131.5146.8-172.2171.90000110.3
397G25.9Very low30.3Very low71 Ų71126.6 Ų126.673%0.73278%0.783SS**  trans171.9119.9166.900000117.7
398Q31.6Very low29.8Very low191 Ų191130.1 Ų130.189%0.89379%0.787SS**  trans-99-172.1154.7-75-168.1-0.500108.2
399P42.5Very low29.8Very low105 Ų105132 Ų13268%0.68278%0.783SS**  cis-143.8-163.29.833.1-6.2000116.7
400V27Very low30.1Very low140 Ų140132.4 Ų132.485%0.84879%0.788SS**  trans76.5138.4165.7-165.90000116
401G25.1Very low30.3Very low73 Ų73130.4 Ų130.475%0.75378%0.784SS**  cis140.1134.5-10.200000114.1
402G26Very low31Very low84 Ų84132.4 Ų132.487%0.86678%0.784SS**  trans135.7118.316800000116
403D27.7Very low31.4Very low144 Ų144133.4 Ų133.477%0.7778%0.782SS**  trans-99.9155.3155.3-167.1-117000107.4E405D403-E405 PolarHBondContact OD1-N 3.5Å
404P38.5Very low32Very low122 Ų122132.7 Ų132.779%0.79278%0.78SS**  -145.4133.410133.7-16000116.6
405E27.5Very low31.9Very low140 Ų140131.3 Ų131.365%0.65478%0.78SS**  trans-8143.1145.6-153.7-158115.100119D403D403-E405 PolarHBondContact OD1-N 3.5Å
406V29.6Very low31.8Very low126 Ų126131.3 Ų131.376%0.76478%0.781SS**  -175.6100.1122.9145.60000114.5
407R25.8Very low31.8Very low183 Ų183130.6 Ų130.669%0.69178%0.78SS**  50.2112.2125.9-166-165.9-161.9109.4-6.3122.1
408K27.1Very low31.8Very low188 Ų188132.5 Ų132.582%0.81779%0.788SS**  -168.1103.4127.8-106.4165-177.9178.10109.5
409Q28.7Very low31.5Very low157 Ų157126.5 Ų126.573%0.73478%0.778SS**  96.2121.173.2-89.7-176.9-34.300113
410M33.3Very low30.8Very low176 Ų176132.7 Ų132.787%0.86779%0.788SS**PPolyproline II helixtrans-99.3143.1-179.5176.6157.85800111.1
411P38Very low30.8Very low115 Ų115133 Ų13375%0.74778%0.779SS**PPolyproline II helixtrans-79.4143.1170.7-11.328.5000112.5
412P40.1Very low31.1Very low110 Ų110135.6 Ų135.671%0.71478%0.776SS**PPolyproline II helixtrans-94.9161.4174.337.2-34.8000113.4
413P38.7Very low31.2Very low125 Ų125140 Ų14081%0.81277%0.771SS**PPolyproline II helixtrans-80.9132.9167.132.3-32.5000112.3
414P42.1Very low31.3Very low120 Ų120139.9 Ų139.978%0.77977%0.77SS**  trans-89.1174.9171.737.3-34.8000112.3
415P32.6Very low31Very low119 Ų119139.4 Ų139.477%0.77376%0.762SS**  trans-109.7170.2-131.339.7-37.1000116.7P417P415-P417 WeakPolarHBondContact O-CD 3.49Å
416C32.4Very low31.6Very low129 Ų129138.7 Ų138.787%0.87277%0.769SS**PPolyproline II helixtrans-77.2130.2165.9-530000111.9
417P28.5Very low31.9Very low125 Ų125136.7 Ų136.781%0.81276%0.761SS**PPolyproline II helixtrans-87.2148.1147.834.1-29.6000110.2P415P415-P417 WeakPolarHBondContact O-CD 3.49Å
418A25.8Very low32.1Very low110 Ų110139.1 Ų139.191%0.90977%0.771SS**PPolyproline II helixtrans-92.5156.6-178.600000112.7
419G25.4Very low32.3Very low66 Ų66136.8 Ų136.868%0.6877%0.772SS**  trans163.381.5161.600000119.2
420R27.3Very low32.4Very low235 Ų235135.9 Ų135.989%0.88777%0.773SS**  trans68.3154142.6-64-171.7176.1-156.1-2.9118.6
421E26.3Very low32.6Very low145 Ų145133.9 Ų133.968%0.67877%0.77SS**  cis-163.1162.3-14.7-97.5-112.2139.200108.6
422L30.9Very low32.3Very low128 Ų128135.8 Ų135.867%0.6777%0.769SS**  trans72.2154.7155.9-69.1155000121.5
423F29.7Very low31.7Very low178 Ų178137.6 Ų137.678%0.78177%0.773SS**  trans69.7135.1170-56.6-71000118.7
424D29.2Very low31.2Very low140 Ų140139.5 Ų139.575%0.74978%0.775SS**  cis-159.3156.5-25-143.9-144.9000109.7
425D30.9Very low30.5Very low113 Ų113139 Ų13960%0.60477%0.766SS**  trans-111.4129.5177.9177.559.1000111.8S427D425-S427 WeakPolarHBondContact OD2-CB 3.34Å; D425-S427 PolarHBondContact OD2-N 2.95Å; D425-S427 PolarHBondContact OD2-OG 3.47Å
426P41.5Very low30.2Very low125 Ų125140.5 Ų140.581%0.81276%0.761SS**  trans-110.790.6156.95.915.8000110
427S35.7Very low30Very low84 Ų84140.4 Ų140.459%0.58776%0.756SS**PPolyproline II helixtrans-71.4155.6-178.114.90000114.4D425 V429D425-S427 WeakPolarHBondContact OD2-CB 3.34Å; D425-S427 PolarHBondContact OD2-N 2.95Å; D425-S427 PolarHBondContact OD2-OG 3.47Å; S427-V429 PolarHBondContact O-N 3.43Å
428Y28.9Very low30Very low233 Ų233145.6 Ų145.691%0.91476%0.759SS**PPolyproline II helixtrans-58.9121.8173.6-144.7-102.6000111.3
429V32.5Very low30.1Very low139 Ų139149.1 Ų149.184%0.84276%0.757SS**PPolyproline II helixtrans-96.1131.4172.7-70.80000111.8S427S427-V429 PolarHBondContact O-N 3.43Å
430N31.2Very low30.2Very low138 Ų138150 Ų15074%0.73876%0.757SS**PPolyproline II helixtrans-94.1155-171.8-166.811.3000112.6
431V36.9Very low30.2Very low134 Ų134146 Ų14681%0.81276%0.758SS**  trans-89.7114.7179.6178.60000110.8
432Q31.1Very low30.2Very low155 Ų155142.5 Ų142.572%0.72476%0.762SS**  trans-143.1130.1162.7-67.9-163.114.200113.6
433N28.3Very low30Very low148 Ų148140.3 Ų140.379%0.79177%0.77SS**  trans42.4122154.4-70.2-54.1000121.5
434L28.8Very low29.9Very low165 Ų165137.1 Ų137.186%0.86478%0.777SS**  trans-142.8113.7130.3-175.658.7000111.3K436L434-K436 WeakPolarHBondContact CD1-O 3.34Å
435D26.5Very low29.7Very low110 Ų110134.3 Ų134.359%0.58878%0.781SS**  trans-126.3126.1170.2179.59.5000108.1
436K26.7Very low29.5Very low151 Ų151136.3 Ų136.366%0.65779%0.791SS**  trans61.8146.7-170.4-53.8113.7-173163.10113.9L434L434-K436 WeakPolarHBondContact CD1-O 3.34Å
437V26.9Very low29.2Very low127 Ų127136.6 Ų136.677%0.7779%0.792SS**  cis-138.5153.332.7163.80000112.1
438R30.2Very low29.1Very low233 Ų233137.7 Ų137.788%0.87979%0.792SS**  trans-94.2120.5171.9-61.4156.772.4-179.16.2110.4
439Q28.1Very low29.7Very low185 Ų185132.7 Ų132.786%0.86479%0.788SS**  trans177.8149.6156.8-102.4149.5111.600108.9
440A26.3Very low29.6Very low83 Ų83129.8 Ų129.869%0.68678%0.778SS**  cis-147.4155.86.500000112.6
441V27.7Very low29.6Very low151 Ų151129.7 Ų129.792%0.91578%0.783SS**  trans44.4130.4146.5179.90000120.2
442G26.5Very low29.2Very low73 Ų73130.4 Ų130.475%0.75378%0.782SS**  cis150156.1-7.700000115.2
443G26.5Very low29.2Very low81 Ų81126.3 Ų126.384%0.83578%0.781SS**  trans86.5151.316800000116.3
444A27.3Very low30Very low112 Ų112125.8 Ų125.893%0.92679%0.789SS**  cis-162.6158.8-1300000110.5
445G25.6Very low30.4Very low81 Ų81122.3 Ų122.384%0.83578%0.784SS**  trans136.2122.9167.800000115.1
446L26.4Very low31.5Very low155 Ų155123.2 Ų123.281%0.81280%0.796SS**  trans-130.7148.4173.1-109.9160.9000107.7N448L446-N448 HydrophobicContact CD2-CB 4.09Å
447P35.6Very low32.1Very low130 Ų130127.7 Ų127.784%0.84481%0.809SS**  -140.5170.690.938.1-24000114.7
448N33.7Very low32.8Very low108 Ų108127.9 Ų127.958%0.57881%0.806SS**  trans-142.6152.9176-166.42.3000107L446 A450L446-N448 HydrophobicContact CD2-CB 4.09Å; N448-A450 PolarHBondContact OD1-N 2.88Å
449P41.8Very low33.5Very low128 Ų128125 Ų12583%0.83181%0.806SS**  -153.3116.7101.735.2-15.3000116.4
450A28.9Very low34.2Very low78 Ų78125 Ų12565%0.64580%0.804SS**  trans-159.57415100000113.3N448 N452N448-A450 PolarHBondContact OD1-N 2.88Å; A450-N452 PolarHBondContact O-N 2.8Å
451V31.9Very low35Very low136 Ų136128.4 Ų128.482%0.82481%0.811SS**  trans19.498.2138.51800000115.1
452N29.5Very low36.4Very low148 Ų148129.1 Ų129.179%0.79181%0.806SS**  49.8139.762-70.7-10.7000115.1A450A450-N452 PolarHBondContact O-N 2.8Å
453G30.4Very low37.6Very low70 Ų70135 Ų13572%0.72281%0.811SS**  cis169.8166.6-100000110.9
454S44.7Very low38.7Very low137 Ų137136.7 Ų136.796%0.95881%0.807SS**  trans-75.8138.3-176.3-51.90000113.4
455A37.5Very low39.7Very low92 Ų92139.3 Ų139.376%0.7680%0.798SS**  trans-142.6155.2174.400000110.4
456P48.6Very low40.8Very low128 Ų128143.5 Ų143.583%0.83180%0.796SS**  trans-81.4159.2-158.132.4-37.1000114.6
457R40.5Very low41.6Very low246 Ų246143.9 Ų143.993%0.92880%0.799SS**  trans-127.7108.1162.9-73.8-165.7174.3-148.3-1.9110.8
458D40.6Very low42.1Very low131 Ų131141.5 Ų141.570%0.70179%0.79SS**  trans33.3143.2151.3-133-48000122.1F460D458-F460 PolarHBondContact OD1-N 3.5Å
459L45.1Very low42.5Very low171 Ų171142.6 Ų142.690%0.89580%0.795SS**SBendtrans-99.5-1.4174.9-85.9162.7000113.5
460F42.8Very low42.6Very low186 Ų186147.8 Ų147.882%0.81680%0.798SS**  trans-117.6-6-168.7-97.3-85.7000118.2D458 M462D458-F460 PolarHBondContact OD1-N 3.5Å; F460-M462 PolarHBondContact O-N 2.9Å
461D43.1Very low43.4Very low154 Ų154149.9 Ų149.982%0.82480%0.802SS**  trans-91.383.1-177.3-158.65.7000113.4
462M58.1Low43.7Very low167 Ų167147.9 Ų147.982%0.82379%0.792SS**  trans-101.8102.8178.7-93.8-92.7-67.500111.8F460F460-M462 PolarHBondContact O-N 2.9Å
463K51.1Low44Very low197 Ų197146.2 Ų146.286%0.85779%0.79SS**  trans-162.2157.4156.5-77.9-151.2179.6177.90113.6
464P50.7Low44.4Very low115 Ų115147.9 Ų147.975%0.74779%0.787SS**  cis-119.2-178.8-2636.6-21.1000112.2
465F47.1Very low44.1Very low168 Ų168147.6 Ų147.674%0.73778%0.782SS**  trans-10218.4-154.5-159.6-104.5000116.1
466E48.7Very low44Very low168 Ų168151.4 Ų151.479%0.78578%0.784SS**SBendtrans-92.5-35.4-164.3-63.8-166.7113.600115.9A468E466-A468 PolarHBondContact O-N 2.87Å
467D42.7Very low43.7Very low164 Ų164150.8 Ų150.888%0.87778%0.783SS**G310 helixtrans-69.3-17.2-178.7-78.1-43.6000113.8L469D467-L469 PolarHBondContact O-N 2.88Å; D467-L469 VanDerWaalsContact O-N 3.13Å
468A45.7Very low44Very low79 Ų79143 Ų14365%0.65376%0.763SS**G310 helixtrans-69.2-7.1-177.900000114.8E466E466-A468 PolarHBondContact O-N 2.87Å
469L43Very low45.1Very low131 Ų131139.3 Ų139.369%0.68675%0.747SS**G310 helixtrans-106.5-3.6-171.5-63.9179.6000115.2D467 V471D467-L469 PolarHBondContact O-N 2.88Å; D467-L469 VanDerWaalsContact O-N 3.13Å; L469-V471 VanDerWaalsContact C-N 3.33Å; L469-V471 PolarHBondContact O-N 2.87Å
470R44.7Very low46.3Very low238 Ų238133.4 Ų133.490%0.89872%0.716SS**  trans-87.970.2-178.2-150.9171.5-163.1126.44112.9
471V44.1Very low47.6Very low121 Ų121125.5 Ų125.573%0.73369%0.685SS**PPolyproline II helixtrans-54.2125.6178.8173.50000111.9L469L469-V471 VanDerWaalsContact C-N 3.33Å; L469-V471 PolarHBondContact O-N 2.87Å
472P38.8Very low49Very low95 Ų95123.4 Ų123.462%0.61767%0.67SS**PPolyproline II helixtrans-68148.1165.930.5-34000109.6
473P36.9Very low49.8Very low113 Ų113120.7 Ų120.773%0.73466%0.655SS**PPolyproline II helixtrans-57.7146.9-176.724.9-34.3000111.4
474P37.7Very low51.2Low104 Ų104111.3 Ų111.368%0.67561%0.614SS**PPolyproline II helixtrans-59156.6175.928.2-35.9000110Q476P474-Q476 PolarHBondContact O-N 2.89Å
475P38.5Very low52.4Low131 Ų131113.9 Ų113.985%0.85161%0.609SS**  trans-57.9108171.425.8-33.5000108.5S477P475-S477 PolarHBondContact O-N 2.85Å
476Q34.6Very low53.7Low172 Ų172109.4 Ų109.480%0.80461%0.611SS**  trans-55.8139.4157.9-67.9178.7-2000106.3P474 V478P474-Q476 PolarHBondContact O-N 2.89Å; Q476-V478 VanDerWaalsContact C-N 3.28Å; Q476-V478 PolarHBondContact O-N 2.87Å
477S42.3Very low55.4Low116 Ų116103.9 Ų103.981%0.81159%0.585SS**  trans-60.798.2168.251.30000107.3P475 S479P475-S477 PolarHBondContact O-N 2.85Å; S477-S479 PolarHBondContact O-N 2.87Å; S477-S479 VanDerWaalsContact O-N 3.15Å
478V48.6Very low57.4Low83 Ų8398.9 Ų98.950%0.50356%0.561SS.*  trans-48.9124.9168.5-76.40000106.5Q476 Q483Q476-V478 VanDerWaalsContact C-N 3.28Å; Q476-V478 PolarHBondContact O-N 2.87Å; V478-Q483 HydrophobicContact CB-CG 4.33Å; V478-Q483 HydrophobicContact CG2-CG 3.66Å
479S63.3Low59.4Low53 Ų5395.7 Ų95.737%0.37153%0.532SS..  trans-60.9148.2-177.664.40000108.5S477 A481 E482 Q483S477-S479 PolarHBondContact O-N 2.87Å; S477-S479 VanDerWaalsContact O-N 3.15Å; S479-A481 PolarHBondContact O-N 3.3Å; S479-E482 VanDerWaalsContact CB-OE2 3.3Å; S479-E482 WeakPolarHBondContact CB-OE2 3.49Å; S479-E482 PolarHBondContact N-OE2 2.72Å; S479-E482 WeakPolarHBondContact O-CA 3.47Å; S479-E482 WeakPolarHBondContact O-CB 3.2Å; S479-E482 PolarHBondContact O-N 3.22Å; S479-E482 WeakPolarHBondContact OG-CG 3.4Å; S479-E482 PolarHBondContact OG-N 2.8Å; S479-E482 PolarHBondContact OG-OE2 2.82Å; S479-Q483 PolarHBondContact O-N 2.94Å
480M70.1Confident61.6Low46 Ų4689.6 Ų89.623%0.22750%0.5CS..Hα-helixtrans-55.7-28.2178.1-165.768.9-178.600111.3Q483 L484 Y521 V543 V553M480-Q483 PolarHBondContact O-N 2.8Å; M480-Q483 PolarHBondContact SD-OE1 2.9Å; M480-L484 HydrophobicContact CE-CD1 4.29Å; M480-L484 HydrophobicContact CE-CD2 4.44Å; M480-L484 HydrophobicContact CE-CG 4.41Å; M480-L484 HydrophobicContact CG-CD1 3.9Å; M480-L484 HydrophobicContact CG-CG 4.4Å; M480-L484 WeakPolarHBondContact O-CB 3.39Å; M480-L484 WeakPolarHBondContact O-CG 3.43Å; M480-L484 PolarHBondContact O-N 3.02Å; M480-Y521 HydrophobicContact CB-CE2 3.74Å; M480-Y521 HydrophobicContact CG-CD2 4.28Å; M480-Y521 HydrophobicContact CG-CE2 3.78Å; M480-V543 HydrophobicContact CE-CG2 4.32Å; M480-V553 HydrophobicContact CE-CB 3.96Å; M480-V553 HydrophobicContact CE-CG2 3.81Å
481A69.7Low63.6Low20 Ų2079.8 Ų79.817%0.16546%0.464CS..Hα-helixtrans-67.9-28.3173.500000114.2S479 R485 Y521S479-A481 PolarHBondContact O-N 3.3Å; A481-R485 WeakPolarHBondContact O-CB 3.1Å; A481-R485 WeakPolarHBondContact O-CG 3.35Å; A481-R485 PolarHBondContact O-N 2.87Å; A481-R485 VanDerWaalsContact O-N 3.1Å; A481-Y521 WeakPolarHBondContact CB-OH 3.37Å; A481-Y521 PolarHBondContact N-OH 3.47Å
482E72.6Confident65.7Low110 Ų11074.7 Ų74.751%0.51444%0.436SS..Hα-helixtrans-79.1-38.1174.6-73.9161.5122.300111.6S479 R485S479-E482 VanDerWaalsContact CB-OE2 3.3Å; S479-E482 WeakPolarHBondContact CB-OE2 3.49Å; S479-E482 PolarHBondContact N-OE2 2.72Å; S479-E482 WeakPolarHBondContact O-CA 3.47Å; S479-E482 WeakPolarHBondContact O-CB 3.2Å; S479-E482 PolarHBondContact O-N 3.22Å; S479-E482 WeakPolarHBondContact OG-CG 3.4Å; S479-E482 PolarHBondContact OG-N 2.8Å; S479-E482 PolarHBondContact OG-OE2 2.82Å; E482-R485 PolarHBondContact O-N 3.13Å
483Q75.3Confident67.9Low110 Ų11077.3 Ų77.351%0.51444%0.438SS..Hα-helixtrans-63.9-46.2172.9-64.1-176.2-55.300111.1V478 S479 M480 R485V478-Q483 HydrophobicContact CB-CG 4.33Å; V478-Q483 HydrophobicContact CG2-CG 3.66Å; S479-Q483 PolarHBondContact O-N 2.94Å; M480-Q483 PolarHBondContact O-N 2.8Å; M480-Q483 PolarHBondContact SD-OE1 2.9Å; Q483-R485 VanDerWaalsContact C-N 3.3Å; Q483-R485 PolarHBondContact O-N 3.27Å
484L80Confident70.4Confident0 Ų073.1 Ų73.10%041%0.409CS..Hα-helixtrans-75.5-15179.1-62171.5000113.5M480 G486 E487 W489 F490 Y521 V553M480-L484 HydrophobicContact CE-CD1 4.29Å; M480-L484 HydrophobicContact CE-CD2 4.44Å; M480-L484 HydrophobicContact CE-CG 4.41Å; M480-L484 HydrophobicContact CG-CD1 3.9Å; M480-L484 HydrophobicContact CG-CG 4.4Å; M480-L484 WeakPolarHBondContact O-CB 3.39Å; M480-L484 WeakPolarHBondContact O-CG 3.43Å; M480-L484 PolarHBondContact O-N 3.02Å; L484-G486 PolarHBondContact O-N 3.4Å; L484-E487 HydrophobicContact CD2-CG 4.4Å; L484-E487 WeakPolarHBondContact O-CB 3.46Å; L484-E487 PolarHBondContact O-N 3.08Å; L484-W489 HydrophobicContact CD2-CH2 3.58Å; L484-W489 HydrophobicContact CD2-CZ3 3.99Å; L484-F490 VanDerWaalsContact C-CD1 3.46Å; L484-F490 HydrophobicContact CB-CB 4.3Å; L484-F490 HydrophobicContact CB-CD1 3.8Å; L484-F490 HydrophobicContact CB-CD2 3.91Å; L484-F490 HydrophobicContact CB-CE1 4.01Å; L484-F490 HydrophobicContact CB-CE2 4.15Å; L484-F490 HydrophobicContact CB-CG 3.72Å; L484-F490 HydrophobicContact CB-CZ 4.17Å; L484-F490 HydrophobicContact CD1-CD2 4.33Å; L484-F490 HydrophobicContact CD1-CE2 4.23Å; L484-F490 VanDerWaalsContact O-CB 3.23Å; L484-F490 WeakPolarHBondContact O-CB 3.28Å; L484-F490 WeakPolarHBondContact O-CD1 3.48Å; L484-F490 WeakPolarHBondContact O-CG 3.37Å; L484-Y521 HydrophobicContact CD1-CD1 3.68Å; L484-Y521 HydrophobicContact CD1-CE1 3.76Å; L484-Y521 HydrophobicContact CD1-CG 4.22Å; L484-V553 HydrophobicContact CD1-CB 4.35Å; L484-V553 HydrophobicContact CD2-CB 3.89Å; L484-V553 HydrophobicContact CD2-CG1 4.13Å
485R75.9Confident72.8Confident170 Ų17069.9 Ų69.964%0.64239%0.389SS*.THydrogen-bonded Turntrans-62.9-27.6-174.8-116171.6167.5-167.4-7114.7A481 E482 Q483 F490 R582A481-R485 WeakPolarHBondContact O-CB 3.1Å; A481-R485 WeakPolarHBondContact O-CG 3.35Å; A481-R485 PolarHBondContact O-N 2.87Å; A481-R485 VanDerWaalsContact O-N 3.1Å; E482-R485 PolarHBondContact O-N 3.13Å; Q483-R485 VanDerWaalsContact C-N 3.3Å; Q483-R485 PolarHBondContact O-N 3.27Å; R485-F490 HydrophobicContact CG-CE1 4.35Å; R485-R582 PolarHBondContact O-NH1 2.97Å; R485-R582 VanDerWaalsContact O-NH1 3.07Å; R485-R582 PolarHBondContact O-NH2 3.42Å
486G74.9Confident75.1Confident74 Ų7470.1 Ų70.176%0.76337%0.373SS*.THydrogen-bonded Turntrans-80.8-10.1175.600000114.7L484L484-G486 PolarHBondContact O-N 3.4Å
487E84.3Confident77.7Confident51 Ų5171.8 Ų71.824%0.23837%0.372CS..  trans-80134.2-178.4-62.8-74.6-176.200111.2L484 W489 F490 S554L484-E487 HydrophobicContact CD2-CG 4.4Å; L484-E487 WeakPolarHBondContact O-CB 3.46Å; L484-E487 PolarHBondContact O-N 3.08Å; E487-W489 VanDerWaalsContact C-N 3.3Å; E487-W489 HydrophobicContact CB-CD2 3.93Å; E487-W489 HydrophobicContact CB-CE3 4.27Å; E487-W489 HydrophobicContact CB-CG 4.49Å; E487-W489 HydrophobicContact CB-CH2 4.08Å; E487-W489 HydrophobicContact CB-CZ2 3.71Å; E487-W489 HydrophobicContact CB-CZ3 4.33Å; E487-W489 HydrophobicContact CG-CH2 3.75Å; E487-W489 HydrophobicContact CG-CZ2 3.4Å; E487-W489 HydrophobicContact CG-CZ3 4.44Å; E487-W489 PolarHBondContact O-N 3.36Å; E487-W489 WeakPolarHBondContact OE2-CZ2 3.32Å; E487-W489 PolarHBondContact OE2-NE1 3.15Å; E487-F490 HydrophobicContact CB-CB 3.97Å; E487-F490 PolarHBondContact O-N 3.29Å; E487-S554 WeakPolarHBondContact OE1-CB 3.28Å; E487-S554 PolarHBondContact OE1-OG 2.97Å
488P83.8Confident79.9Confident59 Ų5971.1 Ų71.138%0.38336%0.356SS..THydrogen-bonded Turntrans-66.9-33.1-177.926.4-33.4000112F490 E581 R582P488-F490 VanDerWaalsContact C-N 3.29Å; P488-F490 PolarHBondContact O-N 2.91Å; P488-E581 HydrophobicContact CB-CG 4.43Å; P488-E581 CarbonylContact O-C 3.49Å; P488-E581 WeakPolarHBondContact O-CA 3.47Å; P488-R582 PolarHBondContact O-N 2.95Å
489W88.8Confident81.9Confident13 Ų1367.2 Ų67.25%0.04933%0.332CS..THydrogen-bonded Turntrans-80.30.6178.345.8-95.6000114.2L484 E487 F509 L510 V511 V553 I557 P579L484-W489 HydrophobicContact CD2-CH2 3.58Å; L484-W489 HydrophobicContact CD2-CZ3 3.99Å; E487-W489 VanDerWaalsContact C-N 3.3Å; E487-W489 HydrophobicContact CB-CD2 3.93Å; E487-W489 HydrophobicContact CB-CE3 4.27Å; E487-W489 HydrophobicContact CB-CG 4.49Å; E487-W489 HydrophobicContact CB-CH2 4.08Å; E487-W489 HydrophobicContact CB-CZ2 3.71Å; E487-W489 HydrophobicContact CB-CZ3 4.33Å; E487-W489 HydrophobicContact CG-CH2 3.75Å; E487-W489 HydrophobicContact CG-CZ2 3.4Å; E487-W489 HydrophobicContact CG-CZ3 4.44Å; E487-W489 PolarHBondContact O-N 3.36Å; E487-W489 WeakPolarHBondContact OE2-CZ2 3.32Å; E487-W489 PolarHBondContact OE2-NE1 3.15Å; W489-F509 HydrophobicContact CB-CE2 3.87Å; W489-F509 HydrophobicContact CB-CZ 4.43Å; W489-F509 HydrophobicContact CD2-CE2 4.41Å; W489-F509 AromaticContact CG-CE2 3.98Å; W489-F509 HydrophobicContact CG-CE2 3.98Å; W489-F509 HydrophobicContact CG-CZ 4.46Å; W489-L510 WeakPolarHBondContact O-CA 3.49Å; W489-V511 HydrophobicContact CE3-CB 3.7Å; W489-V511 HydrophobicContact CE3-CG2 3.52Å; W489-V511 HydrophobicContact CZ3-CB 3.73Å; W489-V511 HydrophobicContact CZ3-CG1 4.38Å; W489-V511 HydrophobicContact CZ3-CG2 3.53Å; W489-V511 PolarHBondContact O-N 3.47Å; W489-V553 HydrophobicContact CH2-CG1 3.82Å; W489-V553 HydrophobicContact CZ3-CG1 3.85Å; W489-I557 HydrophobicContact CD2-CG1 4.45Å; W489-I557 HydrophobicContact CD2-CG2 4.48Å; W489-I557 HydrophobicContact CE3-CG1 4.34Å; W489-I557 HydrophobicContact CH2-CG1 3.93Å; W489-I557 HydrophobicContact CZ2-CB 4.22Å; W489-I557 HydrophobicContact CZ2-CG1 4.04Å; W489-I557 HydrophobicContact CZ2-CG2 4.43Å; W489-I557 HydrophobicContact CZ3-CG1 4.09Å; W489-P579 HydrophobicContact CB-CB 3.84Å; W489-P579 HydrophobicContact CG-CB 4.39Å
490F89.2Confident83.2Confident3 Ų367.1 Ų67.11%0.01333%0.326CS..EExtended strand (participates in β ladder)trans-101.4112.3-179.3179.4-109.4000112.7L484 R485 E487 P488 V511 Y521 R582L484-F490 VanDerWaalsContact C-CD1 3.46Å; L484-F490 HydrophobicContact CB-CB 4.3Å; L484-F490 HydrophobicContact CB-CD1 3.8Å; L484-F490 HydrophobicContact CB-CD2 3.91Å; L484-F490 HydrophobicContact CB-CE1 4.01Å; L484-F490 HydrophobicContact CB-CE2 4.15Å; L484-F490 HydrophobicContact CB-CG 3.72Å; L484-F490 HydrophobicContact CB-CZ 4.17Å; L484-F490 HydrophobicContact CD1-CD2 4.33Å; L484-F490 HydrophobicContact CD1-CE2 4.23Å; L484-F490 VanDerWaalsContact O-CB 3.23Å; L484-F490 WeakPolarHBondContact O-CB 3.28Å; L484-F490 WeakPolarHBondContact O-CD1 3.48Å; L484-F490 WeakPolarHBondContact O-CG 3.37Å; R485-F490 HydrophobicContact CG-CE1 4.35Å; E487-F490 HydrophobicContact CB-CB 3.97Å; E487-F490 PolarHBondContact O-N 3.29Å; P488-F490 VanDerWaalsContact C-N 3.29Å; P488-F490 PolarHBondContact O-N 2.91Å; F490-V511 WeakPolarHBondContact CA-O 3.36Å; F490-V511 HydrophobicContact CD2-CB 4.24Å; F490-V511 HydrophobicContact CD2-CG1 4.08Å; F490-V511 WeakPolarHBondContact CD2-O 3.28Å; F490-V511 HydrophobicContact CE2-CG1 4.49Å; F490-Y521 AromaticContact CE2-CD1 3.82Å; F490-Y521 HydrophobicContact CE2-CD1 3.82Å; F490-Y521 AromaticContact CE2-CE1 3.81Å; F490-Y521 HydrophobicContact CE2-CE1 3.81Å; F490-Y521 HydrophobicContact CZ-CD1 4.42Å; F490-Y521 AromaticContact CZ-CE1 3.94Å; F490-Y521 HydrophobicContact CZ-CE1 3.94Å; F490-R582 WeakPolarHBondContact O-CD 3.49Å; F490-R582 PolarHBondContact O-NH1 2.88Å
491H87.1Confident84.1Confident31 Ų3168.7 Ų68.714%0.14435%0.346CS..EExtended strand (participates in β ladder)trans-94.8-2.3-174.7-70.5-115000113.8L494 V511 V580 E581 R582H491-L494 HydrophobicContact CB-CB 4.13Å; H491-L494 HydrophobicContact CB-CD2 3.86Å; H491-V511 PolarHBondContact N-O 3.11Å; H491-V580 PolarHBondContact NE2-O 3.02Å; H491-E581 PolarHBondContact CE1-O 3.46Å; H491-R582 VanDerWaalsContact CE1-CA 3.49Å; H491-R582 WeakPolarHBondContact CE1-CA 3.13Å; H491-R582 PolarHBondContact NE2-N 3.42Å
492G87Confident85Confident14 Ų1470.8 Ų70.814%0.14435%0.354CS..EExtended strand (participates in β ladder)trans65.3-135.1-174.800000111.9L494 R512 E513G492-L494 VanDerWaalsContact C-N 3.32Å; G492-L494 PolarHBondContact O-N 3.37Å; G492-R512 CarbonylContact O-C 3.58Å; G492-R512 VanDerWaalsContact O-CA 3.32Å; G492-R512 WeakPolarHBondContact O-CA 3.41Å; G492-R512 WeakPolarHBondContact O-CB 3.27Å; G492-E513 PolarHBondContact O-N 2.86Å
493K86.1Confident85.8Confident151 Ų15166.2 Ų66.266%0.65733%0.333SS*.SBendtrans-78.775.5-174.8-66.2-176.1177.1-177.30112.2E513K493-E513 WeakPolarHBondContact CE-OE1 3.44Å; K493-E513 WeakPolarHBondContact CE-OE2 3.46Å; K493-E513 HydrophobicContact CG-CB 4.15Å; K493-E513 HydrophobicContact CG-CG 4.43Å; K493-E513 WeakPolarHBondContact CG-OE2 3.15Å; K493-E513 IonicContact NZ-OE1 3.76Å
494L88.2Confident86.3Confident25 Ų2568.6 Ų68.613%0.13135%0.345CS..  trans-103.3134.7177.3-166.368.3000110.8H491 G492 E498 A499 L502 L510 R512H491-L494 HydrophobicContact CB-CB 4.13Å; H491-L494 HydrophobicContact CB-CD2 3.86Å; G492-L494 VanDerWaalsContact C-N 3.32Å; G492-L494 PolarHBondContact O-N 3.37Å; L494-E498 HydrophobicContact CD1-CB 3.59Å; L494-E498 HydrophobicContact CD1-CG 4.44Å; L494-E498 HydrophobicContact CG-CB 3.94Å; L494-A499 HydrophobicContact CD2-CB 3.81Å; L494-A499 HydrophobicContact CG-CB 4.35Å; L494-L502 HydrophobicContact CD2-CD1 3.9Å; L494-L510 HydrophobicContact CD2-CD1 3.97Å; L494-L510 HydrophobicContact CD2-CD2 4.17Å; L494-R512 HydrophobicContact CB-CB 3.86Å; L494-R512 WeakPolarHBondContact O-CD 3.29Å; L494-R512 PolarHBondContact O-NH1 3.1Å
495S87.6Confident86.6Confident36 Ų3673.6 Ų73.625%0.25237%0.37SS..  trans-71166.3176.379.80000111.7R497 E498 A499S495-R497 PolarHBondContact O-N 3.19Å; S495-E498 WeakPolarHBondContact CA-OE2 3.23Å; S495-E498 WeakPolarHBondContact CB-OE2 3.29Å; S495-E498 PolarHBondContact N-OE2 2.91Å; S495-E498 WeakPolarHBondContact OG-CG 3.13Å; S495-E498 PolarHBondContact OG-N 2.97Å; S495-E498 PolarHBondContact OG-OE2 3.41Å; S495-A499 WeakPolarHBondContact O-CB 3.35Å; S495-A499 PolarHBondContact O-N 3.01Å; S495-A499 VanDerWaalsContact O-N 3.11Å
496R87.9Confident87.2Confident135 Ų13569.7 Ų69.751%0.50936%0.363SS..Hα-helixtrans-59.5-46177.7-177.5-177.5162.3160.46112A499 E500 H533R496-A499 PolarHBondContact O-N 3.42Å; R496-E500 HydrophobicContact CG-CG 4.41Å; R496-E500 IonicContact CZ-OE1 3.12Å; R496-E500 IonicContact NE-OE1 2.75Å; R496-E500 PolarHBondContact NE-OE1 3.12Å; R496-E500 IonicContact NE-OE2 3.75Å; R496-E500 IonicContact NH2-OE1 3.16Å; R496-E500 PolarHBondContact NH2-OE1 3.32Å; R496-E500 VanDerWaalsContact O-CG 3.28Å; R496-E500 WeakPolarHBondContact O-CG 3.44Å; R496-E500 PolarHBondContact O-N 2.84Å; R496-H533 PolarHBondContact NE-NE2 3.43Å; R496-H533 PolarHBondContact NH2-NE2 2.89Å
497R89.4Confident87.6Confident208 Ų20866.2 Ų66.279%0.78533%0.327SS*.Hα-helixtrans-69.4-38.9-174.8-61.3-178-168.7154.31.9112.6S495 A499 E500 A501S495-R497 PolarHBondContact O-N 3.19Å; R497-A499 VanDerWaalsContact C-N 3.35Å; R497-E500 PolarHBondContact O-N 3.4Å; R497-A501 WeakPolarHBondContact O-CB 3.31Å; R497-A501 PolarHBondContact O-N 3.39Å
498E89.1Confident87.9Confident102 Ų10264 Ų6448%0.47732%0.317SS..Hα-helixtrans-66.5-41.2176-65.2156.5143.300110.4L494 S495 A501 L502L494-E498 HydrophobicContact CD1-CB 3.59Å; L494-E498 HydrophobicContact CD1-CG 4.44Å; L494-E498 HydrophobicContact CG-CB 3.94Å; S495-E498 WeakPolarHBondContact CA-OE2 3.23Å; S495-E498 WeakPolarHBondContact CB-OE2 3.29Å; S495-E498 PolarHBondContact N-OE2 2.91Å; S495-E498 WeakPolarHBondContact OG-CG 3.13Å; S495-E498 PolarHBondContact OG-N 2.97Å; S495-E498 PolarHBondContact OG-OE2 3.41Å; E498-A501 PolarHBondContact O-N 3.29Å; E498-L502 WeakPolarHBondContact O-CG 3.06Å; E498-L502 PolarHBondContact O-N 2.99Å; E498-L502 VanDerWaalsContact O-N 3.17Å
499A89.6Confident88.3Confident0 Ų061.2 Ų61.20%030%0.298CS..Hα-helixtrans-62.5-42.7173.600000112.5L494 S495 R496 R497 A501 L502 L503 L510 T524L494-A499 HydrophobicContact CD2-CB 3.81Å; L494-A499 HydrophobicContact CG-CB 4.35Å; S495-A499 WeakPolarHBondContact O-CB 3.35Å; S495-A499 PolarHBondContact O-N 3.01Å; S495-A499 VanDerWaalsContact O-N 3.11Å; R496-A499 PolarHBondContact O-N 3.42Å; R497-A499 VanDerWaalsContact C-N 3.35Å; A499-A501 VanDerWaalsContact C-N 3.32Å; A499-A501 PolarHBondContact O-N 2.84Å; A499-L502 PolarHBondContact O-N 3.46Å; A499-L503 WeakPolarHBondContact O-CG 3.4Å; A499-L510 HydrophobicContact CB-CD1 3.98Å; A499-L510 HydrophobicContact CB-CD2 4.37Å; A499-T524 HydrophobicContact CB-CG2 3.67Å
500E91.1Very high88.5Confident52 Ų5260.6 Ų60.624%0.24330%0.296CS..Hα-helixtrans-61.3-38.4174.1-72.1166.7150.500112.2R496 R497 L502 L503 P531 H533R496-E500 HydrophobicContact CG-CG 4.41Å; R496-E500 IonicContact CZ-OE1 3.12Å; R496-E500 IonicContact NE-OE1 2.75Å; R496-E500 PolarHBondContact NE-OE1 3.12Å; R496-E500 IonicContact NE-OE2 3.75Å; R496-E500 IonicContact NH2-OE1 3.16Å; R496-E500 PolarHBondContact NH2-OE1 3.32Å; R496-E500 VanDerWaalsContact O-CG 3.28Å; R496-E500 WeakPolarHBondContact O-CG 3.44Å; R496-E500 PolarHBondContact O-N 2.84Å; R497-E500 PolarHBondContact O-N 3.4Å; E500-L502 VanDerWaalsContact C-N 3.33Å; E500-L502 PolarHBondContact O-N 2.7Å; E500-L503 PolarHBondContact O-N 2.73Å; E500-P531 HydrophobicContact CG-CB 3.89Å; E500-P531 HydrophobicContact CG-CG 4.07Å; E500-H533 IonicContact OE1-CE1 2.57Å; E500-H533 IonicContact OE1-NE2 3.6Å; E500-H533 PolarHBondContact OE1-NE2 3.13Å; E500-H533 VanDerWaalsContact OE1-NE2 3.16Å
501A89.4Confident88.6Confident78 Ų7860.5 Ų60.565%0.64530%0.295SS*.Hα-helixtrans-76.9-13.2-179.500000114.9R497 E498 A499R497-A501 WeakPolarHBondContact O-CB 3.31Å; R497-A501 PolarHBondContact O-N 3.39Å; E498-A501 PolarHBondContact O-N 3.29Å; A499-A501 VanDerWaalsContact C-N 3.32Å; A499-A501 PolarHBondContact O-N 2.84Å
502L88.2Confident88.7Confident64 Ų6459.9 Ų59.934%0.33529%0.292SS..Hα-helixtrans-89.7-15.2175.3-72.4176.6000113.4L494 E498 A499 E500 L510 V580L494-L502 HydrophobicContact CD2-CD1 3.9Å; E498-L502 WeakPolarHBondContact O-CG 3.06Å; E498-L502 PolarHBondContact O-N 2.99Å; E498-L502 VanDerWaalsContact O-N 3.17Å; A499-L502 PolarHBondContact O-N 3.46Å; E500-L502 VanDerWaalsContact C-N 3.33Å; E500-L502 PolarHBondContact O-N 2.7Å; L502-L510 HydrophobicContact CB-CD2 4.06Å; L502-L510 HydrophobicContact CD1-CD2 4.1Å; L502-V580 HydrophobicContact CB-CG1 4.14Å
503L89.4Confident88.7Confident15 Ų1560.2 Ų60.28%0.07929%0.29CS..  trans-86.7129.8176.3-56.6168.7000109.7A499 E500 D508 T524 L526 V580A499-L503 WeakPolarHBondContact O-CG 3.4Å; E500-L503 PolarHBondContact O-N 2.73Å; L503-D508 HydrophobicContact CB-CB 4.36Å; L503-D508 HydrophobicContact CD2-CB 3.67Å; L503-T524 HydrophobicContact CD1-CG2 3.85Å; L503-L526 HydrophobicContact CB-CB 3.9Å; L503-L526 HydrophobicContact CB-CD2 4.05Å; L503-L526 HydrophobicContact CD1-CB 4.08Å; L503-L526 HydrophobicContact CG-CB 4.43Å; L503-V580 HydrophobicContact CD2-CG2 4.08Å
504Q86.3Confident88.5Confident160 Ų16053.6 Ų53.675%0.74826%0.263SS*.  trans-126-34.5-176.1-59.2-174.19.400112.8D508Q504-D508 PolarHBondContact N-OD2 3.21Å
505L86.3Confident87.9Confident104 Ų10456.8 Ų56.855%0.54528%0.283SS..SBendtrans-115.5153-176.4-58179.3000111.5G507 D508L505-G507 PolarHBondContact O-N 2.66Å; L505-D508 PolarHBondContact N-OD2 3.11Å; L505-D508 VanDerWaalsContact O-CB 3.29Å; L505-D508 WeakPolarHBondContact O-CB 3.49Å; L505-D508 PolarHBondContact O-N 2.83Å; L505-D508 VanDerWaalsContact O-N 3.13Å
506N86.9Confident87.3Confident89 Ų8960.7 Ų60.748%0.47631%0.306SS..THydrogen-bonded Turntrans-67.9127.9172.5-63.8-69000109.3L526 S528 G529N506-L526 CarbonylContact C-O 3.52Å; N506-L526 WeakPolarHBondContact CA-O 3.42Å; N506-S528 WeakPolarHBondContact OD1-CA 3.42Å; N506-S528 PolarHBondContact OD1-N 3.48Å; N506-G529 PolarHBondContact OD1-N 3.38Å
507G83.6Confident86.6Confident1 Ų156.7 Ų56.71%0.0130%0.296CS..THydrogen-bonded Turntrans95.4-7.2-171.900000114.6L505 L526 Q577 Q578L505-G507 PolarHBondContact O-N 2.66Å; G507-L526 PolarHBondContact N-O 2.83Å; G507-Q577 PolarHBondContact O-N 3.2Å; G507-Q578 PolarHBondContact O-N 2.87Å
508D91.4Very high85.8Confident5 Ų552 Ų523%0.02729%0.293CS..EExtended strand (participates in β ladder)trans-62.3140.8166.5-79.8-16.2000110.3L503 Q504 L505 G525 L526 Q578 V580L503-D508 HydrophobicContact CB-CB 4.36Å; L503-D508 HydrophobicContact CD2-CB 3.67Å; Q504-D508 PolarHBondContact N-OD2 3.21Å; L505-D508 PolarHBondContact N-OD2 3.11Å; L505-D508 VanDerWaalsContact O-CB 3.29Å; L505-D508 WeakPolarHBondContact O-CB 3.49Å; L505-D508 PolarHBondContact O-N 2.83Å; L505-D508 VanDerWaalsContact O-N 3.13Å; D508-G525 CarbonylContact O-C 3.52Å; D508-G525 WeakPolarHBondContact O-CA 3.5Å; D508-L526 PolarHBondContact O-N 2.83Å; D508-Q578 CarbonylContact C-O 3.52Å; D508-Q578 WeakPolarHBondContact CA-O 3.43Å; D508-Q578 PolarHBondContact OD1-NE2 3.43Å; D508-V580 HydrophobicContact CB-CG2 3.8Å
509F92.3Very high85Confident0 Ų049 Ų490%029%0.289CS..EExtended strand (participates in β ladder)trans-151.1158.7172.475.9-85.5000114W489 L523 T524 I557 M561 L576 Q578 P579 V580W489-F509 HydrophobicContact CB-CE2 3.87Å; W489-F509 HydrophobicContact CB-CZ 4.43Å; W489-F509 HydrophobicContact CD2-CE2 4.41Å; W489-F509 AromaticContact CG-CE2 3.98Å; W489-F509 HydrophobicContact CG-CE2 3.98Å; W489-F509 HydrophobicContact CG-CZ 4.46Å; F509-L523 HydrophobicContact CB-CD1 3.93Å; F509-L523 HydrophobicContact CD2-CD1 3.68Å; F509-L523 HydrophobicContact CG-CD1 4.17Å; F509-T524 CarbonylContact C-O 3.57Å; F509-T524 WeakPolarHBondContact CA-O 3.43Å; F509-I557 HydrophobicContact CD2-CD1 4.22Å; F509-I557 HydrophobicContact CE2-CD1 3.96Å; F509-I557 HydrophobicContact CE2-CG1 4.41Å; F509-I557 HydrophobicContact CE2-CG2 3.52Å; F509-I557 HydrophobicContact CZ-CG2 3.5Å; F509-I557 VanDerWaalsContact CZ-CG2 3.5Å; F509-M561 HydrophobicContact CE1-CE 4.22Å; F509-M561 HydrophobicContact CE1-CG 4.11Å; F509-M561 HydrophobicContact CE1-SD 3.67Å; F509-M561 HydrophobicContact CZ-CE 4.4Å; F509-M561 HydrophobicContact CZ-CG 4.28Å; F509-M561 HydrophobicContact CZ-SD 3.45Å; F509-M561 WeakPolarHBondContact CZ-SD 3.41Å; F509-L576 HydrophobicContact CB-CD2 3.78Å; F509-L576 HydrophobicContact CD1-CB 3.86Å; F509-L576 HydrophobicContact CD1-CD2 3.97Å; F509-L576 HydrophobicContact CD1-CG 4.34Å; F509-L576 HydrophobicContact CD2-CD1 4.46Å; F509-L576 HydrophobicContact CD2-CD2 4.35Å; F509-L576 HydrophobicContact CE1-CB 3.97Å; F509-L576 HydrophobicContact CG-CB 4.46Å; F509-L576 HydrophobicContact CG-CD2 3.75Å; F509-L576 HydrophobicContact CG-CG 4.46Å; F509-Q578 WeakPolarHBondContact CD1-O 3.23Å; F509-Q578 PolarHBondContact N-O 2.74Å; F509-P579 HydrophobicContact CE1-CB 4.09Å; F509-P579 HydrophobicContact CE2-CB 4.46Å; F509-P579 HydrophobicContact CZ-CB 3.79Å; F509-V580 PolarHBondContact O-N 3.31Å
510L91.8Very high84.6Confident0 Ų051.6 Ų51.60%030%0.302CS..EExtended strand (participates in β ladder)trans-147.1160.716864.387.9000111.4W489 L494 A499 L502 R512 T524 V580W489-L510 WeakPolarHBondContact O-CA 3.49Å; L494-L510 HydrophobicContact CD2-CD1 3.97Å; L494-L510 HydrophobicContact CD2-CD2 4.17Å; A499-L510 HydrophobicContact CB-CD1 3.98Å; A499-L510 HydrophobicContact CB-CD2 4.37Å; L502-L510 HydrophobicContact CB-CD2 4.06Å; L502-L510 HydrophobicContact CD1-CD2 4.1Å; L510-R512 HydrophobicContact CD1-CB 4.19Å; L510-R512 HydrophobicContact CD1-CG 4.46Å; L510-T524 PolarHBondContact N-O 2.97Å; L510-T524 PolarHBondContact O-N 3.02Å; L510-V580 HydrophobicContact CB-CB 4.38Å; L510-V580 HydrophobicContact CD2-CB 4.45Å; L510-V580 HydrophobicContact CD2-CG1 4.42Å
511V91Very high84.4Confident0 Ų049.7 Ų49.70%029%0.292CS..EExtended strand (participates in β ladder)trans-112.3136.2171.2-179.10000110.5W489 F490 H491 L523 L536 V553 I557W489-V511 HydrophobicContact CE3-CB 3.7Å; W489-V511 HydrophobicContact CE3-CG2 3.52Å; W489-V511 HydrophobicContact CZ3-CB 3.73Å; W489-V511 HydrophobicContact CZ3-CG1 4.38Å; W489-V511 HydrophobicContact CZ3-CG2 3.53Å; W489-V511 PolarHBondContact O-N 3.47Å; F490-V511 WeakPolarHBondContact CA-O 3.36Å; F490-V511 HydrophobicContact CD2-CB 4.24Å; F490-V511 HydrophobicContact CD2-CG1 4.08Å; F490-V511 WeakPolarHBondContact CD2-O 3.28Å; F490-V511 HydrophobicContact CE2-CG1 4.49Å; H491-V511 PolarHBondContact N-O 3.11Å; V511-L523 HydrophobicContact CG2-CB 4.38Å; V511-L523 HydrophobicContact CG2-CD1 4.01Å; V511-L536 HydrophobicContact CB-CD1 4.45Å; V511-L536 HydrophobicContact CG1-CD1 3.66Å; V511-L536 HydrophobicContact CG2-CD1 3.86Å; V511-V553 HydrophobicContact CG1-CG1 4.41Å; V511-V553 HydrophobicContact CG2-CG1 4.23Å; V511-I557 HydrophobicContact CG2-CD1 4.04Å; V511-I557 HydrophobicContact CG2-CG1 4.45Å
512R89.8Confident84.3Confident18 Ų1846.6 Ų46.67%0.06827%0.266CS..EExtended strand (participates in β ladder)trans-133.3149.9178.466-163-174.573.710.4111.8G492 L494 L510 V522 T524G492-R512 CarbonylContact O-C 3.58Å; G492-R512 VanDerWaalsContact O-CA 3.32Å; G492-R512 WeakPolarHBondContact O-CA 3.41Å; G492-R512 WeakPolarHBondContact O-CB 3.27Å; L494-R512 HydrophobicContact CB-CB 3.86Å; L494-R512 WeakPolarHBondContact O-CD 3.29Å; L494-R512 PolarHBondContact O-NH1 3.1Å; L510-R512 HydrophobicContact CD1-CB 4.19Å; L510-R512 HydrophobicContact CD1-CG 4.46Å; R512-V522 HydrophobicContact CG-CB 4.32Å; R512-V522 PolarHBondContact N-O 2.82Å; R512-V522 PolarHBondContact O-N 3.09Å; R512-T524 PolarHBondContact NE-OG1 3.4Å; R512-T524 VanDerWaalsContact NE-OG1 3.15Å
513E87.5Confident84.5Confident21 Ų2143.6 Ų43.610%0.09825%0.25CC..EExtended strand (participates in β ladder)trans-71.7140.6167.4-168.1-172.5161.400109.3G492 K493 T515 Y521G492-E513 PolarHBondContact O-N 2.86Å; K493-E513 WeakPolarHBondContact CE-OE1 3.44Å; K493-E513 WeakPolarHBondContact CE-OE2 3.46Å; K493-E513 HydrophobicContact CG-CB 4.15Å; K493-E513 HydrophobicContact CG-CG 4.43Å; K493-E513 WeakPolarHBondContact CG-OE2 3.15Å; K493-E513 IonicContact NZ-OE1 3.76Å; E513-T515 PolarHBondContact O-N 3.36Å; E513-Y521 HydrophobicContact CB-CE1 4.45Å
514S80.8Confident84.5Confident13 Ų1342.9 Ų42.99%0.09125%0.246CC..  trans-70122177.2179.30000111.4T516 T517 Q520S514-T516 PolarHBondContact O-N 2.82Å; S514-T516 PolarHBondContact OG-OG1 3.04Å; S514-T516 VanDerWaalsContact OG-OG1 3.13Å; S514-T517 WeakPolarHBondContact CB-O 3.18Å; S514-T517 WeakPolarHBondContact CB-OG1 3.37Å; S514-T517 CarbonylContact O-C 3.55Å; S514-T517 PolarHBondContact O-N 2.86Å; S514-T517 PolarHBondContact OG-N 2.79Å; S514-T517 PolarHBondContact OG-OG1 3.11Å; S514-Q520 PolarHBondContact N-O 3.41Å
515T77.5Confident84.8Confident91 Ų9135.2 Ų35.256%0.55821%0.21SC*.SBendtrans-69.1-1917853.90000113.6E513E513-T515 PolarHBondContact O-N 3.36Å
516T74.2Confident85Confident119 Ų11931.2 Ų31.273%0.7319%0.189SC*.SBendtrans-94.7-19.7177.952.20000113.7S514S514-T516 PolarHBondContact O-N 2.82Å; S514-T516 PolarHBondContact OG-OG1 3.04Å; S514-T516 VanDerWaalsContact OG-OG1 3.13Å
517T72.7Confident84.9Confident51 Ų5128.9 Ų28.931%0.31318%0.176SC..SBendtrans-146.688.4-168.2290000109.9S514 G519 Q520S514-T517 WeakPolarHBondContact CB-O 3.18Å; S514-T517 WeakPolarHBondContact CB-OG1 3.37Å; S514-T517 CarbonylContact O-C 3.55Å; S514-T517 PolarHBondContact O-N 2.86Å; S514-T517 PolarHBondContact OG-N 2.79Å; S514-T517 PolarHBondContact OG-OG1 3.11Å; T517-G519 PolarHBondContact O-N 2.94Å; T517-Q520 WeakPolarHBondContact O-CB 3.26Å; T517-Q520 PolarHBondContact O-N 2.97Å; T517-Q520 VanDerWaalsContact O-N 3.15Å; T517-Q520 PolarHBondContact OG1-OE1 2.89Å
518P72.2Confident84.9Confident108 Ų10833.5 Ų33.570%0.70121%0.208SC*.THydrogen-bonded Turntrans-59.8139.8-177.425.7-34.4000111.1
519G72.9Confident84.5Confident40 Ų4035.7 Ų35.741%0.41223%0.231SC..THydrogen-bonded Turntrans86.8-9.1-174.200000115.6T517 Y521T517-G519 PolarHBondContact O-N 2.94Å; G519-Y521 WeakPolarHBondContact O-CD2 3.32Å; G519-Y521 VanDerWaalsContact O-CE2 3.23Å; G519-Y521 WeakPolarHBondContact O-CE2 3.23Å
520Q81.4Confident84.2Confident55 Ų5541.9 Ų41.926%0.25726%0.26SS..  trans-88.6136.8167.3-74.7-175-2300111.3S514 T517 L535S514-Q520 PolarHBondContact N-O 3.41Å; T517-Q520 WeakPolarHBondContact O-CB 3.26Å; T517-Q520 PolarHBondContact O-N 2.97Å; T517-Q520 VanDerWaalsContact O-N 3.15Å; T517-Q520 PolarHBondContact OG1-OE1 2.89Å; Q520-L535 HydrophobicContact CB-CD1 3.88Å; Q520-L535 HydrophobicContact CG-CD1 4.11Å
521Y86.6Confident84Confident11 Ų1143.9 Ų43.94%0.04327%0.273CS..EExtended strand (participates in β ladder)trans-113.8135.9179-62.3-88.4000110.4M480 A481 L484 F490 E513 G519 L536 V537M480-Y521 HydrophobicContact CB-CE2 3.74Å; M480-Y521 HydrophobicContact CG-CD2 4.28Å; M480-Y521 HydrophobicContact CG-CE2 3.78Å; A481-Y521 WeakPolarHBondContact CB-OH 3.37Å; A481-Y521 PolarHBondContact N-OH 3.47Å; L484-Y521 HydrophobicContact CD1-CD1 3.68Å; L484-Y521 HydrophobicContact CD1-CE1 3.76Å; L484-Y521 HydrophobicContact CD1-CG 4.22Å; F490-Y521 AromaticContact CE2-CD1 3.82Å; F490-Y521 HydrophobicContact CE2-CD1 3.82Å; F490-Y521 AromaticContact CE2-CE1 3.81Å; F490-Y521 HydrophobicContact CE2-CE1 3.81Å; F490-Y521 HydrophobicContact CZ-CD1 4.42Å; F490-Y521 AromaticContact CZ-CE1 3.94Å; F490-Y521 HydrophobicContact CZ-CE1 3.94Å; E513-Y521 HydrophobicContact CB-CE1 4.45Å; G519-Y521 WeakPolarHBondContact O-CD2 3.32Å; G519-Y521 VanDerWaalsContact O-CE2 3.23Å; G519-Y521 WeakPolarHBondContact O-CE2 3.23Å; Y521-L536 WeakPolarHBondContact O-CB 3.44Å; Y521-L536 PolarHBondContact O-N 3.06Å; Y521-V537 HydrophobicContact CD2-CG2 3.88Å
522V88.7Confident83.8Confident14 Ų1445.7 Ų45.79%0.08528%0.281CS..EExtended strand (participates in β ladder)trans-124.3116.5-176-1770000109.1R512 H533 L534 L535R512-V522 HydrophobicContact CG-CB 4.32Å; R512-V522 PolarHBondContact N-O 2.82Å; R512-V522 PolarHBondContact O-N 3.09Å; V522-H533 HydrophobicContact CG1-CB 3.9Å; V522-L534 CarbonylContact C-O 3.52Å; V522-L534 WeakPolarHBondContact CA-O 3.35Å; V522-L535 HydrophobicContact CG2-CD1 4.32Å
523L90.6Very high83.7Confident0 Ų047.3 Ų47.30%029%0.289CS..EExtended strand (participates in β ladder)trans-73.5127.6165.4172.757.9000108.3F509 V511 H533 L534 L536 L556 I557 I567 L574 L576F509-L523 HydrophobicContact CB-CD1 3.93Å; F509-L523 HydrophobicContact CD2-CD1 3.68Å; F509-L523 HydrophobicContact CG-CD1 4.17Å; V511-L523 HydrophobicContact CG2-CB 4.38Å; V511-L523 HydrophobicContact CG2-CD1 4.01Å; L523-H533 CarbonylContact O-C 3.57Å; L523-H533 WeakPolarHBondContact O-CA 3.46Å; L523-L534 HydrophobicContact CB-CB 4.34Å; L523-L534 HydrophobicContact CD2-CD1 4.41Å; L523-L534 PolarHBondContact N-O 3.45Å; L523-L534 PolarHBondContact O-N 2.85Å; L523-L536 HydrophobicContact CB-CD1 3.81Å; L523-L536 HydrophobicContact CB-CD2 3.79Å; L523-L536 HydrophobicContact CB-CG 3.75Å; L523-L536 HydrophobicContact CD2-CD2 4.08Å; L523-L556 HydrophobicContact CD2-CD2 4.41Å; L523-I557 HydrophobicContact CD1-CD1 3.9Å; L523-I557 HydrophobicContact CD2-CD1 4.13Å; L523-I567 HydrophobicContact CD2-CD1 3.47Å; L523-I567 VanDerWaalsContact CD2-CD1 3.47Å; L523-L574 HydrophobicContact CD2-CD2 4.31Å; L523-L574 HydrophobicContact CG-CD2 4.21Å; L523-L576 HydrophobicContact CD1-CD2 4.22Å; L523-L576 HydrophobicContact CD2-CD1 4.24Å; L523-L576 HydrophobicContact CD2-CD2 4.13Å
524T90.5Very high83.6Confident0 Ų047.3 Ų47.30%029%0.29CS..EExtended strand (participates in β ladder)trans-125.5117.4-179.9-64.70000107.6A499 L503 F509 L510 R512 K532 H533A499-T524 HydrophobicContact CB-CG2 3.67Å; L503-T524 HydrophobicContact CD1-CG2 3.85Å; F509-T524 CarbonylContact C-O 3.57Å; F509-T524 WeakPolarHBondContact CA-O 3.43Å; L510-T524 PolarHBondContact N-O 2.97Å; L510-T524 PolarHBondContact O-N 3.02Å; R512-T524 PolarHBondContact NE-OG1 3.4Å; R512-T524 VanDerWaalsContact NE-OG1 3.15Å; T524-K532 WeakPolarHBondContact CA-O 3.08Å; T524-H533 WeakPolarHBondContact CG2-CE1 3.33Å; T524-H533 VanDerWaalsContact CG2-ND1 3.28Å; T524-H533 WeakPolarHBondContact CG2-ND1 3.22Å; T524-H533 PolarHBondContact OG1-ND1 3.42Å
525G91.9Very high83.8Confident0 Ų050.7 Ų50.70%031%0.306CS..EExtended strand (participates in β ladder)trans-151160.4-176.500000113.1D508 K532D508-G525 CarbonylContact O-C 3.52Å; D508-G525 WeakPolarHBondContact O-CA 3.5Å; G525-K532 PolarHBondContact N-O 3.44Å; G525-K532 PolarHBondContact O-N 2.76Å
526L89.9Confident83.9Confident20 Ų2046.6 Ų46.611%0.10528%0.281CS..EExtended strand (participates in β ladder)trans-106.7121.4-168.8-179.456.1000111L503 N506 G507 D508 G529L503-L526 HydrophobicContact CB-CB 3.9Å; L503-L526 HydrophobicContact CB-CD2 4.05Å; L503-L526 HydrophobicContact CD1-CB 4.08Å; L503-L526 HydrophobicContact CG-CB 4.43Å; N506-L526 CarbonylContact C-O 3.52Å; N506-L526 WeakPolarHBondContact CA-O 3.42Å; G507-L526 PolarHBondContact N-O 2.83Å; D508-L526 PolarHBondContact O-N 2.83Å; L526-G529 VanDerWaalsContact CD1-C 3.48Å
527Q86.4Confident83.9Confident40 Ų4041.6 Ų41.619%0.18725%0.25CS..EExtended strand (participates in β ladder)trans-134.6127.3176.9-172.780.540.500110.4G529 Q530 K532 E573 L574Q527-G529 PolarHBondContact O-N 2.9Å; Q527-Q530 PolarHBondContact N-O 2.91Å; Q527-Q530 VanDerWaalsContact N-O 3.07Å; Q527-Q530 PolarHBondContact O-N 3.31Å; Q527-K532 HydrophobicContact CB-CD 3.96Å; Q527-E573 WeakPolarHBondContact CG-O 3.31Å; Q527-L574 HydrophobicContact CB-CD1 4.1Å
528S82.9Confident83.4Confident98 Ų9841.6 Ų41.669%0.68525%0.249SC*.THydrogen-bonded Turntrans53.439.2-178.6-51.90000113.3N506 Q530N506-S528 WeakPolarHBondContact OD1-CA 3.42Å; N506-S528 PolarHBondContact OD1-N 3.48Å; S528-Q530 PolarHBondContact O-N 3.29Å
529G82.8Confident82.6Confident51 Ų5141.7 Ų41.753%0.52625%0.249SC..THydrogen-bonded Turntrans72.53.7-177.400000115.4N506 L526 Q527N506-G529 PolarHBondContact OD1-N 3.38Å; L526-G529 VanDerWaalsContact CD1-C 3.48Å; Q527-G529 PolarHBondContact O-N 2.9Å
530Q85.5Confident81.7Confident130 Ų13046.8 Ų46.861%0.60726%0.262SS*.EExtended strand (participates in β ladder)trans-108.6123.5177.9-69.9-71.5-21.100110.6Q527 S528Q527-Q530 PolarHBondContact N-O 2.91Å; Q527-Q530 VanDerWaalsContact N-O 3.07Å; Q527-Q530 PolarHBondContact O-N 3.31Å; S528-Q530 PolarHBondContact O-N 3.29Å
531P87.3Confident80.7Confident42 Ų4246.8 Ų46.827%0.27328%0.277SS..EExtended strand (participates in β ladder)trans-71.9131.9173.229.2-32.8000110.4E500E500-P531 HydrophobicContact CG-CB 3.89Å; E500-P531 HydrophobicContact CG-CG 4.07Å
532K88.1Confident79.6Confident38 Ų3848.9 Ų48.917%0.16529%0.291CS..EExtended strand (participates in β ladder)trans-118.4136.1-177-61.4-176.5-179.9-166.70109.4T524 G525 Q527 S572 E573 L574T524-K532 WeakPolarHBondContact CA-O 3.08Å; G525-K532 PolarHBondContact N-O 3.44Å; G525-K532 PolarHBondContact O-N 2.76Å; Q527-K532 HydrophobicContact CB-CD 3.96Å; K532-S572 WeakPolarHBondContact CD-OG 3.42Å; K532-S572 WeakPolarHBondContact CE-OG 3.33Å; K532-S572 PolarHBondContact NZ-OG 3.32Å; K532-E573 WeakPolarHBondContact CD-O 3.35Å; K532-E573 PolarHBondContact NZ-O 3.46Å; K532-L574 HydrophobicContact CB-CD2 4.48Å; K532-L574 HydrophobicContact CD-CB 4.39Å
533H88.1Confident78.8Confident51 Ų5148.6 Ų48.624%0.23629%0.289CS..EExtended strand (participates in β ladder)trans-120.6120.5178.7-50.9-69.1000109.6R496 E500 V522 L523 T524R496-H533 PolarHBondContact NE-NE2 3.43Å; R496-H533 PolarHBondContact NH2-NE2 2.89Å; E500-H533 IonicContact OE1-CE1 2.57Å; E500-H533 IonicContact OE1-NE2 3.6Å; E500-H533 PolarHBondContact OE1-NE2 3.13Å; E500-H533 VanDerWaalsContact OE1-NE2 3.16Å; V522-H533 HydrophobicContact CG1-CB 3.9Å; L523-H533 CarbonylContact O-C 3.57Å; L523-H533 WeakPolarHBondContact O-CA 3.46Å; T524-H533 WeakPolarHBondContact CG2-CE1 3.33Å; T524-H533 VanDerWaalsContact CG2-ND1 3.28Å; T524-H533 WeakPolarHBondContact CG2-ND1 3.22Å; T524-H533 PolarHBondContact OG1-ND1 3.42Å
534L85.4Confident77.5Confident21 Ų2153 Ų5311%0.1131%0.306CS..EExtended strand (participates in β ladder)trans-116.2120.8-179.7-55.4-176.9000108.6V522 L523 L536 I567 S569 L574V522-L534 CarbonylContact C-O 3.52Å; V522-L534 WeakPolarHBondContact CA-O 3.35Å; L523-L534 HydrophobicContact CB-CB 4.34Å; L523-L534 HydrophobicContact CD2-CD1 4.41Å; L523-L534 PolarHBondContact N-O 3.45Å; L523-L534 PolarHBondContact O-N 2.85Å; L534-L536 PolarHBondContact O-N 2.68Å; L534-I567 HydrophobicContact CD1-CB 3.96Å; L534-I567 HydrophobicContact CD1-CD1 4.48Å; L534-I567 HydrophobicContact CD1-CG2 3.5Å; L534-I567 VanDerWaalsContact CD1-CG2 3.5Å; L534-S569 VanDerWaalsContact CD2-CB 3.5Å; L534-L574 HydrophobicContact CD1-CB 4.27Å; L534-L574 HydrophobicContact CD1-CD2 3.91Å; L534-L574 HydrophobicContact CG-CD2 4.35Å
535L84.7Confident76.5Confident84 Ų8454.1 Ų54.144%0.4431%0.313SS..EExtended strand (participates in β ladder)trans-67.6120.7168.6-178.767.3000107.8Q520 V522 V537Q520-L535 HydrophobicContact CB-CD1 3.88Å; Q520-L535 HydrophobicContact CG-CD1 4.11Å; V522-L535 HydrophobicContact CG2-CD1 4.32Å; L535-V537 WeakPolarHBondContact CG-O 3.33Å
536L79.1Confident75.1Confident6 Ų660.3 Ų60.33%0.03134%0.34CS..  trans-88.9-21-176.3-70.7167.8000113.4V511 Y521 L523 L534 V543 R544 V553 L556V511-L536 HydrophobicContact CB-CD1 4.45Å; V511-L536 HydrophobicContact CG1-CD1 3.66Å; V511-L536 HydrophobicContact CG2-CD1 3.86Å; Y521-L536 WeakPolarHBondContact O-CB 3.44Å; Y521-L536 PolarHBondContact O-N 3.06Å; L523-L536 HydrophobicContact CB-CD1 3.81Å; L523-L536 HydrophobicContact CB-CD2 3.79Å; L523-L536 HydrophobicContact CB-CG 3.75Å; L523-L536 HydrophobicContact CD2-CD2 4.08Å; L534-L536 PolarHBondContact O-N 2.68Å; L536-V543 WeakPolarHBondContact O-CA 3.23Å; L536-R544 PolarHBondContact O-N 2.87Å; L536-V553 HydrophobicContact CB-CG2 4.15Å; L536-V553 HydrophobicContact CD1-CG1 3.61Å; L536-V553 HydrophobicContact CD1-CG2 4.02Å; L536-L556 HydrophobicContact CD2-CD1 3.71Å; L536-L556 HydrophobicContact CD2-CD2 3.73Å; L536-L556 HydrophobicContact CD2-CG 4.4Å
537V73.4Confident73.8Confident13 Ų1363.8 Ų63.88%0.07936%0.358CS..BIsolated β-bridgetrans-122.6114.8-172.3172.40000109.2Y521 L535 V543Y521-V537 HydrophobicContact CD2-CG2 3.88Å; L535-V537 WeakPolarHBondContact CG-O 3.33Å; V537-V543 HydrophobicContact CG2-CG2 4.17Å
538D62.4Low73Confident52 Ų5266.2 Ų66.228%0.27837%0.37SS..  trans-58.8157.6170.9-79.3-24.3000110.8E540 G541 V542 R544D538-E540 PolarHBondContact O-N 2.83Å; D538-G541 PolarHBondContact O-N 2.85Å; D538-V542 PolarHBondContact N-O 2.89Å; D538-V542 VanDerWaalsContact N-O 3.11Å; D538-R544 VanDerWaalsContact OD2-CD 3.25Å; D538-R544 WeakPolarHBondContact OD2-CD 3.3Å; D538-R544 IonicContact OD2-NH1 2.71Å
539P55.4Low72.7Confident110 Ų11069 Ų6971%0.71437%0.365SS*.THydrogen-bonded Turntrans-59-19.4176.422.7-31.2000113.9G541P539-G541 VanDerWaalsContact C-N 3.28Å; P539-G541 PolarHBondContact O-N 2.91Å
540E53.8Low72.5Confident146 Ų14667.4 Ų67.468%0.68234%0.344SS*.THydrogen-bonded Turntrans-801.5171.1-62.173.1-159.100114.3D538D538-E540 PolarHBondContact O-N 2.83Å
541G60.8Low71.9Confident56 Ų5669.8 Ų69.858%0.57736%0.355SS*.SBendtrans8311.8175.400000115.7D538 P539D538-G541 PolarHBondContact O-N 2.85Å; P539-G541 VanDerWaalsContact C-N 3.28Å; P539-G541 PolarHBondContact O-N 2.91Å
542V63.7Low71.6Confident54 Ų5469.4 Ų69.433%0.32735%0.353SS..  trans-103.2143.4-175.5-173.90000111.3D538 R544D538-V542 PolarHBondContact N-O 2.89Å; D538-V542 VanDerWaalsContact N-O 3.11Å; V542-R544 HydrophobicContact CB-CG 4.44Å; V542-R544 HydrophobicContact CG1-CG 3.91Å
543V71.5Confident71.3Confident9 Ų967.6 Ų67.66%0.05535%0.345CS..EExtended strand (participates in β ladder)trans-85.4115.4177.3-175.50000110.8M480 L536 V537 F550 V553 L556M480-V543 HydrophobicContact CE-CG2 4.32Å; L536-V543 WeakPolarHBondContact O-CA 3.23Å; V537-V543 HydrophobicContact CG2-CG2 4.17Å; V543-F550 HydrophobicContact CB-CB 4.49Å; V543-F550 HydrophobicContact CG1-CB 4.1Å; V543-F550 PolarHBondContact O-N 3.36Å; V543-V553 HydrophobicContact CG1-CG2 4.05Å; V543-V553 HydrophobicContact CG2-CG2 3.69Å; V543-L556 HydrophobicContact CG1-CB 4.1Å; V543-L556 HydrophobicContact CG1-CD1 3.57Å
544R63.5Low71.2Confident93 Ų9366.3 Ų66.335%0.35134%0.342SS..EExtended strand (participates in β ladder)trans-142.9142-175.8-59.5-167.457.2-150.6-3.3111.8L536 D538 V542 R549L536-R544 PolarHBondContact O-N 2.87Å; D538-R544 VanDerWaalsContact OD2-CD 3.25Å; D538-R544 WeakPolarHBondContact OD2-CD 3.3Å; D538-R544 IonicContact OD2-NH1 2.71Å; V542-R544 HydrophobicContact CB-CG 4.44Å; V542-R544 HydrophobicContact CG1-CG 3.91Å; R544-R549 HydrophobicContact CG-CG 4.1Å
545T69.5Low71.2Confident23 Ų2369.5 Ų69.514%0.14136%0.356CS..  trans-101.1177.3158.465.80000109D547 H548 F550 L556 I567T545-D547 PolarHBondContact O-N 3.05Å; T545-H548 PolarHBondContact N-O 3.45Å; T545-H548 PolarHBondContact OG1-N 2.87Å; T545-H548 PolarHBondContact OG1-O 2.71Å; T545-F550 HydrophobicContact CG2-CD2 4.42Å; T545-F550 HydrophobicContact CG2-CE2 3.85Å; T545-L556 HydrophobicContact CG2-CD1 3.67Å; T545-L556 HydrophobicContact CG2-CG 4.2Å; T545-I567 HydrophobicContact CG2-CG2 3.89Å
546K63Low71.4Confident130 Ų13065.5 Ų65.557%0.56534%0.335SS*.SBendtrans-52.7-41.2177.9177.5180153.3-750112.6I568K546-I568 WeakPolarHBondContact CB-O 3.41Å
547D62.4Low71.8Confident92 Ų9265.3 Ų65.349%0.49233%0.334SS..SBendtrans-114.1-16.6-168.4-52.9-68.2000113.2T545T545-D547 PolarHBondContact O-N 3.05Å
548H68.9Low72.4Confident92 Ų9267.3 Ų67.343%0.42635%0.349SS..  trans-131.6155.4-177.4-67.590.9000113.6T545 F550T545-H548 PolarHBondContact N-O 3.45Å; T545-H548 PolarHBondContact OG1-N 2.87Å; T545-H548 PolarHBondContact OG1-O 2.71Å; H548-F550 HydrophobicContact CB-CD2 4.48Å; H548-F550 HydrophobicContact CB-CE1 4.5Å; H548-F550 HydrophobicContact CB-CE2 3.53Å; H548-F550 HydrophobicContact CB-CZ 3.55Å
549R76.4Confident73.4Confident156 Ų15668 Ų6859%0.58935%0.348SS*.EExtended strand (participates in β ladder)trans-109.6144.1168.9-70.6-169.7175.9-1182.7109.3R544R544-R549 HydrophobicContact CG-CG 4.1Å
550F79.9Confident74.8Confident18 Ų1863.1 Ų63.18%0.07932%0.316CS..EExtended strand (participates in β ladder)trans-128.9148.4178-60.6-82000110.8V543 T545 H548 H555 L556 Y559 H560V543-F550 HydrophobicContact CB-CB 4.49Å; V543-F550 HydrophobicContact CG1-CB 4.1Å; V543-F550 PolarHBondContact O-N 3.36Å; T545-F550 HydrophobicContact CG2-CD2 4.42Å; T545-F550 HydrophobicContact CG2-CE2 3.85Å; H548-F550 HydrophobicContact CB-CD2 4.48Å; H548-F550 HydrophobicContact CB-CE1 4.5Å; H548-F550 HydrophobicContact CB-CE2 3.53Å; H548-F550 HydrophobicContact CB-CZ 3.55Å; F550-H555 AromaticContact CD1-CD2 3.72Å; F550-L556 HydrophobicContact CB-CB 3.93Å; F550-L556 HydrophobicContact CD1-CB 4.21Å; F550-L556 HydrophobicContact CD2-CB 3.77Å; F550-L556 HydrophobicContact CD2-CD1 3.73Å; F550-L556 HydrophobicContact CD2-CG 3.77Å; F550-L556 HydrophobicContact CE2-CB 4.36Å; F550-L556 HydrophobicContact CE2-CD1 4.2Å; F550-L556 HydrophobicContact CE2-CG 4.02Å; F550-L556 HydrophobicContact CG-CB 3.67Å; F550-L556 HydrophobicContact CG-CD1 4.44Å; F550-L556 HydrophobicContact CG-CG 4.22Å; F550-Y559 AromaticContact CE1-CD1 3.63Å; F550-Y559 HydrophobicContact CE1-CD1 3.63Å; F550-Y559 HydrophobicContact CE1-CD2 4.41Å; F550-Y559 HydrophobicContact CE1-CE1 4.37Å; F550-Y559 AromaticContact CE1-CG 3.65Å; F550-Y559 HydrophobicContact CE1-CG 3.65Å; F550-Y559 AromaticContact CZ-CD1 3.67Å; F550-Y559 HydrophobicContact CZ-CD1 3.67Å; F550-Y559 HydrophobicContact CZ-CE1 4.2Å; F550-Y559 HydrophobicContact CZ-CG 4.19Å; F550-H560 AromaticContact CE2-CE1 3.69Å; F550-H560 AromaticContact CZ-CE1 3.44Å; F550-H560 VanDerWaalsContact CZ-CE1 3.44Å; F550-H560 WeakPolarHBondContact CZ-CE1 3.23Å
551E71.8Confident76.3Confident179 Ų17958.2 Ų58.284%0.83629%0.293SS*.SBendtrans-78.5-24-177.9-60.1-175.9149.200112.5
552S80.8Confident77.4Confident35 Ų3561.4 Ų61.425%0.24530%0.297CS..SBendtrans-149.3165.5174.373.40000110.8S554 H555 L556S552-S554 VanDerWaalsContact C-N 3.34Å; S552-S554 PolarHBondContact OG-N 3.25Å; S552-H555 PolarHBondContact O-N 2.72Å; S552-H555 PolarHBondContact OG-N 2.93Å; S552-H555 VanDerWaalsContact OG-N 3.07Å; S552-L556 PolarHBondContact O-N 3.47Å
553V83.8Confident78.3Confident0 Ų063 Ų630%030%0.304CS..Hα-helixtrans-64.8-39.7172.1168.50000110.5M480 L484 W489 V511 L536 V543 H555 L556 I557M480-V553 HydrophobicContact CE-CB 3.96Å; M480-V553 HydrophobicContact CE-CG2 3.81Å; L484-V553 HydrophobicContact CD1-CB 4.35Å; L484-V553 HydrophobicContact CD2-CB 3.89Å; L484-V553 HydrophobicContact CD2-CG1 4.13Å; W489-V553 HydrophobicContact CH2-CG1 3.82Å; W489-V553 HydrophobicContact CZ3-CG1 3.85Å; V511-V553 HydrophobicContact CG1-CG1 4.41Å; V511-V553 HydrophobicContact CG2-CG1 4.23Å; L536-V553 HydrophobicContact CB-CG2 4.15Å; L536-V553 HydrophobicContact CD1-CG1 3.61Å; L536-V553 HydrophobicContact CD1-CG2 4.02Å; V543-V553 HydrophobicContact CG1-CG2 4.05Å; V543-V553 HydrophobicContact CG2-CG2 3.69Å; V553-H555 VanDerWaalsContact C-N 3.31Å; V553-H555 PolarHBondContact O-N 3.04Å; V553-L556 WeakPolarHBondContact O-CA 3.48Å; V553-L556 WeakPolarHBondContact O-CB 3.43Å; V553-L556 PolarHBondContact O-N 2.67Å; V553-L556 VanDerWaalsContact O-N 3.08Å; V553-I557 HydrophobicContact CG1-CG1 4.18Å; V553-I557 WeakPolarHBondContact O-CG1 3.46Å; V553-I557 PolarHBondContact O-N 2.64Å
554S86Confident78.7Confident23 Ų2369.5 Ų69.516%0.16133%0.333CS..Hα-helixtrans-57.4-43.5176.1-470000112.1E487 S552 L556 I557 S558E487-S554 WeakPolarHBondContact OE1-CB 3.28Å; E487-S554 PolarHBondContact OE1-OG 2.97Å; S552-S554 VanDerWaalsContact C-N 3.34Å; S552-S554 PolarHBondContact OG-N 3.25Å; S554-L556 PolarHBondContact O-N 2.86Å; S554-I557 PolarHBondContact O-N 3.49Å; S554-S558 PolarHBondContact O-N 3.09Å; S554-S558 PolarHBondContact O-OG 3.12Å
555H85.3Confident79.7Confident89 Ų8968.3 Ų68.341%0.41233%0.333SS..Hα-helixtrans-60.8-43.6175-164.9140.6000111.3F550 S552 V553 I557 Y559F550-H555 AromaticContact CD1-CD2 3.72Å; S552-H555 PolarHBondContact O-N 2.72Å; S552-H555 PolarHBondContact OG-N 2.93Å; S552-H555 VanDerWaalsContact OG-N 3.07Å; V553-H555 VanDerWaalsContact C-N 3.31Å; V553-H555 PolarHBondContact O-N 3.04Å; H555-I557 VanDerWaalsContact C-N 3.34Å; H555-I557 PolarHBondContact O-N 3.34Å; H555-Y559 VanDerWaalsContact O-CB 3.24Å; H555-Y559 WeakPolarHBondContact O-CB 3.31Å; H555-Y559 PolarHBondContact O-N 3.35Å
556L87.1Confident80.3Confident0 Ų069.2 Ų69.20%034%0.34CS..Hα-helixtrans-58.7-44.8174.8-179.8159.3000111.7L523 L536 V543 T545 F550 S552 V553 S554 H560 I567L523-L556 HydrophobicContact CD2-CD2 4.41Å; L536-L556 HydrophobicContact CD2-CD1 3.71Å; L536-L556 HydrophobicContact CD2-CD2 3.73Å; L536-L556 HydrophobicContact CD2-CG 4.4Å; V543-L556 HydrophobicContact CG1-CB 4.1Å; V543-L556 HydrophobicContact CG1-CD1 3.57Å; T545-L556 HydrophobicContact CG2-CD1 3.67Å; T545-L556 HydrophobicContact CG2-CG 4.2Å; F550-L556 HydrophobicContact CB-CB 3.93Å; F550-L556 HydrophobicContact CD1-CB 4.21Å; F550-L556 HydrophobicContact CD2-CB 3.77Å; F550-L556 HydrophobicContact CD2-CD1 3.73Å; F550-L556 HydrophobicContact CD2-CG 3.77Å; F550-L556 HydrophobicContact CE2-CB 4.36Å; F550-L556 HydrophobicContact CE2-CD1 4.2Å; F550-L556 HydrophobicContact CE2-CG 4.02Å; F550-L556 HydrophobicContact CG-CB 3.67Å; F550-L556 HydrophobicContact CG-CD1 4.44Å; F550-L556 HydrophobicContact CG-CG 4.22Å; S552-L556 PolarHBondContact O-N 3.47Å; V553-L556 WeakPolarHBondContact O-CA 3.48Å; V553-L556 WeakPolarHBondContact O-CB 3.43Å; V553-L556 PolarHBondContact O-N 2.67Å; V553-L556 VanDerWaalsContact O-N 3.08Å; S554-L556 PolarHBondContact O-N 2.86Å; L556-H560 PolarHBondContact O-N 3.01Å; L556-H560 PolarHBondContact O-ND1 2.72Å; L556-I567 HydrophobicContact CD2-CD1 4.03Å
557I87.4Confident81.3Confident1 Ų163.4 Ų63.41%0.00532%0.315CS..Hα-helixtrans-64-56.5179.5-63.7-58.2000110.4W489 F509 V511 L523 V553 S554 H555 Y559 H560 M561 L576W489-I557 HydrophobicContact CD2-CG1 4.45Å; W489-I557 HydrophobicContact CD2-CG2 4.48Å; W489-I557 HydrophobicContact CE3-CG1 4.34Å; W489-I557 HydrophobicContact CH2-CG1 3.93Å; W489-I557 HydrophobicContact CZ2-CB 4.22Å; W489-I557 HydrophobicContact CZ2-CG1 4.04Å; W489-I557 HydrophobicContact CZ2-CG2 4.43Å; W489-I557 HydrophobicContact CZ3-CG1 4.09Å; F509-I557 HydrophobicContact CD2-CD1 4.22Å; F509-I557 HydrophobicContact CE2-CD1 3.96Å; F509-I557 HydrophobicContact CE2-CG1 4.41Å; F509-I557 HydrophobicContact CE2-CG2 3.52Å; F509-I557 HydrophobicContact CZ-CG2 3.5Å; F509-I557 VanDerWaalsContact CZ-CG2 3.5Å; V511-I557 HydrophobicContact CG2-CD1 4.04Å; V511-I557 HydrophobicContact CG2-CG1 4.45Å; L523-I557 HydrophobicContact CD1-CD1 3.9Å; L523-I557 HydrophobicContact CD2-CD1 4.13Å; V553-I557 HydrophobicContact CG1-CG1 4.18Å; V553-I557 WeakPolarHBondContact O-CG1 3.46Å; V553-I557 PolarHBondContact O-N 2.64Å; S554-I557 PolarHBondContact O-N 3.49Å; H555-I557 VanDerWaalsContact C-N 3.34Å; H555-I557 PolarHBondContact O-N 3.34Å; I557-Y559 VanDerWaalsContact C-N 3.34Å; I557-Y559 PolarHBondContact O-N 3.1Å; I557-H560 PolarHBondContact O-N 3.04Å; I557-M561 HydrophobicContact CG2-CG 4.31Å; I557-M561 HydrophobicContact CG2-SD 3.7Å; I557-M561 WeakPolarHBondContact O-CG 3.4Å; I557-M561 PolarHBondContact O-N 3.29Å; I557-L576 HydrophobicContact CD1-CD1 3.61Å; I557-L576 HydrophobicContact CG2-CD1 4.36Å
558S86.1Confident82Confident56 Ų5661.9 Ų61.939%0.39231%0.306SS..Hα-helixtrans-55-47.2179.2-60.80000111.9S554 H560 M561 D562S554-S558 PolarHBondContact O-N 3.09Å; S554-S558 PolarHBondContact O-OG 3.12Å; S558-H560 VanDerWaalsContact C-N 3.34Å; S558-H560 PolarHBondContact O-N 3.43Å; S558-M561 PolarHBondContact O-N 2.88Å; S558-M561 VanDerWaalsContact O-N 3.16Å; S558-D562 WeakPolarHBondContact O-CB 3.29Å; S558-D562 PolarHBondContact O-N 2.73Å
559Y85Confident82.1Confident66 Ų6659.9 Ų59.926%0.25930%0.303SS..Hα-helixtrans-56.8-43.8-178.7178.3-95.4000113.4F550 H555 I557 N563 L565F550-Y559 AromaticContact CE1-CD1 3.63Å; F550-Y559 HydrophobicContact CE1-CD1 3.63Å; F550-Y559 HydrophobicContact CE1-CD2 4.41Å; F550-Y559 HydrophobicContact CE1-CE1 4.37Å; F550-Y559 AromaticContact CE1-CG 3.65Å; F550-Y559 HydrophobicContact CE1-CG 3.65Å; F550-Y559 AromaticContact CZ-CD1 3.67Å; F550-Y559 HydrophobicContact CZ-CD1 3.67Å; F550-Y559 HydrophobicContact CZ-CE1 4.2Å; F550-Y559 HydrophobicContact CZ-CG 4.19Å; H555-Y559 VanDerWaalsContact O-CB 3.24Å; H555-Y559 WeakPolarHBondContact O-CB 3.31Å; H555-Y559 PolarHBondContact O-N 3.35Å; I557-Y559 VanDerWaalsContact C-N 3.34Å; I557-Y559 PolarHBondContact O-N 3.1Å; Y559-N563 WeakPolarHBondContact O-CB 3.42Å; Y559-N563 PolarHBondContact O-N 3.02Å; Y559-N563 PolarHBondContact O-ND2 3.42Å; Y559-L565 HydrophobicContact CE1-CD1 3.76Å
560H84.1Confident81.4Confident7 Ų757.5 Ų57.53%0.03232%0.316CS..Hα-helixtrans-78.9-29180-64.391.3000112.6F550 L556 I557 S558 H564 L565 I567 L576F550-H560 AromaticContact CE2-CE1 3.69Å; F550-H560 AromaticContact CZ-CE1 3.44Å; F550-H560 VanDerWaalsContact CZ-CE1 3.44Å; F550-H560 WeakPolarHBondContact CZ-CE1 3.23Å; L556-H560 PolarHBondContact O-N 3.01Å; L556-H560 PolarHBondContact O-ND1 2.72Å; I557-H560 PolarHBondContact O-N 3.04Å; S558-H560 VanDerWaalsContact C-N 3.34Å; S558-H560 PolarHBondContact O-N 3.43Å; H560-H564 CarbonylContact O-C 3.54Å; H560-H564 VanDerWaalsContact O-CA 3.28Å; H560-H564 WeakPolarHBondContact O-CA 3.33Å; H560-H564 PolarHBondContact O-N 2.91Å; H560-H564 VanDerWaalsContact O-N 3.17Å; H560-L565 PolarHBondContact CD2-O 2.77Å; H560-L565 PolarHBondContact O-N 3.32Å; H560-I567 HydrophobicContact CB-CD1 4.39Å; H560-I567 HydrophobicContact CB-CG1 4.13Å; H560-I567 WeakPolarHBondContact CD2-CG1 3.18Å; H560-L576 HydrophobicContact CB-CD1 4.2Å; H560-L576 HydrophobicContact CB-CG 4.31Å
561M85.1Confident80.6Confident44 Ų4460.5 Ų60.522%0.21735%0.352CS..Hα-helixtrans-66.9-56.7170.7-72.3-177.87100111.6F509 I557 S558 N563 H564 L576 P579F509-M561 HydrophobicContact CE1-CE 4.22Å; F509-M561 HydrophobicContact CE1-CG 4.11Å; F509-M561 HydrophobicContact CE1-SD 3.67Å; F509-M561 HydrophobicContact CZ-CE 4.4Å; F509-M561 HydrophobicContact CZ-CG 4.28Å; F509-M561 HydrophobicContact CZ-SD 3.45Å; F509-M561 WeakPolarHBondContact CZ-SD 3.41Å; I557-M561 HydrophobicContact CG2-CG 4.31Å; I557-M561 HydrophobicContact CG2-SD 3.7Å; I557-M561 WeakPolarHBondContact O-CG 3.4Å; I557-M561 PolarHBondContact O-N 3.29Å; S558-M561 PolarHBondContact O-N 2.88Å; S558-M561 VanDerWaalsContact O-N 3.16Å; M561-N563 VanDerWaalsContact C-N 3.33Å; M561-N563 PolarHBondContact O-N 3.4Å; M561-H564 PolarHBondContact O-CE1 3.47Å; M561-H564 PolarHBondContact O-N 3.03Å; M561-H564 VanDerWaalsContact O-N 3.08Å; M561-H564 PolarHBondContact O-ND1 2.89Å; M561-L576 HydrophobicContact CG-CB 3.76Å; M561-P579 HydrophobicContact CE-CG 4.4Å
562D84.4Confident80.3Confident123 Ų12354.1 Ų54.166%0.65833%0.327SS*.Hα-helixtrans-65.2-34.1-171.6-61-24.3000112.6S558S558-D562 WeakPolarHBondContact O-CB 3.29Å; S558-D562 PolarHBondContact O-N 2.73Å
563N81.7Confident80.4Confident88 Ų8857.6 Ų57.647%0.47134%0.34SS..THydrogen-bonded Turntrans-95.4-0.8177.5-60.8-91.6000112.9Y559 M561 L565Y559-N563 WeakPolarHBondContact O-CB 3.42Å; Y559-N563 PolarHBondContact O-N 3.02Å; Y559-N563 PolarHBondContact O-ND2 3.42Å; M561-N563 VanDerWaalsContact C-N 3.33Å; M561-N563 PolarHBondContact O-N 3.4Å; N563-L565 HydrophobicContact CB-CD1 3.75Å; N563-L565 HydrophobicContact CB-CG 3.75Å; N563-L565 PolarHBondContact O-N 2.8Å
564H80.4Confident80.5Confident144 Ų14457.6 Ų57.667%0.66734%0.34SS*.THydrogen-bonded Turntrans50.633.2-174-56.7-29.8000114.4H560 M561H560-H564 CarbonylContact O-C 3.54Å; H560-H564 VanDerWaalsContact O-CA 3.28Å; H560-H564 WeakPolarHBondContact O-CA 3.33Å; H560-H564 PolarHBondContact O-N 2.91Å; H560-H564 VanDerWaalsContact O-N 3.17Å; M561-H564 PolarHBondContact O-CE1 3.47Å; M561-H564 PolarHBondContact O-N 3.03Å; M561-H564 VanDerWaalsContact O-N 3.08Å; M561-H564 PolarHBondContact O-ND1 2.89Å
565L83.5Confident80.5Confident68 Ų6857.8 Ų57.836%0.35634%0.341SS..  trans-87.6135.3-174.3-68.4172.8000112Y559 H560 N563Y559-L565 HydrophobicContact CE1-CD1 3.76Å; H560-L565 PolarHBondContact CD2-O 2.77Å; H560-L565 PolarHBondContact O-N 3.32Å; N563-L565 HydrophobicContact CB-CD1 3.75Å; N563-L565 HydrophobicContact CB-CG 3.75Å; N563-L565 PolarHBondContact O-N 2.8Å
566P82.8Confident80.6Confident43 Ų4353.6 Ų53.628%0.27932%0.321SS..  trans-69.5131.3173.727.3-32.6000111.3I568 E573P566-I568 PolarHBondContact O-N 2.85Å; P566-E573 HydrophobicContact CB-CB 4.02Å; P566-E573 HydrophobicContact CB-CG 4.45Å
567I83.4Confident80.5Confident7 Ų759.6 Ų59.64%0.03635%0.349CS..EExtended strand (participates in β ladder)trans-75.3111166.3-56.8166.9000107.8L523 L534 T545 L556 H560 L574 L576L523-I567 HydrophobicContact CD2-CD1 3.47Å; L523-I567 VanDerWaalsContact CD2-CD1 3.47Å; L534-I567 HydrophobicContact CD1-CB 3.96Å; L534-I567 HydrophobicContact CD1-CD1 4.48Å; L534-I567 HydrophobicContact CD1-CG2 3.5Å; L534-I567 VanDerWaalsContact CD1-CG2 3.5Å; T545-I567 HydrophobicContact CG2-CG2 3.89Å; L556-I567 HydrophobicContact CD2-CD1 4.03Å; H560-I567 HydrophobicContact CB-CD1 4.39Å; H560-I567 HydrophobicContact CB-CG1 4.13Å; H560-I567 WeakPolarHBondContact CD2-CG1 3.18Å; I567-L574 PolarHBondContact N-O 3.07Å; I567-L574 PolarHBondContact O-N 2.92Å; I567-L576 HydrophobicContact CD1-CD1 3.84Å; I567-L576 HydrophobicContact CD1-CD2 4.2Å; I567-L576 HydrophobicContact CD1-CG 3.96Å
568I78.5Confident80.5Confident61 Ų6164.2 Ų64.231%0.31337%0.371SS..EExtended strand (participates in β ladder)trans-91.5118.1-178.9-47.4-176.1000110K546 P566 E573K546-I568 WeakPolarHBondContact CB-O 3.41Å; P566-I568 PolarHBondContact O-N 2.85Å; I568-E573 HydrophobicContact CG1-CG 4.34Å
569S69.4Low80.7Confident50 Ų5063.5 Ų63.535%0.3537%0.365SS..EExtended strand (participates in β ladder)trans-139.1126.9175.4-171.70000111.7L534 G571 S572L534-S569 VanDerWaalsContact CD2-CB 3.5Å; S569-G571 PolarHBondContact O-N 2.84Å; S569-G571 VanDerWaalsContact O-N 3.08Å; S569-S572 PolarHBondContact N-O 3.5Å; S569-S572 WeakPolarHBondContact O-CA 3.42Å; S569-S572 WeakPolarHBondContact O-CB 3.43Å; S569-S572 PolarHBondContact O-N 3.07Å; S569-S572 VanDerWaalsContact O-O 3.12Å
570A62.5Low80.9Confident105 Ų10561.3 Ų61.387%0.86836%0.358SS*.THydrogen-bonded Turntrans48.635.8176.400000115.7
571G62.8Low81Confident81 Ų8167.6 Ų67.684%0.83539%0.388SS*.THydrogen-bonded Turntrans82.112.3-176.800000114.7S569S569-G571 PolarHBondContact O-N 2.84Å; S569-G571 VanDerWaalsContact O-N 3.08Å
572S67.1Low80.8Confident46 Ų4669.1 Ų69.132%0.32239%0.391SS..EExtended strand (participates in β ladder)trans-124.5122.6-178.8-160.10000110.4K532 S569K532-S572 WeakPolarHBondContact CD-OG 3.42Å; K532-S572 WeakPolarHBondContact CE-OG 3.33Å; K532-S572 PolarHBondContact NZ-OG 3.32Å; S569-S572 PolarHBondContact N-O 3.5Å; S569-S572 WeakPolarHBondContact O-CA 3.42Å; S569-S572 WeakPolarHBondContact O-CB 3.43Å; S569-S572 PolarHBondContact O-N 3.07Å; S569-S572 VanDerWaalsContact O-O 3.12Å
573E82.9Confident79.9Confident107 Ų10772.6 Ų72.650%0.540%0.4SS..EExtended strand (participates in β ladder)trans-93.9140.4-179.4-61.5176.4170.900110.9Q527 K532 P566 I568Q527-E573 WeakPolarHBondContact CG-O 3.31Å; K532-E573 WeakPolarHBondContact CD-O 3.35Å; K532-E573 PolarHBondContact NZ-O 3.46Å; P566-E573 HydrophobicContact CB-CB 4.02Å; P566-E573 HydrophobicContact CB-CG 4.45Å; I568-E573 HydrophobicContact CG1-CG 4.34Å
574L85Confident78.4Confident1 Ų178.6 Ų78.61%0.00543%0.431CS..EExtended strand (participates in β ladder)trans-133.6110.4173.1175.362.2000109.9L523 Q527 K532 L534 I567 L576L523-L574 HydrophobicContact CD2-CD2 4.31Å; L523-L574 HydrophobicContact CG-CD2 4.21Å; Q527-L574 HydrophobicContact CB-CD1 4.1Å; K532-L574 HydrophobicContact CB-CD2 4.48Å; K532-L574 HydrophobicContact CD-CB 4.39Å; L534-L574 HydrophobicContact CD1-CB 4.27Å; L534-L574 HydrophobicContact CD1-CD2 3.91Å; L534-L574 HydrophobicContact CG-CD2 4.35Å; I567-L574 PolarHBondContact N-O 3.07Å; I567-L574 PolarHBondContact O-N 2.92Å; L574-L576 HydrophobicContact CD2-CD2 4.13Å; L574-L576 HydrophobicContact CG-CD2 4.01Å
575C85.1Confident78.3Confident26 Ų2675.4 Ų75.418%0.17642%0.42CS..  trans-82.1136.2171.3-590000109.6
576L87.8Confident78Confident1 Ų175.7 Ų75.71%0.00542%0.423CS..  trans-97.6119.8171.9-53.8-169.4000108.7F509 L523 I557 H560 M561 I567 L574F509-L576 HydrophobicContact CB-CD2 3.78Å; F509-L576 HydrophobicContact CD1-CB 3.86Å; F509-L576 HydrophobicContact CD1-CD2 3.97Å; F509-L576 HydrophobicContact CD1-CG 4.34Å; F509-L576 HydrophobicContact CD2-CD1 4.46Å; F509-L576 HydrophobicContact CD2-CD2 4.35Å; F509-L576 HydrophobicContact CE1-CB 3.97Å; F509-L576 HydrophobicContact CG-CB 4.46Å; F509-L576 HydrophobicContact CG-CD2 3.75Å; F509-L576 HydrophobicContact CG-CG 4.46Å; L523-L576 HydrophobicContact CD1-CD2 4.22Å; L523-L576 HydrophobicContact CD2-CD1 4.24Å; L523-L576 HydrophobicContact CD2-CD2 4.13Å; I557-L576 HydrophobicContact CD1-CD1 3.61Å; I557-L576 HydrophobicContact CG2-CD1 4.36Å; H560-L576 HydrophobicContact CB-CD1 4.2Å; H560-L576 HydrophobicContact CB-CG 4.31Å; M561-L576 HydrophobicContact CG-CB 3.76Å; I567-L576 HydrophobicContact CD1-CD1 3.84Å; I567-L576 HydrophobicContact CD1-CD2 4.2Å; I567-L576 HydrophobicContact CD1-CG 3.96Å; L574-L576 HydrophobicContact CD2-CD2 4.13Å; L574-L576 HydrophobicContact CG-CD2 4.01Å
577Q85.6Confident77.8Confident126 Ų12677.6 Ų77.659%0.58943%0.431SS*.  trans-124.6-49.9178.9-60.3-172.2-10.200111.5G507G507-Q577 PolarHBondContact O-N 3.2Å
578Q86.9Confident77.4Confident99 Ų9981.7 Ų81.746%0.46345%0.454SS..EExtended strand (participates in β ladder)trans-123.4119.2-173.3-171.7170-86.700111.4G507 D508 F509 V580G507-Q578 PolarHBondContact O-N 2.87Å; D508-Q578 CarbonylContact C-O 3.52Å; D508-Q578 WeakPolarHBondContact CA-O 3.43Å; D508-Q578 PolarHBondContact OD1-NE2 3.43Å; F509-Q578 WeakPolarHBondContact CD1-O 3.23Å; F509-Q578 PolarHBondContact N-O 2.74Å; Q578-V580 PolarHBondContact O-N 3.07Å
579P89.9Confident77.4Confident41 Ų4183 Ų8327%0.26646%0.463SS..EExtended strand (participates in β ladder)trans-72.6124.2172.528.7-30.9000109.7W489 F509 M561 E581W489-P579 HydrophobicContact CB-CB 3.84Å; W489-P579 HydrophobicContact CG-CB 4.39Å; F509-P579 HydrophobicContact CE1-CB 4.09Å; F509-P579 HydrophobicContact CE2-CB 4.46Å; F509-P579 HydrophobicContact CZ-CB 3.79Å; M561-P579 HydrophobicContact CE-CG 4.4Å; P579-E581 PolarHBondContact O-N 3.2Å
580V89.9Confident77.9Confident20 Ų2085.2 Ų85.212%0.12147%0.471CS..  trans-80.3108.9171.5178.10000108.7H491 L502 L503 D508 F509 L510 Q578H491-V580 PolarHBondContact NE2-O 3.02Å; L502-V580 HydrophobicContact CB-CG1 4.14Å; L503-V580 HydrophobicContact CD2-CG2 4.08Å; D508-V580 HydrophobicContact CB-CG2 3.8Å; F509-V580 PolarHBondContact O-N 3.31Å; L510-V580 HydrophobicContact CB-CB 4.38Å; L510-V580 HydrophobicContact CD2-CB 4.45Å; L510-V580 HydrophobicContact CD2-CG1 4.42Å; Q578-V580 PolarHBondContact O-N 3.07Å
581E85.6Confident79Confident138 Ų13883.8 Ų83.865%0.64544%0.442SS*.  trans-67.6139.5-174.3-57.7-169.9143.700113.2P488 H491 P579 K583P488-E581 HydrophobicContact CB-CG 4.43Å; P488-E581 CarbonylContact O-C 3.49Å; P488-E581 WeakPolarHBondContact O-CA 3.47Å; H491-E581 PolarHBondContact CE1-O 3.46Å; P579-E581 PolarHBondContact O-N 3.2Å; E581-K583 PolarHBondContact O-N 3.25Å
582R80.9Confident80.2Confident76 Ų7684 Ų8429%0.28741%0.412SS..  trans-71.9107.7168.9-174.8-173.669.3-128.94.6109.4R485 P488 F490 H491 L584R485-R582 PolarHBondContact O-NH1 2.97Å; R485-R582 VanDerWaalsContact O-NH1 3.07Å; R485-R582 PolarHBondContact O-NH2 3.42Å; P488-R582 PolarHBondContact O-N 2.95Å; F490-R582 WeakPolarHBondContact O-CD 3.49Å; F490-R582 PolarHBondContact O-NH1 2.88Å; H491-R582 VanDerWaalsContact CE1-CA 3.49Å; H491-R582 WeakPolarHBondContact CE1-CA 3.13Å; H491-R582 PolarHBondContact NE2-N 3.42Å; R582-L584 PolarHBondContact O-N 2.57Å
583K67.1Low81.3Confident197 Ų19787.2 Ų87.286%0.85742%0.419SS*.  trans-57.9119.7164.9-63.5-178-178.7179.60108.7E581E581-K583 PolarHBondContact O-N 3.25Å
584L49.4Very low81.2Confident214 Ų21485.4 Ų85.4100%1.1241%0.412SS*.  trans-81.40-178.8-86.4162.6000112.1R582R582-L584 PolarHBondContact O-N 2.57Å

Retrieved 584 of 584 residues in 128.2 ms (Link to these results)