A0A077Z5R3_TRITR Loading...

Ran BP1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z5R3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 310 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
1M45.8Very low47.4Very low239 Ų239162.1 Ų162.1100%1.17788%0.878SS**  01280-78.5-172.9-168.800107.5
2S50.8Low46.7Very low121 Ų121163.4 Ų163.485%0.84687%0.874SS**  trans63.490.7163.347.30000119
3E39.3Very low46.2Very low186 Ų186159.7 Ų159.787%0.86986%0.861SS**  trans-64.4150.9150.6-69.3158.3137.100111.5
4A54.4Low45.6Very low105 Ų105156.6 Ų156.687%0.86885%0.85SS**  trans-149.397156.800000108.9
5E47.4Very low45.4Very low188 Ų188154.6 Ų154.688%0.87985%0.845SS**  trans-83.8126.7170-67.6-174.7131.200109.7
6H52.3Low44.8Very low189 Ų189156.1 Ų156.188%0.87585%0.845SS**  trans-103.4106.6166.5-112.7-50.1000108.9
7K44.9Very low44.5Very low192 Ų192152.4 Ų152.484%0.83584%0.84SS**  trans-90.2122171.3-161.6168.6-177.1175.30108.3
8T53Low44Very low127 Ų127151.1 Ų151.178%0.77984%0.838SS**  trans-111.3124.5173.944.30000108.9G10T8-G10 PolarHBondContact O-N 3.48Å
9D44.6Very low44Very low160 Ų160151.6 Ų151.686%0.85684%0.837SS**  trans-73.6117.4178.8-77.3-42.4000110.6K11D9-K11 PolarHBondContact O-N 3.26Å
10G43Very low43.9Very low80 Ų80148.8 Ų148.883%0.82583%0.828SS**  trans-82.3106.4168.900000110.2T8 E12T8-G10 PolarHBondContact O-N 3.48Å; G10-E12 PolarHBondContact O-N 3.25Å
11K45.9Very low44.1Very low196 Ų196147.4 Ų147.485%0.85283%0.826SS**  trans-82.6109.9172.5-168.1172.5-177.2176.50109.2D9 V13D9-K11 PolarHBondContact O-N 3.26Å; K11-V13 PolarHBondContact O-N 2.91Å
12E38.9Very low44.3Very low178 Ų178144.1 Ų144.183%0.83281%0.812SS**  trans-65.5119.9174.4-156.4172-165.900109.6G10G10-E12 PolarHBondContact O-N 3.25Å
13V40.5Very low44.3Very low115 Ų115145.3 Ų145.370%0.69781%0.807SS**  trans-107.193.9175177.50000107.5K11 T15K11-V13 PolarHBondContact O-N 2.91Å; V13-T15 HydrophobicContact CG1-CG2 4.26Å; V13-T15 PolarHBondContact O-N 2.81Å
14T37.5Very low45Very low117 Ų117142.6 Ų142.672%0.71880%0.804SS**  trans-73.8111.3170.6-36.60000108.2
15T42.5Very low44.8Very low126 Ų126145.3 Ų145.377%0.77380%0.803SS**  trans-92.8103.2174.339.10000108.9V13V13-T15 HydrophobicContact CG1-CG2 4.26Å; V13-T15 PolarHBondContact O-N 2.81Å
16E36.3Very low45Very low179 Ų179145.5 Ų145.584%0.83680%0.801SS**  trans-76.4118.8166.7-72.4-172.9156.900109.2T18E16-T18 PolarHBondContact O-N 3.47Å
17A40.1Very low45.5Very low93 Ų93148 Ų14877%0.76980%0.803SS**  trans-82103.8174.100000109.9I19A17-I19 PolarHBondContact O-N 2.82Å; A17-I19 VanDerWaalsContact O-N 3.15Å
18T35.3Very low46.1Very low129 Ų129143.8 Ų143.879%0.79180%0.795SS**  trans-65.4104.1170.1-580000110.4E16 S20E16-T18 PolarHBondContact O-N 3.47Å; T18-S20 PolarHBondContact O-N 2.87Å
19I44.3Very low46.3Very low161 Ų161141.1 Ų141.183%0.82678%0.782SS**  trans-75.4113.7172-60.5169.6000108.3A17A17-I19 PolarHBondContact O-N 2.82Å; A17-I19 VanDerWaalsContact O-N 3.15Å
20S41Very low46.9Very low95 Ų95142.6 Ų142.666%0.66478%0.781SS**  trans-75.2139.8174-62.50000110.3T18 L22T18-S20 PolarHBondContact O-N 2.87Å; S20-L22 PolarHBondContact O-N 2.84Å
21P48.4Very low47.2Very low120 Ų120145.2 Ų145.278%0.77978%0.775SS**  trans-75.1121.4-176.330.2-31.4000110.1I23P21-I23 PolarHBondContact O-N 3.08Å; P21-I23 VanDerWaalsContact O-N 3.15Å
22L49.5Very low47.5Very low170 Ų170139.6 Ų139.689%0.8976%0.757SS**  trans-63.5111.9166.2-106.1156.4000108.5S20 T24S20-L22 PolarHBondContact O-N 2.84Å; L22-T24 PolarHBondContact O-N 3.47Å; L22-T24 VanDerWaalsContact O-N 3.15Å
23I50.8Low48.3Very low145 Ų145135.6 Ų135.674%0.74475%0.745SS**  trans-58.2112.1176.1-67.5166.6000108.6P21 L25P21-I23 PolarHBondContact O-N 3.08Å; P21-I23 VanDerWaalsContact O-N 3.15Å; I23-L25 PolarHBondContact O-N 2.83Å; I23-L25 VanDerWaalsContact O-N 3.15Å
24T53.7Low48.9Very low130 Ų130133.5 Ų133.580%0.79873%0.732SS**  trans-73.610217246.50000109.4L22 F26L22-T24 PolarHBondContact O-N 3.47Å; L22-T24 VanDerWaalsContact O-N 3.15Å; T24-F26 PolarHBondContact O-N 2.84Å
25L51.9Low49.8Very low161 Ų161132.4 Ų132.484%0.84373%0.726SS**  trans-80.923.7177.4-111.1153.2000113.5I23I23-L25 PolarHBondContact O-N 2.83Å; I23-L25 VanDerWaalsContact O-N 3.15Å
26F51.6Low50.5Low193 Ų193131 Ų13185%0.84671%0.713SS**  trans-106.4106.9174.1-83.4-82.2000110.5T24 P28T24-F26 PolarHBondContact O-N 2.84Å; F26-P28 WeakPolarHBondContact O-CD 3.24Å
27R62.1Low51.6Low240 Ų240129.8 Ų129.891%0.90671%0.705SS**PPolyproline II helixtrans-66.4118.5171.7-157.7179.1-167.7-175.14.3108.1S29R27-S29 PolarHBondContact O-N 3.16Å
28P58.1Low52.5Low105 Ų105130.2 Ų130.268%0.68269%0.694SS**PPolyproline II helixtrans-63.6132.6178.924.5-31.5000109.7F26F26-P28 WeakPolarHBondContact O-CD 3.24Å
29S57.5Low53.5Low70 Ų70134.2 Ų134.249%0.4969%0.694SS.*PPolyproline II helixtrans-72.3155.2177.272.50000110.7R27 L31 T32R27-S29 PolarHBondContact O-N 3.16Å; S29-L31 PolarHBondContact O-N 3.4Å; S29-T32 PolarHBondContact O-N 3.42Å
30K57.2Low54.1Low192 Ų192134.5 Ų134.584%0.83569%0.689SS**THydrogen-bonded Turntrans-62.3-7.3-176.8-70.3-175.3177.3175.20114.8T33K30-T33 PolarHBondContact O-OG1 3.47Å
31L47.4Very low54.6Low135 Ų135135.4 Ų135.471%0.70769%0.691SS**THydrogen-bonded Turntrans-86.8-24.2179.9-71.4162.3000112.8S29 T33 T34S29-L31 PolarHBondContact O-N 3.4Å; L31-T33 VanDerWaalsContact C-N 3.29Å; L31-T33 PolarHBondContact O-N 3.25Å; L31-T34 PolarHBondContact O-N 2.64Å
32T54Low54.6Low77 Ų77134.5 Ų134.547%0.47268%0.684SS.*Hα-helixtrans-68.9-28-179.8-56.40000112.3S29S29-T32 PolarHBondContact O-N 3.42Å
33T54.1Low54.5Low94 Ų94129.4 Ų129.458%0.57767%0.666SS**Hα-helixtrans-81.1-13.2-179.657.40000113.9K30 L31K30-T33 PolarHBondContact O-OG1 3.47Å; L31-T33 VanDerWaalsContact C-N 3.29Å; L31-T33 PolarHBondContact O-N 3.25Å
34T54Low54.2Low71 Ų71128.5 Ų128.544%0.43667%0.669SS.*Hα-helixtrans-89-35.4179-35.70000111.8L31 K37 I38L31-T34 PolarHBondContact O-N 2.64Å; T34-K37 PolarHBondContact O-N 2.76Å; T34-I38 HydrophobicContact CG2-CD1 4.48Å; T34-I38 WeakPolarHBondContact O-CG1 3.47Å; T34-I38 PolarHBondContact O-N 3.48Å
35V56.1Low53.5Low95 Ų95129 Ų12958%0.57667%0.673SS**Hα-helixtrans-65.3-40.8178.5176.80000111.6K37 I38 W39V35-K37 PolarHBondContact O-N 3.44Å; V35-I38 PolarHBondContact O-N 2.93Å; V35-W39 PolarHBondContact O-N 3.47Å; V35-W39 VanDerWaalsContact O-N 3.17Å
36D57.2Low53.3Low95 Ų95126.6 Ų126.651%0.50867%0.669SS.*Hα-helixtrans-66.7-24.4176.5-79.2-21.1000113.5K40D36-K40 WeakPolarHBondContact O-CB 3.38Å; D36-K40 WeakPolarHBondContact O-CD 3.5Å; D36-K40 VanDerWaalsContact O-CG 3.24Å; D36-K40 WeakPolarHBondContact O-CG 3.42Å
37K60.6Low52.5Low154 Ų154120.8 Ų120.867%0.6766%0.663SS**Hα-helixtrans-76.6-41.8174.9-83.6-179.8175.9-179.10111.5T34 V35 K40 T41T34-K37 PolarHBondContact O-N 2.76Å; V35-K37 PolarHBondContact O-N 3.44Å; K37-K40 PolarHBondContact O-N 3.39Å; K37-T41 WeakPolarHBondContact O-CG2 3.45Å; K37-T41 PolarHBondContact O-N 3.33Å; K37-T41 VanDerWaalsContact O-N 3.13Å; K37-T41 PolarHBondContact O-OG1 3.31Å
38I57.5Low51.6Low103 Ų103115.9 Ų115.953%0.52866%0.66SS.*Hα-helixtrans-65.6-44.6-178.6-64.2165.9000110.6T34 V35 K40 T41 T42T34-I38 HydrophobicContact CG2-CD1 4.48Å; T34-I38 WeakPolarHBondContact O-CG1 3.47Å; T34-I38 PolarHBondContact O-N 3.48Å; V35-I38 PolarHBondContact O-N 2.93Å; I38-K40 VanDerWaalsContact C-N 3.29Å; I38-K40 PolarHBondContact O-N 3.08Å; I38-T41 WeakPolarHBondContact CA-OG1 3.47Å; I38-T41 PolarHBondContact O-N 3.06Å; I38-T41 PolarHBondContact O-OG1 3.49Å; I38-T42 PolarHBondContact O-N 3.11Å; I38-T42 PolarHBondContact O-OG1 3.29Å
39W55.9Low50.6Low212 Ų212118.8 Ų118.880%0.80366%0.664SS**Hα-helixtrans-67.4-28.6-179.9-161.1-86000113.2V35V35-W39 PolarHBondContact O-N 3.47Å; V35-W39 VanDerWaalsContact O-N 3.17Å
40K56.9Low49.7Very low167 Ų167122.7 Ų122.773%0.72668%0.68SS**Hα-helixtrans-79.7-25.6175.7-73.6178.9-176.3-179.70113.2D36 K37 I38D36-K40 WeakPolarHBondContact O-CB 3.38Å; D36-K40 WeakPolarHBondContact O-CD 3.5Å; D36-K40 VanDerWaalsContact O-CG 3.24Å; D36-K40 WeakPolarHBondContact O-CG 3.42Å; K37-K40 PolarHBondContact O-N 3.39Å; I38-K40 VanDerWaalsContact C-N 3.29Å; I38-K40 PolarHBondContact O-N 3.08Å
41T53.3Low48.9Very low114 Ų114117.5 Ų117.570%0.69967%0.673SS**Hα-helixtrans-85.7-16.9-179.943.80000114.6K37 I38K37-T41 WeakPolarHBondContact O-CG2 3.45Å; K37-T41 PolarHBondContact O-N 3.33Å; K37-T41 VanDerWaalsContact O-N 3.13Å; K37-T41 PolarHBondContact O-OG1 3.31Å; I38-T41 WeakPolarHBondContact CA-OG1 3.47Å; I38-T41 PolarHBondContact O-N 3.06Å; I38-T41 PolarHBondContact O-OG1 3.49Å
42T47.5Very low48.4Very low102 Ų102118.7 Ų118.763%0.62668%0.68SS**SBendtrans-104.18.1-17955.50000114I38 P44I38-T42 PolarHBondContact O-N 3.11Å; I38-T42 PolarHBondContact O-OG1 3.29Å; T42-P44 WeakPolarHBondContact O-CD 3.49Å
43A47.2Very low48.1Very low63 Ų63124.7 Ų124.752%0.52170%0.7SS.*  trans-76.4121.9175.700000110.2T45A43-T45 PolarHBondContact O-N 2.59Å
44P45.4Very low47.6Very low125 Ų125126.1 Ų126.181%0.81271%0.713SS**  trans-70113.6176.927.3-30.2000109.7T42 S46T42-P44 WeakPolarHBondContact O-CD 3.49Å; P44-S46 PolarHBondContact O-N 3.5Å
45T38.8Very low47.3Very low142 Ų142127.8 Ų127.887%0.87173%0.728SS**  trans-80102.8170.545.90000110A43A43-T45 PolarHBondContact O-N 2.59Å
46S48.1Very low47Very low110 Ų110134.7 Ų134.777%0.76974%0.744SS**  trans-150117154.7570000108.4P44P44-S46 PolarHBondContact O-N 3.5Å
47G34.4Very low46.6Very low70 Ų70137.5 Ų137.572%0.72276%0.757SS**  trans-70.8-172.917400000112.8
48V43.8Very low45.7Very low137 Ų137136.5 Ų136.583%0.8376%0.759SS**  trans96.990.7180-166.40000113.9
49E35.7Very low45.3Very low166 Ų166138.5 Ų138.578%0.77677%0.77SS**  23.5106.6125.5-56.8176.8-175.200117.3
50N38.8Very low44.9Very low153 Ų153134 Ų13482%0.81877%0.766SS**  162.3134.1118.3-88.5-60.2000113.7
51A40.3Very low44.6Very low83 Ų83132.5 Ų132.569%0.68676%0.764SS**  trans61.7100.9141.900000120.2
52D37.4Very low44.1Very low159 Ų159131.8 Ų131.885%0.8577%0.77SS**  18.4102.4129.4-66.2-35.1000117.2
53K46.9Very low44.2Very low204 Ų204135.3 Ų135.389%0.88778%0.779SS**  trans-160.388.9150.5-101.6159.1-149.5-173.50109.2S55K53-S55 PolarHBondContact O-N 3.11Å
54S44.8Very low44Very low123 Ų123141 Ų14186%0.8679%0.792SS**  trans-66.8109.2169.4-172.70000109.1
55S47.4Very low44.2Very low107 Ų107142.7 Ų142.775%0.74879%0.794SS**  trans-83.8111.7173.648.10000109.1K53K53-S55 PolarHBondContact O-N 3.11Å
56R49.5Very low44.4Very low240 Ų240142.8 Ų142.891%0.90679%0.79SS**  trans-69.3127.6168.5-80.9179146.8114.5-4108.9
57I48.5Very low44.4Very low153 Ų153141.3 Ų141.379%0.78579%0.792SS**  trans-83.7112.9167.2-63.4150.2000106.4L59I57-L59 HydrophobicContact CG2-CD1 3.78Å
58D42.8Very low44.8Very low133 Ų133145.3 Ų145.371%0.71180%0.797SS**  trans-101117.3175.4-156.8-12.9000109T60D58-T60 PolarHBondContact O-N 3.29Å
59L47.8Very low45.1Very low145 Ų145145.1 Ų145.176%0.75979%0.791SS**  trans-100.770.8-176.9-124.682.8000109I57I57-L59 HydrophobicContact CG2-CD1 3.78Å
60T47.4Very low45.7Very low119 Ų119146 Ų14673%0.7379%0.792SS**  trans-92.6101.4172.127.70000110.1D58 A62D58-T60 PolarHBondContact O-N 3.29Å; T60-A62 PolarHBondContact O-N 2.96Å
61I50Low45.6Very low134 Ų134147.4 Ų147.469%0.68779%0.794SS**  trans-76.3104.8171-62.2170.1000107.5H63I61-H63 PolarHBondContact O-N 2.9Å
62A43Very low45.9Very low99 Ų99149 Ų14982%0.81880%0.8SS**  trans-76.3105.3169.500000109.3T60 K64T60-A62 PolarHBondContact O-N 2.96Å; A62-K64 PolarHBondContact O-N 3.13Å
63H50.9Low45.9Very low176 Ų176147.3 Ų147.382%0.81580%0.796SS**  trans-67.8120.6164.5-88-109.2000109I61I61-H63 PolarHBondContact O-N 2.9Å
64K42Very low45.6Very low182 Ų182145.3 Ų145.379%0.79180%0.795SS**  trans-91.1107.2169.7-171.9174.8179.1177.50107A62A62-K64 PolarHBondContact O-N 3.13Å
65D50.9Low45.2Very low161 Ų161151 Ų15186%0.86180%0.797SS**  trans-106.7121169.5-126.7-12.1000107.4
66D42.6Very low45Very low145 Ų145153.3 Ų153.378%0.77580%0.8SS**  trans-82.1124.6176.4-74.5-48.5000109
67G47.3Very low44.6Very low79 Ų79148.7 Ų148.781%0.81479%0.793SS**  trans-176104.2178.200000114
68D43.2Very low43.9Very low154 Ų154151.4 Ų151.482%0.82480%0.799SS**  trans-28.2131170.1-132-5.3000117.1
69D49.4Very low43.7Very low132 Ų132150.3 Ų150.371%0.70680%0.802SS**  163.6118.5128-88.8-39.7000114.4
70K48.1Very low43.2Very low184 Ų184148.5 Ų148.580%0.880%0.801SS**  trans51.1110.1141.3-66.7-179.8-178.3163.50122.6
71E38.3Very low42.9Very low183 Ų183147.5 Ų147.586%0.85581%0.805SS**  50.9100.8124.6-160.4169.3-159.300119
72S45.6Very low42.6Very low117 Ų117146.2 Ų146.282%0.81881%0.805SS**  -165.2132.7126.122.80000111.6
73T38.3Very low42.4Very low124 Ų124150.3 Ų150.376%0.76181%0.808SS**  trans-54.8133.4177.947.70000113.6
74N40.5Very low42.1Very low161 Ų161147.1 Ų147.186%0.86180%0.801SS**  trans-158.4117136.7-93.3-29.7000111.1
75R36.8Very low42.5Very low242 Ų242144.2 Ų144.291%0.91380%0.803SS**  trans-73125.7169.4-72.9172.4166.9169.2-4.3109
76I42.4Very low43.1Very low157 Ų157140.4 Ų140.481%0.80580%0.802SS**  trans-140101.2153.3-60.1-177.7000108.9
77D40.2Very low44.8Very low142 Ų142138.3 Ų138.376%0.75979%0.794SS**  trans24.4120.6138.3-57.9-40000121.9S79D77-S79 PolarHBondContact O-N 3.32Å
78K34Very low46.4Very low211 Ų211141.6 Ų141.692%0.91779%0.787SS**  trans-24.4119.9145.1-80.6168.8167.2171.90114
79S39Very low48.2Very low109 Ų109139 Ų13976%0.76277%0.772SS**  trans-163.2129.3137.149.10000112.9D77D77-S79 PolarHBondContact O-N 3.32Å
80S36.9Very low49.5Very low108 Ų108142 Ų14276%0.75578%0.778SS**  trans4795.2152.960.60000119.8
81A41.1Very low51.4Low97 Ų97136.6 Ų136.680%0.80278%0.776SS**  trans-71.4127.8155.500000109.9Q83A81-Q83 PolarHBondContact O-N 2.77Å
82P44.1Very low53.6Low107 Ų107132 Ų13270%0.69575%0.754SS**  trans-72.9127.2172.429.1-29.8000109.1T84P82-T84 PolarHBondContact O-N 2.8Å
83Q38.1Very low55.3Low186 Ų186132.5 Ų132.587%0.86974%0.744SS**  trans-63.597167.6-69-167.5-17.500108.7A81A81-Q83 PolarHBondContact O-N 2.77Å
84T45.6Very low57.1Low109 Ų109132.7 Ų132.767%0.66974%0.738SS**  trans-96.196167.953.30000108.6P82 G86P82-T84 PolarHBondContact O-N 2.8Å; T84-G86 PolarHBondContact O-N 2.87Å
85S49.8Very low59.1Low120 Ų120132.6 Ų132.684%0.83973%0.73SS**THydrogen-bonded Turntrans-49.5120163.541.30000111.2
86G64.1Low60.9Low81 Ų81125.6 Ų125.684%0.83571%0.711SS**THydrogen-bonded Turntrans103.513.6148.900000120.2T84T84-G86 PolarHBondContact O-N 2.87Å
87T78.6Confident62.2Low101 Ų101122.2 Ų122.262%0.6269%0.688SS**  trans-89.9122.9178.8-56.40000112.9
88F80Confident63.7Low149 Ų149119.7 Ų119.765%0.65468%0.678SS**  trans-80.5117.8171.6-179.8-82.2000111F90F88-F90 HydrophobicContact CE1-CB 4.1Å; F88-F90 HydrophobicContact CE1-CD2 4.48Å
89I81Confident65.2Low99 Ų99118 Ų11851%0.50867%0.671SS.*  trans-106.6123.9168.2-61.2157.6000108.5G91 Q92 R97I89-G91 PolarHBondContact O-N 2.92Å; I89-Q92 PolarHBondContact O-N 2.9Å; I89-R97 PolarHBondContact O-NH2 3.38Å
90F76.7Confident66.4Low194 Ų194119.2 Ų119.285%0.85167%0.667SS**THydrogen-bonded Turntrans-66.5127.7174.7-176.6-101.8000109.9F88F88-F90 HydrophobicContact CE1-CB 4.1Å; F88-F90 HydrophobicContact CE1-CD2 4.48Å
91G87.6Confident67.2Low72 Ų72121 Ų12174%0.74267%0.668SS**THydrogen-bonded Turntrans97.4-8.4-175.900000115.7I89I89-G91 PolarHBondContact O-N 2.92Å
92Q84.9Confident67.3Low87 Ų87122 Ų12241%0.40766%0.664SS.*  trans-72.5135.5171.4-167.469.555.600110.6I89 D96 R97I89-Q92 PolarHBondContact O-N 2.9Å; Q92-D96 PolarHBondContact NE2-OD2 3Å; Q92-R97 VanDerWaalsContact CB-NH2 3.26Å
93Q81.3Confident67.2Low127 Ų127121.8 Ų121.859%0.59367%0.665SS**  trans-64.3136.7177.3-67.7-71.2-800111.5K95 D96Q93-K95 HydrophobicContact CB-CG 4.18Å; Q93-K95 PolarHBondContact O-N 3.01Å; Q93-D96 PolarHBondContact O-N 3.04Å
94I77.2Confident67.2Low127 Ų127119.8 Ų119.865%0.65166%0.66SS**G310 helixtrans-61.2-33.3-174.1-136.279.8000112.4D96 R97 V98I94-D96 PolarHBondContact O-N 2.85Å; I94-R97 PolarHBondContact O-N 3.41Å; I94-R97 VanDerWaalsContact O-N 3.1Å; I94-V98 PolarHBondContact O-N 3.4Å
95K81.6Confident67.1Low159 Ų159123.8 Ų123.869%0.69167%0.672SS**G310 helixtrans-61.3-25.1-17969.2-177-179.1177.40113.4Q93 R97Q93-K95 HydrophobicContact CB-CG 4.18Å; Q93-K95 PolarHBondContact O-N 3.01Å; K95-R97 PolarHBondContact O-N 2.97Å
96D75.7Confident66.6Low95 Ų95126.5 Ų126.551%0.50867%0.671SS.*G310 helixtrans-79.7-10.1-178.4-55.2-27.8000112.1Q92 Q93 I94Q92-D96 PolarHBondContact NE2-OD2 3Å; Q93-D96 PolarHBondContact O-N 3.04Å; I94-D96 PolarHBondContact O-N 2.85Å
97R69.5Low65.6Low87 Ų87131 Ų13133%0.32868%0.675SS.*THydrogen-bonded Turntrans-108.8-20.6-178.9-63.9-171.8-179155.911.6114.1I89 Q92 I94 K95 K99I89-R97 PolarHBondContact O-NH2 3.38Å; Q92-R97 VanDerWaalsContact CB-NH2 3.26Å; I94-R97 PolarHBondContact O-N 3.41Å; I94-R97 VanDerWaalsContact O-N 3.1Å; K95-R97 PolarHBondContact O-N 2.97Å; R97-K99 PolarHBondContact O-N 3.42Å
98V71.5Confident63.7Low89 Ų89134.6 Ų134.654%0.53969%0.685SS.*  trans-81.598.3179-1770000108.3I94 I100I94-V98 PolarHBondContact O-N 3.4Å; V98-I100 HydrophobicContact CG1-CG1 3.81Å; V98-I100 PolarHBondContact O-N 3.39Å
99K66.1Low61.6Low176 Ų176132.2 Ų132.277%0.76569%0.687SS**  trans-80.6107.4160.9-69.5-175.9179-175.50107.2R97 D101R97-K99 PolarHBondContact O-N 3.42Å; K99-D101 PolarHBondContact O-N 3.43Å
100I63.5Low59.4Low133 Ų133133.8 Ų133.868%0.68270%0.701SS**  trans-81.2108.9166.9-56.9177.1000105.5V98 T102V98-I100 HydrophobicContact CG1-CG1 3.81Å; V98-I100 PolarHBondContact O-N 3.39Å; I100-T102 VanDerWaalsContact C-N 3.35Å; I100-T102 PolarHBondContact O-N 3.12Å; I100-T102 PolarHBondContact O-OG1 2.82Å
101D53Low57.4Low147 Ų147129.6 Ų129.679%0.78670%0.696SS**  trans-64.197.6173.6-72.6-28.7000108.5K99 S103K99-D101 PolarHBondContact O-N 3.43Å; D101-S103 PolarHBondContact O-N 3.11Å
102T43.7Very low55Low117 Ų117133.3 Ų133.372%0.71870%0.699SS**  trans-92.974.2178.7-43.70000107.9I100I100-T102 VanDerWaalsContact C-N 3.35Å; I100-T102 PolarHBondContact O-N 3.12Å; I100-T102 PolarHBondContact O-OG1 2.82Å
103S43.1Very low52.7Low102 Ų102134.1 Ų134.171%0.71372%0.72SS**  trans-93.485.8160.360.90000108.4D101D101-S103 PolarHBondContact O-N 3.11Å
104N37.3Very low50.8Low144 Ų144133 Ų13377%0.7772%0.722SS**  trans162.696.3147.9-89.4-5000108.2E106N104-E106 PolarHBondContact O-N 3.43Å
105E43.6Very low49.2Very low193 Ų193136.3 Ų136.390%0.90274%0.735SS**  trans-71102.8151.5-73.6-162.8155.200107.6
106E39.3Very low47.5Very low177 Ų177135.9 Ų135.983%0.82774%0.739SS**  trans163.2101.1147.2-97.2-179.5168.300105.1N104N104-E106 PolarHBondContact O-N 3.43Å
107L41.7Very low45.9Very low177 Ų177137.6 Ų137.693%0.92776%0.756SS**  trans177.5111.3130.6-90.1159.5000108.5
108E39.1Very low44.6Very low175 Ų175136.8 Ų136.882%0.81878%0.775SS**  trans-59.2147.6173.7-58.8-172.8138.300111.7
109S35.5Very low43.5Very low99 Ų99141.4 Ų141.469%0.69279%0.788SS**  trans33.6101.3148.560.20000117.5
110T35.6Very low42.7Very low133 Ų133138.4 Ų138.482%0.81678%0.776SS**  trans-171.8118.113321.90000109.2D112T110-D112 PolarHBondContact O-N 3.05Å
111S34.9Very low41.9Very low105 Ų105139 Ų13973%0.73478%0.781SS**  trans-6.8113.6148.244.30000116.3
112D36.1Very low41.9Very low151 Ų151139.2 Ų139.281%0.80778%0.781SS**  -167.9120.4123.2-107.3-21000111.6T110 T114T110-D112 PolarHBondContact O-N 3.05Å; D112-T114 PolarHBondContact O-N 3.3Å
113A37.2Very low42.3Very low103 Ų103136.8 Ų136.885%0.85177%0.773SS**  trans-84.183.1177.700000109.5
114T41.2Very low42.7Very low104 Ų104134.8 Ų134.864%0.63876%0.757SS**  trans-160.7102.4170.614.80000109.3D112D112-T114 PolarHBondContact O-N 3.3Å
115Q44.4Very low43.2Very low196 Ų196136.4 Ų136.492%0.91676%0.76SS**  trans155.977.2149.2-84.7163.184.300110.4
116L44.8Very low43.6Very low151 Ų151133.3 Ų133.379%0.79175%0.754SS**  trans-105.4113.4151.3-82.2169.9000106.9G118L116-G118 PolarHBondContact O-N 3Å
117P42.7Very low44.1Very low130 Ų130128.3 Ų128.384%0.84474%0.743SS**THydrogen-bonded Turntrans-73.2122.3178.929.1-29.7000108.6
118G42.6Very low44.2Very low71 Ų71128 Ų12873%0.73274%0.742SS**THydrogen-bonded Turntrans130.9-9.3167.900000117.2L116L116-G118 PolarHBondContact O-N 3Å
119F48.9Very low44.2Very low185 Ų185123 Ų12381%0.81174%0.738SS**SBendtrans-119.9-1.8178-74.2-82.4000114.8
120H48.6Very low44.7Very low114 Ų114125.4 Ų125.453%0.52874%0.743SS.*  trans-76.6-27.7-172.7167.2-83.5000114.5L122 A123 T124H120-L122 PolarHBondContact O-N 3.23Å; H120-L122 VanDerWaalsContact O-N 3.12Å; H120-A123 PolarHBondContact O-N 3.47Å; H120-T124 WeakPolarHBondContact CE1-CG2 3.5Å; H120-T124 PolarHBondContact CE1-OG1 3.42Å; H120-T124 PolarHBondContact ND1-OG1 3.36Å; H120-T124 WeakPolarHBondContact NE2-CG2 3.15Å; H120-T124 PolarHBondContact O-N 3.42Å; H120-T124 PolarHBondContact O-OG1 3.01Å; H120-T124 VanDerWaalsContact O-OG1 3.07Å
121D47.1Very low45Very low146 Ų146126.2 Ų126.278%0.78174%0.742SS**THydrogen-bonded Turntrans-64.4-25-171-107.61000114.3
122L52.7Low45.5Very low150 Ų150126 Ų12679%0.78574%0.741SS**THydrogen-bonded Turntrans-85.5-20.3175.3-165.661.6000112.9H120H120-L122 PolarHBondContact O-N 3.23Å; H120-L122 VanDerWaalsContact O-N 3.12Å
123A52.5Low45.8Very low66 Ų66128.1 Ų128.155%0.54575%0.746SS.*THydrogen-bonded Turntrans-87.4-24.9-177.300000112.8H120H120-A123 PolarHBondContact O-N 3.47Å
124T51.8Low46.4Very low61 Ų61131.6 Ų131.637%0.37474%0.744SS.*G310 helixtrans-82.9-15.9-176.322.50000116.8H120 T126H120-T124 WeakPolarHBondContact CE1-CG2 3.5Å; H120-T124 PolarHBondContact CE1-OG1 3.42Å; H120-T124 PolarHBondContact ND1-OG1 3.36Å; H120-T124 WeakPolarHBondContact NE2-CG2 3.15Å; H120-T124 PolarHBondContact O-N 3.42Å; H120-T124 PolarHBondContact O-OG1 3.01Å; H120-T124 VanDerWaalsContact O-OG1 3.07Å; T124-T126 PolarHBondContact O-N 2.97Å
125E47.5Very low46.6Very low178 Ų178132.3 Ų132.383%0.83274%0.74SS**G310 helixtrans-70.6-12.7173.9-98.1-172.2151.100113.1
126T50.4Low46.9Very low127 Ų127129.3 Ų129.378%0.77974%0.738SS**G310 helixtrans-98.2-1.5-176.6-43.90000113.5T124T124-T126 PolarHBondContact O-N 2.97Å
127A50.5Low47Very low73 Ų73126.6 Ų126.660%0.60373%0.728SS**SBendtrans-100-0.2-167.400000116.2
128N44.9Very low47.2Very low169 Ų169126.2 Ų126.290%0.90472%0.718SS**SBendtrans-124.486.1178.8-89.6-13.9000111.6
129G39.2Very low47.9Very low72 Ų72135.3 Ų135.374%0.74273%0.731SS**  trans164.483.9170.600000114.1
130N45.9Very low48.4Very low149 Ų149130.5 Ų130.580%0.79772%0.717SS**  trans11.5127.1152.8-67.1-16.9000119.5
131N41.8Very low48.8Very low149 Ų149133 Ų13380%0.79773%0.728SS**  trans93.7123.8144.6-68.1-13.6000119.8
132S44.3Very low49.4Very low100 Ų100132.9 Ų132.970%0.69973%0.733SS**  trans67.8104.5157600000119H134S132-H134 PolarHBondContact O-N 3.3Å
133E43.5Very low49.8Very low196 Ų196130.8 Ų130.892%0.91673%0.727SS**  trans45.972.3135.3-64.917816200116.6
134H49.8Very low50.6Low177 Ų177131.7 Ų131.782%0.81973%0.734SS**  trans-114.6103.7158.2-111.1-87.1000109.9S132S132-H134 PolarHBondContact O-N 3.3Å
135H45.7Very low51.3Low119 Ų119132.8 Ų132.855%0.55175%0.749SS**  trans-59.4139.4167.876.5-74.8000109.7T137H135-T137 WeakPolarHBondContact CD2-CB 3.29Å; H135-T137 PolarHBondContact CD2-N 3.25Å; H135-T137 PolarHBondContact CD2-OG1 3.01Å; H135-T137 VanDerWaalsContact CD2-OG1 3.31Å; H135-T137 VanDerWaalsContact NE2-CB 3.32Å; H135-T137 WeakPolarHBondContact NE2-CB 3.29Å; H135-T137 PolarHBondContact NE2-O 3.34Å; H135-T137 PolarHBondContact O-N 3.48Å
136P49.4Very low52.3Low132 Ų132128.2 Ų128.286%0.85774%0.735SS**SBendtrans-83.274.7171.733.1-29.7000107.9
137T47.6Very low53Low95 Ų95130 Ų13058%0.58374%0.74SS**  trans-136.181.4164.4-480000107.9H135H135-T137 WeakPolarHBondContact CD2-CB 3.29Å; H135-T137 PolarHBondContact CD2-N 3.25Å; H135-T137 PolarHBondContact CD2-OG1 3.01Å; H135-T137 VanDerWaalsContact CD2-OG1 3.31Å; H135-T137 VanDerWaalsContact NE2-CB 3.32Å; H135-T137 WeakPolarHBondContact NE2-CB 3.29Å; H135-T137 PolarHBondContact NE2-O 3.34Å; H135-T137 PolarHBondContact O-N 3.48Å
138D46.6Very low53.4Low121 Ų121132.3 Ų132.365%0.64774%0.74SS**  trans-152.398.7151.7-134.4-5.6000109.7T140D138-T140 WeakPolarHBondContact CB-OG1 3.31Å; D138-T140 VanDerWaalsContact CG-CB 3.43Å; D138-T140 PolarHBondContact O-N 3.05Å; D138-T140 VanDerWaalsContact OD1-CG2 3.28Å; D138-T140 WeakPolarHBondContact OD1-CG2 3.39Å; D138-T140 PolarHBondContact OD1-N 3.5Å; D138-T140 PolarHBondContact OD1-OG1 3.19Å; D138-T140 WeakPolarHBondContact OD2-CB 3.33Å; D138-T140 WeakPolarHBondContact OD2-CG2 3.47Å; D138-T140 PolarHBondContact OD2-OG1 2.91Å
139W58.1Low54Low262 Ų262130.3 Ų130.399%0.99274%0.739SS**  trans-71.935.2151.9-71.296000109.2Q141W139-Q141 VanDerWaalsContact C-N 3.32Å; W139-Q141 PolarHBondContact O-N 2.91Å
140T58.1Low55.1Low84 Ų84135 Ų13552%0.51573%0.734SS.*  trans-58.9104.3173.914.70000106.3D138 V142D138-T140 WeakPolarHBondContact CB-OG1 3.31Å; D138-T140 VanDerWaalsContact CG-CB 3.43Å; D138-T140 PolarHBondContact O-N 3.05Å; D138-T140 VanDerWaalsContact OD1-CG2 3.28Å; D138-T140 WeakPolarHBondContact OD1-CG2 3.39Å; D138-T140 PolarHBondContact OD1-N 3.5Å; D138-T140 PolarHBondContact OD1-OG1 3.19Å; D138-T140 WeakPolarHBondContact OD2-CB 3.33Å; D138-T140 WeakPolarHBondContact OD2-CG2 3.47Å; D138-T140 PolarHBondContact OD2-OG1 2.91Å; T140-V142 PolarHBondContact O-N 2.94Å
141Q58Low55.6Low166 Ų166133.3 Ų133.378%0.77673%0.731SS**  trans13.687149.1-57-17321.700111.8W139 T143W139-Q141 VanDerWaalsContact C-N 3.32Å; W139-Q141 PolarHBondContact O-N 2.91Å; Q141-T143 PolarHBondContact O-N 3.35Å
142V58.3Low56.2Low145 Ų145131.2 Ų131.288%0.87973%0.728SS**  trans-65.578.7152.5-178.70000104.4T140 A144T140-V142 PolarHBondContact O-N 2.94Å; V142-A144 VanDerWaalsContact C-N 3.35Å; V142-A144 PolarHBondContact O-N 2.86Å
143T61.9Low57.1Low106 Ų106132.9 Ų132.965%0.6573%0.725SS**  trans-63.6106.6167.2-48.70000103.7Q141 A145Q141-T143 PolarHBondContact O-N 3.35Å; T143-A145 PolarHBondContact O-N 3.35Å
144A68.8Low58.1Low84 Ų84132.4 Ų132.469%0.69472%0.723SS**  trans-50.3111171.800000106.8V142 P146V142-A144 VanDerWaalsContact C-N 3.35Å; V142-A144 PolarHBondContact O-N 2.86Å; A144-P146 VanDerWaalsContact O-N 3.13Å
145A67.1Low59Low85 Ų85131.1 Ų131.170%0.70272%0.715SS**  trans-55.1124.2172.200000105.3T143 D147T143-A145 PolarHBondContact O-N 3.35Å; A145-D147 PolarHBondContact O-N 3.15Å; A145-D147 VanDerWaalsContact O-N 3.08Å
146P67.8Low60.6Low81 Ų81133.2 Ų133.253%0.52673%0.73SS.*  trans-56.3126.2177.722.4-30.1000106.6A144 I148A144-P146 VanDerWaalsContact O-N 3.13Å; P146-I148 HydrophobicContact CB-CG1 4.26Å; P146-I148 HydrophobicContact CG-CD1 4.34Å; P146-I148 HydrophobicContact CG-CG1 4.1Å; P146-I148 WeakPolarHBondContact O-CG1 3.33Å; P146-I148 PolarHBondContact O-N 3.03Å
147D66.6Low62.1Low166 Ų166135.7 Ų135.789%0.88872%0.724SS**  trans-66.492.6170.4-115-21000106.2A145 C149A145-D147 PolarHBondContact O-N 3.15Å; A145-D147 VanDerWaalsContact O-N 3.08Å; D147-C149 PolarHBondContact O-N 3.27Å
148I59.1Low64Low120 Ų120137.2 Ų137.262%0.61573%0.733SS**  trans-77.770.7-178.7-56.3174.4000107.6P146 R150P146-I148 HydrophobicContact CB-CG1 4.26Å; P146-I148 HydrophobicContact CG-CD1 4.34Å; P146-I148 HydrophobicContact CG-CG1 4.1Å; P146-I148 WeakPolarHBondContact O-CG1 3.33Å; P146-I148 PolarHBondContact O-N 3.03Å; I148-R150 HydrophobicContact CG2-CB 3.75Å; I148-R150 HydrophobicContact CG2-CG 4.07Å
149C57.3Low65.9Low128 Ų128137.9 Ų137.987%0.86574%0.735SS**  trans-86.633.1135.7-85.50000109.1D147 P151D147-C149 PolarHBondContact O-N 3.27Å; C149-P151 WeakPolarHBondContact O-CD 3.43Å
150R60.7Low67.5Low169 Ų169131.5 Ų131.564%0.63872%0.719SS**  trans-59.1126.4165.9-70.7-177.2170.3-145.5-2.4106I148 S152I148-R150 HydrophobicContact CG2-CB 3.75Å; I148-R150 HydrophobicContact CG2-CG 4.07Å; R150-S152 PolarHBondContact O-N 3.2Å
151P56.8Low68.9Low115 Ų115130 Ų13075%0.74771%0.71SS**  trans-51111.3166.4-20.931.3000107.4C149 E153C149-P151 WeakPolarHBondContact O-CD 3.43Å; P151-E153 PolarHBondContact O-N 3.03Å
152S54Low70.4Confident105 Ų105124.6 Ų124.673%0.73470%0.699SS**SBendtrans-57.6127.716853.50000106.9R150R150-S152 PolarHBondContact O-N 3.2Å
153E64Low71.9Confident134 Ų134118.6 Ų118.663%0.62666%0.661SS**SBendtrans98.796.3-165.7-58.3168.9-159.800112P151 K155P151-E153 PolarHBondContact O-N 3.03Å; E153-K155 HydrophobicContact CB-CG 4.31Å; E153-K155 PolarHBondContact O-N 2.94Å; E153-K155 WeakPolarHBondContact OE2-CE 3.39Å; E153-K155 IonicContact OE2-NZ 3.76Å; E153-K155 PolarHBondContact OE2-NZ 3.21Å
154E64.4Low73.3Confident187 Ų187119.5 Ų119.587%0.87466%0.658SS**  trans-6076.9159.3-64.3179168.400108.6D156E154-D156 PolarHBondContact O-N 3.32Å
155K69.4Low74.4Confident150 Ų150122.1 Ų122.165%0.65266%0.66SS**  trans-76.8102.2168-78.9178177.4141.30106.9E153 Y157E153-K155 HydrophobicContact CB-CG 4.31Å; E153-K155 PolarHBondContact O-N 2.94Å; E153-K155 WeakPolarHBondContact OE2-CE 3.39Å; E153-K155 IonicContact OE2-NZ 3.76Å; E153-K155 PolarHBondContact OE2-NZ 3.21Å; K155-Y157 WeakPolarHBondContact O-CD1 3.32Å; K155-Y157 PolarHBondContact O-N 3.23Å
156D79.7Confident75.8Confident163 Ų163120.2 Ų120.287%0.87264%0.637SS**  trans-56.7103.2162.5-74.3-21.2000107.9E154E154-D156 PolarHBondContact O-N 3.32Å
157Y80.8Confident77.1Confident184 Ų184118.9 Ų118.972%0.72263%0.63SS**  trans-93.5125.8170.658.5-88.8000108.3K155 I159K155-Y157 WeakPolarHBondContact O-CD1 3.32Å; K155-Y157 PolarHBondContact O-N 3.23Å; Y157-I159 HydrophobicContact CD2-CG1 3.96Å; Y157-I159 HydrophobicContact CE2-CD1 4.29Å; Y157-I159 HydrophobicContact CE2-CG1 3.71Å; Y157-I159 PolarHBondContact O-N 2.68Å
158T87.2Confident78.6Confident127 Ų127114.7 Ų114.778%0.77961%0.607SS**  trans-69.6121.5167.3-53.50000108.3I160T158-I160 PolarHBondContact O-N 3.31Å
159I87Confident80.4Confident134 Ų134112.4 Ų112.469%0.68760%0.596SS**  trans-72.6113176.4-60172.1000107.8Y157Y157-I159 HydrophobicContact CD2-CG1 3.96Å; Y157-I159 HydrophobicContact CE2-CD1 4.29Å; Y157-I159 HydrophobicContact CE2-CG1 3.71Å; Y157-I159 PolarHBondContact O-N 2.68Å
160I89.7Confident82.3Confident128 Ų128107.1 Ų107.166%0.65656%0.559SS**  trans-103.3130.6174.8-60.7171.6000108.1T158 E164T158-I160 PolarHBondContact O-N 3.31Å; I160-E164 HydrophobicContact CG2-CG 4.4Å
161T88.8Confident84.1Confident54 Ų54103.9 Ų103.933%0.33155%0.551SS.*  trans-80.9-22-177.466.60000113.4E163 E164 R212T161-E163 VanDerWaalsContact C-N 3.25Å; T161-E163 PolarHBondContact OG1-N 3.01Å; T161-E163 VanDerWaalsContact OG1-N 3.11Å; T161-E164 WeakPolarHBondContact CB-OE1 3.4Å; T161-E164 WeakPolarHBondContact CG2-OE1 3.49Å; T161-E164 PolarHBondContact OG1-OE1 3.25Å; T161-R212 PolarHBondContact O-NH2 2.75Å
162G90.1Very high86.1Confident52 Ų5299 Ų9954%0.53652%0.518SS..SBendtrans74.812.6-169.800000113.8R208G162-R208 PolarHBondContact O-NH2 3.27Å
163E89.7Confident88.2Confident18 Ų1897.3 Ų97.38%0.08451%0.507CS..  trans-115.74177.6-66.5169-142.200112.2T161 D165 E166 R195 N197 V210 R212T161-E163 VanDerWaalsContact C-N 3.25Å; T161-E163 PolarHBondContact OG1-N 3.01Å; T161-E163 VanDerWaalsContact OG1-N 3.11Å; E163-D165 VanDerWaalsContact C-N 3.3Å; E163-D165 PolarHBondContact O-N 3.18Å; E163-E166 PolarHBondContact O-N 2.94Å; E163-R195 IonicContact OE2-CZ 3.42Å; E163-R195 IonicContact OE2-NH1 3.58Å; E163-R195 PolarHBondContact OE2-NH1 3.36Å; E163-N197 PolarHBondContact OE2-ND2 2.87Å; E163-V210 WeakPolarHBondContact OE1-CG1 3.36Å; E163-R212 IonicContact OE1-CZ 3.99Å; E163-R212 IonicContact OE1-NE 2.96Å; E163-R212 PolarHBondContact OE1-NE 3.01Å; E163-R212 IonicContact OE1-NH2 3.99Å; E163-R212 PolarHBondContact OE1-NH2 3.18Å
164E89.6Confident89.8Confident126 Ų12691.2 Ų91.259%0.58948%0.478SS*.THydrogen-bonded Turntrans-66.8-26-170.6-51.5-58.2140.900114I160 T161 E166I160-E164 HydrophobicContact CG2-CG 4.4Å; T161-E164 WeakPolarHBondContact CB-OE1 3.4Å; T161-E164 WeakPolarHBondContact CG2-OE1 3.49Å; T161-E164 PolarHBondContact OG1-OE1 3.25Å; E164-E166 VanDerWaalsContact C-N 3.31Å
165D92.4Very high91.5Very high139 Ų13984.3 Ų84.374%0.74345%0.446SS*.THydrogen-bonded Turntrans-92.214.5-179.5-56.5-46.4000112.9E163E163-D165 VanDerWaalsContact C-N 3.3Å; E163-D165 PolarHBondContact O-N 3.18Å
166E96.1Very high92.8Very high44 Ų4477.1 Ų77.121%0.20642%0.415CS..SBendtrans-123.8147.6-174.5-49.9-175.5157.800112.3E163 E164 N197 K199 R208E163-E166 PolarHBondContact O-N 2.94Å; E164-E166 VanDerWaalsContact C-N 3.31Å; E166-N197 HydrophobicContact CB-CB 3.97Å; E166-N197 WeakPolarHBondContact OE2-CB 3.31Å; E166-N197 PolarHBondContact OE2-ND2 2.67Å; E166-N197 VanDerWaalsContact OE2-ND2 3.13Å; E166-K199 HydrophobicContact CG-CB 4.16Å; E166-R208 VanDerWaalsContact CD-CZ 3.49Å; E166-R208 VanDerWaalsContact CD-NE 3.26Å; E166-R208 IonicContact OE1-CZ 2.68Å; E166-R208 IonicContact OE1-NE 2.69Å; E166-R208 PolarHBondContact OE1-NE 3.05Å; E166-R208 IonicContact OE1-NH1 3.34Å; E166-R208 IonicContact OE1-NH2 3.27Å; E166-R208 PolarHBondContact OE1-NH2 2.78Å; E166-R208 IonicContact OE2-CZ 3.04Å; E166-R208 IonicContact OE2-NE 2.9Å; E166-R208 PolarHBondContact OE2-NE 2.9Å; E166-R208 IonicContact OE2-NH2 2.92Å; E166-R208 PolarHBondContact OE2-NH2 2.8Å
167S96.4Very high93.7Very high54 Ų5472 Ų7238%0.37838%0.383SS..EExtended strand (participates in β ladder)trans-88.9129.6172.564.90000110.6L169 N197 E198S167-L169 PolarHBondContact O-N 2.95Å; S167-N197 CarbonylContact O-C 3.49Å; S167-N197 VanDerWaalsContact O-CA 3.24Å; S167-N197 WeakPolarHBondContact O-CA 3.35Å; S167-E198 PolarHBondContact N-O 2.85Å; S167-E198 PolarHBondContact O-N 2.92Å; S167-E198 PolarHBondContact OG-O 2.79Å
168N97.1Very high94.5Very high77 Ų7763.6 Ų63.641%0.41235%0.351SS..EExtended strand (participates in β ladder)trans-81.2117.6173.9-176.8-109.1000110I170 I196 N197N168-I170 PolarHBondContact ND2-O 3.48Å; N168-I170 PolarHBondContact OD1-O 2.98Å; N168-I196 PolarHBondContact ND2-O 2.99Å; N168-N197 PolarHBondContact ND2-OD1 3.43Å
169L97.3Very high95.1Very high72 Ų7261 Ų6138%0.37733%0.329SS..EExtended strand (participates in β ladder)trans-83.1-38.7177.8-60.2-176000111.8S167 I196 E198 T207 V270S167-L169 PolarHBondContact O-N 2.95Å; L169-I196 HydrophobicContact CD1-CG2 4.16Å; L169-I196 PolarHBondContact N-O 3.15Å; L169-E198 HydrophobicContact CD1-CB 3.95Å; L169-E198 HydrophobicContact CD2-CB 4.15Å; L169-E198 HydrophobicContact CG-CB 4.03Å; L169-T207 HydrophobicContact CD1-CG2 4.2Å; L169-V270 HydrophobicContact CB-CG1 4Å; L169-V270 HydrophobicContact CD1-CG1 3.96Å
170I98.1Very high95.5Very high17 Ų1756.2 Ų56.29%0.08731%0.305CS..EExtended strand (participates in β ladder)trans-154.8146.8177.2176.5154.2000110.6N168 I172 R195 I196 E266 V267 V270N168-I170 PolarHBondContact ND2-O 3.48Å; N168-I170 PolarHBondContact OD1-O 2.98Å; I170-I172 HydrophobicContact CD1-CG2 3.85Å; I170-I172 HydrophobicContact CG1-CG2 3.81Å; I170-R195 WeakPolarHBondContact O-CA 3.47Å; I170-I196 HydrophobicContact CG2-CB 3.71Å; I170-I196 HydrophobicContact CG2-CD1 3.63Å; I170-I196 HydrophobicContact CG2-CG1 3.73Å; I170-I196 PolarHBondContact O-N 2.87Å; I170-E266 HydrophobicContact CD1-CB 3.82Å; I170-E266 HydrophobicContact CD1-CG 3.34Å; I170-V267 HydrophobicContact CD1-CG2 3.6Å; I170-V267 HydrophobicContact CG1-CG2 4.1Å; I170-V267 HydrophobicContact CG2-CG2 4.41Å; I170-V270 HydrophobicContact CG2-CB 4.27Å; I170-V270 HydrophobicContact CG2-CG1 4.12Å; I170-V270 HydrophobicContact CG2-CG2 4.21Å
171Q98Very high95.7Very high102 Ų10260.8 Ų60.848%0.47731%0.314SS..EExtended strand (participates in β ladder)trans-135.5126.3169.8-176.6-178.1-83.400110.3T193 L194 R195Q171-T193 HydrophobicContact CG-CG2 3.58Å; Q171-L194 CarbonylContact C-O 3.49Å; Q171-L194 VanDerWaalsContact CA-O 3.29Å; Q171-L194 WeakPolarHBondContact CA-O 3.34Å; Q171-R195 HydrophobicContact CB-CG 4.21Å; Q171-R195 HydrophobicContact CG-CG 3.89Å; Q171-R195 VanDerWaalsContact OE1-CZ 3.23Å
172I98.4Very high96Very high11 Ų1165.3 Ų65.36%0.05634%0.336CS..EExtended strand (participates in β ladder)trans-132.3156.8177.467.2159.3000111.7I170 C174 T193 L194 I257 D263 I264 V267I170-I172 HydrophobicContact CD1-CG2 3.85Å; I170-I172 HydrophobicContact CG1-CG2 3.81Å; I172-C174 HydrophobicContact CD1-CB 4.18Å; I172-T193 WeakPolarHBondContact O-CA 2.96Å; I172-L194 HydrophobicContact CG1-CB 4.02Å; I172-L194 HydrophobicContact CG1-CD2 4.28Å; I172-L194 PolarHBondContact N-O 3.16Å; I172-L194 PolarHBondContact O-N 2.89Å; I172-I257 HydrophobicContact CD1-CD1 4.38Å; I172-D263 HydrophobicContact CB-CB 4.15Å; I172-D263 HydrophobicContact CD1-CB 4.17Å; I172-D263 HydrophobicContact CG2-CB 3.77Å; I172-I264 HydrophobicContact CD1-CD1 4.44Å; I172-V267 HydrophobicContact CD1-CG2 3.61Å; I172-V267 HydrophobicContact CG1-CG2 3.94Å; I172-V267 HydrophobicContact CG2-CG2 4.05Å
173S98.2Very high96.2Very high71 Ų7168.7 Ų68.750%0.49734%0.342SS..EExtended strand (participates in β ladder)trans-94.3126.2166.3-66.10000109.7Q214S173-Q214 PolarHBondContact OG-NE2 3.09Å
174C98.4Very high96.6Very high5 Ų570.2 Ų70.23%0.03436%0.363CS..EExtended strand (participates in β ladder)trans-145167.6-17861.80000111.2I172 S192 I257 L258I172-C174 HydrophobicContact CD1-CB 4.18Å; C174-S192 PolarHBondContact N-O 3.32Å; C174-S192 CarbonylContact O-C 3.52Å; C174-S192 WeakPolarHBondContact O-CA 3.21Å; C174-S192 PolarHBondContact O-N 2.8Å; C174-I257 HydrophobicContact CB-CB 4.25Å; C174-L258 CarbonylContact C-O 3.58Å; C174-L258 VanDerWaalsContact CA-O 3.29Å; C174-L258 WeakPolarHBondContact CA-O 3.38Å; C174-L258 WeakPolarHBondContact CB-O 3.32Å
175K98.3Very high97Very high42 Ų4267.4 Ų67.418%0.18335%0.354CS..EExtended strand (participates in β ladder)trans-100129.9167.4-171.8168.7179.3177.90109.4Y177 D188 Y191 I257 L258K175-Y177 HydrophobicContact CB-CE2 4.35Å; K175-Y177 HydrophobicContact CD-CE2 4.11Å; K175-Y177 WeakPolarHBondContact CD-OH 3.29Å; K175-Y177 VanDerWaalsContact CE-OH 3.25Å; K175-Y177 WeakPolarHBondContact CE-OH 3.24Å; K175-Y177 HydrophobicContact CG-CE2 3.88Å; K175-Y177 PolarHBondContact NZ-OH 2.69Å; K175-D188 WeakPolarHBondContact CE-OD1 3.35Å; K175-D188 WeakPolarHBondContact CE-OD2 3.44Å; K175-D188 IonicContact NZ-OD1 2.67Å; K175-D188 IonicContact NZ-OD2 3.19Å; K175-D188 PolarHBondContact NZ-OD2 2.75Å; K175-Y191 HydrophobicContact CB-CD1 4.39Å; K175-I257 CarbonylContact O-C 3.54Å; K175-I257 WeakPolarHBondContact O-CA 3.2Å; K175-L258 HydrophobicContact CB-CB 4.39Å; K175-L258 PolarHBondContact N-O 3.03Å; K175-L258 PolarHBondContact O-N 2.87Å
176L98.5Very high97.2Very high0 Ų065.4 Ų65.40%034%0.336CS..EExtended strand (participates in β ladder)trans-99.7132.9-177.4176.565.9000111V178 K189 G190 S192 I211 I220 C255 I257L176-V178 HydrophobicContact CD2-CG2 4.44Å; L176-V178 HydrophobicContact CG-CG2 4.38Å; L176-K189 HydrophobicContact CB-CB 4.22Å; L176-K189 HydrophobicContact CD2-CB 4.01Å; L176-K189 HydrophobicContact CD2-CG 4.22Å; L176-K189 HydrophobicContact CG-CB 4.08Å; L176-K189 HydrophobicContact CG-CG 4.34Å; L176-K189 PolarHBondContact O-N 2.92Å; L176-G190 PolarHBondContact N-O 3.09Å; L176-S192 WeakPolarHBondContact CB-OG 3.33Å; L176-I211 HydrophobicContact CD1-CD1 4.12Å; L176-I211 HydrophobicContact CD2-CG2 4.03Å; L176-I220 HydrophobicContact CD2-CB 4.13Å; L176-I220 HydrophobicContact CD2-CG2 3.68Å; L176-C255 HydrophobicContact CD1-CB 4.16Å; L176-I257 HydrophobicContact CD1-CG2 4.05Å
177Y98.5Very high97.3Very high54 Ų5466.7 Ų66.721%0.21234%0.344CS..EExtended strand (participates in β ladder)trans-120.9142.4167.4-59-93.1000109.7K175 L187 D188 C255 L256 L258K175-Y177 HydrophobicContact CB-CE2 4.35Å; K175-Y177 HydrophobicContact CD-CE2 4.11Å; K175-Y177 WeakPolarHBondContact CD-OH 3.29Å; K175-Y177 VanDerWaalsContact CE-OH 3.25Å; K175-Y177 WeakPolarHBondContact CE-OH 3.24Å; K175-Y177 HydrophobicContact CG-CE2 3.88Å; K175-Y177 PolarHBondContact NZ-OH 2.69Å; Y177-L187 VanDerWaalsContact CA-O 3.31Å; Y177-L187 WeakPolarHBondContact CA-O 3.44Å; Y177-D188 HydrophobicContact CD1-CB 4.12Å; Y177-D188 HydrophobicContact CE1-CB 3.96Å; Y177-C255 WeakPolarHBondContact O-CA 3.4Å; Y177-L256 PolarHBondContact N-O 2.84Å; Y177-L256 PolarHBondContact O-N 3.05Å; Y177-L258 HydrophobicContact CE2-CB 4.32Å
178V97.8Very high97.3Very high8 Ų868 Ų685%0.04835%0.347CS..EExtended strand (participates in β ladder)trans-122.7129.8175.4173.20000108.3L176 D180 L187 K189 L253L176-V178 HydrophobicContact CD2-CG2 4.44Å; L176-V178 HydrophobicContact CG-CG2 4.38Å; V178-D180 PolarHBondContact O-N 2.74Å; V178-L187 PolarHBondContact N-O 2.71Å; V178-L187 WeakPolarHBondContact O-CB 3.21Å; V178-L187 PolarHBondContact O-N 3.1Å; V178-K189 HydrophobicContact CB-CG 4.29Å; V178-K189 HydrophobicContact CG2-CG 3.8Å; V178-L253 HydrophobicContact CG1-CB 4.19Å; V178-L253 HydrophobicContact CG1-CD1 4.38Å; V178-L253 HydrophobicContact CG1-CD2 3.95Å; V178-L253 HydrophobicContact CG1-CG 4.4Å; V178-L253 HydrophobicContact CG2-CD1 4.33Å
179F98Very high97.3Very high74 Ų7468.3 Ų68.333%0.32535%0.345SS..EExtended strand (participates in β ladder)trans-76.5122.3177.8-170-107.6000110.5W186 T254F179-W186 HydrophobicContact CB-CD2 4.21Å; F179-W186 HydrophobicContact CB-CE3 3.87Å; F179-W186 HydrophobicContact CB-CH2 4.02Å; F179-W186 HydrophobicContact CB-CZ2 4.32Å; F179-W186 HydrophobicContact CB-CZ3 3.78Å; F179-W186 AromaticContact CD2-CD2 3.86Å; F179-W186 HydrophobicContact CD2-CD2 3.86Å; F179-W186 AromaticContact CD2-CE2 3.7Å; F179-W186 HydrophobicContact CD2-CE3 4.39Å; F179-W186 HydrophobicContact CD2-CG 4.11Å; F179-W186 HydrophobicContact CD2-CZ2 4.15Å; F179-W186 AromaticContact CD2-NE1 3.79Å; F179-T254 HydrophobicContact CB-CG2 4.22Å; F179-T254 PolarHBondContact N-O 3.05Å
180D96.2Very high97.3Very high32 Ų3266 Ų6617%0.17134%0.338CS..EExtended strand (participates in β ladder)trans-87110.6171.1-177.8-5.8000109.4V178 N182 N183 G184 T185 L187V178-D180 PolarHBondContact O-N 2.74Å; D180-N182 VanDerWaalsContact C-N 3.28Å; D180-N182 PolarHBondContact O-N 2.98Å; D180-N182 WeakPolarHBondContact OD1-CB 3.33Å; D180-N182 PolarHBondContact OD1-N 3.35Å; D180-N183 HydrophobicContact CB-CB 4.5Å; D180-N183 PolarHBondContact OD1-N 2.97Å; D180-N183 PolarHBondContact OD2-OD1 2.83Å; D180-G184 WeakPolarHBondContact O-CA 3.39Å; D180-G184 PolarHBondContact O-N 3.04Å; D180-T185 HydrophobicContact CB-CG2 4.34Å; D180-T185 PolarHBondContact N-O 3.38Å; D180-T185 PolarHBondContact O-N 2.9Å; D180-L187 HydrophobicContact CB-CD1 3.76Å; D180-L187 HydrophobicContact CB-CG 3.84Å
181R94.2Very high97.3Very high224 Ų22472.7 Ų72.785%0.84536%0.363SS*.THydrogen-bonded Turntrans-67.4-28.7-179.2-174.1176.5178.7-171.1-0.8112.6
182N94.3Very high97.3Very high150 Ų15067.8 Ų67.880%0.80234%0.341SS*.THydrogen-bonded Turntrans-74-42.1-176.3-59-39.7000110.7D180D180-N182 VanDerWaalsContact C-N 3.28Å; D180-N182 PolarHBondContact O-N 2.98Å; D180-N182 WeakPolarHBondContact OD1-CB 3.33Å; D180-N182 PolarHBondContact OD1-N 3.35Å
183N95.5Very high97.3Very high122 Ų12268.9 Ų68.965%0.65235%0.348SS*.THydrogen-bonded Turntrans-95.4-9.3-178-66.672.1000113.1D180 T185D180-N183 HydrophobicContact CB-CB 4.5Å; D180-N183 PolarHBondContact OD1-N 2.97Å; D180-N183 PolarHBondContact OD2-OD1 2.83Å; N183-T185 HydrophobicContact CB-CG2 3.82Å; N183-T185 PolarHBondContact O-N 3.1Å
184G96.8Very high97.3Very high51 Ų5165.5 Ų65.553%0.52632%0.324SS..THydrogen-bonded Turntrans64.128.8-178.200000113.3D180D180-G184 WeakPolarHBondContact O-CA 3.39Å; D180-G184 PolarHBondContact O-N 3.04Å
185T97.9Very high97.3Very high67 Ų6769.1 Ų69.141%0.41134%0.337SS..EExtended strand (participates in β ladder)trans-128.3157.5-171.3-166.30000112D180 N183 L187D180-T185 HydrophobicContact CB-CG2 4.34Å; D180-T185 PolarHBondContact N-O 3.38Å; D180-T185 PolarHBondContact O-N 2.9Å; N183-T185 HydrophobicContact CB-CG2 3.82Å; N183-T185 PolarHBondContact O-N 3.1Å; T185-L187 HydrophobicContact CG2-CD2 4.12Å
186W98Very high97.3Very high97 Ų9767.1 Ų67.137%0.36733%0.328SS..EExtended strand (participates in β ladder)trans-87.9117172.2-70.794.6000109.8F179 T254 L256F179-W186 HydrophobicContact CB-CD2 4.21Å; F179-W186 HydrophobicContact CB-CE3 3.87Å; F179-W186 HydrophobicContact CB-CH2 4.02Å; F179-W186 HydrophobicContact CB-CZ2 4.32Å; F179-W186 HydrophobicContact CB-CZ3 3.78Å; F179-W186 AromaticContact CD2-CD2 3.86Å; F179-W186 HydrophobicContact CD2-CD2 3.86Å; F179-W186 AromaticContact CD2-CE2 3.7Å; F179-W186 HydrophobicContact CD2-CE3 4.39Å; F179-W186 HydrophobicContact CD2-CG 4.11Å; F179-W186 HydrophobicContact CD2-CZ2 4.15Å; F179-W186 AromaticContact CD2-NE1 3.79Å; W186-T254 HydrophobicContact CH2-CG2 3.97Å; W186-L256 HydrophobicContact CE3-CB 4.02Å; W186-L256 HydrophobicContact CE3-CD2 4.47Å; W186-L256 HydrophobicContact CH2-CB 3.69Å; W186-L256 HydrophobicContact CH2-CD2 4.43Å; W186-L256 HydrophobicContact CZ3-CB 3.39Å; W186-L256 HydrophobicContact CZ3-CD2 4.42Å
187L97.4Very high97.3Very high70 Ų7067.3 Ų67.337%0.36633%0.329SS..EExtended strand (participates in β ladder)trans-84.6124.3172.5-61.7178.6000109.7Y177 V178 D180 T185 K189Y177-L187 VanDerWaalsContact CA-O 3.31Å; Y177-L187 WeakPolarHBondContact CA-O 3.44Å; V178-L187 PolarHBondContact N-O 2.71Å; V178-L187 WeakPolarHBondContact O-CB 3.21Å; V178-L187 PolarHBondContact O-N 3.1Å; D180-L187 HydrophobicContact CB-CD1 3.76Å; D180-L187 HydrophobicContact CB-CG 3.84Å; T185-L187 HydrophobicContact CG2-CD2 4.12Å; L187-K189 PolarHBondContact O-N 2.85Å
188D97.3Very high97.2Very high83 Ų8366.4 Ų66.444%0.44433%0.327SS..EExtended strand (participates in β ladder)trans-73.1119.6171.4-167.5-11.1000109.6K175 Y177 G190K175-D188 WeakPolarHBondContact CE-OD1 3.35Å; K175-D188 WeakPolarHBondContact CE-OD2 3.44Å; K175-D188 IonicContact NZ-OD1 2.67Å; K175-D188 IonicContact NZ-OD2 3.19Å; K175-D188 PolarHBondContact NZ-OD2 2.75Å; Y177-D188 HydrophobicContact CD1-CB 4.12Å; Y177-D188 HydrophobicContact CE1-CB 3.96Å; D188-G190 WeakPolarHBondContact OD1-CA 3.29Å; D188-G190 PolarHBondContact OD1-N 3.02Å
189K96.6Very high97.2Very high83 Ų8369.7 Ų69.736%0.36134%0.341SS..EExtended strand (participates in β ladder)trans-94.4-12.5174.8-64.5-63-174.4177.80112.2L176 V178 L187 L213L176-K189 HydrophobicContact CB-CB 4.22Å; L176-K189 HydrophobicContact CD2-CB 4.01Å; L176-K189 HydrophobicContact CD2-CG 4.22Å; L176-K189 HydrophobicContact CG-CB 4.08Å; L176-K189 HydrophobicContact CG-CG 4.34Å; L176-K189 PolarHBondContact O-N 2.92Å; V178-K189 HydrophobicContact CB-CG 4.29Å; V178-K189 HydrophobicContact CG2-CG 3.8Å; L187-K189 PolarHBondContact O-N 2.85Å; K189-L213 HydrophobicContact CB-CD2 4.37Å; K189-L213 WeakPolarHBondContact O-CD2 3.45Å
190G97.1Very high97Very high23 Ų2370.9 Ų70.924%0.23735%0.35CS..EExtended strand (participates in β ladder)trans99.9-177.1178.600000114.7L176 D188 S192L176-G190 PolarHBondContact N-O 3.09Å; D188-G190 WeakPolarHBondContact OD1-CA 3.29Å; D188-G190 PolarHBondContact OD1-N 3.02Å; G190-S192 PolarHBondContact O-OG 2.85Å; G190-S192 VanDerWaalsContact O-OG 3.1Å
191Y98.1Very high96.7Very high157 Ų15774.5 Ų74.562%0.61637%0.369SS*.EExtended strand (participates in β ladder)trans-66.7136.6175.4-70.6-82.2000110.5K175 Q214K175-Y191 HydrophobicContact CB-CD1 4.39Å; Y191-Q214 PolarHBondContact O-N 2.97Å
192S98.4Very high96.5Very high0 Ų067 Ų670%036%0.362CS..EExtended strand (participates in β ladder)trans-143.5154.6-165.9-55.30000111C174 L176 G190 R212 L213C174-S192 PolarHBondContact N-O 3.32Å; C174-S192 CarbonylContact O-C 3.52Å; C174-S192 WeakPolarHBondContact O-CA 3.21Å; C174-S192 PolarHBondContact O-N 2.8Å; L176-S192 WeakPolarHBondContact CB-OG 3.33Å; G190-S192 PolarHBondContact O-OG 2.85Å; G190-S192 VanDerWaalsContact O-OG 3.1Å; S192-R212 CarbonylContact C-O 3.59Å; S192-R212 VanDerWaalsContact CA-O 3.22Å; S192-R212 WeakPolarHBondContact CA-O 3.44Å; S192-R212 WeakPolarHBondContact CB-O 3.47Å; S192-L213 WeakPolarHBondContact OG-CD2 3.15Å
193T98.2Very high96.2Very high33 Ų3369.3 Ų69.320%0.20237%0.367CS..EExtended strand (participates in β ladder)trans-104.2121165.8-54.50000108Q171 I172 I211 R212Q171-T193 HydrophobicContact CG-CG2 3.58Å; I172-T193 WeakPolarHBondContact O-CA 2.96Å; T193-I211 WeakPolarHBondContact O-CA 3.02Å; T193-R212 PolarHBondContact N-O 3.38Å; T193-R212 PolarHBondContact O-N 2.88Å
194L98.4Very high95.9Very high1 Ų170.8 Ų70.81%0.00537%0.371CS..EExtended strand (participates in β ladder)trans-97.3134.5173.2178.5154.4000109Q171 I172 I196 I209 I211 F241 I257 V267Q171-L194 CarbonylContact C-O 3.49Å; Q171-L194 VanDerWaalsContact CA-O 3.29Å; Q171-L194 WeakPolarHBondContact CA-O 3.34Å; I172-L194 HydrophobicContact CG1-CB 4.02Å; I172-L194 HydrophobicContact CG1-CD2 4.28Å; I172-L194 PolarHBondContact N-O 3.16Å; I172-L194 PolarHBondContact O-N 2.89Å; L194-I196 HydrophobicContact CD2-CG1 4Å; L194-I209 HydrophobicContact CD1-CG2 4.41Å; L194-I209 HydrophobicContact CG-CG2 4.4Å; L194-I211 HydrophobicContact CB-CG1 4.18Å; L194-I211 HydrophobicContact CD1-CD1 3.89Å; L194-I211 HydrophobicContact CD1-CG1 4.15Å; L194-I211 HydrophobicContact CG-CD1 4.34Å; L194-I211 HydrophobicContact CG-CG1 4.04Å; L194-F241 HydrophobicContact CD1-CZ 4.22Å; L194-I257 HydrophobicContact CD1-CD1 3.76Å; L194-I257 HydrophobicContact CD1-CG2 4.14Å; L194-V267 HydrophobicContact CD2-CG1 4.26Å; L194-V267 HydrophobicContact CD2-CG2 4.09Å
195R98Very high95.7Very high80 Ų8074.7 Ų74.730%0.30237%0.373SS..EExtended strand (participates in β ladder)trans-125.3141.2172.1-69.9177.7178.4-179.2-6.5110.1E163 I170 Q171 V210E163-R195 IonicContact OE2-CZ 3.42Å; E163-R195 IonicContact OE2-NH1 3.58Å; E163-R195 PolarHBondContact OE2-NH1 3.36Å; I170-R195 WeakPolarHBondContact O-CA 3.47Å; Q171-R195 HydrophobicContact CB-CG 4.21Å; Q171-R195 HydrophobicContact CG-CG 3.89Å; Q171-R195 VanDerWaalsContact OE1-CZ 3.23Å; R195-V210 HydrophobicContact CB-CB 4.31Å; R195-V210 PolarHBondContact N-O 2.85Å; R195-V210 PolarHBondContact O-N 3.08Å
196I98.4Very high95.5Very high0 Ų073.3 Ų73.30%037%0.366CS..EExtended strand (participates in β ladder)trans-111.8120.1162.6-57177.6000106.5N168 L169 I170 L194 T207 R208 V267 V270 L271N168-I196 PolarHBondContact ND2-O 2.99Å; L169-I196 HydrophobicContact CD1-CG2 4.16Å; L169-I196 PolarHBondContact N-O 3.15Å; I170-I196 HydrophobicContact CG2-CB 3.71Å; I170-I196 HydrophobicContact CG2-CD1 3.63Å; I170-I196 HydrophobicContact CG2-CG1 3.73Å; I170-I196 PolarHBondContact O-N 2.87Å; L194-I196 HydrophobicContact CD2-CG1 4Å; I196-T207 HydrophobicContact CG2-CG2 3.51Å; I196-R208 WeakPolarHBondContact CA-O 3.46Å; I196-V267 HydrophobicContact CD1-CG1 4.14Å; I196-V270 HydrophobicContact CB-CG1 4.44Å; I196-V270 HydrophobicContact CD1-CB 4.31Å; I196-V270 HydrophobicContact CD1-CG1 3.93Å; I196-V270 HydrophobicContact CG2-CG1 4.15Å; I196-L271 HydrophobicContact CD1-CD1 4.27Å; I196-L271 HydrophobicContact CD1-CD2 3.52Å; I196-L271 HydrophobicContact CD1-CG 3.55Å; I196-L271 HydrophobicContact CG1-CD2 4.36Å
197N97.9Very high95.5Very high4 Ų469.3 Ų69.32%0.02135%0.352CS..EExtended strand (participates in β ladder)trans-115.3144.2-179.1-64.4-9.2000109.8E163 E166 S167 N168 T207 R208E163-N197 PolarHBondContact OE2-ND2 2.87Å; E166-N197 HydrophobicContact CB-CB 3.97Å; E166-N197 WeakPolarHBondContact OE2-CB 3.31Å; E166-N197 PolarHBondContact OE2-ND2 2.67Å; E166-N197 VanDerWaalsContact OE2-ND2 3.13Å; S167-N197 CarbonylContact O-C 3.49Å; S167-N197 VanDerWaalsContact O-CA 3.24Å; S167-N197 WeakPolarHBondContact O-CA 3.35Å; N168-N197 PolarHBondContact ND2-OD1 3.43Å; N197-T207 CarbonylContact O-C 3.48Å; N197-T207 VanDerWaalsContact O-CA 3.31Å; N197-T207 WeakPolarHBondContact O-CA 3.38Å; N197-T207 WeakPolarHBondContact O-CG2 3.47Å; N197-R208 HydrophobicContact CB-CG 4.39Å; N197-R208 PolarHBondContact N-O 3.37Å; N197-R208 PolarHBondContact O-N 2.93Å
198E97.4Very high95.5Very high35 Ų3568 Ų6816%0.16434%0.343CS..EExtended strand (participates in β ladder)trans-121.1124.3175.2177.6173.292.300110.1S167 L169 I200S167-E198 PolarHBondContact N-O 2.85Å; S167-E198 PolarHBondContact O-N 2.92Å; S167-E198 PolarHBondContact OG-O 2.79Å; L169-E198 HydrophobicContact CD1-CB 3.95Å; L169-E198 HydrophobicContact CD2-CB 4.15Å; L169-E198 HydrophobicContact CG-CB 4.03Å; E198-I200 HydrophobicContact CG-CG1 4.27Å
199K96Very high95.5Very high78 Ų7864.1 Ų64.134%0.33932%0.322SS..EExtended strand (participates in β ladder)trans-97.1133167.7-171.8178.4176.4-171.30109E166 D201 S206E166-K199 HydrophobicContact CG-CB 4.16Å; K199-D201 IonicContact NZ-OD2 3.98Å; K199-S206 PolarHBondContact N-O 2.94Å; K199-S206 PolarHBondContact O-N 3.44Å
200I94.4Very high95.6Very high99 Ų9960.3 Ų60.351%0.50831%0.305SS..EExtended strand (participates in β ladder)trans-111.4117.8172.4-55.8176.8000107.1E198 K205E198-I200 HydrophobicContact CG-CG1 4.27Å; I200-K205 HydrophobicContact CG1-CG 4.4Å
201D90.9Very high95.7Very high107 Ų10759.2 Ų59.257%0.57229%0.294SS*.EExtended strand (participates in β ladder)trans-121.490.3178.2-159.9-4.2000108.5K199 E203 E204K199-D201 IonicContact NZ-OD2 3.98Å; D201-E203 PolarHBondContact O-N 2.82Å; D201-E204 PolarHBondContact N-O 2.87Å; D201-E204 PolarHBondContact O-N 2.93Å; D201-E204 VanDerWaalsContact O-N 3.08Å
202G89.7Confident95.6Very high68 Ų6854.5 Ų54.570%0.70128%0.275SS*.THydrogen-bonded Turntrans64.7-118.2-169.800000112
203E87Confident95.6Very high197 Ų19756.3 Ų56.392%0.92129%0.285SS*.THydrogen-bonded Turntrans-88-14.5176.1-62.4-173.3166.700112.6D201D201-E203 PolarHBondContact O-N 2.82Å
204E89.5Confident95.4Very high154 Ų15458.9 Ų58.972%0.7230%0.295SS*.EExtended strand (participates in β ladder)trans-84.7127.7-178.5-66.1-172-168.500111.3D201D201-E204 PolarHBondContact N-O 2.87Å; D201-E204 PolarHBondContact O-N 2.93Å; D201-E204 VanDerWaalsContact O-N 3.08Å
205K92.3Very high95.2Very high133 Ų13362.9 Ų62.958%0.57834%0.336SS*.EExtended strand (participates in β ladder)trans-106.6130.5173.2-62.1-173.4-179.4-176.10110.2I200I200-K205 HydrophobicContact CG1-CG 4.4Å
206S94.6Very high95Very high37 Ų3764 Ų6426%0.25935%0.351SS..EExtended strand (participates in β ladder)trans-126.9108.6177178.70000110.5K199 K224K199-S206 PolarHBondContact N-O 2.94Å; K199-S206 PolarHBondContact O-N 3.44Å; S206-K224 VanDerWaalsContact OG-CE 3.29Å; S206-K224 WeakPolarHBondContact OG-CE 3.35Å
207T97.3Very high94.6Very high14 Ų1468.4 Ų68.49%0.08638%0.38CS..EExtended strand (participates in β ladder)trans-97.8141.4177.2-410000111.1L169 I196 N197 L225 A274L169-T207 HydrophobicContact CD1-CG2 4.2Å; I196-T207 HydrophobicContact CG2-CG2 3.51Å; N197-T207 CarbonylContact O-C 3.48Å; N197-T207 VanDerWaalsContact O-CA 3.31Å; N197-T207 WeakPolarHBondContact O-CA 3.38Å; N197-T207 WeakPolarHBondContact O-CG2 3.47Å; T207-L225 HydrophobicContact CG2-CD1 3.75Å; T207-L225 HydrophobicContact CG2-CG 4.36Å; T207-L225 PolarHBondContact O-N 2.73Å; T207-A274 HydrophobicContact CG2-CB 4.15Å
208R97.5Very high94.5Very high42 Ų4274.4 Ų74.416%0.15840%0.402CS..EExtended strand (participates in β ladder)trans-138.8153.7175.566.3172.4-179.9178.4-8.2113.2G162 E166 I196 N197 V210 N222 S223G162-R208 PolarHBondContact O-NH2 3.27Å; E166-R208 VanDerWaalsContact CD-CZ 3.49Å; E166-R208 VanDerWaalsContact CD-NE 3.26Å; E166-R208 IonicContact OE1-CZ 2.68Å; E166-R208 IonicContact OE1-NE 2.69Å; E166-R208 PolarHBondContact OE1-NE 3.05Å; E166-R208 IonicContact OE1-NH1 3.34Å; E166-R208 IonicContact OE1-NH2 3.27Å; E166-R208 PolarHBondContact OE1-NH2 2.78Å; E166-R208 IonicContact OE2-CZ 3.04Å; E166-R208 IonicContact OE2-NE 2.9Å; E166-R208 PolarHBondContact OE2-NE 2.9Å; E166-R208 IonicContact OE2-NH2 2.92Å; E166-R208 PolarHBondContact OE2-NH2 2.8Å; I196-R208 WeakPolarHBondContact CA-O 3.46Å; N197-R208 HydrophobicContact CB-CG 4.39Å; N197-R208 PolarHBondContact N-O 3.37Å; N197-R208 PolarHBondContact O-N 2.93Å; R208-V210 HydrophobicContact CG-CG2 4.11Å; R208-N222 PolarHBondContact NH1-OD1 2.73Å; R208-S223 CarbonylContact C-O 3.59Å; R208-S223 WeakPolarHBondContact CA-O 3.23Å; R208-S223 WeakPolarHBondContact CB-O 3.31Å
209I98.4Very high94.4Very high1 Ų175.1 Ų75.11%0.00541%0.407CS..EExtended strand (participates in β ladder)trans-96.8128.5170.1-56.4173.6000108.6L194 I211 V221 S223 L225 M229 F241 L271L194-I209 HydrophobicContact CD1-CG2 4.41Å; L194-I209 HydrophobicContact CG-CG2 4.4Å; I209-I211 HydrophobicContact CG2-CD1 4.25Å; I209-I211 HydrophobicContact CG2-CG1 4.02Å; I209-V221 HydrophobicContact CG2-CG1 4.29Å; I209-S223 PolarHBondContact N-O 2.92Å; I209-S223 PolarHBondContact O-N 2.82Å; I209-L225 HydrophobicContact CD1-CD2 3.89Å; I209-L225 HydrophobicContact CG1-CD2 3.86Å; I209-M229 HydrophobicContact CD1-CE 3.55Å; I209-F241 HydrophobicContact CD1-CD2 3.95Å; I209-F241 HydrophobicContact CD1-CE2 3.96Å; I209-F241 HydrophobicContact CG2-CE2 4.31Å; I209-L271 HydrophobicContact CD1-CD1 4.36Å; I209-L271 HydrophobicContact CD1-CD2 3.8Å; I209-L271 HydrophobicContact CG1-CD2 3.97Å
210V98.1Very high94.5Very high3 Ų372.2 Ų72.22%0.01840%0.395CS..EExtended strand (participates in β ladder)trans-123.1127.2176.2179.50000108.5E163 R195 R208 R212 L219 V221E163-V210 WeakPolarHBondContact OE1-CG1 3.36Å; R195-V210 HydrophobicContact CB-CB 4.31Å; R195-V210 PolarHBondContact N-O 2.85Å; R195-V210 PolarHBondContact O-N 3.08Å; R208-V210 HydrophobicContact CG-CG2 4.11Å; V210-R212 HydrophobicContact CG1-CG 4.47Å; V210-L219 HydrophobicContact CG1-CD1 3.57Å; V210-V221 WeakPolarHBondContact CA-O 3.22Å
211I98.2Very high94.6Very high0 Ų067.5 Ų67.50%037%0.371CS..EExtended strand (participates in β ladder)trans-128.7124.2176.2-51.9178.3000110.3L176 T193 L194 I209 I220 V221 F241 I257L176-I211 HydrophobicContact CD1-CD1 4.12Å; L176-I211 HydrophobicContact CD2-CG2 4.03Å; T193-I211 WeakPolarHBondContact O-CA 3.02Å; L194-I211 HydrophobicContact CB-CG1 4.18Å; L194-I211 HydrophobicContact CD1-CD1 3.89Å; L194-I211 HydrophobicContact CD1-CG1 4.15Å; L194-I211 HydrophobicContact CG-CD1 4.34Å; L194-I211 HydrophobicContact CG-CG1 4.04Å; I209-I211 HydrophobicContact CG2-CD1 4.25Å; I209-I211 HydrophobicContact CG2-CG1 4.02Å; I211-I220 PolarHBondContact O-N 2.99Å; I211-V221 HydrophobicContact CB-CB 3.92Å; I211-V221 HydrophobicContact CB-CG2 4.3Å; I211-V221 HydrophobicContact CD1-CB 4.06Å; I211-V221 HydrophobicContact CD1-CG1 4.47Å; I211-V221 HydrophobicContact CD1-CG2 3.97Å; I211-V221 HydrophobicContact CG1-CB 3.93Å; I211-V221 HydrophobicContact CG1-CG1 4.45Å; I211-V221 HydrophobicContact CG1-CG2 4.34Å; I211-V221 PolarHBondContact N-O 2.68Å; I211-V221 PolarHBondContact O-N 2.63Å; I211-F241 HydrophobicContact CD1-CE2 4.47Å; I211-F241 HydrophobicContact CD1-CZ 3.97Å; I211-I257 HydrophobicContact CD1-CG2 4.46Å
212R97.4Very high94.9Very high59 Ų5965.3 Ų65.322%0.22336%0.359CS..EExtended strand (participates in β ladder)trans-119.2142.6176.5-60.8-178.4-175.6-140.90.6110.6T161 E163 S192 T193 V210 R218 L219T161-R212 PolarHBondContact O-NH2 2.75Å; E163-R212 IonicContact OE1-CZ 3.99Å; E163-R212 IonicContact OE1-NE 2.96Å; E163-R212 PolarHBondContact OE1-NE 3.01Å; E163-R212 IonicContact OE1-NH2 3.99Å; E163-R212 PolarHBondContact OE1-NH2 3.18Å; S192-R212 CarbonylContact C-O 3.59Å; S192-R212 VanDerWaalsContact CA-O 3.22Å; S192-R212 WeakPolarHBondContact CA-O 3.44Å; S192-R212 WeakPolarHBondContact CB-O 3.47Å; T193-R212 PolarHBondContact N-O 3.38Å; T193-R212 PolarHBondContact O-N 2.88Å; V210-R212 HydrophobicContact CG1-CG 4.47Å; R212-R218 VanDerWaalsContact CA-O 3.31Å; R212-R218 WeakPolarHBondContact CA-O 3.36Å; R212-L219 HydrophobicContact CG-CD1 3.92Å
213L97.5Very high95.3Very high38 Ų3862 Ų6220%0.19933%0.325CS..EExtended strand (participates in β ladder)trans-69151.1174.7-61-176.8000111.6K189 S192 V216 P217 R218 I220K189-L213 HydrophobicContact CB-CD2 4.37Å; K189-L213 WeakPolarHBondContact O-CD2 3.45Å; S192-L213 WeakPolarHBondContact OG-CD2 3.15Å; L213-V216 WeakPolarHBondContact CB-O 3.36Å; L213-P217 WeakPolarHBondContact O-CA 3.45Å; L213-R218 PolarHBondContact N-O 2.81Å; L213-I220 HydrophobicContact CD1-CD1 4.04Å; L213-I220 HydrophobicContact CD1-CG1 4.29Å; L213-I220 HydrophobicContact CD2-CD1 4.49Å; L213-I220 HydrophobicContact CD2-CG1 3.88Å; L213-I220 HydrophobicContact CG-CD1 4.03Å; L213-I220 HydrophobicContact CG-CG1 3.73Å
214Q95.4Very high95.8Very high87 Ų8758.7 Ų58.741%0.40731%0.308SS..SBendtrans-82.7144.4173.2-68.7-174.4-23.200110.7S173 Y191 V216S173-Q214 PolarHBondContact OG-NE2 3.09Å; Y191-Q214 PolarHBondContact O-N 2.97Å; Q214-V216 PolarHBondContact O-N 3.44Å; Q214-V216 VanDerWaalsContact O-N 3.09Å
215G93.1Very high96.2Very high84 Ų8451.8 Ų51.887%0.86628%0.276SS*.SBendtrans83.1-47.4-17800000113.8
216V92.9Very high96.3Very high105 Ų10548.8 Ų48.864%0.63626%0.261SS*.SBendtrans-121.8104.3170.6-178.70000107.1L213 Q214 R218L213-V216 WeakPolarHBondContact CB-O 3.36Å; Q214-V216 PolarHBondContact O-N 3.44Å; Q214-V216 VanDerWaalsContact O-N 3.09Å; V216-R218 PolarHBondContact O-N 2.8Å
217P91.9Very high96.3Very high92 Ų9249.1 Ų49.160%0.59726%0.262SS*.  trans-7546.6-168.932.4-37.5000113.8L213L213-P217 WeakPolarHBondContact O-CA 3.45Å
218R94.7Very high96.2Very high129 Ų12955.1 Ų55.149%0.48729%0.289SS..  trans-65.4129.4173.1-174.1176.8-176.9172.70.7109.3R212 L213 V216 I220 E247R212-R218 VanDerWaalsContact CA-O 3.31Å; R212-R218 WeakPolarHBondContact CA-O 3.36Å; L213-R218 PolarHBondContact N-O 2.81Å; V216-R218 PolarHBondContact O-N 2.8Å; R218-I220 HydrophobicContact CG-CD1 4.06Å; R218-E247 IonicContact CZ-OE1 3.28Å; R218-E247 VanDerWaalsContact CZ-OE1 3.28Å; R218-E247 IonicContact CZ-OE2 3.67Å; R218-E247 IonicContact NE-OE1 2.75Å; R218-E247 PolarHBondContact NE-OE1 3.27Å; R218-E247 IonicContact NE-OE2 3.86Å; R218-E247 VanDerWaalsContact NH2-CD 3.25Å; R218-E247 IonicContact NH2-OE1 3.01Å; R218-E247 PolarHBondContact NH2-OE1 3.36Å; R218-E247 IonicContact NH2-OE2 2.68Å; R218-E247 PolarHBondContact NH2-OE2 2.87Å
219L96.4Very high96.1Very high51 Ų5153.4 Ų53.427%0.26728%0.283SS..EExtended strand (participates in β ladder)trans-77.9120.7176.8-175.365000109.4V210 R212 V221 N222 A246V210-L219 HydrophobicContact CG1-CD1 3.57Å; R212-L219 HydrophobicContact CG-CD1 3.92Å; L219-V221 WeakPolarHBondContact CD1-O 3.35Å; L219-N222 HydrophobicContact CD2-CB 4.06Å; L219-N222 HydrophobicContact CG-CB 4.44Å; L219-A246 HydrophobicContact CB-CB 4.27Å; L219-A246 HydrophobicContact CD2-CB 3.9Å; L219-A246 HydrophobicContact CG-CB 3.58Å
220I96.8Very high96Very high16 Ų1658.5 Ų58.58%0.08231%0.309CS..EExtended strand (participates in β ladder)trans-105.9-40.9-178.1-54.9-59.9000111.1L176 I211 L213 R218 N245 A246L176-I220 HydrophobicContact CD2-CB 4.13Å; L176-I220 HydrophobicContact CD2-CG2 3.68Å; I211-I220 PolarHBondContact O-N 2.99Å; L213-I220 HydrophobicContact CD1-CD1 4.04Å; L213-I220 HydrophobicContact CD1-CG1 4.29Å; L213-I220 HydrophobicContact CD2-CD1 4.49Å; L213-I220 HydrophobicContact CD2-CG1 3.88Å; L213-I220 HydrophobicContact CG-CD1 4.03Å; L213-I220 HydrophobicContact CG-CG1 3.73Å; R218-I220 HydrophobicContact CG-CD1 4.06Å; I220-N245 PolarHBondContact O-OD1 3.33Å; I220-A246 PolarHBondContact O-N 3.02Å; I220-A246 VanDerWaalsContact O-N 3.08Å
221V97.8Very high96Very high0 Ų058.8 Ų58.80%031%0.311CS..EExtended strand (participates in β ladder)trans-123.4131.3179.2175.60000108.8I209 V210 I211 L219 A243 L253I209-V221 HydrophobicContact CG2-CG1 4.29Å; V210-V221 WeakPolarHBondContact CA-O 3.22Å; I211-V221 HydrophobicContact CB-CB 3.92Å; I211-V221 HydrophobicContact CB-CG2 4.3Å; I211-V221 HydrophobicContact CD1-CB 4.06Å; I211-V221 HydrophobicContact CD1-CG1 4.47Å; I211-V221 HydrophobicContact CD1-CG2 3.97Å; I211-V221 HydrophobicContact CG1-CB 3.93Å; I211-V221 HydrophobicContact CG1-CG1 4.45Å; I211-V221 HydrophobicContact CG1-CG2 4.34Å; I211-V221 PolarHBondContact N-O 2.68Å; I211-V221 PolarHBondContact O-N 2.63Å; L219-V221 WeakPolarHBondContact CD1-O 3.35Å; V221-A243 HydrophobicContact CG1-CB 3.53Å; V221-L253 HydrophobicContact CG2-CD1 4.41Å
222N97.2Very high96Very high61 Ų6165 Ų6533%0.32633%0.334SS..EExtended strand (participates in β ladder)trans-141.587.2170.6-178.615000107.4R208 L219 T244 A246R208-N222 PolarHBondContact NH1-OD1 2.73Å; L219-N222 HydrophobicContact CD2-CB 4.06Å; L219-N222 HydrophobicContact CG-CB 4.44Å; N222-T244 PolarHBondContact N-O 3.25Å; N222-A246 HydrophobicContact CB-CB 3.96Å
223S97.7Very high96Very high0 Ų065.5 Ų65.50%035%0.346CS..EExtended strand (participates in β ladder)trans-125.3114.3-165.6-170.90000110.9R208 I209 W226 A243 T244R208-S223 CarbonylContact C-O 3.59Å; R208-S223 WeakPolarHBondContact CA-O 3.23Å; R208-S223 WeakPolarHBondContact CB-O 3.31Å; I209-S223 PolarHBondContact N-O 2.92Å; I209-S223 PolarHBondContact O-N 2.82Å; S223-W226 WeakPolarHBondContact OG-CZ3 3.42Å; S223-A243 WeakPolarHBondContact OG-CA 3.47Å; S223-T244 VanDerWaalsContact CB-N 3.33Å; S223-T244 PolarHBondContact OG-N 3.37Å
224K97.2Very high96Very high127 Ų12767.2 Ų67.255%0.55235%0.354SS*.EExtended strand (participates in β ladder)trans-63.2145.7165.3-170.7174.3174.9171.10109.1S206 W226S206-K224 VanDerWaalsContact OG-CE 3.29Å; S206-K224 WeakPolarHBondContact OG-CE 3.35Å; K224-W226 WeakPolarHBondContact O-CZ3 3.13Å
225L97.4Very high96.1Very high9 Ų966.3 Ų66.35%0.04737%0.368CS..  trans-73.6147.1171.1-58-173.5000110.3T207 I209 M229 L271 A274 L275 L278T207-L225 HydrophobicContact CG2-CD1 3.75Å; T207-L225 HydrophobicContact CG2-CG 4.36Å; T207-L225 PolarHBondContact O-N 2.73Å; I209-L225 HydrophobicContact CD1-CD2 3.89Å; I209-L225 HydrophobicContact CG1-CD2 3.86Å; L225-M229 HydrophobicContact CD2-CE 4.01Å; L225-M229 HydrophobicContact CD2-SD 3.53Å; L225-M229 VanDerWaalsContact CD2-SD 3.53Å; L225-L271 HydrophobicContact CD1-CD2 4.16Å; L225-L271 HydrophobicContact CD2-CD2 3.89Å; L225-A274 HydrophobicContact CD1-CB 3.61Å; L225-L275 HydrophobicContact CB-CD2 4.2Å; L225-L275 HydrophobicContact CD1-CD2 4.45Å; L225-L278 HydrophobicContact CB-CD2 4.23Å
226W95.3Very high96.3Very high69 Ų6966.3 Ų66.326%0.26136%0.355SS..  trans-130.8152.7172.961.692000110.5S223 K224 E228 M229 P242 I252 L275 L278S223-W226 WeakPolarHBondContact OG-CZ3 3.42Å; K224-W226 WeakPolarHBondContact O-CZ3 3.13Å; W226-E228 VanDerWaalsContact C-N 3.26Å; W226-E228 PolarHBondContact O-N 3.08Å; W226-E228 VanDerWaalsContact O-N 3.15Å; W226-M229 HydrophobicContact CD2-CB 4.01Å; W226-M229 HydrophobicContact CE3-SD 4.41Å; W226-M229 HydrophobicContact CG-CB 4.17Å; W226-M229 HydrophobicContact CH2-SD 4.31Å; W226-M229 HydrophobicContact CZ2-CB 4.22Å; W226-M229 HydrophobicContact CZ2-CG 4.23Å; W226-M229 HydrophobicContact CZ2-SD 4.48Å; W226-M229 HydrophobicContact CZ3-SD 4.29Å; W226-M229 WeakPolarHBondContact O-CB 3.41Å; W226-M229 PolarHBondContact O-N 2.97Å; W226-P242 HydrophobicContact CH2-CB 4.14Å; W226-P242 HydrophobicContact CH2-CG 4.16Å; W226-P242 HydrophobicContact CZ2-CB 3.93Å; W226-P242 HydrophobicContact CZ2-CG 3.67Å; W226-I252 HydrophobicContact CH2-CD1 4.4Å; W226-L275 WeakPolarHBondContact O-CD2 3.05Å; W226-L278 VanDerWaalsContact C-CD2 3.5Å
227P94.4Very high96.5Very high45 Ų4568 Ų6829%0.29235%0.35SS..THydrogen-bonded Turntrans-57.7-33.2-169.8-21.528.9000114.7M229 L278 K279P227-M229 VanDerWaalsContact C-N 3.31Å; P227-M229 PolarHBondContact O-N 2.87Å; P227-L278 HydrophobicContact CG-CD2 4.2Å; P227-L278 HydrophobicContact CG-CG 4.06Å; P227-K279 HydrophobicContact CB-CG 4.11Å; P227-K279 WeakPolarHBondContact O-CE 3.35Å
228E94.2Very high96.8Very high140 Ų14067.8 Ų67.865%0.65434%0.34SS*.THydrogen-bonded Turntrans-87.85-177.9-57.770.8-154.200113.3W226 I230W226-E228 VanDerWaalsContact C-N 3.26Å; W226-E228 PolarHBondContact O-N 3.08Å; W226-E228 VanDerWaalsContact O-N 3.15Å; E228-I230 PolarHBondContact O-N 2.79Å
229M96.6Very high97Very high6 Ų661.7 Ų61.73%0.0332%0.316CS..  trans-65.5124.3179.8179.3167.2171.100111I209 L225 W226 P227 V231 F241 P242 L275I209-M229 HydrophobicContact CD1-CE 3.55Å; L225-M229 HydrophobicContact CD2-CE 4.01Å; L225-M229 HydrophobicContact CD2-SD 3.53Å; L225-M229 VanDerWaalsContact CD2-SD 3.53Å; W226-M229 HydrophobicContact CD2-CB 4.01Å; W226-M229 HydrophobicContact CE3-SD 4.41Å; W226-M229 HydrophobicContact CG-CB 4.17Å; W226-M229 HydrophobicContact CH2-SD 4.31Å; W226-M229 HydrophobicContact CZ2-CB 4.22Å; W226-M229 HydrophobicContact CZ2-CG 4.23Å; W226-M229 HydrophobicContact CZ2-SD 4.48Å; W226-M229 HydrophobicContact CZ3-SD 4.29Å; W226-M229 WeakPolarHBondContact O-CB 3.41Å; W226-M229 PolarHBondContact O-N 2.97Å; P227-M229 VanDerWaalsContact C-N 3.31Å; P227-M229 PolarHBondContact O-N 2.87Å; M229-V231 HydrophobicContact CE-CG2 4.03Å; M229-V231 HydrophobicContact CG-CG2 4.41Å; M229-F241 HydrophobicContact CE-CB 3.89Å; M229-F241 HydrophobicContact CE-CD2 4.04Å; M229-F241 HydrophobicContact CE-CG 4.31Å; M229-P242 WeakPolarHBondContact CE-O 3.5Å; M229-P242 HydrophobicContact CG-CG 4.02Å; M229-L275 HydrophobicContact CB-CD1 4.49Å; M229-L275 HydrophobicContact CB-CD2 3.79Å; M229-L275 HydrophobicContact CG-CD2 4.4Å
230I96.3Very high97.1Very high108 Ų10860.6 Ų60.655%0.55431%0.31SS*.  trans-103.3113.1-179.3-53.3178.1000109.8E228 R232 P242E228-I230 PolarHBondContact O-N 2.79Å; I230-R232 HydrophobicContact CG2-CG 3.83Å; I230-P242 WeakPolarHBondContact O-CD 2.87Å
231V97.8Very high97.2Very high9 Ų959.9 Ų59.96%0.05531%0.306CS..  trans-100.9124.8173.6-1750000108.8M229 L239 F241 F268 L271 L275M229-V231 HydrophobicContact CE-CG2 4.03Å; M229-V231 HydrophobicContact CG-CG2 4.41Å; V231-L239 HydrophobicContact CG1-CD1 3.61Å; V231-L239 HydrophobicContact CG1-CD2 3.94Å; V231-L239 HydrophobicContact CG1-CG 3.81Å; V231-F241 HydrophobicContact CG1-CB 4.36Å; V231-F241 HydrophobicContact CG2-CB 4.13Å; V231-F268 HydrophobicContact CB-CD2 4.43Å; V231-F268 HydrophobicContact CB-CE2 4.38Å; V231-F268 HydrophobicContact CG1-CD2 3.74Å; V231-F268 HydrophobicContact CG1-CE2 4.1Å; V231-L271 HydrophobicContact CG1-CD1 3.98Å; V231-L271 HydrophobicContact CG2-CB 4.25Å; V231-L271 HydrophobicContact CG2-CD1 4.07Å; V231-L275 HydrophobicContact CG2-CD1 3.86Å
232R97.7Very high97.2Very high129 Ų12961.2 Ų61.249%0.48732%0.315SS..EExtended strand (participates in β ladder)trans-122.1115.3-175.4-64.2-163.6-67.9-122.1-0.7112.2I230 Q240I230-R232 HydrophobicContact CG2-CG 3.83Å; R232-Q240 HydrophobicContact CB-CB 4.46Å; R232-Q240 PolarHBondContact N-O 3.18Å; R232-Q240 PolarHBondContact O-N 3.37Å
233P97.6Very high97.3Very high71 Ų7158.3 Ų58.346%0.46130%0.3SS..EExtended strand (participates in β ladder)trans-71.9136170.829.8-31.2000109.7L239 F268P233-L239 HydrophobicContact CB-CD1 4.19Å; P233-F268 HydrophobicContact CG-CE1 4.27Å; P233-F268 HydrophobicContact CG-CE2 4.1Å; P233-F268 HydrophobicContact CG-CZ 3.94Å
234I97.5Very high97.3Very high74 Ų7460.1 Ų60.138%0.37931%0.311SS..EExtended strand (participates in β ladder)trans-122.191.2179.3-57.3177.8000108.3K238 Q240 L256I234-K238 HydrophobicContact CB-CB 4.04Å; I234-K238 HydrophobicContact CG2-CD 4.43Å; I234-K238 PolarHBondContact N-O 3Å; I234-K238 WeakPolarHBondContact O-CB 3.45Å; I234-Q240 HydrophobicContact CD1-CB 3.76Å; I234-Q240 HydrophobicContact CG1-CB 4.44Å; I234-L256 HydrophobicContact CD1-CD1 4.05Å
235G96.9Very high97.3Very high67 Ų6755.3 Ų55.369%0.69129%0.291SS*.THydrogen-bonded Turntrans64.1-160.1-168.700000111.5
236S97.1Very high97.2Very high85 Ų8555.9 Ų55.959%0.59430%0.297SS*.THydrogen-bonded Turntrans-84.5-16.1-172.656.80000114.9P261S236-P261 VanDerWaalsContact O-CA 3.24Å; S236-P261 WeakPolarHBondContact O-CA 3.5Å
237R98Very high97Very high139 Ų13956.2 Ų56.253%0.52530%0.301SS..THydrogen-bonded Turntrans-118.4-2.7-170.1-68.3-165.1-61.7154.5-1.7115L258 G259 P261R237-L258 HydrophobicContact CB-CD1 4Å; R237-L258 WeakPolarHBondContact O-CA 3.34Å; R237-G259 PolarHBondContact O-N 3.22Å; R237-P261 HydrophobicContact CG-CG 3.83Å
238K98.5Very high96.8Very high89 Ų8958.7 Ų58.739%0.38732%0.318SS..EExtended strand (participates in β ladder)trans-128.2143.7-173.5-56.5171.2-179.4179.70111.2I234 L256 I257 L258I234-K238 HydrophobicContact CB-CB 4.04Å; I234-K238 HydrophobicContact CG2-CD 4.43Å; I234-K238 PolarHBondContact N-O 3Å; I234-K238 WeakPolarHBondContact O-CB 3.45Å; K238-L256 HydrophobicContact CB-CD1 3.98Å; K238-I257 VanDerWaalsContact CA-O 3.23Å; K238-I257 WeakPolarHBondContact CA-O 3.39Å; K238-L258 HydrophobicContact CD-CD1 4.35Å; K238-L258 HydrophobicContact CG-CD1 3.53Å
239L98.7Very high96.7Very high0 Ų057 Ų570%032%0.318CS..EExtended strand (participates in β ladder)trans-135125.1175.2-169.567000109.2V231 P233 F241 L256 I257 I264 V267 F268 L271V231-L239 HydrophobicContact CG1-CD1 3.61Å; V231-L239 HydrophobicContact CG1-CD2 3.94Å; V231-L239 HydrophobicContact CG1-CG 3.81Å; P233-L239 HydrophobicContact CB-CD1 4.19Å; L239-F241 HydrophobicContact CD2-CD1 4.49Å; L239-F241 HydrophobicContact CG-CD1 4.34Å; L239-L256 WeakPolarHBondContact O-CA 3.13Å; L239-I257 HydrophobicContact CB-CD1 3.96Å; L239-I257 HydrophobicContact CB-CG1 3.67Å; L239-I257 HydrophobicContact CD2-CD1 4.14Å; L239-I257 PolarHBondContact N-O 3.33Å; L239-I257 VanDerWaalsContact N-O 3.1Å; L239-I257 PolarHBondContact O-N 2.97Å; L239-I264 HydrophobicContact CB-CD1 4.46Å; L239-I264 HydrophobicContact CB-CG2 4.11Å; L239-V267 HydrophobicContact CD2-CB 4.36Å; L239-V267 HydrophobicContact CD2-CG1 3.63Å; L239-F268 HydrophobicContact CD1-CB 4.08Å; L239-F268 HydrophobicContact CD1-CD2 3.71Å; L239-F268 HydrophobicContact CD1-CG 4.23Å; L239-F268 HydrophobicContact CD2-CB 4.39Å; L239-L271 HydrophobicContact CD2-CD1 4.17Å
240Q98.6Very high96.5Very high28 Ų2862.7 Ų62.713%0.13134%0.344CS..EExtended strand (participates in β ladder)trans-104.2136176.4-173.3-172.620.600109.9R232 I234 T254 C255 L256R232-Q240 HydrophobicContact CB-CB 4.46Å; R232-Q240 PolarHBondContact N-O 3.18Å; R232-Q240 PolarHBondContact O-N 3.37Å; I234-Q240 HydrophobicContact CD1-CB 3.76Å; I234-Q240 HydrophobicContact CG1-CB 4.44Å; Q240-T254 HydrophobicContact CG-CG2 4.35Å; Q240-T254 VanDerWaalsContact NE2-CG2 3.33Å; Q240-C255 VanDerWaalsContact CA-O 3.31Å; Q240-C255 WeakPolarHBondContact CA-O 3.47Å; Q240-C255 WeakPolarHBondContact CG-O 3.49Å; Q240-L256 HydrophobicContact CB-CD1 4.08Å
241F98.5Very high96.5Very high1 Ų162.5 Ų62.50%0.00434%0.34CS..EExtended strand (participates in β ladder)trans-156.5151.9176.156.3-89000111L194 I209 I211 M229 V231 L239 A243 C255 I257L194-F241 HydrophobicContact CD1-CZ 4.22Å; I209-F241 HydrophobicContact CD1-CD2 3.95Å; I209-F241 HydrophobicContact CD1-CE2 3.96Å; I209-F241 HydrophobicContact CG2-CE2 4.31Å; I211-F241 HydrophobicContact CD1-CE2 4.47Å; I211-F241 HydrophobicContact CD1-CZ 3.97Å; M229-F241 HydrophobicContact CE-CB 3.89Å; M229-F241 HydrophobicContact CE-CD2 4.04Å; M229-F241 HydrophobicContact CE-CG 4.31Å; V231-F241 HydrophobicContact CG1-CB 4.36Å; V231-F241 HydrophobicContact CG2-CB 4.13Å; L239-F241 HydrophobicContact CD2-CD1 4.49Å; L239-F241 HydrophobicContact CG-CD1 4.34Å; F241-A243 HydrophobicContact CD2-CB 4.09Å; F241-A243 HydrophobicContact CE2-CB 4.01Å; F241-C255 HydrophobicContact CD2-CB 4.1Å; F241-C255 HydrophobicContact CE1-CB 4.4Å; F241-C255 HydrophobicContact CE2-CB 3.74Å; F241-C255 HydrophobicContact CZ-CB 3.9Å; F241-C255 PolarHBondContact N-O 3.15Å; F241-C255 WeakPolarHBondContact O-CA 2.98Å; F241-C255 WeakPolarHBondContact O-CB 3.41Å; F241-C255 PolarHBondContact O-N 3.15Å; F241-I257 HydrophobicContact CE1-CD1 4.13Å; F241-I257 HydrophobicContact CE1-CG1 4.09Å; F241-I257 HydrophobicContact CE1-CG2 3.86Å; F241-I257 HydrophobicContact CZ-CG2 4.04Å
242P98.2Very high96.4Very high29 Ų2967 Ų6719%0.18836%0.363CS..EExtended strand (participates in β ladder)trans-78.6148.1168.533.5-34.1000110.7W226 M229 I230 I252 L253W226-P242 HydrophobicContact CH2-CB 4.14Å; W226-P242 HydrophobicContact CH2-CG 4.16Å; W226-P242 HydrophobicContact CZ2-CB 3.93Å; W226-P242 HydrophobicContact CZ2-CG 3.67Å; M229-P242 WeakPolarHBondContact CE-O 3.5Å; M229-P242 HydrophobicContact CG-CG 4.02Å; I230-P242 WeakPolarHBondContact O-CD 2.87Å; P242-I252 HydrophobicContact CB-CG2 4.08Å; P242-L253 CarbonylContact C-O 3.54Å; P242-L253 VanDerWaalsContact CA-O 3.26Å; P242-L253 WeakPolarHBondContact CA-O 3.26Å
243A98.1Very high96.4Very high0 Ų061.4 Ų61.40%034%0.343CS..EExtended strand (participates in β ladder)trans-155.3152.9176.700000112.3V221 S223 F241 L253V221-A243 HydrophobicContact CG1-CB 3.53Å; S223-A243 WeakPolarHBondContact OG-CA 3.47Å; F241-A243 HydrophobicContact CD2-CB 4.09Å; F241-A243 HydrophobicContact CE2-CB 4.01Å; A243-L253 PolarHBondContact N-O 3.01Å; A243-L253 WeakPolarHBondContact O-CA 3.41Å; A243-L253 WeakPolarHBondContact O-CB 3.47Å; A243-L253 PolarHBondContact O-N 3.14Å
244T97.8Very high96.4Very high38 Ų3860.5 Ų60.523%0.23334%0.336CS..EExtended strand (participates in β ladder)trans-74.9133174.2-48.90000111.5N222 S223 F250N222-T244 PolarHBondContact N-O 3.25Å; S223-T244 VanDerWaalsContact CB-N 3.33Å; S223-T244 PolarHBondContact OG-N 3.37Å; T244-F250 HydrophobicContact CG2-CB 4.46Å
245N97.1Very high96.4Very high26 Ų2657 Ų5714%0.13932%0.318CS..BIsolated β-bridgetrans-62136.1171.7-171.51.3000110.4I220 E247 F250 E251 L253I220-N245 PolarHBondContact O-OD1 3.33Å; N245-E247 VanDerWaalsContact C-N 3.32Å; N245-E247 VanDerWaalsContact CG-O 3.26Å; N245-E247 PolarHBondContact ND2-O 2.92Å; N245-E247 PolarHBondContact OD1-N 3.48Å; N245-E247 VanDerWaalsContact OD1-N 3.16Å; N245-F250 WeakPolarHBondContact O-CD1 3.31Å; N245-E251 HydrophobicContact CB-CG 4.17Å; N245-E251 WeakPolarHBondContact CB-O 3.25Å; N245-E251 PolarHBondContact N-O 3.15Å; N245-L253 HydrophobicContact CB-CD1 3.86Å; N245-L253 HydrophobicContact CB-CD2 4.09Å; N245-L253 HydrophobicContact CB-CG 3.88Å
246A96Very high96.5Very high21 Ų2154.8 Ų54.817%0.17429%0.29CS..SBendtrans-73.6-24.3177.300000113.6L219 I220 N222 F250L219-A246 HydrophobicContact CB-CB 4.27Å; L219-A246 HydrophobicContact CD2-CB 3.9Å; L219-A246 HydrophobicContact CG-CB 3.58Å; I220-A246 PolarHBondContact O-N 3.02Å; I220-A246 VanDerWaalsContact O-N 3.08Å; N222-A246 HydrophobicContact CB-CB 3.96Å; A246-F250 WeakPolarHBondContact O-CE1 3.39Å
247E91.2Very high96.6Very high75 Ų7550.7 Ų50.735%0.3526%0.262SS..SBendtrans-105.2147.8179.2-68.5179.2-171.400111R218 N245 F250R218-E247 IonicContact CZ-OE1 3.28Å; R218-E247 VanDerWaalsContact CZ-OE1 3.28Å; R218-E247 IonicContact CZ-OE2 3.67Å; R218-E247 IonicContact NE-OE1 2.75Å; R218-E247 PolarHBondContact NE-OE1 3.27Å; R218-E247 IonicContact NE-OE2 3.86Å; R218-E247 VanDerWaalsContact NH2-CD 3.25Å; R218-E247 IonicContact NH2-OE1 3.01Å; R218-E247 PolarHBondContact NH2-OE1 3.36Å; R218-E247 IonicContact NH2-OE2 2.68Å; R218-E247 PolarHBondContact NH2-OE2 2.87Å; N245-E247 VanDerWaalsContact C-N 3.32Å; N245-E247 VanDerWaalsContact CG-O 3.26Å; N245-E247 PolarHBondContact ND2-O 2.92Å; N245-E247 PolarHBondContact OD1-N 3.48Å; N245-E247 VanDerWaalsContact OD1-N 3.16Å; E247-F250 PolarHBondContact O-N 3.43Å
248P91.1Very high96.6Very high98 Ų9846.2 Ų46.264%0.63625%0.248SC*.THydrogen-bonded Turntrans-50.9133.6168.9-24.532.7000110.5F250P248-F250 VanDerWaalsContact CA-N 3.34Å; P248-F250 HydrophobicContact CB-CE2 4.29Å; P248-F250 HydrophobicContact CG-CD2 4.46Å; P248-F250 HydrophobicContact CG-CE1 4.27Å; P248-F250 HydrophobicContact CG-CE2 3.79Å; P248-F250 HydrophobicContact CG-CZ 3.68Å
249P92.1Very high96.6Very high103 Ų10342.7 Ų42.767%0.66924%0.237SC*.THydrogen-bonded Turncis-87.722.219.833.9-36.6000117.9E251P249-E251 PolarHBondContact O-N 3.42Å; P249-E251 VanDerWaalsContact O-N 3.09Å
250F92.7Very high96.6Very high127 Ų12749.6 Ų49.656%0.55727%0.267SS*.  trans52.332.5177-54.5-62.4000114.3T244 N245 A246 E247 P248T244-F250 HydrophobicContact CG2-CB 4.46Å; N245-F250 WeakPolarHBondContact O-CD1 3.31Å; A246-F250 WeakPolarHBondContact O-CE1 3.39Å; E247-F250 PolarHBondContact O-N 3.43Å; P248-F250 VanDerWaalsContact CA-N 3.34Å; P248-F250 HydrophobicContact CB-CE2 4.29Å; P248-F250 HydrophobicContact CG-CD2 4.46Å; P248-F250 HydrophobicContact CG-CE1 4.27Å; P248-F250 HydrophobicContact CG-CE2 3.79Å; P248-F250 HydrophobicContact CG-CZ 3.68Å
251E94.5Very high96.6Very high104 Ų10451.3 Ų51.349%0.48628%0.28SS..  trans-71.3162.4-178.763.2-179.9-177.600112.8N245 P249 L253N245-E251 HydrophobicContact CB-CG 4.17Å; N245-E251 WeakPolarHBondContact CB-O 3.25Å; N245-E251 PolarHBondContact N-O 3.15Å; P249-E251 PolarHBondContact O-N 3.42Å; P249-E251 VanDerWaalsContact O-N 3.09Å; E251-L253 HydrophobicContact CG-CD2 3.83Å; E251-L253 PolarHBondContact O-N 3.31Å
252I96.5Very high96.5Very high103 Ų10354.4 Ų54.453%0.52831%0.306SS..EExtended strand (participates in β ladder)trans-80.8110.6171.4-57.6-59000109.3W226 P242W226-I252 HydrophobicContact CH2-CD1 4.4Å; P242-I252 HydrophobicContact CB-CG2 4.08Å
253L97.3Very high96.5Very high12 Ų1255.1 Ų55.16%0.06331%0.308CS..EExtended strand (participates in β ladder)trans-81.4145.7173.8-54.8-179.1000110.5V178 V221 P242 A243 N245 E251V178-L253 HydrophobicContact CG1-CB 4.19Å; V178-L253 HydrophobicContact CG1-CD1 4.38Å; V178-L253 HydrophobicContact CG1-CD2 3.95Å; V178-L253 HydrophobicContact CG1-CG 4.4Å; V178-L253 HydrophobicContact CG2-CD1 4.33Å; V221-L253 HydrophobicContact CG2-CD1 4.41Å; P242-L253 CarbonylContact C-O 3.54Å; P242-L253 VanDerWaalsContact CA-O 3.26Å; P242-L253 WeakPolarHBondContact CA-O 3.26Å; A243-L253 PolarHBondContact N-O 3.01Å; A243-L253 WeakPolarHBondContact O-CA 3.41Å; A243-L253 WeakPolarHBondContact O-CB 3.47Å; A243-L253 PolarHBondContact O-N 3.14Å; N245-L253 HydrophobicContact CB-CD1 3.86Å; N245-L253 HydrophobicContact CB-CD2 4.09Å; N245-L253 HydrophobicContact CB-CG 3.88Å; E251-L253 HydrophobicContact CG-CD2 3.83Å; E251-L253 PolarHBondContact O-N 3.31Å
254T97.8Very high96.6Very high52 Ų5255.3 Ų55.332%0.31931%0.309SS..EExtended strand (participates in β ladder)trans-96.2106.7161.3-62.90000108.4F179 W186 Q240F179-T254 HydrophobicContact CB-CG2 4.22Å; F179-T254 PolarHBondContact N-O 3.05Å; W186-T254 HydrophobicContact CH2-CG2 3.97Å; Q240-T254 HydrophobicContact CG-CG2 4.35Å; Q240-T254 VanDerWaalsContact NE2-CG2 3.33Å
255C98.5Very high96.6Very high0 Ų060.3 Ų60.30%033%0.33CS..EExtended strand (participates in β ladder)trans-96.5147.9-176.2-62.10000111.6L176 Y177 Q240 F241L176-C255 HydrophobicContact CD1-CB 4.16Å; Y177-C255 WeakPolarHBondContact O-CA 3.4Å; Q240-C255 VanDerWaalsContact CA-O 3.31Å; Q240-C255 WeakPolarHBondContact CA-O 3.47Å; Q240-C255 WeakPolarHBondContact CG-O 3.49Å; F241-C255 HydrophobicContact CD2-CB 4.1Å; F241-C255 HydrophobicContact CE1-CB 4.4Å; F241-C255 HydrophobicContact CE2-CB 3.74Å; F241-C255 HydrophobicContact CZ-CB 3.9Å; F241-C255 PolarHBondContact N-O 3.15Å; F241-C255 WeakPolarHBondContact O-CA 2.98Å; F241-C255 WeakPolarHBondContact O-CB 3.41Å; F241-C255 PolarHBondContact O-N 3.15Å
256L98.6Very high96.6Very high20 Ų2062.5 Ų62.511%0.10534%0.339CS..EExtended strand (participates in β ladder)trans-134.9121.4169.2177.273.5000108.3Y177 W186 I234 K238 L239 Q240Y177-L256 PolarHBondContact N-O 2.84Å; Y177-L256 PolarHBondContact O-N 3.05Å; W186-L256 HydrophobicContact CE3-CB 4.02Å; W186-L256 HydrophobicContact CE3-CD2 4.47Å; W186-L256 HydrophobicContact CH2-CB 3.69Å; W186-L256 HydrophobicContact CH2-CD2 4.43Å; W186-L256 HydrophobicContact CZ3-CB 3.39Å; W186-L256 HydrophobicContact CZ3-CD2 4.42Å; I234-L256 HydrophobicContact CD1-CD1 4.05Å; K238-L256 HydrophobicContact CB-CD1 3.98Å; L239-L256 WeakPolarHBondContact O-CA 3.13Å; Q240-L256 HydrophobicContact CB-CD1 4.08Å
257I98.6Very high96.8Very high0 Ų061.5 Ų61.50%033%0.331CS..EExtended strand (participates in β ladder)trans-102.3145.3173.262.5173.2000110.2I172 C174 K175 L176 L194 I211 K238 L239 F241 I264 V267I172-I257 HydrophobicContact CD1-CD1 4.38Å; C174-I257 HydrophobicContact CB-CB 4.25Å; K175-I257 CarbonylContact O-C 3.54Å; K175-I257 WeakPolarHBondContact O-CA 3.2Å; L176-I257 HydrophobicContact CD1-CG2 4.05Å; L194-I257 HydrophobicContact CD1-CD1 3.76Å; L194-I257 HydrophobicContact CD1-CG2 4.14Å; I211-I257 HydrophobicContact CD1-CG2 4.46Å; K238-I257 VanDerWaalsContact CA-O 3.23Å; K238-I257 WeakPolarHBondContact CA-O 3.39Å; L239-I257 HydrophobicContact CB-CD1 3.96Å; L239-I257 HydrophobicContact CB-CG1 3.67Å; L239-I257 HydrophobicContact CD2-CD1 4.14Å; L239-I257 PolarHBondContact N-O 3.33Å; L239-I257 VanDerWaalsContact N-O 3.1Å; L239-I257 PolarHBondContact O-N 2.97Å; F241-I257 HydrophobicContact CE1-CD1 4.13Å; F241-I257 HydrophobicContact CE1-CG1 4.09Å; F241-I257 HydrophobicContact CE1-CG2 3.86Å; F241-I257 HydrophobicContact CZ-CG2 4.04Å; I257-I264 HydrophobicContact CD1-CD1 3.72Å; I257-I264 HydrophobicContact CG1-CD1 3.83Å; I257-V267 HydrophobicContact CD1-CG1 4.37Å
258L98.5Very high97.1Very high44 Ų4460.6 Ų60.623%0.2333%0.326CS..EExtended strand (participates in β ladder)trans-120.2126.8171.8-179.477.9000109C174 K175 Y177 R237 K238C174-L258 CarbonylContact C-O 3.58Å; C174-L258 VanDerWaalsContact CA-O 3.29Å; C174-L258 WeakPolarHBondContact CA-O 3.38Å; C174-L258 WeakPolarHBondContact CB-O 3.32Å; K175-L258 HydrophobicContact CB-CB 4.39Å; K175-L258 PolarHBondContact N-O 3.03Å; K175-L258 PolarHBondContact O-N 2.87Å; Y177-L258 HydrophobicContact CE2-CB 4.32Å; R237-L258 HydrophobicContact CB-CD1 4Å; R237-L258 WeakPolarHBondContact O-CA 3.34Å; K238-L258 HydrophobicContact CD-CD1 4.35Å; K238-L258 HydrophobicContact CG-CD1 3.53Å
259G98.1Very high97.4Very high15 Ų1561.4 Ų61.416%0.15532%0.316CS..  trans-150.8-169.4-175.700000113.9R237R237-G259 PolarHBondContact O-N 3.22Å
260K98.1Very high97.7Very high145 Ų14557.1 Ų57.163%0.6329%0.288SS*.  trans-68.9147.1170.6-62.7178.3-174.9168.50109.6A262 D263 I264K260-A262 PolarHBondContact O-N 3.38Å; K260-D263 HydrophobicContact CB-CB 4.17Å; K260-D263 PolarHBondContact O-N 3.36Å; K260-I264 WeakPolarHBondContact O-CG1 3.39Å; K260-I264 PolarHBondContact O-N 3.46Å
261P98.3Very high98Very high65 Ų6551.1 Ų51.142%0.42226%0.262SS..Hα-helixtrans-55.5-47.3-178-25.732.2000114.8S236 R237 D263 I264 E265S236-P261 VanDerWaalsContact O-CA 3.24Å; S236-P261 WeakPolarHBondContact O-CA 3.5Å; R237-P261 HydrophobicContact CG-CG 3.83Å; P261-D263 PolarHBondContact O-N 3.27Å; P261-I264 PolarHBondContact O-N 3.37Å; P261-E265 PolarHBondContact O-N 3.17Å
262A98.1Very high98.1Very high65 Ų6548.6 Ų48.654%0.53725%0.25SS..Hα-helixtrans-62-43178.900000112.3K260 I264 E265 E266K260-A262 PolarHBondContact O-N 3.38Å; A262-I264 VanDerWaalsContact C-N 3.33Å; A262-I264 PolarHBondContact O-N 3.3Å; A262-E265 PolarHBondContact O-N 3.37Å; A262-E266 WeakPolarHBondContact O-CB 3.17Å; A262-E266 PolarHBondContact O-N 3.15Å
263D98.3Very high98.1Very high44 Ų4447.2 Ų47.224%0.23524%0.244CC..Hα-helixtrans-61.7-41.6178.4-64.80.1000111.4I172 K260 P261 V267I172-D263 HydrophobicContact CB-CB 4.15Å; I172-D263 HydrophobicContact CD1-CB 4.17Å; I172-D263 HydrophobicContact CG2-CB 3.77Å; K260-D263 HydrophobicContact CB-CB 4.17Å; K260-D263 PolarHBondContact O-N 3.36Å; P261-D263 PolarHBondContact O-N 3.27Å; D263-V267 WeakPolarHBondContact O-CG2 3.03Å; D263-V267 PolarHBondContact O-N 3.31Å
264I98.6Very high98.1Very high4 Ų447.2 Ų47.22%0.02125%0.246CC..Hα-helixtrans-69.7-41.9-179.1-67.4-67.7000111.6I172 L239 I257 K260 P261 A262 E266 V267 F268I172-I264 HydrophobicContact CD1-CD1 4.44Å; L239-I264 HydrophobicContact CB-CD1 4.46Å; L239-I264 HydrophobicContact CB-CG2 4.11Å; I257-I264 HydrophobicContact CD1-CD1 3.72Å; I257-I264 HydrophobicContact CG1-CD1 3.83Å; K260-I264 WeakPolarHBondContact O-CG1 3.39Å; K260-I264 PolarHBondContact O-N 3.46Å; P261-I264 PolarHBondContact O-N 3.37Å; A262-I264 VanDerWaalsContact C-N 3.33Å; A262-I264 PolarHBondContact O-N 3.3Å; I264-E266 VanDerWaalsContact C-N 3.33Å; I264-V267 PolarHBondContact O-N 3.22Å; I264-F268 WeakPolarHBondContact O-CB 3.32Å; I264-F268 PolarHBondContact O-N 3.22Å
265E98.1Very high98Very high143 Ų14344.9 Ų44.967%0.66823%0.231SC*.Hα-helixtrans-61.5-43.7175.6-176.5171.6-166.300111.2P261 A262 F268 R269P261-E265 PolarHBondContact O-N 3.17Å; A262-E265 PolarHBondContact O-N 3.37Å; E265-F268 PolarHBondContact O-N 3.48Å; E265-R269 WeakPolarHBondContact O-CB 3.34Å; E265-R269 PolarHBondContact O-N 3.37Å
266E98.1Very high97.9Very high72 Ų7249.7 Ų49.734%0.33625%0.254SS..Hα-helixtrans-66.5-43.4178.7-175.468.817400112.2I170 A262 I264 F268 R269 V270I170-E266 HydrophobicContact CD1-CB 3.82Å; I170-E266 HydrophobicContact CD1-CG 3.34Å; A262-E266 WeakPolarHBondContact O-CB 3.17Å; A262-E266 PolarHBondContact O-N 3.15Å; I264-E266 VanDerWaalsContact C-N 3.33Å; E266-F268 VanDerWaalsContact C-N 3.31Å; E266-F268 PolarHBondContact O-N 3.38Å; E266-R269 WeakPolarHBondContact O-CB 3.43Å; E266-R269 PolarHBondContact O-N 3.28Å; E266-R269 IonicContact OE1-CZ 2.8Å; E266-R269 IonicContact OE1-NE 3.74Å; E266-R269 IonicContact OE1-NH2 2.64Å; E266-R269 PolarHBondContact OE1-NH2 3.34Å; E266-R269 IonicContact OE2-CZ 2.77Å; E266-R269 IonicContact OE2-NE 2.76Å; E266-R269 PolarHBondContact OE2-NE 2.94Å; E266-R269 IonicContact OE2-NH2 3.25Å; E266-R269 PolarHBondContact OE2-NH2 3.22Å; E266-V270 WeakPolarHBondContact O-CG2 3.41Å; E266-V270 PolarHBondContact O-N 3.23Å
267V98.6Very high97.6Very high0 Ų052.3 Ų52.30%027%0.274CS..Hα-helixtrans-59.6-43.7173.8168.90000111I170 I172 L194 I196 L239 I257 D263 I264 R269 V270 L271I170-V267 HydrophobicContact CD1-CG2 3.6Å; I170-V267 HydrophobicContact CG1-CG2 4.1Å; I170-V267 HydrophobicContact CG2-CG2 4.41Å; I172-V267 HydrophobicContact CD1-CG2 3.61Å; I172-V267 HydrophobicContact CG1-CG2 3.94Å; I172-V267 HydrophobicContact CG2-CG2 4.05Å; L194-V267 HydrophobicContact CD2-CG1 4.26Å; L194-V267 HydrophobicContact CD2-CG2 4.09Å; I196-V267 HydrophobicContact CD1-CG1 4.14Å; L239-V267 HydrophobicContact CD2-CB 4.36Å; L239-V267 HydrophobicContact CD2-CG1 3.63Å; I257-V267 HydrophobicContact CD1-CG1 4.37Å; D263-V267 WeakPolarHBondContact O-CG2 3.03Å; D263-V267 PolarHBondContact O-N 3.31Å; I264-V267 PolarHBondContact O-N 3.22Å; V267-R269 PolarHBondContact O-N 3.43Å; V267-V270 PolarHBondContact O-N 3.36Å; V267-L271 HydrophobicContact CG1-CD1 3.91Å; V267-L271 HydrophobicContact CG1-CG 4.46Å; V267-L271 WeakPolarHBondContact O-CB 3.34Å; V267-L271 WeakPolarHBondContact O-CG 3.05Å; V267-L271 PolarHBondContact O-N 3.37Å
268F98.4Very high97.4Very high56 Ų5654.3 Ų54.325%0.24628%0.284CS..Hα-helixtrans-60.8-45.6177179.8-115.9000111.6V231 P233 L239 I264 E265 E266 L271 Q272V231-F268 HydrophobicContact CB-CD2 4.43Å; V231-F268 HydrophobicContact CB-CE2 4.38Å; V231-F268 HydrophobicContact CG1-CD2 3.74Å; V231-F268 HydrophobicContact CG1-CE2 4.1Å; P233-F268 HydrophobicContact CG-CE1 4.27Å; P233-F268 HydrophobicContact CG-CE2 4.1Å; P233-F268 HydrophobicContact CG-CZ 3.94Å; L239-F268 HydrophobicContact CD1-CB 4.08Å; L239-F268 HydrophobicContact CD1-CD2 3.71Å; L239-F268 HydrophobicContact CD1-CG 4.23Å; L239-F268 HydrophobicContact CD2-CB 4.39Å; I264-F268 WeakPolarHBondContact O-CB 3.32Å; I264-F268 PolarHBondContact O-N 3.22Å; E265-F268 PolarHBondContact O-N 3.48Å; E266-F268 VanDerWaalsContact C-N 3.31Å; E266-F268 PolarHBondContact O-N 3.38Å; F268-L271 PolarHBondContact O-N 3.18Å; F268-Q272 HydrophobicContact CD1-CG 4.44Å; F268-Q272 HydrophobicContact CD2-CG 4.17Å; F268-Q272 HydrophobicContact CE1-CG 4.09Å; F268-Q272 HydrophobicContact CE2-CG 3.85Å; F268-Q272 HydrophobicContact CG-CG 4.49Å; F268-Q272 HydrophobicContact CZ-CG 3.8Å; F268-Q272 VanDerWaalsContact CZ-NE2 3.28Å; F268-Q272 WeakPolarHBondContact O-CG 3.28Å; F268-Q272 PolarHBondContact O-N 3.5Å
269R98.2Very high97.2Very high115 Ų11556.9 Ų56.943%0.43429%0.293SS..Hα-helixtrans-59.4-48.1177.4-171.2-171.367.672.9-3.7112.1E265 E266 V267 L271 Q272 N273E265-R269 WeakPolarHBondContact O-CB 3.34Å; E265-R269 PolarHBondContact O-N 3.37Å; E266-R269 WeakPolarHBondContact O-CB 3.43Å; E266-R269 PolarHBondContact O-N 3.28Å; E266-R269 IonicContact OE1-CZ 2.8Å; E266-R269 IonicContact OE1-NE 3.74Å; E266-R269 IonicContact OE1-NH2 2.64Å; E266-R269 PolarHBondContact OE1-NH2 3.34Å; E266-R269 IonicContact OE2-CZ 2.77Å; E266-R269 IonicContact OE2-NE 2.76Å; E266-R269 PolarHBondContact OE2-NE 2.94Å; E266-R269 IonicContact OE2-NH2 3.25Å; E266-R269 PolarHBondContact OE2-NH2 3.22Å; V267-R269 PolarHBondContact O-N 3.43Å; R269-L271 VanDerWaalsContact C-N 3.35Å; R269-L271 PolarHBondContact O-N 3.25Å; R269-Q272 PolarHBondContact O-N 2.95Å; R269-N273 PolarHBondContact NH1-ND2 2.82Å; R269-N273 VanDerWaalsContact O-CG 3.3Å; R269-N273 PolarHBondContact O-N 3.12Å; R269-N273 VanDerWaalsContact O-N 3.08Å; R269-N273 PolarHBondContact O-OD1 2.92Å
270V98Very high96.8Very high14 Ų1461.7 Ų61.79%0.08532%0.316CS..Hα-helixtrans-61.3-43.8178.4172.50000111.2L169 I170 I196 E266 V267 A274L169-V270 HydrophobicContact CB-CG1 4Å; L169-V270 HydrophobicContact CD1-CG1 3.96Å; I170-V270 HydrophobicContact CG2-CB 4.27Å; I170-V270 HydrophobicContact CG2-CG1 4.12Å; I170-V270 HydrophobicContact CG2-CG2 4.21Å; I196-V270 HydrophobicContact CB-CG1 4.44Å; I196-V270 HydrophobicContact CD1-CB 4.31Å; I196-V270 HydrophobicContact CD1-CG1 3.93Å; I196-V270 HydrophobicContact CG2-CG1 4.15Å; E266-V270 WeakPolarHBondContact O-CG2 3.41Å; E266-V270 PolarHBondContact O-N 3.23Å; V267-V270 PolarHBondContact O-N 3.36Å; V270-A274 WeakPolarHBondContact O-CB 3.43Å; V270-A274 PolarHBondContact O-N 3.13Å
271L98.1Very high96.2Very high1 Ų158 Ų581%0.00531%0.308CS..Hα-helixtrans-65.2-43.2178.3-72.4172.5000112.5I196 I209 L225 V231 L239 V267 F268 R269 A274 L275I196-L271 HydrophobicContact CD1-CD1 4.27Å; I196-L271 HydrophobicContact CD1-CD2 3.52Å; I196-L271 HydrophobicContact CD1-CG 3.55Å; I196-L271 HydrophobicContact CG1-CD2 4.36Å; I209-L271 HydrophobicContact CD1-CD1 4.36Å; I209-L271 HydrophobicContact CD1-CD2 3.8Å; I209-L271 HydrophobicContact CG1-CD2 3.97Å; L225-L271 HydrophobicContact CD1-CD2 4.16Å; L225-L271 HydrophobicContact CD2-CD2 3.89Å; V231-L271 HydrophobicContact CG1-CD1 3.98Å; V231-L271 HydrophobicContact CG2-CB 4.25Å; V231-L271 HydrophobicContact CG2-CD1 4.07Å; L239-L271 HydrophobicContact CD2-CD1 4.17Å; V267-L271 HydrophobicContact CG1-CD1 3.91Å; V267-L271 HydrophobicContact CG1-CG 4.46Å; V267-L271 WeakPolarHBondContact O-CB 3.34Å; V267-L271 WeakPolarHBondContact O-CG 3.05Å; V267-L271 PolarHBondContact O-N 3.37Å; F268-L271 PolarHBondContact O-N 3.18Å; R269-L271 VanDerWaalsContact C-N 3.35Å; R269-L271 PolarHBondContact O-N 3.25Å; L271-A274 PolarHBondContact O-N 3.48Å; L271-L275 WeakPolarHBondContact O-CB 3.24Å; L271-L275 WeakPolarHBondContact O-CG 3.46Å; L271-L275 PolarHBondContact O-N 3.09Å
272Q97.3Very high94.8Very high51 Ų5157 Ų5724%0.23831%0.309CS..Hα-helixtrans-60.8-47.9177.7-71.3-63.8-13.600111.2F268 R269 A274 L275 E276F268-Q272 HydrophobicContact CD1-CG 4.44Å; F268-Q272 HydrophobicContact CD2-CG 4.17Å; F268-Q272 HydrophobicContact CE1-CG 4.09Å; F268-Q272 HydrophobicContact CE2-CG 3.85Å; F268-Q272 HydrophobicContact CG-CG 4.49Å; F268-Q272 HydrophobicContact CZ-CG 3.8Å; F268-Q272 VanDerWaalsContact CZ-NE2 3.28Å; F268-Q272 WeakPolarHBondContact O-CG 3.28Å; F268-Q272 PolarHBondContact O-N 3.5Å; R269-Q272 PolarHBondContact O-N 2.95Å; Q272-A274 VanDerWaalsContact C-N 3.32Å; Q272-A274 PolarHBondContact O-N 3.48Å; Q272-L275 PolarHBondContact O-N 3.28Å; Q272-E276 WeakPolarHBondContact O-CB 3.15Å; Q272-E276 VanDerWaalsContact O-CG 3.32Å; Q272-E276 WeakPolarHBondContact O-CG 3.43Å; Q272-E276 PolarHBondContact O-N 3.22Å
273N96.6Very high93Very high73 Ų7357.5 Ų57.539%0.3931%0.306SS..Hα-helixtrans-59.5-41.7178-69.86.5000112.4R269 S277R269-N273 PolarHBondContact NH1-ND2 2.82Å; R269-N273 VanDerWaalsContact O-CG 3.3Å; R269-N273 PolarHBondContact O-N 3.12Å; R269-N273 VanDerWaalsContact O-N 3.08Å; R269-N273 PolarHBondContact O-OD1 2.92Å; N273-S277 WeakPolarHBondContact O-CB 3.49Å; N273-S277 PolarHBondContact O-N 2.8Å; N273-S277 PolarHBondContact O-OG 3.22Å
274A96.3Very high90.9Very high13 Ų1359 Ų5911%0.10732%0.32CS..Hα-helixtrans-67.6-40.3177.800000112T207 L225 V270 L271 Q272 S277 L278T207-A274 HydrophobicContact CG2-CB 4.15Å; L225-A274 HydrophobicContact CD1-CB 3.61Å; V270-A274 WeakPolarHBondContact O-CB 3.43Å; V270-A274 PolarHBondContact O-N 3.13Å; L271-A274 PolarHBondContact O-N 3.48Å; Q272-A274 VanDerWaalsContact C-N 3.32Å; Q272-A274 PolarHBondContact O-N 3.48Å; A274-S277 PolarHBondContact O-N 3.47Å; A274-L278 WeakPolarHBondContact O-CB 3.45Å; A274-L278 PolarHBondContact O-N 3.2Å
275L96.7Very high88.5Confident2 Ų265 Ų651%0.0135%0.35CS..Hα-helixtrans-69.1-37.7177.5-70.5170.4000112.6L225 W226 M229 V231 L271 Q272 L278 K279L225-L275 HydrophobicContact CB-CD2 4.2Å; L225-L275 HydrophobicContact CD1-CD2 4.45Å; W226-L275 WeakPolarHBondContact O-CD2 3.05Å; M229-L275 HydrophobicContact CB-CD1 4.49Å; M229-L275 HydrophobicContact CB-CD2 3.79Å; M229-L275 HydrophobicContact CG-CD2 4.4Å; V231-L275 HydrophobicContact CG2-CD1 3.86Å; L271-L275 WeakPolarHBondContact O-CB 3.24Å; L271-L275 WeakPolarHBondContact O-CG 3.46Å; L271-L275 PolarHBondContact O-N 3.09Å; Q272-L275 PolarHBondContact O-N 3.28Å; L275-L278 PolarHBondContact O-N 3.38Å; L275-K279 VanDerWaalsContact O-CG 3.29Å; L275-K279 WeakPolarHBondContact O-CG 3.47Å; L275-K279 PolarHBondContact O-N 3.07Å
276E95.5Very high85.8Confident102 Ų10262.8 Ų62.848%0.47735%0.35SS..Hα-helixtrans-62.4-45.9172.6-74171.7-173.500111.1Q272 L278 K279 N280Q272-E276 WeakPolarHBondContact O-CB 3.15Å; Q272-E276 VanDerWaalsContact O-CG 3.32Å; Q272-E276 WeakPolarHBondContact O-CG 3.43Å; Q272-E276 PolarHBondContact O-N 3.22Å; E276-L278 VanDerWaalsContact C-N 3.3Å; E276-L278 PolarHBondContact O-N 3.18Å; E276-K279 PolarHBondContact O-N 3.22Å; E276-N280 VanDerWaalsContact O-CG 3.26Å; E276-N280 PolarHBondContact O-N 3.19Å; E276-N280 VanDerWaalsContact O-N 3.11Å; E276-N280 PolarHBondContact O-ND2 3.41Å
277S93.9Very high83.4Confident75 Ų7566.4 Ų66.452%0.52437%0.367SS..Hα-helixtrans-59.8-41.3176.5-58.50000111.9N273 A274 N280 S281N273-S277 WeakPolarHBondContact O-CB 3.49Å; N273-S277 PolarHBondContact O-N 2.8Å; N273-S277 PolarHBondContact O-OG 3.22Å; A274-S277 PolarHBondContact O-N 3.47Å; S277-N280 PolarHBondContact O-N 3.1Å; S277-S281 PolarHBondContact O-N 2.96Å; S277-S281 VanDerWaalsContact O-N 3.16Å; S277-S281 PolarHBondContact O-OG 3.45Å
278L93.8Very high80.8Confident41 Ų4174 Ų7422%0.21540%0.403CS..Hα-helixtrans-68.6-35.9179.7-173.762.6000113.1L225 W226 P227 A274 L275 E276 S281 G282L225-L278 HydrophobicContact CB-CD2 4.23Å; W226-L278 VanDerWaalsContact C-CD2 3.5Å; P227-L278 HydrophobicContact CG-CD2 4.2Å; P227-L278 HydrophobicContact CG-CG 4.06Å; A274-L278 WeakPolarHBondContact O-CB 3.45Å; A274-L278 PolarHBondContact O-N 3.2Å; L275-L278 PolarHBondContact O-N 3.38Å; E276-L278 VanDerWaalsContact C-N 3.3Å; E276-L278 PolarHBondContact O-N 3.18Å; L278-S281 PolarHBondContact O-OG 3.44Å; L278-G282 PolarHBondContact O-N 3.42Å
279K93.7Very high78.1Confident98 Ų9877.7 Ų77.743%0.42643%0.425SS..Hα-helixtrans-64.7-44.9174.1-73.7168.3-176.4176.30111.1P227 L275 E276 S281 G282 T283P227-K279 HydrophobicContact CB-CG 4.11Å; P227-K279 WeakPolarHBondContact O-CE 3.35Å; L275-K279 VanDerWaalsContact O-CG 3.29Å; L275-K279 WeakPolarHBondContact O-CG 3.47Å; L275-K279 PolarHBondContact O-N 3.07Å; E276-K279 PolarHBondContact O-N 3.22Å; K279-S281 VanDerWaalsContact C-N 3.34Å; K279-S281 PolarHBondContact O-N 3.46Å; K279-G282 PolarHBondContact O-N 3.16Å; K279-G282 VanDerWaalsContact O-N 3.12Å; K279-T283 PolarHBondContact O-N 3.38Å; K279-T283 PolarHBondContact O-OG1 3.18Å
280N90.7Very high75.6Confident116 Ų11680.7 Ų80.762%0.6244%0.443SS*.Hα-helixtrans-64.6-36.4-179.2-64.5-20.3000112.5E276 S277 G282 T283E276-N280 VanDerWaalsContact O-CG 3.26Å; E276-N280 PolarHBondContact O-N 3.19Å; E276-N280 VanDerWaalsContact O-N 3.11Å; E276-N280 PolarHBondContact O-ND2 3.41Å; S277-N280 PolarHBondContact O-N 3.1Å; N280-G282 VanDerWaalsContact C-N 3.29Å; N280-G282 PolarHBondContact O-N 3.45Å; N280-T283 PolarHBondContact O-N 3.32Å
281S84Confident73.2Confident68 Ų6888.6 Ų88.648%0.47648%0.48SS..Hα-helixtrans-66.6-28.9174.654.40000113.6S277 L278 K279S277-S281 PolarHBondContact O-N 2.96Å; S277-S281 VanDerWaalsContact O-N 3.16Å; S277-S281 PolarHBondContact O-OG 3.45Å; L278-S281 PolarHBondContact O-OG 3.44Å; K279-S281 VanDerWaalsContact C-N 3.34Å; K279-S281 PolarHBondContact O-N 3.46Å
282G70.1Confident70.7Confident43 Ų4397.1 Ų97.144%0.44352%0.52SS..Hα-helixtrans-77.5-31.3179.100000113.6L278 K279 N280L278-G282 PolarHBondContact O-N 3.42Å; K279-G282 PolarHBondContact O-N 3.16Å; K279-G282 VanDerWaalsContact O-N 3.12Å; N280-G282 VanDerWaalsContact C-N 3.29Å; N280-G282 PolarHBondContact O-N 3.45Å
283T60.3Low68Low77 Ų77102.4 Ų102.447%0.47255%0.549SS..Hα-helixtrans-74.8-32.1-176.9-47.10000112.8K279 N280 I285 C286K279-T283 PolarHBondContact O-N 3.38Å; K279-T283 PolarHBondContact O-OG1 3.18Å; N280-T283 PolarHBondContact O-N 3.32Å; T283-I285 PolarHBondContact O-N 2.89Å; T283-I285 VanDerWaalsContact O-N 3.11Å; T283-C286 PolarHBondContact O-N 3.45Å
284S53.1Low65.4Low74 Ų74102.3 Ų102.352%0.51757%0.566SS.*THydrogen-bonded Turntrans-63.9-19.5-176.9-1630000114.4C286S284-C286 VanDerWaalsContact C-N 3.33Å
285I50Low62.9Low130 Ų130106 Ų10667%0.66760%0.597SS**THydrogen-bonded Turntrans-82.5-12.2-177.6-62.6173000112T283T283-I285 PolarHBondContact O-N 2.89Å; T283-I285 VanDerWaalsContact O-N 3.11Å
286C40.5Very low60.5Low98 Ų98115.6 Ų115.666%0.66264%0.638SS**THydrogen-bonded Turntrans-103.1-11.6-176-61.50000114.7T283 S284T283-C286 PolarHBondContact O-N 3.45Å; S284-C286 VanDerWaalsContact C-N 3.33Å
287E46.7Very low57.9Low148 Ų148122 Ų12269%0.69266%0.658SS**SBendtrans-96.7-15.4-174.8-66.3-173.9165.300114.1N289E287-N289 PolarHBondContact O-N 3.29Å
288E45.6Very low55.2Low160 Ų160128.3 Ų128.375%0.74868%0.676SS**THydrogen-bonded Turntrans-85.6-4.6-177.4-67.7-171.1161.700115.1
289N41.3Very low52.8Low132 Ų132132.9 Ų132.971%0.70671%0.705SS**THydrogen-bonded Turntrans-101.11.5-176.5-72.2-55.7000115.2E287E287-N289 PolarHBondContact O-N 3.29Å
290E46.3Very low50.3Low178 Ų178133.5 Ų133.583%0.83272%0.722SS**SBendtrans-103.1-11.9179.9-69.3-162.5156.100115
291E46Very low48.4Very low181 Ų181135.7 Ų135.785%0.84673%0.734SS**SBendtrans-95.7-12.4-177.3-91.7-172.6156.400116.2
292E46Very low46.5Very low180 Ų180139 Ų13984%0.84175%0.751SS**SBendtrans-91.8-9.5-174.9-145.1-179.8173.900115.3
293N42Very low45.6Very low161 Ų161140.5 Ų140.586%0.86177%0.767SS**SBendtrans-1033.8-178.8-80.4-45.3000115.5
294G40.5Very low44.9Very low72 Ų72144.1 Ų144.174%0.74278%0.783SS**SBendtrans-98.9-14.7-176.600000116.7
295A44.1Very low45Very low91 Ų91152.5 Ų152.575%0.75280%0.803SS**  trans-108.253.7-163.100000114.7
296K46.5Very low44.9Very low202 Ų202155.9 Ų155.988%0.87881%0.813SS**  trans-140.844.4173.4-82.8-172.6-178.2164.50114.9
297R40.8Very low45.8Very low238 Ų238163 Ų16390%0.89883%0.826SS**SBendtrans-150.483.1166.1-69.7-169.7179146.60.9112.4
298K38.4Very low46.3Very low207 Ų207167.9 Ų167.990%0.984%0.838SS**  trans166102.2148.1-97164.1178.5-179.40110.8
299T43.5Very low46.6Very low136 Ų136170 Ų17083%0.83485%0.845SS**  trans-168.1103.9148.340.90000106.7
300S39.9Very low47.2Very low112 Ų112176.6 Ų176.678%0.78387%0.872SS**  63.4106.7113.9680000115
301D50.7Low47.3Very low162 Ų162176.6 Ų176.687%0.86687%0.874SS**  trans-150.7135.2132.9-152.72.5000112.7
302V45.2Very low47.3Very low137 Ų137176.3 Ų176.383%0.8388%0.875SS**  trans-88.3114.3-177.6165.10000107.1
303G49.7Very low47.4Very low75 Ų75176.1 Ų176.177%0.77388%0.877SS**  trans-138.974.9-172.200000113.9R305G303-R305 PolarHBondContact O-N 3.27Å
304N46.3Very low47.7Very low153 Ų153177 Ų17782%0.81888%0.878SS**  trans-40.6123.3171.1-161.313.6000114
305R54.4Low48.2Very low250 Ų250183.6 Ų183.694%0.94389%0.887SS**  trans-158.9107.2152.3-115.4168.6-167.5168.74.6114.4G303G303-R305 PolarHBondContact O-N 3.27Å
306K49.4Very low48.4Very low201 Ų201189.7 Ų189.787%0.87490%0.895SS**  trans-75.5121.2173.9-163179.2-167.71750110.6
307R59.3Low48.6Very low247 Ų247188.9 Ų188.993%0.93290%0.897SS**  trans-148.691.1159.5-86.6-170.5159.7178.6-7.2107.4
308R56.1Low49.2Very low250 Ų250185.1 Ų185.194%0.94390%0.897SS**  72.2111.491.7-146.5178.5-174.5167.20.3112.1
309K51.8Low50.1Low205 Ų205183.3 Ų183.389%0.89190%0.896SS**  trans-48.6139.6172.1-87.8175.2162.9179.90113
310E54.6Low50.7Low271 Ų271187.5 Ų187.5100%1.26690%0.902SS**  -1370122.2-110.2171.9178.700107.7

Retrieved 310 of 310 residues in 124.4 ms (Link to these results)