A0A077ZEC8_TRITR Loading...

Growth factor receptor bound protein 14

AlphaFold DB , UniProt , Accession A0A077ZEC8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 253 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
1M48Very low45.3Very low240 Ų240156.6 Ų156.6100%1.18285%0.853SS**  0136.30-76.8-168.8168.200107.7
2L49.7Very low45.5Very low182 Ų182158 Ų15895%0.95384%0.844SS**  trans7288.8-174.4-60.4170.5000116.7
3R38.5Very low45.3Very low233 Ų233154.4 Ų154.488%0.87984%0.839SS**  trans-78.2141.5156.9-82.4-180173-158.1-1.8109.2
4S49.3Very low44.9Very low123 Ų123155.1 Ų155.186%0.8684%0.842SS**  trans-140.5111.9153.850.10000108.9
5T44.7Very low44.3Very low112 Ų112149.1 Ų149.169%0.68783%0.83SS**  trans-110.6126177.144.20000108.6
6L44.3Very low43.5Very low166 Ų166147.5 Ų147.587%0.86983%0.826SS**  trans-15393.3160.2-87167000105.7
7T48.1Very low42.9Very low115 Ų115144.5 Ų144.571%0.70682%0.824SS**  64.998.988.961.40000114.3
8E42.4Very low42.4Very low186 Ų186142.7 Ų142.787%0.86981%0.811SS**  trans-69.7153.2157.1-73-100.114100110.8
9P50.3Low42Very low117 Ų117144.8 Ų144.876%0.7681%0.813SS**  trans-132.3128.8140.634.1-20.4000113.7
10E42Very low41.5Very low169 Ų169147.1 Ų147.179%0.7981%0.808SS**  trans-7.3120.4141.7-69.4-88.113400116.8
11G41.5Very low41.2Very low80 Ų80148.4 Ų148.483%0.82581%0.813SS**  trans-129.396.3168.600000111.4
12K47.8Very low40.5Very low173 Ų173141 Ų14175%0.75280%0.798SS**  trans-63.6153179.1-75.4166.9177.6168.10113.9
13S42.1Very low39.9Very low111 Ų111141 Ų14178%0.77679%0.79SS**  trans-36.3126.2166.258.60000115.9
14N40.3Very low39.4Very low165 Ų165137.3 Ų137.388%0.88279%0.787SS**  trans-127.7111.8150.6-69.2-39.6000104.8
15G35.8Very low38.7Very low64 Ų64140.2 Ų140.266%0.6678%0.784SS**  90.379.458.500000108.5A17G15-A17 PolarHBondContact O-N 3.3Å
16T32.1Very low38.5Very low124 Ų124138.3 Ų138.376%0.76178%0.78SS**  trans34.177.515023.20000116.8L18T16-L18 PolarHBondContact O-N 3.05Å
17A31.8Very low38.4Very low96 Ų96136.8 Ų136.879%0.79377%0.771SS**  trans-73.893.7157.700000109.5G15G15-A17 PolarHBondContact O-N 3.3Å
18L35.3Very low37.8Very low112 Ų112139 Ų13959%0.58678%0.778SS**  trans75.173.2143.6-61.1164.8000117.2T16 R20T16-L18 PolarHBondContact O-N 3.05Å; L18-R20 HydrophobicContact CB-CB 4.41Å; L18-R20 HydrophobicContact CD2-CB 4.03Å; L18-R20 HydrophobicContact CD2-CG 3.85Å; L18-R20 PolarHBondContact O-N 2.62Å
19Q34.8Very low37.5Very low184 Ų184137.5 Ų137.586%0.8678%0.775SS**  trans-5145135.3-74.8169.2-40.400113.9
20R31.9Very low36.7Very low190 Ų190138.2 Ų138.272%0.71777%0.772SS**  trans-137.485.7179.9-66.1-170-173.9140.5-4.8109.2L18L18-R20 HydrophobicContact CB-CB 4.41Å; L18-R20 HydrophobicContact CD2-CB 4.03Å; L18-R20 HydrophobicContact CD2-CG 3.85Å; L18-R20 PolarHBondContact O-N 2.62Å
21I35.3Very low36.4Very low175 Ų175139 Ų13990%0.89777%0.773SS**  trans-173.548.9134.4-74.6138.2000106.5K23I21-K23 VanDerWaalsContact C-N 3.35Å
22G32.2Very low36.2Very low85 Ų85140.4 Ų140.488%0.87677%0.771SS**  trans-102.148.2164.600000109.6
23K38.2Very low35.6Very low181 Ų181137.6 Ų137.679%0.78777%0.773SS**  trans-126.2113.4-173-110.3-178.6178.5-179.30110.2I21I21-K23 VanDerWaalsContact C-N 3.35Å
24L27.6Very low35.4Very low156 Ų156137 Ų13782%0.81778%0.775SS**SBendtrans79.779.2144.3-62.1153.4000117.8
25K34.4Very low35.1Very low184 Ų184138.6 Ų138.680%0.877%0.774SS**  trans-16531.9133.2-124.5179-177.8-179.80116.4I27K25-I27 PolarHBondContact O-N 2.97Å
26A39.9Very low35.1Very low72 Ų72143.9 Ų143.960%0.59579%0.785SS**  trans-83.9104.4157.900000107.3L28 F218A26-L28 VanDerWaalsContact C-N 3.26Å; A26-L28 PolarHBondContact O-N 2.81Å; A26-F218 HydrophobicContact CB-CE2 4.4Å
27I43.1Very low35Very low133 Ų133141.4 Ų141.468%0.68278%0.784SS**  trans-67.791.8171.4-64.6174.1000107K25 L29K25-I27 PolarHBondContact O-N 2.97Å; I27-L29 VanDerWaalsContact C-N 3.28Å; I27-L29 HydrophobicContact CG2-CB 4.4Å; I27-L29 HydrophobicContact CG2-CD1 3.68Å; I27-L29 HydrophobicContact CG2-CG 3.67Å; I27-L29 PolarHBondContact O-N 3.15Å; I27-L29 VanDerWaalsContact O-N 3.08Å
28L36.3Very low34.9Very low161 Ų161141.9 Ų141.984%0.84379%0.788SS**  trans-7879.7170.6-157.393.7000108A26 N30A26-L28 VanDerWaalsContact C-N 3.26Å; A26-L28 PolarHBondContact O-N 2.81Å; L28-N30 PolarHBondContact O-N 3.34Å
29L35.5Very low35.2Very low156 Ų156141.3 Ų141.382%0.81780%0.8SS**  trans-83.492.9168-84.2163.9000108.3I27I27-L29 VanDerWaalsContact C-N 3.28Å; I27-L29 HydrophobicContact CG2-CB 4.4Å; I27-L29 HydrophobicContact CG2-CD1 3.68Å; I27-L29 HydrophobicContact CG2-CG 3.67Å; I27-L29 PolarHBondContact O-N 3.15Å; I27-L29 VanDerWaalsContact O-N 3.08Å
30N32.2Very low35.2Very low132 Ų132138.8 Ų138.871%0.70680%0.797SS**  trans-141.5128.7164.5-144.5-3.3000111.9L28L28-N30 PolarHBondContact O-N 3.34Å
31K37.3Very low35.6Very low184 Ų184132.5 Ų132.580%0.879%0.791SS**  trans74.9109.7166.8-53.3-176.2-179.9-177.40117.9
32S36.6Very low36Very low111 Ų111128 Ų12878%0.77677%0.769SS**  162.9142.788.8-153.80000111.2
33S36.1Very low36.5Very low114 Ų114125.3 Ų125.380%0.79774%0.741SS**  trans59.5108.2162.8-69.20000119.9
34A37.3Very low37.2Very low99 Ų99123.6 Ų123.682%0.81874%0.739SS**  169.3124.5105.900000109.6
35K33.9Very low38Very low198 Ų198119.4 Ų119.486%0.86172%0.717SS**  trans-51.6142.9162.7-73.3165.2172.9172.40109
36I35.3Very low38.5Very low174 Ų174114.2 Ų114.289%0.89270%0.698SS**  trans165.2131.7132.3-68.7138.2000106.5
37G29.9Very low38.8Very low73 Ų73119 Ų11975%0.75370%0.701SS**  trans102.5108.9145.400000117.7
38A30.7Very low39Very low106 Ų106117.3 Ų117.388%0.87669%0.692SS**  trans-49.6145168.600000115.5
39A40.5Very low39.7Very low100 Ų100116 Ų11683%0.82668%0.68SS**  168.6116.7126.100000109.8G41A39-G41 PolarHBondContact O-N 2.96Å
40T36Very low40.3Very low131 Ų131118.3 Ų118.380%0.80468%0.678SS**  trans-57.9115.6-176.3-41.80000111.9
41G40.3Very low40.6Very low57 Ų57114.9 Ų114.959%0.58867%0.674SS**  trans-117.464.2177.900000111.9A39 G43 K192A39-G41 PolarHBondContact O-N 2.96Å; G41-G43 PolarHBondContact O-N 2.7Å; G41-K192 PolarHBondContact O-NZ 3.28Å
42D42.1Very low41.2Very low82 Ų82115.4 Ų115.444%0.43967%0.671SS.*  trans-50.3121175.1-76-11.3000110.8R47 K192D42-R47 IonicContact OD2-CZ 3.26Å; D42-R47 IonicContact OD2-NE 2.75Å; D42-R47 IonicContact OD2-NH2 3.09Å; D42-R47 PolarHBondContact OD2-NH2 2.79Å; D42-K192 PolarHBondContact O-NZ 2.88Å
43G44.4Very low41.2Very low27 Ų27116.9 Ų116.928%0.27867%0.67SS.*  trans-81.7143.1167.900000110.2G41 L45 D46G41-G43 PolarHBondContact O-N 2.7Å; G43-L45 PolarHBondContact O-N 3.27Å; G43-D46 PolarHBondContact O-N 3.02Å
44I51.3Low41.3Very low146 Ų146120.5 Ų120.575%0.74967%0.674SS**Hα-helixtrans-52-29177.6-66.9165.6000112.2
45L44.9Very low41.3Very low68 Ų68126.9 Ų126.936%0.35668%0.677SS.*Hα-helixtrans-70.9-36.7174.4-79.7164000113.5G43 R47 L48 F49 W188G43-L45 PolarHBondContact O-N 3.27Å; L45-R47 VanDerWaalsContact C-N 3.31Å; L45-R47 PolarHBondContact O-N 3.26Å; L45-L48 PolarHBondContact O-N 3Å; L45-L48 VanDerWaalsContact O-N 3.16Å; L45-F49 HydrophobicContact CB-CE2 4.41Å; L45-F49 HydrophobicContact CD2-CE2 4.07Å; L45-F49 WeakPolarHBondContact O-CD2 3.3Å; L45-F49 PolarHBondContact O-N 3.23Å; L45-W188 HydrophobicContact CD1-CE3 4.48Å; L45-W188 HydrophobicContact CD1-CH2 4.07Å; L45-W188 HydrophobicContact CD1-CZ2 4.41Å; L45-W188 HydrophobicContact CD1-CZ3 4.09Å
46D44.5Very low41.5Very low74 Ų74129.2 Ų129.240%0.39668%0.68SS.*Hα-helixtrans-67.9-33.3-178.5-151.264.6000111.7G43 F49 R50G43-D46 PolarHBondContact O-N 3.02Å; D46-F49 PolarHBondContact O-N 2.91Å; D46-R50 PolarHBondContact O-N 3.33Å; D46-R50 IonicContact OD2-CZ 3.94Å; D46-R50 IonicContact OD2-NE 3.85Å; D46-R50 PolarHBondContact OD2-NE 2.89Å; D46-R50 IonicContact OD2-NH2 2.95Å
47R45.6Very low41.9Very low174 Ų174129.6 Ų129.666%0.65768%0.678SS**Hα-helixtrans-68.3-32.1173.5-68.5-172.2-170.4174.54.8113D42 L45 F49 G51D42-R47 IonicContact OD2-CZ 3.26Å; D42-R47 IonicContact OD2-NE 2.75Å; D42-R47 IonicContact OD2-NH2 3.09Å; D42-R47 PolarHBondContact OD2-NH2 2.79Å; L45-R47 VanDerWaalsContact C-N 3.31Å; L45-R47 PolarHBondContact O-N 3.26Å; R47-F49 VanDerWaalsContact C-N 3.33Å; R47-G51 PolarHBondContact O-N 2.85Å
48L48.3Very low42.1Very low96 Ų96137 Ų13750%0.50368%0.683SS.*Hα-helixtrans-71.3-27.9176.6-78.8163.5000112.7L45L45-L48 PolarHBondContact O-N 3Å; L45-L48 VanDerWaalsContact O-N 3.16Å
49F50.1Low42.2Very low133 Ų133137.6 Ų137.658%0.58368%0.679SS**Hα-helixtrans-90.1-23.3-178.9-69.4-67.8000114.6L45 D46 R47 W167L45-F49 HydrophobicContact CB-CE2 4.41Å; L45-F49 HydrophobicContact CD2-CE2 4.07Å; L45-F49 WeakPolarHBondContact O-CD2 3.3Å; L45-F49 PolarHBondContact O-N 3.23Å; D46-F49 PolarHBondContact O-N 2.91Å; R47-F49 VanDerWaalsContact C-N 3.33Å; F49-W167 HydrophobicContact CE1-CZ2 4.28Å
50R49.7Very low41.9Very low205 Ų205136.9 Ų136.977%0.77467%0.669SS**Hα-helixtrans-89-18.7175-74.9-178.1-155.4-100.5-3.5115.3D46D46-R50 PolarHBondContact O-N 3.33Å; D46-R50 IonicContact OD2-CZ 3.94Å; D46-R50 IonicContact OD2-NE 3.85Å; D46-R50 PolarHBondContact OD2-NE 2.89Å; D46-R50 IonicContact OD2-NH2 2.95Å
51G38.5Very low42Very low61 Ų61139.3 Ų139.363%0.62967%0.671SS**  trans-94.24.6-163.500000118.5R47R47-G51 PolarHBondContact O-N 2.85Å
52R48.3Very low42Very low194 Ų194141.7 Ų141.773%0.73268%0.678SS**  trans-107.966.1-176.6-78.4-173.3-171.1144.92.5112.9
53N36.5Very low41.5Very low143 Ų143144.8 Ų144.877%0.76570%0.7SS**SBendtrans-157.1131151.6-85.1-38.2000106.9
54H38.8Very low41.1Very low189 Ų189148.5 Ų148.588%0.87572%0.721SS**SBendtrans110.7112.6176.9-59.178000116.1
55R37.2Very low40.2Very low233 Ų233151 Ų15188%0.87973%0.729SS**  trans72.785.9164.6-81.5-179.8166.6160.4-3.6118.8
56R38.9Very low39.6Very low248 Ų248150.4 Ų150.494%0.93674%0.74SS**  trans-99.3106.3144.3-77180173.3155.6-4108.4
57H42.2Very low39.1Very low182 Ų182153.5 Ų153.584%0.84376%0.762SS**  trans-90.4120.3149.1-90.9-80.3000107.3
58R34.7Very low38.3Very low228 Ų228154.2 Ų154.286%0.8677%0.77SS**  trans-83.4126.6-176.2-177-173.7-73.3-174.5-4.6107.3
59C32.6Very low37.4Very low118 Ų118155 Ų15580%0.79778%0.778SS**  trans-135.8124.6149-157.10000107.9
60S34.3Very low36.5Very low86 Ų86159 Ų15960%0.60180%0.796SS**  trans-102120.9-174.3-43.50000106.4
61H39.4Very low35.9Very low182 Ų182153.8 Ų153.884%0.84379%0.791SS**  trans-144.1131.9155.7-86-69.9000110.7
62S39Very low35.7Very low106 Ų106156.2 Ų156.274%0.74180%0.798SS**  trans-62.9150.1-176.741.80000113.4
63V32.4Very low35.3Very low148 Ų148154 Ų15490%0.89780%0.796SS**  trans-65.1125.4171.1177.90000109.7
64S35Very low35.1Very low104 Ų104153.1 Ų153.173%0.72780%0.802SS**  trans-151.1126.7155.553.80000109.1
65E33.9Very low35.6Very low198 Ų198151 Ų15193%0.92579%0.79SS**  trans-52.4129.7174.8-65.5168.5145.700110.6
66G31.2Very low35.7Very low56 Ų56150 Ų15058%0.57780%0.795SS**  trans-173.9110.8-17800000111.6F68G66-F68 PolarHBondContact O-N 3.23Å
67V34Very low36.4Very low140 Ų140144.9 Ų144.985%0.84879%0.785SS**  trans-42.6121.8164.8171.80000109.7
68F30.2Very low36.8Very low188 Ų188145.2 Ų145.283%0.82579%0.787SS**  trans-123.1104.8174-101.7-85.6000112.2G66G66-F68 PolarHBondContact O-N 3.23Å
69T29.6Very low37.6Very low112 Ų112141.7 Ų141.769%0.68779%0.785SS**  trans-46.9140.6156.837.50000112.5S71T69-S71 PolarHBondContact O-N 3.11Å; T69-S71 VanDerWaalsContact O-N 3.17Å
70F31Very low38.9Very low218 Ų218141.9 Ų141.996%0.95678%0.779SS**  trans-63.5105176.2-141.3-99.5000109.8
71S37Very low40.5Very low96 Ų96142.7 Ų142.767%0.67178%0.783SS**  trans-120.1113.5165.865.20000109.5T69 E73T69-S71 PolarHBondContact O-N 3.11Å; T69-S71 VanDerWaalsContact O-N 3.17Å; S71-E73 PolarHBondContact O-N 3.13Å
72S33.6Very low42.3Very low111 Ų111142.5 Ų142.578%0.77678%0.78SS**  trans-58.1111.2171.943.90000111.6
73E40.1Very low44.3Very low148 Ų148141.1 Ų141.169%0.69277%0.767SS**  trans-106.2108.4161.9-93.1-168.7173.300109.5S71 K75S71-E73 PolarHBondContact O-N 3.13Å; E73-K75 PolarHBondContact O-N 3.3Å; E73-K75 IonicContact OE2-NZ 3.16Å; E73-K75 PolarHBondContact OE2-NZ 2.91Å
74S33.1Very low46.6Very low125 Ų125137 Ų13787%0.87474%0.743SS**  trans-72.399.8172.4-50.30000109.9
75K47.9Very low49Very low145 Ų145135.4 Ų135.463%0.6373%0.725SS**  trans-111114.1163.7-73.8174.5-179.6141.90107.6E73 L77E73-K75 PolarHBondContact O-N 3.3Å; E73-K75 IonicContact OE2-NZ 3.16Å; E73-K75 PolarHBondContact OE2-NZ 2.91Å; K75-L77 VanDerWaalsContact C-N 3.35Å; K75-L77 HydrophobicContact CB-CD1 4.42Å; K75-L77 PolarHBondContact O-N 2.85Å
76Q40.8Very low51.3Low210 Ų210127.1 Ų127.198%0.98169%0.687SS**  trans-59.399168.9-70.3-179.7-6100108
77L53.3Low53.9Low141 Ų141132 Ų13274%0.73869%0.693SS**  trans-113.8127.7175.3-85.7160.7000105.9K75 D79K75-L77 VanDerWaalsContact C-N 3.35Å; K75-L77 HydrophobicContact CB-CD1 4.42Å; K75-L77 PolarHBondContact O-N 2.85Å; L77-D79 PolarHBondContact O-N 2.97Å
78E50.5Low56.1Low190 Ų190129.1 Ų129.189%0.88868%0.676SS**  trans-49.8126.7169.9-64.7-172.5158.900108.8D80E78-D80 PolarHBondContact O-N 2.98Å
79D50.9Low58.7Low153 Ų153127.1 Ų127.182%0.81867%0.667SS**  trans-62.180.6-176.3-95.6-28.8000110.5L77 C81L77-D79 PolarHBondContact O-N 2.97Å; D79-C81 PolarHBondContact O-N 3.44Å
80D60.3Low61.2Low123 Ų123128.5 Ų128.566%0.65868%0.678SS**  trans-76.778.5168.1-152.229000106.4E78 K82E78-D80 PolarHBondContact O-N 2.98Å; D80-K82 VanDerWaalsContact C-N 3.28Å; D80-K82 PolarHBondContact O-N 2.87Å; D80-K82 WeakPolarHBondContact OD2-CE 3.49Å; D80-K82 IonicContact OD2-NZ 2.79Å
81C67.1Low63.6Low103 Ų103125.6 Ų125.670%0.69667%0.671SS**  trans-59.681-176.2-76.20000111.8D79 V83D79-C81 PolarHBondContact O-N 3.44Å; C81-V83 PolarHBondContact O-N 3.32Å
82K78.1Confident65.8Low177 Ų177122.7 Ų122.777%0.7766%0.657SS**  trans-80.1114.2172.7-72.2171.3-173.7167.60109.2D80D80-K82 VanDerWaalsContact C-N 3.28Å; D80-K82 PolarHBondContact O-N 2.87Å; D80-K82 WeakPolarHBondContact OD2-CE 3.49Å; D80-K82 IonicContact OD2-NZ 2.79Å
83V80.2Confident68.4Low78 Ų78122.2 Ų122.247%0.47364%0.641SS.*  trans-111.6142.3176.5-64.50000110.6C81 M85 I94C81-V83 PolarHBondContact O-N 3.32Å; V83-M85 HydrophobicContact CG2-CG 4.39Å; V83-M85 HydrophobicContact CG2-SD 4.22Å; V83-M85 PolarHBondContact O-N 3.12Å; V83-I94 HydrophobicContact CB-CG2 4.01Å; V83-I94 HydrophobicContact CG1-CG2 4.47Å; V83-I94 HydrophobicContact CG2-CG1 4.26Å; V83-I94 HydrophobicContact CG2-CG2 3.97Å
84P81.3Confident70.7Confident61 Ų61119.6 Ų119.640%0.39663%0.63SS.*  trans-66.4132.1170.625.1-27.3000109.5V95 T101P84-V95 HydrophobicContact CB-CB 4.36Å; P84-V95 HydrophobicContact CG-CB 4.25Å; P84-V95 WeakPolarHBondContact CG-O 3.36Å; P84-V95 PolarHBondContact O-N 3.39Å; P84-T101 HydrophobicContact CB-CG2 4Å; P84-T101 HydrophobicContact CG-CG2 3.97Å
85M85.5Confident73.2Confident71 Ų71114 Ų11435%0.3559%0.59SS.*EExtended strand (participates in β ladder)trans-119.6132-179.8-70.3-67.1-65.500109.3V83 F87 K93 I94V83-M85 HydrophobicContact CG2-CG 4.39Å; V83-M85 HydrophobicContact CG2-SD 4.22Å; V83-M85 PolarHBondContact O-N 3.12Å; M85-F87 HydrophobicContact CB-CD2 4.39Å; M85-F87 HydrophobicContact CB-CE2 3.71Å; M85-F87 HydrophobicContact CB-CZ 3.87Å; M85-K93 WeakPolarHBondContact CA-O 3.36Å; M85-I94 HydrophobicContact CE-CG1 4.09Å; M85-I94 WeakPolarHBondContact SD-CA 3.19Å; M85-I94 HydrophobicContact SD-CB 3.89Å; M85-I94 HydrophobicContact SD-CG1 3.23Å; M85-I94 WeakPolarHBondContact SD-CG1 3.49Å
86D82.7Confident75.1Confident23 Ų23112.9 Ų112.912%0.12360%0.596CS.*EExtended strand (participates in β ladder)trans-93.4122.8170.6176.715.8000109.7T88 G92 K93 V95 L104D86-T88 VanDerWaalsContact OD1-CB 3.25Å; D86-T88 WeakPolarHBondContact OD1-CB 3.11Å; D86-T88 WeakPolarHBondContact OD1-CG2 3.24Å; D86-T88 PolarHBondContact OD1-N 2.94Å; D86-T88 PolarHBondContact OD1-OG1 3.19Å; D86-T88 PolarHBondContact OD2-OG1 3.36Å; D86-G92 CarbonylContact O-C 3.45Å; D86-G92 VanDerWaalsContact O-CA 3.22Å; D86-G92 WeakPolarHBondContact O-CA 3.24Å; D86-K93 PolarHBondContact N-O 2.83Å; D86-K93 PolarHBondContact O-N 3.46Å; D86-V95 HydrophobicContact CB-CG2 3.71Å; D86-L104 HydrophobicContact CB-CD1 4.04Å
87F84.8Confident77.3Confident158 Ų158106.3 Ų106.369%0.69357%0.568SS**  trans-109.214.5177.2-64-77.2000113M85 K89M85-F87 HydrophobicContact CB-CD2 4.39Å; M85-F87 HydrophobicContact CB-CE2 3.71Å; M85-F87 HydrophobicContact CB-CZ 3.87Å; F87-K89 PolarHBondContact O-N 3.33Å
88T81Confident78.9Confident81 Ų81103.8 Ų103.850%0.49756%0.56SS.*SBendtrans-60.2-24.5175.358.60000112.2D86D86-T88 VanDerWaalsContact OD1-CB 3.25Å; D86-T88 WeakPolarHBondContact OD1-CB 3.11Å; D86-T88 WeakPolarHBondContact OD1-CG2 3.24Å; D86-T88 PolarHBondContact OD1-N 2.94Å; D86-T88 PolarHBondContact OD1-OG1 3.19Å; D86-T88 PolarHBondContact OD2-OG1 3.36Å
89K83.5Confident80.8Confident145 Ų145101.9 Ų101.963%0.6355%0.548SS*.SBendtrans-109.3154.1176-62.5-179.1-176.1177.50111.3F87 L91F87-K89 PolarHBondContact O-N 3.33Å; K89-L91 CarbonylContact O-C 3.54Å; K89-L91 PolarHBondContact O-N 3.13Å
90P82.8Confident82.5Confident142 Ų14297.2 Ų97.292%0.92252%0.522SS*.SBendtrans-57.1-32.5179-26.434.6000114.4
91L82.1Confident83.5Confident157 Ų15793.5 Ų93.582%0.82250%0.504SS*.SBendtrans-93.9111.2166.8-75.8115.6000108.3K89K89-L91 CarbonylContact O-C 3.54Å; K89-L91 PolarHBondContact O-N 3.13Å
92G83.3Confident84.4Confident35 Ų3596.7 Ų96.736%0.36150%0.501SS..  trans-61.3136.3176.100000111.3D86D86-G92 CarbonylContact O-C 3.45Å; D86-G92 VanDerWaalsContact O-CA 3.22Å; D86-G92 WeakPolarHBondContact O-CA 3.24Å
93K88Confident84.9Confident101 Ų10193 Ų9344%0.43949%0.49SS..EExtended strand (participates in β ladder)trans-110.6132.9-178.2-179.6-166.8164-155.40109.9M85 D86 V95 E100M85-K93 WeakPolarHBondContact CA-O 3.36Å; D86-K93 PolarHBondContact N-O 2.83Å; D86-K93 PolarHBondContact O-N 3.46Å; K93-V95 PolarHBondContact O-N 2.97Å; K93-E100 IonicContact NZ-OE1 2.85Å; K93-E100 PolarHBondContact NZ-OE1 2.98Å; K93-E100 IonicContact NZ-OE2 3.8Å; K93-E100 PolarHBondContact NZ-OE2 2.99Å
94I88.5Confident85Confident93 Ų9391 Ų9148%0.47748%0.476SS..EExtended strand (participates in β ladder)trans-69.4122168.6-60163.3000108.3V83 M85 T96V83-I94 HydrophobicContact CB-CG2 4.01Å; V83-I94 HydrophobicContact CG1-CG2 4.47Å; V83-I94 HydrophobicContact CG2-CG1 4.26Å; V83-I94 HydrophobicContact CG2-CG2 3.97Å; M85-I94 HydrophobicContact CE-CG1 4.09Å; M85-I94 WeakPolarHBondContact SD-CA 3.19Å; M85-I94 HydrophobicContact SD-CB 3.89Å; M85-I94 HydrophobicContact SD-CG1 3.23Å; M85-I94 WeakPolarHBondContact SD-CG1 3.49Å; I94-T96 HydrophobicContact CG2-CG2 4.25Å
95V85.1Confident85Confident6 Ų693 Ų934%0.03648%0.483CS..  trans-88.6114177.7-175.50000108P84 D86 K93 E100 T101 L104P84-V95 HydrophobicContact CB-CB 4.36Å; P84-V95 HydrophobicContact CG-CB 4.25Å; P84-V95 WeakPolarHBondContact CG-O 3.36Å; P84-V95 PolarHBondContact O-N 3.39Å; D86-V95 HydrophobicContact CB-CG2 3.71Å; K93-V95 PolarHBondContact O-N 2.97Å; V95-E100 HydrophobicContact CG1-CB 3.8Å; V95-E100 HydrophobicContact CG1-CG 3.72Å; V95-T101 WeakPolarHBondContact CG1-OG1 3.49Å; V95-L104 HydrophobicContact CG1-CD1 4.21Å; V95-L104 HydrophobicContact CG2-CD1 3.62Å
96T87.3Confident85.1Confident122 Ų12294 Ų9475%0.74849%0.487SS*.  trans-100.5-28.4-178.152.20000112.8I94 P98I94-T96 HydrophobicContact CG2-CG2 4.25Å; T96-P98 WeakPolarHBondContact O-CD 3.44Å
97D87.5Confident85.3Confident73 Ų7397.4 Ų97.439%0.3950%0.502SS..  trans-78.3122.7179.8-177-1.1000110.8K99 E100 T101D97-K99 PolarHBondContact O-N 3.35Å; D97-K99 PolarHBondContact OD1-N 3.2Å; D97-E100 HydrophobicContact CB-CB 3.87Å; D97-E100 PolarHBondContact O-N 3.49Å; D97-T101 PolarHBondContact O-N 2.88Å; D97-T101 PolarHBondContact O-OG1 3.39Å
98P87Confident85Confident87 Ų8794.1 Ų94.157%0.56549%0.489SS*.Hα-helixtrans-58-31.4174.5-25.735.2000113.9T96 R102T96-P98 WeakPolarHBondContact O-CD 3.44Å; P98-R102 WeakPolarHBondContact O-CG 3.43Å; P98-R102 PolarHBondContact O-N 2.7Å; P98-R102 VanDerWaalsContact O-N 3.16Å
99K88.9Confident85Confident150 Ų15095.7 Ų95.765%0.65249%0.49SS*.Hα-helixtrans-71.1-44.3177.4-67.2-178.6179.8179.10111.1D97 T101 R102 N103D97-K99 PolarHBondContact O-N 3.35Å; D97-K99 PolarHBondContact OD1-N 3.2Å; K99-T101 VanDerWaalsContact C-N 3.3Å; K99-T101 PolarHBondContact O-N 3.01Å; K99-R102 PolarHBondContact O-N 3.11Å; K99-N103 VanDerWaalsContact O-CG 3.31Å; K99-N103 PolarHBondContact O-N 2.82Å; K99-N103 PolarHBondContact O-ND2 3.09Å
100E87.3Confident85Confident55 Ų5597.1 Ų97.126%0.25749%0.492SS..Hα-helixtrans-58.4-43.9173.8-170.2179.6177.600110.4K93 V95 D97 R102 N103 L104K93-E100 IonicContact NZ-OE1 2.85Å; K93-E100 PolarHBondContact NZ-OE1 2.98Å; K93-E100 IonicContact NZ-OE2 3.8Å; K93-E100 PolarHBondContact NZ-OE2 2.99Å; V95-E100 HydrophobicContact CG1-CB 3.8Å; V95-E100 HydrophobicContact CG1-CG 3.72Å; D97-E100 HydrophobicContact CB-CB 3.87Å; D97-E100 PolarHBondContact O-N 3.49Å; E100-R102 PolarHBondContact O-N 3.25Å; E100-N103 PolarHBondContact O-N 2.89Å; E100-L104 HydrophobicContact CG-CD1 4.12Å; E100-L104 WeakPolarHBondContact O-CG 3.39Å; E100-L104 PolarHBondContact O-N 3.35Å
101T81.7Confident84.9Confident45 Ų4594.7 Ų94.728%0.27646%0.464SS..Hα-helixtrans-58.9-44.7177.7-54.60000112.6P84 V95 D97 K99 L105P84-T101 HydrophobicContact CB-CG2 4Å; P84-T101 HydrophobicContact CG-CG2 3.97Å; V95-T101 WeakPolarHBondContact CG1-OG1 3.49Å; D97-T101 PolarHBondContact O-N 2.88Å; D97-T101 PolarHBondContact O-OG1 3.39Å; K99-T101 VanDerWaalsContact C-N 3.3Å; K99-T101 PolarHBondContact O-N 3.01Å; T101-L105 PolarHBondContact O-N 2.86Å; T101-L105 VanDerWaalsContact O-N 3.11Å
102R86.7Confident84.5Confident170 Ų17089.9 Ų89.964%0.64245%0.448SS*.Hα-helixtrans-65.4-45.4177.6-73.6-178.4-166.1162.64.2112P98 K99 E100 L104 L105 E106P98-R102 WeakPolarHBondContact O-CG 3.43Å; P98-R102 PolarHBondContact O-N 2.7Å; P98-R102 VanDerWaalsContact O-N 3.16Å; K99-R102 PolarHBondContact O-N 3.11Å; E100-R102 PolarHBondContact O-N 3.25Å; R102-L104 VanDerWaalsContact C-N 3.34Å; R102-L104 PolarHBondContact O-N 3.34Å; R102-L105 PolarHBondContact O-N 2.86Å; R102-E106 WeakPolarHBondContact O-CG 3.3Å; R102-E106 PolarHBondContact O-N 3.38Å
103N87.5Confident84.2Confident101 Ų10192.6 Ų92.654%0.5446%0.457SS..Hα-helixtrans-61.4-43.4-179.9-69.3-14.8000111.5K99 E100 E106 E107K99-N103 VanDerWaalsContact O-CG 3.31Å; K99-N103 PolarHBondContact O-N 2.82Å; K99-N103 PolarHBondContact O-ND2 3.09Å; E100-N103 PolarHBondContact O-N 2.89Å; N103-E106 PolarHBondContact O-N 3.36Å; N103-E107 WeakPolarHBondContact O-CB 3.32Å; N103-E107 PolarHBondContact O-N 3.23Å
104L82.9Confident83.8Confident35 Ų3592.7 Ų92.718%0.18346%0.459CS..Hα-helixtrans-63.4-41.6176.6-71.2171.5000111.9D86 V95 E100 R102 E107 E108D86-L104 HydrophobicContact CB-CD1 4.04Å; V95-L104 HydrophobicContact CG1-CD1 4.21Å; V95-L104 HydrophobicContact CG2-CD1 3.62Å; E100-L104 HydrophobicContact CG-CD1 4.12Å; E100-L104 WeakPolarHBondContact O-CG 3.39Å; E100-L104 PolarHBondContact O-N 3.35Å; R102-L104 VanDerWaalsContact C-N 3.34Å; R102-L104 PolarHBondContact O-N 3.34Å; L104-E107 PolarHBondContact O-N 3.12Å; L104-E108 WeakPolarHBondContact O-CG 3.31Å; L104-E108 PolarHBondContact O-N 3.1Å
105L81.7Confident83.2Confident104 Ų10494.1 Ų94.155%0.54547%0.467SS..Hα-helixtrans-63.8-45176.4-17865.4000111.8T101 R102 E107 E108 Q109T101-L105 PolarHBondContact O-N 2.86Å; T101-L105 VanDerWaalsContact O-N 3.11Å; R102-L105 PolarHBondContact O-N 2.86Å; L105-E107 VanDerWaalsContact C-N 3.32Å; L105-E107 PolarHBondContact O-N 3.33Å; L105-E108 PolarHBondContact O-N 2.92Å; L105-Q109 WeakPolarHBondContact O-CB 3.39Å; L105-Q109 WeakPolarHBondContact O-CG 3.3Å; L105-Q109 PolarHBondContact O-N 2.99Å
106E87.3Confident82.6Confident92 Ų9299.2 Ų99.243%0.4349%0.489SS..Hα-helixtrans-62.6-39.5176.4-74.3-180-164.100111.7R102 N103 Q109 R110R102-E106 WeakPolarHBondContact O-CG 3.3Å; R102-E106 PolarHBondContact O-N 3.38Å; N103-E106 PolarHBondContact O-N 3.36Å; E106-Q109 PolarHBondContact O-N 3.28Å; E106-R110 WeakPolarHBondContact O-CB 3.39Å; E106-R110 WeakPolarHBondContact O-CG 3.35Å; E106-R110 PolarHBondContact O-N 2.63Å
107E85.7Confident81.7Confident93 Ų9398.2 Ų98.244%0.43547%0.471SS..Hα-helixtrans-67.3-42.4177-163.8-173.8150.200112.1N103 L104 L105 Q109 R110 R111N103-E107 WeakPolarHBondContact O-CB 3.32Å; N103-E107 PolarHBondContact O-N 3.23Å; L104-E107 PolarHBondContact O-N 3.12Å; L105-E107 VanDerWaalsContact C-N 3.32Å; L105-E107 PolarHBondContact O-N 3.33Å; E107-Q109 VanDerWaalsContact C-N 3.34Å; E107-R110 PolarHBondContact O-N 3.07Å; E107-R111 WeakPolarHBondContact O-CB 3.45Å; E107-R111 PolarHBondContact O-N 3.09Å; E107-R111 IonicContact OE1-NE 3.54Å; E107-R111 IonicContact OE1-NH2 3.93Å
108E78.3Confident80.8Confident90 Ų9097.5 Ų97.542%0.42147%0.468SS..Hα-helixtrans-61.5-42.2172.3-74.4-60.6151.100111.5L104 L105 R111 A112L104-E108 WeakPolarHBondContact O-CG 3.31Å; L104-E108 PolarHBondContact O-N 3.1Å; L105-E108 PolarHBondContact O-N 2.92Å; E108-R111 PolarHBondContact O-N 2.91Å; E108-R111 IonicContact OE1-CZ 3.18Å; E108-R111 IonicContact OE1-NH1 3.9Å; E108-R111 PolarHBondContact OE1-NH1 2.9Å; E108-R111 IonicContact OE1-NH2 3.64Å; E108-R111 PolarHBondContact OE1-NH2 2.96Å; E108-R111 IonicContact OE2-CZ 3.56Å; E108-R111 IonicContact OE2-NH1 3.53Å; E108-R111 PolarHBondContact OE2-NH1 3.12Å; E108-R111 VanDerWaalsContact OE2-NH1 3.16Å; E108-A112 VanDerWaalsContact O-CB 3.26Å; E108-A112 WeakPolarHBondContact O-CB 3.33Å; E108-A112 PolarHBondContact O-N 3.42Å
109Q81Confident79.7Confident113 Ų11396.2 Ų96.253%0.52846%0.456SS..Hα-helixtrans-62.4-42.9175.1-76.6-178.4-100111.7L105 E106 E107 A112 T113L105-Q109 WeakPolarHBondContact O-CB 3.39Å; L105-Q109 WeakPolarHBondContact O-CG 3.3Å; L105-Q109 PolarHBondContact O-N 2.99Å; E106-Q109 PolarHBondContact O-N 3.28Å; E107-Q109 VanDerWaalsContact C-N 3.34Å; Q109-A112 PolarHBondContact O-N 2.87Å; Q109-T113 VanDerWaalsContact O-CB 3.26Å; Q109-T113 WeakPolarHBondContact O-CB 3.48Å; Q109-T113 PolarHBondContact O-N 3.06Å; Q109-T113 PolarHBondContact O-OG1 2.74Å
110R85.5Confident78.5Confident175 Ų17593 Ų9366%0.6645%0.445SS*.Hα-helixtrans-61.8-47.7174.6-75.4178-172.2160.48.6111.2E106 E107 A112 T113 E114E106-R110 WeakPolarHBondContact O-CB 3.39Å; E106-R110 WeakPolarHBondContact O-CG 3.35Å; E106-R110 PolarHBondContact O-N 2.63Å; E107-R110 PolarHBondContact O-N 3.07Å; R110-A112 PolarHBondContact O-N 3.45Å; R110-T113 PolarHBondContact O-N 3.24Å; R110-E114 WeakPolarHBondContact O-CB 3.39Å; R110-E114 PolarHBondContact O-N 2.81Å
111R80.6Confident77.1Confident91 Ų9195.4 Ų95.434%0.34346%0.456SS..Hα-helixtrans-60.6-45.8176.9-78.7-166.4-97.3119.5-2.4111.7E107 E108 T113 E114 L115E107-R111 WeakPolarHBondContact O-CB 3.45Å; E107-R111 PolarHBondContact O-N 3.09Å; E107-R111 IonicContact OE1-NE 3.54Å; E107-R111 IonicContact OE1-NH2 3.93Å; E108-R111 PolarHBondContact O-N 2.91Å; E108-R111 IonicContact OE1-CZ 3.18Å; E108-R111 IonicContact OE1-NH1 3.9Å; E108-R111 PolarHBondContact OE1-NH1 2.9Å; E108-R111 IonicContact OE1-NH2 3.64Å; E108-R111 PolarHBondContact OE1-NH2 2.96Å; E108-R111 IonicContact OE2-CZ 3.56Å; E108-R111 IonicContact OE2-NH1 3.53Å; E108-R111 PolarHBondContact OE2-NH1 3.12Å; E108-R111 VanDerWaalsContact OE2-NH1 3.16Å; R111-T113 PolarHBondContact O-N 3.37Å; R111-E114 PolarHBondContact O-N 3.11Å; R111-L115 WeakPolarHBondContact O-CB 3.16Å; R111-L115 VanDerWaalsContact O-CG 3.27Å; R111-L115 WeakPolarHBondContact O-CG 3.49Å; R111-L115 PolarHBondContact O-N 3.47Å
112A72.6Confident76Confident57 Ų5796.6 Ų96.647%0.47146%0.459SS..Hα-helixtrans-62.2-42.4176.400000112E108 Q109 R110 L115 F116E108-A112 VanDerWaalsContact O-CB 3.26Å; E108-A112 WeakPolarHBondContact O-CB 3.33Å; E108-A112 PolarHBondContact O-N 3.42Å; Q109-A112 PolarHBondContact O-N 2.87Å; R110-A112 PolarHBondContact O-N 3.45Å; A112-L115 PolarHBondContact O-N 3.05Å; A112-F116 WeakPolarHBondContact O-CB 3.23Å; A112-F116 PolarHBondContact O-N 3.06Å
113T77.2Confident74.5Confident92 Ų9291.1 Ų91.156%0.56445%0.445SS*.Hα-helixtrans-65.1-42.4177.7-58.10000111.4Q109 R110 R111 F116 R117Q109-T113 VanDerWaalsContact O-CB 3.26Å; Q109-T113 WeakPolarHBondContact O-CB 3.48Å; Q109-T113 PolarHBondContact O-N 3.06Å; Q109-T113 PolarHBondContact O-OG1 2.74Å; R110-T113 PolarHBondContact O-N 3.24Å; R111-T113 PolarHBondContact O-N 3.37Å; T113-F116 PolarHBondContact O-N 3.39Å; T113-R117 WeakPolarHBondContact O-CB 3.38Å; T113-R117 PolarHBondContact O-N 3.31Å
114E80Confident72.9Confident103 Ų10393.9 Ų93.948%0.48145%0.452SS..Hα-helixtrans-67-43.4177.6-178.9133.6-128.900112.2R110 R111 F116 R117 N118R110-E114 WeakPolarHBondContact O-CB 3.39Å; R110-E114 PolarHBondContact O-N 2.81Å; R111-E114 PolarHBondContact O-N 3.11Å; E114-F116 VanDerWaalsContact C-N 3.3Å; E114-F116 PolarHBondContact O-N 2.92Å; E114-R117 PolarHBondContact O-N 3.39Å; E114-R117 IonicContact OE1-CZ 2.8Å; E114-R117 IonicContact OE1-NH2 3.92Å; E114-R117 PolarHBondContact OE1-NH2 3.41Å; E114-N118 WeakPolarHBondContact O-CB 3.29Å; E114-N118 PolarHBondContact O-N 2.79Å; E114-N118 PolarHBondContact O-ND2 2.76Å
115L74.4Confident71.6Confident122 Ų12296.8 Ų96.864%0.63947%0.471SS*.Hα-helixtrans-59.8-42.7172.9-73.3176000111.5R111 A112 N118 L119R111-L115 WeakPolarHBondContact O-CB 3.16Å; R111-L115 VanDerWaalsContact O-CG 3.27Å; R111-L115 WeakPolarHBondContact O-CG 3.49Å; R111-L115 PolarHBondContact O-N 3.47Å; A112-L115 PolarHBondContact O-N 3.05Å; L115-N118 PolarHBondContact O-N 2.87Å; L115-L119 VanDerWaalsContact O-CB 3.31Å; L115-L119 WeakPolarHBondContact O-CB 3.1Å; L115-L119 PolarHBondContact O-N 2.89Å
116F72.5Confident70.5Confident114 Ų11494.8 Ų94.850%0.546%0.456SS..Hα-helixtrans-63.4-44.5175.8-175.2-110.5000111.4A112 T113 E114 N118 L119 L120A112-F116 WeakPolarHBondContact O-CB 3.23Å; A112-F116 PolarHBondContact O-N 3.06Å; T113-F116 PolarHBondContact O-N 3.39Å; E114-F116 VanDerWaalsContact C-N 3.3Å; E114-F116 PolarHBondContact O-N 2.92Å; F116-N118 PolarHBondContact O-N 2.86Å; F116-L119 PolarHBondContact O-N 2.84Å; F116-L120 HydrophobicContact CD1-CD1 3.9Å; F116-L120 HydrophobicContact CD1-CG 4.31Å; F116-L120 HydrophobicContact CE1-CD1 3.4Å; F116-L120 VanDerWaalsContact CE1-CD1 3.4Å; F116-L120 HydrophobicContact CE1-CG 4.03Å; F116-L120 HydrophobicContact CE2-CD2 4.34Å; F116-L120 HydrophobicContact CE2-CG 4.36Å; F116-L120 HydrophobicContact CZ-CD1 3.77Å; F116-L120 HydrophobicContact CZ-CD2 4.1Å; F116-L120 HydrophobicContact CZ-CG 4.05Å; F116-L120 WeakPolarHBondContact O-CB 3.35Å; F116-L120 WeakPolarHBondContact O-CG 3.3Å; F116-L120 PolarHBondContact O-N 3.21Å
117R69.8Low69.2Low100 Ų10092 Ų9238%0.37745%0.446SS..Hα-helixtrans-59.1-48176-174.9-172.264.968.4-1.1111.9T113 E114 L119 L120 Q121T113-R117 WeakPolarHBondContact O-CB 3.38Å; T113-R117 PolarHBondContact O-N 3.31Å; E114-R117 PolarHBondContact O-N 3.39Å; E114-R117 IonicContact OE1-CZ 2.8Å; E114-R117 IonicContact OE1-NH2 3.92Å; E114-R117 PolarHBondContact OE1-NH2 3.41Å; R117-L119 VanDerWaalsContact C-N 3.35Å; R117-L120 PolarHBondContact O-N 2.85Å; R117-Q121 VanDerWaalsContact NH1-OE1 3.1Å; R117-Q121 WeakPolarHBondContact O-CG 3.46Å; R117-Q121 PolarHBondContact O-N 3Å
118N68.4Low67.9Low58 Ų5896.2 Ų96.231%0.3146%0.46SS..Hα-helixtrans-64-41.7179.4-71.2-21.5000111.1E114 L115 F116 L120 Q121 E122E114-N118 WeakPolarHBondContact O-CB 3.29Å; E114-N118 PolarHBondContact O-N 2.79Å; E114-N118 PolarHBondContact O-ND2 2.76Å; L115-N118 PolarHBondContact O-N 2.87Å; F116-N118 PolarHBondContact O-N 2.86Å; N118-L120 VanDerWaalsContact C-N 3.33Å; N118-L120 PolarHBondContact O-N 2.87Å; N118-Q121 PolarHBondContact O-N 2.64Å; N118-E122 WeakPolarHBondContact O-CG 3.34Å; N118-E122 PolarHBondContact O-N 3.18Å
119L63.9Low67.2Low60 Ų6097.1 Ų97.131%0.31446%0.464SS..Hα-helixtrans-61.6-41.2174.3-175.666.6000111.9L115 F116 R117 T123L115-L119 VanDerWaalsContact O-CB 3.31Å; L115-L119 WeakPolarHBondContact O-CB 3.1Å; L115-L119 PolarHBondContact O-N 2.89Å; F116-L119 PolarHBondContact O-N 2.84Å; R117-L119 VanDerWaalsContact C-N 3.35Å; L119-T123 WeakPolarHBondContact O-CB 3.41Å; L119-T123 VanDerWaalsContact O-CG2 3.27Å; L119-T123 WeakPolarHBondContact O-CG2 3.29Å; L119-T123 PolarHBondContact O-N 2.9Å; L119-T123 PolarHBondContact O-OG1 2.81Å
120L62.9Low66.8Low82 Ų8291.9 Ų91.943%0.42944%0.44SS..Hα-helixtrans-64.9-38.1174.5-71.7-172.9000112F116 R117 N118 T123 K124F116-L120 HydrophobicContact CD1-CD1 3.9Å; F116-L120 HydrophobicContact CD1-CG 4.31Å; F116-L120 HydrophobicContact CE1-CD1 3.4Å; F116-L120 VanDerWaalsContact CE1-CD1 3.4Å; F116-L120 HydrophobicContact CE1-CG 4.03Å; F116-L120 HydrophobicContact CE2-CD2 4.34Å; F116-L120 HydrophobicContact CE2-CG 4.36Å; F116-L120 HydrophobicContact CZ-CD1 3.77Å; F116-L120 HydrophobicContact CZ-CD2 4.1Å; F116-L120 HydrophobicContact CZ-CG 4.05Å; F116-L120 WeakPolarHBondContact O-CB 3.35Å; F116-L120 WeakPolarHBondContact O-CG 3.3Å; F116-L120 PolarHBondContact O-N 3.21Å; R117-L120 PolarHBondContact O-N 2.85Å; N118-L120 VanDerWaalsContact C-N 3.33Å; N118-L120 PolarHBondContact O-N 2.87Å; L120-T123 WeakPolarHBondContact CA-OG1 3.3Å; L120-T123 PolarHBondContact O-OG1 2.95Å; L120-K124 VanDerWaalsContact O-CB 3.26Å; L120-K124 WeakPolarHBondContact O-CB 3.28Å; L120-K124 PolarHBondContact O-N 2.84Å
121Q57.9Low66.1Low106 Ų10687.3 Ų87.350%0.49543%0.427SS..Hα-helixtrans-68.2-44.2176-75.5-178.81.800112.4R117 N118 T123 K124 T125R117-Q121 VanDerWaalsContact NH1-OE1 3.1Å; R117-Q121 WeakPolarHBondContact O-CG 3.46Å; R117-Q121 PolarHBondContact O-N 3Å; N118-Q121 PolarHBondContact O-N 2.64Å; Q121-T123 VanDerWaalsContact C-N 3.3Å; Q121-T123 PolarHBondContact O-N 2.91Å; Q121-K124 PolarHBondContact O-N 2.8Å; Q121-T125 PolarHBondContact O-N 2.84Å; Q121-T125 PolarHBondContact O-OG1 2.99Å; Q121-T125 VanDerWaalsContact O-OG1 3.06Å
122E59.5Low66Low71 Ų7186.7 Ų86.733%0.33244%0.442SS..Hα-helixtrans-59.8-40.8174.7-77.7-179.3177.800111.7N118 T125 R126 K190N118-E122 WeakPolarHBondContact O-CG 3.34Å; N118-E122 PolarHBondContact O-N 3.18Å; E122-T125 PolarHBondContact O-OG1 3.18Å; E122-T125 VanDerWaalsContact O-OG1 3.05Å; E122-R126 VanDerWaalsContact O-CG 3.32Å; E122-R126 WeakPolarHBondContact O-CG 3.31Å; E122-R126 PolarHBondContact O-N 3.32Å; E122-K190 IonicContact OE2-NZ 3.37Å
123T55.3Low66.8Low55 Ų5586.2 Ų86.234%0.33743%0.43SS..Hα-helixtrans-72.8-35.6177.553.60000112.1L119 L120 Q121 S127L119-T123 WeakPolarHBondContact O-CB 3.41Å; L119-T123 VanDerWaalsContact O-CG2 3.27Å; L119-T123 WeakPolarHBondContact O-CG2 3.29Å; L119-T123 PolarHBondContact O-N 2.9Å; L119-T123 PolarHBondContact O-OG1 2.81Å; L120-T123 WeakPolarHBondContact CA-OG1 3.3Å; L120-T123 PolarHBondContact O-OG1 2.95Å; Q121-T123 VanDerWaalsContact C-N 3.3Å; Q121-T123 PolarHBondContact O-N 2.91Å; T123-S127 VanDerWaalsContact O-CB 3.28Å; T123-S127 WeakPolarHBondContact O-CB 3.32Å; T123-S127 PolarHBondContact O-N 3.39Å
124K54.7Low67.4Low158 Ų15884.4 Ų84.469%0.68742%0.42SS*.Hα-helixtrans-67.3-46.6178.4-169.9174.2-176.4178.30112.5L120 Q121 R126 S127 Y128L120-K124 VanDerWaalsContact O-CB 3.26Å; L120-K124 WeakPolarHBondContact O-CB 3.28Å; L120-K124 PolarHBondContact O-N 2.84Å; Q121-K124 PolarHBondContact O-N 2.8Å; K124-R126 PolarHBondContact O-N 3.15Å; K124-S127 WeakPolarHBondContact CA-OG 3.27Å; K124-S127 PolarHBondContact O-N 3.41Å; K124-S127 PolarHBondContact O-OG 3.39Å; K124-Y128 PolarHBondContact O-N 2.9Å
125T55.2Low68.1Low96 Ų9680.1 Ų80.159%0.58940%0.399SS*.Hα-helixtrans-59-48177.847.90000111.5Q121 E122 S127 Y128Q121-T125 PolarHBondContact O-N 2.84Å; Q121-T125 PolarHBondContact O-OG1 2.99Å; Q121-T125 VanDerWaalsContact O-OG1 3.06Å; E122-T125 PolarHBondContact O-OG1 3.18Å; E122-T125 VanDerWaalsContact O-OG1 3.05Å; T125-S127 VanDerWaalsContact C-N 3.3Å; T125-S127 PolarHBondContact O-N 3.46Å; T125-Y128 PolarHBondContact O-N 3.25Å
126R57.8Low69Low63 Ų6374.9 Ų74.924%0.23837%0.371CS..Hα-helixtrans-66.2-30.3176.3-68.3177.2167.2-141.4-4.7113.4E122 K124 Y128 N130 V198 Y200E122-R126 VanDerWaalsContact O-CG 3.32Å; E122-R126 WeakPolarHBondContact O-CG 3.31Å; E122-R126 PolarHBondContact O-N 3.32Å; K124-R126 PolarHBondContact O-N 3.15Å; R126-Y128 VanDerWaalsContact C-N 3.28Å; R126-Y128 PolarHBondContact O-N 2.87Å; R126-N130 PolarHBondContact O-ND2 2.97Å; R126-V198 VanDerWaalsContact NH1-CB 3.32Å; R126-V198 PolarHBondContact NH1-O 2.91Å; R126-V198 PolarHBondContact NH2-O 2.83Å; R126-Y200 WeakPolarHBondContact CD-OH 3.43Å; R126-Y200 VanDerWaalsContact NH1-CE2 3.32Å; R126-Y200 PolarHBondContact NH1-OH 3.18Å
127S59.7Low69.8Low32 Ų3270.2 Ų70.222%0.22435%0.351CS..Hα-helixtrans-63.9-33.7177.9730000112.3T123 K124 T125 E129 N130 I131T123-S127 VanDerWaalsContact O-CB 3.28Å; T123-S127 WeakPolarHBondContact O-CB 3.32Å; T123-S127 PolarHBondContact O-N 3.39Å; K124-S127 WeakPolarHBondContact CA-OG 3.27Å; K124-S127 PolarHBondContact O-N 3.41Å; K124-S127 PolarHBondContact O-OG 3.39Å; T125-S127 VanDerWaalsContact C-N 3.3Å; T125-S127 PolarHBondContact O-N 3.46Å; S127-E129 PolarHBondContact O-N 3.36Å; S127-N130 PolarHBondContact O-N 2.63Å; S127-I131 WeakPolarHBondContact O-CB 3.24Å; S127-I131 WeakPolarHBondContact O-CD1 3.44Å; S127-I131 WeakPolarHBondContact O-CG1 3.34Å; S127-I131 PolarHBondContact O-N 3.21Å
128Y58.6Low70.7Confident183 Ų18369 Ų6972%0.71835%0.349SS*.Hα-helixtrans-67.1-41.8-173.9-150.5-89.3000112.8K124 T125 R126 N130 I131 A132K124-Y128 PolarHBondContact O-N 2.9Å; T125-Y128 PolarHBondContact O-N 3.25Å; R126-Y128 VanDerWaalsContact C-N 3.28Å; R126-Y128 PolarHBondContact O-N 2.87Å; Y128-N130 VanDerWaalsContact C-N 3.26Å; Y128-N130 PolarHBondContact O-N 3.25Å; Y128-I131 PolarHBondContact O-N 3.26Å; Y128-A132 PolarHBondContact O-N 3.03Å
129E64.6Low71.6Confident109 Ų10972.4 Ų72.451%0.50937%0.368SS..Hα-helixtrans-63.7-35.4175.9-66.7176.8176.400111.8S127 Q133S127-E129 PolarHBondContact O-N 3.36Å; E129-Q133 WeakPolarHBondContact O-CG 3.34Å
130N70.8Confident72.9Confident3 Ų370.5 Ų70.52%0.01636%0.358CS..Hα-helixtrans-72.9-42.6177-63-42.7000111.7R126 S127 Y128 A132 Q133 F136 L212R126-N130 PolarHBondContact O-ND2 2.97Å; S127-N130 PolarHBondContact O-N 2.63Å; Y128-N130 VanDerWaalsContact C-N 3.26Å; Y128-N130 PolarHBondContact O-N 3.25Å; N130-A132 PolarHBondContact O-N 3.04Å; N130-Q133 WeakPolarHBondContact O-CB 3.18Å; N130-Q133 PolarHBondContact O-N 2.83Å; N130-F136 HydrophobicContact CB-CD1 4.33Å; N130-F136 HydrophobicContact CB-CD2 4.06Å; N130-F136 HydrophobicContact CB-CE1 4.37Å; N130-F136 HydrophobicContact CB-CE2 4.11Å; N130-F136 HydrophobicContact CB-CG 4.17Å; N130-F136 HydrophobicContact CB-CZ 4.27Å; N130-F136 WeakPolarHBondContact O-CB 3.39Å; N130-F136 WeakPolarHBondContact O-CD1 3.31Å; N130-F136 VanDerWaalsContact O-CG 3.29Å; N130-F136 WeakPolarHBondContact O-CG 3.36Å; N130-L212 HydrophobicContact CB-CD1 4.22Å; N130-L212 VanDerWaalsContact OD1-CB 3.31Å; N130-L212 WeakPolarHBondContact OD1-CB 3.27Å; N130-L212 WeakPolarHBondContact OD1-CD1 3.35Å; N130-L212 WeakPolarHBondContact OD1-CG 3.37Å
131I71Confident74.3Confident78 Ų7869 Ų6940%0.435%0.352SS..Hα-helixtrans-60.3-30.7-179.8-70.2161.1000111.7S127 Y128 Q133 F136S127-I131 WeakPolarHBondContact O-CB 3.24Å; S127-I131 WeakPolarHBondContact O-CD1 3.44Å; S127-I131 WeakPolarHBondContact O-CG1 3.34Å; S127-I131 PolarHBondContact O-N 3.21Å; Y128-I131 PolarHBondContact O-N 3.26Å; I131-Q133 PolarHBondContact O-N 2.98Å; I131-F136 HydrophobicContact CG1-CD1 4.36Å; I131-F136 HydrophobicContact CG1-CE1 3.94Å
132A80.1Confident76Confident78 Ų7871.8 Ų71.865%0.64536%0.358SS*.THydrogen-bonded Turntrans-71.6-13176.300000114Y128 N130Y128-A132 PolarHBondContact O-N 3.03Å; N130-A132 PolarHBondContact O-N 3.04Å
133Q88.3Confident77.7Confident48 Ų4874.5 Ų74.522%0.22437%0.371CS..SBendtrans-84.5132-175.2-61.4-62-47.400111.6E129 N130 I131 W135 F136 I213E129-Q133 WeakPolarHBondContact O-CG 3.34Å; N130-Q133 WeakPolarHBondContact O-CB 3.18Å; N130-Q133 PolarHBondContact O-N 2.83Å; I131-Q133 PolarHBondContact O-N 2.98Å; Q133-W135 HydrophobicContact CB-CD2 3.84Å; Q133-W135 VanDerWaalsContact CB-CE2 3.46Å; Q133-W135 HydrophobicContact CB-CE3 4.26Å; Q133-W135 HydrophobicContact CB-CG 4.36Å; Q133-W135 HydrophobicContact CB-CH2 4.03Å; Q133-W135 HydrophobicContact CB-CZ2 3.61Å; Q133-W135 HydrophobicContact CB-CZ3 4.33Å; Q133-W135 HydrophobicContact CG-CH2 3.91Å; Q133-W135 HydrophobicContact CG-CZ2 3.44Å; Q133-W135 VanDerWaalsContact CG-CZ2 3.44Å; Q133-W135 PolarHBondContact O-N 3.35Å; Q133-W135 VanDerWaalsContact O-N 3.15Å; Q133-F136 HydrophobicContact CB-CB 4.08Å; Q133-F136 WeakPolarHBondContact O-CB 3.46Å; Q133-F136 PolarHBondContact O-N 2.79Å; Q133-I213 HydrophobicContact CG-CD1 4.41Å; Q133-I213 HydrophobicContact CG-CG1 4.11Å
134P90.8Very high79.5Confident54 Ų5473.5 Ų73.535%0.35136%0.363SS..THydrogen-bonded Turntrans-66.2-23.7-175.227.3-35.7000113.2Y234 T236P134-Y234 HydrophobicContact CB-CD2 4.34Å; P134-Y234 HydrophobicContact CB-CE2 3.74Å; P134-Y234 HydrophobicContact CG-CD2 4.34Å; P134-Y234 HydrophobicContact CG-CE2 3.62Å; P134-T236 HydrophobicContact CB-CG2 4.35Å; P134-T236 WeakPolarHBondContact O-CA 3.49Å
135W93.3Very high81.4Confident13 Ų1366 Ų665%0.04933%0.33CS..THydrogen-bonded Turntrans-86.7-3.817848.7-101.5000113.6Q133 H137 F159 I161 L212 I213 V216 Y234Q133-W135 HydrophobicContact CB-CD2 3.84Å; Q133-W135 VanDerWaalsContact CB-CE2 3.46Å; Q133-W135 HydrophobicContact CB-CE3 4.26Å; Q133-W135 HydrophobicContact CB-CG 4.36Å; Q133-W135 HydrophobicContact CB-CH2 4.03Å; Q133-W135 HydrophobicContact CB-CZ2 3.61Å; Q133-W135 HydrophobicContact CB-CZ3 4.33Å; Q133-W135 HydrophobicContact CG-CH2 3.91Å; Q133-W135 HydrophobicContact CG-CZ2 3.44Å; Q133-W135 VanDerWaalsContact CG-CZ2 3.44Å; Q133-W135 PolarHBondContact O-N 3.35Å; Q133-W135 VanDerWaalsContact O-N 3.15Å; W135-H137 PolarHBondContact O-CD2 2.79Å; W135-F159 HydrophobicContact CB-CE2 3.94Å; W135-F159 HydrophobicContact CB-CZ 4.21Å; W135-F159 HydrophobicContact CD2-CE2 4.47Å; W135-F159 HydrophobicContact CG-CE2 4.15Å; W135-F159 HydrophobicContact CG-CZ 4.35Å; W135-I161 HydrophobicContact CE3-CB 3.85Å; W135-I161 HydrophobicContact CE3-CD1 3.87Å; W135-I161 HydrophobicContact CE3-CG1 4Å; W135-I161 HydrophobicContact CH2-CD1 4.38Å; W135-I161 HydrophobicContact CZ3-CB 3.92Å; W135-I161 HydrophobicContact CZ3-CD1 3.58Å; W135-I161 HydrophobicContact CZ3-CG1 4.1Å; W135-I161 HydrophobicContact CZ3-CG2 4.42Å; W135-I161 PolarHBondContact O-N 3.25Å; W135-L212 HydrophobicContact CH2-CB 3.71Å; W135-L212 HydrophobicContact CZ3-CB 4.17Å; W135-I213 HydrophobicContact CZ2-CG1 4.19Å; W135-V216 HydrophobicContact CD2-CG2 4.17Å; W135-V216 HydrophobicContact CE3-CG2 4.13Å; W135-V216 HydrophobicContact CH2-CG2 3.85Å; W135-V216 HydrophobicContact CZ2-CB 4.25Å; W135-V216 HydrophobicContact CZ2-CG2 3.85Å; W135-V216 HydrophobicContact CZ3-CG2 4Å; W135-Y234 HydrophobicContact CB-CD2 4.03Å; W135-Y234 HydrophobicContact CB-CG 3.8Å
136F93.1Very high83.3Confident12 Ų1262.8 Ų62.85%0.05331%0.311CS..EExtended strand (participates in β ladder)trans-99.2136-179-177.7-95.7000111.7N130 I131 Q133 E138 I161 F171 L212N130-F136 HydrophobicContact CB-CD1 4.33Å; N130-F136 HydrophobicContact CB-CD2 4.06Å; N130-F136 HydrophobicContact CB-CE1 4.37Å; N130-F136 HydrophobicContact CB-CE2 4.11Å; N130-F136 HydrophobicContact CB-CG 4.17Å; N130-F136 HydrophobicContact CB-CZ 4.27Å; N130-F136 WeakPolarHBondContact O-CB 3.39Å; N130-F136 WeakPolarHBondContact O-CD1 3.31Å; N130-F136 VanDerWaalsContact O-CG 3.29Å; N130-F136 WeakPolarHBondContact O-CG 3.36Å; I131-F136 HydrophobicContact CG1-CD1 4.36Å; I131-F136 HydrophobicContact CG1-CE1 3.94Å; Q133-F136 HydrophobicContact CB-CB 4.08Å; Q133-F136 WeakPolarHBondContact O-CB 3.46Å; Q133-F136 PolarHBondContact O-N 2.79Å; F136-E138 HydrophobicContact CE1-CB 4.24Å; F136-I161 CarbonylContact C-O 3.58Å; F136-I161 WeakPolarHBondContact CA-O 3.39Å; F136-I161 HydrophobicContact CD2-CB 4.4Å; F136-I161 HydrophobicContact CD2-CG2 3.99Å; F136-I161 HydrophobicContact CE2-CG2 4.31Å; F136-F171 AromaticContact CE2-CD1 3.55Å; F136-F171 HydrophobicContact CE2-CD1 3.55Å; F136-F171 AromaticContact CE2-CE1 3.59Å; F136-F171 HydrophobicContact CE2-CE1 3.59Å; F136-F171 HydrophobicContact CZ-CD1 4.06Å; F136-F171 AromaticContact CZ-CE1 3.74Å; F136-F171 HydrophobicContact CZ-CE1 3.74Å; F136-L212 HydrophobicContact CD2-CD1 4.26Å; F136-L212 HydrophobicContact CE2-CD1 4.2Å
137H91.2Very high85Confident15 Ų1561.9 Ų61.97%0.06931%0.312CS..EExtended strand (participates in β ladder)trans-133.9113.3-175.6-62.1-104.4000110.8W135 L140 I161 R162 K163 V235W135-H137 PolarHBondContact O-CD2 2.79Å; H137-L140 HydrophobicContact CB-CB 4.12Å; H137-L140 HydrophobicContact CB-CD1 3.45Å; H137-L140 VanDerWaalsContact CB-CD1 3.45Å; H137-L140 HydrophobicContact CB-CG 3.7Å; H137-L140 VanDerWaalsContact ND1-CD1 3.34Å; H137-L140 WeakPolarHBondContact ND1-CD1 3.35Å; H137-I161 PolarHBondContact N-O 3.43Å; H137-R162 WeakPolarHBondContact O-CA 3.46Å; H137-K163 PolarHBondContact O-N 3.19Å; H137-V235 PolarHBondContact NE2-O 3.38Å
138E87.9Confident86.6Confident74 Ų7460.5 Ų60.535%0.34630%0.303SS..THydrogen-bonded Turntrans-71.4-40.8-174.3-165.5173.9-178.900112.9F136 K163F136-E138 HydrophobicContact CE1-CB 4.24Å; E138-K163 HydrophobicContact CG-CD 3.81Å; E138-K163 WeakPolarHBondContact O-CB 3.26Å; E138-K163 IonicContact OE1-NZ 2.62Å; E138-K163 PolarHBondContact OE1-NZ 2.87Å
139N87Confident88.3Confident130 Ų13051.9 Ų51.970%0.69527%0.269SS*.THydrogen-bonded Turntrans-11323.7-165.7-63.9-26.2000113.9
140L91.2Very high89.7Confident21 Ų2153.4 Ų53.411%0.1127%0.27CS..  trans-89.7128.8177-75.1-176000112.4H137 D144 I148 L160 R162 H165 V241H137-L140 HydrophobicContact CB-CB 4.12Å; H137-L140 HydrophobicContact CB-CD1 3.45Å; H137-L140 VanDerWaalsContact CB-CD1 3.45Å; H137-L140 HydrophobicContact CB-CG 3.7Å; H137-L140 VanDerWaalsContact ND1-CD1 3.34Å; H137-L140 WeakPolarHBondContact ND1-CD1 3.35Å; L140-D144 HydrophobicContact CD2-CB 3.78Å; L140-I148 HydrophobicContact CD1-CD1 3.6Å; L140-I148 HydrophobicContact CD2-CD1 3.75Å; L140-I148 HydrophobicContact CG-CD1 4.37Å; L140-L160 HydrophobicContact CD1-CD1 4.31Å; L140-L160 HydrophobicContact CD1-CD2 4.13Å; L140-R162 HydrophobicContact CB-CB 4.16Å; L140-R162 WeakPolarHBondContact O-CD 3.44Å; L140-H165 PolarHBondContact O-NE2 3.25Å; L140-V241 HydrophobicContact CD2-CG2 4.45Å
141T92.4Very high90.7Very high50 Ų5057.3 Ų57.331%0.30730%0.297SS..  trans-77.7171.1170.875.60000111.5H143 D144 A145T141-H143 PolarHBondContact O-N 3.17Å; T141-H143 PolarHBondContact OG1-N 2.91Å; T141-D144 VanDerWaalsContact CB-OD2 3.27Å; T141-D144 WeakPolarHBondContact CB-OD2 3.48Å; T141-D144 VanDerWaalsContact CG2-OD2 3.3Å; T141-D144 WeakPolarHBondContact CG2-OD2 3.26Å; T141-D144 PolarHBondContact N-OD2 2.91Å; T141-D144 VanDerWaalsContact N-OD2 3.07Å; T141-D144 PolarHBondContact OG1-N 3.26Å; T141-D144 PolarHBondContact OG1-OD1 2.97Å; T141-D144 PolarHBondContact OG1-OD2 3.42Å; T141-A145 WeakPolarHBondContact O-CB 3.49Å; T141-A145 PolarHBondContact O-N 2.97Å; T141-A145 VanDerWaalsContact O-N 3.09Å
142R94.2Very high91.6Very high165 Ų16557.8 Ų57.862%0.62330%0.3SS*.Hα-helixtrans-59.2-38.4172.3-172.9-178.3-175.5170.91.6111.6T146 H183R142-T146 PolarHBondContact O-N 2.9Å; R142-T146 PolarHBondContact O-OG1 3.18Å; R142-H183 WeakPolarHBondContact CG-NE2 3.36Å; R142-H183 PolarHBondContact NE-CD2 3.4Å; R142-H183 PolarHBondContact NE-NE2 3.31Å
143H94.4Very high92.2Very high128 Ų12856.9 Ų56.959%0.59330%0.299SS*.Hα-helixtrans-69.2-50.3-178.7-176.671.5000110.4T141 A145 T146 T147T141-H143 PolarHBondContact O-N 3.17Å; T141-H143 PolarHBondContact OG1-N 2.91Å; H143-A145 VanDerWaalsContact C-N 3.33Å; H143-A145 PolarHBondContact O-N 2.87Å; H143-T146 WeakPolarHBondContact O-CA 3.28Å; H143-T146 WeakPolarHBondContact O-CB 3.42Å; H143-T146 PolarHBondContact O-N 3.35Å; H143-T147 PolarHBondContact O-N 3.3Å; H143-T147 PolarHBondContact O-OG1 3.4Å
144D93.3Very high92.3Very high33 Ų3356.6 Ų56.618%0.17630%0.296CS..Hα-helixtrans-59.1-44.8-179.8-49.6-35.1000111.4L140 T141 T146 T147 I148L140-D144 HydrophobicContact CD2-CB 3.78Å; T141-D144 VanDerWaalsContact CB-OD2 3.27Å; T141-D144 WeakPolarHBondContact CB-OD2 3.48Å; T141-D144 VanDerWaalsContact CG2-OD2 3.3Å; T141-D144 WeakPolarHBondContact CG2-OD2 3.26Å; T141-D144 PolarHBondContact N-OD2 2.91Å; T141-D144 VanDerWaalsContact N-OD2 3.07Å; T141-D144 PolarHBondContact OG1-N 3.26Å; T141-D144 PolarHBondContact OG1-OD1 2.97Å; T141-D144 PolarHBondContact OG1-OD2 3.42Å; D144-T146 VanDerWaalsContact C-N 3.25Å; D144-T146 PolarHBondContact O-N 2.9Å; D144-T147 PolarHBondContact O-N 3.13Å; D144-T147 VanDerWaalsContact O-N 3.1Å; D144-I148 VanDerWaalsContact O-CG1 3.31Å; D144-I148 WeakPolarHBondContact O-CG1 3.39Å; D144-I148 PolarHBondContact O-N 3.08Å
145A93.9Very high92.5Very high0 Ų059.8 Ų59.80%031%0.305CS..Hα-helixtrans-57.4-38.8175.300000112.7T141 H143 L149 L160T141-A145 WeakPolarHBondContact O-CB 3.49Å; T141-A145 PolarHBondContact O-N 2.97Å; T141-A145 VanDerWaalsContact O-N 3.09Å; H143-A145 VanDerWaalsContact C-N 3.33Å; H143-A145 PolarHBondContact O-N 2.87Å; A145-L149 WeakPolarHBondContact O-CB 3.16Å; A145-L149 VanDerWaalsContact O-CG 3.3Å; A145-L149 WeakPolarHBondContact O-CG 3.39Å; A145-L149 PolarHBondContact O-N 3Å; A145-L149 VanDerWaalsContact O-N 3.12Å; A145-L160 HydrophobicContact CB-CD1 3.94Å; A145-L160 HydrophobicContact CB-CD2 4.08Å; A145-L160 HydrophobicContact CB-CG 4.48Å
146T95.5Very high92.6Very high30 Ų3063.4 Ų63.418%0.18433%0.325CS..Hα-helixtrans-69.3-41.1176.9-54.80000111.2R142 H143 D144 R150 V181 H183R142-T146 PolarHBondContact O-N 2.9Å; R142-T146 PolarHBondContact O-OG1 3.18Å; H143-T146 WeakPolarHBondContact O-CA 3.28Å; H143-T146 WeakPolarHBondContact O-CB 3.42Å; H143-T146 PolarHBondContact O-N 3.35Å; D144-T146 VanDerWaalsContact C-N 3.25Å; D144-T146 PolarHBondContact O-N 2.9Å; T146-R150 VanDerWaalsContact O-CB 3.29Å; T146-R150 WeakPolarHBondContact O-CB 3.37Å; T146-R150 PolarHBondContact O-N 3.13Å; T146-V181 HydrophobicContact CG2-CB 4.3Å; T146-V181 HydrophobicContact CG2-CG2 4.1Å; T146-H183 PolarHBondContact OG1-NE2 3.4Å
147T94.6Very high92.8Very high44 Ų4463 Ų6327%0.2732%0.324SS..Hα-helixtrans-65.4-42178.5-61.30000111.8H143 D144 R150 S151 V241H143-T147 PolarHBondContact O-N 3.3Å; H143-T147 PolarHBondContact O-OG1 3.4Å; D144-T147 PolarHBondContact O-N 3.13Å; D144-T147 VanDerWaalsContact O-N 3.1Å; T147-R150 WeakPolarHBondContact O-CB 3.19Å; T147-R150 PolarHBondContact O-N 3.45Å; T147-S151 PolarHBondContact O-N 2.88Å; T147-V241 HydrophobicContact CG2-CG1 4.24Å
148I93.3Very high93Very high3 Ų362.6 Ų62.62%0.01532%0.323CS..Hα-helixtrans-65.6-47.7176.1-62.3158.8000111.3L140 D144 R150 S151 L152 V235 V239 V241L140-I148 HydrophobicContact CD1-CD1 3.6Å; L140-I148 HydrophobicContact CD2-CD1 3.75Å; L140-I148 HydrophobicContact CG-CD1 4.37Å; D144-I148 VanDerWaalsContact O-CG1 3.31Å; D144-I148 WeakPolarHBondContact O-CG1 3.39Å; D144-I148 PolarHBondContact O-N 3.08Å; I148-R150 PolarHBondContact O-N 3.26Å; I148-S151 PolarHBondContact O-N 2.79Å; I148-S151 VanDerWaalsContact O-N 3.13Å; I148-S151 PolarHBondContact O-OG 3.33Å; I148-L152 HydrophobicContact CG2-CD1 4.18Å; I148-L152 WeakPolarHBondContact O-CG 3.35Å; I148-L152 PolarHBondContact O-N 2.9Å; I148-L152 VanDerWaalsContact O-N 3.11Å; I148-V235 HydrophobicContact CG2-CB 4.42Å; I148-V235 HydrophobicContact CG2-CG1 3.46Å; I148-V235 VanDerWaalsContact CG2-CG1 3.46Å; I148-V235 HydrophobicContact CG2-CG2 4.1Å; I148-V239 HydrophobicContact CG1-CB 4.47Å; I148-V239 HydrophobicContact CG2-CB 4.47Å; I148-V239 HydrophobicContact CG2-CG2 4Å; I148-V241 HydrophobicContact CD1-CG2 3.47Å; I148-V241 VanDerWaalsContact CD1-CG2 3.47Å; I148-V241 HydrophobicContact CG1-CG2 3.37Å
149L94Very high93.5Very high1 Ų159.1 Ų59.11%0.00531%0.307CS..Hα-helixtrans-63-29.8178.4-71.5171.1000111.9A145 F154 T158 L160 A176 V181 V235A145-L149 WeakPolarHBondContact O-CB 3.16Å; A145-L149 VanDerWaalsContact O-CG 3.3Å; A145-L149 WeakPolarHBondContact O-CG 3.39Å; A145-L149 PolarHBondContact O-N 3Å; A145-L149 VanDerWaalsContact O-N 3.12Å; L149-F154 WeakPolarHBondContact O-CA 3.37Å; L149-F154 PolarHBondContact O-N 2.78Å; L149-T158 HydrophobicContact CD2-CG2 3.73Å; L149-L160 HydrophobicContact CG-CD2 4.43Å; L149-A176 HydrophobicContact CD2-CB 4.34Å; L149-V181 HydrophobicContact CB-CG2 3.89Å; L149-V181 HydrophobicContact CD1-CB 4.42Å; L149-V181 HydrophobicContact CD1-CG1 3.61Å; L149-V181 HydrophobicContact CD1-CG2 3.88Å; L149-V235 HydrophobicContact CD2-CG2 3.82Å
150R93.5Very high93.9Very high141 Ų14152.9 Ų52.953%0.53227%0.274SS..Hα-helixtrans-69.5-45.6171.9-177.6-176-56.81721.7112.3T146 T147 I148 L152 G153 F154T146-R150 VanDerWaalsContact O-CB 3.29Å; T146-R150 WeakPolarHBondContact O-CB 3.37Å; T146-R150 PolarHBondContact O-N 3.13Å; T147-R150 WeakPolarHBondContact O-CB 3.19Å; T147-R150 PolarHBondContact O-N 3.45Å; I148-R150 PolarHBondContact O-N 3.26Å; R150-L152 PolarHBondContact O-N 2.81Å; R150-G153 WeakPolarHBondContact O-CA 3.46Å; R150-G153 PolarHBondContact O-N 2.86Å; R150-F154 HydrophobicContact CB-CD1 4.44Å; R150-F154 HydrophobicContact CB-CE1 3.67Å; R150-F154 HydrophobicContact CB-CE2 3.97Å; R150-F154 HydrophobicContact CB-CZ 3.42Å; R150-F154 VanDerWaalsContact CB-CZ 3.42Å; R150-F154 HydrophobicContact CG-CD2 4.48Å; R150-F154 HydrophobicContact CG-CE1 4.27Å; R150-F154 HydrophobicContact CG-CE2 3.64Å; R150-F154 HydrophobicContact CG-CZ 3.53Å
151S91.5Very high94.2Very high85 Ų8551.9 Ų51.959%0.59427%0.268SS*.Hα-helixtrans-64.3-27.5-179.367.60000112.2T147 I148 G153T147-S151 PolarHBondContact O-N 2.88Å; I148-S151 PolarHBondContact O-N 2.79Å; I148-S151 VanDerWaalsContact O-N 3.13Å; I148-S151 PolarHBondContact O-OG 3.33Å; S151-G153 PolarHBondContact O-N 3.24Å
152L90.7Very high94.2Very high89 Ų8950.3 Ų50.347%0.46626%0.257SS..THydrogen-bonded Turntrans-8110.9171.1-61.1174.5000113.9I148 R150 T158 V235I148-L152 HydrophobicContact CG2-CD1 4.18Å; I148-L152 WeakPolarHBondContact O-CG 3.35Å; I148-L152 PolarHBondContact O-N 2.9Å; I148-L152 VanDerWaalsContact O-N 3.11Å; R150-L152 PolarHBondContact O-N 2.81Å; L152-T158 HydrophobicContact CD1-CG2 4.37Å; L152-V235 HydrophobicContact CD1-CG1 4.48Å; L152-V235 HydrophobicContact CD1-CG2 3.65Å
153G91.4Very high94.1Very high59 Ų5946.5 Ų46.561%0.60824%0.244SC*.THydrogen-bonded Turntrans79.115.617400000115.4R150 S151 K155R150-G153 WeakPolarHBondContact O-CA 3.46Å; R150-G153 PolarHBondContact O-N 2.86Å; S151-G153 PolarHBondContact O-N 3.24Å; G153-K155 PolarHBondContact O-N 2.87Å
154F91.7Very high93.8Very high41 Ų4140.9 Ų40.918%0.1822%0.22CC..THydrogen-bonded Turntrans50.541.1-174.6-60.1-64.4000113.8L149 R150 D156 K179 V181L149-F154 WeakPolarHBondContact O-CA 3.37Å; L149-F154 PolarHBondContact O-N 2.78Å; R150-F154 HydrophobicContact CB-CD1 4.44Å; R150-F154 HydrophobicContact CB-CE1 3.67Å; R150-F154 HydrophobicContact CB-CE2 3.97Å; R150-F154 HydrophobicContact CB-CZ 3.42Å; R150-F154 VanDerWaalsContact CB-CZ 3.42Å; R150-F154 HydrophobicContact CG-CD2 4.48Å; R150-F154 HydrophobicContact CG-CE1 4.27Å; R150-F154 HydrophobicContact CG-CE2 3.64Å; R150-F154 HydrophobicContact CG-CZ 3.53Å; F154-D156 PolarHBondContact O-N 3.26Å; F154-D156 VanDerWaalsContact O-N 3.11Å; F154-K179 HydrophobicContact CB-CB 4.46Å; F154-K179 HydrophobicContact CD2-CB 4.13Å; F154-K179 HydrophobicContact CG-CB 4.49Å; F154-V181 HydrophobicContact CD1-CG2 4.05Å; F154-V181 HydrophobicContact CE1-CG2 3.69Å
155K94.3Very high93.4Very high122 Ų12245 Ų4553%0.5324%0.238SC..  trans-56.6120.1174.9178-178.8-174.6-178.70109.7G153 G157 T158 D233G153-K155 PolarHBondContact O-N 2.87Å; K155-G157 PolarHBondContact O-N 2.95Å; K155-T158 WeakPolarHBondContact CB-OG1 3.45Å; K155-T158 WeakPolarHBondContact O-CB 3.39Å; K155-T158 PolarHBondContact O-N 3.44Å; K155-T158 PolarHBondContact O-OG1 2.88Å; K155-D233 VanDerWaalsContact CE-OD2 3.3Å; K155-D233 WeakPolarHBondContact CE-OD2 3.42Å; K155-D233 IonicContact NZ-OD2 2.66Å; K155-D233 PolarHBondContact NZ-OD2 3.3Å
156D96.6Very high92.8Very high89 Ų8950.2 Ų50.248%0.47627%0.269SS..THydrogen-bonded Turntrans-55.7131.2-177.6-80.3-0.3000110.9F154 T158 K178 I229F154-D156 PolarHBondContact O-N 3.26Å; F154-D156 VanDerWaalsContact O-N 3.11Å; D156-T158 VanDerWaalsContact C-N 3.31Å; D156-K178 PolarHBondContact OD1-N 2.92Å; D156-I229 HydrophobicContact CB-CD1 4.14Å
157G96.2Very high91.9Very high3 Ų354.9 Ų54.93%0.03128%0.284CS..THydrogen-bonded Turntrans91.9-11.8-178.600000113.3K155 F159 A176 I229 G232K155-G157 PolarHBondContact O-N 2.95Å; G157-F159 PolarHBondContact O-N 3.47Å; G157-A176 PolarHBondContact N-O 2.95Å; G157-I229 VanDerWaalsContact CA-CD1 3.48Å; G157-G232 WeakPolarHBondContact O-CA 3.22Å; G157-G232 PolarHBondContact O-N 3.27Å
158T96.4Very high91Very high7 Ų760.9 Ų60.94%0.04331%0.309CS..  trans-65.5128.4176.9-50.70000110.4L149 L152 K155 D156 A176 D233 V235L149-T158 HydrophobicContact CD2-CG2 3.73Å; L152-T158 HydrophobicContact CD1-CG2 4.37Å; K155-T158 WeakPolarHBondContact CB-OG1 3.45Å; K155-T158 WeakPolarHBondContact O-CB 3.39Å; K155-T158 PolarHBondContact O-N 3.44Å; K155-T158 PolarHBondContact O-OG1 2.88Å; D156-T158 VanDerWaalsContact C-N 3.31Å; T158-A176 PolarHBondContact O-N 3.37Å; T158-D233 CarbonylContact C-O 3.57Å; T158-D233 VanDerWaalsContact CA-O 3.24Å; T158-D233 WeakPolarHBondContact CA-O 3.41Å; T158-V235 HydrophobicContact CG2-CG2 4.16Å
159F97.5Very high90.1Very high0 Ų062 Ų620%032%0.321CS..EExtended strand (participates in β ladder)trans-136.4166.1-175.978.3-81.8000114.1W135 G157 L173 S174 L175 V216 L231 D233 Y234 V235W135-F159 HydrophobicContact CB-CE2 3.94Å; W135-F159 HydrophobicContact CB-CZ 4.21Å; W135-F159 HydrophobicContact CD2-CE2 4.47Å; W135-F159 HydrophobicContact CG-CE2 4.15Å; W135-F159 HydrophobicContact CG-CZ 4.35Å; G157-F159 PolarHBondContact O-N 3.47Å; F159-L173 HydrophobicContact CB-CD1 3.96Å; F159-L173 HydrophobicContact CD2-CD1 3.69Å; F159-L173 HydrophobicContact CG-CD1 4.17Å; F159-S174 CarbonylContact C-O 3.53Å; F159-S174 VanDerWaalsContact CA-O 3.23Å; F159-S174 WeakPolarHBondContact CA-O 3.44Å; F159-L175 HydrophobicContact CB-CD1 3.95Å; F159-V216 HydrophobicContact CE2-CG1 4Å; F159-V216 HydrophobicContact CE2-CG2 4.14Å; F159-V216 HydrophobicContact CZ-CG1 3.66Å; F159-L231 HydrophobicContact CB-CD2 4Å; F159-L231 HydrophobicContact CD1-CB 3.75Å; F159-L231 HydrophobicContact CD1-CD1 4.42Å; F159-L231 HydrophobicContact CD1-CD2 4.15Å; F159-L231 HydrophobicContact CD1-CG 4.31Å; F159-L231 HydrophobicContact CD2-CD1 4.2Å; F159-L231 HydrophobicContact CD2-CD2 4.46Å; F159-L231 HydrophobicContact CE1-CB 3.8Å; F159-L231 HydrophobicContact CE1-CD1 4.38Å; F159-L231 HydrophobicContact CE2-CD1 4.16Å; F159-L231 HydrophobicContact CG-CB 4.37Å; F159-L231 HydrophobicContact CG-CD1 4.35Å; F159-L231 HydrophobicContact CG-CD2 3.95Å; F159-L231 HydrophobicContact CG-CG 4.44Å; F159-L231 HydrophobicContact CZ-CB 4.43Å; F159-L231 HydrophobicContact CZ-CD1 4.25Å; F159-D233 WeakPolarHBondContact CD1-O 3.35Å; F159-D233 PolarHBondContact N-O 2.9Å; F159-Y234 HydrophobicContact CE1-CD1 4.48Å; F159-Y234 HydrophobicContact CZ-CD1 4.48Å; F159-Y234 VanDerWaalsContact O-CA 3.24Å; F159-Y234 WeakPolarHBondContact O-CA 3.47Å; F159-V235 PolarHBondContact O-N 3.47Å
160L96.2Very high89.8Confident0 Ų062.7 Ų62.70%033%0.326CS..EExtended strand (participates in β ladder)trans-148.2154.4164.164.186000109.4L140 A145 L149 R162 S174 V235L140-L160 HydrophobicContact CD1-CD1 4.31Å; L140-L160 HydrophobicContact CD1-CD2 4.13Å; A145-L160 HydrophobicContact CB-CD1 3.94Å; A145-L160 HydrophobicContact CB-CD2 4.08Å; A145-L160 HydrophobicContact CB-CG 4.48Å; L149-L160 HydrophobicContact CG-CD2 4.43Å; L160-R162 HydrophobicContact CD1-CB 4.03Å; L160-R162 HydrophobicContact CD1-CG 4.29Å; L160-S174 PolarHBondContact N-O 3.49Å; L160-S174 PolarHBondContact O-N 2.85Å; L160-V235 HydrophobicContact CB-CB 4.09Å; L160-V235 HydrophobicContact CB-CG2 4.29Å; L160-V235 HydrophobicContact CD2-CB 4.13Å; L160-V235 HydrophobicContact CD2-CG1 4.43Å; L160-V235 HydrophobicContact CD2-CG2 3.97Å
161I95.8Very high89.8Confident0 Ų056.8 Ų56.80%030%0.304CS..EExtended strand (participates in β ladder)trans-110.8131.9169.3-63.9-177.1000108.4W135 F136 H137 F171 V172 L173 I186 L212 L215 V216W135-I161 HydrophobicContact CE3-CB 3.85Å; W135-I161 HydrophobicContact CE3-CD1 3.87Å; W135-I161 HydrophobicContact CE3-CG1 4Å; W135-I161 HydrophobicContact CH2-CD1 4.38Å; W135-I161 HydrophobicContact CZ3-CB 3.92Å; W135-I161 HydrophobicContact CZ3-CD1 3.58Å; W135-I161 HydrophobicContact CZ3-CG1 4.1Å; W135-I161 HydrophobicContact CZ3-CG2 4.42Å; W135-I161 PolarHBondContact O-N 3.25Å; F136-I161 CarbonylContact C-O 3.58Å; F136-I161 WeakPolarHBondContact CA-O 3.39Å; F136-I161 HydrophobicContact CD2-CB 4.4Å; F136-I161 HydrophobicContact CD2-CG2 3.99Å; F136-I161 HydrophobicContact CE2-CG2 4.31Å; H137-I161 PolarHBondContact N-O 3.43Å; I161-F171 HydrophobicContact CG2-CB 3.98Å; I161-V172 WeakPolarHBondContact CA-O 3.32Å; I161-L173 HydrophobicContact CD1-CD1 4.46Å; I161-L173 HydrophobicContact CG1-CB 4.39Å; I161-L173 HydrophobicContact CG1-CD1 3.91Å; I161-I186 HydrophobicContact CD1-CD1 3.85Å; I161-I186 HydrophobicContact CG1-CD1 4.31Å; I161-I186 HydrophobicContact CG2-CD1 4.04Å; I161-L212 HydrophobicContact CG2-CD1 4.17Å; I161-L215 HydrophobicContact CD1-CD2 4.46Å; I161-V216 HydrophobicContact CD1-CG2 3.43Å; I161-V216 VanDerWaalsContact CD1-CG2 3.43Å
162R93.9Very high90Very high17 Ų1753.3 Ų53.36%0.06428%0.279CS..EExtended strand (participates in β ladder)trans-125.3156.517965.5-172.9-174.472.75.5112.2H137 L140 L160 F171 V172H137-R162 WeakPolarHBondContact O-CA 3.46Å; L140-R162 HydrophobicContact CB-CB 4.16Å; L140-R162 WeakPolarHBondContact O-CD 3.44Å; L160-R162 HydrophobicContact CD1-CB 4.03Å; L160-R162 HydrophobicContact CD1-CG 4.29Å; R162-F171 CarbonylContact O-C 3.54Å; R162-F171 WeakPolarHBondContact O-CA 3.48Å; R162-V172 HydrophobicContact CG-CB 4.04Å; R162-V172 PolarHBondContact N-O 3.5Å; R162-V172 PolarHBondContact O-N 3.24Å
163K91.2Very high90.3Very high84 Ų8449 Ų4937%0.36526%0.257SS..EExtended strand (participates in β ladder)trans-64.3141.9169.3-161.2173.8-175.3174.40110.2H137 E138H137-K163 PolarHBondContact O-N 3.19Å; E138-K163 HydrophobicContact CG-CD 3.81Å; E138-K163 WeakPolarHBondContact O-CB 3.26Å; E138-K163 IonicContact OE1-NZ 2.62Å; E138-K163 PolarHBondContact OE1-NZ 2.87Å
164S88.8Confident90.5Very high10 Ų1046.2 Ų46.27%0.0723%0.228CC..  trans-81124.3173.3-174.80000110.4T166 W167 C170S164-T166 PolarHBondContact OG-N 3.33Å; S164-T166 PolarHBondContact OG-OG1 2.96Å; S164-T166 VanDerWaalsContact OG-OG1 3.13Å; S164-W167 WeakPolarHBondContact CB-O 3.37Å; S164-W167 PolarHBondContact OG-N 2.85Å; S164-C170 WeakPolarHBondContact CB-O 3.14Å; S164-C170 PolarHBondContact N-O 3.47Å
165H84.5Confident90.8Very high120 Ų12044.3 Ų44.356%0.55622%0.219SC*.SBendtrans-77.5-23.3172.1-67.9-85.2000112.7L140L140-H165 PolarHBondContact O-NE2 3.25Å
166T80.9Confident91Very high109 Ų10938.5 Ų38.567%0.66919%0.194SC*.SBendtrans-85.8-29.3-17854.60000112.6S164S164-T166 PolarHBondContact OG-N 3.33Å; S164-T166 PolarHBondContact OG-OG1 2.96Å; S164-T166 VanDerWaalsContact OG-OG1 3.13Å
167W75.9Confident91Very high129 Ų12934.5 Ų34.549%0.48917%0.173SC..SBendtrans-131.1110.2-178.7-74-71.1000110.5F49 S164 G169 C170F49-W167 HydrophobicContact CE1-CZ2 4.28Å; S164-W167 WeakPolarHBondContact CB-O 3.37Å; S164-W167 PolarHBondContact OG-N 2.85Å; W167-G169 PolarHBondContact O-N 2.68Å; W167-C170 HydrophobicContact CB-CB 3.82Å; W167-C170 PolarHBondContact O-N 3.24Å; W167-C170 VanDerWaalsContact O-N 3.13Å
168Q76.7Confident90.9Very high170 Ų17042.3 Ų42.379%0.79421%0.206SC*.THydrogen-bonded Turntrans-57.5132.7175.4-62.6179.51200110.2C170Q168-C170 VanDerWaalsContact C-N 3.25Å; Q168-C170 PolarHBondContact O-N 2.81Å
169G75.4Confident90.8Very high26 Ų2650 Ų5027%0.26824%0.239SC..THydrogen-bonded Turntrans78.7-3.5-179.100000115.6W167W167-G169 PolarHBondContact O-N 2.68Å
170C86Confident90.7Very high16 Ų1653.4 Ų53.411%0.10826%0.26CS..  trans-95.1156.1172.6-64.60000111.2S164 W167 Q168S164-C170 WeakPolarHBondContact CB-O 3.14Å; S164-C170 PolarHBondContact N-O 3.47Å; W167-C170 HydrophobicContact CB-CB 3.82Å; W167-C170 PolarHBondContact O-N 3.24Å; W167-C170 VanDerWaalsContact O-N 3.13Å; Q168-C170 VanDerWaalsContact C-N 3.25Å; Q168-C170 PolarHBondContact O-N 2.81Å
171F93.8Very high90.8Very high17 Ų1754.6 Ų54.68%0.07527%0.267CS..EExtended strand (participates in β ladder)trans-119167.6176.1-52.8-77.7000110.2F136 I161 R162 I186 Y200 L212F136-F171 AromaticContact CE2-CD1 3.55Å; F136-F171 HydrophobicContact CE2-CD1 3.55Å; F136-F171 AromaticContact CE2-CE1 3.59Å; F136-F171 HydrophobicContact CE2-CE1 3.59Å; F136-F171 HydrophobicContact CZ-CD1 4.06Å; F136-F171 AromaticContact CZ-CE1 3.74Å; F136-F171 HydrophobicContact CZ-CE1 3.74Å; I161-F171 HydrophobicContact CG2-CB 3.98Å; R162-F171 CarbonylContact O-C 3.54Å; R162-F171 WeakPolarHBondContact O-CA 3.48Å; F171-I186 HydrophobicContact CB-CB 4.08Å; F171-I186 HydrophobicContact CB-CD1 4.11Å; F171-I186 PolarHBondContact N-O 3.36Å; F171-I186 PolarHBondContact O-N 3.36Å; F171-Y200 HydrophobicContact CD2-CD1 4.32Å; F171-Y200 AromaticContact CD2-CE1 3.96Å; F171-Y200 HydrophobicContact CD2-CE1 3.96Å; F171-Y200 HydrophobicContact CE2-CD1 4.43Å; F171-Y200 AromaticContact CE2-CE1 3.65Å; F171-Y200 HydrophobicContact CE2-CE1 3.65Å; F171-L212 HydrophobicContact CB-CD1 4.34Å; F171-L212 HydrophobicContact CD1-CD1 4.06Å; F171-L212 HydrophobicContact CD2-CD1 3.65Å; F171-L212 HydrophobicContact CD2-CD2 3.8Å; F171-L212 HydrophobicContact CD2-CG 4.17Å; F171-L212 HydrophobicContact CE1-CD1 4.23Å; F171-L212 HydrophobicContact CE2-CD1 3.83Å; F171-L212 HydrophobicContact CE2-CD2 4.29Å; F171-L212 HydrophobicContact CE2-CG 4.3Å; F171-L212 HydrophobicContact CG-CD1 3.74Å; F171-L212 HydrophobicContact CG-CD2 4.41Å; F171-L212 HydrophobicContact CZ-CD1 4.11Å
172V95.3Very high90.8Very high11 Ų1158 Ų587%0.06728%0.283CS..EExtended strand (participates in β ladder)trans-135.9122.2177.3-1760000108.8I161 R162 H183 Y184I161-V172 WeakPolarHBondContact CA-O 3.32Å; R162-V172 HydrophobicContact CG-CB 4.04Å; R162-V172 PolarHBondContact N-O 3.5Å; R162-V172 PolarHBondContact O-N 3.24Å; V172-H183 HydrophobicContact CG1-CB 3.89Å; V172-Y184 CarbonylContact C-O 3.48Å; V172-Y184 WeakPolarHBondContact CA-O 3.27Å
173L96.9Very high90.9Very high0 Ų059 Ų590%029%0.288CS..EExtended strand (participates in β ladder)trans-79.9122.5166.6170.469.4000108.5F159 I161 H183 Y184 I186 I202 L227 L231F159-L173 HydrophobicContact CB-CD1 3.96Å; F159-L173 HydrophobicContact CD2-CD1 3.69Å; F159-L173 HydrophobicContact CG-CD1 4.17Å; I161-L173 HydrophobicContact CD1-CD1 4.46Å; I161-L173 HydrophobicContact CG1-CB 4.39Å; I161-L173 HydrophobicContact CG1-CD1 3.91Å; L173-H183 CarbonylContact O-C 3.59Å; L173-H183 WeakPolarHBondContact O-CA 3.49Å; L173-Y184 HydrophobicContact CD2-CD2 4.17Å; L173-Y184 HydrophobicContact CG-CD2 4.39Å; L173-Y184 PolarHBondContact N-O 2.9Å; L173-Y184 PolarHBondContact O-N 3.5Å; L173-I186 HydrophobicContact CB-CD1 4.17Å; L173-I186 HydrophobicContact CB-CG1 4.4Å; L173-I202 HydrophobicContact CB-CD1 4.38Å; L173-I202 HydrophobicContact CD2-CD1 3.7Å; L173-L227 HydrophobicContact CD2-CD1 4.03Å; L173-L227 HydrophobicContact CD2-CD2 4.08Å; L173-L231 HydrophobicContact CD1-CD1 4.41Å; L173-L231 HydrophobicContact CD1-CD2 4.07Å; L173-L231 HydrophobicContact CD2-CD2 4.11Å
174S97Very high91.2Very high0 Ų056.9 Ų56.90%028%0.278CS..EExtended strand (participates in β ladder)trans-108.5121171.4-53.50000108.5F159 L160 H182 H183F159-S174 CarbonylContact C-O 3.53Å; F159-S174 VanDerWaalsContact CA-O 3.23Å; F159-S174 WeakPolarHBondContact CA-O 3.44Å; L160-S174 PolarHBondContact N-O 3.49Å; L160-S174 PolarHBondContact O-N 2.85Å; S174-H182 CarbonylContact C-O 3.52Å; S174-H182 WeakPolarHBondContact CA-O 3.4Å; S174-H183 PolarHBondContact OG-ND1 3.27Å
175L97.9Very high91.4Very high0 Ų059.8 Ų59.80%030%0.296CS..EExtended strand (participates in β ladder)trans-126.6128.6-171.2177.164.8000110.5F159 V177 V181 H182 Y184 I229 L231F159-L175 HydrophobicContact CB-CD1 3.95Å; L175-V177 HydrophobicContact CD2-CG2 3.86Å; L175-V177 HydrophobicContact CG-CG2 3.74Å; L175-V181 WeakPolarHBondContact O-CA 3.39Å; L175-H182 PolarHBondContact N-O 3.35Å; L175-H182 PolarHBondContact O-N 2.93Å; L175-Y184 HydrophobicContact CB-CE2 4.17Å; L175-Y184 HydrophobicContact CD2-CE2 4.21Å; L175-I229 HydrophobicContact CD2-CG1 4.18Å; L175-L231 HydrophobicContact CD1-CD2 3.76Å; L175-L231 HydrophobicContact CD2-CD2 4.36Å
176A97.5Very high91.9Very high0 Ų054 Ų540%027%0.27CS..EExtended strand (participates in β ladder)trans-83.2126.217300000111.2L149 G157 T158 T180L149-A176 HydrophobicContact CD2-CB 4.34Å; G157-A176 PolarHBondContact N-O 2.95Å; T158-A176 PolarHBondContact O-N 3.37Å; A176-T180 WeakPolarHBondContact CA-O 3.45Å
177V97Very high92.3Very high6 Ų651.8 Ų51.84%0.03625%0.253CS..EExtended strand (participates in β ladder)trans-146123.3179.8-1690000108.7L175 K179 T180 P228 I229L175-V177 HydrophobicContact CD2-CG2 3.86Å; L175-V177 HydrophobicContact CG-CG2 3.74Å; V177-K179 VanDerWaalsContact C-N 3.32Å; V177-K179 PolarHBondContact O-N 3.03Å; V177-T180 PolarHBondContact N-O 3.48Å; V177-T180 WeakPolarHBondContact O-CA 3.49Å; V177-T180 PolarHBondContact O-N 2.87Å; V177-T180 PolarHBondContact O-OG1 2.69Å; V177-P228 HydrophobicContact CB-CG 4.33Å; V177-P228 HydrophobicContact CG1-CB 4.28Å; V177-P228 HydrophobicContact CG1-CG 3.91Å; V177-P228 HydrophobicContact CG2-CG 3.69Å; V177-I229 HydrophobicContact CB-CD1 4.42Å; V177-I229 HydrophobicContact CG1-CD1 4.22Å; V177-I229 HydrophobicContact CG2-CD1 3.9Å; V177-I229 HydrophobicContact CG2-CG1 4.04Å
178K94.9Very high92.9Very high166 Ų16648.4 Ų48.472%0.72224%0.24SC*.THydrogen-bonded Turntrans4949175.2-62.2177.9-179.5-177.50113D156 T180D156-K178 PolarHBondContact OD1-N 2.92Å; K178-T180 PolarHBondContact O-N 2.88Å
179K94.2Very high93.3Very high169 Ų16942.1 Ų42.174%0.73521%0.212SC*.THydrogen-bonded Turntrans63.514.8-177.5-52.5-178.5179.4-178.90115.4F154 V177F154-K179 HydrophobicContact CB-CB 4.46Å; F154-K179 HydrophobicContact CD2-CB 4.13Å; F154-K179 HydrophobicContact CG-CB 4.49Å; V177-K179 VanDerWaalsContact C-N 3.32Å; V177-K179 PolarHBondContact O-N 3.03Å
180T96Very high93.7Very high71 Ų7145 Ų4544%0.43622%0.217SC..EExtended strand (participates in β ladder)trans-123.7150.7176.467.10000110.7A176 V177 K178 H182A176-T180 WeakPolarHBondContact CA-O 3.45Å; V177-T180 PolarHBondContact N-O 3.48Å; V177-T180 WeakPolarHBondContact O-CA 3.49Å; V177-T180 PolarHBondContact O-N 2.87Å; V177-T180 PolarHBondContact O-OG1 2.69Å; K178-T180 PolarHBondContact O-N 2.88Å; T180-H182 PolarHBondContact OG1-NE2 3.16Å
181V96.9Very high93.5Very high25 Ų2547.9 Ų47.915%0.15223%0.229CC..EExtended strand (participates in β ladder)trans-106.6120.2178.3179.10000109.2T146 L149 F154 L175T146-V181 HydrophobicContact CG2-CB 4.3Å; T146-V181 HydrophobicContact CG2-CG2 4.1Å; L149-V181 HydrophobicContact CB-CG2 3.89Å; L149-V181 HydrophobicContact CD1-CB 4.42Å; L149-V181 HydrophobicContact CD1-CG1 3.61Å; L149-V181 HydrophobicContact CD1-CG2 3.88Å; F154-V181 HydrophobicContact CD1-CG2 4.05Å; F154-V181 HydrophobicContact CE1-CG2 3.69Å; L175-V181 WeakPolarHBondContact O-CA 3.39Å
182H96.8Very high92.7Very high72 Ų7254.2 Ų54.233%0.33326%0.256SS..EExtended strand (participates in β ladder)trans-98.2135.6174.1-63-89.9000109.7S174 L175 T180 Y184S174-H182 CarbonylContact C-O 3.52Å; S174-H182 WeakPolarHBondContact CA-O 3.4Å; L175-H182 PolarHBondContact N-O 3.35Å; L175-H182 PolarHBondContact O-N 2.93Å; T180-H182 PolarHBondContact OG1-NE2 3.16Å; H182-Y184 HydrophobicContact CB-CD2 4.28Å; H182-Y184 HydrophobicContact CB-CE2 3.38Å; H182-Y184 WeakPolarHBondContact CB-OH 3.47Å
183H96Very high91.5Very high38 Ų3862.9 Ų62.918%0.17629%0.293CS..EExtended strand (participates in β ladder)trans-115.2116.1178.5-54.6-83.5000109.9R142 T146 V172 L173 S174R142-H183 WeakPolarHBondContact CG-NE2 3.36Å; R142-H183 PolarHBondContact NE-CD2 3.4Å; R142-H183 PolarHBondContact NE-NE2 3.31Å; T146-H183 PolarHBondContact OG1-NE2 3.4Å; V172-H183 HydrophobicContact CG1-CB 3.89Å; L173-H183 CarbonylContact O-C 3.59Å; L173-H183 WeakPolarHBondContact O-CA 3.49Å; S174-H183 PolarHBondContact OG-ND1 3.27Å
184Y95.8Very high89.9Confident40 Ų4067 Ų6716%0.15733%0.327CS..EExtended strand (participates in β ladder)trans-107.5116.4-178.1-58.4-87.1000109.5V172 L173 L175 H182 I186 I202 L227 P228V172-Y184 CarbonylContact C-O 3.48Å; V172-Y184 WeakPolarHBondContact CA-O 3.27Å; L173-Y184 HydrophobicContact CD2-CD2 4.17Å; L173-Y184 HydrophobicContact CG-CD2 4.39Å; L173-Y184 PolarHBondContact N-O 2.9Å; L173-Y184 PolarHBondContact O-N 3.5Å; L175-Y184 HydrophobicContact CB-CE2 4.17Å; L175-Y184 HydrophobicContact CD2-CE2 4.21Å; H182-Y184 HydrophobicContact CB-CD2 4.28Å; H182-Y184 HydrophobicContact CB-CE2 3.38Å; H182-Y184 WeakPolarHBondContact CB-OH 3.47Å; Y184-I186 PolarHBondContact O-N 2.85Å; Y184-I202 HydrophobicContact CD1-CG2 4.27Å; Y184-I202 HydrophobicContact CG-CG2 4.38Å; Y184-L227 HydrophobicContact CD1-CD2 3.9Å; Y184-L227 HydrophobicContact CD2-CD2 3.75Å; Y184-L227 HydrophobicContact CE1-CD2 3.83Å; Y184-L227 HydrophobicContact CE2-CD2 3.68Å; Y184-L227 HydrophobicContact CG-CD2 3.86Å; Y184-P228 WeakPolarHBondContact OH-CD 3.25Å
185P94Very high88.5Confident70 Ų7069.2 Ų69.246%0.45534%0.342SS..EExtended strand (participates in β ladder)trans-66.9128.6174.528-32000109.7
186I94.1Very high87.4Confident0 Ų075.6 Ų75.60%038%0.377CS..EExtended strand (participates in β ladder)trans-95.7107.3169.5-55170.4000106.3I161 F171 L173 Y184 Y200 I202 L212 L215I161-I186 HydrophobicContact CD1-CD1 3.85Å; I161-I186 HydrophobicContact CG1-CD1 4.31Å; I161-I186 HydrophobicContact CG2-CD1 4.04Å; F171-I186 HydrophobicContact CB-CB 4.08Å; F171-I186 HydrophobicContact CB-CD1 4.11Å; F171-I186 PolarHBondContact N-O 3.36Å; F171-I186 PolarHBondContact O-N 3.36Å; L173-I186 HydrophobicContact CB-CD1 4.17Å; L173-I186 HydrophobicContact CB-CG1 4.4Å; Y184-I186 PolarHBondContact O-N 2.85Å; I186-Y200 HydrophobicContact CG2-CD1 4.07Å; I186-Y200 HydrophobicContact CG2-CG 4.4Å; I186-I202 HydrophobicContact CG1-CD1 4.16Å; I186-I202 HydrophobicContact CG1-CG1 3.78Å; I186-L212 HydrophobicContact CD1-CD2 4.2Å; I186-L212 HydrophobicContact CG2-CD2 3.89Å; I186-L215 HydrophobicContact CD1-CD1 4.32Å; I186-L215 HydrophobicContact CD1-CD2 4.27Å; I186-L215 HydrophobicContact CG1-CD1 4.39Å; I186-L215 HydrophobicContact CG2-CD1 3.7Å
187I89.8Confident86.7Confident61 Ų6180.7 Ų80.731%0.31340%0.399SS..EExtended strand (participates in β ladder)trans-93.5152.7-179.962168000110.3I189 Y200 S201I187-I189 HydrophobicContact CD1-CD1 4.19Å; I187-I189 HydrophobicContact CD1-CG1 4.16Å; I187-I189 HydrophobicContact CG1-CD1 4.48Å; I187-I189 HydrophobicContact CG1-CG1 4.32Å; I187-Y200 WeakPolarHBondContact O-CA 3.2Å; I187-S201 WeakPolarHBondContact CG1-O 3.46Å; I187-S201 PolarHBondContact N-O 3.16Å; I187-S201 PolarHBondContact O-N 2.79Å
188W88Confident86.2Confident58 Ų5881 Ų8122%0.2240%0.4CS..EExtended strand (participates in β ladder)trans-98.9140.6170.262.3-93.5000110.5L45 K190 V198 F199 Y200L45-W188 HydrophobicContact CD1-CE3 4.48Å; L45-W188 HydrophobicContact CD1-CH2 4.07Å; L45-W188 HydrophobicContact CD1-CZ2 4.41Å; L45-W188 HydrophobicContact CD1-CZ3 4.09Å; W188-K190 HydrophobicContact CE3-CG 4.08Å; W188-K190 HydrophobicContact CZ3-CD 3.76Å; W188-K190 HydrophobicContact CZ3-CG 3.74Å; W188-V198 HydrophobicContact CB-CG1 3.63Å; W188-V198 HydrophobicContact CD2-CG1 4.49Å; W188-V198 HydrophobicContact CE3-CG1 4.14Å; W188-V198 HydrophobicContact CG-CG1 4.35Å; W188-F199 CarbonylContact C-O 3.59Å; W188-F199 WeakPolarHBondContact CA-O 3.11Å; W188-Y200 HydrophobicContact CB-CD1 4.36Å; W188-Y200 HydrophobicContact CB-CE1 4.21Å
189I86.1Confident86Confident38 Ų3874 Ų7420%0.19537%0.37CS..EExtended strand (participates in β ladder)trans-128.5124-176-56.6174.6000108I187 V198 F199I187-I189 HydrophobicContact CD1-CD1 4.19Å; I187-I189 HydrophobicContact CD1-CG1 4.16Å; I187-I189 HydrophobicContact CG1-CD1 4.48Å; I187-I189 HydrophobicContact CG1-CG1 4.32Å; I189-V198 WeakPolarHBondContact O-CA 3.44Å; I189-F199 PolarHBondContact N-O 3.2Å; I189-F199 PolarHBondContact O-N 3.39Å
190K84.6Confident85.9Confident86 Ų8666.6 Ų66.637%0.37434%0.338SS..EExtended strand (participates in β ladder)trans-88.7125.3171.6-77.8-177.8-178.4-155.20110.1E122 W188 V198E122-K190 IonicContact OE2-NZ 3.37Å; W188-K190 HydrophobicContact CE3-CG 4.08Å; W188-K190 HydrophobicContact CZ3-CD 3.76Å; W188-K190 HydrophobicContact CZ3-CG 3.74Å; K190-V198 HydrophobicContact CD-CG2 4.28Å; K190-V198 HydrophobicContact CG-CG2 3.65Å
191E81.6Confident85.7Confident78 Ų7863.2 Ų63.236%0.36432%0.317SS..  trans-89.2118.5175.8-175.1167.1-14100110.9K193 K197 F199E191-K193 VanDerWaalsContact C-N 3.25Å; E191-K193 HydrophobicContact CG-CB 4.5Å; E191-K193 PolarHBondContact O-N 2.8Å; E191-K197 PolarHBondContact N-O 3.38Å; E191-F199 HydrophobicContact CB-CD2 4.31Å; E191-F199 HydrophobicContact CB-CE2 3.92Å; E191-F199 WeakPolarHBondContact OE2-CE2 3.06Å
192K76.3Confident85.6Confident150 Ų15063 Ų6365%0.65232%0.315SS*.THydrogen-bonded Turntrans-72.1-10.1-175.2-66-175.8176-177.60114.8G41 D42G41-K192 PolarHBondContact O-NZ 3.28Å; D42-K192 PolarHBondContact O-NZ 2.88Å
193K70.5Confident85.4Confident193 Ų19361 Ų6184%0.83931%0.306SS*.THydrogen-bonded Turntrans-101.5-11.2-156.9-73.7-169.5176-175.50117.5E191E191-K193 VanDerWaalsContact C-N 3.25Å; E191-K193 HydrophobicContact CG-CB 4.5Å; E191-K193 PolarHBondContact O-N 2.8Å
194A62.2Low85Confident87 Ų8762 Ų6272%0.71933%0.327SS*.THydrogen-bonded Turntrans-154.2-12.9-174.100000116.8
195S68.2Low84.6Confident45 Ų4560.6 Ų60.632%0.31533%0.325SS..SBendtrans175.3149.5-177.842.60000106.4K197S195-K197 PolarHBondContact O-N 3.48Å; S195-K197 WeakPolarHBondContact OG-CD 3.5Å; S195-K197 WeakPolarHBondContact OG-CE 3.46Å; S195-K197 WeakPolarHBondContact OG-CG 3.17Å
196D74.8Confident84.5Confident135 Ų13565.8 Ų65.872%0.72234%0.341SS*.  trans-67.452.9172.2-84.5-31.7000112
197K83.1Confident84.4Confident107 Ų10767.4 Ų67.447%0.46535%0.351SS..  trans-85.1128.2177.5-75.7177.1-168.9164.80108.8E191 S195 F199E191-K197 PolarHBondContact N-O 3.38Å; S195-K197 PolarHBondContact O-N 3.48Å; S195-K197 WeakPolarHBondContact OG-CD 3.5Å; S195-K197 WeakPolarHBondContact OG-CE 3.46Å; S195-K197 WeakPolarHBondContact OG-CG 3.17Å; K197-F199 HydrophobicContact CB-CE2 3.87Å; K197-F199 HydrophobicContact CB-CZ 4.18Å
198V85.8Confident84.5Confident11 Ų1169.2 Ų69.27%0.06736%0.356CS..EExtended strand (participates in β ladder)trans-98.4127.3173.3177.40000108.7R126 W188 I189 K190R126-V198 VanDerWaalsContact NH1-CB 3.32Å; R126-V198 PolarHBondContact NH1-O 2.91Å; R126-V198 PolarHBondContact NH2-O 2.83Å; W188-V198 HydrophobicContact CB-CG1 3.63Å; W188-V198 HydrophobicContact CD2-CG1 4.49Å; W188-V198 HydrophobicContact CE3-CG1 4.14Å; W188-V198 HydrophobicContact CG-CG1 4.35Å; I189-V198 WeakPolarHBondContact O-CA 3.44Å; K190-V198 HydrophobicContact CD-CG2 4.28Å; K190-V198 HydrophobicContact CG-CG2 3.65Å
199F90.5Very high84.7Confident21 Ų2167.2 Ų67.29%0.09235%0.349CS..EExtended strand (participates in β ladder)trans-112.7153.8176.1-63.3-88.3000111.2W188 I189 E191 K197 K208 F209 H210W188-F199 CarbonylContact C-O 3.59Å; W188-F199 WeakPolarHBondContact CA-O 3.11Å; I189-F199 PolarHBondContact N-O 3.2Å; I189-F199 PolarHBondContact O-N 3.39Å; E191-F199 HydrophobicContact CB-CD2 4.31Å; E191-F199 HydrophobicContact CB-CE2 3.92Å; E191-F199 WeakPolarHBondContact OE2-CE2 3.06Å; K197-F199 HydrophobicContact CB-CE2 3.87Å; K197-F199 HydrophobicContact CB-CZ 4.18Å; F199-K208 HydrophobicContact CB-CB 3.98Å; F199-K208 HydrophobicContact CB-CD 4.31Å; F199-K208 HydrophobicContact CB-CG 4.41Å; F199-K208 HydrophobicContact CD1-CB 4.08Å; F199-K208 HydrophobicContact CD2-CD 4.42Å; F199-K208 HydrophobicContact CG-CB 4.16Å; F199-K208 HydrophobicContact CG-CD 4.27Å; F199-F209 CarbonylContact C-O 3.6Å; F199-F209 VanDerWaalsContact CA-O 3.26Å; F199-F209 WeakPolarHBondContact CA-O 3.41Å; F199-H210 AromaticContact CE1-CE1 3.39Å; F199-H210 WeakPolarHBondContact CE1-CE1 3.33Å; F199-H210 AromaticContact CE1-ND1 3.62Å
200Y92Very high84.9Confident12 Ų1269.1 Ų69.15%0.04736%0.357CS..EExtended strand (participates in β ladder)trans-101.2143.9173-62.3-77.7000111.2R126 F171 I186 I187 W188 K208 F209 H210 L212R126-Y200 WeakPolarHBondContact CD-OH 3.43Å; R126-Y200 VanDerWaalsContact NH1-CE2 3.32Å; R126-Y200 PolarHBondContact NH1-OH 3.18Å; F171-Y200 HydrophobicContact CD2-CD1 4.32Å; F171-Y200 AromaticContact CD2-CE1 3.96Å; F171-Y200 HydrophobicContact CD2-CE1 3.96Å; F171-Y200 HydrophobicContact CE2-CD1 4.43Å; F171-Y200 AromaticContact CE2-CE1 3.65Å; F171-Y200 HydrophobicContact CE2-CE1 3.65Å; I186-Y200 HydrophobicContact CG2-CD1 4.07Å; I186-Y200 HydrophobicContact CG2-CG 4.4Å; I187-Y200 WeakPolarHBondContact O-CA 3.2Å; W188-Y200 HydrophobicContact CB-CD1 4.36Å; W188-Y200 HydrophobicContact CB-CE1 4.21Å; Y200-K208 WeakPolarHBondContact O-CA 3.49Å; Y200-F209 PolarHBondContact N-O 3.36Å; Y200-F209 WeakPolarHBondContact O-CD2 3.33Å; Y200-F209 PolarHBondContact O-N 3.34Å; Y200-H210 WeakPolarHBondContact CE2-O 3.4Å; Y200-L212 HydrophobicContact CD1-CD2 3.95Å; Y200-L212 HydrophobicContact CD2-CD2 4.35Å; Y200-L212 HydrophobicContact CE1-CD2 4.4Å; Y200-L212 HydrophobicContact CG-CD2 3.92Å
201S92.9Very high85.2Confident0 Ų066.6 Ų66.60%035%0.348CS..EExtended strand (participates in β ladder)trans-152.7144.6178.3-178.10000111.7I187 D203 G205 T207I187-S201 WeakPolarHBondContact CG1-O 3.46Å; I187-S201 PolarHBondContact N-O 3.16Å; I187-S201 PolarHBondContact O-N 2.79Å; S201-D203 PolarHBondContact OG-N 2.66Å; S201-D203 PolarHBondContact OG-OD1 3.25Å; S201-G205 WeakPolarHBondContact OG-CA 3.18Å; S201-G205 PolarHBondContact OG-N 3.48Å; S201-T207 WeakPolarHBondContact CB-O 3.22Å; S201-T207 PolarHBondContact OG-O 3.44Å
202I94Very high85.7Confident21 Ų2162.9 Ų62.911%0.10833%0.33CS..SBendtrans-95.4-28169.8-71.1174000111.3L173 Y184 I186 L215 Y219L173-I202 HydrophobicContact CB-CD1 4.38Å; L173-I202 HydrophobicContact CD2-CD1 3.7Å; Y184-I202 HydrophobicContact CD1-CG2 4.27Å; Y184-I202 HydrophobicContact CG-CG2 4.38Å; I186-I202 HydrophobicContact CG1-CD1 4.16Å; I186-I202 HydrophobicContact CG1-CG1 3.78Å; I202-L215 HydrophobicContact CD1-CD1 4.42Å; I202-L215 HydrophobicContact CD1-CD2 3.95Å; I202-L215 HydrophobicContact CG1-CD1 4.29Å; I202-Y219 HydrophobicContact CB-CE2 4.49Å; I202-Y219 HydrophobicContact CD1-CD2 4.11Å; I202-Y219 HydrophobicContact CD1-CE2 3.73Å; I202-Y219 HydrophobicContact CG1-CE2 4.37Å
203D92.2Very high86.5Confident29 Ų2957.7 Ų57.716%0.15531%0.309CS..SBendtrans-103.724.3-167.163.711.7000113.9S201 G205 K206 T207 C226S201-D203 PolarHBondContact OG-N 2.66Å; S201-D203 PolarHBondContact OG-OD1 3.25Å; D203-G205 VanDerWaalsContact C-N 3.29Å; D203-G205 PolarHBondContact O-N 3.4Å; D203-G205 PolarHBondContact OD1-N 2.92Å; D203-K206 PolarHBondContact OD1-N 3.37Å; D203-K206 WeakPolarHBondContact OD2-CB 3.44Å; D203-T207 VanDerWaalsContact CG-N 3.35Å; D203-T207 PolarHBondContact OD1-N 2.91Å; D203-T207 PolarHBondContact OD1-OG1 2.92Å; D203-T207 WeakPolarHBondContact OD2-CB 3.45Å; D203-T207 WeakPolarHBondContact OD2-CG2 3.36Å; D203-T207 PolarHBondContact OD2-N 3.39Å; D203-T207 PolarHBondContact OD2-OG1 3.24Å; D203-C226 HydrophobicContact CB-CB 4.08Å
204G87.3Confident87.5Confident60 Ų6052 Ų5262%0.61929%0.286SS*.SBendtrans7516.7-18000000114.1
205G89.5Confident89.1Confident11 Ų1147.9 Ų47.911%0.11325%0.251CS..SBendtrans101.610.9174.900000115.5S201 D203 K208S201-G205 WeakPolarHBondContact OG-CA 3.18Å; S201-G205 PolarHBondContact OG-N 3.48Å; D203-G205 VanDerWaalsContact C-N 3.29Å; D203-G205 PolarHBondContact O-N 3.4Å; D203-G205 PolarHBondContact OD1-N 2.92Å; G205-K208 WeakPolarHBondContact O-CE 3.31Å; G205-K208 PolarHBondContact O-NZ 3.11Å
206K90.1Very high90.4Very high179 Ų17946 Ų4678%0.77824%0.238SC*.SBendtrans-69.4-43.8172.1-58.7174.9179.9175.80109.9D203D203-K206 PolarHBondContact OD1-N 3.37Å; D203-K206 WeakPolarHBondContact OD2-CB 3.44Å
207T92.1Very high91.4Very high34 Ų3445.3 Ų45.321%0.20923%0.23CC..SBendtrans-108.4138.9166.457.20000109.6S201 D203 F218 Y219S201-T207 WeakPolarHBondContact CB-O 3.22Å; S201-T207 PolarHBondContact OG-O 3.44Å; D203-T207 VanDerWaalsContact CG-N 3.35Å; D203-T207 PolarHBondContact OD1-N 2.91Å; D203-T207 PolarHBondContact OD1-OG1 2.92Å; D203-T207 WeakPolarHBondContact OD2-CB 3.45Å; D203-T207 WeakPolarHBondContact OD2-CG2 3.36Å; D203-T207 PolarHBondContact OD2-N 3.39Å; D203-T207 PolarHBondContact OD2-OG1 3.24Å; T207-F218 HydrophobicContact CG2-CZ 4.5Å; T207-Y219 PolarHBondContact OG1-OH 3.49Å
208K92.7Very high91.9Very high99 Ų9942.1 Ų42.143%0.4322%0.217SC..  trans-133.2134.7-174.4-63-172.5-17169.90109.5F199 Y200 G205F199-K208 HydrophobicContact CB-CB 3.98Å; F199-K208 HydrophobicContact CB-CD 4.31Å; F199-K208 HydrophobicContact CB-CG 4.41Å; F199-K208 HydrophobicContact CD1-CB 4.08Å; F199-K208 HydrophobicContact CD2-CD 4.42Å; F199-K208 HydrophobicContact CG-CB 4.16Å; F199-K208 HydrophobicContact CG-CD 4.27Å; Y200-K208 WeakPolarHBondContact O-CA 3.49Å; G205-K208 WeakPolarHBondContact O-CE 3.31Å; G205-K208 PolarHBondContact O-NZ 3.11Å
209F92.5Very high92.5Very high15 Ų1541.6 Ų41.67%0.06621%0.214CC..BIsolated β-bridgetrans-124.7147.4-178.8-53.5-78.3000110.3F199 Y200 Q214 L215 F218 Y219F199-F209 CarbonylContact C-O 3.6Å; F199-F209 VanDerWaalsContact CA-O 3.26Å; F199-F209 WeakPolarHBondContact CA-O 3.41Å; Y200-F209 PolarHBondContact N-O 3.36Å; Y200-F209 WeakPolarHBondContact O-CD2 3.33Å; Y200-F209 PolarHBondContact O-N 3.34Å; F209-Q214 HydrophobicContact CB-CB 4.36Å; F209-Q214 HydrophobicContact CD1-CB 4.32Å; F209-L215 HydrophobicContact CB-CB 3.91Å; F209-L215 HydrophobicContact CD1-CB 4.32Å; F209-L215 HydrophobicContact CD2-CB 3.69Å; F209-L215 HydrophobicContact CD2-CD1 3.76Å; F209-L215 HydrophobicContact CD2-CG 3.68Å; F209-L215 HydrophobicContact CE2-CB 4.32Å; F209-L215 HydrophobicContact CE2-CD1 4.31Å; F209-L215 HydrophobicContact CE2-CG 3.99Å; F209-L215 HydrophobicContact CG-CB 3.68Å; F209-L215 HydrophobicContact CG-CG 4.22Å; F209-F218 HydrophobicContact CD1-CB 4.33Å; F209-F218 HydrophobicContact CE1-CB 3.4Å; F209-F218 VanDerWaalsContact CE1-CB 3.4Å; F209-F218 AromaticContact CE1-CD1 3.88Å; F209-F218 HydrophobicContact CE1-CD1 3.88Å; F209-F218 HydrophobicContact CE1-CD2 4.1Å; F209-F218 AromaticContact CE1-CG 3.52Å; F209-F218 HydrophobicContact CE1-CG 3.52Å; F209-F218 HydrophobicContact CZ-CB 3.86Å; F209-F218 AromaticContact CZ-CD1 3.46Å; F209-F218 HydrophobicContact CZ-CD1 3.46Å; F209-F218 VanDerWaalsContact CZ-CD1 3.46Å; F209-F218 HydrophobicContact CZ-CD2 4.4Å; F209-F218 HydrophobicContact CZ-CE1 4.08Å; F209-F218 AromaticContact CZ-CG 3.65Å; F209-F218 HydrophobicContact CZ-CG 3.65Å; F209-Y219 AromaticContact CE2-CE2 3.72Å; F209-Y219 HydrophobicContact CE2-CE2 3.72Å; F209-Y219 AromaticContact CZ-CE2 3.98Å; F209-Y219 HydrophobicContact CZ-CE2 3.98Å
210H89.8Confident92.7Very high78 Ų7846.9 Ų46.936%0.36123%0.233SC..SBendtrans-73.4-37.6179.6-74.8-72.7000112.6F199 Y200F199-H210 AromaticContact CE1-CE1 3.39Å; F199-H210 WeakPolarHBondContact CE1-CE1 3.33Å; F199-H210 AromaticContact CE1-ND1 3.62Å; Y200-H210 WeakPolarHBondContact CE2-O 3.4Å
211D90.3Very high92.9Very high33 Ų3351.4 Ų51.418%0.17626%0.262CS..SBendtrans-138.3176.3-178.353.845.6000109.6I213 Q214D211-I213 VanDerWaalsContact C-N 3.31Å; D211-I213 PolarHBondContact OD1-N 3.37Å; D211-I213 VanDerWaalsContact OD1-N 3.11Å; D211-Q214 VanDerWaalsContact OD1-CB 3.31Å; D211-Q214 WeakPolarHBondContact OD1-CB 3.26Å; D211-Q214 VanDerWaalsContact OD1-CG 3.28Å; D211-Q214 WeakPolarHBondContact OD1-CG 3.03Å; D211-Q214 PolarHBondContact OD1-N 2.84Å; D211-Q214 PolarHBondContact OD2-NE2 3.48Å; D211-Q214 VanDerWaalsContact OD2-NE2 3.12Å
212L93Very high92.9Very high0 Ų055 Ų550%028%0.281CS..Hα-helixtrans-75.8-22.2176.8-58.2-177.1000112.3N130 W135 F136 I161 F171 I186 Y200 L215 V216N130-L212 HydrophobicContact CB-CD1 4.22Å; N130-L212 VanDerWaalsContact OD1-CB 3.31Å; N130-L212 WeakPolarHBondContact OD1-CB 3.27Å; N130-L212 WeakPolarHBondContact OD1-CD1 3.35Å; N130-L212 WeakPolarHBondContact OD1-CG 3.37Å; W135-L212 HydrophobicContact CH2-CB 3.71Å; W135-L212 HydrophobicContact CZ3-CB 4.17Å; F136-L212 HydrophobicContact CD2-CD1 4.26Å; F136-L212 HydrophobicContact CE2-CD1 4.2Å; I161-L212 HydrophobicContact CG2-CD1 4.17Å; F171-L212 HydrophobicContact CB-CD1 4.34Å; F171-L212 HydrophobicContact CD1-CD1 4.06Å; F171-L212 HydrophobicContact CD2-CD1 3.65Å; F171-L212 HydrophobicContact CD2-CD2 3.8Å; F171-L212 HydrophobicContact CD2-CG 4.17Å; F171-L212 HydrophobicContact CE1-CD1 4.23Å; F171-L212 HydrophobicContact CE2-CD1 3.83Å; F171-L212 HydrophobicContact CE2-CD2 4.29Å; F171-L212 HydrophobicContact CE2-CG 4.3Å; F171-L212 HydrophobicContact CG-CD1 3.74Å; F171-L212 HydrophobicContact CG-CD2 4.41Å; F171-L212 HydrophobicContact CZ-CD1 4.11Å; I186-L212 HydrophobicContact CD1-CD2 4.2Å; I186-L212 HydrophobicContact CG2-CD2 3.89Å; Y200-L212 HydrophobicContact CD1-CD2 3.95Å; Y200-L212 HydrophobicContact CD2-CD2 4.35Å; Y200-L212 HydrophobicContact CE1-CD2 4.4Å; Y200-L212 HydrophobicContact CG-CD2 3.92Å; L212-L215 WeakPolarHBondContact O-CB 3.41Å; L212-L215 PolarHBondContact O-N 2.97Å; L212-V216 WeakPolarHBondContact O-CG2 3.26Å; L212-V216 PolarHBondContact O-N 3.18Å
213I92.6Very high92.9Very high41 Ų4156.3 Ų56.321%0.2129%0.29CS..Hα-helixtrans-66-52.1-178.9-59.1171.8000109.2Q133 W135 D211 L215 V216 E217Q133-I213 HydrophobicContact CG-CD1 4.41Å; Q133-I213 HydrophobicContact CG-CG1 4.11Å; W135-I213 HydrophobicContact CZ2-CG1 4.19Å; D211-I213 VanDerWaalsContact C-N 3.31Å; D211-I213 PolarHBondContact OD1-N 3.37Å; D211-I213 VanDerWaalsContact OD1-N 3.11Å; I213-L215 VanDerWaalsContact C-N 3.26Å; I213-L215 PolarHBondContact O-N 2.89Å; I213-V216 PolarHBondContact O-N 2.83Å; I213-V216 VanDerWaalsContact O-N 3.13Å; I213-E217 WeakPolarHBondContact O-CG 3.33Å; I213-E217 PolarHBondContact O-N 3.3Å
214Q93Very high92.7Very high74 Ų7456 Ų5635%0.34629%0.293SS..Hα-helixtrans-59.8-37.4175-71.6175.733.400112.1F209 D211 F218F209-Q214 HydrophobicContact CB-CB 4.36Å; F209-Q214 HydrophobicContact CD1-CB 4.32Å; D211-Q214 VanDerWaalsContact OD1-CB 3.31Å; D211-Q214 WeakPolarHBondContact OD1-CB 3.26Å; D211-Q214 VanDerWaalsContact OD1-CG 3.28Å; D211-Q214 WeakPolarHBondContact OD1-CG 3.03Å; D211-Q214 PolarHBondContact OD1-N 2.84Å; D211-Q214 PolarHBondContact OD2-NE2 3.48Å; D211-Q214 VanDerWaalsContact OD2-NE2 3.12Å; Q214-F218 VanDerWaalsContact O-CB 3.32Å; Q214-F218 WeakPolarHBondContact O-CB 3.47Å; Q214-F218 PolarHBondContact O-N 3.44Å
215L95.2Very high92.7Very high0 Ų064.4 Ų64.40%031%0.308CS..Hα-helixtrans-60.8-50.4174.9-177.5155.5000110.3I161 I186 I202 F209 L212 I213 F218 Y219I161-L215 HydrophobicContact CD1-CD2 4.46Å; I186-L215 HydrophobicContact CD1-CD1 4.32Å; I186-L215 HydrophobicContact CD1-CD2 4.27Å; I186-L215 HydrophobicContact CG1-CD1 4.39Å; I186-L215 HydrophobicContact CG2-CD1 3.7Å; I202-L215 HydrophobicContact CD1-CD1 4.42Å; I202-L215 HydrophobicContact CD1-CD2 3.95Å; I202-L215 HydrophobicContact CG1-CD1 4.29Å; F209-L215 HydrophobicContact CB-CB 3.91Å; F209-L215 HydrophobicContact CD1-CB 4.32Å; F209-L215 HydrophobicContact CD2-CB 3.69Å; F209-L215 HydrophobicContact CD2-CD1 3.76Å; F209-L215 HydrophobicContact CD2-CG 3.68Å; F209-L215 HydrophobicContact CE2-CB 4.32Å; F209-L215 HydrophobicContact CE2-CD1 4.31Å; F209-L215 HydrophobicContact CE2-CG 3.99Å; F209-L215 HydrophobicContact CG-CB 3.68Å; F209-L215 HydrophobicContact CG-CG 4.22Å; L212-L215 WeakPolarHBondContact O-CB 3.41Å; L212-L215 PolarHBondContact O-N 2.97Å; I213-L215 VanDerWaalsContact C-N 3.26Å; I213-L215 PolarHBondContact O-N 2.89Å; L215-F218 PolarHBondContact O-N 2.96Å; L215-Y219 HydrophobicContact CD2-CD2 3.77Å; L215-Y219 HydrophobicContact CD2-CE2 4.12Å; L215-Y219 HydrophobicContact CG-CD2 3.94Å; L215-Y219 HydrophobicContact CG-CE2 3.94Å; L215-Y219 WeakPolarHBondContact O-CD2 3.48Å; L215-Y219 PolarHBondContact O-N 3.24Å
216V95.3Very high92.8Very high6 Ų665.6 Ų65.64%0.03631%0.314CS..Hα-helixtrans-62.3-49.1178.9169.40000110.6W135 F159 I161 L212 I213 F218 Y219 R220 L231W135-V216 HydrophobicContact CD2-CG2 4.17Å; W135-V216 HydrophobicContact CE3-CG2 4.13Å; W135-V216 HydrophobicContact CH2-CG2 3.85Å; W135-V216 HydrophobicContact CZ2-CB 4.25Å; W135-V216 HydrophobicContact CZ2-CG2 3.85Å; W135-V216 HydrophobicContact CZ3-CG2 4Å; F159-V216 HydrophobicContact CE2-CG1 4Å; F159-V216 HydrophobicContact CE2-CG2 4.14Å; F159-V216 HydrophobicContact CZ-CG1 3.66Å; I161-V216 HydrophobicContact CD1-CG2 3.43Å; I161-V216 VanDerWaalsContact CD1-CG2 3.43Å; L212-V216 WeakPolarHBondContact O-CG2 3.26Å; L212-V216 PolarHBondContact O-N 3.18Å; I213-V216 PolarHBondContact O-N 2.83Å; I213-V216 VanDerWaalsContact O-N 3.13Å; V216-F218 VanDerWaalsContact C-N 3.29Å; V216-F218 PolarHBondContact O-N 3.31Å; V216-Y219 PolarHBondContact O-N 3.07Å; V216-Y219 VanDerWaalsContact O-N 3.12Å; V216-R220 HydrophobicContact CG1-CG 4.28Å; V216-R220 VanDerWaalsContact O-CG 3.3Å; V216-R220 WeakPolarHBondContact O-CG 3.5Å; V216-R220 PolarHBondContact O-N 3.41Å; V216-L231 HydrophobicContact CG1-CD1 4.33Å
217E94.5Very high93.1Very high120 Ų12057.5 Ų57.556%0.56128%0.279SS*.Hα-helixtrans-55.1-44.6178.3-74.4178.9171.100112.2I213 R220I213-E217 WeakPolarHBondContact O-CG 3.33Å; I213-E217 PolarHBondContact O-N 3.3Å; E217-R220 PolarHBondContact O-N 3.16Å
218F95.5Very high93.2Very high41 Ų4159.2 Ų59.218%0.1829%0.291CS..Hα-helixtrans-61.6-47.7176.3176.3-92.9000111.9A26 T207 F209 Q214 L215 V216 R220 V221 N222A26-F218 HydrophobicContact CB-CE2 4.4Å; T207-F218 HydrophobicContact CG2-CZ 4.5Å; F209-F218 HydrophobicContact CD1-CB 4.33Å; F209-F218 HydrophobicContact CE1-CB 3.4Å; F209-F218 VanDerWaalsContact CE1-CB 3.4Å; F209-F218 AromaticContact CE1-CD1 3.88Å; F209-F218 HydrophobicContact CE1-CD1 3.88Å; F209-F218 HydrophobicContact CE1-CD2 4.1Å; F209-F218 AromaticContact CE1-CG 3.52Å; F209-F218 HydrophobicContact CE1-CG 3.52Å; F209-F218 HydrophobicContact CZ-CB 3.86Å; F209-F218 AromaticContact CZ-CD1 3.46Å; F209-F218 HydrophobicContact CZ-CD1 3.46Å; F209-F218 VanDerWaalsContact CZ-CD1 3.46Å; F209-F218 HydrophobicContact CZ-CD2 4.4Å; F209-F218 HydrophobicContact CZ-CE1 4.08Å; F209-F218 AromaticContact CZ-CG 3.65Å; F209-F218 HydrophobicContact CZ-CG 3.65Å; Q214-F218 VanDerWaalsContact O-CB 3.32Å; Q214-F218 WeakPolarHBondContact O-CB 3.47Å; Q214-F218 PolarHBondContact O-N 3.44Å; L215-F218 PolarHBondContact O-N 2.96Å; V216-F218 VanDerWaalsContact C-N 3.29Å; V216-F218 PolarHBondContact O-N 3.31Å; F218-R220 VanDerWaalsContact C-N 3.26Å; F218-R220 PolarHBondContact O-N 2.91Å; F218-V221 VanDerWaalsContact O-CG2 3.32Å; F218-V221 WeakPolarHBondContact O-CG2 3.37Å; F218-V221 PolarHBondContact O-N 3.26Å; F218-N222 HydrophobicContact CD1-CB 4.38Å; F218-N222 HydrophobicContact CE1-CB 3.9Å; F218-N222 HydrophobicContact CE2-CB 4.08Å; F218-N222 HydrophobicContact CZ-CB 3.74Å; F218-N222 PolarHBondContact O-N 2.75Å
219Y96.6Very high93.4Very high0 Ų056.7 Ų56.70%028%0.282CS..Hα-helixtrans-76-12.2-176-74-66.2000114.4I202 T207 F209 L215 V216 V221 N222 C226 L227 V230 L231I202-Y219 HydrophobicContact CB-CE2 4.49Å; I202-Y219 HydrophobicContact CD1-CD2 4.11Å; I202-Y219 HydrophobicContact CD1-CE2 3.73Å; I202-Y219 HydrophobicContact CG1-CE2 4.37Å; T207-Y219 PolarHBondContact OG1-OH 3.49Å; F209-Y219 AromaticContact CE2-CE2 3.72Å; F209-Y219 HydrophobicContact CE2-CE2 3.72Å; F209-Y219 AromaticContact CZ-CE2 3.98Å; F209-Y219 HydrophobicContact CZ-CE2 3.98Å; L215-Y219 HydrophobicContact CD2-CD2 3.77Å; L215-Y219 HydrophobicContact CD2-CE2 4.12Å; L215-Y219 HydrophobicContact CG-CD2 3.94Å; L215-Y219 HydrophobicContact CG-CE2 3.94Å; L215-Y219 WeakPolarHBondContact O-CD2 3.48Å; L215-Y219 PolarHBondContact O-N 3.24Å; V216-Y219 PolarHBondContact O-N 3.07Å; V216-Y219 VanDerWaalsContact O-N 3.12Å; Y219-V221 VanDerWaalsContact C-N 3.3Å; Y219-N222 CarbonylContact C-O 3.52Å; Y219-N222 VanDerWaalsContact CA-O 3.24Å; Y219-N222 WeakPolarHBondContact CA-O 3.37Å; Y219-N222 WeakPolarHBondContact CD1-O 3.44Å; Y219-C226 WeakPolarHBondContact CE1-SG 3.33Å; Y219-C226 PolarHBondContact OH-SG 3.19Å; Y219-L227 HydrophobicContact CD1-CD1 3.45Å; Y219-L227 VanDerWaalsContact CD1-CD1 3.45Å; Y219-L227 HydrophobicContact CD1-CG 3.98Å; Y219-L227 HydrophobicContact CD2-CD1 4.48Å; Y219-L227 HydrophobicContact CE1-CD1 4.07Å; Y219-L227 HydrophobicContact CE1-CG 4.14Å; Y219-L227 HydrophobicContact CG-CD1 3.69Å; Y219-V230 WeakPolarHBondContact O-CA 3.5Å; Y219-L231 PolarHBondContact O-N 3.17Å
220R95.8Very high93.6Very high132 Ų13258.9 Ų58.950%0.49830%0.296SS..Hα-helixtrans-70.8-24.8168.3-73.4-17978.2178.45.1113.3V216 E217 F218 L231V216-R220 HydrophobicContact CG1-CG 4.28Å; V216-R220 VanDerWaalsContact O-CG 3.3Å; V216-R220 WeakPolarHBondContact O-CG 3.5Å; V216-R220 PolarHBondContact O-N 3.41Å; E217-R220 PolarHBondContact O-N 3.16Å; F218-R220 VanDerWaalsContact C-N 3.26Å; F218-R220 PolarHBondContact O-N 2.91Å; R220-L231 HydrophobicContact CG-CB 3.8Å
221V95.4Very high94Very high107 Ų10755.4 Ų55.465%0.64828%0.28SS*.Hα-helixtrans-114.6-18.5-178.8-66.80000113.6F218 Y219F218-V221 VanDerWaalsContact O-CG2 3.32Å; F218-V221 WeakPolarHBondContact O-CG2 3.37Å; F218-V221 PolarHBondContact O-N 3.26Å; Y219-V221 VanDerWaalsContact C-N 3.3Å
222N94.6Very high94.2Very high76 Ų7655.2 Ų55.241%0.40629%0.286SS..  trans-135.4141.7-178.3-62.8-67.9000111.1F218 Y219F218-N222 HydrophobicContact CD1-CB 4.38Å; F218-N222 HydrophobicContact CE1-CB 3.9Å; F218-N222 HydrophobicContact CE2-CB 4.08Å; F218-N222 HydrophobicContact CZ-CB 3.74Å; F218-N222 PolarHBondContact O-N 2.75Å; Y219-N222 CarbonylContact C-O 3.52Å; Y219-N222 VanDerWaalsContact CA-O 3.24Å; Y219-N222 WeakPolarHBondContact CA-O 3.37Å; Y219-N222 WeakPolarHBondContact CD1-O 3.44Å
223T93.1Very high94.3Very high48 Ų4859.3 Ų59.329%0.29431%0.308SS..  trans-83.5-15.2174.858.10000113.6Y225 C226 L227 V230T223-Y225 PolarHBondContact O-N 2.84Å; T223-C226 PolarHBondContact O-N 3.44Å; T223-L227 WeakPolarHBondContact CB-O 3.05Å; T223-L227 PolarHBondContact O-N 3.38Å; T223-V230 HydrophobicContact CG2-CG1 3.86Å
224G87.6Confident94.4Very high22 Ų2261.9 Ų61.923%0.22732%0.316CS..THydrogen-bonded Turntrans58.815.3-177.600000114.5C226G224-C226 PolarHBondContact O-N 2.89Å
225Y87.6Confident94.4Very high237 Ų23758.5 Ų58.593%0.92930%0.3SS*.THydrogen-bonded Turntrans58.20.2-169.7-53.5-78.8000115.7T223T223-Y225 PolarHBondContact O-N 2.84Å
226C92.6Very high94Very high35 Ų3561.5 Ų61.524%0.23632%0.319CS..THydrogen-bonded Turntrans-99.9-22.5176.363.90000112.9D203 Y219 T223 G224D203-C226 HydrophobicContact CB-CB 4.08Å; Y219-C226 WeakPolarHBondContact CE1-SG 3.33Å; Y219-C226 PolarHBondContact OH-SG 3.19Å; T223-C226 PolarHBondContact O-N 3.44Å; G224-C226 PolarHBondContact O-N 2.89Å
227L94.9Very high92.6Very high9 Ų964.7 Ų64.75%0.04735%0.345CS..SBendtrans-104.1144.5173.7-56.1-174.6000110.6L173 Y184 Y219 T223 I229 L231L173-L227 HydrophobicContact CD2-CD1 4.03Å; L173-L227 HydrophobicContact CD2-CD2 4.08Å; Y184-L227 HydrophobicContact CD1-CD2 3.9Å; Y184-L227 HydrophobicContact CD2-CD2 3.75Å; Y184-L227 HydrophobicContact CE1-CD2 3.83Å; Y184-L227 HydrophobicContact CE2-CD2 3.68Å; Y184-L227 HydrophobicContact CG-CD2 3.86Å; Y219-L227 HydrophobicContact CD1-CD1 3.45Å; Y219-L227 VanDerWaalsContact CD1-CD1 3.45Å; Y219-L227 HydrophobicContact CD1-CG 3.98Å; Y219-L227 HydrophobicContact CD2-CD1 4.48Å; Y219-L227 HydrophobicContact CE1-CD1 4.07Å; Y219-L227 HydrophobicContact CE1-CG 4.14Å; Y219-L227 HydrophobicContact CG-CD1 3.69Å; T223-L227 WeakPolarHBondContact CB-O 3.05Å; T223-L227 PolarHBondContact O-N 3.38Å; L227-I229 VanDerWaalsContact C-N 3.34Å; L227-I229 WeakPolarHBondContact CB-O 3.33Å; L227-L231 HydrophobicContact CD1-CD2 4.15Å; L227-L231 HydrophobicContact CD1-CG 4.48Å
228P95Very high90.9Very high70 Ų7066 Ų6646%0.45536%0.355SS..SBendtrans-74-25.6178.428.9-35.6000113V177 Y184V177-P228 HydrophobicContact CB-CG 4.33Å; V177-P228 HydrophobicContact CG1-CB 4.28Å; V177-P228 HydrophobicContact CG1-CG 3.91Å; V177-P228 HydrophobicContact CG2-CG 3.69Å; Y184-P228 WeakPolarHBondContact OH-CD 3.25Å
229I96.5Very high88.9Confident47 Ų4766.9 Ų66.924%0.24136%0.363CS..SBendtrans-145162.718060.8176.6000109.4D156 G157 L175 V177 L227D156-I229 HydrophobicContact CB-CD1 4.14Å; G157-I229 VanDerWaalsContact CA-CD1 3.48Å; L175-I229 HydrophobicContact CD2-CG1 4.18Å; V177-I229 HydrophobicContact CB-CD1 4.42Å; V177-I229 HydrophobicContact CG1-CD1 4.22Å; V177-I229 HydrophobicContact CG2-CD1 3.9Å; V177-I229 HydrophobicContact CG2-CG1 4.04Å; L227-I229 VanDerWaalsContact C-N 3.34Å; L227-I229 WeakPolarHBondContact CB-O 3.33Å
230V97.1Very high86.7Confident61 Ų6174.4 Ų74.437%0.3740%0.403SS..  trans-72157172.8-64.90000111Y219 T223 G232Y219-V230 WeakPolarHBondContact O-CA 3.5Å; T223-V230 HydrophobicContact CG2-CG1 3.86Å; V230-G232 PolarHBondContact O-N 2.95Å
231L97.3Very high84.6Confident4 Ų470 Ų702%0.02139%0.391CS..  trans-70.5125.8173.9-58.8-176.1000110.3F159 L173 L175 V216 Y219 R220 L227F159-L231 HydrophobicContact CB-CD2 4Å; F159-L231 HydrophobicContact CD1-CB 3.75Å; F159-L231 HydrophobicContact CD1-CD1 4.42Å; F159-L231 HydrophobicContact CD1-CD2 4.15Å; F159-L231 HydrophobicContact CD1-CG 4.31Å; F159-L231 HydrophobicContact CD2-CD1 4.2Å; F159-L231 HydrophobicContact CD2-CD2 4.46Å; F159-L231 HydrophobicContact CE1-CB 3.8Å; F159-L231 HydrophobicContact CE1-CD1 4.38Å; F159-L231 HydrophobicContact CE2-CD1 4.16Å; F159-L231 HydrophobicContact CG-CB 4.37Å; F159-L231 HydrophobicContact CG-CD1 4.35Å; F159-L231 HydrophobicContact CG-CD2 3.95Å; F159-L231 HydrophobicContact CG-CG 4.44Å; F159-L231 HydrophobicContact CZ-CB 4.43Å; F159-L231 HydrophobicContact CZ-CD1 4.25Å; L173-L231 HydrophobicContact CD1-CD1 4.41Å; L173-L231 HydrophobicContact CD1-CD2 4.07Å; L173-L231 HydrophobicContact CD2-CD2 4.11Å; L175-L231 HydrophobicContact CD1-CD2 3.76Å; L175-L231 HydrophobicContact CD2-CD2 4.36Å; V216-L231 HydrophobicContact CG1-CD1 4.33Å; Y219-L231 PolarHBondContact O-N 3.17Å; R220-L231 HydrophobicContact CG-CB 3.8Å; L227-L231 HydrophobicContact CD1-CD2 4.15Å; L227-L231 HydrophobicContact CD1-CG 4.48Å
232G95.4Very high82.3Confident29 Ų2969.4 Ų69.430%0.29939%0.389SS..  trans-101.9-121178.600000111.5G157 V230G157-G232 WeakPolarHBondContact O-CA 3.22Å; G157-G232 PolarHBondContact O-N 3.27Å; V230-G232 PolarHBondContact O-N 2.95Å
233D95Very high80Confident86 Ų8670.7 Ų70.746%0.4640%0.403SS..  trans-70163.1176.4-63.8-32000111.6K155 T158 F159K155-D233 VanDerWaalsContact CE-OD2 3.3Å; K155-D233 WeakPolarHBondContact CE-OD2 3.42Å; K155-D233 IonicContact NZ-OD2 2.66Å; K155-D233 PolarHBondContact NZ-OD2 3.3Å; T158-D233 CarbonylContact C-O 3.57Å; T158-D233 VanDerWaalsContact CA-O 3.24Å; T158-D233 WeakPolarHBondContact CA-O 3.41Å; F159-D233 WeakPolarHBondContact CD1-O 3.35Å; F159-D233 PolarHBondContact N-O 2.9Å
234Y95.3Very high77.6Confident96 Ų9677 Ų7738%0.37643%0.429SS..BIsolated β-bridgetrans-127.8154.6178.654.3-97.6000112.6P134 W135 F159 T236P134-Y234 HydrophobicContact CB-CD2 4.34Å; P134-Y234 HydrophobicContact CB-CE2 3.74Å; P134-Y234 HydrophobicContact CG-CD2 4.34Å; P134-Y234 HydrophobicContact CG-CE2 3.62Å; W135-Y234 HydrophobicContact CB-CD2 4.03Å; W135-Y234 HydrophobicContact CB-CG 3.8Å; F159-Y234 HydrophobicContact CE1-CD1 4.48Å; F159-Y234 HydrophobicContact CZ-CD1 4.48Å; F159-Y234 VanDerWaalsContact O-CA 3.24Å; F159-Y234 WeakPolarHBondContact O-CA 3.47Å; Y234-T236 HydrophobicContact CD2-CG2 4.17Å; Y234-T236 HydrophobicContact CE2-CG2 3.85Å
235V92.4Very high75.3Confident3 Ų379.6 Ų79.62%0.01845%0.449CS..  trans-80.2122.9172.8-177.40000109.4H137 I148 L149 L152 T158 F159 L160 V239H137-V235 PolarHBondContact NE2-O 3.38Å; I148-V235 HydrophobicContact CG2-CB 4.42Å; I148-V235 HydrophobicContact CG2-CG1 3.46Å; I148-V235 VanDerWaalsContact CG2-CG1 3.46Å; I148-V235 HydrophobicContact CG2-CG2 4.1Å; L149-V235 HydrophobicContact CD2-CG2 3.82Å; L152-V235 HydrophobicContact CD1-CG1 4.48Å; L152-V235 HydrophobicContact CD1-CG2 3.65Å; T158-V235 HydrophobicContact CG2-CG2 4.16Å; F159-V235 PolarHBondContact O-N 3.47Å; L160-V235 HydrophobicContact CB-CB 4.09Å; L160-V235 HydrophobicContact CB-CG2 4.29Å; L160-V235 HydrophobicContact CD2-CB 4.13Å; L160-V235 HydrophobicContact CD2-CG1 4.43Å; L160-V235 HydrophobicContact CD2-CG2 3.97Å; V235-V239 HydrophobicContact CG1-CG2 3.89Å
236T87.2Confident72.7Confident63 Ų6375.3 Ų75.339%0.38744%0.442SS..  trans-80.3148171.651.40000111.5P134 Y234 I238P134-T236 HydrophobicContact CB-CG2 4.35Å; P134-T236 WeakPolarHBondContact O-CA 3.49Å; Y234-T236 HydrophobicContact CD2-CG2 4.17Å; Y234-T236 HydrophobicContact CE2-CG2 3.85Å; T236-I238 PolarHBondContact O-N 2.85Å
237A65.5Low70Confident72 Ų7281.5 Ų81.560%0.59547%0.472SS*.SBendtrans-58.57-176.700000117.6
238I59.2Low67.5Low149 Ų14986.4 Ų86.476%0.76450%0.502SS*.  trans-102.627.4-170.9-32.2177.9000112.4T236T236-I238 PolarHBondContact O-N 2.85Å
239V53.4Low64.9Low58 Ų5891.2 Ų91.235%0.35252%0.521SS..  trans-103.894.4173.5-142.80000107.1I148 V235 V241I148-V239 HydrophobicContact CG1-CB 4.47Å; I148-V239 HydrophobicContact CG2-CB 4.47Å; I148-V239 HydrophobicContact CG2-CG2 4Å; V235-V239 HydrophobicContact CG1-CG2 3.89Å; V239-V241 WeakPolarHBondContact O-CG2 3.4Å; V239-V241 PolarHBondContact O-N 3.43Å
240D49.7Very low62.4Low158 Ų15897.6 Ų97.685%0.84555%0.549SS*.  trans-5995.8162.6-71.8-43.5000106.8P242D240-P242 VanDerWaalsContact O-CD 3.3Å; D240-P242 WeakPolarHBondContact O-CD 3.23Å
241V52Low60Low39 Ų3998 Ų9824%0.23657%0.566CS.*  trans-80116.9174.8-162.10000106.2L140 T147 I148 V239 C243L140-V241 HydrophobicContact CD2-CG2 4.45Å; T147-V241 HydrophobicContact CG2-CG1 4.24Å; I148-V241 HydrophobicContact CD1-CG2 3.47Å; I148-V241 VanDerWaalsContact CD1-CG2 3.47Å; I148-V241 HydrophobicContact CG1-CG2 3.37Å; V239-V241 WeakPolarHBondContact O-CG2 3.4Å; V239-V241 PolarHBondContact O-N 3.43Å; V241-C243 PolarHBondContact O-N 3.18Å
242P47Very low57.7Low95 Ų95103.4 Ų103.462%0.61760%0.604SS**  trans-61.9112.5173.2-16.830.4000107.7D240 H244D240-P242 VanDerWaalsContact O-CD 3.3Å; D240-P242 WeakPolarHBondContact O-CD 3.23Å; P242-H244 PolarHBondContact O-N 2.75Å
243C46.5Very low55.5Low104 Ų104113.6 Ų113.670%0.70365%0.649SS**  trans-63.5105.3170.154.50000107.4V241 A245V241-C243 PolarHBondContact O-N 3.18Å; C243-A245 PolarHBondContact O-N 2.93Å
244H41.6Very low53.5Low179 Ų179115 Ų11583%0.82966%0.659SS**  trans-74.670168.9-73.8-76.9000109.1P242P242-H244 PolarHBondContact O-N 2.75Å
245A40.7Very low51.3Low78 Ų78116 Ų11665%0.64567%0.674SS**  trans-123.365.5168.100000108.3C243C243-A245 PolarHBondContact O-N 2.93Å
246N32.9Very low49.1Very low147 Ų147122.3 Ų122.379%0.78671%0.71SS**  trans-158.771.4153.6-99.9-24.6000108.1T248N246-T248 PolarHBondContact O-N 3.23Å; N246-T248 VanDerWaalsContact O-N 3.09Å
247L34.8Very low46.8Very low165 Ų165125.8 Ų125.886%0.86473%0.729SS**  trans-75.873.2155.2-92143.3000107.1M249L247-M249 VanDerWaalsContact C-N 3.32Å; L247-M249 PolarHBondContact O-N 2.72Å; L247-M249 VanDerWaalsContact O-N 3.15Å
248T42.5Very low45.6Very low112 Ų112129.1 Ų129.169%0.68774%0.738SS**  trans-72.298.7155.711.50000106.4N246 Q250N246-T248 PolarHBondContact O-N 3.23Å; N246-T248 VanDerWaalsContact O-N 3.09Å; T248-Q250 VanDerWaalsContact C-N 3.27Å; T248-Q250 PolarHBondContact O-N 2.91Å
249M40Very low44.7Very low170 Ų170127.8 Ų127.884%0.83774%0.736SS**  trans-55.892159.5-80.3-84.3-60.900108.3L247L247-M249 VanDerWaalsContact C-N 3.32Å; L247-M249 PolarHBondContact O-N 2.72Å; L247-M249 VanDerWaalsContact O-N 3.15Å
250Q44Very low44.1Very low181 Ų181132.8 Ų132.885%0.84676%0.763SS**  trans-9098.5158-77.7-174.3-26.300106.6T248T248-Q250 VanDerWaalsContact C-N 3.27Å; T248-Q250 PolarHBondContact O-N 2.91Å
251G47.8Very low43.7Very low70 Ų70130.8 Ų130.872%0.72276%0.757SS**  trans-61.5132.1170.400000110.1
252S48.9Very low43Very low118 Ų118138.5 Ų138.583%0.82580%0.801SS**  trans-79125.1165-56.70000109.9
253I49.3Very low42.6Very low243 Ų243142.5 Ų142.5100%1.24682%0.817SS**  -135.80124.1-58.1-176.5000105.7

Retrieved 253 of 253 residues in 38.5 ms (Link to these results)