A0A096NW03_PAPAN Loading...

Mitochondrial assembly of ribosomal large subunit protein 1

Required for normal mitochondrial ribosome function and mitochondrial translation. May play a role in ribosome biogenesis by preventing premature association of the 28S and 39S ribosomal subunits. Interacts with mitochondrial ribosomal protein uL14m (MRPL14), probably blocking formation of intersubunit bridge B8, preventing association of the 28S and 39S ribosomal subunits. Addition to isolated mitochondrial ribosomal subunits partially inhibits translation, probably by interfering with the association of the 28S and 39S ribosomal subunits and the formation of functional ribosomes. May also participate in the assembly and/or regulation of the stability of the large subunit of the mitochondrial ribosome. May function as a ribosomal silencing factor.

AlphaFold DB , UniProt , Accession A0A096NW03, Species PAPAN (Papio anubis, Olive baboon), Gene MALSU1, Length 235 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.8Very low40.9Very low254 Ų254138.6 Ų138.6100%1.25182%0.819SS**  080.40-67.7166.316400106.4
2G38.2Very low40.7Very low68 Ų68134.2 Ų134.270%0.70181%0.809SS**  92.699.9107.800000109.4
3L40.3Very low41.3Very low178 Ų178132.7 Ų132.793%0.93280%0.804SS**  44.4136.687-64.2171.8000112
4S39.6Very low41.2Very low116 Ų116136.4 Ų136.481%0.81182%0.816SS**  cis173.7163.2-0.3175.90000104.8
5G37.7Very low41Very low65 Ų65138.1 Ų138.167%0.6782%0.815SS**  trans100.3112.7160.900000113.9
6C38.5Very low40.5Very low124 Ų124145.4 Ų145.484%0.83882%0.824SS**  cis69.6118.730-115.40000115.5
7V43.5Very low40.4Very low124 Ų124148.8 Ų148.875%0.75282%0.821SS**  trans87.597.8145.4-168.60000119.5
8A38.8Very low40.1Very low83 Ų83152.6 Ų152.669%0.68682%0.821SS**  60.3147.5111.400000123.8
9R41.9Very low40Very low219 Ų219150.3 Ų150.383%0.82683%0.825SS**  trans102.9146.3139.2-67.4-174.5178.1-143.1-2120
10L46.3Very low39.8Very low141 Ų141148.9 Ų148.974%0.73882%0.82SS**  trans88.3110.2152-67.8126.9000116.1
11L38.9Very low39.7Very low153 Ų153148 Ų14880%0.80182%0.824SS**  79.5106.569.7-85.5162.4000113.8
12A39Very low39.1Very low85 Ų85140.5 Ų140.570%0.70280%0.798SS**  77.5176.4128.900000117.8
13P47.9Very low39.1Very low115 Ų115144 Ų14475%0.74781%0.805SS**  -118.4162.3-105.921.71.2000113M15P13-M15 PolarHBondContact O-N 3.34Å
14L40.9Very low39Very low185 Ų185140 Ų14097%0.96980%0.797SS**  trans-73.293.8174.3-78.9150.6000110.6
15M38Very low38.7Very low162 Ų162137.9 Ų137.980%0.79879%0.794SS**  trans-73.4119.1159.4-93.2-157.6-8400109.6P13P13-M15 PolarHBondContact O-N 3.34Å
16W33.5Very low38.3Very low254 Ų254141.6 Ų141.696%0.96281%0.808SS**  trans-85.7109.5161.2-169.5-89.5000108.7
17R37.8Very low38.2Very low204 Ų204140.1 Ų140.177%0.7781%0.805SS**  trans-128.7142.2166.3-92.8-168.8180-96.22.8110.4
18R35.6Very low37.8Very low217 Ų217141.4 Ų141.482%0.81981%0.813SS**  trans84.8116.1155.6-80.4-178.2166.6-161.7-2.9118.9
19A37Very low37.6Very low108 Ų108141 Ų14189%0.89382%0.817SS**  -133.8115.2120.600000109.2
20V37.2Very low37.2Very low122 Ų122135.5 Ų135.574%0.73982%0.818SS**  trans-102.5135.1160.2160.90000104.9
21S37.8Very low36.8Very low130 Ų130137.1 Ų137.191%0.90982%0.822SS**  trans-125.6138.7160.2-136.70000109.7
22S32.5Very low37.5Very low98 Ų98135.9 Ų135.969%0.68582%0.823SS**  trans-121.8128.9-165.4152.70000107.6
23V39.4Very low37.3Very low142 Ų142134.4 Ų134.486%0.86182%0.816SS**  trans-145.6131.2151.5172.60000110.7
24A37.8Very low36.9Very low93 Ų93136.7 Ų136.777%0.76982%0.821SS**  trans-16.2153.5164.600000119.1
25G32.8Very low36.9Very low72 Ų72136.5 Ų136.574%0.74282%0.815SS**  cis120.6114.21800000109.9
26C29.8Very low37.1Very low143 Ų143136.2 Ų136.297%0.96682%0.816SS**  trans-159.2136.8158.1-114.70000109.8
27A35.9Very low37.4Very low93 Ų93132 Ų13277%0.76981%0.812SS**  trans-110.1-172.8-161.900000113.5
28V35.7Very low37.3Very low151 Ų151126.3 Ų126.392%0.91581%0.808SS**  trans93.2111.6168.4-166.60000112.2
29G33.4Very low37.7Very low75 Ų75124.4 Ų124.477%0.77381%0.811SS**  cis136.1148.946.500000103.9
30A33.2Very low37.8Very low103 Ų103128.8 Ų128.885%0.85181%0.813SS**  cis-165150.323.100000108.4
31E37.8Very low37.8Very low174 Ų174134.4 Ų134.481%0.81382%0.821SS**  trans-77.4157.3160.8-78.4-79.9118.300108.8
32P55.4Low38Very low127 Ų127136.1 Ų136.183%0.82582%0.819SS**  -154164.958.838.8-16.9000118.7
33G34.8Very low38.9Very low55 Ų55137.3 Ų137.357%0.56782%0.824SS**  112.9107.6122.900000118.7
34L39.4Very low39.1Very low162 Ų162137.6 Ų137.685%0.84883%0.826SS**  trans45.6122.4140.3-8988.3000119.3
35Q41Very low39Very low182 Ų182136.8 Ų136.885%0.8583%0.827SS**  -176.8143.690.4-88.1-151.68.100112.8
36L41Very low39.3Very low156 Ų156138.3 Ų138.382%0.81783%0.832SS**  trans-86.7133.5171.1-152.494.8000108.1
37L40.7Very low39.9Very low165 Ų165136.3 Ų136.386%0.86483%0.826SS**  trans168.1150133.4-98.3147.5000114.8
38A35.1Very low39.9Very low85 Ų85140.5 Ų140.570%0.70283%0.827SS**  trans94.4101.3146.600000119.1
39M43.8Very low39.7Very low177 Ų177140.1 Ų140.187%0.87283%0.83SS**  trans-46.8147.9143.7-65.4-161.5134.100112.4
40Q40.1Very low39.9Very low199 Ų199146.9 Ų146.993%0.9383%0.832SS**  -172.6163.5127.7-101.1162.871.500113.7
41R36.8Very low40.2Very low240 Ų240146.2 Ų146.291%0.90683%0.826SS**  trans-83.2162-155-72.7167157.1170-7115.5
42L41.8Very low40.1Very low167 Ų167142.9 Ų142.987%0.87482%0.821SS**  trans-41.8157.6159.8-74.7148.8000114.6
43P51.8Low39.3Very low123 Ų123144.7 Ų144.780%0.79982%0.819SS**  -136.5161.7117.236.7-24.3000116
44V43.4Very low39.2Very low148 Ų148148 Ų14890%0.89783%0.828SS**  trans-59.2147.3172.3167.20000113
45G35Very low40.1Very low76 Ų76145.1 Ų145.178%0.78482%0.819SS**  trans-175.495.6164.700000114
46A39.5Very low40.1Very low104 Ų104144.7 Ų144.786%0.8682%0.823SS**  trans-77.1141.6166.600000110.8
47A41.7Very low39.8Very low101 Ų101146 Ų14684%0.83582%0.822SS**  trans-155.2110.1155.300000111.2
48F36.7Very low39.8Very low181 Ų181143.3 Ų143.379%0.79481%0.812SS**  trans-57.8142.7162.3-127.3-109.6000110.6R50F48-R50 HydrophobicContact CD1-CB 4.26Å; F48-R50 HydrophobicContact CE1-CB 4.37Å
49C31.7Very low39.9Very low143 Ų143149.8 Ų149.897%0.96682%0.819SS**  trans-141.5116.3150.5-101.50000109.8
50R38Very low39.3Very low216 Ų216144.5 Ų144.582%0.81581%0.809SS**  trans-114.5133.5179.8-159.8-172.7-153.6-157.35.5107.3F48F48-R50 HydrophobicContact CD1-CB 4.26Å; F48-R50 HydrophobicContact CE1-CB 4.37Å
51A38.9Very low39.3Very low89 Ų89141.9 Ų141.974%0.73680%0.801SS**  trans62.3133152.600000120.4
52C35.2Very low39.3Very low104 Ų104139.5 Ų139.570%0.70380%0.8SS**  179.3110.2119.5-84.40000107.3
53Q37.9Very low39Very low166 Ų166136.1 Ų136.178%0.77679%0.79SS**  109.2108.480.4-88.6173.83200110.8
54T34.3Very low38.4Very low124 Ų124138.5 Ų138.576%0.76179%0.79SS**  28.8172.5126.959.80000121.8
55P58.3Low38.5Very low101 Ų101136.6 Ų136.666%0.65678%0.781SS**  cis-134178-36.632.1-13.2000111.9
56N40.8Very low38.3Very low174 Ų174136 Ų13693%0.9378%0.775SS**  trans-157139.2134.3-99.3-34.5000112.6
57F33.5Very low38Very low182 Ų182138.7 Ų138.780%0.79877%0.774SS**  trans-121.1164.2-165.4168.3-113.5000108.1
58V41.8Very low37.8Very low110 Ų110142.2 Ų142.267%0.66777%0.773SS**  trans93.1137.2165.8-168.60000116.3
59R37.8Very low37.8Very low221 Ų221141.2 Ų141.283%0.83477%0.771SS**  cis173152.5-18.1-169179.4-169-175.53106.8
60G30.1Very low37.9Very low65 Ų65144.9 Ų144.967%0.6777%0.765SS**  trans137.993.6157.300000112.9
61L40.7Very low37.8Very low144 Ų144138.2 Ų138.275%0.75476%0.756SS**  59.3109.979.9-73.1168.2000114.6
62H36.3Very low37.7Very low191 Ų191142.5 Ų142.588%0.88476%0.761SS**  -170.2145.4113.3-110.8-92.7000111.8
63S35.1Very low37.8Very low95 Ų95148.9 Ų148.966%0.66477%0.77SS**  trans-73.2168.3-167.9-43.60000116.1
64E38.8Very low37.8Very low174 Ų174146.6 Ų146.681%0.81377%0.767SS**  -176.6165.8128.8-94.6-42.785.800110.9
65P46.6Very low38.1Very low107 Ų107147.4 Ų147.470%0.69577%0.772SS**  trans-127.6173.6-137.939.1-21.1000116.3
66G31.1Very low37.1Very low65 Ų65149.6 Ų149.667%0.6778%0.778SS**  trans85.5121.7131.500000122.2
67L33.7Very low37Very low160 Ų160150 Ų15084%0.83877%0.774SS**  trans65.1143.6146.1-99.883.7000118.5
68E35.6Very low36.8Very low175 Ų175145 Ų14582%0.81877%0.774SS**  cis-161.7166.716.8-152.2172.8155.800110.8
69E36.8Very low36.5Very low160 Ų160150.6 Ų150.675%0.74878%0.783SS**  trans-67.8157.3-174.3-171.8-176.4107.800115.9
70R34.2Very low36.7Very low220 Ų220145.8 Ų145.883%0.8378%0.781SS**  152.8123.5110.7-163.8156.3-176.41804.2118.1
71A36.4Very low37.5Very low76 Ų76151 Ų15163%0.62879%0.788SS**  trans80.7100.813900000123.7
72E37.8Very low37.7Very low179 Ų179149.8 Ų149.884%0.83679%0.791SS**  28.5132.6110.1-65.3177132.700123.8
73R36.2Very low38.1Very low238 Ų238147.7 Ų147.790%0.89879%0.786SS**  -178.7120.7116.9-93.4-178.8-153.2-158.44.2107.7
74T39Very low38.5Very low117 Ų117148.2 Ų148.272%0.71880%0.796SS**  67.9104.557.3690000116.4
75V40.4Very low38.7Very low142 Ų142143.3 Ų143.386%0.86179%0.785SS**  trans-169.1108.2136-174.40000103.8
76D37.4Very low38.8Very low146 Ų146144.4 Ų144.478%0.78179%0.785SS**  74138.155-158.638.2000116.8
77E37.2Very low39.8Very low184 Ų184147.2 Ų147.286%0.8678%0.781SS**  trans86.2122.6-179.3-57.9-147125.500118.1
78G29.8Very low40.7Very low76 Ų76146.1 Ų146.178%0.78478%0.781SS**  cis-156124.13.900000110.3
79R35.6Very low41.7Very low227 Ų227139.9 Ų139.986%0.85776%0.764SS**  trans-95125.4170.4-176175.3-1701662.2106E81R79-E81 PolarHBondContact O-N 2.73Å
80P43.3Very low42.9Very low121 Ų121137 Ų13779%0.78676%0.759SS**  trans-64.4117174.325.8-29.1000107.5S82P80-S82 PolarHBondContact O-N 3.04Å; P80-S82 VanDerWaalsContact O-N 3.11Å
81E45.8Very low45Very low175 Ų175132 Ų13282%0.81874%0.743SS**  trans-64.8102.6172.8-60-179.1145.700107R79 D83R79-E81 PolarHBondContact O-N 2.73Å; E81-D83 PolarHBondContact O-N 2.71Å
82S44.3Very low47.4Very low117 Ų117129.5 Ų129.582%0.81872%0.718SS**  trans-79.495.716660.90000106.9P80 A84P80-S82 PolarHBondContact O-N 3.04Å; P80-S82 VanDerWaalsContact O-N 3.11Å; S82-A84 PolarHBondContact O-N 3.2Å
83D45.2Very low49.9Very low148 Ų148125.2 Ų125.279%0.79170%0.701SS**  trans-45.2131.7176.4-74.7-54000112.3E81 A85E81-D83 PolarHBondContact O-N 2.71Å; D83-A85 PolarHBondContact O-N 3.12Å; D83-A85 VanDerWaalsContact O-N 3.14Å
84A43.9Very low52.6Low105 Ų105115.6 Ų115.687%0.86867%0.667SS**  trans-62.7108.4174.800000110.9S82S82-A84 PolarHBondContact O-N 3.2Å
85A42.6Very low55.1Low71 Ų71115.7 Ų115.759%0.58766%0.663SS**  trans-116.188.4155.100000108.3D83 H87D83-A85 PolarHBondContact O-N 3.12Å; D83-A85 VanDerWaalsContact O-N 3.14Å; A85-H87 PolarHBondContact O-N 3.23Å
86D49.2Very low57.6Low130 Ų130111.3 Ų111.370%0.69563%0.634SS**  trans-62.599.9166.6178.210.2000109.1T88D86-T88 PolarHBondContact OD1-N 3.24Å; D86-T88 PolarHBondContact OD1-OG1 3.37Å
87H51.2Low60.3Low125 Ų125104.4 Ų104.458%0.57960%0.597SS**  trans-113.982.8163.3-64.4-59.3000107.2A85 G89A85-H87 PolarHBondContact O-N 3.23Å; H87-G89 PolarHBondContact O-N 3.27Å
88T52.3Low63Low136 Ų13697 Ų9783%0.83457%0.565SS**  trans-62.377.5173-69.20000111.2D86D86-T88 PolarHBondContact OD1-N 3.24Å; D86-T88 PolarHBondContact OD1-OG1 3.37Å
89G57.9Low66.1Low45 Ų4596.9 Ų96.946%0.46455%0.552SS.*SBendtrans-153.2150.3165.600000107.8H87 K91H87-G89 PolarHBondContact O-N 3.27Å; G89-K91 VanDerWaalsContact C-N 3.28Å; G89-K91 PolarHBondContact O-N 3.3Å
90P62.4Low69Low99 Ų9986.4 Ų86.464%0.64351%0.513SS*.  trans-6790177.926.2-31.3000109.4
91K76.7Confident71.4Confident115 Ų11580.6 Ų80.650%0.548%0.475SS..  trans-77.8150.9167.4-98.4178.9175.2178.40109G89 D93 I96G89-K91 VanDerWaalsContact C-N 3.28Å; G89-K91 PolarHBondContact O-N 3.3Å; K91-D93 PolarHBondContact O-N 3.03Å; K91-D93 VanDerWaalsContact O-N 3.09Å; K91-I96 VanDerWaalsContact O-CD1 3.26Å; K91-I96 WeakPolarHBondContact O-CD1 3.07Å
92F86.4Confident73.8Confident23 Ų2380.1 Ų80.110%0.10147%0.466CS..  trans-81.588.5178.1-173.1-111.5000109.1I96 M97 L100 I142 Y146 L149 F172 M175F92-I96 HydrophobicContact CD2-CG2 4.21Å; F92-I96 HydrophobicContact CE2-CG2 4.18Å; F92-M97 HydrophobicContact CD1-CE 4.45Å; F92-M97 HydrophobicContact CE1-CE 3.24Å; F92-M97 HydrophobicContact CZ-CE 3.28Å; F92-M97 HydrophobicContact CZ-SD 4.06Å; F92-L100 HydrophobicContact CE2-CD1 3.98Å; F92-L100 HydrophobicContact CZ-CD1 4.48Å; F92-I142 HydrophobicContact CZ-CG2 4.22Å; F92-Y146 HydrophobicContact CB-CD2 4.07Å; F92-Y146 HydrophobicContact CB-CE2 4.17Å; F92-Y146 AromaticContact CD1-CD2 3.45Å; F92-Y146 HydrophobicContact CD1-CD2 3.45Å; F92-Y146 VanDerWaalsContact CD1-CD2 3.45Å; F92-Y146 AromaticContact CD1-CE2 3.84Å; F92-Y146 HydrophobicContact CD1-CE2 3.84Å; F92-Y146 HydrophobicContact CD2-CD2 4.08Å; F92-Y146 AromaticContact CE1-CD2 3.76Å; F92-Y146 HydrophobicContact CE1-CD2 3.76Å; F92-Y146 HydrophobicContact CE1-CE2 4.44Å; F92-Y146 HydrophobicContact CE2-CD2 4.38Å; F92-Y146 AromaticContact CG-CD2 3.62Å; F92-Y146 HydrophobicContact CG-CD2 3.62Å; F92-Y146 HydrophobicContact CG-CE2 4.12Å; F92-Y146 HydrophobicContact CZ-CD2 4.23Å; F92-L149 HydrophobicContact CD2-CD1 3.99Å; F92-L149 HydrophobicContact CE2-CD1 4.47Å; F92-F172 HydrophobicContact CD1-CD1 4.15Å; F92-F172 HydrophobicContact CD1-CG 4.49Å; F92-F172 AromaticContact CE1-CD1 3.57Å; F92-F172 HydrophobicContact CE1-CD1 3.57Å; F92-F172 HydrophobicContact CE1-CD2 4.4Å; F92-F172 AromaticContact CE1-CE1 3.73Å; F92-F172 HydrophobicContact CE1-CE1 3.73Å; F92-F172 AromaticContact CE1-CG 3.94Å; F92-F172 HydrophobicContact CE1-CG 3.94Å; F92-F172 HydrophobicContact CE1-CZ 4.23Å; F92-F172 HydrophobicContact CZ-CD1 4.39Å; F92-F172 HydrophobicContact CZ-CE1 4.1Å; F92-F172 HydrophobicContact CZ-CZ 4.46Å; F92-M175 HydrophobicContact CD1-CE 3.17Å; F92-M175 HydrophobicContact CE1-CE 3.21Å; F92-M175 HydrophobicContact CG-CE 4.15Å; F92-M175 HydrophobicContact CZ-CE 4.17Å; F92-M175 WeakPolarHBondContact O-CE 3.28Å
93D90.6Very high76.2Confident90 Ų9080 Ų8048%0.48145%0.453SS..  trans-93.7168.4-176.9-63-34.9000112.8K91 D95 I96 M97K91-D93 PolarHBondContact O-N 3.03Å; K91-D93 VanDerWaalsContact O-N 3.09Å; D93-D95 VanDerWaalsContact C-N 3.29Å; D93-D95 PolarHBondContact O-N 2.67Å; D93-I96 WeakPolarHBondContact O-CB 3.37Å; D93-I96 PolarHBondContact O-N 3.22Å; D93-M97 PolarHBondContact O-N 3.29Å; D93-M97 VanDerWaalsContact O-N 3.1Å
94I92.6Very high78.6Confident35 Ų3575.5 Ų75.518%0.17943%0.427CS..Hα-helixtrans-61.9-33.8179.7-165.8166.8000113.4I96 M97 V98 V111 Y123I94-I96 VanDerWaalsContact C-N 3.3Å; I94-I96 PolarHBondContact O-N 3.22Å; I94-M97 WeakPolarHBondContact O-CA 3.12Å; I94-M97 VanDerWaalsContact O-CB 3.29Å; I94-M97 WeakPolarHBondContact O-CB 3.36Å; I94-M97 PolarHBondContact O-N 3.1Å; I94-M97 VanDerWaalsContact O-N 3.12Å; I94-V98 HydrophobicContact CG1-CG2 4.41Å; I94-V98 WeakPolarHBondContact O-CG2 3.44Å; I94-V98 PolarHBondContact O-N 2.86Å; I94-V111 HydrophobicContact CD1-CG1 3.44Å; I94-V111 VanDerWaalsContact CD1-CG1 3.44Å; I94-Y123 HydrophobicContact CD1-CD1 3.38Å; I94-Y123 HydrophobicContact CD1-CD2 4.15Å; I94-Y123 HydrophobicContact CD1-CE1 3.71Å; I94-Y123 HydrophobicContact CD1-CE2 4.44Å; I94-Y123 HydrophobicContact CD1-CG 3.61Å
95D92.8Very high81Confident119 Ų11976.2 Ų76.264%0.63642%0.416SS*.Hα-helixtrans-65-38.2178.1-67.9-30.6000111.5D93 M97 S99D93-D95 VanDerWaalsContact C-N 3.29Å; D93-D95 PolarHBondContact O-N 2.67Å; D95-M97 VanDerWaalsContact C-N 3.34Å; D95-S99 VanDerWaalsContact O-CB 3.27Å; D95-S99 WeakPolarHBondContact O-CB 3.43Å; D95-S99 PolarHBondContact O-N 3.28Å; D95-S99 PolarHBondContact O-OG 2.91Å
96I93.1Very high83.4Confident51 Ų5173.6 Ų73.626%0.26239%0.394SS..Hα-helixtrans-65-44.9173.3-59.8178.5000108.8K91 F92 D93 I94 V98 S99 L100 L149K91-I96 VanDerWaalsContact O-CD1 3.26Å; K91-I96 WeakPolarHBondContact O-CD1 3.07Å; F92-I96 HydrophobicContact CD2-CG2 4.21Å; F92-I96 HydrophobicContact CE2-CG2 4.18Å; D93-I96 WeakPolarHBondContact O-CB 3.37Å; D93-I96 PolarHBondContact O-N 3.22Å; I94-I96 VanDerWaalsContact C-N 3.3Å; I94-I96 PolarHBondContact O-N 3.22Å; I96-V98 PolarHBondContact O-N 3.47Å; I96-S99 WeakPolarHBondContact O-CB 3.34Å; I96-S99 PolarHBondContact O-N 3.37Å; I96-L100 HydrophobicContact CG2-CD1 4.06Å; I96-L100 HydrophobicContact CG2-CG 4.26Å; I96-L100 VanDerWaalsContact O-CG 3.26Å; I96-L100 WeakPolarHBondContact O-CG 3.5Å; I96-L100 PolarHBondContact O-N 3.02Å; I96-L149 HydrophobicContact CG2-CD1 4Å
97M93.5Very high85.5Confident0 Ų075.2 Ų75.20%039%0.39CS..Hα-helixtrans-56.3-52.8178-173.661.479.600112.4F92 D93 I94 D95 S99 L100 L101 I142 F172 M175 I177F92-M97 HydrophobicContact CD1-CE 4.45Å; F92-M97 HydrophobicContact CE1-CE 3.24Å; F92-M97 HydrophobicContact CZ-CE 3.28Å; F92-M97 HydrophobicContact CZ-SD 4.06Å; D93-M97 PolarHBondContact O-N 3.29Å; D93-M97 VanDerWaalsContact O-N 3.1Å; I94-M97 WeakPolarHBondContact O-CA 3.12Å; I94-M97 VanDerWaalsContact O-CB 3.29Å; I94-M97 WeakPolarHBondContact O-CB 3.36Å; I94-M97 PolarHBondContact O-N 3.1Å; I94-M97 VanDerWaalsContact O-N 3.12Å; D95-M97 VanDerWaalsContact C-N 3.34Å; M97-S99 VanDerWaalsContact C-N 3.27Å; M97-S99 PolarHBondContact O-N 3.39Å; M97-L100 PolarHBondContact O-N 2.77Å; M97-L101 HydrophobicContact CG-CD1 4.22Å; M97-L101 WeakPolarHBondContact O-CG 3.39Å; M97-L101 PolarHBondContact O-N 2.84Å; M97-I142 HydrophobicContact CE-CG2 4.15Å; M97-I142 HydrophobicContact SD-CD1 4.48Å; M97-I142 HydrophobicContact SD-CG2 3.79Å; M97-F172 HydrophobicContact CE-CD2 3.96Å; M97-F172 HydrophobicContact CE-CE2 3.65Å; M97-F172 HydrophobicContact CE-CZ 3.95Å; M97-M175 HydrophobicContact CB-CE 4.29Å; M97-M175 HydrophobicContact CB-SD 4Å; M97-M175 HydrophobicContact CE-CE 3.6Å; M97-M175 HydrophobicContact CE-CG 4.34Å; M97-M175 HydrophobicContact CE-SD 3.49Å; M97-M175 WeakPolarHBondContact CE-SD 3.41Å; M97-M175 HydrophobicContact CG-SD 4.12Å; M97-I177 HydrophobicContact CE-CD1 3.3Å; M97-I177 HydrophobicContact CE-CG1 3.77Å; M97-I177 HydrophobicContact CG-CD1 4.26Å; M97-I177 HydrophobicContact SD-CD1 3.19Å; M97-I177 WeakPolarHBondContact SD-CD1 3.19Å; M97-I177 HydrophobicContact SD-CG1 3.98Å
98V94.5Very high87.5Confident30 Ų3073.9 Ų73.918%0.18239%0.388CS..Hα-helixtrans-62.3-37.7179.3173.20000110.7I94 I96 L101 R102 V111I94-V98 HydrophobicContact CG1-CG2 4.41Å; I94-V98 WeakPolarHBondContact O-CG2 3.44Å; I94-V98 PolarHBondContact O-N 2.86Å; I96-V98 PolarHBondContact O-N 3.47Å; V98-L101 PolarHBondContact O-N 2.98Å; V98-R102 HydrophobicContact CG1-CG 4.41Å; V98-R102 WeakPolarHBondContact O-CB 3.26Å; V98-R102 VanDerWaalsContact O-CG 3.25Å; V98-R102 WeakPolarHBondContact O-CG 3.28Å; V98-R102 PolarHBondContact O-N 2.81Å; V98-V111 HydrophobicContact CG2-CG2 4.25Å
99S95.1Very high89.6Confident72 Ų7269.6 Ų69.650%0.50336%0.359SS..Hα-helixtrans-62.8-43.3175.6-61.50000112.1D95 I96 M97 R102 Q103D95-S99 VanDerWaalsContact O-CB 3.27Å; D95-S99 WeakPolarHBondContact O-CB 3.43Å; D95-S99 PolarHBondContact O-N 3.28Å; D95-S99 PolarHBondContact O-OG 2.91Å; I96-S99 WeakPolarHBondContact O-CB 3.34Å; I96-S99 PolarHBondContact O-N 3.37Å; M97-S99 VanDerWaalsContact C-N 3.27Å; M97-S99 PolarHBondContact O-N 3.39Å; S99-R102 PolarHBondContact O-N 3.45Å; S99-Q103 WeakPolarHBondContact O-CB 3.2Å; S99-Q103 PolarHBondContact O-N 3.41Å
100L94.8Very high91.3Very high7 Ų768.8 Ų68.84%0.03735%0.346CS..Hα-helixtrans-64.7-42.9176.7-67.4174.9000111.8F92 I96 M97 R102 Q103 E104 Y141 I142 M145F92-L100 HydrophobicContact CE2-CD1 3.98Å; F92-L100 HydrophobicContact CZ-CD1 4.48Å; I96-L100 HydrophobicContact CG2-CD1 4.06Å; I96-L100 HydrophobicContact CG2-CG 4.26Å; I96-L100 VanDerWaalsContact O-CG 3.26Å; I96-L100 WeakPolarHBondContact O-CG 3.5Å; I96-L100 PolarHBondContact O-N 3.02Å; M97-L100 PolarHBondContact O-N 2.77Å; L100-R102 VanDerWaalsContact C-N 3.34Å; L100-R102 PolarHBondContact O-N 2.64Å; L100-Q103 PolarHBondContact O-N 2.91Å; L100-E104 PolarHBondContact O-N 2.65Å; L100-E104 VanDerWaalsContact O-N 3.09Å; L100-Y141 HydrophobicContact CD2-CE1 3.68Å; L100-I142 HydrophobicContact CB-CG1 4.46Å; L100-M145 HydrophobicContact CD1-CB 3.83Å; L100-M145 HydrophobicContact CD1-CG 4.31Å; L100-M145 HydrophobicContact CD2-CB 4.2Å; L100-M145 HydrophobicContact CD2-CE 4.22Å; L100-M145 HydrophobicContact CD2-CG 3.82Å
101L94.9Very high92.9Very high0 Ų067 Ų670%033%0.333CS..Hα-helixtrans-62.5-41.7176.1-70.9171.3000111.6M97 V98 E104 N105 A106 I109 V125 M138 I142 L179M97-L101 HydrophobicContact CG-CD1 4.22Å; M97-L101 WeakPolarHBondContact O-CG 3.39Å; M97-L101 PolarHBondContact O-N 2.84Å; V98-L101 PolarHBondContact O-N 2.98Å; L101-E104 PolarHBondContact O-N 3.03Å; L101-N105 PolarHBondContact O-N 2.92Å; L101-A106 HydrophobicContact CB-CB 4.03Å; L101-A106 HydrophobicContact CD2-CB 4.25Å; L101-A106 VanDerWaalsContact O-CB 3.24Å; L101-A106 WeakPolarHBondContact O-CB 3.37Å; L101-A106 PolarHBondContact O-N 2.96Å; L101-I109 HydrophobicContact CB-CD1 3.79Å; L101-I109 HydrophobicContact CB-CG1 4.47Å; L101-I109 HydrophobicContact CD1-CG2 4.13Å; L101-V125 HydrophobicContact CD1-CG1 3.77Å; L101-M138 HydrophobicContact CD2-CG 4.31Å; L101-M138 HydrophobicContact CD2-SD 3.61Å; L101-I142 HydrophobicContact CD2-CD1 3.68Å; L101-I142 HydrophobicContact CG-CD1 4.42Å; L101-L179 HydrophobicContact CD2-CD2 4.03Å
102R94.9Very high93.7Very high164 Ų16462.3 Ų62.362%0.61931%0.313SS*.Hα-helixtrans-66.7-38.2175.5-72.7177.6-173.8-74.2-1.5112.2V98 S99 L100 E104 N105 I109V98-R102 HydrophobicContact CG1-CG 4.41Å; V98-R102 WeakPolarHBondContact O-CB 3.26Å; V98-R102 VanDerWaalsContact O-CG 3.25Å; V98-R102 WeakPolarHBondContact O-CG 3.28Å; V98-R102 PolarHBondContact O-N 2.81Å; S99-R102 PolarHBondContact O-N 3.45Å; L100-R102 VanDerWaalsContact C-N 3.34Å; L100-R102 PolarHBondContact O-N 2.64Å; R102-E104 VanDerWaalsContact C-N 3.34Å; R102-E104 PolarHBondContact O-N 3.31Å; R102-N105 PolarHBondContact O-N 3.08Å; R102-I109 HydrophobicContact CG-CD1 3.95Å
103Q95.6Very high94.1Very high116 Ų11668.2 Ų68.254%0.54234%0.341SS..Hα-helixtrans-62.3-41.4177.8-179.6172.50.800112.1S99 L100 N105 Y141S99-Q103 WeakPolarHBondContact O-CB 3.2Å; S99-Q103 PolarHBondContact O-N 3.41Å; L100-Q103 PolarHBondContact O-N 2.91Å; Q103-N105 PolarHBondContact O-N 3.34Å; Q103-Y141 PolarHBondContact NE2-OH 3.49Å; Q103-Y141 PolarHBondContact OE1-OH 3.31Å
104E94.6Very high94.1Very high53 Ų5364.2 Ų64.225%0.24832%0.32CS..THydrogen-bonded Turntrans-78.83.1175-66.9-61.7127.600113.1L100 L101 R102 H134 M138 Y141L100-E104 PolarHBondContact O-N 2.65Å; L100-E104 VanDerWaalsContact O-N 3.09Å; L101-E104 PolarHBondContact O-N 3.03Å; R102-E104 VanDerWaalsContact C-N 3.34Å; R102-E104 PolarHBondContact O-N 3.31Å; E104-H134 PolarHBondContact O-NE2 2.69Å; E104-M138 HydrophobicContact CB-CB 4.46Å; E104-M138 HydrophobicContact CB-CE 4.21Å; E104-M138 HydrophobicContact CB-CG 3.95Å; E104-M138 HydrophobicContact CG-CG 4.27Å; E104-Y141 HydrophobicContact CG-CD1 3.47Å; E104-Y141 VanDerWaalsContact CG-CD1 3.47Å; E104-Y141 HydrophobicContact CG-CE1 3.98Å; E104-Y141 HydrophobicContact CG-CG 4.13Å
105N94.6Very high94Very high120 Ų12066.1 Ų66.164%0.64233%0.334SS*.THydrogen-bonded Turntrans58.342.9-176.8-62.4-81.5000113.8L101 R102 Q103 R107L101-N105 PolarHBondContact O-N 2.92Å; R102-N105 PolarHBondContact O-N 3.08Å; Q103-N105 PolarHBondContact O-N 3.34Å; N105-R107 PolarHBondContact O-N 3.33Å
106A94.4Very high93.8Very high15 Ų1565.9 Ų65.912%0.12434%0.339CS..  trans-55135.7167.700000110.5L101 I109 M138L101-A106 HydrophobicContact CB-CB 4.03Å; L101-A106 HydrophobicContact CD2-CB 4.25Å; L101-A106 VanDerWaalsContact O-CB 3.24Å; L101-A106 WeakPolarHBondContact O-CB 3.37Å; L101-A106 PolarHBondContact O-N 2.96Å; A106-I109 HydrophobicContact CB-CD1 4.19Å; A106-I109 HydrophobicContact CB-CG1 4.09Å; A106-M138 HydrophobicContact CB-CE 3.64Å; A106-M138 HydrophobicContact CB-SD 3.81Å
107R93.3Very high93.6Very high164 Ų16471.9 Ų71.962%0.61937%0.367SS*.EExtended strand (participates in β ladder)trans-88.6144.2173.2-63.3-62.8-174.7171.9-1.4108.1N105 S128 T130N105-R107 PolarHBondContact O-N 3.33Å; R107-S128 WeakPolarHBondContact CA-O 3.46Å; R107-S128 WeakPolarHBondContact CB-O 3.41Å; R107-S128 PolarHBondContact N-O 2.7Å; R107-S128 CarbonylContact O-C 3.58Å; R107-S128 VanDerWaalsContact O-CA 3.31Å; R107-S128 WeakPolarHBondContact O-CA 3.26Å; R107-S128 WeakPolarHBondContact O-CB 3.29Å; R107-S128 PolarHBondContact O-N 2.84Å; R107-T130 HydrophobicContact CG-CG2 3.94Å
108D93Very high93.1Very high98 Ų9875.4 Ų75.452%0.52438%0.384SS..EExtended strand (participates in β ladder)trans48.884.1170.1-169.7-2.5000112.9R185D108-R185 PolarHBondContact O-NH1 3.19Å; D108-R185 IonicContact OD1-CZ 2.65Å; D108-R185 IonicContact OD1-NH1 3.24Å; D108-R185 IonicContact OD1-NH2 2.69Å; D108-R185 PolarHBondContact OD1-NH2 3.32Å; D108-R185 IonicContact OD2-CZ 3.5Å; D108-R185 VanDerWaalsContact OD2-CZ 3.24Å; D108-R185 IonicContact OD2-NE 3.92Å; D108-R185 IonicContact OD2-NH1 3.51Å; D108-R185 PolarHBondContact OD2-NH1 2.89Å; D108-R185 IonicContact OD2-NH2 2.92Å; D108-R185 PolarHBondContact OD2-NH2 3.09Å
109I95.1Very high92.7Very high45 Ų4585.9 Ų85.923%0.23142%0.42CS..EExtended strand (participates in β ladder)trans-98114-179.7-56.6168.3000107.4L101 R102 A106 V111 I126L101-I109 HydrophobicContact CB-CD1 3.79Å; L101-I109 HydrophobicContact CB-CG1 4.47Å; L101-I109 HydrophobicContact CD1-CG2 4.13Å; R102-I109 HydrophobicContact CG-CD1 3.95Å; A106-I109 HydrophobicContact CB-CD1 4.19Å; A106-I109 HydrophobicContact CB-CG1 4.09Å; I109-V111 HydrophobicContact CG2-CG2 4.22Å; I109-I126 WeakPolarHBondContact CA-O 3.49Å
110C95Very high92.4Very high28 Ų2888 Ų8819%0.18942%0.418CS..EExtended strand (participates in β ladder)trans-110.3132.4172.9-176.80000109.2I126 R185 E191C110-I126 HydrophobicContact CB-CB 4.32Å; C110-I126 PolarHBondContact N-O 3.3Å; C110-I126 PolarHBondContact O-N 3.24Å; C110-R185 VanDerWaalsContact CB-NH2 3.35Å; C110-E191 HydrophobicContact CB-CG 4.32Å
111V95.5Very high92.3Very high61 Ų6188.2 Ų88.237%0.3742%0.419SS..EExtended strand (participates in β ladder)trans-124.7124.2-179.8176.90000107.3I94 V98 I109 Y123 V125I94-V111 HydrophobicContact CD1-CG1 3.44Å; I94-V111 VanDerWaalsContact CD1-CG1 3.44Å; V98-V111 HydrophobicContact CG2-CG2 4.25Å; I109-V111 HydrophobicContact CG2-CG2 4.22Å; V111-Y123 HydrophobicContact CG1-CD1 4.42Å; V111-V125 HydrophobicContact CG2-CG1 4.32Å; V111-V125 HydrophobicContact CG2-CG2 4.38Å
112I94.4Very high92.1Very high18 Ų1892.4 Ų92.49%0.09244%0.442CS..EExtended strand (participates in β ladder)trans-117.4123.2-179.1-56.4168.2000107.2F124 I126 W194 T195I112-F124 HydrophobicContact CB-CB 4.24Å; I112-F124 HydrophobicContact CD1-CD1 4.32Å; I112-F124 PolarHBondContact N-O 3.02Å; I112-F124 PolarHBondContact O-N 3.4Å; I112-I126 HydrophobicContact CD1-CD1 4.12Å; I112-W194 HydrophobicContact CD1-CB 3.94Å; I112-T195 HydrophobicContact CD1-CG2 4.1Å; I112-T195 HydrophobicContact CG1-CG2 4.32Å; I112-T195 HydrophobicContact CG2-CG2 4.3Å
113Q93.3Very high92.1Very high146 Ų14688.5 Ų88.568%0.68243%0.428SS*.EExtended strand (participates in β ladder)trans-81.4122.6170.2-174.1177.7300108.4Y123Q113-Y123 HydrophobicContact CB-CD1 4.35Å; Q113-Y123 HydrophobicContact CB-CE1 4.27Å; Q113-Y123 HydrophobicContact CG-CD1 4.43Å; Q113-Y123 HydrophobicContact CG-CE1 4.08Å
114V92.1Very high92.1Very high7 Ų783 Ų834%0.04240%0.402CS..PPolyproline II helixtrans-92.3133.6-179.3176.40000108.4M118 T121 D122 F124 W194V114-M118 HydrophobicContact CG1-CB 4Å; V114-M118 HydrophobicContact CG1-CG 4.08Å; V114-M118 HydrophobicContact CG1-SD 4.39Å; V114-T121 VanDerWaalsContact CB-O 3.25Å; V114-T121 WeakPolarHBondContact CB-O 3.31Å; V114-T121 WeakPolarHBondContact CG1-O 3.49Å; V114-T121 HydrophobicContact CG2-CG2 4.1Å; V114-D122 PolarHBondContact N-O 3.38Å; V114-F124 HydrophobicContact CG2-CB 3.95Å; V114-W194 HydrophobicContact CG2-CE3 4.38Å
115P89.4Confident92.1Very high74 Ų7480.5 Ų80.548%0.48139%0.39SS..PPolyproline II helixtrans-66.9143.4178.127-34000110.6E117 M118P115-E117 PolarHBondContact O-N 2.96Å; P115-M118 PolarHBondContact O-N 3.3Å
116P88.9Confident92.2Very high114 Ų11474.8 Ų74.874%0.7436%0.36SS*.THydrogen-bonded Turntrans-65.6-13.3-175.427.4-36.1000113.9M118P116-M118 VanDerWaalsContact C-N 3.25Å; P116-M118 PolarHBondContact O-N 3.41Å
117E89.6Confident92.2Very high178 Ų17874 Ų7483%0.83235%0.354SS*.THydrogen-bonded Turntrans-61.7-37.3172-60.3179.7-175.900111.5P115 R119P115-E117 PolarHBondContact O-N 2.96Å; E117-R119 PolarHBondContact O-N 2.96Å
118M81.6Confident92.4Very high73 Ų7366.4 Ų66.436%0.3633%0.326SS..SBendtrans-87.387.7175.1-179.6159.5-106.600107.8V114 P115 P116 Y120 W194 R197V114-M118 HydrophobicContact CG1-CB 4Å; V114-M118 HydrophobicContact CG1-CG 4.08Å; V114-M118 HydrophobicContact CG1-SD 4.39Å; P115-M118 PolarHBondContact O-N 3.3Å; P116-M118 VanDerWaalsContact C-N 3.25Å; P116-M118 PolarHBondContact O-N 3.41Å; M118-Y120 PolarHBondContact O-N 3.01Å; M118-W194 HydrophobicContact SD-CE3 4.42Å; M118-W194 HydrophobicContact SD-CZ3 3.9Å; M118-R197 VanDerWaalsContact CE-CZ 3.47Å; M118-R197 PolarHBondContact SD-NH2 3.18Å
119R86.8Confident92.4Very high250 Ų25061.8 Ų61.894%0.94330%0.301SS*.THydrogen-bonded Turntrans-64.355.8-179.4-61.5-176.7177.9-172.3-0.2113.6E117E117-R119 PolarHBondContact O-N 2.96Å
120Y89.3Confident92.4Very high118 Ų11864 Ų6446%0.46332%0.316SS..THydrogen-bonded Turntrans-112.5-61.3180-179.2-115.5000110.2M118 F124 V176 W194M118-Y120 PolarHBondContact O-N 3.01Å; Y120-F124 HydrophobicContact CE1-CD2 4.28Å; Y120-F124 HydrophobicContact CE1-CE2 4.35Å; Y120-V176 HydrophobicContact CE1-CG1 4.19Å; Y120-W194 AromaticContact CD1-CH2 3.31Å; Y120-W194 HydrophobicContact CD1-CH2 3.31Å; Y120-W194 HydrophobicContact CD1-CZ2 4.28Å; Y120-W194 AromaticContact CD1-CZ3 3.74Å; Y120-W194 HydrophobicContact CD1-CZ3 3.74Å; Y120-W194 AromaticContact CE1-CH2 3.44Å; Y120-W194 HydrophobicContact CE1-CH2 3.44Å; Y120-W194 VanDerWaalsContact CE1-CH2 3.44Å; Y120-W194 AromaticContact CE1-CZ2 3.96Å; Y120-W194 HydrophobicContact CE1-CZ2 3.96Å; Y120-W194 HydrophobicContact CE1-CZ3 4.22Å; Y120-W194 HydrophobicContact CG-CH2 4.09Å
121T91.4Very high92.3Very high10 Ų1065.1 Ų65.16%0.06133%0.325CS..  trans-161.1163.2-178.2-162.70000109.1V114 S174 M175 V176V114-T121 VanDerWaalsContact CB-O 3.25Å; V114-T121 WeakPolarHBondContact CB-O 3.31Å; V114-T121 WeakPolarHBondContact CG1-O 3.49Å; V114-T121 HydrophobicContact CG2-CG2 4.1Å; T121-S174 VanDerWaalsContact OG1-C 3.29Å; T121-S174 PolarHBondContact OG1-O 3.15Å; T121-S174 VanDerWaalsContact OG1-O 3.06Å; T121-M175 VanDerWaalsContact OG1-CA 3.27Å; T121-M175 WeakPolarHBondContact OG1-CA 3.36Å; T121-M175 PolarHBondContact OG1-N 3.11Å; T121-V176 HydrophobicContact CG2-CG1 4Å
122D92Very high92.2Very high89 Ų8964.5 Ų64.548%0.47632%0.321SS..SBendtrans-85.9-37.6177.1-54.1-47.3000111.1V114 S174V114-D122 PolarHBondContact N-O 3.38Å; D122-S174 VanDerWaalsContact CB-O 3.29Å; D122-S174 WeakPolarHBondContact CB-O 3.47Å; D122-S174 PolarHBondContact N-O 3.25Å
123Y94.6Very high92.2Very high81 Ų8173.6 Ų73.632%0.31835%0.354SS..EExtended strand (participates in β ladder)trans-130.9130.7179.9-61.7-79000112.7I94 V111 Q113 S174 M175 V176I94-Y123 HydrophobicContact CD1-CD1 3.38Å; I94-Y123 HydrophobicContact CD1-CD2 4.15Å; I94-Y123 HydrophobicContact CD1-CE1 3.71Å; I94-Y123 HydrophobicContact CD1-CE2 4.44Å; I94-Y123 HydrophobicContact CD1-CG 3.61Å; V111-Y123 HydrophobicContact CG1-CD1 4.42Å; Q113-Y123 HydrophobicContact CB-CD1 4.35Å; Q113-Y123 HydrophobicContact CB-CE1 4.27Å; Q113-Y123 HydrophobicContact CG-CD1 4.43Å; Q113-Y123 HydrophobicContact CG-CE1 4.08Å; Y123-S174 PolarHBondContact N-O 3.24Å; Y123-M175 VanDerWaalsContact O-CA 3.23Å; Y123-M175 WeakPolarHBondContact O-CA 3.48Å; Y123-M175 WeakPolarHBondContact O-CB 3.49Å; Y123-V176 PolarHBondContact O-N 3.12Å
124F94.9Very high92.2Very high1 Ų168.1 Ų68.10%0.00433%0.329CS..EExtended strand (participates in β ladder)trans-108111.6173.7-165.5-88.8000109.1I112 V114 Y120 I126 V176 H178 W194I112-F124 HydrophobicContact CB-CB 4.24Å; I112-F124 HydrophobicContact CD1-CD1 4.32Å; I112-F124 PolarHBondContact N-O 3.02Å; I112-F124 PolarHBondContact O-N 3.4Å; V114-F124 HydrophobicContact CG2-CB 3.95Å; Y120-F124 HydrophobicContact CE1-CD2 4.28Å; Y120-F124 HydrophobicContact CE1-CE2 4.35Å; F124-I126 HydrophobicContact CD1-CD1 3.96Å; F124-I126 HydrophobicContact CD1-CG1 3.75Å; F124-I126 HydrophobicContact CE1-CD1 3.69Å; F124-I126 HydrophobicContact CE1-CG1 3.5Å; F124-V176 HydrophobicContact CB-CG1 4.43Å; F124-V176 HydrophobicContact CD2-CG1 3.26Å; F124-V176 HydrophobicContact CE2-CG1 3.67Å; F124-V176 HydrophobicContact CG-CG1 4.07Å; F124-H178 AromaticContact CE1-CD2 3.81Å; F124-H178 AromaticContact CE2-CD2 3.42Å; F124-H178 VanDerWaalsContact CE2-CD2 3.42Å; F124-H178 WeakPolarHBondContact CE2-CD2 3.37Å; F124-H178 AromaticContact CE2-NE2 3.26Å; F124-H178 VanDerWaalsContact CE2-NE2 3.26Å; F124-H178 WeakPolarHBondContact CE2-NE2 3.35Å; F124-H178 AromaticContact CZ-CD2 3.12Å; F124-H178 WeakPolarHBondContact CZ-CD2 3.33Å; F124-H178 AromaticContact CZ-CG 3.96Å; F124-H178 AromaticContact CZ-NE2 3.32Å; F124-H178 VanDerWaalsContact CZ-NE2 3.32Å; F124-H178 WeakPolarHBondContact CZ-NE2 3.31Å; F124-W194 HydrophobicContact CD1-CG 4.27Å; F124-W194 HydrophobicContact CD2-CD2 4.13Å; F124-W194 AromaticContact CD2-CE2 3.94Å; F124-W194 HydrophobicContact CD2-CE3 4.45Å; F124-W194 HydrophobicContact CD2-CH2 4.47Å; F124-W194 HydrophobicContact CD2-CZ2 4.14Å; F124-W194 AromaticContact CE1-CD1 3.66Å; F124-W194 HydrophobicContact CE1-CG 4.24Å; F124-W194 AromaticContact CE1-NE1 3.77Å; F124-W194 HydrophobicContact CE2-CD2 4.18Å; F124-W194 AromaticContact CE2-CE2 3.54Å; F124-W194 HydrophobicContact CE2-CH2 4.42Å; F124-W194 AromaticContact CE2-CZ2 3.7Å; F124-W194 HydrophobicContact CE2-CZ2 3.7Å; F124-W194 AromaticContact CE2-NE1 3.58Å; F124-W194 HydrophobicContact CG-CD2 4.36Å; F124-W194 HydrophobicContact CG-CG 4.45Å; F124-W194 AromaticContact CZ-CD1 3.71Å; F124-W194 HydrophobicContact CZ-CD2 4.42Å; F124-W194 AromaticContact CZ-CE2 3.79Å; F124-W194 HydrophobicContact CZ-CG 4.41Å; F124-W194 HydrophobicContact CZ-CZ2 4.32Å; F124-W194 AromaticContact CZ-NE1 3.3Å; F124-W194 VanDerWaalsContact CZ-NE1 3.3Å
125V95.8Very high92.3Very high0 Ų067.8 Ų67.80%033%0.327CS..EExtended strand (participates in β ladder)trans-107.8129-176.3-175.90000109.6L101 V111 V176 I177 H178L101-V125 HydrophobicContact CD1-CG1 3.77Å; V111-V125 HydrophobicContact CG2-CG1 4.32Å; V111-V125 HydrophobicContact CG2-CG2 4.38Å; V125-V176 PolarHBondContact N-O 3.26Å; V125-I177 HydrophobicContact CB-CG1 4.36Å; V125-I177 HydrophobicContact CB-CG2 4.44Å; V125-I177 HydrophobicContact CG1-CG2 4.35Å; V125-I177 CarbonylContact O-C 3.55Å; V125-I177 VanDerWaalsContact O-CA 3.31Å; V125-I177 WeakPolarHBondContact O-CA 3.23Å; V125-H178 PolarHBondContact O-N 3.25Å
126I95.7Very high92.5Very high0 Ų065.8 Ų65.80%031%0.311CS..EExtended strand (participates in β ladder)trans-118.3126.8176.4-57.1165.9000107.8I109 C110 I112 F124 H178 M180 L190 E191I109-I126 WeakPolarHBondContact CA-O 3.49Å; C110-I126 HydrophobicContact CB-CB 4.32Å; C110-I126 PolarHBondContact N-O 3.3Å; C110-I126 PolarHBondContact O-N 3.24Å; I112-I126 HydrophobicContact CD1-CD1 4.12Å; F124-I126 HydrophobicContact CD1-CD1 3.96Å; F124-I126 HydrophobicContact CD1-CG1 3.75Å; F124-I126 HydrophobicContact CE1-CD1 3.69Å; F124-I126 HydrophobicContact CE1-CG1 3.5Å; I126-H178 WeakPolarHBondContact CA-O 3.32Å; I126-M180 HydrophobicContact CG2-CE 3.34Å; I126-L190 HydrophobicContact CD1-CB 4.06Å; I126-E191 HydrophobicContact CD1-CG 3.58Å
127G95.6Very high92.8Very high0 Ų062.7 Ų62.70%030%0.295CS..EExtended strand (participates in β ladder)trans-131.5140.717600000111.4H178 L179 M180G127-H178 PolarHBondContact N-O 2.95Å; G127-L179 WeakPolarHBondContact O-CA 3.12Å; G127-M180 PolarHBondContact O-N 3Å; G127-M180 VanDerWaalsContact O-N 3.09Å
128S95.8Very high93Very high4 Ų454.2 Ų54.23%0.02826%0.255CS..EExtended strand (participates in β ladder)trans-102137175.7-660000112.6R107 M180 R185R107-S128 WeakPolarHBondContact CA-O 3.46Å; R107-S128 WeakPolarHBondContact CB-O 3.41Å; R107-S128 PolarHBondContact N-O 2.7Å; R107-S128 CarbonylContact O-C 3.58Å; R107-S128 VanDerWaalsContact O-CA 3.31Å; R107-S128 WeakPolarHBondContact O-CA 3.26Å; R107-S128 WeakPolarHBondContact O-CB 3.29Å; R107-S128 PolarHBondContact O-N 2.84Å; S128-M180 VanDerWaalsContact CA-O 3.23Å; S128-M180 WeakPolarHBondContact CA-O 3.42Å; S128-R185 VanDerWaalsContact OG-CD 3.28Å; S128-R185 WeakPolarHBondContact OG-CD 3.26Å; S128-R185 PolarHBondContact OG-NH1 3.47Å
129G94.3Very high93.6Very high1 Ų150.8 Ų50.81%0.0124%0.238CC..  trans-102.1158.4174.300000112.1L135 M180 P182G129-L135 VanDerWaalsContact CA-CD2 3.47Å; G129-M180 PolarHBondContact N-O 2.88Å; G129-P182 WeakPolarHBondContact O-CD 3.49Å
130T93.8Very high93.9Very high90 Ų9043.9 Ų43.955%0.55222%0.215SC*.SBendtrans-83.4-23.1175.753.90000113.5R107 H134R107-T130 HydrophobicContact CG-CG2 3.94Å; T130-H134 PolarHBondContact N-ND1 2.83Å; T130-H134 PolarHBondContact OG1-ND1 3.42Å
131S93.9Very high94.2Very high52 Ų5240.7 Ų40.736%0.36420%0.203SC..SBendtrans-157.2160.918062.50000109.9R133 H134 L135S131-R133 VanDerWaalsContact C-N 3.32Å; S131-R133 PolarHBondContact O-N 2.81Å; S131-H134 WeakPolarHBondContact O-CA 3.34Å; S131-H134 WeakPolarHBondContact O-CB 3.46Å; S131-H134 PolarHBondContact O-N 2.83Å; S131-H134 WeakPolarHBondContact OG-CB 3.35Å; S131-H134 PolarHBondContact OG-N 2.9Å; S131-L135 WeakPolarHBondContact O-CG 3.25Å; S131-L135 PolarHBondContact O-N 3.09Å
132T93.3Very high94.3Very high48 Ų4840.2 Ų40.229%0.29420%0.2SC..Hα-helixtrans-56.3-46.9178.264.50000111H134 L135 H136 D165 L181T132-H134 VanDerWaalsContact C-N 3.29Å; T132-H134 PolarHBondContact O-N 2.87Å; T132-L135 WeakPolarHBondContact O-CB 3.35Å; T132-L135 PolarHBondContact O-N 2.84Å; T132-L135 VanDerWaalsContact O-N 3.15Å; T132-H136 PolarHBondContact O-CD2 3.17Å; T132-H136 PolarHBondContact O-N 3Å; T132-D165 WeakPolarHBondContact CB-O 3.35Å; T132-D165 HydrophobicContact CG2-CB 3.61Å; T132-D165 WeakPolarHBondContact CG2-O 3.29Å; T132-L181 HydrophobicContact CG2-CD1 4.15Å
133R93.6Very high94.3Very high209 Ų20936.4 Ų36.479%0.78918%0.18SC*.Hα-helixtrans-57.7-40.1174.1-173.7-177.4178.296.90.9112.7S131 H136 A137S131-R133 VanDerWaalsContact C-N 3.32Å; S131-R133 PolarHBondContact O-N 2.81Å; R133-H136 PolarHBondContact O-N 3.38Å; R133-A137 WeakPolarHBondContact O-CB 3.41Å; R133-A137 PolarHBondContact O-N 3Å
134H94.7Very high94.3Very high31 Ų3138.5 Ų38.514%0.14419%0.191CC..Hα-helixtrans-66.3-44.1177.7177.6-161.2000110.9E104 T130 S131 T132 H136 A137 M138E104-H134 PolarHBondContact O-NE2 2.69Å; T130-H134 PolarHBondContact N-ND1 2.83Å; T130-H134 PolarHBondContact OG1-ND1 3.42Å; S131-H134 WeakPolarHBondContact O-CA 3.34Å; S131-H134 WeakPolarHBondContact O-CB 3.46Å; S131-H134 PolarHBondContact O-N 2.83Å; S131-H134 WeakPolarHBondContact OG-CB 3.35Å; S131-H134 PolarHBondContact OG-N 2.9Å; T132-H134 VanDerWaalsContact C-N 3.29Å; T132-H134 PolarHBondContact O-N 2.87Å; H134-H136 VanDerWaalsContact C-N 3.33Å; H134-H136 PolarHBondContact O-N 3.27Å; H134-A137 PolarHBondContact O-N 3.29Å; H134-M138 WeakPolarHBondContact NE2-CE 3.24Å; H134-M138 WeakPolarHBondContact O-CB 3.44Å; H134-M138 PolarHBondContact O-N 3.04Å
135L94.3Very high94.1Very high0 Ų041 Ų410%020%0.203CC..Hα-helixtrans-56.5-47174.3-64.7171.6000111.3G129 S131 T132 M138 A139 M168 L179 L181G129-L135 VanDerWaalsContact CA-CD2 3.47Å; S131-L135 WeakPolarHBondContact O-CG 3.25Å; S131-L135 PolarHBondContact O-N 3.09Å; T132-L135 WeakPolarHBondContact O-CB 3.35Å; T132-L135 PolarHBondContact O-N 2.84Å; T132-L135 VanDerWaalsContact O-N 3.15Å; L135-M138 PolarHBondContact O-N 3.06Å; L135-A139 WeakPolarHBondContact O-CB 3.42Å; L135-A139 PolarHBondContact O-N 2.95Å; L135-M168 HydrophobicContact CB-CE 3.26Å; L135-L179 HydrophobicContact CD2-CB 3.9Å; L135-L181 HydrophobicContact CD1-CD2 3.96Å; L135-L181 HydrophobicContact CD1-CG 3.94Å
136H93.7Very high93.9Very high33 Ų3341.7 Ų41.715%0.15321%0.206CC..Hα-helixtrans-63.4-47.8-179.8-80.3-76.2000111.5T132 R133 H134 M138 A139 F140 K162 D165 M168T132-H136 PolarHBondContact O-CD2 3.17Å; T132-H136 PolarHBondContact O-N 3Å; R133-H136 PolarHBondContact O-N 3.38Å; H134-H136 VanDerWaalsContact C-N 3.33Å; H134-H136 PolarHBondContact O-N 3.27Å; H136-M138 VanDerWaalsContact C-N 3.27Å; H136-M138 PolarHBondContact O-N 2.97Å; H136-A139 PolarHBondContact O-N 2.98Å; H136-F140 HydrophobicContact CB-CD2 4.31Å; H136-F140 HydrophobicContact CB-CE2 4.21Å; H136-F140 WeakPolarHBondContact O-CD2 3.42Å; H136-F140 PolarHBondContact O-N 3.49Å; H136-K162 PolarHBondContact CE1-O 3.19Å; H136-D165 IonicContact NE2-OD1 3.05Å; H136-M168 HydrophobicContact CB-CE 4.26Å; H136-M168 VanDerWaalsContact CE1-SD 3.52Å; H136-M168 PolarHBondContact ND1-SD 3.31Å
137A93.9Very high93.6Very high49 Ų4947.1 Ų47.141%0.40523%0.229SC..Hα-helixtrans-56.5-45.217900000111.2R133 H134 F140 Y141R133-A137 WeakPolarHBondContact O-CB 3.41Å; R133-A137 PolarHBondContact O-N 3Å; H134-A137 PolarHBondContact O-N 3.29Å; A137-F140 PolarHBondContact O-N 3.04Å; A137-Y141 VanDerWaalsContact O-CB 3.24Å; A137-Y141 WeakPolarHBondContact O-CB 3.48Å; A137-Y141 PolarHBondContact O-N 2.93Å
138M94.9Very high93.2Very high0 Ų053.6 Ų53.60%026%0.259CS..Hα-helixtrans-64.2-47.4178-169.4-174.1-55.900112L101 E104 A106 H134 L135 H136 F140 Y141 I142 L179L101-M138 HydrophobicContact CD2-CG 4.31Å; L101-M138 HydrophobicContact CD2-SD 3.61Å; E104-M138 HydrophobicContact CB-CB 4.46Å; E104-M138 HydrophobicContact CB-CE 4.21Å; E104-M138 HydrophobicContact CB-CG 3.95Å; E104-M138 HydrophobicContact CG-CG 4.27Å; A106-M138 HydrophobicContact CB-CE 3.64Å; A106-M138 HydrophobicContact CB-SD 3.81Å; H134-M138 WeakPolarHBondContact NE2-CE 3.24Å; H134-M138 WeakPolarHBondContact O-CB 3.44Å; H134-M138 PolarHBondContact O-N 3.04Å; L135-M138 PolarHBondContact O-N 3.06Å; H136-M138 VanDerWaalsContact C-N 3.27Å; H136-M138 PolarHBondContact O-N 2.97Å; M138-F140 PolarHBondContact O-N 2.91Å; M138-Y141 PolarHBondContact O-N 3.23Å; M138-I142 HydrophobicContact CG-CD1 3.97Å; M138-I142 VanDerWaalsContact O-CG1 3.29Å; M138-I142 WeakPolarHBondContact O-CG1 3.31Å; M138-I142 PolarHBondContact O-N 3.32Å; M138-L179 HydrophobicContact CB-CD1 4.38Å; M138-L179 HydrophobicContact CG-CD1 4.26Å; M138-L179 HydrophobicContact SD-CD1 4.22Å; M138-L179 HydrophobicContact SD-CD2 3.69Å
139A94.1Very high92.8Very high0 Ų055.8 Ų55.80%027%0.27CS..Hα-helixtrans-59.2-46.9177.700000112L135 H136 Y141 V143 I159 M168 V170 L179L135-A139 WeakPolarHBondContact O-CB 3.42Å; L135-A139 PolarHBondContact O-N 2.95Å; H136-A139 PolarHBondContact O-N 2.98Å; A139-Y141 VanDerWaalsContact C-N 3.34Å; A139-Y141 PolarHBondContact O-N 2.98Å; A139-V143 WeakPolarHBondContact O-CG2 3.39Å; A139-V143 PolarHBondContact O-N 3.01Å; A139-V143 VanDerWaalsContact O-N 3.07Å; A139-I159 HydrophobicContact CB-CD1 4.22Å; A139-I159 HydrophobicContact CB-CG2 4.39Å; A139-M168 HydrophobicContact CB-SD 4.16Å; A139-V170 HydrophobicContact CB-CG2 4.41Å; A139-L179 HydrophobicContact CB-CD1 3.89Å
140F93.3Very high92.1Very high105 Ų10557.8 Ų57.846%0.46128%0.279SS..Hα-helixtrans-65.2-37.6176.7-74.5-61.4000112.4H136 A137 M138 K144 I159H136-F140 HydrophobicContact CB-CD2 4.31Å; H136-F140 HydrophobicContact CB-CE2 4.21Å; H136-F140 WeakPolarHBondContact O-CD2 3.42Å; H136-F140 PolarHBondContact O-N 3.49Å; A137-F140 PolarHBondContact O-N 3.04Å; M138-F140 PolarHBondContact O-N 2.91Å; F140-K144 VanDerWaalsContact O-CB 3.23Å; F140-K144 WeakPolarHBondContact O-CB 3.25Å; F140-K144 PolarHBondContact O-N 2.94Å; F140-I159 HydrophobicContact CD1-CD1 3.68Å; F140-I159 HydrophobicContact CE1-CD1 3.85Å; F140-I159 HydrophobicContact CG-CD1 4.33Å
141Y94.5Very high91.4Very high51 Ų5156.9 Ų56.920%0.228%0.276CS..Hα-helixtrans-63.6-49.6177.3-179.8-109.4000111.4L100 Q103 E104 A137 M138 A139 V143 K144 M145L100-Y141 HydrophobicContact CD2-CE1 3.68Å; Q103-Y141 PolarHBondContact NE2-OH 3.49Å; Q103-Y141 PolarHBondContact OE1-OH 3.31Å; E104-Y141 HydrophobicContact CG-CD1 3.47Å; E104-Y141 VanDerWaalsContact CG-CD1 3.47Å; E104-Y141 HydrophobicContact CG-CE1 3.98Å; E104-Y141 HydrophobicContact CG-CG 4.13Å; A137-Y141 VanDerWaalsContact O-CB 3.24Å; A137-Y141 WeakPolarHBondContact O-CB 3.48Å; A137-Y141 PolarHBondContact O-N 2.93Å; M138-Y141 PolarHBondContact O-N 3.23Å; A139-Y141 VanDerWaalsContact C-N 3.34Å; A139-Y141 PolarHBondContact O-N 2.98Å; Y141-V143 PolarHBondContact O-N 3.48Å; Y141-K144 WeakPolarHBondContact O-CB 3.23Å; Y141-K144 PolarHBondContact O-N 3.37Å; Y141-K144 VanDerWaalsContact O-N 3.13Å; Y141-M145 HydrophobicContact CD1-CG 4.37Å; Y141-M145 HydrophobicContact CD2-CG 4.38Å; Y141-M145 HydrophobicContact CE1-CG 4.01Å; Y141-M145 HydrophobicContact CE2-CG 3.98Å; Y141-M145 HydrophobicContact CE2-SD 4.08Å; Y141-M145 WeakPolarHBondContact O-CG 3.24Å; Y141-M145 PolarHBondContact O-N 2.94Å
142I93.8Very high90.5Very high0 Ų064.6 Ų64.60%030%0.303CS..Hα-helixtrans-61-46.5179-63.5164.1000110.6F92 M97 L100 L101 M138 K144 M145 Y146 F172 I177 L179F92-I142 HydrophobicContact CZ-CG2 4.22Å; M97-I142 HydrophobicContact CE-CG2 4.15Å; M97-I142 HydrophobicContact SD-CD1 4.48Å; M97-I142 HydrophobicContact SD-CG2 3.79Å; L100-I142 HydrophobicContact CB-CG1 4.46Å; L101-I142 HydrophobicContact CD2-CD1 3.68Å; L101-I142 HydrophobicContact CG-CD1 4.42Å; M138-I142 HydrophobicContact CG-CD1 3.97Å; M138-I142 VanDerWaalsContact O-CG1 3.29Å; M138-I142 WeakPolarHBondContact O-CG1 3.31Å; M138-I142 PolarHBondContact O-N 3.32Å; I142-K144 VanDerWaalsContact C-N 3.28Å; I142-K144 PolarHBondContact O-N 2.96Å; I142-M145 PolarHBondContact O-N 3.03Å; I142-M145 VanDerWaalsContact O-N 3.15Å; I142-Y146 WeakPolarHBondContact O-CB 3.43Å; I142-Y146 PolarHBondContact O-N 3.01Å; I142-F172 HydrophobicContact CG2-CE1 4.3Å; I142-F172 HydrophobicContact CG2-CZ 3.65Å; I142-I177 HydrophobicContact CD1-CD1 4Å; I142-I177 HydrophobicContact CG2-CD1 3.94Å; I142-L179 HydrophobicContact CD1-CD1 4.48Å
143V92.9Very high89.8Confident9 Ų971 Ų716%0.05533%0.329CS..Hα-helixtrans-63.7-36177.2170.70000111.8A139 Y141 K147 V157 I159 V170A139-V143 WeakPolarHBondContact O-CG2 3.39Å; A139-V143 PolarHBondContact O-N 3.01Å; A139-V143 VanDerWaalsContact O-N 3.07Å; Y141-V143 PolarHBondContact O-N 3.48Å; V143-K147 HydrophobicContact CG1-CD 4.36Å; V143-K147 VanDerWaalsContact O-CG 3.29Å; V143-K147 WeakPolarHBondContact O-CG 3.41Å; V143-K147 PolarHBondContact O-N 3.21Å; V143-V157 HydrophobicContact CG2-CG1 4.15Å; V143-I159 HydrophobicContact CB-CD1 4.29Å; V143-I159 HydrophobicContact CG2-CD1 3.85Å; V143-I159 HydrophobicContact CG2-CG1 3.64Å; V143-V170 HydrophobicContact CG2-CG1 3.67Å
144K92.8Very high89.3Confident126 Ų12664.1 Ų64.155%0.54831%0.308SS..Hα-helixtrans-62.1-49.4172.9-178.4179.4177.61770109.9F140 Y141 I142 Y146 K147 H148F140-K144 VanDerWaalsContact O-CB 3.23Å; F140-K144 WeakPolarHBondContact O-CB 3.25Å; F140-K144 PolarHBondContact O-N 2.94Å; Y141-K144 WeakPolarHBondContact O-CB 3.23Å; Y141-K144 PolarHBondContact O-N 3.37Å; Y141-K144 VanDerWaalsContact O-N 3.13Å; I142-K144 VanDerWaalsContact C-N 3.28Å; I142-K144 PolarHBondContact O-N 2.96Å; K144-Y146 PolarHBondContact O-N 2.81Å; K144-K147 WeakPolarHBondContact O-CB 3.11Å; K144-K147 PolarHBondContact O-N 2.83Å; K144-H148 PolarHBondContact O-N 3.48Å; K144-H148 PolarHBondContact O-ND1 2.87Å
145M91.9Very high88.8Confident54 Ų5467.4 Ų67.427%0.26633%0.331SS..Hα-helixtrans-62.2-43.3179.8-66.6-56.1-68.100111.9L100 Y141 I142 K147 H148 L149L100-M145 HydrophobicContact CD1-CB 3.83Å; L100-M145 HydrophobicContact CD1-CG 4.31Å; L100-M145 HydrophobicContact CD2-CB 4.2Å; L100-M145 HydrophobicContact CD2-CE 4.22Å; L100-M145 HydrophobicContact CD2-CG 3.82Å; Y141-M145 HydrophobicContact CD1-CG 4.37Å; Y141-M145 HydrophobicContact CD2-CG 4.38Å; Y141-M145 HydrophobicContact CE1-CG 4.01Å; Y141-M145 HydrophobicContact CE2-CG 3.98Å; Y141-M145 HydrophobicContact CE2-SD 4.08Å; Y141-M145 WeakPolarHBondContact O-CG 3.24Å; Y141-M145 PolarHBondContact O-N 2.94Å; I142-M145 PolarHBondContact O-N 3.03Å; I142-M145 VanDerWaalsContact O-N 3.15Å; M145-K147 VanDerWaalsContact C-N 3.31Å; M145-K147 PolarHBondContact O-N 2.99Å; M145-H148 PolarHBondContact O-N 2.67Å; M145-L149 WeakPolarHBondContact O-CG 3.23Å; M145-L149 PolarHBondContact O-N 2.82Å
146Y90.9Very high88.3Confident14 Ų1474.4 Ų74.46%0.05536%0.364CS..Hα-helixtrans-55.8-44.7172.9179.5-104000112.1F92 I142 K144 H148 L149 K150 V157 F172F92-Y146 HydrophobicContact CB-CD2 4.07Å; F92-Y146 HydrophobicContact CB-CE2 4.17Å; F92-Y146 AromaticContact CD1-CD2 3.45Å; F92-Y146 HydrophobicContact CD1-CD2 3.45Å; F92-Y146 VanDerWaalsContact CD1-CD2 3.45Å; F92-Y146 AromaticContact CD1-CE2 3.84Å; F92-Y146 HydrophobicContact CD1-CE2 3.84Å; F92-Y146 HydrophobicContact CD2-CD2 4.08Å; F92-Y146 AromaticContact CE1-CD2 3.76Å; F92-Y146 HydrophobicContact CE1-CD2 3.76Å; F92-Y146 HydrophobicContact CE1-CE2 4.44Å; F92-Y146 HydrophobicContact CE2-CD2 4.38Å; F92-Y146 AromaticContact CG-CD2 3.62Å; F92-Y146 HydrophobicContact CG-CD2 3.62Å; F92-Y146 HydrophobicContact CG-CE2 4.12Å; F92-Y146 HydrophobicContact CZ-CD2 4.23Å; I142-Y146 WeakPolarHBondContact O-CB 3.43Å; I142-Y146 PolarHBondContact O-N 3.01Å; K144-Y146 PolarHBondContact O-N 2.81Å; Y146-H148 PolarHBondContact O-N 2.9Å; Y146-L149 PolarHBondContact O-N 2.91Å; Y146-K150 HydrophobicContact CD1-CB 4.49Å; Y146-K150 HydrophobicContact CD1-CD 4.15Å; Y146-K150 HydrophobicContact CE1-CB 4.11Å; Y146-K150 HydrophobicContact CE1-CD 3.77Å; Y146-K150 HydrophobicContact CE2-CB 4.26Å; Y146-K150 VanDerWaalsContact O-CB 3.25Å; Y146-K150 WeakPolarHBondContact O-CB 3.27Å; Y146-K150 WeakPolarHBondContact O-CG 3.42Å; Y146-K150 PolarHBondContact O-N 2.84Å; Y146-V157 HydrophobicContact CD1-CB 4.21Å; Y146-V157 HydrophobicContact CD1-CG2 3.65Å; Y146-V157 HydrophobicContact CE1-CB 4.22Å; Y146-V157 HydrophobicContact CE1-CG2 3.3Å; Y146-V157 HydrophobicContact CG-CG2 4.5Å; Y146-F172 HydrophobicContact CD1-CD1 4.22Å; Y146-F172 HydrophobicContact CD1-CE1 4.33Å; Y146-F172 AromaticContact CD2-CD1 3.6Å; Y146-F172 HydrophobicContact CD2-CD1 3.6Å; Y146-F172 AromaticContact CD2-CE1 3.98Å; Y146-F172 HydrophobicContact CD2-CE1 3.98Å; Y146-F172 HydrophobicContact CE1-CD1 4.46Å; Y146-F172 AromaticContact CE2-CD1 3.85Å; Y146-F172 HydrophobicContact CE2-CD1 3.85Å; Y146-F172 AromaticContact CG-CD1 3.78Å; Y146-F172 HydrophobicContact CG-CD1 3.78Å; Y146-F172 AromaticContact CG-CE1 3.78Å; Y146-F172 HydrophobicContact CG-CE1 3.78Å
147K89.5Confident88.2Confident113 Ų11373.9 Ų73.949%0.49136%0.363SS..Hα-helixtrans-61.4-27.1176.7-75.1172.5-178.9-179.10114V143 K144 M145V143-K147 HydrophobicContact CG1-CD 4.36Å; V143-K147 VanDerWaalsContact O-CG 3.29Å; V143-K147 WeakPolarHBondContact O-CG 3.41Å; V143-K147 PolarHBondContact O-N 3.21Å; K144-K147 WeakPolarHBondContact O-CB 3.11Å; K144-K147 PolarHBondContact O-N 2.83Å; M145-K147 VanDerWaalsContact C-N 3.31Å; M145-K147 PolarHBondContact O-N 2.99Å
148H87.9Confident88Confident137 Ų13777.7 Ų77.763%0.63437%0.37SS*.Hα-helixtrans-84.6-29.6177.5-68.173000112.3K144 M145 Y146K144-H148 PolarHBondContact O-N 3.48Å; K144-H148 PolarHBondContact O-ND1 2.87Å; M145-H148 PolarHBondContact O-N 2.67Å; Y146-H148 PolarHBondContact O-N 2.9Å
149L85.9Confident87.8Confident49 Ų4978 Ų7826%0.25737%0.372SS..Hα-helixtrans-92.8-25.5-176.7-66.3171.2000113.4F92 I96 M145 Y146F92-L149 HydrophobicContact CD2-CD1 3.99Å; F92-L149 HydrophobicContact CE2-CD1 4.47Å; I96-L149 HydrophobicContact CG2-CD1 4Å; M145-L149 WeakPolarHBondContact O-CG 3.23Å; M145-L149 PolarHBondContact O-N 2.82Å; Y146-L149 PolarHBondContact O-N 2.91Å
150K81.1Confident87.8Confident43 Ų4382.1 Ų82.119%0.18739%0.391CS..SBendtrans-63.8151.2-174.268.4177-175.8153.20113.4Y146 D154 H156Y146-K150 HydrophobicContact CD1-CB 4.49Å; Y146-K150 HydrophobicContact CD1-CD 4.15Å; Y146-K150 HydrophobicContact CE1-CB 4.11Å; Y146-K150 HydrophobicContact CE1-CD 3.77Å; Y146-K150 HydrophobicContact CE2-CB 4.26Å; Y146-K150 VanDerWaalsContact O-CB 3.25Å; Y146-K150 WeakPolarHBondContact O-CB 3.27Å; Y146-K150 WeakPolarHBondContact O-CG 3.42Å; Y146-K150 PolarHBondContact O-N 2.84Å; K150-D154 HydrophobicContact CB-CB 4.36Å; K150-H156 PolarHBondContact NZ-CD2 3.36Å; K150-H156 PolarHBondContact NZ-NE2 3.4Å
151C77.8Confident87.5Confident72 Ų7278.3 Ų78.349%0.48638%0.381SS..  trans-74.4153.6169.6-70.50000109.8H153 D154C151-H153 PolarHBondContact O-N 3.46Å; C151-D154 WeakPolarHBondContact CB-OD2 3.45Å; C151-D154 PolarHBondContact N-OD2 3.15Å; C151-D154 PolarHBondContact O-N 2.99Å; C151-D154 VanDerWaalsContact O-N 3.08Å
152K75.7Confident87Confident214 Ų21480.8 Ų80.893%0.9339%0.393SS*.THydrogen-bonded Turntrans-59.8-19.9-178-70.8-177.6-179.5176.50114.1
153H78.7Confident86.7Confident183 Ų18388.6 Ų88.685%0.84744%0.435SS*.THydrogen-bonded Turntrans-88.4-15.2-179-69.4-72.2000113.6C151C151-H153 PolarHBondContact O-N 3.46Å
154D83.2Confident86.2Confident64 Ų6491.7 Ų91.734%0.34245%0.454SS..SBendtrans-77140.3-176-57.7-32.5000111.2K150 C151K150-D154 HydrophobicContact CB-CB 4.36Å; C151-D154 WeakPolarHBondContact CB-OD2 3.45Å; C151-D154 PolarHBondContact N-OD2 3.15Å; C151-D154 PolarHBondContact O-N 2.99Å; C151-D154 VanDerWaalsContact O-N 3.08Å
155P83.9Confident85.8Confident99 Ų9989.8 Ų89.864%0.64345%0.45SS*.PPolyproline II helixtrans-62.1159.2-17925.4-33.2000112.2
156H84.8Confident85.7Confident148 Ų14890.9 Ų90.969%0.68546%0.457SS*.PPolyproline II helixtrans-77.3128.9174-70.285.5000110K150K150-H156 PolarHBondContact NZ-CD2 3.36Å; K150-H156 PolarHBondContact NZ-NE2 3.4Å
157V90.5Very high85.8Confident21 Ų2194 Ų9413%0.12747%0.468CS..PPolyproline II helixtrans-79134.2174.7172.50000109.9V143 Y146 V170 D171 F172V143-V157 HydrophobicContact CG2-CG1 4.15Å; Y146-V157 HydrophobicContact CD1-CB 4.21Å; Y146-V157 HydrophobicContact CD1-CG2 3.65Å; Y146-V157 HydrophobicContact CE1-CB 4.22Å; Y146-V157 HydrophobicContact CE1-CG2 3.3Å; Y146-V157 HydrophobicContact CG-CG2 4.5Å; V157-V170 HydrophobicContact CG1-CG1 3.32Å; V157-D171 VanDerWaalsContact CG1-O 3.24Å; V157-D171 WeakPolarHBondContact CG1-O 3.19Å; V157-D171 WeakPolarHBondContact CG2-O 3.29Å; V157-F172 HydrophobicContact CG1-CD1 4.35Å; V157-F172 HydrophobicContact CG1-CE1 4.15Å; V157-F172 HydrophobicContact CG2-CD1 3.75Å; V157-F172 HydrophobicContact CG2-CE1 4.22Å; V157-F172 HydrophobicContact CG2-CG 4.42Å
158K88.9Confident86.1Confident130 Ų13088.6 Ų88.657%0.56545%0.445SS*.  trans-104.2144.7171.9-175170.2168.5-114.30108.7E160K158-E160 WeakPolarHBondContact CD-OE1 3.41Å; K158-E160 WeakPolarHBondContact CE-OE1 3.26Å; K158-E160 WeakPolarHBondContact CG-OE1 3.49Å; K158-E160 IonicContact NZ-OE1 2.72Å; K158-E160 PolarHBondContact NZ-OE1 3.33Å; K158-E160 IonicContact NZ-OE2 2.85Å; K158-E160 PolarHBondContact NZ-OE2 2.98Å
159I92.5Very high86.4Confident7 Ų783.8 Ų83.84%0.03643%0.426CS..EExtended strand (participates in β ladder)trans-94.3123169.9-56.3170.3000105.8A139 F140 V143 K162 M168 V170A139-I159 HydrophobicContact CB-CD1 4.22Å; A139-I159 HydrophobicContact CB-CG2 4.39Å; F140-I159 HydrophobicContact CD1-CD1 3.68Å; F140-I159 HydrophobicContact CE1-CD1 3.85Å; F140-I159 HydrophobicContact CG-CD1 4.33Å; V143-I159 HydrophobicContact CB-CD1 4.29Å; V143-I159 HydrophobicContact CG2-CD1 3.85Å; V143-I159 HydrophobicContact CG2-CG1 3.64Å; I159-K162 HydrophobicContact CB-CG 4.26Å; I159-K162 HydrophobicContact CG2-CG 4.08Å; I159-K162 WeakPolarHBondContact O-CE 3.29Å; I159-M168 HydrophobicContact CG2-CG 4.5Å; I159-M168 HydrophobicContact CG2-SD 4.31Å; I159-V170 HydrophobicContact CB-CG2 4.49Å; I159-V170 HydrophobicContact CG1-CG2 4.12Å; I159-V170 HydrophobicContact CG2-CG2 4.2Å
160E92.4Very high86.8Confident85 Ų8581.5 Ų81.540%0.39741%0.414SS..EExtended strand (participates in β ladder)trans-96.2153.7170.8-55.6-58150.600109.6K158 C169K158-E160 WeakPolarHBondContact CD-OE1 3.41Å; K158-E160 WeakPolarHBondContact CE-OE1 3.26Å; K158-E160 WeakPolarHBondContact CG-OE1 3.49Å; K158-E160 IonicContact NZ-OE1 2.72Å; K158-E160 PolarHBondContact NZ-OE1 3.33Å; K158-E160 IonicContact NZ-OE2 2.85Å; K158-E160 PolarHBondContact NZ-OE2 2.98Å; E160-C169 PolarHBondContact N-O 3.19Å; E160-C169 PolarHBondContact O-N 3.34Å
161G88.7Confident87.3Confident25 Ų2583.6 Ų83.626%0.25843%0.428SS..  trans77.926.4-175.800000114D163 T164 M168G161-D163 PolarHBondContact O-N 3.29Å; G161-T164 PolarHBondContact O-N 3Å; G161-M168 VanDerWaalsContact O-CG 3.23Å; G161-M168 WeakPolarHBondContact O-CG 3.49Å
162K84.3Confident87.9Confident103 Ų10381 Ų8145%0.44841%0.408SS..THydrogen-bonded Turntrans-65.2-26.2176.9-70.2-177.6-176175.80114.1H136 I159H136-K162 PolarHBondContact CE1-O 3.19Å; I159-K162 HydrophobicContact CB-CG 4.26Å; I159-K162 HydrophobicContact CG2-CG 4.08Å; I159-K162 WeakPolarHBondContact O-CE 3.29Å
163D86.1Confident88.5Confident164 Ų16473.1 Ų73.188%0.87739%0.388SS*.THydrogen-bonded Turntrans-94.2-9.3-179.3-52.4-34.8000111.4G161G161-D163 PolarHBondContact O-N 3.29Å
164T83.2Confident88.9Confident75 Ų7567 Ų6746%0.4637%0.366SS..  trans-106.5122.4178.9-52.20000108.7G161G161-T164 PolarHBondContact O-N 3Å
165D83.1Confident89.4Confident85 Ų8564.1 Ų64.146%0.45535%0.35SS..SBendtrans-81.3-21.3-170.7-75-19.6000113.3T132 H136T132-D165 WeakPolarHBondContact CB-O 3.35Å; T132-D165 HydrophobicContact CG2-CB 3.61Å; T132-D165 WeakPolarHBondContact CG2-O 3.29Å; H136-D165 IonicContact NE2-OD1 3.05Å
166D90.2Very high89.9Confident77 Ų7759.6 Ų59.641%0.41232%0.321SS..SBendtrans-95.3-20.6-167.1-52.3-31.8000113.3M180 L181D166-M180 VanDerWaalsContact O-CA 3.29Å; D166-M180 WeakPolarHBondContact O-CA 3.34Å; D166-L181 HydrophobicContact CB-CD1 4.29Å; D166-L181 PolarHBondContact O-N 3.21Å
167W94Very high90.4Very high79 Ų7952.5 Ų52.530%0.29929%0.288SS..EExtended strand (participates in β ladder)trans-150.6125.4-176.1-175.918.3000111.6H178 M180 L190W167-H178 AromaticContact CE2-ND1 3.57Å; W167-H178 AromaticContact CZ2-CE1 3.93Å; W167-H178 AromaticContact CZ2-ND1 3.41Å; W167-H178 WeakPolarHBondContact CZ2-ND1 3.27Å; W167-H178 AromaticContact NE1-CG 3.86Å; W167-H178 AromaticContact NE1-ND1 3.17Å; W167-H178 PolarHBondContact NE1-ND1 3.21Å; W167-H178 VanDerWaalsContact NE1-ND1 3.17Å; W167-M180 HydrophobicContact CB-CB 4.42Å; W167-M180 HydrophobicContact CG-CB 4.4Å; W167-L190 HydrophobicContact CZ2-CD1 4.07Å
168M94.5Very high90.6Very high1 Ų152.3 Ų52.31%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-124.6147.9169.2-79.3176.5-73.500110.7L135 H136 A139 I159 G161 L179L135-M168 HydrophobicContact CB-CE 3.26Å; H136-M168 HydrophobicContact CB-CE 4.26Å; H136-M168 VanDerWaalsContact CE1-SD 3.52Å; H136-M168 PolarHBondContact ND1-SD 3.31Å; A139-M168 HydrophobicContact CB-SD 4.16Å; I159-M168 HydrophobicContact CG2-CG 4.5Å; I159-M168 HydrophobicContact CG2-SD 4.31Å; G161-M168 VanDerWaalsContact O-CG 3.23Å; G161-M168 WeakPolarHBondContact O-CG 3.49Å; M168-L179 PolarHBondContact N-O 3.37Å; M168-L179 PolarHBondContact O-N 3.34Å
169C94.1Very high90.9Very high35 Ų3546.1 Ų46.124%0.23626%0.259CS..EExtended strand (participates in β ladder)trans-129.4148.4169.6670000111.8E160 I177E160-C169 PolarHBondContact N-O 3.19Å; E160-C169 PolarHBondContact O-N 3.34Å; C169-I177 CarbonylContact C-O 3.53Å; C169-I177 VanDerWaalsContact CA-O 3.24Å; C169-I177 WeakPolarHBondContact CA-O 3.01Å
170V94.3Very high91.1Very high1 Ų145.8 Ų45.81%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-137.3119.2-177.9-169.70000108.2A139 V143 V157 I159 F172 I177A139-V170 HydrophobicContact CB-CG2 4.41Å; V143-V170 HydrophobicContact CG2-CG1 3.67Å; V157-V170 HydrophobicContact CG1-CG1 3.32Å; I159-V170 HydrophobicContact CB-CG2 4.49Å; I159-V170 HydrophobicContact CG1-CG2 4.12Å; I159-V170 HydrophobicContact CG2-CG2 4.2Å; V170-F172 HydrophobicContact CB-CE2 3.95Å; V170-F172 HydrophobicContact CB-CZ 4.15Å; V170-F172 HydrophobicContact CG1-CD2 4.46Å; V170-F172 HydrophobicContact CG1-CE1 4.11Å; V170-F172 HydrophobicContact CG1-CE2 3.55Å; V170-F172 HydrophobicContact CG1-CZ 3.35Å; V170-I177 PolarHBondContact N-O 2.96Å; V170-I177 PolarHBondContact O-N 2.7Å
171D92.4Very high91.2Very high88 Ų8843 Ų4347%0.47125%0.245SC..EExtended strand (participates in β ladder)trans-106.8126.7-177.2-1763.1000110.8V157 G173 V176V157-D171 VanDerWaalsContact CG1-O 3.24Å; V157-D171 WeakPolarHBondContact CG1-O 3.19Å; V157-D171 WeakPolarHBondContact CG2-O 3.29Å; D171-G173 PolarHBondContact OD1-N 3.26Å; D171-V176 HydrophobicContact CB-CG2 4.34Å
172F90Very high91.5Very high17 Ų1745.1 Ų45.18%0.07525%0.254CS..  trans-106.90.8178.5-56.2-89.9000112.8F92 M97 I142 Y146 V157 V170 S174 M175 I177F92-F172 HydrophobicContact CD1-CD1 4.15Å; F92-F172 HydrophobicContact CD1-CG 4.49Å; F92-F172 AromaticContact CE1-CD1 3.57Å; F92-F172 HydrophobicContact CE1-CD1 3.57Å; F92-F172 HydrophobicContact CE1-CD2 4.4Å; F92-F172 AromaticContact CE1-CE1 3.73Å; F92-F172 HydrophobicContact CE1-CE1 3.73Å; F92-F172 AromaticContact CE1-CG 3.94Å; F92-F172 HydrophobicContact CE1-CG 3.94Å; F92-F172 HydrophobicContact CE1-CZ 4.23Å; F92-F172 HydrophobicContact CZ-CD1 4.39Å; F92-F172 HydrophobicContact CZ-CE1 4.1Å; F92-F172 HydrophobicContact CZ-CZ 4.46Å; M97-F172 HydrophobicContact CE-CD2 3.96Å; M97-F172 HydrophobicContact CE-CE2 3.65Å; M97-F172 HydrophobicContact CE-CZ 3.95Å; I142-F172 HydrophobicContact CG2-CE1 4.3Å; I142-F172 HydrophobicContact CG2-CZ 3.65Å; Y146-F172 HydrophobicContact CD1-CD1 4.22Å; Y146-F172 HydrophobicContact CD1-CE1 4.33Å; Y146-F172 AromaticContact CD2-CD1 3.6Å; Y146-F172 HydrophobicContact CD2-CD1 3.6Å; Y146-F172 AromaticContact CD2-CE1 3.98Å; Y146-F172 HydrophobicContact CD2-CE1 3.98Å; Y146-F172 HydrophobicContact CE1-CD1 4.46Å; Y146-F172 AromaticContact CE2-CD1 3.85Å; Y146-F172 HydrophobicContact CE2-CD1 3.85Å; Y146-F172 AromaticContact CG-CD1 3.78Å; Y146-F172 HydrophobicContact CG-CD1 3.78Å; Y146-F172 AromaticContact CG-CE1 3.78Å; Y146-F172 HydrophobicContact CG-CE1 3.78Å; V157-F172 HydrophobicContact CG1-CD1 4.35Å; V157-F172 HydrophobicContact CG1-CE1 4.15Å; V157-F172 HydrophobicContact CG2-CD1 3.75Å; V157-F172 HydrophobicContact CG2-CE1 4.22Å; V157-F172 HydrophobicContact CG2-CG 4.42Å; V170-F172 HydrophobicContact CB-CE2 3.95Å; V170-F172 HydrophobicContact CB-CZ 4.15Å; V170-F172 HydrophobicContact CG1-CD2 4.46Å; V170-F172 HydrophobicContact CG1-CE1 4.11Å; V170-F172 HydrophobicContact CG1-CE2 3.55Å; V170-F172 HydrophobicContact CG1-CZ 3.35Å; F172-S174 PolarHBondContact O-N 3.32Å; F172-M175 HydrophobicContact CB-CG 4.17Å; F172-M175 WeakPolarHBondContact CB-O 3.4Å; F172-M175 HydrophobicContact CD2-CG 4.17Å; F172-M175 WeakPolarHBondContact CD2-O 3.45Å; F172-M175 HydrophobicContact CG-CG 4.45Å; F172-M175 PolarHBondContact N-O 3.19Å; F172-I177 HydrophobicContact CD2-CD1 4.42Å; F172-I177 HydrophobicContact CD2-CG1 4.34Å; F172-I177 HydrophobicContact CE2-CD1 3.41Å; F172-I177 VanDerWaalsContact CE2-CD1 3.41Å; F172-I177 HydrophobicContact CE2-CG1 3.69Å; F172-I177 HydrophobicContact CZ-CD1 3.92Å
173G87.8Confident91.9Very high49 Ų4947 Ų4751%0.50526%0.264SS..SBendtrans89-63.3-174.200000112.4D171D171-G173 PolarHBondContact OD1-N 3.26Å
174S88.9Confident92.3Very high55 Ų5539.9 Ų39.939%0.38523%0.227SC..SBendtrans-78.3-2617856.80000113.5T121 D122 Y123 F172T121-S174 VanDerWaalsContact OG1-C 3.29Å; T121-S174 PolarHBondContact OG1-O 3.15Å; T121-S174 VanDerWaalsContact OG1-O 3.06Å; D122-S174 VanDerWaalsContact CB-O 3.29Å; D122-S174 WeakPolarHBondContact CB-O 3.47Å; D122-S174 PolarHBondContact N-O 3.25Å; Y123-S174 PolarHBondContact N-O 3.24Å; F172-S174 PolarHBondContact O-N 3.32Å
175M92.9Very high92.8Very high3 Ų337 Ų372%0.01521%0.207CC..EExtended strand (participates in β ladder)trans-142.1151.9175.361.1176.8147.600110.9F92 M97 T121 Y123 F172F92-M175 HydrophobicContact CD1-CE 3.17Å; F92-M175 HydrophobicContact CE1-CE 3.21Å; F92-M175 HydrophobicContact CG-CE 4.15Å; F92-M175 HydrophobicContact CZ-CE 4.17Å; F92-M175 WeakPolarHBondContact O-CE 3.28Å; M97-M175 HydrophobicContact CB-CE 4.29Å; M97-M175 HydrophobicContact CB-SD 4Å; M97-M175 HydrophobicContact CE-CE 3.6Å; M97-M175 HydrophobicContact CE-CG 4.34Å; M97-M175 HydrophobicContact CE-SD 3.49Å; M97-M175 WeakPolarHBondContact CE-SD 3.41Å; M97-M175 HydrophobicContact CG-SD 4.12Å; T121-M175 VanDerWaalsContact OG1-CA 3.27Å; T121-M175 WeakPolarHBondContact OG1-CA 3.36Å; T121-M175 PolarHBondContact OG1-N 3.11Å; Y123-M175 VanDerWaalsContact O-CA 3.23Å; Y123-M175 WeakPolarHBondContact O-CA 3.48Å; Y123-M175 WeakPolarHBondContact O-CB 3.49Å; F172-M175 HydrophobicContact CB-CG 4.17Å; F172-M175 WeakPolarHBondContact CB-O 3.4Å; F172-M175 HydrophobicContact CD2-CG 4.17Å; F172-M175 WeakPolarHBondContact CD2-O 3.45Å; F172-M175 HydrophobicContact CG-CG 4.45Å; F172-M175 PolarHBondContact N-O 3.19Å
176V93.8Very high93.2Very high3 Ų339.9 Ų39.92%0.01822%0.218CC..EExtended strand (participates in β ladder)trans-122.4140.4174.8670000109.9Y120 T121 Y123 F124 V125 D171Y120-V176 HydrophobicContact CE1-CG1 4.19Å; T121-V176 HydrophobicContact CG2-CG1 4Å; Y123-V176 PolarHBondContact O-N 3.12Å; F124-V176 HydrophobicContact CB-CG1 4.43Å; F124-V176 HydrophobicContact CD2-CG1 3.26Å; F124-V176 HydrophobicContact CE2-CG1 3.67Å; F124-V176 HydrophobicContact CG-CG1 4.07Å; V125-V176 PolarHBondContact N-O 3.26Å; D171-V176 HydrophobicContact CB-CG2 4.34Å
177I95.3Very high93.3Very high0 Ų041.7 Ų41.70%023%0.227CC..EExtended strand (participates in β ladder)trans-114131.3174.4-46.1168.4000109.4M97 V125 I142 C169 V170 F172 L179M97-I177 HydrophobicContact CE-CD1 3.3Å; M97-I177 HydrophobicContact CE-CG1 3.77Å; M97-I177 HydrophobicContact CG-CD1 4.26Å; M97-I177 HydrophobicContact SD-CD1 3.19Å; M97-I177 WeakPolarHBondContact SD-CD1 3.19Å; M97-I177 HydrophobicContact SD-CG1 3.98Å; V125-I177 HydrophobicContact CB-CG1 4.36Å; V125-I177 HydrophobicContact CB-CG2 4.44Å; V125-I177 HydrophobicContact CG1-CG2 4.35Å; V125-I177 CarbonylContact O-C 3.55Å; V125-I177 VanDerWaalsContact O-CA 3.31Å; V125-I177 WeakPolarHBondContact O-CA 3.23Å; I142-I177 HydrophobicContact CD1-CD1 4Å; I142-I177 HydrophobicContact CG2-CD1 3.94Å; C169-I177 CarbonylContact C-O 3.53Å; C169-I177 VanDerWaalsContact CA-O 3.24Å; C169-I177 WeakPolarHBondContact CA-O 3.01Å; V170-I177 PolarHBondContact N-O 2.96Å; V170-I177 PolarHBondContact O-N 2.7Å; F172-I177 HydrophobicContact CD2-CD1 4.42Å; F172-I177 HydrophobicContact CD2-CG1 4.34Å; F172-I177 HydrophobicContact CE2-CD1 3.41Å; F172-I177 VanDerWaalsContact CE2-CD1 3.41Å; F172-I177 HydrophobicContact CE2-CG1 3.69Å; F172-I177 HydrophobicContact CZ-CD1 3.92Å; I177-L179 HydrophobicContact CG2-CD2 3.79Å; I177-L179 HydrophobicContact CG2-CG 3.86Å
178H95.5Very high93.1Very high16 Ų1644.1 Ų44.17%0.07424%0.237CC..EExtended strand (participates in β ladder)trans-108.9118.3165.1-67.3-94000109.4F124 V125 I126 G127 W167F124-H178 AromaticContact CE1-CD2 3.81Å; F124-H178 AromaticContact CE2-CD2 3.42Å; F124-H178 VanDerWaalsContact CE2-CD2 3.42Å; F124-H178 WeakPolarHBondContact CE2-CD2 3.37Å; F124-H178 AromaticContact CE2-NE2 3.26Å; F124-H178 VanDerWaalsContact CE2-NE2 3.26Å; F124-H178 WeakPolarHBondContact CE2-NE2 3.35Å; F124-H178 AromaticContact CZ-CD2 3.12Å; F124-H178 WeakPolarHBondContact CZ-CD2 3.33Å; F124-H178 AromaticContact CZ-CG 3.96Å; F124-H178 AromaticContact CZ-NE2 3.32Å; F124-H178 VanDerWaalsContact CZ-NE2 3.32Å; F124-H178 WeakPolarHBondContact CZ-NE2 3.31Å; V125-H178 PolarHBondContact O-N 3.25Å; I126-H178 WeakPolarHBondContact CA-O 3.32Å; G127-H178 PolarHBondContact N-O 2.95Å; W167-H178 AromaticContact CE2-ND1 3.57Å; W167-H178 AromaticContact CZ2-CE1 3.93Å; W167-H178 AromaticContact CZ2-ND1 3.41Å; W167-H178 WeakPolarHBondContact CZ2-ND1 3.27Å; W167-H178 AromaticContact NE1-CG 3.86Å; W167-H178 AromaticContact NE1-ND1 3.17Å; W167-H178 PolarHBondContact NE1-ND1 3.21Å; W167-H178 VanDerWaalsContact NE1-ND1 3.17Å
179L95.4Very high93Very high0 Ų046.5 Ų46.50%025%0.248CC..EExtended strand (participates in β ladder)trans-108116.1176.4-64.7178.1000108.3L101 G127 L135 M138 A139 I142 M168 I177L101-L179 HydrophobicContact CD2-CD2 4.03Å; G127-L179 WeakPolarHBondContact O-CA 3.12Å; L135-L179 HydrophobicContact CD2-CB 3.9Å; M138-L179 HydrophobicContact CB-CD1 4.38Å; M138-L179 HydrophobicContact CG-CD1 4.26Å; M138-L179 HydrophobicContact SD-CD1 4.22Å; M138-L179 HydrophobicContact SD-CD2 3.69Å; A139-L179 HydrophobicContact CB-CD1 3.89Å; I142-L179 HydrophobicContact CD1-CD1 4.48Å; M168-L179 PolarHBondContact N-O 3.37Å; M168-L179 PolarHBondContact O-N 3.34Å; I177-L179 HydrophobicContact CG2-CD2 3.79Å; I177-L179 HydrophobicContact CG2-CG 3.86Å
180M95.4Very high92.9Very high1 Ų145.5 Ų45.51%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-141.6164.5-176.455.4179.8163.500112.9I126 G127 S128 G129 D166 W167 T184 R185 L190I126-M180 HydrophobicContact CG2-CE 3.34Å; G127-M180 PolarHBondContact O-N 3Å; G127-M180 VanDerWaalsContact O-N 3.09Å; S128-M180 VanDerWaalsContact CA-O 3.23Å; S128-M180 WeakPolarHBondContact CA-O 3.42Å; G129-M180 PolarHBondContact N-O 2.88Å; D166-M180 VanDerWaalsContact O-CA 3.29Å; D166-M180 WeakPolarHBondContact O-CA 3.34Å; W167-M180 HydrophobicContact CB-CB 4.42Å; W167-M180 HydrophobicContact CG-CB 4.4Å; M180-T184 HydrophobicContact CB-CG2 4.3Å; M180-T184 HydrophobicContact SD-CG2 4.41Å; M180-R185 HydrophobicContact CE-CB 3.68Å; M180-R185 HydrophobicContact CE-CG 3.54Å; M180-R185 HydrophobicContact CG-CB 4.19Å; M180-R185 HydrophobicContact SD-CB 3.83Å; M180-R185 HydrophobicContact SD-CG 4.36Å; M180-L190 HydrophobicContact CE-CD1 4.03Å; M180-L190 HydrophobicContact CE-CG 4.43Å; M180-L190 HydrophobicContact SD-CD1 4.45Å
181L95.3Very high92.7Very high27 Ų2748.7 Ų48.714%0.14126%0.255CS..  trans-69.9153.2169.6-68.9176.4000110.8T132 L135 D166 E183 T184 R185T132-L181 HydrophobicContact CG2-CD1 4.15Å; L135-L181 HydrophobicContact CD1-CD2 3.96Å; L135-L181 HydrophobicContact CD1-CG 3.94Å; D166-L181 HydrophobicContact CB-CD1 4.29Å; D166-L181 PolarHBondContact O-N 3.21Å; L181-E183 VanDerWaalsContact C-N 3.27Å; L181-E183 PolarHBondContact O-N 3.12Å; L181-T184 WeakPolarHBondContact O-CB 3.37Å; L181-T184 PolarHBondContact O-N 2.88Å; L181-R185 PolarHBondContact O-N 3.42Å
182P94.4Very high92.6Very high69 Ų6948.5 Ų48.545%0.44825%0.25SS..Hα-helixtrans-60.4-37.3178.123.9-34.1000112.3G129 R185 E186G129-P182 WeakPolarHBondContact O-CD 3.49Å; P182-R185 WeakPolarHBondContact O-CB 3.46Å; P182-R185 PolarHBondContact O-N 2.97Å; P182-E186 PolarHBondContact O-N 3.27Å; P182-E186 VanDerWaalsContact O-N 3.1Å
183E93.8Very high92.5Very high142 Ų14249.9 Ų49.966%0.66426%0.258SS*.Hα-helixtrans-60.8-46.6175.8-176.2175.6-174.900111.7L181 R185 E186 I187L181-E183 VanDerWaalsContact C-N 3.27Å; L181-E183 PolarHBondContact O-N 3.12Å; E183-R185 VanDerWaalsContact C-N 3.28Å; E183-R185 PolarHBondContact O-N 3.1Å; E183-E186 PolarHBondContact O-N 2.88Å; E183-I187 HydrophobicContact CG-CD1 4.35Å; E183-I187 WeakPolarHBondContact O-CG1 3.46Å; E183-I187 PolarHBondContact O-N 2.95Å
184T93.5Very high92.6Very high15 Ų1549.6 Ų49.69%0.09224%0.242CC..Hα-helixtrans-60.7-38.7175.1-500000111.7M180 L181 E186 I187 Y188M180-T184 HydrophobicContact CB-CG2 4.3Å; M180-T184 HydrophobicContact SD-CG2 4.41Å; L181-T184 WeakPolarHBondContact O-CB 3.37Å; L181-T184 PolarHBondContact O-N 2.88Å; T184-E186 VanDerWaalsContact C-N 3.35Å; T184-E186 PolarHBondContact O-N 3.28Å; T184-I187 PolarHBondContact O-N 3.4Å; T184-Y188 HydrophobicContact CG2-CD2 3.54Å; T184-Y188 HydrophobicContact CG2-CE2 3.69Å; T184-Y188 VanDerWaalsContact O-CD2 3.31Å; T184-Y188 WeakPolarHBondContact O-CD2 3.46Å; T184-Y188 PolarHBondContact O-N 3.06Å
185R94.1Very high92.5Very high13 Ų1351.1 Ų51.15%0.04925%0.248CC..Hα-helixtrans-64.1-38.7179-177.6168.5-173.6173.4-11.8112.8D108 C110 S128 M180 L181 P182 E183 I187 E189 E191D108-R185 PolarHBondContact O-NH1 3.19Å; D108-R185 IonicContact OD1-CZ 2.65Å; D108-R185 IonicContact OD1-NH1 3.24Å; D108-R185 IonicContact OD1-NH2 2.69Å; D108-R185 PolarHBondContact OD1-NH2 3.32Å; D108-R185 IonicContact OD2-CZ 3.5Å; D108-R185 VanDerWaalsContact OD2-CZ 3.24Å; D108-R185 IonicContact OD2-NE 3.92Å; D108-R185 IonicContact OD2-NH1 3.51Å; D108-R185 PolarHBondContact OD2-NH1 2.89Å; D108-R185 IonicContact OD2-NH2 2.92Å; D108-R185 PolarHBondContact OD2-NH2 3.09Å; C110-R185 VanDerWaalsContact CB-NH2 3.35Å; S128-R185 VanDerWaalsContact OG-CD 3.28Å; S128-R185 WeakPolarHBondContact OG-CD 3.26Å; S128-R185 PolarHBondContact OG-NH1 3.47Å; M180-R185 HydrophobicContact CE-CB 3.68Å; M180-R185 HydrophobicContact CE-CG 3.54Å; M180-R185 HydrophobicContact CG-CB 4.19Å; M180-R185 HydrophobicContact SD-CB 3.83Å; M180-R185 HydrophobicContact SD-CG 4.36Å; L181-R185 PolarHBondContact O-N 3.42Å; P182-R185 WeakPolarHBondContact O-CB 3.46Å; P182-R185 PolarHBondContact O-N 2.97Å; E183-R185 VanDerWaalsContact C-N 3.28Å; E183-R185 PolarHBondContact O-N 3.1Å; R185-I187 VanDerWaalsContact C-N 3.32Å; R185-E189 WeakPolarHBondContact O-CA 3.45Å; R185-E189 PolarHBondContact O-N 2.93Å; R185-E191 IonicContact CZ-OE1 3.33Å; R185-E191 IonicContact NE-OE1 3.67Å; R185-E191 PolarHBondContact NE-OE1 3.5Å; R185-E191 IonicContact NH2-OE1 3.77Å; R185-E191 PolarHBondContact NH2-OE1 3.48Å; R185-E191 IonicContact NH2-OE2 3.34Å
186E91.7Very high92.1Very high146 Ų14654.7 Ų54.768%0.68227%0.267SS*.Hα-helixtrans-68.7-31.1175.7-69.7175-166.800112.4P182 E183 T184 E189P182-E186 PolarHBondContact O-N 3.27Å; P182-E186 VanDerWaalsContact O-N 3.1Å; E183-E186 PolarHBondContact O-N 2.88Å; T184-E186 VanDerWaalsContact C-N 3.35Å; T184-E186 PolarHBondContact O-N 3.28Å; E186-E189 WeakPolarHBondContact O-CG 3.35Å
187I91.9Very high91.2Very high115 Ų11558.8 Ų58.859%0.5928%0.282SS*.Hα-helixtrans-75.6-45.7178.7-65.4164.6000111.4E183 T184 R185E183-I187 HydrophobicContact CG-CD1 4.35Å; E183-I187 WeakPolarHBondContact O-CG1 3.46Å; E183-I187 PolarHBondContact O-N 2.95Å; T184-I187 PolarHBondContact O-N 3.4Å; R185-I187 VanDerWaalsContact C-N 3.32Å
188Y90.4Very high90Very high130 Ų13063.4 Ų63.451%0.5132%0.315SS..Hα-helixtrans-90.2-18.9-174.1-73.4-79.1000114T184 L190T184-Y188 HydrophobicContact CG2-CD2 3.54Å; T184-Y188 HydrophobicContact CG2-CE2 3.69Å; T184-Y188 VanDerWaalsContact O-CD2 3.31Å; T184-Y188 WeakPolarHBondContact O-CD2 3.46Å; T184-Y188 PolarHBondContact O-N 3.06Å; Y188-L190 PolarHBondContact O-N 3.44Å
189E91.7Very high89Confident52 Ų5271.6 Ų71.624%0.24335%0.347CS..  trans41.941.8176.3-55.6-165.712800114.5R185 E186 E191 K192 L193 Q202R185-E189 WeakPolarHBondContact O-CA 3.45Å; R185-E189 PolarHBondContact O-N 2.93Å; E186-E189 WeakPolarHBondContact O-CG 3.35Å; E189-E191 PolarHBondContact O-N 2.93Å; E189-K192 HydrophobicContact CB-CD 4.27Å; E189-K192 HydrophobicContact CB-CG 4.47Å; E189-K192 PolarHBondContact O-N 3.07Å; E189-K192 IonicContact OE1-NZ 2.71Å; E189-K192 PolarHBondContact OE1-NZ 3.36Å; E189-K192 WeakPolarHBondContact OE2-CE 3.36Å; E189-K192 IonicContact OE2-NZ 2.73Å; E189-K192 PolarHBondContact OE2-NZ 2.89Å; E189-L193 PolarHBondContact O-N 2.99Å; E189-Q202 PolarHBondContact OE2-NE2 2.81Å
190L91.5Very high87.9Confident14 Ų1472.6 Ų72.67%0.07335%0.352CS..Hα-helixtrans-54.7-29.4-172.3-65.6179.9000113I126 W167 M180 Y188 K192 L193 W194I126-L190 HydrophobicContact CD1-CB 4.06Å; W167-L190 HydrophobicContact CZ2-CD1 4.07Å; M180-L190 HydrophobicContact CE-CD1 4.03Å; M180-L190 HydrophobicContact CE-CG 4.43Å; M180-L190 HydrophobicContact SD-CD1 4.45Å; Y188-L190 PolarHBondContact O-N 3.44Å; L190-K192 VanDerWaalsContact C-N 3.32Å; L190-K192 PolarHBondContact O-N 3.28Å; L190-L193 HydrophobicContact CD2-CD2 4.14Å; L190-L193 PolarHBondContact O-N 2.85Å; L190-W194 PolarHBondContact O-N 2.72Å
191E91.8Very high86.6Confident67 Ų6778.4 Ų78.431%0.31338%0.383SS..Hα-helixtrans-57.5-43.8175.5-67.1174.1-12600112.8C110 I126 R185 E189 T195C110-E191 HydrophobicContact CB-CG 4.32Å; I126-E191 HydrophobicContact CD1-CG 3.58Å; R185-E191 IonicContact CZ-OE1 3.33Å; R185-E191 IonicContact NE-OE1 3.67Å; R185-E191 PolarHBondContact NE-OE1 3.5Å; R185-E191 IonicContact NH2-OE1 3.77Å; R185-E191 PolarHBondContact NH2-OE1 3.48Å; R185-E191 IonicContact NH2-OE2 3.34Å; E189-E191 PolarHBondContact O-N 2.93Å; E191-T195 WeakPolarHBondContact O-CB 3.24Å; E191-T195 VanDerWaalsContact O-CG2 3.26Å; E191-T195 WeakPolarHBondContact O-CG2 3.37Å; E191-T195 PolarHBondContact O-N 3.41Å; E191-T195 VanDerWaalsContact O-N 3.08Å; E191-T195 PolarHBondContact O-OG1 3.2Å
192K89.6Confident85.2Confident85 Ų8581.9 Ų81.937%0.3740%0.398SS..Hα-helixtrans-68.7-44.2178.2-63.9-176.5-168.2165.10110.4E189 L190 W194 T195 L196E189-K192 HydrophobicContact CB-CD 4.27Å; E189-K192 HydrophobicContact CB-CG 4.47Å; E189-K192 PolarHBondContact O-N 3.07Å; E189-K192 IonicContact OE1-NZ 2.71Å; E189-K192 PolarHBondContact OE1-NZ 3.36Å; E189-K192 WeakPolarHBondContact OE2-CE 3.36Å; E189-K192 IonicContact OE2-NZ 2.73Å; E189-K192 PolarHBondContact OE2-NZ 2.89Å; L190-K192 VanDerWaalsContact C-N 3.32Å; L190-K192 PolarHBondContact O-N 3.28Å; K192-W194 VanDerWaalsContact C-N 3.3Å; K192-W194 PolarHBondContact O-N 3.2Å; K192-T195 PolarHBondContact O-N 3.14Å; K192-T195 PolarHBondContact O-OG1 3.43Å; K192-L196 HydrophobicContact CB-CD1 4.47Å; K192-L196 WeakPolarHBondContact O-CB 3.24Å; K192-L196 PolarHBondContact O-N 3.09Å
193L87.9Confident83.6Confident46 Ų4682 Ų8224%0.24140%0.395CS..Hα-helixtrans-54.6-46.5178.3177.964.3000111.9E189 L190 R197 L203E189-L193 PolarHBondContact O-N 2.99Å; L190-L193 HydrophobicContact CD2-CD2 4.14Å; L190-L193 PolarHBondContact O-N 2.85Å; L193-R197 WeakPolarHBondContact O-CA 3.23Å; L193-R197 WeakPolarHBondContact O-CD 3.25Å; L193-R197 WeakPolarHBondContact O-CG 3.41Å; L193-R197 PolarHBondContact O-N 3.22Å; L193-L203 HydrophobicContact CD1-CD1 3.79Å; L193-L203 HydrophobicContact CD1-CD2 4.28Å; L193-L203 HydrophobicContact CD1-CG 4.44Å
194W89.2Confident82.2Confident43 Ų4379.5 Ų79.516%0.16340%0.398CS..Hα-helixtrans-84.3-20.7-175-73.795.5000114.1I112 V114 M118 Y120 F124 L190 K192 R197I112-W194 HydrophobicContact CD1-CB 3.94Å; V114-W194 HydrophobicContact CG2-CE3 4.38Å; M118-W194 HydrophobicContact SD-CE3 4.42Å; M118-W194 HydrophobicContact SD-CZ3 3.9Å; Y120-W194 AromaticContact CD1-CH2 3.31Å; Y120-W194 HydrophobicContact CD1-CH2 3.31Å; Y120-W194 HydrophobicContact CD1-CZ2 4.28Å; Y120-W194 AromaticContact CD1-CZ3 3.74Å; Y120-W194 HydrophobicContact CD1-CZ3 3.74Å; Y120-W194 AromaticContact CE1-CH2 3.44Å; Y120-W194 HydrophobicContact CE1-CH2 3.44Å; Y120-W194 VanDerWaalsContact CE1-CH2 3.44Å; Y120-W194 AromaticContact CE1-CZ2 3.96Å; Y120-W194 HydrophobicContact CE1-CZ2 3.96Å; Y120-W194 HydrophobicContact CE1-CZ3 4.22Å; Y120-W194 HydrophobicContact CG-CH2 4.09Å; F124-W194 HydrophobicContact CD1-CG 4.27Å; F124-W194 HydrophobicContact CD2-CD2 4.13Å; F124-W194 AromaticContact CD2-CE2 3.94Å; F124-W194 HydrophobicContact CD2-CE3 4.45Å; F124-W194 HydrophobicContact CD2-CH2 4.47Å; F124-W194 HydrophobicContact CD2-CZ2 4.14Å; F124-W194 AromaticContact CE1-CD1 3.66Å; F124-W194 HydrophobicContact CE1-CG 4.24Å; F124-W194 AromaticContact CE1-NE1 3.77Å; F124-W194 HydrophobicContact CE2-CD2 4.18Å; F124-W194 AromaticContact CE2-CE2 3.54Å; F124-W194 HydrophobicContact CE2-CH2 4.42Å; F124-W194 AromaticContact CE2-CZ2 3.7Å; F124-W194 HydrophobicContact CE2-CZ2 3.7Å; F124-W194 AromaticContact CE2-NE1 3.58Å; F124-W194 HydrophobicContact CG-CD2 4.36Å; F124-W194 HydrophobicContact CG-CG 4.45Å; F124-W194 AromaticContact CZ-CD1 3.71Å; F124-W194 HydrophobicContact CZ-CD2 4.42Å; F124-W194 AromaticContact CZ-CE2 3.79Å; F124-W194 HydrophobicContact CZ-CG 4.41Å; F124-W194 HydrophobicContact CZ-CZ2 4.32Å; F124-W194 AromaticContact CZ-NE1 3.3Å; F124-W194 VanDerWaalsContact CZ-NE1 3.3Å; L190-W194 PolarHBondContact O-N 2.72Å; K192-W194 VanDerWaalsContact C-N 3.3Å; K192-W194 PolarHBondContact O-N 3.2Å; W194-R197 VanDerWaalsContact CE3-NH2 3.34Å
195T87.9Confident80.8Confident86 Ų8686.2 Ų86.253%0.52843%0.429SS..Hα-helixtrans-94.6-43.4177.855.50000113.3I112 E191 K192I112-T195 HydrophobicContact CD1-CG2 4.1Å; I112-T195 HydrophobicContact CG1-CG2 4.32Å; I112-T195 HydrophobicContact CG2-CG2 4.3Å; E191-T195 WeakPolarHBondContact O-CB 3.24Å; E191-T195 VanDerWaalsContact O-CG2 3.26Å; E191-T195 WeakPolarHBondContact O-CG2 3.37Å; E191-T195 PolarHBondContact O-N 3.41Å; E191-T195 VanDerWaalsContact O-N 3.08Å; E191-T195 PolarHBondContact O-OG1 3.2Å; K192-T195 PolarHBondContact O-N 3.14Å; K192-T195 PolarHBondContact O-OG1 3.43Å
196L84.7Confident79.6Confident79 Ų7991.2 Ų91.241%0.41446%0.455SS..Hα-helixtrans-95.4-24.5-172.7-63.2178.3000113.2K192 S198 Y199K192-L196 HydrophobicContact CB-CD1 4.47Å; K192-L196 WeakPolarHBondContact O-CB 3.24Å; K192-L196 PolarHBondContact O-N 3.09Å; L196-S198 VanDerWaalsContact C-N 3.32Å; L196-S198 PolarHBondContact O-N 3.27Å; L196-Y199 WeakPolarHBondContact O-CD2 3.38Å; L196-Y199 PolarHBondContact O-N 2.82Å
197R73.9Confident78.1Confident88 Ų8887.6 Ų87.633%0.33245%0.45SS..THydrogen-bonded Turntrans41.6-79174.2-76.9-69.8-160.2-165.85.1115.4M118 L193 W194 L203M118-R197 VanDerWaalsContact CE-CZ 3.47Å; M118-R197 PolarHBondContact SD-NH2 3.18Å; L193-R197 WeakPolarHBondContact O-CA 3.23Å; L193-R197 WeakPolarHBondContact O-CD 3.25Å; L193-R197 WeakPolarHBondContact O-CG 3.41Å; L193-R197 PolarHBondContact O-N 3.22Å; W194-R197 VanDerWaalsContact CE3-NH2 3.34Å; R197-L203 WeakPolarHBondContact O-CD1 3.46Å
198S71.5Confident76.7Confident98 Ų9887.7 Ų87.769%0.68546%0.458SS*.THydrogen-bonded Turntrans-83.9-14.3179.553.60000115.2L196L196-S198 VanDerWaalsContact C-N 3.32Å; L196-S198 PolarHBondContact O-N 3.27Å
199Y73.4Confident75.4Confident188 Ų18890.4 Ų90.474%0.73748%0.475SS*.SBendtrans-104.310.9-174-60.6-77.9000113.4L196L196-Y199 WeakPolarHBondContact O-CD2 3.38Å; L196-Y199 PolarHBondContact O-N 2.82Å
200D72Confident74.1Confident21 Ų2193.8 Ų93.811%0.11250%0.5CS..  trans-86.3118.2177.7-163.6-17.9000110.8Q202 L203 A204D200-Q202 PolarHBondContact O-N 3.15Å; D200-Q202 PolarHBondContact OD1-N 2.86Å; D200-L203 HydrophobicContact CB-CB 4.37Å; D200-L203 HydrophobicContact CB-CD1 4.09Å; D200-L203 HydrophobicContact CB-CG 4.19Å; D200-L203 PolarHBondContact O-N 3.36Å; D200-L203 VanDerWaalsContact O-N 3.12Å; D200-A204 PolarHBondContact O-N 2.92Å
201D69Low72.8Confident122 Ų12298.3 Ų98.365%0.65253%0.528SS*.Hα-helixtrans-60.2-26.8177.7-66.4-36.8000112.2Q205D201-Q205 VanDerWaalsContact O-CG 3.28Å; D201-Q205 WeakPolarHBondContact O-CG 3.45Å; D201-Q205 PolarHBondContact O-N 3.31Å; D201-Q205 PolarHBondContact O-NE2 2.99Å
202Q65.5Low71.9Confident100 Ų10099 Ų9947%0.46754%0.538SS..Hα-helixtrans-69.6-38.8176-66.5-176.32.100111.9E189 D200 A204 Q205 I206E189-Q202 PolarHBondContact OE2-NE2 2.81Å; D200-Q202 PolarHBondContact O-N 3.15Å; D200-Q202 PolarHBondContact OD1-N 2.86Å; Q202-A204 VanDerWaalsContact C-N 3.34Å; Q202-Q205 PolarHBondContact O-N 2.89Å; Q202-I206 PolarHBondContact O-N 3.13Å
203L61.3Low70.7Confident73 Ų73103.1 Ų103.138%0.38256%0.559SS.*Hα-helixtrans-70.6-33.9176.4-71.2175.4000111.7L193 R197 D200 Q205 I206L193-L203 HydrophobicContact CD1-CD1 3.79Å; L193-L203 HydrophobicContact CD1-CD2 4.28Å; L193-L203 HydrophobicContact CD1-CG 4.44Å; R197-L203 WeakPolarHBondContact O-CD1 3.46Å; D200-L203 HydrophobicContact CB-CB 4.37Å; D200-L203 HydrophobicContact CB-CD1 4.09Å; D200-L203 HydrophobicContact CB-CG 4.19Å; D200-L203 PolarHBondContact O-N 3.36Å; D200-L203 VanDerWaalsContact O-N 3.12Å; L203-Q205 PolarHBondContact O-N 3.01Å; L203-I206 HydrophobicContact CD2-CD1 4.36Å; L203-I206 PolarHBondContact O-N 3.44Å
204A63.4Low69.4Low88 Ų88108.1 Ų108.173%0.72759%0.586SS**Hα-helixtrans-64.4-21.8174.200000113D200 Q202D200-A204 PolarHBondContact O-N 2.92Å; Q202-A204 VanDerWaalsContact C-N 3.34Å
205Q65Low68.1Low156 Ų156113.8 Ų113.873%0.72961%0.612SS**Hα-helixtrans-95.6-16-179.1-70.2171.233.700114.1D201 Q202 L203 A207D201-Q205 VanDerWaalsContact O-CG 3.28Å; D201-Q205 WeakPolarHBondContact O-CG 3.45Å; D201-Q205 PolarHBondContact O-N 3.31Å; D201-Q205 PolarHBondContact O-NE2 2.99Å; Q202-Q205 PolarHBondContact O-N 2.89Å; L203-Q205 PolarHBondContact O-N 3.01Å; Q205-A207 PolarHBondContact O-N 3.18Å
206I67.6Low67.1Low119 Ų119115.7 Ų115.761%0.6162%0.618SS**SBendtrans-70.1104.1169.3-72.5167.2000106.6Q202 L203Q202-I206 PolarHBondContact O-N 3.13Å; L203-I206 HydrophobicContact CD2-CD1 4.36Å; L203-I206 PolarHBondContact O-N 3.44Å
207A60.4Low66.1Low70 Ų70120 Ų12058%0.57964%0.64SS**  trans-53.5132.4169.100000107.4Q205 E209Q205-A207 PolarHBondContact O-N 3.18Å; A207-E209 VanDerWaalsContact C-N 3.29Å; A207-E209 PolarHBondContact O-N 3.21Å
208P63.2Low65.2Low116 Ų116119 Ų11975%0.75366%0.657SS**  trans-61.6101.6171.425.4-30.8000106.1T210P208-T210 VanDerWaalsContact C-N 3.27Å; P208-T210 PolarHBondContact O-N 3.04Å
209E62.1Low64.3Low187 Ų187121 Ų12187%0.87466%0.659SS**  trans-62.5101.5169.2-74.2-159.5166.900105.6A207 V211A207-E209 VanDerWaalsContact C-N 3.29Å; A207-E209 PolarHBondContact O-N 3.21Å; E209-V211 PolarHBondContact O-N 3.01Å
210T64.3Low63.2Low123 Ų123121 Ų12176%0.75567%0.665SS**  trans-62107.5172.351.60000105.9P208 P212P208-T210 VanDerWaalsContact C-N 3.27Å; P208-T210 PolarHBondContact O-N 3.04Å; T210-P212 WeakPolarHBondContact O-CD 3.29Å
211V64.3Low62.4Low109 Ų109128.6 Ų128.666%0.66170%0.7SS**  trans-53.3125.2170.1-144.80000106.3E209 E213 F215E209-V211 PolarHBondContact O-N 3.01Å; V211-E213 PolarHBondContact O-N 3.27Å; V211-F215 HydrophobicContact CG1-CB 3.98Å; V211-F215 HydrophobicContact CG1-CG 4.47Å
212P73.5Confident61.7Low81 Ų81129.4 Ų129.453%0.52671%0.705SS.*  trans-53.1139176.9-26.234.3000109.9T210 D214 F215T210-P212 WeakPolarHBondContact O-CD 3.29Å; P212-D214 PolarHBondContact O-N 2.83Å; P212-F215 PolarHBondContact O-N 2.7Å
213E63.8Low60.7Low173 Ų173131.2 Ų131.281%0.80872%0.717SS**G310 helixtrans-56.3-25.3-176.4-62.6-175.4173.200112V211 F215 I216V211-E213 PolarHBondContact O-N 3.27Å; E213-F215 VanDerWaalsContact C-N 3.26Å; E213-F215 PolarHBondContact O-N 3.48Å; E213-I216 PolarHBondContact O-N 3.35Å
214D61.6Low60.4Low151 Ų151134.9 Ų134.981%0.80774%0.743SS**G310 helixtrans-66.5-14.9176.1-56.8-22.9000115.1P212P212-D214 PolarHBondContact O-N 2.83Å
215F61.8Low60.1Low161 Ų161135.6 Ų135.671%0.70674%0.743SS**G310 helixtrans-85.3-10176.9-113.8-91.7000113.3V211 P212 E213 L217V211-F215 HydrophobicContact CG1-CB 3.98Å; V211-F215 HydrophobicContact CG1-CG 4.47Å; P212-F215 PolarHBondContact O-N 2.7Å; E213-F215 VanDerWaalsContact C-N 3.26Å; E213-F215 PolarHBondContact O-N 3.48Å; F215-L217 VanDerWaalsContact C-N 3.27Å; F215-L217 PolarHBondContact O-N 3Å
216I66.8Low59.4Low127 Ų127133.2 Ų133.265%0.65174%0.743SS**SBendtrans-76.584.8169.8-54.3179.3000107.1E213 G218E213-I216 PolarHBondContact O-N 3.35Å; I216-G218 PolarHBondContact O-N 3.17Å
217L62.8Low58.5Low170 Ų170134.3 Ų134.389%0.8976%0.755SS**THydrogen-bonded Turntrans-63.2101.9175.1-75.6166.2000110.2F215F215-L217 VanDerWaalsContact C-N 3.27Å; F215-L217 PolarHBondContact O-N 3Å
218G55.6Low57.9Low67 Ų67136.1 Ų136.169%0.69176%0.759SS**THydrogen-bonded Turntrans111.343.5151.900000118I216I216-G218 PolarHBondContact O-N 3.17Å
219I52.1Low57.1Low140 Ų140136.1 Ų136.172%0.71876%0.759SS**  trans-117.490.7143.2-47.5176.9000105.8E221I219-E221 VanDerWaalsContact C-N 3.31Å; I219-E221 HydrophobicContact CG2-CG 4.33Å; I219-E221 PolarHBondContact O-N 2.67Å
220E50.9Low56.6Low186 Ų186132.8 Ų132.887%0.86975%0.752SS**  trans-63.199.2163.2-66.9177163.300106.6D222E220-D222 PolarHBondContact O-N 3.2Å; E220-D222 VanDerWaalsContact O-N 3.15Å
221E56.2Low55.9Low182 Ų182135.8 Ų135.885%0.8576%0.757SS**  trans-77.582.4161-71-171.5168.600107.7I219I219-E221 VanDerWaalsContact C-N 3.31Å; I219-E221 HydrophobicContact CG2-CG 4.33Å; I219-E221 PolarHBondContact O-N 2.67Å
222D54.4Low54.7Low139 Ų139140 Ų14074%0.74377%0.767SS**  trans-113.398.5157.7-1422.5000107.7E220E220-D222 PolarHBondContact O-N 3.2Å; E220-D222 VanDerWaalsContact O-N 3.15Å
223D43.5Very low53.1Low137 Ų137145 Ų14573%0.73378%0.78SS**  trans152.190.1135.7-78.7-34.4000110.9S225D223-S225 PolarHBondContact O-N 2.77Å
224T55.7Low52Low151 Ų151142.9 Ų142.993%0.92678%0.783SS**  trans-46.7103.4144.622.90000110.5
225S56.6Low51.4Low102 Ų102147.7 Ų147.771%0.71380%0.801SS**  trans-154.1130.4138.364.80000112.5D223D223-S225 PolarHBondContact O-N 2.77Å
226S49.9Very low50.9Low107 Ų107147 Ų14775%0.74881%0.805SS**  trans77.374.4172.773.30000117.7T228S226-T228 PolarHBondContact O-N 2.75Å
227V49.7Very low50Low141 Ų141148.1 Ų148.186%0.85581%0.814SS**  trans-56.1117.1143.1-170.50000107.7
228T47.7Very low49.3Very low108 Ų108146.8 Ų146.866%0.66381%0.809SS**  trans-114127.415253.50000107.4S226 V230S226-T228 PolarHBondContact O-N 2.75Å; T228-V230 PolarHBondContact O-N 3.08Å
229P46.1Very low49Very low117 Ų117151.5 Ų151.576%0.7682%0.816SS**  trans-69.5114.2174.6-13.227.8000108.6E231P229-E231 PolarHBondContact O-N 3.02Å
230V51.5Low48.8Very low117 Ų117152.3 Ų152.371%0.70982%0.822SS**  trans-78.6102.4165.2-177.10000106.6T228 F232T228-V230 PolarHBondContact O-N 3.08Å; V230-F232 PolarHBondContact O-N 3.05Å; V230-F232 VanDerWaalsContact O-N 3.12Å
231E49.2Very low48.6Very low185 Ų185150 Ų15086%0.86482%0.819SS**  trans-58.5111.4169.9-88.9-171.5130.900109.6P229 K233P229-E231 PolarHBondContact O-N 3.02Å; E231-K233 PolarHBondContact O-N 3.14Å
232F39.7Very low48.1Very low198 Ų198147.7 Ų147.787%0.86882%0.817SS**  trans-77.899.3163.5-97.7-93.6000108.7V230V230-F232 PolarHBondContact O-N 3.05Å; V230-F232 VanDerWaalsContact O-N 3.12Å
233K38.8Very low47.6Very low185 Ų185148.4 Ų148.480%0.80482%0.823SS**  trans-83.3114.4166.1-163.7156.2-177.7171.90108.4E231E231-K233 PolarHBondContact O-N 3.14Å
234C41.4Very low47.9Very low130 Ų130149.3 Ų149.388%0.87883%0.83SS**  trans-86.4117.3174.3-152.90000108.1
235E49Very low47.2Very low251 Ų251149.2 Ų149.2100%1.17382%0.821SS**  trans-1230160.2-101.8-178.5112.800108.4

Retrieved 235 of 235 residues in 536.3 ms (Link to these results)