A0A096NF21_PAPAN Loading...

Heteroous nuclear ribonucleoprotein D

AlphaFold DB (A0A024RDB4), UniProt , Accession A0A096NF21, Species PAPAN (Papio anubis, Olive baboon), Gene HNRNPD, Length 336 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
1M40.1Very low44.1Very low241 Ų241143.8 Ų143.8100%1.18785%0.852SS**  0109.90-66.7177.817200106.6
2S45.8Very low44Very low99 Ų99140.5 Ų140.569%0.69285%0.853SS**  cis179.7119.8-2.612.30000101.5
3E46.8Very low43.7Very low178 Ų178137.1 Ų137.183%0.83285%0.848SS**  43.5114.3111.9-86.4166.4101.700114.1
4E53.4Low43.2Very low190 Ų190134.5 Ų134.589%0.88885%0.847SS**  -153.9129.2128-109.9175.1137.300111.1
5Q50Low42.9Very low171 Ų171131.4 Ų131.480%0.79984%0.839SS**  trans-128.4129.8-171.3180-177.531.500104.1
6F49.3Very low42.4Very low202 Ų202132 Ų13289%0.88684%0.841SS**  trans-144.5115.7158.8-103.7-82.2000109.2
7G40.2Very low42.2Very low71 Ų71129.8 Ų129.873%0.73284%0.838SS**  trans-83.2174.4163.800000111.4
8G40Very low42Very low78 Ų78128.1 Ų128.180%0.80484%0.836SS**  trans178.397.8173.800000112.7
9D42Very low42.1Very low173 Ų173129.3 Ų129.393%0.92584%0.841SS**  trans-46.4161.1170.7-82-100000118.4
10G36.5Very low41.8Very low74 Ų74126.2 Ų126.276%0.76383%0.833SS**  trans111.5140.7146.400000114.3
11A41.2Very low41.5Very low105 Ų105124.2 Ų124.287%0.86884%0.835SS**  cis-167.6158.5-1.600000107.5
12A42.7Very low41.4Very low104 Ų104118.1 Ų118.186%0.8682%0.816SS**  trans-73.3151176.200000114.1
13A40.8Very low41.2Very low96 Ų96118 Ų11879%0.79382%0.822SS**  trans-167.3112.7144.800000106.7
14A36Very low40.5Very low101 Ų101113 Ų11384%0.83582%0.818SS**  65.4108.654.100000114
15A38.6Very low39.6Very low88 Ų88112.6 Ų112.673%0.72782%0.816SS**  trans166.8100.3140.500000109.1
16T35.8Very low39Very low141 Ų141112.6 Ų112.687%0.86582%0.816SS**  81.9115.775.453.70000115.7
17A37.7Very low38.3Very low95 Ų95112.6 Ų112.679%0.78582%0.818SS**  163.8108.9128.500000107.9
18A38.6Very low37.8Very low98 Ų98112.4 Ų112.481%0.8182%0.817SS**  62.4130.26700000110.7
19V43.8Very low37.4Very low152 Ų152113.4 Ų113.492%0.92182%0.817SS**  cis-168.2159.237.2163.40000105.9
20G36.7Very low36.9Very low67 Ų67113.7 Ų113.769%0.69182%0.815SS**  cis-163165.914.300000109.6
21G34.8Very low36.9Very low85 Ų85116.2 Ų116.288%0.87682%0.815SS**  88.41225700000108.6
22S39.7Very low36.5Very low113 Ų113115.4 Ų115.479%0.7981%0.809SS**  cis-146.5146.232.765.30000110.8
23A39.8Very low35.9Very low97 Ų97114.8 Ų114.880%0.80280%0.803SS**  49.9115.376.100000113.1
24G33.3Very low35.6Very low73 Ų73116 Ų11675%0.75380%0.801SS**  128.5157.977.400000105.4
25E35.3Very low35.7Very low180 Ų180120.5 Ų120.584%0.84181%0.805SS**  cis-173.1-171.816.1-145.1152.7116.700108.2
26Q36Very low35.4Very low172 Ų172119.4 Ų119.480%0.80480%0.802SS**  trans-79165.4-162.9-59161.1-48.400117.3
27E34Very low35.3Very low202 Ų202117.8 Ų117.894%0.94480%0.803SS**  trans162151.2131.1-93-164.7134.600107.5
28G29.6Very low35.2Very low67 Ų67117.5 Ų117.569%0.69180%0.801SS**  cis144153.518.400000108.4
29A32.6Very low34.9Very low99 Ų99117.8 Ų117.882%0.81880%0.803SS**  trans85.4116.5169.300000119.4
30M32Very low34.6Very low179 Ų179114.8 Ų114.888%0.88280%0.795SS**  60.8136.483.8-102.7-167174.600112.7
31V35.1Very low34.4Very low127 Ų127116.8 Ų116.877%0.7780%0.804SS**  cis-169.6151.624.4-103.30000104.7
32A33.1Very low34.1Very low88 Ų88115.6 Ų115.673%0.72779%0.792SS**  162.8125.677.400000106
33A31.3Very low33.8Very low90 Ų90116.4 Ų116.474%0.74480%0.798SS**  46.9114.297.600000116.8
34T34.1Very low33.3Very low122 Ų122115.7 Ų115.775%0.74880%0.8SS**  178.2125.4110.733.40000112.8
35Q38.4Very low33.2Very low195 Ų195117.5 Ų117.591%0.91181%0.808SS**  trans51.2140.7131.4-60.3172.5-5.600120.1
36G31.5Very low33Very low65 Ų65112.7 Ų112.767%0.6781%0.807SS**  cis-170.2149.79.200000108.8
37A34.7Very low32.7Very low107 Ų107111.9 Ų111.988%0.88481%0.813SS**  67.2132.3105.700000113.8
38A34.7Very low32.5Very low90 Ų90105.7 Ų105.774%0.74480%0.804SS**  cis-159.9144.630.200000109.2
39A32.9Very low32.5Very low103 Ų103106.8 Ų106.885%0.85182%0.815SS**  70139.1102.500000114.1
40A37.1Very low32.3Very low90 Ų90105.8 Ų105.874%0.74481%0.814SS**  cis-156.5141.520.300000107.9
41A31.5Very low32.3Very low108 Ų108104.3 Ų104.389%0.89382%0.816SS**  57.5136.892.400000114.1
42G30Very low32.1Very low61 Ų61102.9 Ų102.963%0.62982%0.817SS**  cis-163.3150.410.700000108.7
43S32.2Very low32.2Very low130 Ų130104.5 Ų104.591%0.90982%0.823SS**  65117.98871.10000114.4
44G29.7Very low32.1Very low82 Ų82103.9 Ų103.985%0.84583%0.826SS**  trans178.885.6166.600000112.2
45A32.4Very low31.9Very low111 Ų111101.5 Ų101.592%0.91783%0.825SS**  trans-70.4152.8166.600000110.8
46G29.2Very low31.5Very low79 Ų7998.2 Ų98.281%0.81482%0.819SS**  trans-179.599173.400000114.7
47T31.5Very low31.5Very low154 Ų154104.1 Ų104.195%0.94583%0.829SS**  trans-53.8153.5170.7-35.10000114.5
48G28.8Very low31.2Very low73 Ų73103.1 Ų103.175%0.75383%0.829SS**  trans154.2115.1153.800000115.3
49G30.1Very low30.9Very low89 Ų89102.4 Ų102.492%0.91883%0.83SS**  trans-81170.9171.300000113.6
50G27.7Very low31.2Very low78 Ų78103.5 Ų103.580%0.80483%0.832SS**  trans161.7106.7172.500000114
51T31.7Very low31.1Very low148 Ų148103.8 Ų103.891%0.90883%0.834SS**  trans-48.1140.4167.1-35.10000113.7
52A30.9Very low31.5Very low97 Ų97108.1 Ų108.180%0.80284%0.836SS**  trans-179.6142.913400000113.1
53S35.7Very low32.1Very low122 Ų122110.5 Ų110.585%0.85384%0.843SS**  trans-54.6155.6171.551.30000117
54G28.6Very low32.6Very low77 Ų77113 Ų11379%0.79484%0.84SS**  trans160.6107.4154.400000112.8
55G31Very low33.3Very low72 Ų72111.8 Ų111.874%0.74283%0.828SS**  trans-76.8165.3173.200000113
56T29.1Very low33.8Very low127 Ų127110 Ų11078%0.77981%0.813SS**  trans-177.3120.6133.7-68.80000109
57E31.2Very low34.8Very low189 Ų189115 Ų11588%0.88381%0.812SS**  trans15.5138.2144.8-55.4179121.300122.6
58G29.4Very low35.9Very low85 Ų85109.7 Ų109.788%0.87678%0.777SS**  trans121.2119.813500000116
59G27.9Very low36.8Very low75 Ų75111.8 Ų111.877%0.77377%0.771SS**  trans140.983.9156.600000116A61G59-A61 PolarHBondContact O-N 2.78Å
60S40Very low37.8Very low127 Ų127108.8 Ų108.889%0.88874%0.738SS**  trans-41.2122.5160.9460000114.3
61A35.1Very low38.6Very low96 Ų96109.3 Ų109.379%0.79373%0.73SS**  trans-134110.9154.200000107.9G59 S63G59-A61 PolarHBondContact O-N 2.78Å; A61-S63 PolarHBondContact O-N 3.04Å; A61-S63 VanDerWaalsContact O-N 3.11Å
62E40.1Very low39.2Very low199 Ų199108.6 Ų108.693%0.9371%0.714SS**  trans-58.1109.1172-69.2172.9110.700109E64E62-E64 PolarHBondContact O-N 3.43Å
63S41.2Very low40.1Very low111 Ų111110.9 Ų110.978%0.77671%0.712SS**  trans-80.6108.1163.3175.90000107.8A61A61-S63 PolarHBondContact O-N 3.04Å; A61-S63 VanDerWaalsContact O-N 3.11Å
64E42.4Very low40.7Very low182 Ų182113.1 Ų113.185%0.8571%0.709SS**  trans-38.4149.3157.9-83.9-177.399.700112.1E62 A66E62-E64 PolarHBondContact O-N 3.43Å; E64-A66 PolarHBondContact O-N 3.21Å
65G46Very low41.9Very low57 Ų57113.3 Ų113.359%0.58869%0.69SS**  trans-47.1109.9-16500000114.8K67G65-K67 PolarHBondContact O-N 3.11Å
66A42.8Very low43.2Very low72 Ų72111.8 Ų111.860%0.59566%0.664SS**  trans-55.5108.4155.900000107.4E64 I68E64-A66 PolarHBondContact O-N 3.21Å; A66-I68 PolarHBondContact O-N 3.36Å; A66-I68 VanDerWaalsContact O-N 3.12Å
67K49.8Very low45Very low186 Ų186112.2 Ų112.281%0.80966%0.658SS**  trans-58.7117.1168.7-68.2168.3-175.7167.80105.6G65 D69G65-K67 PolarHBondContact O-N 3.11Å; K67-D69 VanDerWaalsContact C-N 3.34Å; K67-D69 PolarHBondContact O-N 3.28Å
68I55.3Low46.9Very low41 Ų41103.5 Ų103.521%0.2162%0.619CS.*  trans-52.399.8166.125.7168.2000109A66 A70 D106 T108 F123 L125A66-I68 PolarHBondContact O-N 3.36Å; A66-I68 VanDerWaalsContact O-N 3.12Å; I68-A70 VanDerWaalsContact C-N 3.35Å; I68-A70 PolarHBondContact O-N 2.79Å; I68-D106 HydrophobicContact CG2-CB 4.26Å; I68-D106 WeakPolarHBondContact CG2-OD2 3.24Å; I68-T108 HydrophobicContact CD1-CG2 4.19Å; I68-F123 HydrophobicContact CD1-CB 4.27Å; I68-L125 HydrophobicContact CG2-CD2 4.38Å
69D47.8Very low49.5Very low117 Ų117100.6 Ų100.663%0.62658%0.582SS**  trans-69.793.7168.4-97.2-61.7000107.4K67 S71K67-D69 VanDerWaalsContact C-N 3.34Å; K67-D69 PolarHBondContact O-N 3.28Å; D69-S71 PolarHBondContact O-N 3.27Å
70A49.6Very low52.3Low27 Ų2797 Ų9722%0.22355%0.545CS..THydrogen-bonded Turntrans-73.243179.300000112.5I68 T158I68-A70 VanDerWaalsContact C-N 3.35Å; I68-A70 PolarHBondContact O-N 2.79Å; A70-T158 PolarHBondContact O-OG1 2.76Å
71S46Very low54.6Low89 Ų8994 Ų9462%0.62252%0.516SS*.THydrogen-bonded Turntrans-116.8-8.5-17448.80000113.8D69D69-S71 PolarHBondContact O-N 3.27Å
72K43.3Very low57.1Low133 Ų13389.5 Ų89.558%0.57848%0.479SS*.  trans-100.9111.8169.8-89.1-176.6175.2-1780111E74 E75K72-E74 PolarHBondContact O-N 2.93Å; K72-E75 HydrophobicContact CB-CG 4.38Å; K72-E75 PolarHBondContact O-N 2.8Å
73N49.3Very low59.4Low144 Ų14480.3 Ų80.377%0.7744%0.438SS*.THydrogen-bonded Turntrans-53.7-13176.6-69.1-32000114.9
74E49.1Very low61.5Low169 Ų16976.4 Ų76.479%0.7942%0.415SS*.THydrogen-bonded Turntrans-85.9-23.7174.9-71176.7145.700113.1K72 D76K72-E74 PolarHBondContact O-N 2.93Å; E74-D76 PolarHBondContact O-N 3.39Å
75E52.9Low63.7Low81 Ų8167.7 Ų67.738%0.37937%0.374SS..THydrogen-bonded Turntrans-82-3.9177.3-66.6177.4-168.700112.3K72 K79 L125K72-E75 HydrophobicContact CB-CG 4.38Å; K72-E75 PolarHBondContact O-N 2.8Å; E75-K79 WeakPolarHBondContact O-CB 3.2Å; E75-L125 HydrophobicContact CB-CD1 4.22Å; E75-L125 WeakPolarHBondContact O-CD1 3.5Å
76D59.6Low65.6Low40 Ų4066.1 Ų66.121%0.21435%0.354CS..THydrogen-bonded Turntrans-80.2-29.8179.5-78.1-37.1000113E74 K79 A155E74-D76 PolarHBondContact O-N 3.39Å; D76-K79 PolarHBondContact O-N 3.4Å; D76-A155 WeakPolarHBondContact OD1-CB 3.43Å
77E65.7Low67.6Low136 Ų13670.1 Ų70.164%0.63635%0.354SS*.THydrogen-bonded Turntrans-71.5-33.4178-72.6-177179.400112.5K79E77-K79 VanDerWaalsContact C-N 3.32Å
78G72.1Confident69.3Low7 Ų767.5 Ų67.57%0.07235%0.349CS..THydrogen-bonded Turntrans-81.5-7.8174.200000113.8F126G78-F126 PolarHBondContact O-N 3.41Å
79K84.4Confident70.7Confident23 Ų2365.8 Ų65.810%0.134%0.34CS..EExtended strand (participates in β ladder)trans-90.2131-173-163.6176.6-172.7166.30112.5E75 D76 E77 V124 L125 A153E75-K79 WeakPolarHBondContact O-CB 3.2Å; D76-K79 PolarHBondContact O-N 3.4Å; E77-K79 VanDerWaalsContact C-N 3.32Å; K79-V124 CarbonylContact C-O 3.58Å; K79-V124 WeakPolarHBondContact CA-O 3.15Å; K79-L125 HydrophobicContact CB-CD1 4.09Å; K79-A153 HydrophobicContact CB-CB 3.92Å; K79-A153 HydrophobicContact CD-CB 4.12Å; K79-A153 HydrophobicContact CG-CB 3.65Å; K79-A153 WeakPolarHBondContact O-CB 3.37Å; K79-A153 PolarHBondContact O-N 2.94Å
80M85.9Confident72.6Confident0 Ų063.4 Ų63.40%033%0.33CS..EExtended strand (participates in β ladder)trans-124.2133.2-177.4-76.7-70.8-89.100110.9I82 F123 V124 F126 V132 V135 M136 P150 K151 R152M80-I82 HydrophobicContact CB-CD1 4.04Å; M80-F123 CarbonylContact O-C 3.59Å; M80-F123 VanDerWaalsContact O-CA 3.23Å; M80-F123 WeakPolarHBondContact O-CA 3.48Å; M80-V124 PolarHBondContact N-O 3.04Å; M80-V124 PolarHBondContact O-N 2.98Å; M80-F126 HydrophobicContact CB-CE2 4.45Å; M80-F126 HydrophobicContact CG-CD2 4.22Å; M80-F126 HydrophobicContact CG-CE2 4.18Å; M80-V132 HydrophobicContact CE-CG1 3.93Å; M80-V132 HydrophobicContact CG-CB 4.14Å; M80-V132 HydrophobicContact CG-CG1 3.78Å; M80-V132 HydrophobicContact CG-CG2 3.56Å; M80-V132 HydrophobicContact SD-CB 4.28Å; M80-V132 HydrophobicContact SD-CG1 3.3Å; M80-V132 WeakPolarHBondContact SD-CG1 3.39Å; M80-V132 HydrophobicContact SD-CG2 4.28Å; M80-V135 HydrophobicContact CE-CB 4.2Å; M80-V135 HydrophobicContact CE-CG1 3.73Å; M80-M136 HydrophobicContact CE-CE 3.38Å; M80-M136 HydrophobicContact CE-CG 4.24Å; M80-M136 HydrophobicContact SD-CE 3.81Å; M80-P150 HydrophobicContact CE-CB 3.79Å; M80-K151 VanDerWaalsContact SD-O 3.37Å; M80-R152 VanDerWaalsContact SD-CA 3.56Å; M80-R152 HydrophobicContact SD-CG 4.27Å
81F88.1Confident74.3Confident65 Ų6566.3 Ų66.329%0.28534%0.337SS..EExtended strand (participates in β ladder)trans-88125.4168.5170.3-92.6000108.4F121 F123 P150 K151 A153F81-F121 HydrophobicContact CE2-CB 3.87Å; F81-F121 AromaticContact CE2-CD2 3.7Å; F81-F121 HydrophobicContact CE2-CD2 3.7Å; F81-F121 HydrophobicContact CE2-CG 4.06Å; F81-F121 HydrophobicContact CZ-CB 3.81Å; F81-F121 HydrophobicContact CZ-CD2 4.4Å; F81-F121 HydrophobicContact CZ-CG 4.3Å; F81-F123 HydrophobicContact CB-CD1 4.37Å; F81-F123 HydrophobicContact CB-CE1 4.23Å; F81-F123 HydrophobicContact CD2-CD1 4.38Å; F81-F123 AromaticContact CD2-CE1 3.79Å; F81-F123 HydrophobicContact CD2-CE1 3.79Å; F81-F123 AromaticContact CD2-CZ 3.96Å; F81-F123 HydrophobicContact CD2-CZ 3.96Å; F81-P150 CarbonylContact O-C 3.56Å; F81-P150 WeakPolarHBondContact O-CA 3.36Å; F81-K151 HydrophobicContact CD1-CB 4.15Å; F81-K151 PolarHBondContact N-O 2.93Å; F81-K151 PolarHBondContact O-N 3.08Å; F81-K151 VanDerWaalsContact O-O 3.13Å; F81-A153 HydrophobicContact CB-CB 4.4Å
82I87.7Confident76.4Confident0 Ų068.9 Ų68.90%034%0.337CS..EExtended strand (participates in β ladder)trans-110.2105.4177.6-45.4-55.9000108.3M80 L85 L94 F98 F121 G122 V124 I148 P150M80-I82 HydrophobicContact CB-CD1 4.04Å; I82-L85 HydrophobicContact CB-CD1 4.24Å; I82-L85 HydrophobicContact CG2-CD1 4.13Å; I82-L85 HydrophobicContact CG2-CD2 3.74Å; I82-L85 HydrophobicContact CG2-CG 3.94Å; I82-L94 HydrophobicContact CB-CD2 4.33Å; I82-L94 HydrophobicContact CG1-CD2 4.15Å; I82-L94 HydrophobicContact CG2-CD2 4.21Å; I82-F98 HydrophobicContact CD1-CE1 3.91Å; I82-F98 HydrophobicContact CD1-CE2 3.83Å; I82-F98 HydrophobicContact CD1-CZ 3.37Å; I82-F98 HydrophobicContact CG1-CE2 3.83Å; I82-F98 HydrophobicContact CG1-CZ 3.88Å; I82-F98 HydrophobicContact CG2-CE2 3.99Å; I82-F98 HydrophobicContact CG2-CZ 3.96Å; I82-F121 CarbonylContact O-C 3.59Å; I82-F121 WeakPolarHBondContact O-CA 3.43Å; I82-G122 PolarHBondContact N-O 3.13Å; I82-G122 PolarHBondContact O-N 3.35Å; I82-V124 HydrophobicContact CD1-CG2 4.29Å; I82-V124 HydrophobicContact CG1-CB 4.3Å; I82-V124 HydrophobicContact CG1-CG2 3.63Å; I82-I148 HydrophobicContact CG2-CB 4.16Å; I82-I148 HydrophobicContact CG2-CD1 4.08Å; I82-I148 HydrophobicContact CG2-CG1 4.47Å; I82-P150 HydrophobicContact CD1-CB 3.76Å
83G88Confident78.5Confident7 Ų764.9 Ų64.97%0.07232%0.322CS..EExtended strand (participates in β ladder)trans-91.1163174.700000112.3L85 I148 D149G83-L85 VanDerWaalsContact C-N 3.3Å; G83-L85 PolarHBondContact O-N 3.35Å; G83-I148 CarbonylContact O-C 3.55Å; G83-I148 WeakPolarHBondContact O-CA 3.49Å; G83-D149 PolarHBondContact N-O 3.42Å; G83-D149 PolarHBondContact O-N 3.09Å
84G86.3Confident80.3Confident28 Ų2858.1 Ų58.129%0.28929%0.286SS..SBendtrans77.112170.100000115.1G120 K146G84-G120 PolarHBondContact N-O 3.19Å; G84-G120 VanDerWaalsContact N-O 3.11Å; G84-K146 VanDerWaalsContact C-NZ 3.34Å; G84-K146 WeakPolarHBondContact O-CD 3.13Å; G84-K146 WeakPolarHBondContact O-CG 3.19Å; G84-K146 PolarHBondContact O-NZ 2.83Å
85L87.4Confident82.1Confident0 Ų054.9 Ų54.90%027%0.269CS..  trans-60.4151.3176.9-63.8163.5000111.6I82 G83 T89 L94 L109 G120 K146 I148I82-L85 HydrophobicContact CB-CD1 4.24Å; I82-L85 HydrophobicContact CG2-CD1 4.13Å; I82-L85 HydrophobicContact CG2-CD2 3.74Å; I82-L85 HydrophobicContact CG2-CG 3.94Å; G83-L85 VanDerWaalsContact C-N 3.3Å; G83-L85 PolarHBondContact O-N 3.35Å; L85-T89 HydrophobicContact CD2-CG2 3.98Å; L85-L94 HydrophobicContact CD1-CD1 3.83Å; L85-L94 HydrophobicContact CD1-CD2 4.24Å; L85-L94 HydrophobicContact CD1-CG 4.45Å; L85-L94 HydrophobicContact CD2-CD1 4.31Å; L85-L94 HydrophobicContact CD2-CD2 3.96Å; L85-L94 HydrophobicContact CD2-CG 4.14Å; L85-L109 HydrophobicContact CD1-CD2 3.69Å; L85-G120 PolarHBondContact N-O 3.48Å; L85-G120 WeakPolarHBondContact O-CA 3.28Å; L85-K146 PolarHBondContact O-NZ 2.99Å; L85-I148 HydrophobicContact CD2-CG2 3.73Å; L85-I148 HydrophobicContact CG-CG2 4.44Å
86S87Confident83.9Confident23 Ų2355.2 Ų55.216%0.16127%0.274CS..  trans-71.6152.3170.7-169.90000110.2D88 T89S86-D88 PolarHBondContact O-N 3.06Å; S86-T89 WeakPolarHBondContact CA-OG1 3.47Å; S86-T89 WeakPolarHBondContact CB-OG1 3.44Å; S86-T89 PolarHBondContact N-OG1 3.49Å; S86-T89 VanDerWaalsContact O-CB 3.23Å; S86-T89 WeakPolarHBondContact O-CB 3.49Å; S86-T89 PolarHBondContact O-N 3.37Å; S86-T89 PolarHBondContact O-OG1 3.27Å
87W85.3Confident85.2Confident157 Ų15755.1 Ų55.160%0.59527%0.271SS*.THydrogen-bonded Turntrans-62.6-28178.9-60.2-34.1000112.7T89 R117 S118W87-T89 VanDerWaalsContact C-N 3.29Å; W87-R117 HydrophobicContact CB-CG 4.39Å; W87-R117 HydrophobicContact CG-CG 4.45Å; W87-S118 VanDerWaalsContact O-CB 3.29Å; W87-S118 WeakPolarHBondContact O-CB 3.3Å
88D84.4Confident86.2Confident131 Ų13148.7 Ų48.770%0.70124%0.241SC*.THydrogen-bonded Turntrans-88.43.6178.6-50.1-49.9000112.7S86 T90S86-D88 PolarHBondContact O-N 3.06Å; D88-T90 PolarHBondContact O-N 2.95Å
89T84.4Confident86.9Confident5 Ų551.7 Ų51.73%0.03126%0.26CS..  trans-72.2125.5178.9-510000110.5L85 S86 W87 D93 L94 L109 L143L85-T89 HydrophobicContact CD2-CG2 3.98Å; S86-T89 WeakPolarHBondContact CA-OG1 3.47Å; S86-T89 WeakPolarHBondContact CB-OG1 3.44Å; S86-T89 PolarHBondContact N-OG1 3.49Å; S86-T89 VanDerWaalsContact O-CB 3.23Å; S86-T89 WeakPolarHBondContact O-CB 3.49Å; S86-T89 PolarHBondContact O-N 3.37Å; S86-T89 PolarHBondContact O-OG1 3.27Å; W87-T89 VanDerWaalsContact C-N 3.29Å; T89-D93 HydrophobicContact CG2-CB 4.31Å; T89-L94 HydrophobicContact CG2-CD1 4.04Å; T89-L94 HydrophobicContact CG2-CG 4.09Å; T89-L109 VanDerWaalsContact O-CD1 3.28Å; T89-L109 WeakPolarHBondContact O-CD1 3.39Å; T89-L143 HydrophobicContact CG2-CD2 3.42Å; T89-L143 VanDerWaalsContact CG2-CD2 3.42Å
90T87.3Confident87.1Confident67 Ų6758.2 Ų58.241%0.41129%0.289SS..  trans-99166.2177.969.30000112.5D88 K92 D93 L94 L109D88-T90 PolarHBondContact O-N 2.95Å; T90-K92 PolarHBondContact O-N 3.16Å; T90-D93 PolarHBondContact N-OD2 3.02Å; T90-D93 PolarHBondContact O-N 3.3Å; T90-D93 PolarHBondContact OG1-N 2.59Å; T90-D93 PolarHBondContact OG1-OD2 2.83Å; T90-L94 PolarHBondContact O-N 3.16Å; T90-L109 VanDerWaalsContact C-CD1 3.42Å
91K87.1Confident87Confident87 Ų8759.5 Ų59.538%0.37830%0.295SS..Hα-helixtrans-57.8-35.9175-177.6176.1172.2152.20110.8L94 K95 D106 C107 L109K91-L94 WeakPolarHBondContact O-CB 3.21Å; K91-K95 WeakPolarHBondContact O-CB 3.46Å; K91-K95 PolarHBondContact O-N 3.15Å; K91-D106 IonicContact NZ-OD1 2.7Å; K91-D106 PolarHBondContact NZ-OD1 2.76Å; K91-C107 WeakPolarHBondContact CD-O 3.26Å; K91-C107 WeakPolarHBondContact CE-O 3.27Å; K91-C107 WeakPolarHBondContact CE-SG 3.36Å; K91-C107 HydrophobicContact CG-CB 4.19Å; K91-C107 WeakPolarHBondContact CG-SG 3.46Å; K91-C107 PolarHBondContact NZ-O 3.43Å; K91-L109 HydrophobicContact CB-CD1 4.46Å; K91-L109 VanDerWaalsContact N-CD1 3.33Å
92K88.6Confident86.9Confident143 Ų14357.3 Ų57.362%0.62229%0.29SS*.Hα-helixtrans-65-49.6178.6-173.4178.7176.7-177.10111.6T90 L94 K95 D96T90-K92 PolarHBondContact O-N 3.16Å; K92-L94 VanDerWaalsContact C-N 3.27Å; K92-L94 PolarHBondContact O-N 3.02Å; K92-K95 PolarHBondContact O-N 3.27Å; K92-K95 VanDerWaalsContact O-N 3.07Å; K92-D96 WeakPolarHBondContact CG-OD2 3.38Å; K92-D96 WeakPolarHBondContact O-CB 3.3Å; K92-D96 VanDerWaalsContact O-CG 3.25Å; K92-D96 PolarHBondContact O-N 3.31Å
93D88.1Confident86.9Confident50 Ų5062.7 Ų62.727%0.26732%0.315SS..Hα-helixtrans-60.2-40.4179.7-52-42.1000111.9T89 T90 Y97 L143T89-D93 HydrophobicContact CG2-CB 4.31Å; T90-D93 PolarHBondContact N-OD2 3.02Å; T90-D93 PolarHBondContact O-N 3.3Å; T90-D93 PolarHBondContact OG1-N 2.59Å; T90-D93 PolarHBondContact OG1-OD2 2.83Å; D93-Y97 VanDerWaalsContact O-CB 3.26Å; D93-Y97 WeakPolarHBondContact O-CB 3.35Å; D93-Y97 PolarHBondContact O-N 2.83Å; D93-L143 HydrophobicContact CB-CD2 4.37Å
94L87.1Confident86.9Confident2 Ų262.9 Ų62.91%0.0132%0.315CS..Hα-helixtrans-59.5-51.8172.7-96.1151.8000111.4I82 L85 T89 T90 K91 K92 D96 Y97 F98 L109 V124I82-L94 HydrophobicContact CB-CD2 4.33Å; I82-L94 HydrophobicContact CG1-CD2 4.15Å; I82-L94 HydrophobicContact CG2-CD2 4.21Å; L85-L94 HydrophobicContact CD1-CD1 3.83Å; L85-L94 HydrophobicContact CD1-CD2 4.24Å; L85-L94 HydrophobicContact CD1-CG 4.45Å; L85-L94 HydrophobicContact CD2-CD1 4.31Å; L85-L94 HydrophobicContact CD2-CD2 3.96Å; L85-L94 HydrophobicContact CD2-CG 4.14Å; T89-L94 HydrophobicContact CG2-CD1 4.04Å; T89-L94 HydrophobicContact CG2-CG 4.09Å; T90-L94 PolarHBondContact O-N 3.16Å; K91-L94 WeakPolarHBondContact O-CB 3.21Å; K92-L94 VanDerWaalsContact C-N 3.27Å; K92-L94 PolarHBondContact O-N 3.02Å; L94-D96 PolarHBondContact O-N 3.38Å; L94-Y97 PolarHBondContact O-N 3.07Å; L94-F98 HydrophobicContact CD2-CD2 3.74Å; L94-F98 HydrophobicContact CD2-CE2 3.5Å; L94-F98 VanDerWaalsContact CD2-CE2 3.5Å; L94-F98 WeakPolarHBondContact O-CB 3.4Å; L94-F98 VanDerWaalsContact O-CD2 3.24Å; L94-F98 WeakPolarHBondContact O-CD2 3.48Å; L94-F98 PolarHBondContact O-N 2.84Å; L94-L109 HydrophobicContact CD1-CD1 3.95Å; L94-L109 HydrophobicContact CD1-CD2 3.2Å; L94-L109 HydrophobicContact CD1-CG 3.6Å; L94-V124 HydrophobicContact CD2-CG2 3.89Å
95K87.9Confident87Confident100 Ų10065.5 Ų65.544%0.43533%0.325SS..Hα-helixtrans-59.7-48.7179.9-168.2175.6-178.9176.50111K91 K92 Y97 F98 S99 V104K91-K95 WeakPolarHBondContact O-CB 3.46Å; K91-K95 PolarHBondContact O-N 3.15Å; K92-K95 PolarHBondContact O-N 3.27Å; K92-K95 VanDerWaalsContact O-N 3.07Å; K95-Y97 VanDerWaalsContact C-N 3.32Å; K95-Y97 PolarHBondContact O-N 3.26Å; K95-F98 PolarHBondContact O-N 2.76Å; K95-S99 WeakPolarHBondContact O-CB 3.44Å; K95-S99 PolarHBondContact O-N 3.12Å; K95-V104 HydrophobicContact CG-CB 4.28Å; K95-V104 HydrophobicContact CG-CG1 4.37Å
96D89.1Confident86.8Confident88 Ų8866.6 Ų66.647%0.47133%0.331SS..Hα-helixtrans-63.8-37.7-178.1-66.8-13.3000111.7K92 L94K92-D96 WeakPolarHBondContact CG-OD2 3.38Å; K92-D96 WeakPolarHBondContact O-CB 3.3Å; K92-D96 VanDerWaalsContact O-CG 3.25Å; K92-D96 PolarHBondContact O-N 3.31Å; L94-D96 PolarHBondContact O-N 3.38Å
97Y87.7Confident86.7Confident39 Ų3965.6 Ų65.615%0.15332%0.324CS..Hα-helixtrans-70.5-49.1176.1-176.1-94.6000112.3D93 L94 K95 S99 K100 F101 H141 K142 L143 I148D93-Y97 VanDerWaalsContact O-CB 3.26Å; D93-Y97 WeakPolarHBondContact O-CB 3.35Å; D93-Y97 PolarHBondContact O-N 2.83Å; L94-Y97 PolarHBondContact O-N 3.07Å; K95-Y97 VanDerWaalsContact C-N 3.32Å; K95-Y97 PolarHBondContact O-N 3.26Å; Y97-S99 VanDerWaalsContact C-N 3.32Å; Y97-S99 PolarHBondContact O-N 2.96Å; Y97-K100 WeakPolarHBondContact O-CB 3.49Å; Y97-K100 WeakPolarHBondContact O-CG 3.44Å; Y97-K100 PolarHBondContact O-N 3.36Å; Y97-F101 HydrophobicContact CD1-CE2 4.33Å; Y97-F101 AromaticContact CE1-CE2 3.9Å; Y97-F101 HydrophobicContact CE1-CE2 3.9Å; Y97-H141 HydrophobicContact CE1-CB 4.18Å; Y97-H141 AromaticContact CE1-ND1 3.86Å; Y97-H141 AromaticContact CZ-ND1 3.97Å; Y97-H141 WeakPolarHBondContact OH-CA 3.28Å; Y97-H141 VanDerWaalsContact OH-CB 3.28Å; Y97-H141 WeakPolarHBondContact OH-CB 2.86Å; Y97-H141 PolarHBondContact OH-ND1 2.88Å; Y97-K142 WeakPolarHBondContact CE2-O 3.38Å; Y97-K142 PolarHBondContact OH-N 3.31Å; Y97-L143 HydrophobicContact CD1-CD1 4.09Å; Y97-L143 HydrophobicContact CD2-CD1 4.25Å; Y97-L143 HydrophobicContact CG-CD1 3.71Å; Y97-I148 HydrophobicContact CD1-CD1 4.22Å; Y97-I148 HydrophobicContact CE1-CD1 3.86Å
98F86.6Confident86.7Confident0 Ų059.5 Ų59.50%030%0.304CS..Hα-helixtrans-75-22.1-176.9-78.1-68.5000113.1I82 L94 K95 K100 F101 G102 V104 V124 F126 V135 I148I82-F98 HydrophobicContact CD1-CE1 3.91Å; I82-F98 HydrophobicContact CD1-CE2 3.83Å; I82-F98 HydrophobicContact CD1-CZ 3.37Å; I82-F98 HydrophobicContact CG1-CE2 3.83Å; I82-F98 HydrophobicContact CG1-CZ 3.88Å; I82-F98 HydrophobicContact CG2-CE2 3.99Å; I82-F98 HydrophobicContact CG2-CZ 3.96Å; L94-F98 HydrophobicContact CD2-CD2 3.74Å; L94-F98 HydrophobicContact CD2-CE2 3.5Å; L94-F98 VanDerWaalsContact CD2-CE2 3.5Å; L94-F98 WeakPolarHBondContact O-CB 3.4Å; L94-F98 VanDerWaalsContact O-CD2 3.24Å; L94-F98 WeakPolarHBondContact O-CD2 3.48Å; L94-F98 PolarHBondContact O-N 2.84Å; K95-F98 PolarHBondContact O-N 2.76Å; F98-K100 PolarHBondContact O-N 3.32Å; F98-F101 HydrophobicContact CD1-CD2 4.37Å; F98-F101 PolarHBondContact O-N 2.82Å; F98-G102 PolarHBondContact O-N 3.31Å; F98-V104 HydrophobicContact CB-CG2 3.72Å; F98-V124 HydrophobicContact CB-CG1 4.34Å; F98-V124 HydrophobicContact CD2-CG2 3.99Å; F98-V124 HydrophobicContact CE2-CG2 4.35Å; F98-V124 HydrophobicContact CG-CG1 4.46Å; F98-F126 HydrophobicContact CB-CE1 4.15Å; F98-F126 HydrophobicContact CB-CZ 3.76Å; F98-F126 HydrophobicContact CD1-CE2 4.36Å; F98-F126 AromaticContact CD1-CZ 3.75Å; F98-F126 HydrophobicContact CD1-CZ 3.75Å; F98-F126 HydrophobicContact CG-CZ 4.08Å; F98-V135 HydrophobicContact CD1-CG2 3.95Å; F98-V135 HydrophobicContact CE1-CG1 3.85Å; F98-V135 HydrophobicContact CE1-CG2 4.09Å; F98-I148 HydrophobicContact CE2-CD1 4Å; F98-I148 HydrophobicContact CZ-CD1 3.63Å
99S87.8Confident86.9Confident70 Ų7054.8 Ų54.849%0.4928%0.279SS..THydrogen-bonded Turntrans-61-15.5172.8-1670000113.6K95 Y97 F101 G102K95-S99 WeakPolarHBondContact O-CB 3.44Å; K95-S99 PolarHBondContact O-N 3.12Å; Y97-S99 VanDerWaalsContact C-N 3.32Å; Y97-S99 PolarHBondContact O-N 2.96Å; S99-F101 VanDerWaalsContact C-N 3.31Å; S99-G102 VanDerWaalsContact CA-O 3.3Å; S99-G102 WeakPolarHBondContact CA-O 3.49Å
100K87.4Confident86.9Confident161 Ų16158.7 Ų58.770%0.730%0.295SS*.THydrogen-bonded Turntrans-73.5-23.3174-61.9178.2-177.4178.90113.4Y97 F98Y97-K100 WeakPolarHBondContact O-CB 3.49Å; Y97-K100 WeakPolarHBondContact O-CG 3.44Å; Y97-K100 PolarHBondContact O-N 3.36Å; F98-K100 PolarHBondContact O-N 3.32Å
101F84.9Confident86.9Confident27 Ų2759.9 Ų59.912%0.11830%0.299CS..THydrogen-bonded Turntrans-100.1-26-176.7-60.1-81.8000112Y97 F98 S99 K134 V135 Q138 H141Y97-F101 HydrophobicContact CD1-CE2 4.33Å; Y97-F101 AromaticContact CE1-CE2 3.9Å; Y97-F101 HydrophobicContact CE1-CE2 3.9Å; F98-F101 HydrophobicContact CD1-CD2 4.37Å; F98-F101 PolarHBondContact O-N 2.82Å; S99-F101 VanDerWaalsContact C-N 3.31Å; F101-K134 HydrophobicContact CD1-CB 4.45Å; F101-V135 HydrophobicContact CB-CG2 3.56Å; F101-V135 HydrophobicContact CD1-CG2 4.09Å; F101-V135 HydrophobicContact CD2-CG2 3.99Å; F101-V135 HydrophobicContact CG-CG2 3.59Å; F101-Q138 HydrophobicContact CE1-CG 3.97Å; F101-Q138 VanDerWaalsContact CE1-NE2 3.29Å; F101-Q138 VanDerWaalsContact CZ-CD 3.49Å; F101-H141 AromaticContact CZ-CE1 3.93Å; F101-H141 AromaticContact CZ-ND1 3.97Å
102G85.5Confident86.7Confident18 Ų1858.3 Ų58.319%0.18629%0.294CS..SBendtrans172.6-179.9171.500000113F98 S99 V104 S131F98-G102 PolarHBondContact O-N 3.31Å; S99-G102 VanDerWaalsContact CA-O 3.3Å; S99-G102 WeakPolarHBondContact CA-O 3.49Å; G102-V104 PolarHBondContact O-N 2.82Å; G102-S131 WeakPolarHBondContact CA-OG 3.5Å
103E87.3Confident86.2Confident114 Ų11457.4 Ų57.453%0.53330%0.303SS..  trans-70.9115.2-177.2-166.5-178.6152.700110.7F126 K127E103-F126 WeakPolarHBondContact O-CA 3.35Å; E103-K127 HydrophobicContact CB-CB 4.18Å; E103-K127 HydrophobicContact CB-CD 4.3Å; E103-K127 VanDerWaalsContact CD-NZ 3.27Å; E103-K127 HydrophobicContact CG-CD 4.21Å; E103-K127 PolarHBondContact O-N 3.07Å; E103-K127 WeakPolarHBondContact OE1-CD 3.35Å; E103-K127 IonicContact OE1-NZ 3.04Å; E103-K127 PolarHBondContact OE1-NZ 2.83Å; E103-K127 WeakPolarHBondContact OE2-CD 3.25Å; E103-K127 IonicContact OE2-NZ 2.78Å; E103-K127 PolarHBondContact OE2-NZ 3.23Å
104V88.7Confident85.7Confident10 Ų1062.4 Ų62.46%0.06133%0.328CS..EExtended strand (participates in β ladder)trans-86.3113.5176.9178.10000109.5K95 F98 G102 D106 C107 V124 L125 F126K95-V104 HydrophobicContact CG-CB 4.28Å; K95-V104 HydrophobicContact CG-CG1 4.37Å; F98-V104 HydrophobicContact CB-CG2 3.72Å; G102-V104 PolarHBondContact O-N 2.82Å; V104-D106 WeakPolarHBondContact CG1-O 3.38Å; V104-C107 HydrophobicContact CG1-CB 4.37Å; V104-V124 HydrophobicContact CB-CG1 4.48Å; V104-V124 HydrophobicContact CG1-CG1 3.7Å; V104-V124 HydrophobicContact CG2-CG1 3.99Å; V104-L125 CarbonylContact C-O 3.57Å; V104-F126 HydrophobicContact CG2-CD1 4.01Å; V104-F126 HydrophobicContact CG2-CE1 3.64Å; V104-F126 HydrophobicContact CG2-CZ 4.3Å
105V87Confident85.5Confident83 Ų8366.7 Ų66.750%0.50336%0.355SS..EExtended strand (participates in β ladder)trans-73.5-50.5177.2177.80000110.3L125 K127V105-L125 HydrophobicContact CB-CD2 4.23Å; V105-L125 HydrophobicContact CB-CG 4.22Å; V105-L125 HydrophobicContact CG1-CD2 4.12Å; V105-L125 PolarHBondContact N-O 2.76Å; V105-K127 VanDerWaalsContact CG2-CA 3.49Å; V105-K127 HydrophobicContact CG2-CB 3.58Å; V105-K127 HydrophobicContact CG2-CG 4.2Å
106D83.6Confident85.1Confident23 Ų2364.3 Ų64.312%0.12336%0.359CS..EExtended strand (participates in β ladder)trans-144.3156.1176.3-172.640.7000112.2I68 K91 V104 T108 V124 L125I68-D106 HydrophobicContact CG2-CB 4.26Å; I68-D106 WeakPolarHBondContact CG2-OD2 3.24Å; K91-D106 IonicContact NZ-OD1 2.7Å; K91-D106 PolarHBondContact NZ-OD1 2.76Å; V104-D106 WeakPolarHBondContact CG1-O 3.38Å; D106-T108 PolarHBondContact OD2-OG1 2.92Å; D106-V124 CarbonylContact O-C 3.59Å; D106-L125 HydrophobicContact CB-CB 4.33Å; D106-L125 PolarHBondContact N-O 2.97Å; D106-L125 PolarHBondContact O-N 3.21Å
107C85.6Confident84.7Confident2 Ų267.2 Ų67.21%0.01436%0.363CS..EExtended strand (participates in β ladder)trans-139.9132.2170.339.70000110K91 V104 F123 V124K91-C107 WeakPolarHBondContact CD-O 3.26Å; K91-C107 WeakPolarHBondContact CE-O 3.27Å; K91-C107 WeakPolarHBondContact CE-SG 3.36Å; K91-C107 HydrophobicContact CG-CB 4.19Å; K91-C107 WeakPolarHBondContact CG-SG 3.46Å; K91-C107 PolarHBondContact NZ-O 3.43Å; V104-C107 HydrophobicContact CG1-CB 4.37Å; C107-F123 CarbonylContact C-O 3.53Å; C107-F123 WeakPolarHBondContact CA-O 3.41Å; C107-V124 HydrophobicContact CB-CG2 4.21Å
108T85.6Confident84.5Confident30 Ų3065.7 Ų65.718%0.18436%0.358CS..EExtended strand (participates in β ladder)trans-127117.6-177.9-72.80000109.4I68 D106 K110 G122 F123I68-T108 HydrophobicContact CD1-CG2 4.19Å; D106-T108 PolarHBondContact OD2-OG1 2.92Å; T108-K110 HydrophobicContact CG2-CD 4.49Å; T108-G122 CarbonylContact O-C 3.51Å; T108-G122 VanDerWaalsContact O-CA 3.23Å; T108-G122 WeakPolarHBondContact O-CA 3.12Å; T108-F123 PolarHBondContact N-O 3.34Å; T108-F123 PolarHBondContact O-N 3.39Å
109L88.3Confident84.4Confident31 Ų3172.9 Ų72.916%0.16239%0.385CS..EExtended strand (participates in β ladder)trans-88.9136.1171.2-79.4173.3000110.5L85 T89 T90 K91 L94 L111L85-L109 HydrophobicContact CD1-CD2 3.69Å; T89-L109 VanDerWaalsContact O-CD1 3.28Å; T89-L109 WeakPolarHBondContact O-CD1 3.39Å; T90-L109 VanDerWaalsContact C-CD1 3.42Å; K91-L109 HydrophobicContact CB-CD1 4.46Å; K91-L109 VanDerWaalsContact N-CD1 3.33Å; L94-L109 HydrophobicContact CD1-CD1 3.95Å; L94-L109 HydrophobicContact CD1-CD2 3.2Å; L94-L109 HydrophobicContact CD1-CG 3.6Å; L109-L111 HydrophobicContact CB-CD2 4.32Å; L109-L111 PolarHBondContact O-N 3.38Å
110K84.9Confident84.2Confident88 Ų8870 Ų7038%0.38337%0.366SS..EExtended strand (participates in β ladder)trans-90.6104.6170.9-66.1-56.4-173.3-174.40108.8T108 R119 F121 F123T108-K110 HydrophobicContact CG2-CD 4.49Å; K110-R119 VanDerWaalsContact O-CB 3.22Å; K110-R119 WeakPolarHBondContact O-CB 3.4Å; K110-R119 WeakPolarHBondContact O-CG 3.16Å; K110-R119 PolarHBondContact O-N 3.49Å; K110-F121 HydrophobicContact CB-CD2 4.05Å; K110-F121 HydrophobicContact CB-CE2 3.55Å; K110-F121 HydrophobicContact CB-CZ 3.8Å; K110-F121 HydrophobicContact CG-CD2 4.13Å; K110-F121 HydrophobicContact CG-CE2 3.55Å; K110-F121 HydrophobicContact CG-CZ 4.2Å; K110-F121 PolarHBondContact N-O 3.34Å; K110-F123 HydrophobicContact CG-CD2 4.46Å; K110-F123 HydrophobicContact CG-CE2 4.18Å
111L86.4Confident84.2Confident92 Ų9264.5 Ų64.548%0.48234%0.343SS..EExtended strand (participates in β ladder)trans-91.8152.7172-49.9174.3000109.2L109 R117L109-L111 HydrophobicContact CB-CD2 4.32Å; L109-L111 PolarHBondContact O-N 3.38Å; L111-R117 CarbonylContact C-O 3.51Å; L111-R117 WeakPolarHBondContact CA-O 3.45Å
112D82.6Confident84.4Confident53 Ų5363.2 Ų63.228%0.28334%0.337SS..  trans-68.9123.3169.8177.50.7000108.9I114 T115 G116 R117 R119D112-I114 PolarHBondContact O-N 2.64Å; D112-I114 PolarHBondContact OD1-N 2.74Å; D112-I114 VanDerWaalsContact OD1-N 3.07Å; D112-T115 WeakPolarHBondContact CB-OG1 3.44Å; D112-T115 VanDerWaalsContact CG-OG1 3.27Å; D112-T115 WeakPolarHBondContact OD2-CG2 3.3Å; D112-T115 PolarHBondContact OD2-OG1 3.48Å; D112-G116 VanDerWaalsContact O-CA 3.23Å; D112-G116 WeakPolarHBondContact O-CA 3.26Å; D112-G116 PolarHBondContact O-N 3Å; D112-R117 WeakPolarHBondContact CB-O 3.45Å; D112-R117 PolarHBondContact N-O 2.97Å; D112-R119 HydrophobicContact CB-CG 4.36Å
113P77.9Confident84.6Confident125 Ų12564.2 Ų64.281%0.81234%0.336SS*.THydrogen-bonded Turntrans-64.6-20.2-177.826.2-35.7000113.9
114I78.8Confident84.7Confident154 Ų15458.8 Ų58.879%0.7931%0.311SS*.THydrogen-bonded Turntrans-91.7-47.8-177.4-56.4175.8000110.7D112D112-I114 PolarHBondContact O-N 2.64Å; D112-I114 PolarHBondContact OD1-N 2.74Å; D112-I114 VanDerWaalsContact OD1-N 3.07Å
115T82.7Confident84.6Confident93 Ų9359 Ų5957%0.57131%0.311SS*.THydrogen-bonded Turntrans-96.9-10.8-17464.70000113.7D112 R117D112-T115 WeakPolarHBondContact CB-OG1 3.44Å; D112-T115 VanDerWaalsContact CG-OG1 3.27Å; D112-T115 WeakPolarHBondContact OD2-CG2 3.3Å; D112-T115 PolarHBondContact OD2-OG1 3.48Å; T115-R117 PolarHBondContact O-N 3.31Å; T115-R117 WeakPolarHBondContact OG1-CB 3.48Å; T115-R117 PolarHBondContact OG1-N 2.91Å
116G79.3Confident84.7Confident50 Ų5055.3 Ų55.352%0.51529%0.289SS..  trans66.5-1.6-172.500000114D112D112-G116 VanDerWaalsContact O-CA 3.23Å; D112-G116 WeakPolarHBondContact O-CA 3.26Å; D112-G116 PolarHBondContact O-N 3Å
117R79.7Confident84.9Confident148 Ų14859.9 Ų59.956%0.55831%0.308SS*.  trans-73140.5-177.4-173.9176.7-75.8-171.8-3110.3W87 L111 D112 T115 R119W87-R117 HydrophobicContact CB-CG 4.39Å; W87-R117 HydrophobicContact CG-CG 4.45Å; L111-R117 CarbonylContact C-O 3.51Å; L111-R117 WeakPolarHBondContact CA-O 3.45Å; D112-R117 WeakPolarHBondContact CB-O 3.45Å; D112-R117 PolarHBondContact N-O 2.97Å; T115-R117 PolarHBondContact O-N 3.31Å; T115-R117 WeakPolarHBondContact OG1-CB 3.48Å; T115-R117 PolarHBondContact OG1-N 2.91Å; R117-R119 PolarHBondContact O-N 2.83Å
118S85.1Confident84.8Confident7 Ų765 Ų655%0.04933%0.331CS..EExtended strand (participates in β ladder)trans-61.4131.9174.2179.50000111.2W87 G120W87-S118 VanDerWaalsContact O-CB 3.29Å; W87-S118 WeakPolarHBondContact O-CB 3.3Å; S118-G120 PolarHBondContact O-N 3.05Å; S118-G120 VanDerWaalsContact O-N 3.14Å; S118-G120 PolarHBondContact OG-N 3.42Å
119R82.8Confident84.7Confident152 Ų15265.8 Ų65.857%0.57434%0.338SS*.EExtended strand (participates in β ladder)trans-74.13.1175.8-60177.262.4-176.6-2.9112.3K110 D112 R117 F121K110-R119 VanDerWaalsContact O-CB 3.22Å; K110-R119 WeakPolarHBondContact O-CB 3.4Å; K110-R119 WeakPolarHBondContact O-CG 3.16Å; K110-R119 PolarHBondContact O-N 3.49Å; D112-R119 HydrophobicContact CB-CG 4.36Å; R117-R119 PolarHBondContact O-N 2.83Å; R119-F121 VanDerWaalsContact C-N 3.29Å; R119-F121 HydrophobicContact CB-CD1 3.72Å; R119-F121 HydrophobicContact CB-CE1 3.38Å; R119-F121 HydrophobicContact CB-CZ 4.2Å; R119-F121 HydrophobicContact CG-CE1 4.32Å; R119-F121 WeakPolarHBondContact O-CD1 3.3Å; R119-F121 PolarHBondContact O-N 3.19Å
120G84.5Confident84.6Confident9 Ų969.7 Ų69.79%0.09336%0.355CS..EExtended strand (participates in β ladder)trans74.918.7179.100000113.5G84 L85 S118G84-G120 PolarHBondContact N-O 3.19Å; G84-G120 VanDerWaalsContact N-O 3.11Å; L85-G120 PolarHBondContact N-O 3.48Å; L85-G120 WeakPolarHBondContact O-CA 3.28Å; S118-G120 PolarHBondContact O-N 3.05Å; S118-G120 VanDerWaalsContact O-N 3.14Å; S118-G120 PolarHBondContact OG-N 3.42Å
121F87.8Confident84.7Confident46 Ų4665.6 Ų65.620%0.20234%0.338CS..EExtended strand (participates in β ladder)trans-147.5155.9173.169-90.4000111.9F81 I82 K110 R119F81-F121 HydrophobicContact CE2-CB 3.87Å; F81-F121 AromaticContact CE2-CD2 3.7Å; F81-F121 HydrophobicContact CE2-CD2 3.7Å; F81-F121 HydrophobicContact CE2-CG 4.06Å; F81-F121 HydrophobicContact CZ-CB 3.81Å; F81-F121 HydrophobicContact CZ-CD2 4.4Å; F81-F121 HydrophobicContact CZ-CG 4.3Å; I82-F121 CarbonylContact O-C 3.59Å; I82-F121 WeakPolarHBondContact O-CA 3.43Å; K110-F121 HydrophobicContact CB-CD2 4.05Å; K110-F121 HydrophobicContact CB-CE2 3.55Å; K110-F121 HydrophobicContact CB-CZ 3.8Å; K110-F121 HydrophobicContact CG-CD2 4.13Å; K110-F121 HydrophobicContact CG-CE2 3.55Å; K110-F121 HydrophobicContact CG-CZ 4.2Å; K110-F121 PolarHBondContact N-O 3.34Å; R119-F121 VanDerWaalsContact C-N 3.29Å; R119-F121 HydrophobicContact CB-CD1 3.72Å; R119-F121 HydrophobicContact CB-CE1 3.38Å; R119-F121 HydrophobicContact CB-CZ 4.2Å; R119-F121 HydrophobicContact CG-CE1 4.32Å; R119-F121 WeakPolarHBondContact O-CD1 3.3Å; R119-F121 PolarHBondContact O-N 3.19Å
122G89.4Confident84.5Confident0 Ų061.3 Ų61.30%032%0.315CS..EExtended strand (participates in β ladder)trans-154.4-179.1-179.900000112.3I82 T108I82-G122 PolarHBondContact N-O 3.13Å; I82-G122 PolarHBondContact O-N 3.35Å; T108-G122 CarbonylContact O-C 3.51Å; T108-G122 VanDerWaalsContact O-CA 3.23Å; T108-G122 WeakPolarHBondContact O-CA 3.12Å
123F89.7Confident84.7Confident38 Ų3861.7 Ų61.717%0.16732%0.318CS..EExtended strand (participates in β ladder)trans-124.4141.6174.6-62.2-87.1000109.1I68 M80 F81 C107 T108 K110 A153I68-F123 HydrophobicContact CD1-CB 4.27Å; M80-F123 CarbonylContact O-C 3.59Å; M80-F123 VanDerWaalsContact O-CA 3.23Å; M80-F123 WeakPolarHBondContact O-CA 3.48Å; F81-F123 HydrophobicContact CB-CD1 4.37Å; F81-F123 HydrophobicContact CB-CE1 4.23Å; F81-F123 HydrophobicContact CD2-CD1 4.38Å; F81-F123 AromaticContact CD2-CE1 3.79Å; F81-F123 HydrophobicContact CD2-CE1 3.79Å; F81-F123 AromaticContact CD2-CZ 3.96Å; F81-F123 HydrophobicContact CD2-CZ 3.96Å; C107-F123 CarbonylContact C-O 3.53Å; C107-F123 WeakPolarHBondContact CA-O 3.41Å; T108-F123 PolarHBondContact N-O 3.34Å; T108-F123 PolarHBondContact O-N 3.39Å; K110-F123 HydrophobicContact CG-CD2 4.46Å; K110-F123 HydrophobicContact CG-CE2 4.18Å; F123-A153 HydrophobicContact CD1-CB 4.35Å
124V88.3Confident85.1Confident1 Ų160.4 Ų60.41%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-125.4135.4174.3177.70000107K79 M80 I82 L94 F98 V104 D106 C107 F126K79-V124 CarbonylContact C-O 3.58Å; K79-V124 WeakPolarHBondContact CA-O 3.15Å; M80-V124 PolarHBondContact N-O 3.04Å; M80-V124 PolarHBondContact O-N 2.98Å; I82-V124 HydrophobicContact CD1-CG2 4.29Å; I82-V124 HydrophobicContact CG1-CB 4.3Å; I82-V124 HydrophobicContact CG1-CG2 3.63Å; L94-V124 HydrophobicContact CD2-CG2 3.89Å; F98-V124 HydrophobicContact CB-CG1 4.34Å; F98-V124 HydrophobicContact CD2-CG2 3.99Å; F98-V124 HydrophobicContact CE2-CG2 4.35Å; F98-V124 HydrophobicContact CG-CG1 4.46Å; V104-V124 HydrophobicContact CB-CG1 4.48Å; V104-V124 HydrophobicContact CG1-CG1 3.7Å; V104-V124 HydrophobicContact CG2-CG1 3.99Å; D106-V124 CarbonylContact O-C 3.59Å; C107-V124 HydrophobicContact CB-CG2 4.21Å; V124-F126 HydrophobicContact CG1-CD2 4.24Å; V124-F126 HydrophobicContact CG1-CE2 3.9Å; V124-F126 HydrophobicContact CG1-CZ 4.12Å
125L87.5Confident85.4Confident13 Ų1353 Ų537%0.06826%0.262CS..EExtended strand (participates in β ladder)trans-112116.9175.1-179.765.5000107.8I68 E75 K79 V104 V105 D106I68-L125 HydrophobicContact CG2-CD2 4.38Å; E75-L125 HydrophobicContact CB-CD1 4.22Å; E75-L125 WeakPolarHBondContact O-CD1 3.5Å; K79-L125 HydrophobicContact CB-CD1 4.09Å; V104-L125 CarbonylContact C-O 3.57Å; V105-L125 HydrophobicContact CB-CD2 4.23Å; V105-L125 HydrophobicContact CB-CG 4.22Å; V105-L125 HydrophobicContact CG1-CD2 4.12Å; V105-L125 PolarHBondContact N-O 2.76Å; D106-L125 HydrophobicContact CB-CB 4.33Å; D106-L125 PolarHBondContact N-O 2.97Å; D106-L125 PolarHBondContact O-N 3.21Å
126F88.5Confident85.5Confident6 Ų651.8 Ų51.83%0.02625%0.25CC..EExtended strand (participates in β ladder)trans-88.7152.9171.5-72.1-79.4000110.9G78 M80 F98 E103 V104 V124 E128 S131 V132 V135G78-F126 PolarHBondContact O-N 3.41Å; M80-F126 HydrophobicContact CB-CE2 4.45Å; M80-F126 HydrophobicContact CG-CD2 4.22Å; M80-F126 HydrophobicContact CG-CE2 4.18Å; F98-F126 HydrophobicContact CB-CE1 4.15Å; F98-F126 HydrophobicContact CB-CZ 3.76Å; F98-F126 HydrophobicContact CD1-CE2 4.36Å; F98-F126 AromaticContact CD1-CZ 3.75Å; F98-F126 HydrophobicContact CD1-CZ 3.75Å; F98-F126 HydrophobicContact CG-CZ 4.08Å; E103-F126 WeakPolarHBondContact O-CA 3.35Å; V104-F126 HydrophobicContact CG2-CD1 4.01Å; V104-F126 HydrophobicContact CG2-CE1 3.64Å; V104-F126 HydrophobicContact CG2-CZ 4.3Å; V124-F126 HydrophobicContact CG1-CD2 4.24Å; V124-F126 HydrophobicContact CG1-CE2 3.9Å; V124-F126 HydrophobicContact CG1-CZ 4.12Å; F126-E128 WeakPolarHBondContact CB-O 3.28Å; F126-S131 VanDerWaalsContact CD1-CB 3.4Å; F126-V132 HydrophobicContact CB-CG2 4.4Å; F126-V132 HydrophobicContact CD2-CG2 3.76Å; F126-V132 HydrophobicContact CE2-CG2 4.5Å; F126-V132 HydrophobicContact CG-CG2 4.43Å; F126-V135 HydrophobicContact CE2-CG2 4.31Å; F126-V135 HydrophobicContact CZ-CG2 4.02Å
127K86.8Confident85.8Confident120 Ų12055.9 Ų55.952%0.52226%0.26SS..SBendtrans-71.4-35.9173.6-170.9174.5177.7177.30112E103 V105E103-K127 HydrophobicContact CB-CB 4.18Å; E103-K127 HydrophobicContact CB-CD 4.3Å; E103-K127 VanDerWaalsContact CD-NZ 3.27Å; E103-K127 HydrophobicContact CG-CD 4.21Å; E103-K127 PolarHBondContact O-N 3.07Å; E103-K127 WeakPolarHBondContact OE1-CD 3.35Å; E103-K127 IonicContact OE1-NZ 3.04Å; E103-K127 PolarHBondContact OE1-NZ 2.83Å; E103-K127 WeakPolarHBondContact OE2-CD 3.25Å; E103-K127 IonicContact OE2-NZ 2.78Å; E103-K127 PolarHBondContact OE2-NZ 3.23Å; V105-K127 VanDerWaalsContact CG2-CA 3.49Å; V105-K127 HydrophobicContact CG2-CB 3.58Å; V105-K127 HydrophobicContact CG2-CG 4.2Å
128E84.9Confident85.9Confident108 Ų10852.9 Ų52.951%0.50525%0.253SS..SBendtrans-120.9136.3-179.3-63.6-172172.600110.3F126 E130 S131F126-E128 WeakPolarHBondContact CB-O 3.28Å; E128-E130 PolarHBondContact O-N 2.78Å; E128-S131 VanDerWaalsContact O-CB 3.27Å; E128-S131 WeakPolarHBondContact O-CB 2.95Å; E128-S131 PolarHBondContact O-N 2.78Å; E128-S131 VanDerWaalsContact O-N 3.15Å; E128-S131 PolarHBondContact O-OG 2.99Å
129S83.9Confident85.2Confident47 Ų4762.4 Ų62.433%0.32929%0.293SS..Hα-helixtrans-64.4-26.7175.251.50000112.6S131 V132 D133S129-S131 PolarHBondContact O-N 2.78Å; S129-S131 VanDerWaalsContact O-N 3.16Å; S129-V132 WeakPolarHBondContact O-CA 3.23Å; S129-V132 WeakPolarHBondContact O-CB 3.46Å; S129-V132 PolarHBondContact O-N 3.04Å; S129-D133 PolarHBondContact O-N 3.21Å
130E85.7Confident85.1Confident113 Ų11361.2 Ų61.253%0.52829%0.294SS..Hα-helixtrans-58.5-30.5173.2-62.4-169.1179.600112.9E128 V132 D133 K134E128-E130 PolarHBondContact O-N 2.78Å; E130-V132 PolarHBondContact O-N 3.24Å; E130-D133 PolarHBondContact O-N 2.84Å; E130-K134 WeakPolarHBondContact O-CG 3.23Å; E130-K134 PolarHBondContact O-N 2.84Å; E130-K134 IonicContact OE2-NZ 3.66Å
131S85.6Confident85.1Confident3 Ų360.9 Ų60.92%0.02129%0.29CS..Hα-helixtrans-65.4-34.1177.2-50.30000110.9G102 F126 E128 S129 V135G102-S131 WeakPolarHBondContact CA-OG 3.5Å; F126-S131 VanDerWaalsContact CD1-CB 3.4Å; E128-S131 VanDerWaalsContact O-CB 3.27Å; E128-S131 WeakPolarHBondContact O-CB 2.95Å; E128-S131 PolarHBondContact O-N 2.78Å; E128-S131 VanDerWaalsContact O-N 3.15Å; E128-S131 PolarHBondContact O-OG 2.99Å; S129-S131 PolarHBondContact O-N 2.78Å; S129-S131 VanDerWaalsContact O-N 3.16Å; S131-V135 VanDerWaalsContact O-CG2 3.3Å; S131-V135 WeakPolarHBondContact O-CG2 3.28Å; S131-V135 PolarHBondContact O-N 2.88Å; S131-V135 VanDerWaalsContact O-N 3.16Å
132V83.5Confident84.9Confident1 Ų164.4 Ų64.41%0.00631%0.305CS..Hα-helixtrans-67.3-42.1175.51720000110.8M80 F126 S129 E130 V135 M136 R152M80-V132 HydrophobicContact CE-CG1 3.93Å; M80-V132 HydrophobicContact CG-CB 4.14Å; M80-V132 HydrophobicContact CG-CG1 3.78Å; M80-V132 HydrophobicContact CG-CG2 3.56Å; M80-V132 HydrophobicContact SD-CB 4.28Å; M80-V132 HydrophobicContact SD-CG1 3.3Å; M80-V132 WeakPolarHBondContact SD-CG1 3.39Å; M80-V132 HydrophobicContact SD-CG2 4.28Å; F126-V132 HydrophobicContact CB-CG2 4.4Å; F126-V132 HydrophobicContact CD2-CG2 3.76Å; F126-V132 HydrophobicContact CE2-CG2 4.5Å; F126-V132 HydrophobicContact CG-CG2 4.43Å; S129-V132 WeakPolarHBondContact O-CA 3.23Å; S129-V132 WeakPolarHBondContact O-CB 3.46Å; S129-V132 PolarHBondContact O-N 3.04Å; E130-V132 PolarHBondContact O-N 3.24Å; V132-V135 PolarHBondContact O-N 2.83Å; V132-M136 HydrophobicContact CG1-CG 4.43Å; V132-M136 WeakPolarHBondContact O-CB 3.42Å; V132-M136 VanDerWaalsContact O-CG 3.26Å; V132-M136 WeakPolarHBondContact O-CG 3.17Å; V132-M136 PolarHBondContact O-N 3.07Å; V132-R152 HydrophobicContact CG1-CG 4.2Å
133D85.6Confident84.6Confident62 Ų6264.8 Ų64.833%0.33231%0.307SS..Hα-helixtrans-63.5-44.3177.2-63.2-39.8000111.3S129 E130 V135 M136 D137 R152S129-D133 PolarHBondContact O-N 3.21Å; E130-D133 PolarHBondContact O-N 2.84Å; D133-V135 VanDerWaalsContact C-N 3.28Å; D133-V135 PolarHBondContact O-N 3.34Å; D133-M136 CarbonylContact O-C 3.57Å; D133-M136 WeakPolarHBondContact O-CA 3.38Å; D133-M136 WeakPolarHBondContact O-CB 3.34Å; D133-M136 PolarHBondContact O-N 2.97Å; D133-D137 PolarHBondContact O-N 3.11Å; D133-R152 IonicContact OD1-CZ 3.48Å; D133-R152 IonicContact OD1-NH1 3.56Å; D133-R152 IonicContact OD1-NH2 2.64Å; D133-R152 PolarHBondContact OD1-NH2 2.78Å
134K86.1Confident84.1Confident97 Ų9767.1 Ų67.142%0.42232%0.321SS..Hα-helixtrans-60.4-35.9175.8-69.7165.3-170.5159.40113F101 E130F101-K134 HydrophobicContact CD1-CB 4.45Å; E130-K134 WeakPolarHBondContact O-CG 3.23Å; E130-K134 PolarHBondContact O-N 2.84Å; E130-K134 IonicContact OE2-NZ 3.66Å
135V85.4Confident83.6Confident0 Ų071.1 Ų71.10%036%0.362CS..Hα-helixtrans-69-44.7172.71720000109.9M80 F98 F101 F126 S131 V132 D133 D137 Q138 H141 P150M80-V135 HydrophobicContact CE-CB 4.2Å; M80-V135 HydrophobicContact CE-CG1 3.73Å; F98-V135 HydrophobicContact CD1-CG2 3.95Å; F98-V135 HydrophobicContact CE1-CG1 3.85Å; F98-V135 HydrophobicContact CE1-CG2 4.09Å; F101-V135 HydrophobicContact CB-CG2 3.56Å; F101-V135 HydrophobicContact CD1-CG2 4.09Å; F101-V135 HydrophobicContact CD2-CG2 3.99Å; F101-V135 HydrophobicContact CG-CG2 3.59Å; F126-V135 HydrophobicContact CE2-CG2 4.31Å; F126-V135 HydrophobicContact CZ-CG2 4.02Å; S131-V135 VanDerWaalsContact O-CG2 3.3Å; S131-V135 WeakPolarHBondContact O-CG2 3.28Å; S131-V135 PolarHBondContact O-N 2.88Å; S131-V135 VanDerWaalsContact O-N 3.16Å; V132-V135 PolarHBondContact O-N 2.83Å; D133-V135 VanDerWaalsContact C-N 3.28Å; D133-V135 PolarHBondContact O-N 3.34Å; V135-D137 VanDerWaalsContact C-N 3.32Å; V135-D137 PolarHBondContact O-N 3.39Å; V135-Q138 WeakPolarHBondContact O-CB 3.32Å; V135-Q138 PolarHBondContact O-N 3.36Å; V135-Q138 VanDerWaalsContact O-N 3.13Å; V135-H141 WeakPolarHBondContact CG1-NE2 3.06Å; V135-H141 PolarHBondContact O-CE1 3.42Å; V135-H141 PolarHBondContact O-NE2 3.37Å; V135-P150 HydrophobicContact CG1-CB 3.57Å; V135-P150 HydrophobicContact CG1-CG 3.58Å
136M84.8Confident83.4Confident66 Ų6674.6 Ų74.633%0.32538%0.377SS..Hα-helixtrans-63.8-34.1179.1-75.8-79160.300114M80 V132 D133 Q138 P150 R152M80-M136 HydrophobicContact CE-CE 3.38Å; M80-M136 HydrophobicContact CE-CG 4.24Å; M80-M136 HydrophobicContact SD-CE 3.81Å; V132-M136 HydrophobicContact CG1-CG 4.43Å; V132-M136 WeakPolarHBondContact O-CB 3.42Å; V132-M136 VanDerWaalsContact O-CG 3.26Å; V132-M136 WeakPolarHBondContact O-CG 3.17Å; V132-M136 PolarHBondContact O-N 3.07Å; D133-M136 CarbonylContact O-C 3.57Å; D133-M136 WeakPolarHBondContact O-CA 3.38Å; D133-M136 WeakPolarHBondContact O-CB 3.34Å; D133-M136 PolarHBondContact O-N 2.97Å; M136-Q138 PolarHBondContact O-N 3.41Å; M136-P150 WeakPolarHBondContact CE-O 3.42Å; M136-R152 HydrophobicContact CE-CB 4.38Å; M136-R152 HydrophobicContact CE-CG 3.72Å
137D85.3Confident83.3Confident137 Ų13778.1 Ų78.173%0.73340%0.399SS*.Hα-helixtrans-66.3-24.4176.6-74.6-18.5000111.9D133 V135 K139D133-D137 PolarHBondContact O-N 3.11Å; V135-D137 VanDerWaalsContact C-N 3.32Å; V135-D137 PolarHBondContact O-N 3.39Å; D137-K139 PolarHBondContact O-N 3.37Å
138Q81.9Confident83.4Confident85 Ų8572.6 Ų72.640%0.39738%0.375SS..  trans-78.4114.1171-76.3-155-7.900111.2F101 V135 M136 E140 H141F101-Q138 HydrophobicContact CE1-CG 3.97Å; F101-Q138 VanDerWaalsContact CE1-NE2 3.29Å; F101-Q138 VanDerWaalsContact CZ-CD 3.49Å; V135-Q138 WeakPolarHBondContact O-CB 3.32Å; V135-Q138 PolarHBondContact O-N 3.36Å; V135-Q138 VanDerWaalsContact O-N 3.13Å; M136-Q138 PolarHBondContact O-N 3.41Å; Q138-E140 VanDerWaalsContact C-N 3.3Å; Q138-E140 PolarHBondContact O-N 3.25Å; Q138-H141 WeakPolarHBondContact CB-CE1 3.43Å; Q138-H141 PolarHBondContact OE1-CE1 3.18Å; Q138-H141 PolarHBondContact OE1-ND1 3.33Å
139K71.5Confident83.4Confident206 Ų20672.4 Ų72.490%0.89638%0.378SS*.SBendtrans-66.7-27.4-178.1-167.1173.6-178.4178.60114.3D137D137-K139 PolarHBondContact O-N 3.37Å
140E81.2Confident83.5Confident128 Ų12871.1 Ų71.160%0.59837%0.368SS*.  trans-142.3132.4178-67.8-168.1150.600110.8Q138 K142Q138-E140 VanDerWaalsContact C-N 3.3Å; Q138-E140 PolarHBondContact O-N 3.25Å; E140-K142 IonicContact OE2-NZ 3.57Å
141H83.5Confident83.5Confident1 Ų171.4 Ų71.41%0.00537%0.367CS..EExtended strand (participates in β ladder)trans-119.4138.2171.2-63.5-84.6000109.7Y97 F101 V135 Q138 V147 I148 P150Y97-H141 HydrophobicContact CE1-CB 4.18Å; Y97-H141 AromaticContact CE1-ND1 3.86Å; Y97-H141 AromaticContact CZ-ND1 3.97Å; Y97-H141 WeakPolarHBondContact OH-CA 3.28Å; Y97-H141 VanDerWaalsContact OH-CB 3.28Å; Y97-H141 WeakPolarHBondContact OH-CB 2.86Å; Y97-H141 PolarHBondContact OH-ND1 2.88Å; F101-H141 AromaticContact CZ-CE1 3.93Å; F101-H141 AromaticContact CZ-ND1 3.97Å; V135-H141 WeakPolarHBondContact CG1-NE2 3.06Å; V135-H141 PolarHBondContact O-CE1 3.42Å; V135-H141 PolarHBondContact O-NE2 3.37Å; Q138-H141 WeakPolarHBondContact CB-CE1 3.43Å; Q138-H141 PolarHBondContact OE1-CE1 3.18Å; Q138-H141 PolarHBondContact OE1-ND1 3.33Å; H141-V147 CarbonylContact O-C 3.49Å; H141-V147 WeakPolarHBondContact O-CA 3.33Å; H141-I148 HydrophobicContact CB-CD1 3.72Å; H141-I148 HydrophobicContact CB-CG1 3.26Å; H141-I148 PolarHBondContact O-N 3.04Å; H141-P150 WeakPolarHBondContact CD2-CG 3.47Å; H141-P150 WeakPolarHBondContact NE2-CG 3.28Å
142K84Confident83.4Confident120 Ų12077.3 Ų77.352%0.52239%0.389SS..EExtended strand (participates in β ladder)trans-127.9123.9-179.7-69.8176.1-172.8168.70109.1Y97 E140 K146 V147Y97-K142 WeakPolarHBondContact CE2-O 3.38Å; Y97-K142 PolarHBondContact OH-N 3.31Å; E140-K142 IonicContact OE2-NZ 3.57Å; K142-K146 CarbonylContact C-O 3.54Å; K142-K146 WeakPolarHBondContact CA-O 3.28Å; K142-V147 HydrophobicContact CD-CG2 4.44Å; K142-V147 HydrophobicContact CG-CG2 4.04Å
143L83.1Confident82.9Confident8 Ų877.9 Ų77.94%0.04239%0.394CS..EExtended strand (participates in β ladder)trans-132.8128.7179.3-167.9152.2000108.7T89 D93 Y97 G145 K146 I148T89-L143 HydrophobicContact CG2-CD2 3.42Å; T89-L143 VanDerWaalsContact CG2-CD2 3.42Å; D93-L143 HydrophobicContact CB-CD2 4.37Å; Y97-L143 HydrophobicContact CD1-CD1 4.09Å; Y97-L143 HydrophobicContact CD2-CD1 4.25Å; Y97-L143 HydrophobicContact CG-CD1 3.71Å; L143-G145 PolarHBondContact O-N 3.4Å; L143-K146 PolarHBondContact N-O 3.14Å; L143-K146 PolarHBondContact O-N 3.45Å; L143-K146 VanDerWaalsContact O-O 3.13Å; L143-I148 HydrophobicContact CB-CD1 4.16Å; L143-I148 HydrophobicContact CB-CG2 3.87Å; L143-I148 HydrophobicContact CD1-CD1 4.48Å
144N78.1Confident81.9Confident88 Ų8883.3 Ų83.347%0.47141%0.414SS..THydrogen-bonded Turntrans51.541.5-177.1-62.3-14.5000113.2K146N144-K146 PolarHBondContact O-N 3.2Å
145G78.9Confident80.5Confident84 Ų8480.4 Ų80.487%0.86641%0.409SS*.THydrogen-bonded Turntrans73.83.318000000115.1L143L143-G145 PolarHBondContact O-N 3.4Å
146K83.4Confident79Confident87 Ų8788.4 Ų88.438%0.37845%0.448SS..EExtended strand (participates in β ladder)trans-114.3139.7-179.8-158.6160.6178.1-93.30110.9G84 L85 K142 L143 N144 I148G84-K146 VanDerWaalsContact C-NZ 3.34Å; G84-K146 WeakPolarHBondContact O-CD 3.13Å; G84-K146 WeakPolarHBondContact O-CG 3.19Å; G84-K146 PolarHBondContact O-NZ 2.83Å; L85-K146 PolarHBondContact O-NZ 2.99Å; K142-K146 CarbonylContact C-O 3.54Å; K142-K146 WeakPolarHBondContact CA-O 3.28Å; L143-K146 PolarHBondContact N-O 3.14Å; L143-K146 PolarHBondContact O-N 3.45Å; L143-K146 VanDerWaalsContact O-O 3.13Å; N144-K146 PolarHBondContact O-N 3.2Å; K146-I148 PolarHBondContact O-N 2.73Å
147V86.1Confident77.3Confident80 Ų8092 Ų9249%0.48546%0.462SS..EExtended strand (participates in β ladder)trans-73.1123.9174.9-174.50000108.3H141 K142H141-V147 CarbonylContact O-C 3.49Å; H141-V147 WeakPolarHBondContact O-CA 3.33Å; K142-V147 HydrophobicContact CD-CG2 4.44Å; K142-V147 HydrophobicContact CG-CG2 4.04Å
148I88.7Confident75.5Confident4 Ų489.9 Ų89.92%0.02145%0.454CS..EExtended strand (participates in β ladder)trans-100.1146.7174.969.6179.3000109.2I82 G83 L85 Y97 F98 H141 L143 K146 P150I82-I148 HydrophobicContact CG2-CB 4.16Å; I82-I148 HydrophobicContact CG2-CD1 4.08Å; I82-I148 HydrophobicContact CG2-CG1 4.47Å; G83-I148 CarbonylContact O-C 3.55Å; G83-I148 WeakPolarHBondContact O-CA 3.49Å; L85-I148 HydrophobicContact CD2-CG2 3.73Å; L85-I148 HydrophobicContact CG-CG2 4.44Å; Y97-I148 HydrophobicContact CD1-CD1 4.22Å; Y97-I148 HydrophobicContact CE1-CD1 3.86Å; F98-I148 HydrophobicContact CE2-CD1 4Å; F98-I148 HydrophobicContact CZ-CD1 3.63Å; H141-I148 HydrophobicContact CB-CD1 3.72Å; H141-I148 HydrophobicContact CB-CG1 3.26Å; H141-I148 PolarHBondContact O-N 3.04Å; L143-I148 HydrophobicContact CB-CD1 4.16Å; L143-I148 HydrophobicContact CB-CG2 3.87Å; L143-I148 HydrophobicContact CD1-CD1 4.48Å; K146-I148 PolarHBondContact O-N 2.73Å; I148-P150 WeakPolarHBondContact O-CD 3.38Å
149D85.4Confident74.2Confident104 Ų10494.1 Ų94.156%0.55647%0.471SS*.EExtended strand (participates in β ladder)trans-116.389.7-179-168.1-67000107.8G83G83-D149 PolarHBondContact N-O 3.42Å; G83-D149 PolarHBondContact O-N 3.09Å
150P85.7Confident73.4Confident19 Ų1988.9 Ų88.912%0.12345%0.45CS..EExtended strand (participates in β ladder)trans-74.4127.7172.727.3-26.4000109.3M80 F81 I82 V135 M136 H141 I148M80-P150 HydrophobicContact CE-CB 3.79Å; F81-P150 CarbonylContact O-C 3.56Å; F81-P150 WeakPolarHBondContact O-CA 3.36Å; I82-P150 HydrophobicContact CD1-CB 3.76Å; V135-P150 HydrophobicContact CG1-CB 3.57Å; V135-P150 HydrophobicContact CG1-CG 3.58Å; M136-P150 WeakPolarHBondContact CE-O 3.42Å; H141-P150 WeakPolarHBondContact CD2-CG 3.47Å; H141-P150 WeakPolarHBondContact NE2-CG 3.28Å; I148-P150 WeakPolarHBondContact O-CD 3.38Å
151K85.6Confident72.1Confident119 Ų11986.1 Ų86.152%0.51744%0.443SS..EExtended strand (participates in β ladder)trans-128146177.1-167.8166.6-172.51590109.1M80 F81 A153M80-K151 VanDerWaalsContact SD-O 3.37Å; F81-K151 HydrophobicContact CD1-CB 4.15Å; F81-K151 PolarHBondContact N-O 2.93Å; F81-K151 PolarHBondContact O-N 3.08Å; F81-K151 VanDerWaalsContact O-O 3.13Å; K151-A153 PolarHBondContact O-N 3.19Å; K151-A153 VanDerWaalsContact O-N 3.11Å
152R83.6Confident71.2Confident128 Ų12887.8 Ų87.848%0.48345%0.453SS..EExtended strand (participates in β ladder)trans-54.7124.9171.7-67.7-166.7-171.3-114.63.5107.4M80 V132 D133 M136 K154M80-R152 VanDerWaalsContact SD-CA 3.56Å; M80-R152 HydrophobicContact SD-CG 4.27Å; V132-R152 HydrophobicContact CG1-CG 4.2Å; D133-R152 IonicContact OD1-CZ 3.48Å; D133-R152 IonicContact OD1-NH1 3.56Å; D133-R152 IonicContact OD1-NH2 2.64Å; D133-R152 PolarHBondContact OD1-NH2 2.78Å; M136-R152 HydrophobicContact CE-CB 4.38Å; M136-R152 HydrophobicContact CE-CG 3.72Å; R152-K154 PolarHBondContact O-N 3.3Å
153A72.1Confident70.8Confident12 Ų1286.8 Ų86.810%0.09945%0.449CS..  trans-63.9115.3-178.900000106.7K79 F81 F123 K151 A155K79-A153 HydrophobicContact CB-CB 3.92Å; K79-A153 HydrophobicContact CD-CB 4.12Å; K79-A153 HydrophobicContact CG-CB 3.65Å; K79-A153 WeakPolarHBondContact O-CB 3.37Å; K79-A153 PolarHBondContact O-N 2.94Å; F81-A153 HydrophobicContact CB-CB 4.4Å; F123-A153 HydrophobicContact CD1-CB 4.35Å; K151-A153 PolarHBondContact O-N 3.19Å; K151-A153 VanDerWaalsContact O-N 3.11Å; A153-A155 PolarHBondContact O-N 2.85Å; A153-A155 VanDerWaalsContact O-N 3.07Å
154K65.6Low70.8Confident176 Ų17689.3 Ų89.377%0.76546%0.459SS*.  trans-68.5109.5158.7-66-172.4178.1-171.10104.1R152 M156R152-K154 PolarHBondContact O-N 3.3Å; K154-M156 PolarHBondContact O-N 3.04Å
155A57Low71.2Confident36 Ų3685.1 Ų85.130%0.29844%0.437SS..  trans-46.2112.1162.200000105.6D76 A153 K157D76-A155 WeakPolarHBondContact OD1-CB 3.43Å; A153-A155 PolarHBondContact O-N 2.85Å; A153-A155 VanDerWaalsContact O-N 3.07Å; A155-K157 PolarHBondContact O-N 3.04Å
156M53.1Low71.6Confident169 Ų16983.4 Ų83.483%0.83341%0.406SS*.  trans-62.395.9160.2-81.1-175.6178.500102.1K154 T158K154-M156 PolarHBondContact O-N 3.04Å; M156-T158 VanDerWaalsContact C-N 3.31Å; M156-T158 VanDerWaalsContact O-CA 3.23Å; M156-T158 WeakPolarHBondContact O-CA 3.23Å; M156-T158 PolarHBondContact O-N 3.26Å; M156-T158 PolarHBondContact O-OG1 2.79Å
157K49.5Very low71.7Confident142 Ų14279.2 Ų79.262%0.61739%0.388SS*.  trans-37105.3176.3-75.3178.3167.9-159.70105.7A155 K159 E160A155-K157 PolarHBondContact O-N 3.04Å; K157-K159 PolarHBondContact O-N 3.15Å; K157-E160 HydrophobicContact CB-CG 4.36Å; K157-E160 HydrophobicContact CD-CG 4.24Å; K157-E160 WeakPolarHBondContact CD-OE1 3.43Å; K157-E160 VanDerWaalsContact CE-OE1 3.31Å; K157-E160 WeakPolarHBondContact CE-OE1 3.23Å; K157-E160 IonicContact NZ-OE1 2.65Å; K157-E160 PolarHBondContact NZ-OE1 2.79Å
158T47.8Very low71.6Confident91 Ų9175.8 Ų75.856%0.55837%0.368SS*.  trans-75.469.1-160.7-36.80000106.8A70 M156A70-T158 PolarHBondContact O-OG1 2.76Å; M156-T158 VanDerWaalsContact C-N 3.31Å; M156-T158 VanDerWaalsContact O-CA 3.23Å; M156-T158 WeakPolarHBondContact O-CA 3.23Å; M156-T158 PolarHBondContact O-N 3.26Å; M156-T158 PolarHBondContact O-OG1 2.79Å
159K55.4Low71.2Confident174 Ų17477.7 Ų77.776%0.75739%0.389SS*.  trans36.988.1-160.5-70174.9177.3177.30109.9K157K157-K159 PolarHBondContact O-N 3.15Å
160E54.2Low71.1Confident96 Ų9673.2 Ų73.245%0.44937%0.365SS..  trans-33.6125.3166.6-77.7176.1174.100108.1K157 V162K157-E160 HydrophobicContact CB-CG 4.36Å; K157-E160 HydrophobicContact CD-CG 4.24Å; K157-E160 WeakPolarHBondContact CD-OE1 3.43Å; K157-E160 VanDerWaalsContact CE-OE1 3.31Å; K157-E160 WeakPolarHBondContact CE-OE1 3.23Å; K157-E160 IonicContact NZ-OE1 2.65Å; K157-E160 PolarHBondContact NZ-OE1 2.79Å; E160-V162 VanDerWaalsContact C-N 3.33Å; E160-V162 WeakPolarHBondContact O-CA 3.46Å; E160-V162 WeakPolarHBondContact O-CG1 3.39Å; E160-V162 PolarHBondContact O-N 2.74Å
161P54.1Low70.7Confident71 Ų7173.9 Ų73.946%0.46137%0.37SS..  trans-54.1108.5-176.423.4-33.9000106.1K163 E214P161-K163 PolarHBondContact O-N 2.64Å; P161-E214 HydrophobicContact CB-CB 4.12Å; P161-E214 WeakPolarHBondContact CB-OE2 3.26Å
162V63.3Low70.1Confident35 Ų3571.1 Ų71.121%0.21236%0.364CS..  trans-76.386.5-164.1-92.20000106.5E160 K164 V217 M221 V237E160-V162 VanDerWaalsContact C-N 3.33Å; E160-V162 WeakPolarHBondContact O-CA 3.46Å; E160-V162 WeakPolarHBondContact O-CG1 3.39Å; E160-V162 PolarHBondContact O-N 2.74Å; V162-K164 PolarHBondContact O-N 2.74Å; V162-K164 VanDerWaalsContact O-N 3.08Å; V162-V217 HydrophobicContact CG2-CG1 4.46Å; V162-V217 WeakPolarHBondContact O-CG1 3.23Å; V162-V217 WeakPolarHBondContact O-CG2 3.44Å; V162-M221 HydrophobicContact CG2-CE 4.3Å; V162-V237 HydrophobicContact CB-CG1 3.75Å; V162-V237 HydrophobicContact CG1-CG1 3.47Å; V162-V237 VanDerWaalsContact CG1-CG1 3.47Å; V162-V237 HydrophobicContact CG2-CB 4.25Å; V162-V237 HydrophobicContact CG2-CG1 3.44Å; V162-V237 VanDerWaalsContact CG2-CG1 3.44Å; V162-V237 HydrophobicContact CG2-CG2 4.14Å
163K75.3Confident69.8Low99 Ų9971.5 Ų71.543%0.4338%0.375SS..  trans-57.4-20.3171.9-63.6-169.2-178.3-156.80111.4P161 T210 F211 K212P161-K163 PolarHBondContact O-N 2.64Å; K163-T210 HydrophobicContact CB-CG2 4.44Å; K163-T210 CarbonylContact O-C 3.56Å; K163-T210 WeakPolarHBondContact O-CA 3.38Å; K163-F211 WeakPolarHBondContact CB-O 3.46Å; K163-F211 PolarHBondContact O-N 3.44Å; K163-K212 PolarHBondContact NZ-O 3.04Å
164K84.3Confident70Confident61 Ų6171.4 Ų71.427%0.26537%0.374SS..EExtended strand (participates in β ladder)trans-99.6127.2177.5-162.2168.2-179.5165.60111.3V162 E193 F208 I209 A238V162-K164 PolarHBondContact O-N 2.74Å; V162-K164 VanDerWaalsContact O-N 3.08Å; K164-E193 IonicContact NZ-OE1 2.94Å; K164-E193 PolarHBondContact NZ-OE1 3.48Å; K164-E193 IonicContact NZ-OE2 2.76Å; K164-E193 PolarHBondContact NZ-OE2 2.74Å; K164-F208 HydrophobicContact CD-CB 4.41Å; K164-F208 HydrophobicContact CG-CB 4.31Å; K164-I209 CarbonylContact C-O 3.58Å; K164-I209 VanDerWaalsContact CA-O 3.27Å; K164-I209 WeakPolarHBondContact CA-O 3.48Å; K164-A238 HydrophobicContact CB-CB 3.89Å; K164-A238 HydrophobicContact CD-CB 4.35Å; K164-A238 HydrophobicContact CG-CB 3.68Å; K164-A238 WeakPolarHBondContact O-CB 3.09Å; K164-A238 PolarHBondContact O-N 3.12Å; K164-A238 VanDerWaalsContact O-N 3.1Å
165I86.6Confident70.8Confident0 Ų064.9 Ų64.90%035%0.35CS..EExtended strand (participates in β ladder)trans-110.5148.9171.262.6165.7000110.7V167 F183 F208 I209 F211 V217 I220 M221 I235I165-V167 HydrophobicContact CD1-CG2 3.75Å; I165-V167 HydrophobicContact CG1-CG2 4.14Å; I165-F183 HydrophobicContact CD1-CD1 4.24Å; I165-F183 HydrophobicContact CD1-CE1 4.02Å; I165-F208 CarbonylContact O-C 3.55Å; I165-F208 VanDerWaalsContact O-CA 3.27Å; I165-F208 WeakPolarHBondContact O-CA 3.4Å; I165-I209 HydrophobicContact CD1-CB 4.22Å; I165-I209 HydrophobicContact CD1-CD1 4.3Å; I165-I209 HydrophobicContact CG1-CB 3.74Å; I165-I209 HydrophobicContact CG1-CG1 4.47Å; I165-I209 PolarHBondContact N-O 3.47Å; I165-I209 PolarHBondContact O-N 3.18Å; I165-F211 HydrophobicContact CD1-CE2 3.59Å; I165-F211 HydrophobicContact CD1-CZ 4.29Å; I165-F211 HydrophobicContact CG1-CD2 4.46Å; I165-F211 HydrophobicContact CG1-CE2 3.83Å; I165-V217 HydrophobicContact CG2-CB 4.03Å; I165-V217 HydrophobicContact CG2-CG1 3.41Å; I165-V217 VanDerWaalsContact CG2-CG1 3.41Å; I165-V217 HydrophobicContact CG2-CG2 3.73Å; I165-I220 HydrophobicContact CD1-CD1 4.15Å; I165-I220 HydrophobicContact CD1-CG2 4.16Å; I165-M221 HydrophobicContact CG2-CE 4.18Å; I165-I235 HydrophobicContact CB-CG2 4.06Å; I165-I235 HydrophobicContact CD1-CG2 3.97Å; I165-I235 HydrophobicContact CG2-CG2 4.49Å
166F86.5Confident72Confident48 Ų4867 Ų6721%0.21135%0.353CS..EExtended strand (participates in β ladder)trans-99.7124.8168.9169.1-92.3000108F206 F208 I235 K236 A238F166-F206 HydrophobicContact CD2-CB 4.47Å; F166-F206 HydrophobicContact CD2-CD2 4.31Å; F166-F206 HydrophobicContact CE2-CB 3.55Å; F166-F206 HydrophobicContact CE2-CD1 4.28Å; F166-F206 AromaticContact CE2-CD2 3.6Å; F166-F206 HydrophobicContact CE2-CD2 3.6Å; F166-F206 HydrophobicContact CE2-CE2 4.35Å; F166-F206 AromaticContact CE2-CG 3.58Å; F166-F206 HydrophobicContact CE2-CG 3.58Å; F166-F206 HydrophobicContact CZ-CB 3.65Å; F166-F206 HydrophobicContact CZ-CD1 4.48Å; F166-F206 HydrophobicContact CZ-CD2 4.47Å; F166-F206 HydrophobicContact CZ-CG 4Å; F166-F208 HydrophobicContact CB-CD1 4.12Å; F166-F208 HydrophobicContact CB-CE1 4.03Å; F166-F208 HydrophobicContact CD2-CD1 4.12Å; F166-F208 AromaticContact CD2-CE1 3.58Å; F166-F208 HydrophobicContact CD2-CE1 3.58Å; F166-F208 HydrophobicContact CD2-CE2 4.47Å; F166-F208 AromaticContact CD2-CZ 3.77Å; F166-F208 HydrophobicContact CD2-CZ 3.77Å; F166-F208 HydrophobicContact CE2-CZ 4.35Å; F166-F208 HydrophobicContact CG-CE1 4.28Å; F166-I235 CarbonylContact O-C 3.54Å; F166-I235 VanDerWaalsContact O-CA 3.31Å; F166-I235 WeakPolarHBondContact O-CA 3.49Å; F166-K236 HydrophobicContact CB-CB 4.39Å; F166-K236 HydrophobicContact CD1-CB 4.06Å; F166-K236 HydrophobicContact CD1-CD 4.21Å; F166-K236 HydrophobicContact CD1-CG 4.2Å; F166-K236 HydrophobicContact CE1-CD 4.45Å; F166-K236 PolarHBondContact N-O 3.44Å; F166-K236 PolarHBondContact O-N 2.95Å; F166-A238 HydrophobicContact CB-CB 4.32Å
167V85.7Confident73.6Confident0 Ų066.5 Ų66.50%035%0.349CS..EExtended strand (participates in β ladder)trans-113.5104.5175.9-174.60000107.6I165 L170 F183 F206 C207 I209 C233 E234 I235I165-V167 HydrophobicContact CD1-CG2 3.75Å; I165-V167 HydrophobicContact CG1-CG2 4.14Å; V167-L170 HydrophobicContact CB-CD1 4.22Å; V167-L170 HydrophobicContact CG1-CD1 3.88Å; V167-L170 HydrophobicContact CG1-CD2 4.39Å; V167-L170 HydrophobicContact CG1-CG 4.05Å; V167-F183 HydrophobicContact CB-CZ 4.46Å; V167-F183 HydrophobicContact CG1-CE2 4.14Å; V167-F183 HydrophobicContact CG1-CZ 3.91Å; V167-F183 HydrophobicContact CG2-CE1 4.31Å; V167-F183 HydrophobicContact CG2-CE2 4.06Å; V167-F183 HydrophobicContact CG2-CZ 3.68Å; V167-F206 CarbonylContact O-C 3.46Å; V167-F206 WeakPolarHBondContact O-CA 3.5Å; V167-F206 WeakPolarHBondContact O-CB 3.27Å; V167-C207 PolarHBondContact N-O 3.04Å; V167-C207 PolarHBondContact O-N 2.86Å; V167-I209 HydrophobicContact CG2-CD1 3.79Å; V167-I209 HydrophobicContact CG2-CG1 4.25Å; V167-C233 HydrophobicContact CG1-CB 3.74Å; V167-E234 CarbonylContact C-O 3.55Å; V167-E234 WeakPolarHBondContact CA-O 3.41Å; V167-I235 HydrophobicContact CG1-CG1 4.26Å; V167-I235 HydrophobicContact CG2-CD1 4.36Å; V167-I235 HydrophobicContact CG2-CG1 4.22Å
168G84.6Confident75.2Confident7 Ų765 Ų657%0.07234%0.343CS..EExtended strand (participates in β ladder)trans-99.1159.917700000112.4C233 E234G168-C233 CarbonylContact O-C 3.57Å; G168-C233 WeakPolarHBondContact O-CA 3.49Å; G168-C233 WeakPolarHBondContact O-CB 3.5Å; G168-E234 PolarHBondContact N-O 2.73Å; G168-E234 PolarHBondContact O-N 2.87Å
169G81Confident76.9Confident44 Ų4460.8 Ų60.845%0.45432%0.316SS..  trans79.123179.100000113.9G205 S231G169-G205 PolarHBondContact N-O 2.76Å; G169-S231 WeakPolarHBondContact O-CB 3.37Å
170L81.4Confident78.4Confident11 Ų1159.5 Ų59.56%0.05831%0.307CS..  trans-75.6138.2169.2-73.4162.5000109.4V167 T174 I179 G205 C207 V228 C233V167-L170 HydrophobicContact CB-CD1 4.22Å; V167-L170 HydrophobicContact CG1-CD1 3.88Å; V167-L170 HydrophobicContact CG1-CD2 4.39Å; V167-L170 HydrophobicContact CG1-CG 4.05Å; L170-T174 HydrophobicContact CD2-CG2 4.47Å; L170-I179 HydrophobicContact CD1-CD1 3.71Å; L170-I179 HydrophobicContact CD1-CG1 4.42Å; L170-I179 HydrophobicContact CD2-CD1 4.11Å; L170-I179 HydrophobicContact CD2-CG1 4.09Å; L170-G205 PolarHBondContact N-O 2.87Å; L170-G205 CarbonylContact O-C 3.54Å; L170-G205 WeakPolarHBondContact O-CA 3.27Å; L170-C207 HydrophobicContact CD1-CB 3.84Å; L170-C207 WeakPolarHBondContact CD1-SG 3.49Å; L170-V228 HydrophobicContact CD2-CB 3.88Å; L170-V228 HydrophobicContact CD2-CG1 4.03Å; L170-V228 HydrophobicContact CD2-CG2 4.35Å; L170-C233 WeakPolarHBondContact CD2-SG 3.37Å
171S77.4Confident79.9Confident32 Ų3262.3 Ų62.322%0.22432%0.32CS..  trans-66.8140.1169.4167.20000109.9D173 T174 S231S171-D173 PolarHBondContact O-N 2.94Å; S171-D173 VanDerWaalsContact O-N 3.13Å; S171-D173 PolarHBondContact OG-N 2.87Å; S171-T174 VanDerWaalsContact O-CB 3.28Å; S171-T174 WeakPolarHBondContact O-CB 3.21Å; S171-T174 PolarHBondContact O-N 2.98Å; S171-T174 PolarHBondContact O-OG1 2.93Å; S171-T174 VanDerWaalsContact O-OG1 3.06Å; S171-S231 WeakPolarHBondContact CB-OG 3.14Å; S171-S231 PolarHBondContact N-OG 2.78Å
172P74.2Confident81.4Confident61 Ų6162.4 Ų62.440%0.39631%0.311SS..THydrogen-bonded Turntrans-58.5-23.7176.425.9-35.8000113.2T174 R203P172-T174 VanDerWaalsContact C-N 3.26Å; P172-T174 PolarHBondContact O-N 3.11Å; P172-R203 HydrophobicContact CB-CB 4.18Å; P172-R203 VanDerWaalsContact O-CD 3.31Å; P172-R203 WeakPolarHBondContact O-CD 3.34Å; P172-R203 PolarHBondContact O-NH1 2.94Å
173D76.3Confident82.3Confident136 Ų13660.7 Ų60.773%0.72730%0.301SS*.THydrogen-bonded Turntrans-79.9-7.2177.7-56.6-59000113.1S171 P175S171-D173 PolarHBondContact O-N 2.94Å; S171-D173 VanDerWaalsContact O-N 3.13Å; S171-D173 PolarHBondContact OG-N 2.87Å; D173-P175 VanDerWaalsContact O-CD 3.26Å; D173-P175 WeakPolarHBondContact O-CD 3.38Å
174T77.4Confident82.7Confident11 Ų1157.8 Ų57.87%0.06730%0.299CS..  trans-78.6115.2-179.9-48.50000109.9L170 S171 P172 K178 I179 R203 V228L170-T174 HydrophobicContact CD2-CG2 4.47Å; S171-T174 VanDerWaalsContact O-CB 3.28Å; S171-T174 WeakPolarHBondContact O-CB 3.21Å; S171-T174 PolarHBondContact O-N 2.98Å; S171-T174 PolarHBondContact O-OG1 2.93Å; S171-T174 VanDerWaalsContact O-OG1 3.06Å; P172-T174 VanDerWaalsContact C-N 3.26Å; P172-T174 PolarHBondContact O-N 3.11Å; T174-K178 HydrophobicContact CG2-CB 4.25Å; T174-I179 HydrophobicContact CG2-CD1 4.49Å; T174-I179 HydrophobicContact CG2-CG1 4.13Å; T174-R203 PolarHBondContact O-NH1 3.35Å; T174-V228 HydrophobicContact CG2-CG1 4.2Å
175P81Confident82.6Confident39 Ų3958.2 Ų58.225%0.25332%0.321SS..  trans-72.8157.1175.832-35.9000111.5D173 E177 K178D173-P175 VanDerWaalsContact O-CD 3.26Å; D173-P175 WeakPolarHBondContact O-CD 3.38Å; P175-E177 PolarHBondContact O-N 3.24Å; P175-K178 HydrophobicContact CG-CB 4.4Å; P175-K178 HydrophobicContact CG-CD 4.14Å; P175-K178 HydrophobicContact CG-CG 3.94Å; P175-K178 PolarHBondContact O-N 3.06Å
176E83.3Confident82.4Confident81 Ų8160.8 Ų60.838%0.37933%0.332SS..Hα-helixtrans-55.3-36.2174.5179.6-177.8155.500112.4K178 I179 R180 I192 L194E176-K178 VanDerWaalsContact C-N 3.32Å; E176-K178 PolarHBondContact O-N 2.77Å; E176-I179 CarbonylContact O-C 3.59Å; E176-I179 WeakPolarHBondContact O-CA 3.23Å; E176-I179 WeakPolarHBondContact O-CB 3.45Å; E176-I179 PolarHBondContact O-N 2.7Å; E176-R180 WeakPolarHBondContact O-CB 3.33Å; E176-R180 PolarHBondContact O-N 3.39Å; E176-I192 HydrophobicContact CG-CB 4.03Å; E176-I192 HydrophobicContact CG-CD1 3.78Å; E176-I192 HydrophobicContact CG-CG1 4.46Å; E176-I192 HydrophobicContact CG-CG2 4.08Å; E176-L194 HydrophobicContact CB-CD1 3.9Å; E176-L194 HydrophobicContact CG-CD1 3.9Å
177E85.8Confident82.2Confident157 Ų15759.4 Ų59.473%0.73433%0.332SS*.Hα-helixtrans-55.9-44.8-179.2-66173.4-171.500112.4P175 I179 R180 E181P175-E177 PolarHBondContact O-N 3.24Å; E177-I179 VanDerWaalsContact C-N 3.31Å; E177-I179 PolarHBondContact O-N 2.87Å; E177-R180 PolarHBondContact O-N 3.35Å; E177-E181 WeakPolarHBondContact O-CB 3.23Å; E177-E181 PolarHBondContact O-N 3.48Å
178K84.1Confident82.2Confident112 Ų11265.1 Ų65.149%0.48736%0.358SS..Hα-helixtrans-66.6-35.5177.5-70.8-173.2-173.2178.70112.3T174 P175 E176 Y182T174-K178 HydrophobicContact CG2-CB 4.25Å; P175-K178 HydrophobicContact CG-CB 4.4Å; P175-K178 HydrophobicContact CG-CD 4.14Å; P175-K178 HydrophobicContact CG-CG 3.94Å; P175-K178 PolarHBondContact O-N 3.06Å; E176-K178 VanDerWaalsContact C-N 3.32Å; E176-K178 PolarHBondContact O-N 2.77Å; K178-Y182 WeakPolarHBondContact O-CB 3.41Å; K178-Y182 PolarHBondContact O-N 3.46Å
179I83.4Confident82.3Confident1 Ų165.5 Ų65.51%0.00536%0.359CS..Hα-helixtrans-65.9-48.7175.6-62.3168.9000108.1L170 T174 E176 E177 E181 Y182 F183 I192 L194 I209 V228L170-I179 HydrophobicContact CD1-CD1 3.71Å; L170-I179 HydrophobicContact CD1-CG1 4.42Å; L170-I179 HydrophobicContact CD2-CD1 4.11Å; L170-I179 HydrophobicContact CD2-CG1 4.09Å; T174-I179 HydrophobicContact CG2-CD1 4.49Å; T174-I179 HydrophobicContact CG2-CG1 4.13Å; E176-I179 CarbonylContact O-C 3.59Å; E176-I179 WeakPolarHBondContact O-CA 3.23Å; E176-I179 WeakPolarHBondContact O-CB 3.45Å; E176-I179 PolarHBondContact O-N 2.7Å; E177-I179 VanDerWaalsContact C-N 3.31Å; E177-I179 PolarHBondContact O-N 2.87Å; I179-E181 PolarHBondContact O-N 3.1Å; I179-Y182 PolarHBondContact O-N 3.37Å; I179-F183 HydrophobicContact CB-CD2 4.45Å; I179-F183 HydrophobicContact CG2-CD2 3.52Å; I179-F183 HydrophobicContact CG2-CE2 3.85Å; I179-F183 WeakPolarHBondContact O-CB 3.31Å; I179-F183 WeakPolarHBondContact O-CD2 3.32Å; I179-F183 PolarHBondContact O-N 3.43Å; I179-I192 HydrophobicContact CG2-CD1 4.32Å; I179-I192 HydrophobicContact CG2-CG2 4.42Å; I179-L194 HydrophobicContact CD1-CD2 4.05Å; I179-I209 HydrophobicContact CG2-CD1 3.54Å; I179-I209 HydrophobicContact CG2-CG1 4.27Å; I179-V228 HydrophobicContact CG1-CG1 4.13Å
180R85.8Confident82.5Confident147 Ų14769.2 Ų69.256%0.55537%0.365SS*.Hα-helixtrans-61.8-40.7178.6-169.6174.6-179.3160.21.3112.7E176 E177 G184 I192E176-R180 WeakPolarHBondContact O-CB 3.33Å; E176-R180 PolarHBondContact O-N 3.39Å; E177-R180 PolarHBondContact O-N 3.35Å; R180-G184 WeakPolarHBondContact O-CA 3.18Å; R180-G184 PolarHBondContact O-N 2.89Å; R180-I192 HydrophobicContact CB-CD1 3.6Å; R180-I192 HydrophobicContact CG-CD1 4.07Å
181E86.2Confident82.5Confident156 Ų15670.9 Ų70.973%0.72938%0.378SS*.Hα-helixtrans-65-48.1177.4-173.3179.6-175.100111.1E177 I179 G185E177-E181 WeakPolarHBondContact O-CB 3.23Å; E177-E181 PolarHBondContact O-N 3.48Å; I179-E181 PolarHBondContact O-N 3.1Å; E181-G185 PolarHBondContact O-N 2.8Å
182Y85.4Confident82.9Confident72 Ų7270.4 Ų70.428%0.28237%0.372SS..Hα-helixtrans-64.3-50.3178.8-175.8-93.1000111.9K178 I179 G185 F186 H226 N227 V228K178-Y182 WeakPolarHBondContact O-CB 3.41Å; K178-Y182 PolarHBondContact O-N 3.46Å; I179-Y182 PolarHBondContact O-N 3.37Å; Y182-G185 PolarHBondContact O-N 2.79Å; Y182-F186 AromaticContact CD1-CE2 3.94Å; Y182-F186 HydrophobicContact CD1-CE2 3.94Å; Y182-F186 HydrophobicContact CE1-CD2 4.4Å; Y182-F186 AromaticContact CE1-CE2 3.51Å; Y182-F186 HydrophobicContact CE1-CE2 3.51Å; Y182-F186 HydrophobicContact CE1-CZ 4.17Å; Y182-F186 HydrophobicContact CE2-CE2 4.39Å; Y182-F186 AromaticContact CZ-CE2 3.77Å; Y182-F186 WeakPolarHBondContact O-CD2 3.47Å; Y182-F186 WeakPolarHBondContact O-CE2 3.49Å; Y182-H226 HydrophobicContact CE1-CB 3.97Å; Y182-H226 AromaticContact CE1-ND1 3.75Å; Y182-H226 AromaticContact CZ-ND1 3.95Å; Y182-H226 PolarHBondContact OH-ND1 3.26Å; Y182-N227 WeakPolarHBondContact CE2-O 3.35Å; Y182-V228 HydrophobicContact CD1-CG2 3.85Å; Y182-V228 HydrophobicContact CE1-CG2 4.16Å; Y182-V228 HydrophobicContact CG-CG2 4.23Å
183F83.5Confident83.3Confident0 Ų071.8 Ų71.80%037%0.373CS..Hα-helixtrans-75.6-27.1-178.2-73.8-71.3000113.2I165 V167 I179 G185 F186 G187 V189 I209 F211 I220 V228 I235I165-F183 HydrophobicContact CD1-CD1 4.24Å; I165-F183 HydrophobicContact CD1-CE1 4.02Å; V167-F183 HydrophobicContact CB-CZ 4.46Å; V167-F183 HydrophobicContact CG1-CE2 4.14Å; V167-F183 HydrophobicContact CG1-CZ 3.91Å; V167-F183 HydrophobicContact CG2-CE1 4.31Å; V167-F183 HydrophobicContact CG2-CE2 4.06Å; V167-F183 HydrophobicContact CG2-CZ 3.68Å; I179-F183 HydrophobicContact CB-CD2 4.45Å; I179-F183 HydrophobicContact CG2-CD2 3.52Å; I179-F183 HydrophobicContact CG2-CE2 3.85Å; I179-F183 WeakPolarHBondContact O-CB 3.31Å; I179-F183 WeakPolarHBondContact O-CD2 3.32Å; I179-F183 PolarHBondContact O-N 3.43Å; F183-G185 PolarHBondContact O-N 3.37Å; F183-F186 PolarHBondContact O-N 3.41Å; F183-G187 PolarHBondContact O-N 3.06Å; F183-V189 HydrophobicContact CB-CG2 4.17Å; F183-I209 HydrophobicContact CB-CD1 3.98Å; F183-I209 HydrophobicContact CD1-CD1 4.02Å; F183-I209 HydrophobicContact CD2-CD1 3.13Å; F183-I209 HydrophobicContact CE1-CD1 4.32Å; F183-I209 HydrophobicContact CE2-CD1 3.5Å; F183-I209 HydrophobicContact CG-CD1 3.42Å; F183-I209 VanDerWaalsContact CG-CD1 3.42Å; F183-I209 HydrophobicContact CZ-CD1 4.09Å; F183-F211 HydrophobicContact CB-CE1 4.44Å; F183-F211 HydrophobicContact CB-CZ 4.03Å; F183-F211 HydrophobicContact CD1-CZ 4.18Å; F183-F211 HydrophobicContact CG-CZ 4.48Å; F183-I220 HydrophobicContact CD1-CD1 3.76Å; F183-I220 HydrophobicContact CE1-CD1 4.16Å; F183-I220 HydrophobicContact CE1-CG2 4.18Å; F183-V228 HydrophobicContact CE2-CG2 3.9Å; F183-V228 HydrophobicContact CZ-CG2 4.21Å; F183-I235 HydrophobicContact CE1-CD1 3.53Å; F183-I235 HydrophobicContact CZ-CD1 3.66Å
184G82.9Confident83.6Confident37 Ų3767.1 Ų67.138%0.38135%0.348SS..Hα-helixtrans-61.7-29.8171.700000112.9R180 F186 G187R180-G184 WeakPolarHBondContact O-CA 3.18Å; R180-G184 PolarHBondContact O-N 2.89Å; G184-F186 PolarHBondContact O-N 3.35Å; G184-G187 WeakPolarHBondContact CA-O 3.28Å; G184-G187 PolarHBondContact O-N 3.43Å
185G83.1Confident83.7Confident71 Ų7168.7 Ų68.773%0.73236%0.359SS*.THydrogen-bonded Turntrans-67.3-21.5172.500000114.3E181 Y182 F183E181-G185 PolarHBondContact O-N 2.8Å; Y182-G185 PolarHBondContact O-N 2.79Å; F183-G185 PolarHBondContact O-N 3.37Å
186F81.4Confident83.5Confident54 Ų5472 Ų7224%0.23737%0.372CS..THydrogen-bonded Turntrans-92.6-25.5177-64.9-88.1000112.6Y182 F183 G184 P216 I220Y182-F186 AromaticContact CD1-CE2 3.94Å; Y182-F186 HydrophobicContact CD1-CE2 3.94Å; Y182-F186 HydrophobicContact CE1-CD2 4.4Å; Y182-F186 AromaticContact CE1-CE2 3.51Å; Y182-F186 HydrophobicContact CE1-CE2 3.51Å; Y182-F186 HydrophobicContact CE1-CZ 4.17Å; Y182-F186 HydrophobicContact CE2-CE2 4.39Å; Y182-F186 AromaticContact CZ-CE2 3.77Å; Y182-F186 WeakPolarHBondContact O-CD2 3.47Å; Y182-F186 WeakPolarHBondContact O-CE2 3.49Å; F183-F186 PolarHBondContact O-N 3.41Å; G184-F186 PolarHBondContact O-N 3.35Å; F186-P216 HydrophobicContact CB-CB 4.46Å; F186-P216 WeakPolarHBondContact O-CB 3.42Å; F186-I220 HydrophobicContact CB-CD1 3.93Å; F186-I220 HydrophobicContact CB-CG1 4Å; F186-I220 HydrophobicContact CD1-CG1 4.12Å; F186-I220 HydrophobicContact CD2-CG1 4.48Å; F186-I220 HydrophobicContact CG-CD1 4.29Å; F186-I220 HydrophobicContact CG-CG1 3.94Å
187G83.2Confident83.1Confident19 Ų1970.4 Ų70.420%0.19637%0.366CS..SBendtrans169.9177.3172.200000113.5F183 G184 V189F183-G187 PolarHBondContact O-N 3.06Å; G184-G187 WeakPolarHBondContact CA-O 3.28Å; G184-G187 PolarHBondContact O-N 3.43Å; G187-V189 PolarHBondContact O-N 2.84Å
188E85.1Confident82.4Confident120 Ų12070.2 Ų70.256%0.56137%0.37SS*.  trans-72.8113.5-174.3-162.3178.3172.800111.8F211 K212E188-F211 WeakPolarHBondContact O-CA 3.29Å; E188-K212 HydrophobicContact CB-CD 4.41Å; E188-K212 VanDerWaalsContact CD-NZ 3.26Å; E188-K212 HydrophobicContact CG-CD 4.06Å; E188-K212 PolarHBondContact O-N 2.85Å; E188-K212 VanDerWaalsContact OE1-CE 3.28Å; E188-K212 WeakPolarHBondContact OE1-CE 3.48Å; E188-K212 IonicContact OE1-NZ 2.59Å; E188-K212 PolarHBondContact OE1-NZ 2.83Å; E188-K212 WeakPolarHBondContact OE2-CD 3.39Å; E188-K212 IonicContact OE2-NZ 3.44Å; E188-K212 PolarHBondContact OE2-NZ 3.18Å
189V87Confident81.7Confident15 Ų1574 Ų749%0.09139%0.387CS..EExtended strand (participates in β ladder)trans-80.1122.7177.1179.30000109.6F183 G187 I192 I209 F211F183-V189 HydrophobicContact CB-CG2 4.17Å; G187-V189 PolarHBondContact O-N 2.84Å; V189-I192 HydrophobicContact CG1-CD1 4.02Å; V189-I192 HydrophobicContact CG1-CG1 3.53Å; V189-I209 HydrophobicContact CB-CG2 4.4Å; V189-I209 HydrophobicContact CG1-CG2 3.62Å; V189-I209 HydrophobicContact CG2-CG2 3.97Å; V189-F211 HydrophobicContact CG2-CD1 4.03Å; V189-F211 HydrophobicContact CG2-CE1 3.6Å; V189-F211 HydrophobicContact CG2-CZ 4.25Å
190E85.3Confident81.1Confident122 Ų12277.7 Ų77.757%0.5741%0.409SS*.EExtended strand (participates in β ladder)trans-82.5-47.6176-172.3-178.9-177.100111.6T210 K212E190-T210 WeakPolarHBondContact CA-O 3.37Å; E190-T210 WeakPolarHBondContact CB-O 3.17Å; E190-T210 PolarHBondContact N-O 2.93Å; E190-K212 HydrophobicContact CB-CG 3.96Å; E190-K212 HydrophobicContact CG-CG 4.42Å
191S81.6Confident80.2Confident46 Ų4676.9 Ų76.932%0.32242%0.416SS..EExtended strand (participates in β ladder)trans-151.7147.417958.90000112.6I209 T210S191-I209 WeakPolarHBondContact O-CA 3.17Å; S191-T210 PolarHBondContact N-O 3.15Å; S191-T210 VanDerWaalsContact N-O 3.15Å; S191-T210 PolarHBondContact O-N 3Å; S191-T210 VanDerWaalsContact OG-CB 3.23Å; S191-T210 WeakPolarHBondContact OG-CB 3.45Å; S191-T210 PolarHBondContact OG-OG1 2.72Å; S191-T210 VanDerWaalsContact OG-OG1 3.06Å
192I84.3Confident79.4Confident22 Ų2276.5 Ų76.511%0.11341%0.412CS..EExtended strand (participates in β ladder)trans-121.6122.6172.7-51.1176.2000108E176 I179 R180 V189 L194 C207 F208 I209E176-I192 HydrophobicContact CG-CB 4.03Å; E176-I192 HydrophobicContact CG-CD1 3.78Å; E176-I192 HydrophobicContact CG-CG1 4.46Å; E176-I192 HydrophobicContact CG-CG2 4.08Å; I179-I192 HydrophobicContact CG2-CD1 4.32Å; I179-I192 HydrophobicContact CG2-CG2 4.42Å; R180-I192 HydrophobicContact CB-CD1 3.6Å; R180-I192 HydrophobicContact CG-CD1 4.07Å; V189-I192 HydrophobicContact CG1-CD1 4.02Å; V189-I192 HydrophobicContact CG1-CG1 3.53Å; I192-L194 HydrophobicContact CB-CD1 4.33Å; I192-L194 HydrophobicContact CG2-CD1 3.49Å; I192-L194 VanDerWaalsContact CG2-CD1 3.49Å; I192-L194 HydrophobicContact CG2-CG 4.39Å; I192-C207 HydrophobicContact CG2-CB 4.39Å; I192-F208 CarbonylContact C-O 3.58Å; I192-F208 WeakPolarHBondContact CA-O 3.33Å; I192-I209 HydrophobicContact CG1-CG1 4.43Å; I192-I209 HydrophobicContact CG1-CG2 4.41Å; I192-I209 HydrophobicContact CG2-CG1 4.17Å
193E82.9Confident78.7Confident90 Ų9077.4 Ų77.442%0.42142%0.415SS..EExtended strand (participates in β ladder)trans-107.8122.6174.4-68.6168-136.200108.9K164 P195 C207 F208K164-E193 IonicContact NZ-OE1 2.94Å; K164-E193 PolarHBondContact NZ-OE1 3.48Å; K164-E193 IonicContact NZ-OE2 2.76Å; K164-E193 PolarHBondContact NZ-OE2 2.74Å; E193-P195 VanDerWaalsContact O-CD 3.3Å; E193-P195 WeakPolarHBondContact O-CD 3.22Å; E193-C207 CarbonylContact O-C 3.43Å; E193-C207 WeakPolarHBondContact O-CA 3.38Å; E193-C207 WeakPolarHBondContact O-CB 3.39Å; E193-F208 HydrophobicContact CB-CB 4.28Å; E193-F208 PolarHBondContact N-O 3.14Å; E193-F208 PolarHBondContact O-N 3.19Å
194L82.9Confident77.9Confident37 Ų3784.7 Ų84.719%0.19444%0.442CS..  trans-113.988.4174.5-67.189.4000109.8E176 I179 I192 M196 C207E176-L194 HydrophobicContact CB-CD1 3.9Å; E176-L194 HydrophobicContact CG-CD1 3.9Å; I179-L194 HydrophobicContact CD1-CD2 4.05Å; I192-L194 HydrophobicContact CB-CD1 4.33Å; I192-L194 HydrophobicContact CG2-CD1 3.49Å; I192-L194 VanDerWaalsContact CG2-CD1 3.49Å; I192-L194 HydrophobicContact CG2-CG 4.39Å; L194-M196 PolarHBondContact O-N 3.26Å; L194-M196 VanDerWaalsContact O-N 3.15Å; L194-C207 HydrophobicContact CD2-CB 4.48Å; L194-C207 HydrophobicContact CG-CB 3.83Å
195P78.9Confident77.6Confident45 Ų4583.8 Ų83.829%0.29243%0.433SS..PPolyproline II helixtrans-60.3120.4175.8-27.438.6000111.5E193 R204 F206 F208E193-P195 VanDerWaalsContact O-CD 3.3Å; E193-P195 WeakPolarHBondContact O-CD 3.22Å; P195-R204 WeakPolarHBondContact O-CB 3.34Å; P195-R204 PolarHBondContact O-N 3.16Å; P195-F206 HydrophobicContact CB-CE2 3.93Å; P195-F206 HydrophobicContact CB-CZ 4.29Å; P195-F206 HydrophobicContact CG-CE2 3.83Å; P195-F208 HydrophobicContact CG-CD2 4.08Å; P195-F208 HydrophobicContact CG-CE2 4.02Å
196M78.2Confident77.7Confident107 Ų10782.4 Ų82.453%0.52741%0.407SS..BIsolated β-bridgetrans-87.9148.3172.3-56.9-173.2-170.800109.8L194 N198 R203L194-M196 PolarHBondContact O-N 3.26Å; L194-M196 VanDerWaalsContact O-N 3.15Å; M196-N198 PolarHBondContact O-N 2.78Å; M196-R203 HydrophobicContact CG-CG 4.45Å
197D75.4Confident77.9Confident49 Ų4979.8 Ų79.826%0.26240%0.396SS..PPolyproline II helixtrans-73.7119.3175.1-176.417.9000109.6K199 T200 N201 K202 R204D197-K199 PolarHBondContact O-N 3.27Å; D197-K199 VanDerWaalsContact O-N 3.11Å; D197-K199 PolarHBondContact OD1-N 3.32Å; D197-T200 WeakPolarHBondContact CB-OG1 3.5Å; D197-T200 PolarHBondContact O-N 2.95Å; D197-T200 PolarHBondContact OD2-OG1 2.79Å; D197-N201 VanDerWaalsContact O-CA 3.32Å; D197-N201 WeakPolarHBondContact O-CA 3.38Å; D197-N201 PolarHBondContact O-N 2.8Å; D197-K202 WeakPolarHBondContact CB-O 3.5Å; D197-K202 PolarHBondContact N-O 2.65Å; D197-R204 HydrophobicContact CB-CG 3.76Å
198N70.5Confident78.1Confident152 Ų15281.1 Ų81.181%0.81340%0.396SS*.THydrogen-bonded Turntrans-66.3-14.4-176.9-163.334000113.1M196M196-N198 PolarHBondContact O-N 2.78Å
199K69.9Low78.1Confident192 Ų19275.4 Ų75.484%0.83537%0.369SS*.THydrogen-bonded Turntrans-92.5-30.8-179.7-64.3-176-179.8-177.60113.7D197D197-K199 PolarHBondContact O-N 3.27Å; D197-K199 VanDerWaalsContact O-N 3.11Å; D197-K199 PolarHBondContact OD1-N 3.32Å
200T70.7Confident78.1Confident78 Ų7875.7 Ų75.748%0.47937%0.371SS..THydrogen-bonded Turntrans-120-6.2-172.5590000113D197 K202D197-T200 WeakPolarHBondContact CB-OG1 3.5Å; D197-T200 PolarHBondContact O-N 2.95Å; D197-T200 PolarHBondContact OD2-OG1 2.79Å; T200-K202 PolarHBondContact O-N 3.1Å
201N65.9Low78.2Confident131 Ų13169.9 Ų69.970%0.70134%0.344SS*.  trans49.618.4-168.9-91.3-56.1000113.5D197D197-N201 VanDerWaalsContact O-CA 3.32Å; D197-N201 WeakPolarHBondContact O-CA 3.38Å; D197-N201 PolarHBondContact O-N 2.8Å
202K70.6Confident78.3Confident148 Ų14872 Ų7264%0.64335%0.348SS*.  trans-90.7140.8174.5-67.5-178.7-178.9-174.70108.3D197 T200 R204D197-K202 WeakPolarHBondContact CB-O 3.5Å; D197-K202 PolarHBondContact N-O 2.65Å; T200-K202 PolarHBondContact O-N 3.1Å; K202-R204 PolarHBondContact O-N 2.98Å
203R69.1Low78.1Confident91 Ų9176.7 Ų76.734%0.34337%0.369SS..BIsolated β-bridgetrans-60135.2175.2-60.1-170-178.4142-11.3108.9P172 T174 M196 G205P172-R203 HydrophobicContact CB-CB 4.18Å; P172-R203 VanDerWaalsContact O-CD 3.31Å; P172-R203 WeakPolarHBondContact O-CD 3.34Å; P172-R203 PolarHBondContact O-NH1 2.94Å; T174-R203 PolarHBondContact O-NH1 3.35Å; M196-R203 HydrophobicContact CG-CG 4.45Å; R203-G205 PolarHBondContact O-N 3.07Å
204R67.4Low78Confident152 Ų15277.5 Ų77.557%0.57437%0.373SS*.  trans-72.116.2-174.8-70.4-17070.3177-1.1115P195 D197 K202 F206P195-R204 WeakPolarHBondContact O-CB 3.34Å; P195-R204 PolarHBondContact O-N 3.16Å; D197-R204 HydrophobicContact CB-CG 3.76Å; K202-R204 PolarHBondContact O-N 2.98Å; R204-F206 HydrophobicContact CB-CD1 3.61Å; R204-F206 HydrophobicContact CB-CE1 3.23Å; R204-F206 HydrophobicContact CB-CG 4.41Å; R204-F206 HydrophobicContact CB-CZ 3.74Å; R204-F206 HydrophobicContact CG-CE1 4.1Å; R204-F206 HydrophobicContact CG-CZ 4.35Å; R204-F206 WeakPolarHBondContact O-CD1 3.16Å; R204-F206 PolarHBondContact O-N 3.21Å; R204-F206 VanDerWaalsContact O-N 3.12Å
205G77Confident78Confident19 Ų1980.6 Ų80.620%0.19639%0.386CS..SBendtrans59.221.7-178.300000114.1G169 L170 R203G169-G205 PolarHBondContact N-O 2.76Å; L170-G205 PolarHBondContact N-O 2.87Å; L170-G205 CarbonylContact O-C 3.54Å; L170-G205 WeakPolarHBondContact O-CA 3.27Å; R203-G205 PolarHBondContact O-N 3.07Å
206F84.3Confident78.1Confident41 Ų4178.7 Ų78.718%0.1837%0.374CS..EExtended strand (participates in β ladder)trans-144.4154172.365-102.7000110.8F166 V167 P195 R204 F208F166-F206 HydrophobicContact CD2-CB 4.47Å; F166-F206 HydrophobicContact CD2-CD2 4.31Å; F166-F206 HydrophobicContact CE2-CB 3.55Å; F166-F206 HydrophobicContact CE2-CD1 4.28Å; F166-F206 AromaticContact CE2-CD2 3.6Å; F166-F206 HydrophobicContact CE2-CD2 3.6Å; F166-F206 HydrophobicContact CE2-CE2 4.35Å; F166-F206 AromaticContact CE2-CG 3.58Å; F166-F206 HydrophobicContact CE2-CG 3.58Å; F166-F206 HydrophobicContact CZ-CB 3.65Å; F166-F206 HydrophobicContact CZ-CD1 4.48Å; F166-F206 HydrophobicContact CZ-CD2 4.47Å; F166-F206 HydrophobicContact CZ-CG 4Å; V167-F206 CarbonylContact O-C 3.46Å; V167-F206 WeakPolarHBondContact O-CA 3.5Å; V167-F206 WeakPolarHBondContact O-CB 3.27Å; P195-F206 HydrophobicContact CB-CE2 3.93Å; P195-F206 HydrophobicContact CB-CZ 4.29Å; P195-F206 HydrophobicContact CG-CE2 3.83Å; R204-F206 HydrophobicContact CB-CD1 3.61Å; R204-F206 HydrophobicContact CB-CE1 3.23Å; R204-F206 HydrophobicContact CB-CG 4.41Å; R204-F206 HydrophobicContact CB-CZ 3.74Å; R204-F206 HydrophobicContact CG-CE1 4.1Å; R204-F206 HydrophobicContact CG-CZ 4.35Å; R204-F206 WeakPolarHBondContact O-CD1 3.16Å; R204-F206 PolarHBondContact O-N 3.21Å; R204-F206 VanDerWaalsContact O-N 3.12Å; F206-F208 HydrophobicContact CD2-CE2 4.05Å; F206-F208 AromaticContact CE2-CE2 3.77Å; F206-F208 HydrophobicContact CE2-CE2 3.77Å; F206-F208 HydrophobicContact CE2-CZ 4.39Å
207C85.1Confident78.2Confident0 Ų073.9 Ų73.90%035%0.35CS..EExtended strand (participates in β ladder)trans-133.8163.3170.675.50000110.7V167 L170 I192 E193 L194V167-C207 PolarHBondContact N-O 3.04Å; V167-C207 PolarHBondContact O-N 2.86Å; L170-C207 HydrophobicContact CD1-CB 3.84Å; L170-C207 WeakPolarHBondContact CD1-SG 3.49Å; I192-C207 HydrophobicContact CG2-CB 4.39Å; E193-C207 CarbonylContact O-C 3.43Å; E193-C207 WeakPolarHBondContact O-CA 3.38Å; E193-C207 WeakPolarHBondContact O-CB 3.39Å; L194-C207 HydrophobicContact CD2-CB 4.48Å; L194-C207 HydrophobicContact CG-CB 3.83Å
208F87.6Confident78.5Confident46 Ų4678.7 Ų78.720%0.20237%0.369CS..EExtended strand (participates in β ladder)trans-113136.6166.1-60.5-90.3000109.3K164 I165 F166 I192 E193 P195 F206 A238K164-F208 HydrophobicContact CD-CB 4.41Å; K164-F208 HydrophobicContact CG-CB 4.31Å; I165-F208 CarbonylContact O-C 3.55Å; I165-F208 VanDerWaalsContact O-CA 3.27Å; I165-F208 WeakPolarHBondContact O-CA 3.4Å; F166-F208 HydrophobicContact CB-CD1 4.12Å; F166-F208 HydrophobicContact CB-CE1 4.03Å; F166-F208 HydrophobicContact CD2-CD1 4.12Å; F166-F208 AromaticContact CD2-CE1 3.58Å; F166-F208 HydrophobicContact CD2-CE1 3.58Å; F166-F208 HydrophobicContact CD2-CE2 4.47Å; F166-F208 AromaticContact CD2-CZ 3.77Å; F166-F208 HydrophobicContact CD2-CZ 3.77Å; F166-F208 HydrophobicContact CE2-CZ 4.35Å; F166-F208 HydrophobicContact CG-CE1 4.28Å; I192-F208 CarbonylContact C-O 3.58Å; I192-F208 WeakPolarHBondContact CA-O 3.33Å; E193-F208 HydrophobicContact CB-CB 4.28Å; E193-F208 PolarHBondContact N-O 3.14Å; E193-F208 PolarHBondContact O-N 3.19Å; P195-F208 HydrophobicContact CG-CD2 4.08Å; P195-F208 HydrophobicContact CG-CE2 4.02Å; F206-F208 HydrophobicContact CD2-CE2 4.05Å; F206-F208 AromaticContact CE2-CE2 3.77Å; F206-F208 HydrophobicContact CE2-CE2 3.77Å; F206-F208 HydrophobicContact CE2-CZ 4.39Å; F208-A238 HydrophobicContact CD1-CB 3.86Å; F208-A238 HydrophobicContact CE1-CB 4.18Å
209I86.6Confident79Confident0 Ų076.7 Ų76.70%035%0.353CS..EExtended strand (participates in β ladder)trans-122.5125178.7-55.4175.9000107.3K164 I165 V167 I179 F183 V189 S191 I192 F211K164-I209 CarbonylContact C-O 3.58Å; K164-I209 VanDerWaalsContact CA-O 3.27Å; K164-I209 WeakPolarHBondContact CA-O 3.48Å; I165-I209 HydrophobicContact CD1-CB 4.22Å; I165-I209 HydrophobicContact CD1-CD1 4.3Å; I165-I209 HydrophobicContact CG1-CB 3.74Å; I165-I209 HydrophobicContact CG1-CG1 4.47Å; I165-I209 PolarHBondContact N-O 3.47Å; I165-I209 PolarHBondContact O-N 3.18Å; V167-I209 HydrophobicContact CG2-CD1 3.79Å; V167-I209 HydrophobicContact CG2-CG1 4.25Å; I179-I209 HydrophobicContact CG2-CD1 3.54Å; I179-I209 HydrophobicContact CG2-CG1 4.27Å; F183-I209 HydrophobicContact CB-CD1 3.98Å; F183-I209 HydrophobicContact CD1-CD1 4.02Å; F183-I209 HydrophobicContact CD2-CD1 3.13Å; F183-I209 HydrophobicContact CE1-CD1 4.32Å; F183-I209 HydrophobicContact CE2-CD1 3.5Å; F183-I209 HydrophobicContact CG-CD1 3.42Å; F183-I209 VanDerWaalsContact CG-CD1 3.42Å; F183-I209 HydrophobicContact CZ-CD1 4.09Å; V189-I209 HydrophobicContact CB-CG2 4.4Å; V189-I209 HydrophobicContact CG1-CG2 3.62Å; V189-I209 HydrophobicContact CG2-CG2 3.97Å; S191-I209 WeakPolarHBondContact O-CA 3.17Å; I192-I209 HydrophobicContact CG1-CG1 4.43Å; I192-I209 HydrophobicContact CG1-CG2 4.41Å; I192-I209 HydrophobicContact CG2-CG1 4.17Å; I209-F211 HydrophobicContact CB-CE2 4.3Å; I209-F211 HydrophobicContact CG2-CD2 4.14Å; I209-F211 HydrophobicContact CG2-CE1 4.43Å; I209-F211 HydrophobicContact CG2-CE2 3.71Å; I209-F211 HydrophobicContact CG2-CZ 3.87Å
210T86.2Confident79.5Confident22 Ų2267.6 Ų67.614%0.13531%0.313CS..EExtended strand (participates in β ladder)trans-101.1123.3171.9-45.30000108K163 E190 S191K163-T210 HydrophobicContact CB-CG2 4.44Å; K163-T210 CarbonylContact O-C 3.56Å; K163-T210 WeakPolarHBondContact O-CA 3.38Å; E190-T210 WeakPolarHBondContact CA-O 3.37Å; E190-T210 WeakPolarHBondContact CB-O 3.17Å; E190-T210 PolarHBondContact N-O 2.93Å; S191-T210 PolarHBondContact N-O 3.15Å; S191-T210 VanDerWaalsContact N-O 3.15Å; S191-T210 PolarHBondContact O-N 3Å; S191-T210 VanDerWaalsContact OG-CB 3.23Å; S191-T210 WeakPolarHBondContact OG-CB 3.45Å; S191-T210 PolarHBondContact OG-OG1 2.72Å; S191-T210 VanDerWaalsContact OG-OG1 3.06Å
211F86.8Confident79.9Confident0 Ų067 Ų670%031%0.306CS..EExtended strand (participates in β ladder)trans-96.9153.1173.2-69.8-86.4000110.6K163 I165 F183 E188 V189 I209 E213 P216 V217 I220K163-F211 WeakPolarHBondContact CB-O 3.46Å; K163-F211 PolarHBondContact O-N 3.44Å; I165-F211 HydrophobicContact CD1-CE2 3.59Å; I165-F211 HydrophobicContact CD1-CZ 4.29Å; I165-F211 HydrophobicContact CG1-CD2 4.46Å; I165-F211 HydrophobicContact CG1-CE2 3.83Å; F183-F211 HydrophobicContact CB-CE1 4.44Å; F183-F211 HydrophobicContact CB-CZ 4.03Å; F183-F211 HydrophobicContact CD1-CZ 4.18Å; F183-F211 HydrophobicContact CG-CZ 4.48Å; E188-F211 WeakPolarHBondContact O-CA 3.29Å; V189-F211 HydrophobicContact CG2-CD1 4.03Å; V189-F211 HydrophobicContact CG2-CE1 3.6Å; V189-F211 HydrophobicContact CG2-CZ 4.25Å; I209-F211 HydrophobicContact CB-CE2 4.3Å; I209-F211 HydrophobicContact CG2-CD2 4.14Å; I209-F211 HydrophobicContact CG2-CE1 4.43Å; I209-F211 HydrophobicContact CG2-CE2 3.71Å; I209-F211 HydrophobicContact CG2-CZ 3.87Å; F211-E213 VanDerWaalsContact C-N 3.32Å; F211-E213 VanDerWaalsContact CB-O 3.25Å; F211-E213 WeakPolarHBondContact CB-O 3.31Å; F211-P216 HydrophobicContact CD1-CB 3.72Å; F211-P216 HydrophobicContact CD1-CG 4.01Å; F211-P216 HydrophobicContact CE1-CB 3.85Å; F211-P216 HydrophobicContact CG-CB 4.07Å; F211-P216 HydrophobicContact CG-CG 4.38Å; F211-P216 HydrophobicContact CZ-CB 4.29Å; F211-V217 HydrophobicContact CB-CG2 4.4Å; F211-V217 HydrophobicContact CD2-CG2 3.64Å; F211-V217 HydrophobicContact CE2-CG2 4.3Å; F211-V217 HydrophobicContact CG-CG2 4.31Å; F211-I220 HydrophobicContact CE1-CD1 4.33Å; F211-I220 HydrophobicContact CE2-CD1 3.74Å; F211-I220 HydrophobicContact CZ-CD1 3.43Å; F211-I220 VanDerWaalsContact CZ-CD1 3.43Å
212K83.6Confident80.6Confident90 Ų9068.7 Ų68.739%0.39131%0.31SS..SBendtrans-66.3-39.6170.9-67.7-170.4-179.9176.10111.8K163 E188 E190K163-K212 PolarHBondContact NZ-O 3.04Å; E188-K212 HydrophobicContact CB-CD 4.41Å; E188-K212 VanDerWaalsContact CD-NZ 3.26Å; E188-K212 HydrophobicContact CG-CD 4.06Å; E188-K212 PolarHBondContact O-N 2.85Å; E188-K212 VanDerWaalsContact OE1-CE 3.28Å; E188-K212 WeakPolarHBondContact OE1-CE 3.48Å; E188-K212 IonicContact OE1-NZ 2.59Å; E188-K212 PolarHBondContact OE1-NZ 2.83Å; E188-K212 WeakPolarHBondContact OE2-CD 3.39Å; E188-K212 IonicContact OE2-NZ 3.44Å; E188-K212 PolarHBondContact OE2-NZ 3.18Å; E190-K212 HydrophobicContact CB-CG 3.96Å; E190-K212 HydrophobicContact CG-CG 4.42Å
213E80.8Confident80.9Confident120 Ų12067.3 Ų67.356%0.56130%0.304SS*.SBendtrans-108.2156.4-176.3-64.3-59.1151.200112.3F211 P216F211-E213 VanDerWaalsContact C-N 3.32Å; F211-E213 VanDerWaalsContact CB-O 3.25Å; F211-E213 WeakPolarHBondContact CB-O 3.31Å; E213-P216 HydrophobicContact CB-CG 4.32Å; E213-P216 WeakPolarHBondContact O-CD 3.3Å
214E80.9Confident81Confident107 Ų10771 Ų7150%0.532%0.322SS..SBendtrans-87.7-21.7175.764.2173.3158.600113.8P161 P216 V217 K218P161-E214 HydrophobicContact CB-CB 4.12Å; P161-E214 WeakPolarHBondContact CB-OE2 3.26Å; E214-P216 VanDerWaalsContact C-CD 3.43Å; E214-V217 WeakPolarHBondContact O-CB 3.33Å; E214-V217 PolarHBondContact O-N 2.85Å; E214-V217 VanDerWaalsContact O-N 3.09Å; E214-K218 PolarHBondContact O-N 3.21Å; E214-K218 VanDerWaalsContact O-N 3.14Å
215E82Confident81.5Confident103 Ų10370 Ų7048%0.48132%0.319SS..Hα-helixtrans-53-45.5177.3-78.1-69.8142.100113.6V217 K218 K219E215-V217 VanDerWaalsContact C-N 3.3Å; E215-V217 PolarHBondContact O-N 2.86Å; E215-K218 PolarHBondContact O-N 3.09Å; E215-K219 WeakPolarHBondContact O-CG 3.33Å; E215-K219 PolarHBondContact O-N 2.92Å
216P81.5Confident81.6Confident5 Ų569.1 Ų69.13%0.03231%0.31CS..Hα-helixtrans-61.7-40.5177.1-21.735.7000111.3F186 F211 E213 E214 K218 K219 I220F186-P216 HydrophobicContact CB-CB 4.46Å; F186-P216 WeakPolarHBondContact O-CB 3.42Å; F211-P216 HydrophobicContact CD1-CB 3.72Å; F211-P216 HydrophobicContact CD1-CG 4.01Å; F211-P216 HydrophobicContact CE1-CB 3.85Å; F211-P216 HydrophobicContact CG-CB 4.07Å; F211-P216 HydrophobicContact CG-CG 4.38Å; F211-P216 HydrophobicContact CZ-CB 4.29Å; E213-P216 HydrophobicContact CB-CG 4.32Å; E213-P216 WeakPolarHBondContact O-CD 3.3Å; E214-P216 VanDerWaalsContact C-CD 3.43Å; P216-K218 VanDerWaalsContact C-N 3.34Å; P216-K218 PolarHBondContact O-N 3.3Å; P216-K219 PolarHBondContact O-N 2.79Å; P216-I220 HydrophobicContact CB-CD1 4.39Å; P216-I220 VanDerWaalsContact O-CB 3.28Å; P216-I220 WeakPolarHBondContact O-CB 3.35Å; P216-I220 VanDerWaalsContact O-CD1 3.28Å; P216-I220 WeakPolarHBondContact O-CD1 3.33Å; P216-I220 WeakPolarHBondContact O-CG1 3.46Å; P216-I220 PolarHBondContact O-N 2.84Å
217V80.8Confident81.3Confident5 Ų572.2 Ų72.23%0.0333%0.329CS..Hα-helixtrans-62.3-43.7-178.4176.90000111.1V162 I165 F211 E214 E215 I220 M221V162-V217 HydrophobicContact CG2-CG1 4.46Å; V162-V217 WeakPolarHBondContact O-CG1 3.23Å; V162-V217 WeakPolarHBondContact O-CG2 3.44Å; I165-V217 HydrophobicContact CG2-CB 4.03Å; I165-V217 HydrophobicContact CG2-CG1 3.41Å; I165-V217 VanDerWaalsContact CG2-CG1 3.41Å; I165-V217 HydrophobicContact CG2-CG2 3.73Å; F211-V217 HydrophobicContact CB-CG2 4.4Å; F211-V217 HydrophobicContact CD2-CG2 3.64Å; F211-V217 HydrophobicContact CE2-CG2 4.3Å; F211-V217 HydrophobicContact CG-CG2 4.31Å; E214-V217 WeakPolarHBondContact O-CB 3.33Å; E214-V217 PolarHBondContact O-N 2.85Å; E214-V217 VanDerWaalsContact O-N 3.09Å; E215-V217 VanDerWaalsContact C-N 3.3Å; E215-V217 PolarHBondContact O-N 2.86Å; V217-I220 PolarHBondContact O-N 3.4Å; V217-M221 HydrophobicContact CG1-CE 3.4Å; V217-M221 HydrophobicContact CG1-CG 4.43Å; V217-M221 HydrophobicContact CG1-SD 4.02Å; V217-M221 WeakPolarHBondContact O-CB 3.29Å; V217-M221 VanDerWaalsContact O-CG 3.28Å; V217-M221 WeakPolarHBondContact O-CG 3.38Å; V217-M221 PolarHBondContact O-N 3.14Å
218K81Confident80.8Confident150 Ų15072.3 Ų72.365%0.65233%0.329SS*.Hα-helixtrans-63.5-45.9178.3-169177.3178.5-176.40111.9E214 E215 P216 I220 M221 E222E214-K218 PolarHBondContact O-N 3.21Å; E214-K218 VanDerWaalsContact O-N 3.14Å; E215-K218 PolarHBondContact O-N 3.09Å; P216-K218 VanDerWaalsContact C-N 3.34Å; P216-K218 PolarHBondContact O-N 3.3Å; K218-I220 VanDerWaalsContact C-N 3.32Å; K218-I220 PolarHBondContact O-N 2.85Å; K218-M221 PolarHBondContact O-N 3.08Å; K218-E222 PolarHBondContact O-N 3.15Å; K218-E222 VanDerWaalsContact O-N 3.1Å
219K81.3Confident80Confident111 Ų11172.9 Ų72.948%0.48335%0.348SS..Hα-helixtrans-63-38.9176.6-70.2174.9-174.9172.50112.3E215 P216E215-K219 WeakPolarHBondContact O-CG 3.33Å; E215-K219 PolarHBondContact O-N 2.92Å; P216-K219 PolarHBondContact O-N 2.79Å
220I81.6Confident79.1Confident0 Ų081.7 Ų81.70%039%0.394CS..Hα-helixtrans-69.2-38.5177.6-69.1164.9000110.4I165 F183 F186 F211 P216 V217 K218 E222 K223 H226 I235I165-I220 HydrophobicContact CD1-CD1 4.15Å; I165-I220 HydrophobicContact CD1-CG2 4.16Å; F183-I220 HydrophobicContact CD1-CD1 3.76Å; F183-I220 HydrophobicContact CE1-CD1 4.16Å; F183-I220 HydrophobicContact CE1-CG2 4.18Å; F186-I220 HydrophobicContact CB-CD1 3.93Å; F186-I220 HydrophobicContact CB-CG1 4Å; F186-I220 HydrophobicContact CD1-CG1 4.12Å; F186-I220 HydrophobicContact CD2-CG1 4.48Å; F186-I220 HydrophobicContact CG-CD1 4.29Å; F186-I220 HydrophobicContact CG-CG1 3.94Å; F211-I220 HydrophobicContact CE1-CD1 4.33Å; F211-I220 HydrophobicContact CE2-CD1 3.74Å; F211-I220 HydrophobicContact CZ-CD1 3.43Å; F211-I220 VanDerWaalsContact CZ-CD1 3.43Å; P216-I220 HydrophobicContact CB-CD1 4.39Å; P216-I220 VanDerWaalsContact O-CB 3.28Å; P216-I220 WeakPolarHBondContact O-CB 3.35Å; P216-I220 VanDerWaalsContact O-CD1 3.28Å; P216-I220 WeakPolarHBondContact O-CD1 3.33Å; P216-I220 WeakPolarHBondContact O-CG1 3.46Å; P216-I220 PolarHBondContact O-N 2.84Å; V217-I220 PolarHBondContact O-N 3.4Å; K218-I220 VanDerWaalsContact C-N 3.32Å; K218-I220 PolarHBondContact O-N 2.85Å; I220-E222 VanDerWaalsContact C-N 3.34Å; I220-E222 PolarHBondContact O-N 3.02Å; I220-K223 PolarHBondContact O-N 2.9Å; I220-H226 PolarHBondContact O-NE2 3.43Å; I220-I235 HydrophobicContact CG2-CB 4.18Å; I220-I235 HydrophobicContact CG2-CD1 3.16Å; I220-I235 HydrophobicContact CG2-CG1 4.24Å; I220-I235 HydrophobicContact CG2-CG2 3.73Å
221M79.2Confident78.6Confident66 Ų6681.9 Ų81.933%0.32540%0.396SS..Hα-helixtrans-70.2-26.2177.6-77.1-177.8-173.400114.4V162 I165 V217 K218 K223 V237V162-M221 HydrophobicContact CG2-CE 4.3Å; I165-M221 HydrophobicContact CG2-CE 4.18Å; V217-M221 HydrophobicContact CG1-CE 3.4Å; V217-M221 HydrophobicContact CG1-CG 4.43Å; V217-M221 HydrophobicContact CG1-SD 4.02Å; V217-M221 WeakPolarHBondContact O-CB 3.29Å; V217-M221 VanDerWaalsContact O-CG 3.28Å; V217-M221 WeakPolarHBondContact O-CG 3.38Å; V217-M221 PolarHBondContact O-N 3.14Å; K218-M221 PolarHBondContact O-N 3.08Å; M221-K223 PolarHBondContact O-N 3.14Å; M221-V237 VanDerWaalsContact CE-CA 3.43Å; M221-V237 HydrophobicContact CE-CB 3.8Å; M221-V237 HydrophobicContact CE-CG2 3.15Å; M221-V237 HydrophobicContact SD-CG2 3.58Å; M221-V237 VanDerWaalsContact SD-CG2 3.58Å
222E78.9Confident78.4Confident167 Ų16787.8 Ų87.878%0.7842%0.422SS*.Hα-helixtrans-61.7-35.5175-168.4174.5179.400111.4K218 I220K218-E222 PolarHBondContact O-N 3.15Å; K218-E222 VanDerWaalsContact O-N 3.1Å; I220-E222 VanDerWaalsContact C-N 3.34Å; I220-E222 PolarHBondContact O-N 3.02Å
223K76.6Confident78.4Confident118 Ų11883.5 Ų83.551%0.51340%0.403SS..SBendtrans-89.1111.1173-69.6179.1-175.4178.70110.1I220 M221 Y225 H226I220-K223 PolarHBondContact O-N 2.9Å; M221-K223 PolarHBondContact O-N 3.14Å; K223-Y225 PolarHBondContact O-N 3.41Å; K223-Y225 VanDerWaalsContact O-N 3.15Å; K223-H226 WeakPolarHBondContact CB-NE2 3.42Å; K223-H226 PolarHBondContact O-CD2 3.39Å; K223-H226 PolarHBondContact O-NE2 2.72Å
224K71.1Confident78.5Confident169 Ų16981.6 Ų81.674%0.73540%0.395SS*.SBendtrans-59-26.7179.5-74-175.6176.4178.80114.6
225Y78.8Confident78.7Confident130 Ų13077.4 Ų77.451%0.5138%0.376SS..EExtended strand (participates in β ladder)trans-141.8141.8-178.9-59-74.4000110.7K223 K232 C233K223-Y225 PolarHBondContact O-N 3.41Å; K223-Y225 VanDerWaalsContact O-N 3.15Å; Y225-K232 VanDerWaalsContact CB-CE 3.46Å; Y225-K232 HydrophobicContact CD1-CD 4.28Å; Y225-K232 HydrophobicContact CD1-CG 4.21Å; Y225-K232 HydrophobicContact CG-CD 4.36Å; Y225-K232 HydrophobicContact CG-CG 4.41Å; Y225-C233 WeakPolarHBondContact CA-O 3.28Å
226H79.9Confident78.7Confident2 Ų277.7 Ų77.71%0.00938%0.375CS..EExtended strand (participates in β ladder)trans-125.8142.3176.9-68.5-102.6000109.3Y182 I220 K223 C233 I235Y182-H226 HydrophobicContact CE1-CB 3.97Å; Y182-H226 AromaticContact CE1-ND1 3.75Å; Y182-H226 AromaticContact CZ-ND1 3.95Å; Y182-H226 PolarHBondContact OH-ND1 3.26Å; I220-H226 PolarHBondContact O-NE2 3.43Å; K223-H226 WeakPolarHBondContact CB-NE2 3.42Å; K223-H226 PolarHBondContact O-CD2 3.39Å; K223-H226 PolarHBondContact O-NE2 2.72Å; H226-C233 PolarHBondContact N-O 3.38Å; H226-C233 WeakPolarHBondContact O-CA 3.45Å; H226-C233 WeakPolarHBondContact O-CB 3.38Å; H226-C233 PolarHBondContact O-N 2.79Å; H226-I235 HydrophobicContact CB-CD1 4.01Å; H226-I235 WeakPolarHBondContact CD2-CD1 3.5Å
227N77.4Confident78.6Confident106 Ų10680.2 Ų80.257%0.56739%0.39SS*.EExtended strand (participates in β ladder)trans-101.5110.9177.8-69.4-10.4000108.2Y182Y182-N227 WeakPolarHBondContact CE2-O 3.35Å
228V74.9Confident78Confident2 Ų280.3 Ų80.31%0.01239%0.391CS..EExtended strand (participates in β ladder)trans-109.9106.4175.5-173.10000107.5L170 T174 I179 Y182 F183 L230 S231 C233L170-V228 HydrophobicContact CD2-CB 3.88Å; L170-V228 HydrophobicContact CD2-CG1 4.03Å; L170-V228 HydrophobicContact CD2-CG2 4.35Å; T174-V228 HydrophobicContact CG2-CG1 4.2Å; I179-V228 HydrophobicContact CG1-CG1 4.13Å; Y182-V228 HydrophobicContact CD1-CG2 3.85Å; Y182-V228 HydrophobicContact CE1-CG2 4.16Å; Y182-V228 HydrophobicContact CG-CG2 4.23Å; F183-V228 HydrophobicContact CE2-CG2 3.9Å; F183-V228 HydrophobicContact CZ-CG2 4.21Å; V228-L230 PolarHBondContact O-N 3.1Å; V228-S231 PolarHBondContact N-O 2.89Å; V228-S231 VanDerWaalsContact N-O 3.1Å; V228-S231 PolarHBondContact O-N 3.06Å; V228-C233 HydrophobicContact CG2-CB 4.45Å
229G71.1Confident77.1Confident58 Ų5876.9 Ų76.960%0.59838%0.379SS*.THydrogen-bonded Turntrans67.4-121.5-172.300000112.3
230L67Low75.9Confident185 Ų18574 Ų7497%0.96937%0.373SS*.THydrogen-bonded Turntrans-96.7-0.3-179.4-67.1168000113.1V228V228-L230 PolarHBondContact O-N 3.1Å
231S75.8Confident74.8Confident25 Ų2582.5 Ų82.518%0.17541%0.41CS..EExtended strand (participates in β ladder)trans-113.6140.3-172.6-56.10000111.9G169 S171 V228G169-S231 WeakPolarHBondContact O-CB 3.37Å; S171-S231 WeakPolarHBondContact CB-OG 3.14Å; S171-S231 PolarHBondContact N-OG 2.78Å; V228-S231 PolarHBondContact N-O 2.89Å; V228-S231 VanDerWaalsContact N-O 3.1Å; V228-S231 PolarHBondContact O-N 3.06Å
232K81.9Confident73.7Confident124 Ų12486.4 Ų86.454%0.53943%0.427SS..EExtended strand (participates in β ladder)trans-84.5113.4172.2-177.4177.3176.6-179.20108.9Y225Y225-K232 VanDerWaalsContact CB-CE 3.46Å; Y225-K232 HydrophobicContact CD1-CD 4.28Å; Y225-K232 HydrophobicContact CD1-CG 4.21Å; Y225-K232 HydrophobicContact CG-CD 4.36Å; Y225-K232 HydrophobicContact CG-CG 4.41Å
233C83.6Confident72.5Confident0 Ų082.5 Ų82.50%041%0.409CS..EExtended strand (participates in β ladder)trans-97.1136.3-178-52.40000111.4V167 G168 L170 Y225 H226 V228V167-C233 HydrophobicContact CG1-CB 3.74Å; G168-C233 CarbonylContact O-C 3.57Å; G168-C233 WeakPolarHBondContact O-CA 3.49Å; G168-C233 WeakPolarHBondContact O-CB 3.5Å; L170-C233 WeakPolarHBondContact CD2-SG 3.37Å; Y225-C233 WeakPolarHBondContact CA-O 3.28Å; H226-C233 PolarHBondContact N-O 3.38Å; H226-C233 WeakPolarHBondContact O-CA 3.45Å; H226-C233 WeakPolarHBondContact O-CB 3.38Å; H226-C233 PolarHBondContact O-N 2.79Å; V228-C233 HydrophobicContact CG2-CB 4.45Å
234E83.4Confident71.7Confident81 Ų8183.1 Ų83.138%0.37941%0.409SS..EExtended strand (participates in β ladder)trans-95.9132.3170.2-176.2-175.4161.300108.9V167 G168 K236V167-E234 CarbonylContact C-O 3.55Å; V167-E234 WeakPolarHBondContact CA-O 3.41Å; G168-E234 PolarHBondContact N-O 2.73Å; G168-E234 PolarHBondContact O-N 2.87Å; E234-K236 HydrophobicContact CG-CG 4.31Å; E234-K236 WeakPolarHBondContact OE1-CD 3.11Å; E234-K236 WeakPolarHBondContact OE1-CE 3.31Å; E234-K236 IonicContact OE1-NZ 2.73Å; E234-K236 PolarHBondContact OE1-NZ 2.99Å
235I84.9Confident71Confident19 Ų1981.2 Ų81.210%0.09740%0.403CS..EExtended strand (participates in β ladder)trans-113.3128.3179.7-55.1-177.2000109.7I165 F166 V167 F183 I220 H226I165-I235 HydrophobicContact CB-CG2 4.06Å; I165-I235 HydrophobicContact CD1-CG2 3.97Å; I165-I235 HydrophobicContact CG2-CG2 4.49Å; F166-I235 CarbonylContact O-C 3.54Å; F166-I235 VanDerWaalsContact O-CA 3.31Å; F166-I235 WeakPolarHBondContact O-CA 3.49Å; V167-I235 HydrophobicContact CG1-CG1 4.26Å; V167-I235 HydrophobicContact CG2-CD1 4.36Å; V167-I235 HydrophobicContact CG2-CG1 4.22Å; F183-I235 HydrophobicContact CE1-CD1 3.53Å; F183-I235 HydrophobicContact CZ-CD1 3.66Å; I220-I235 HydrophobicContact CG2-CB 4.18Å; I220-I235 HydrophobicContact CG2-CD1 3.16Å; I220-I235 HydrophobicContact CG2-CG1 4.24Å; I220-I235 HydrophobicContact CG2-CG2 3.73Å; H226-I235 HydrophobicContact CB-CD1 4.01Å; H226-I235 WeakPolarHBondContact CD2-CD1 3.5Å
236K82.6Confident69.9Low108 Ų10880.1 Ų80.147%0.4740%0.402SS..EExtended strand (participates in β ladder)trans-126.2155.2177.5-55-178.8103.1113.90109.2F166 E234 A238F166-K236 HydrophobicContact CB-CB 4.39Å; F166-K236 HydrophobicContact CD1-CB 4.06Å; F166-K236 HydrophobicContact CD1-CD 4.21Å; F166-K236 HydrophobicContact CD1-CG 4.2Å; F166-K236 HydrophobicContact CE1-CD 4.45Å; F166-K236 PolarHBondContact N-O 3.44Å; F166-K236 PolarHBondContact O-N 2.95Å; E234-K236 HydrophobicContact CG-CG 4.31Å; E234-K236 WeakPolarHBondContact OE1-CD 3.11Å; E234-K236 WeakPolarHBondContact OE1-CE 3.31Å; E234-K236 IonicContact OE1-NZ 2.73Å; E234-K236 PolarHBondContact OE1-NZ 2.99Å; K236-A238 PolarHBondContact O-N 3.13Å
237V79.5Confident68.8Low59 Ų5985.5 Ų85.536%0.35843%0.427SS..EExtended strand (participates in β ladder)trans-54.8121.2165.3172.50000107.9V162 M221 M239V162-V237 HydrophobicContact CB-CG1 3.75Å; V162-V237 HydrophobicContact CG1-CG1 3.47Å; V162-V237 VanDerWaalsContact CG1-CG1 3.47Å; V162-V237 HydrophobicContact CG2-CB 4.25Å; V162-V237 HydrophobicContact CG2-CG1 3.44Å; V162-V237 VanDerWaalsContact CG2-CG1 3.44Å; V162-V237 HydrophobicContact CG2-CG2 4.14Å; M221-V237 VanDerWaalsContact CE-CA 3.43Å; M221-V237 HydrophobicContact CE-CB 3.8Å; M221-V237 HydrophobicContact CE-CG2 3.15Å; M221-V237 HydrophobicContact SD-CG2 3.58Å; M221-V237 VanDerWaalsContact SD-CG2 3.58Å; V237-M239 PolarHBondContact O-N 2.94Å
238A67.6Low67.7Low6 Ų685.8 Ų85.85%0.0543%0.425CS..PPolyproline II helixtrans-72.8116.5170.800000107.9K164 F166 F208 K236K164-A238 HydrophobicContact CB-CB 3.89Å; K164-A238 HydrophobicContact CD-CB 4.35Å; K164-A238 HydrophobicContact CG-CB 3.68Å; K164-A238 WeakPolarHBondContact O-CB 3.09Å; K164-A238 PolarHBondContact O-N 3.12Å; K164-A238 VanDerWaalsContact O-N 3.1Å; F166-A238 HydrophobicContact CB-CB 4.32Å; F208-A238 HydrophobicContact CD1-CB 3.86Å; F208-A238 HydrophobicContact CE1-CB 4.18Å; K236-A238 PolarHBondContact O-N 3.13Å
239M61.9Low66.5Low78 Ų7892.5 Ų92.538%0.38446%0.457SS..PPolyproline II helixtrans-76.5142.5167.1-64.6-176.5-69.800108.3V237 Q243 Y244V237-M239 PolarHBondContact O-N 2.94Å; M239-Q243 HydrophobicContact CB-CB 4.15Å; M239-Y244 HydrophobicContact CE-CD2 4.11Å
240S57.1Low65.2Low52 Ų5297.7 Ų97.736%0.36446%0.458SS..PPolyproline II helixtrans-58.2150.5173.472.10000109.8E242 Q243 Y244S240-E242 PolarHBondContact O-N 3.3Å; S240-E242 VanDerWaalsContact O-N 3.09Å; S240-Q243 PolarHBondContact O-N 2.96Å; S240-Q243 PolarHBondContact OG-N 3.31Å; S240-Q243 VanDerWaalsContact OG-N 3.16Å; S240-Y244 PolarHBondContact O-N 3.43Å
241K57.2Low63.9Low178 Ų17892 Ų9277%0.77444%0.444SS*.Hα-helixtrans-53.2-34.5178.4-169.5177-179.7-177.10111.3Q245K241-Q245 WeakPolarHBondContact O-CB 3.47Å; K241-Q245 PolarHBondContact O-N 3.04Å
242E56.9Low62.4Low147 Ų14796 Ų9669%0.68747%0.472SS*.Hα-helixtrans-69-43.3176.1-165.3177.6176.200112.7S240 Q245 Q246S240-E242 PolarHBondContact O-N 3.3Å; S240-E242 VanDerWaalsContact O-N 3.09Å; E242-Q245 PolarHBondContact O-N 3.47Å; E242-Q246 VanDerWaalsContact O-CB 3.29Å; E242-Q246 WeakPolarHBondContact O-CB 3.09Å; E242-Q246 PolarHBondContact O-N 3.4Å
243Q54.4Low60.5Low85 Ų8599.8 Ų99.840%0.39748%0.483SS..Hα-helixtrans-64.3-40.2172.7-91.3179.9-34.600112.6M239 S240 Q246 Q247M239-Q243 HydrophobicContact CB-CB 4.15Å; S240-Q243 PolarHBondContact O-N 2.96Å; S240-Q243 PolarHBondContact OG-N 3.31Å; S240-Q243 VanDerWaalsContact OG-N 3.16Å; Q243-Q246 PolarHBondContact O-N 3.29Å; Q243-Q247 WeakPolarHBondContact O-CB 3.4Å; Q243-Q247 PolarHBondContact O-N 3.24Å
244Y58.5Low58.4Low131 Ų131103 Ų10351%0.51452%0.516SS..Hα-helixtrans-65-41.3177.3-172-105.9000111.4M239 S240 Q247 Q248M239-Y244 HydrophobicContact CE-CD2 4.11Å; S240-Y244 PolarHBondContact O-N 3.43Å; Y244-Q247 PolarHBondContact O-N 3.29Å; Y244-Q248 HydrophobicContact CE1-CG 4.47Å; Y244-Q248 VanDerWaalsContact CZ-NE2 3.34Å; Y244-Q248 WeakPolarHBondContact O-CG 3.48Å; Y244-Q248 PolarHBondContact O-N 3.27Å; Y244-Q248 PolarHBondContact OH-NE2 3.4Å
245Q57.8Low56.1Low129 Ų129102.2 Ų102.260%0.60353%0.53SS*.Hα-helixtrans-69.1-37.1177.6-153.6165.942.100111.8K241 E242 Q249K241-Q245 WeakPolarHBondContact O-CB 3.47Å; K241-Q245 PolarHBondContact O-N 3.04Å; E242-Q245 PolarHBondContact O-N 3.47Å; Q245-Q249 PolarHBondContact O-N 3.25Å; Q245-Q249 VanDerWaalsContact O-N 3.14Å
246Q55.6Low53.9Low107 Ų107111 Ų11150%0.557%0.568SS.*Hα-helixtrans-68.7-40174.1-165.1169.799.400111.8E242 Q243 Q249 W250E242-Q246 VanDerWaalsContact O-CB 3.29Å; E242-Q246 WeakPolarHBondContact O-CB 3.09Å; E242-Q246 PolarHBondContact O-N 3.4Å; Q243-Q246 PolarHBondContact O-N 3.29Å; Q246-Q249 WeakPolarHBondContact O-CA 3.02Å; Q246-Q249 VanDerWaalsContact O-CB 3.23Å; Q246-Q249 WeakPolarHBondContact O-CB 3.32Å; Q246-Q249 PolarHBondContact O-N 3.37Å; Q246-Q249 VanDerWaalsContact O-N 3.08Å; Q246-W250 PolarHBondContact O-N 3.33Å; Q246-W250 VanDerWaalsContact O-N 3.14Å
247Q55.8Low51.7Low115 Ų115110.2 Ų110.254%0.53758%0.581SS.*Hα-helixtrans-67.9-35.5177.4-168.4170.349.800112.7Q243 Y244 Q249 W250 G251Q243-Q247 WeakPolarHBondContact O-CB 3.4Å; Q243-Q247 PolarHBondContact O-N 3.24Å; Y244-Q247 PolarHBondContact O-N 3.29Å; Q247-Q249 VanDerWaalsContact C-N 3.27Å; Q247-Q249 PolarHBondContact O-N 2.88Å; Q247-W250 PolarHBondContact O-N 3Å; Q247-G251 PolarHBondContact O-N 3.35Å
248Q54.2Low49.7Very low113 Ų113109.9 Ų109.953%0.52859%0.59SS.*Hα-helixtrans-65.7-31.8169.2-70.5-149.438.100112.3Y244 W250 G251 S252Y244-Q248 HydrophobicContact CE1-CG 4.47Å; Y244-Q248 VanDerWaalsContact CZ-NE2 3.34Å; Y244-Q248 WeakPolarHBondContact O-CG 3.48Å; Y244-Q248 PolarHBondContact O-N 3.27Å; Y244-Q248 PolarHBondContact OH-NE2 3.4Å; Q248-W250 VanDerWaalsContact C-N 3.28Å; Q248-W250 PolarHBondContact O-N 2.96Å; Q248-G251 PolarHBondContact O-N 3.11Å; Q248-S252 PolarHBondContact O-N 2.83Å
249Q50Low48.4Very low143 Ų143121.5 Ų121.567%0.66863%0.632SS**Hα-helixtrans-67.1-27.1174.2-129.1165.562.400113.1Q245 Q246 Q247Q245-Q249 PolarHBondContact O-N 3.25Å; Q245-Q249 VanDerWaalsContact O-N 3.14Å; Q246-Q249 WeakPolarHBondContact O-CA 3.02Å; Q246-Q249 VanDerWaalsContact O-CB 3.23Å; Q246-Q249 WeakPolarHBondContact O-CB 3.32Å; Q246-Q249 PolarHBondContact O-N 3.37Å; Q246-Q249 VanDerWaalsContact O-N 3.08Å; Q247-Q249 VanDerWaalsContact C-N 3.27Å; Q247-Q249 PolarHBondContact O-N 2.88Å
250W43.3Very low47.2Very low167 Ų167121.9 Ų121.963%0.63365%0.648SS**Hα-helixtrans-87.1-26.6172.1-67.1102.9000113.4Q246 Q247 Q248 S252 R253Q246-W250 PolarHBondContact O-N 3.33Å; Q246-W250 VanDerWaalsContact O-N 3.14Å; Q247-W250 PolarHBondContact O-N 3Å; Q248-W250 VanDerWaalsContact C-N 3.28Å; Q248-W250 PolarHBondContact O-N 2.96Å; W250-S252 VanDerWaalsContact C-N 3.26Å; W250-S252 PolarHBondContact O-N 2.88Å; W250-R253 PolarHBondContact O-N 2.86Å
251G40.6Very low46.2Very low65 Ų65131 Ų13167%0.6768%0.675SS**Hα-helixtrans-66.2-23.7171.900000114.1Q247 Q248Q247-G251 PolarHBondContact O-N 3.35Å; Q248-G251 PolarHBondContact O-N 3.11Å
252S43.4Very low45.3Very low110 Ų110126.1 Ų126.177%0.76968%0.675SS**THydrogen-bonded Turntrans-92.9-2.8173.7-70.30000114.7Q248 W250Q248-S252 PolarHBondContact O-N 2.83Å; W250-S252 VanDerWaalsContact C-N 3.26Å; W250-S252 PolarHBondContact O-N 2.88Å
253R41.8Very low44.3Very low203 Ų203131 Ų13177%0.76669%0.687SS**SBendtrans-1032.7179.4-149.8177-176.6166.22.2114.1W250W250-R253 PolarHBondContact O-N 2.86Å
254G39.1Very low43.2Very low66 Ų66130.5 Ų130.568%0.6871%0.705SS**  trans-95.11.8174.200000114.9F256G254-F256 PolarHBondContact O-N 3.39Å
255G36.8Very low42.1Very low66 Ų66128.5 Ų128.568%0.6872%0.724SS**  trans-77.974.3167.800000110.1A257G255-A257 PolarHBondContact O-N 2.79Å
256F37.1Very low41Very low204 Ų204125.3 Ų125.390%0.89573%0.726SS**  trans-66.273.3160.6-141.8-95.6000106.9G254 G258G254-F256 PolarHBondContact O-N 3.39Å; F256-G258 PolarHBondContact O-N 2.75Å
257A37.3Very low40.4Very low90 Ų90126.8 Ų126.874%0.74474%0.744SS**  trans-61.488.515400000104.5G255 R259G255-A257 PolarHBondContact O-N 2.79Å; A257-R259 PolarHBondContact O-N 2.73Å
258G37.9Very low39.4Very low53 Ų53127 Ų12755%0.54676%0.758SS.*  trans-52.394.4164.500000107.1F256 A260F256-G258 PolarHBondContact O-N 2.75Å; G258-A260 PolarHBondContact O-N 2.89Å
259R39.6Very low38.6Very low249 Ų249129.2 Ų129.294%0.9477%0.769SS**  trans-7164.8145.5-76.1-167.5-178-154.42.2106.6A257 R261A257-R259 PolarHBondContact O-N 2.73Å; R259-R261 PolarHBondContact O-N 2.97Å
260A36.3Very low37.7Very low87 Ų87129.4 Ų129.472%0.71978%0.775SS**  trans-62.997.7155.200000105.4G258 G262G258-A260 PolarHBondContact O-N 2.89Å; A260-G262 PolarHBondContact O-N 3.43Å
261R36.7Very low37Very low243 Ų243130.7 Ų130.792%0.91778%0.779SS**  trans-12113147.5-161.5-178.7-168.6105.5-0.8111.1R259 R263R259-R261 PolarHBondContact O-N 2.97Å; R261-R263 PolarHBondContact O-N 3.23Å
262G38.6Very low36.6Very low75 Ų75134 Ų13477%0.77378%0.782SS**  trans-52.7133.9-178.400000112.7A260A260-G262 PolarHBondContact O-N 3.43Å
263R35.4Very low36.1Very low249 Ų249135.9 Ų135.994%0.9478%0.779SS**  trans-165.8125.1156-157.1177.9-172-133.52.4108.8R261R261-R263 PolarHBondContact O-N 3.23Å
264G32.3Very low35.6Very low76 Ų76128.7 Ų128.778%0.78477%0.768SS**  trans106.298.3158.400000114.5
265G35.2Very low35.1Very low88 Ų88136.7 Ų136.791%0.90778%0.779SS**  trans-69.7156.416300000112.2
266G33.7Very low34.8Very low62 Ų62138.1 Ų138.164%0.63978%0.779SS**  trans177.6119171.900000109.1S268G266-S268 PolarHBondContact O-N 3.39Å; G266-S268 VanDerWaalsContact O-N 3.11Å
267P42.9Very low34.5Very low138 Ų138135 Ų13590%0.89677%0.771SS**  trans-77.798.8-175.929-29.8000109.9
268S35Very low34.1Very low119 Ų119138.7 Ų138.783%0.83277%0.767SS**  trans-88.9116.5175.6176.50000110.3G266G266-S268 PolarHBondContact O-N 3.39Å; G266-S268 VanDerWaalsContact O-N 3.11Å
269Q36.8Very low33.6Very low160 Ų160145.6 Ų145.675%0.74878%0.777SS**  trans-58.8139.9179.6-66.7172-2.700112.6W271Q269-W271 PolarHBondContact O-N 3.11Å
270N32Very low33.1Very low148 Ų148138.3 Ų138.379%0.79176%0.756SS**  trans-69.2107.6172.8-176.743.4000110.4
271W28.7Very low32.8Very low193 Ų193142.4 Ų142.473%0.73176%0.761SS**  trans-12094161.2-8989.2000109.2Q269Q269-W271 PolarHBondContact O-N 3.11Å
272N31.8Very low32.4Very low134 Ų134133.7 Ų133.772%0.71775%0.746SS**  trans-96.8102.1163.2-168.4-58.6000107.5
273Q34.1Very low32.1Very low151 Ų151141.5 Ų141.571%0.70675%0.754SS**  trans-113.5124.8151.5-112.799.267.800104.5
274G29.3Very low31.8Very low52 Ų52133.1 Ų133.154%0.53675%0.745SS.*  cis111.89626.600000107.8
275Y29.3Very low31.6Very low234 Ų234137.3 Ų137.392%0.91875%0.75SS**  trans176.688.7156.8-102.2-75.8000105.8
276S31.5Very low31.3Very low96 Ų96144.3 Ų144.367%0.67175%0.75SS**  40.9128.280.7-99.80000112.7
277N29.3Very low31.1Very low138 Ų138145 Ų14574%0.73876%0.758SS**  cis-160.1172.716.4-83.7-27.7000105.9
278Y29Very low30.5Very low167 Ų167149 Ų14966%0.65576%0.756SS**  cis178.2158.749.5-166.4-130.6000110.7
279W27.4Very low30.2Very low198 Ų198149 Ų14975%0.7575%0.748SS**  trans83.8126.3178-55.9106.8000115.9
280N30.5Very low29.9Very low97 Ų97146 Ų14652%0.51974%0.744SS.*  cis-172.8115.2-5.9-169.1-107.1000103.2
281Q29.5Very low29.9Very low173 Ų173147.2 Ų147.281%0.80875%0.745SS**  85.9123.798.4-152.6154.364.800113.1
282G28.9Very low29.9Very low59 Ų59141.2 Ų141.261%0.60874%0.743SS**  trans161.485.7162.700000115.5
283Y32.4Very low29.8Very low240 Ų240146 Ų14694%0.94175%0.753SS**  trans59.4113.4151.4-65.4-93000117.5
284G28.5Very low29.7Very low73 Ų73142.7 Ų142.775%0.75376%0.758SS**  cis97.890.136.500000110.1
285N27.9Very low29.7Very low164 Ų164143.6 Ų143.688%0.87777%0.768SS**  trans-155.4114.1150.1-154.1-87.8000111.4
286Y29.2Very low29.8Very low234 Ų234144.1 Ų144.192%0.91877%0.77SS**  trans-77141.6170.8-103.1-105.5000109.9
287G29.3Very low29.8Very low78 Ų78143.5 Ų143.580%0.80478%0.779SS**  trans-170.4116.8168.800000114.5
288Y29.9Very low29.8Very low220 Ų220140 Ų14086%0.86378%0.776SS**  trans-74.4144.6-168.7-133.7-120.6000115.2
289N29.2Very low29.8Very low121 Ų121143.1 Ų143.165%0.64779%0.788SS**  39.9122.6129.5-154.6-44.8000120.3
290S31.1Very low29.9Very low96 Ų96140.6 Ų140.667%0.67179%0.789SS**  151.6134.3110.3-160.80000114.3
291Q31.1Very low29.8Very low174 Ų174145.6 Ų145.681%0.81380%0.802SS**  trans23.4135.4148.3-104.365.54.100121.4
292G29.1Very low29.8Very low67 Ų67142 Ų14269%0.69179%0.792SS**  trans147.7109.1131.600000117.2
293Y30.3Very low29.9Very low235 Ų235143 Ų14392%0.92280%0.802SS**  trans48.7111.5139.7-87.4-97.6000121.1
294G30.6Very low29.7Very low80 Ų80141.4 Ų141.483%0.82580%0.796SS**  73.4135.4114.400000119.8
295G29.5Very low29.8Very low71 Ų71144.8 Ų144.873%0.73280%0.797SS**  trans133.5101147.100000116.3
296Y31.2Very low29.8Very low245 Ų245144.4 Ų144.496%0.96180%0.795SS**  trans38132.4139.8-77.1-93.1000121.2
297G31.1Very low29.8Very low84 Ų84143 Ų14387%0.86679%0.789SS**  trans-75.7-177.8-17900000115.5
298G30.7Very low29.8Very low65 Ų65149.5 Ų149.567%0.6779%0.791SS**  trans137.3121.1155.300000115.7
299Y29.3Very low29.8Very low231 Ų231142.7 Ų142.791%0.90679%0.787SS**  trans81.595.3150.5-62.2-83.2000120.2
300D29.7Very low29.8Very low146 Ų146148.4 Ų148.478%0.78180%0.802SS**  16.4116.7111.2-134.2-46.6000117.6
301Y27.3Very low29.7Very low201 Ų201147 Ų14779%0.78880%0.802SS**  -173.3126.4122.1-140.6-124.7000113.5
302T30.3Very low29.6Very low98 Ų98146.6 Ų146.660%0.60181%0.806SS**  trans64.7131.8142.754.50000124.4
303G30.8Very low29.5Very low79 Ų79153.9 Ų153.981%0.81481%0.814SS**  trans-167.983.6155.200000111.9
304Y28.8Very low29.5Very low207 Ų207147.8 Ų147.881%0.81281%0.805SS**  trans-58.4140.5172.6-105-105.8000113.6
305N28.7Very low29.5Very low145 Ų145150.1 Ų150.178%0.77580%0.799SS**  162.2127.7114.6-98-56.8000114.2
306N28Very low29.7Very low155 Ų155154.3 Ų154.383%0.82980%0.8SS**  trans-179.8145.8144.9-108.7-28.5000105.3
307Y30Very low29.7Very low205 Ų205150.4 Ų150.480%0.80479%0.79SS**  cis-172.2154.7-4.7175.6-107.1000103.8
308Y28.9Very low29.8Very low215 Ų215151.4 Ų151.484%0.84378%0.784SS**  trans-48.7151.2173.2-83.8-103.2000114.7
309G29.7Very low29.9Very low76 Ų76151.5 Ų151.578%0.78479%0.785SS**  trans160.4100.715200000116.1
310Y30.1Very low30.1Very low241 Ų241152 Ų15295%0.94579%0.787SS**  trans-14.8135.5152.6-96.9-113.5000114.7
311G29.8Very low30.4Very low66 Ų66148.7 Ų148.768%0.6879%0.788SS**  cis120.4115.635.500000106.9
312D27.4Very low30.8Very low166 Ų166149 Ų14989%0.88879%0.793SS**  trans-163.6147.6156.5-138-60.2000111.6
313Y28.2Very low31.1Very low220 Ų220151.4 Ų151.486%0.86381%0.807SS**  trans-88.3158.8-169.2-112.8-107000111.7
314S29.9Very low31.6Very low107 Ų107152.3 Ų152.375%0.74880%0.801SS**  trans108.2114.6148.884.70000119.1
315N29.6Very low32Very low130 Ų130153.9 Ų153.970%0.69581%0.806SS**  88.9120.9127.4-120.1-52.6000121.9
316Q34Very low32.3Very low159 Ų159158.9 Ų158.974%0.74381%0.814SS**  trans83.5110.7141.4-96.7163.659.300121.7
317Q32.1Very low32.5Very low162 Ų162154.6 Ų154.676%0.75781%0.807SS**  76.9115.1117.6-14077.61300121
318S33.4Very low33Very low105 Ų105148.5 Ų148.573%0.73481%0.806SS**  trans57.9115.2138.3-70.50000122
319G32.8Very low33.4Very low68 Ų68147.3 Ų147.370%0.70181%0.807SS**  98136.198.100000119.4
320Y33Very low33.9Very low240 Ų240152.8 Ų152.894%0.94181%0.812SS**  trans92.898.7158.6-71.3-88.7000120.4
321G34.7Very low34.3Very low77 Ų77149.2 Ų149.279%0.79481%0.81SS**  95.992.797.900000118.2
322K36.4Very low34.6Very low209 Ų209150.9 Ų150.991%0.90981%0.811SS**  trans-80.8130156.4-73.7-172.2178.3179.50110.3
323V37.2Very low35Very low148 Ų148154.2 Ų154.290%0.89781%0.813SS**  trans-148.6142.3142.7-167.40000111.2
324S41.8Very low35.9Very low98 Ų98151.6 Ų151.669%0.68581%0.806SS**  trans-76.1151.3177.8166.90000113.8
325R36.9Very low37.2Very low240 Ų240152.2 Ų152.291%0.90681%0.808SS**  -177.2117.8128.5-100.9176.8-146.6-153.88.1114.6
326R35.1Very low38Very low249 Ų249160.4 Ų160.494%0.9483%0.831SS**  trans-8.3125.8135.3-167.4169.8-168.8146-0.1116.4
327G32.3Very low38.2Very low66 Ų66160.5 Ų160.568%0.6884%0.835SS**  trans-171115.5164.800000111.7
328G39.5Very low38.5Very low76 Ų76160.4 Ų160.478%0.78484%0.839SS**  trans-75.5153.9-178.800000113.3
329H38.2Very low38.8Very low190 Ų190163.5 Ų163.588%0.8885%0.845SS**  trans-123.1113.5172.8-75.84.1000110
330Q40.1Very low39.2Very low191 Ų191169.1 Ų169.189%0.89385%0.854SS**  trans-78.6131165.6-79.4-88.9-5400108.6
331N37.6Very low39.5Very low166 Ų166164.7 Ų164.789%0.88885%0.848SS**  trans-67.9134.4170.7-96.3-10.9000110.4
332S37Very low39.9Very low101 Ų101170.5 Ų170.571%0.70685%0.852SS**  trans-140.1110.8163.3-148.90000109.6
333Y35.7Very low40.1Very low237 Ų237167.8 Ų167.893%0.92985%0.848SS**  trans-142.5131.4149.1-155.5-97.2000109.2
334K45.7Very low40.3Very low165 Ų165169.3 Ų169.372%0.71784%0.844SS**  trans-99161.4-166.9-71.6154.9170.8173.60111
335P59Low40.2Very low120 Ų120175.3 Ų175.378%0.77986%0.857SS**  trans-97.7122.5160.533.9-24.6000111.1
336Y45.5Very low40.5Very low302 Ų302169.4 Ų169.4100%1.18485%0.853SS**  174.90114.1-130.6-90.4000108.5

Retrieved 336 of 336 residues in 300.4 ms (Link to these results)