X6RDA4_HUMAN Loading...

Paraspeckle component 1

AlphaFold DB , UniProt , Accession X6RDA4, Species HUMAN (Homo sapiens, Human), Gene PSPC1, Length 248 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
1M38.5Very low40.7Very low225 Ų225175 Ų175100%1.10887%0.868SS**  0155.30-81.5170.1159.800108.7
2M42.8Very low41.1Very low163 Ų163173.2 Ų173.280%0.80386%0.861SS**  trans65.299.4174.2-59.4123.7-176.900115.5
3L41.6Very low41.2Very low151 Ų151172.9 Ų172.979%0.79186%0.856SS**  73.994.678.7-68.3163.2000112.3
4R37.2Very low41.6Very low242 Ų242174.4 Ų174.491%0.91386%0.855SS**  67.3116.990-77.7-170.9179.4-177.70.7114.5
5G39.3Very low41.6Very low80 Ų80171.9 Ų171.983%0.82585%0.846SS**  trans175.471.5169.400000114.5
6N38.4Very low41.9Very low161 Ų161168.6 Ų168.686%0.86184%0.842SS**  trans-73.1128.8177.8-85.4-54.7000112.2K8N6-K8 PolarHBondContact O-N 3.16Å; N6-K8 VanDerWaalsContact O-N 3.16Å
7L42.3Very low41.8Very low179 Ų179163.4 Ų163.494%0.93783%0.831SS**  trans-73.898.2170.2-172.271000109.8
8K45Very low41.9Very low187 Ų187167.7 Ų167.781%0.81384%0.835SS**  trans-97.5111.4171.9-84.4-168.1173-173.30111.3N6 V10N6-K8 PolarHBondContact O-N 3.16Å; N6-K8 VanDerWaalsContact O-N 3.16Å; K8-V10 PolarHBondContact O-N 3.31Å
9Q40.7Very low42Very low190 Ų190167.5 Ų167.589%0.88884%0.837SS**  trans-60116.3169.4-173.8174.5600110.1R11Q9-R11 PolarHBondContact O-N 3.16Å
10V40.3Very low42.1Very low130 Ų130171.7 Ų171.779%0.78884%0.842SS**  trans-76.3113.4178.2179.80000109.1K8K8-V10 PolarHBondContact O-N 3.31Å
11R41.3Very low42.1Very low217 Ų217167.9 Ų167.982%0.81984%0.838SS**  trans-86.6116.6179.5-159.9175.9-169.7137.6-1.8108.5Q9 E13Q9-R11 PolarHBondContact O-N 3.16Å; R11-E13 PolarHBondContact O-N 3.17Å; R11-E13 VanDerWaalsContact O-N 3.16Å
12I45.9Very low42.2Very low153 Ų153165.7 Ų165.779%0.78583%0.83SS**  trans-80.994.7178-60.5165.3000108.4K14I12-K14 PolarHBondContact O-N 3.36Å
13E42.8Very low41.9Very low170 Ų170166.8 Ų166.879%0.79483%0.834SS**  trans-79.2103.1170.5-74.9-17990.800110.1R11 N15R11-E13 PolarHBondContact O-N 3.17Å; R11-E13 VanDerWaalsContact O-N 3.16Å; E13-N15 PolarHBondContact O-N 3.22Å
14K46.7Very low41.6Very low194 Ų194165.5 Ų165.584%0.84384%0.837SS**  trans-69116.4162.6-73.8-179.1174.1-178.30108.1I12 P16I12-K14 PolarHBondContact O-N 3.36Å; K14-P16 VanDerWaalsContact O-CD 3.29Å; K14-P16 WeakPolarHBondContact O-CD 3.29Å
15N41.3Very low41.5Very low136 Ų136158.8 Ų158.873%0.72783%0.833SS**  trans-103.8101.6174.4-175.7-2.3000110.6E13 A17E13-N15 PolarHBondContact O-N 3.22Å; N15-A17 VanDerWaalsContact C-N 3.3Å; N15-A17 PolarHBondContact O-N 3.38Å; N15-A17 WeakPolarHBondContact OD1-CB 3.15Å; N15-A17 PolarHBondContact OD1-N 3.32Å
16P46Very low41.6Very low119 Ų119161.8 Ų161.877%0.77384%0.835SS**  trans-87.921-178.136.6-36.9000114.1K14 R18K14-P16 VanDerWaalsContact O-CD 3.29Å; K14-P16 WeakPolarHBondContact O-CD 3.29Å; P16-R18 VanDerWaalsContact C-N 3.35Å; P16-R18 PolarHBondContact O-N 3.31Å
17A41.1Very low41.3Very low80 Ų80156.7 Ų156.766%0.66182%0.821SS**THydrogen-bonded Turntrans-86.531.4-168.200000116.4N15N15-A17 VanDerWaalsContact C-N 3.3Å; N15-A17 PolarHBondContact O-N 3.38Å; N15-A17 WeakPolarHBondContact OD1-CB 3.15Å; N15-A17 PolarHBondContact OD1-N 3.32Å
18R43.3Very low41Very low241 Ų241157.7 Ų157.791%0.90982%0.821SS**THydrogen-bonded Turntrans-1303.6175.1-111.8-172.7177-174.8-2.1117.6P16P16-R18 VanDerWaalsContact C-N 3.35Å; P16-R18 PolarHBondContact O-N 3.31Å
19L42.8Very low40.5Very low165 Ų165154.2 Ų154.286%0.86482%0.82SS**SBendtrans-11477.3166.8-90.975.1000110.1
20R44.4Very low40.5Very low250 Ų250153.6 Ų153.694%0.94382%0.817SS**  trans-176.864.6161.1-110.2178.8-174.4-159.61.3111.8
21A42.5Very low41Very low92 Ų92152.8 Ų152.876%0.7681%0.814SS**SBendtrans-162.879.8168.300000109.9
22L40.1Very low40.8Very low179 Ų179147.6 Ų147.694%0.93782%0.818SS**SBendtrans172.150.8155-95.1158.7000111.4
23E38Very low40.3Very low187 Ų187145.2 Ų145.287%0.87482%0.821SS**  trans-142.2148.6163.2-88.5-175.4109.600109.6
24S33.5Very low39.7Very low124 Ų124142 Ų14287%0.86782%0.823SS**  trans79131.417971.20000119
25A36.8Very low38.9Very low100 Ų100137.9 Ų137.983%0.82683%0.825SS**  trans87.1117.3-176.300000115
26V40.2Very low38.5Very low143 Ų143136.5 Ų136.587%0.86783%0.833SS**  cis-153.9154.84.9-1750000107.6
27G33.2Very low37.9Very low54 Ų54139.8 Ų139.856%0.55784%0.84SS**  cis139.3107.6-6.600000113.8
28E34.9Very low37.5Very low201 Ų201140.8 Ų140.894%0.93985%0.849SS**  trans65.4150.5168.6-62.2171.8102.700116.7
29S35.5Very low36.9Very low113 Ų113136.9 Ų136.979%0.7985%0.845SS**  cis-155.6159.92.354.50000112.4
30E39.4Very low36.6Very low178 Ų178133.9 Ų133.983%0.83284%0.844SS**  trans-69.7-173.8164.5-87.6-171.299.100113.7
31P51.3Low36Very low112 Ų112130 Ų13073%0.72784%0.842SS**  cis-131.1173.4-15.725.2-3.3000114.6
32A36.1Very low35.7Very low109 Ų109130.8 Ų130.890%0.90185%0.847SS**  trans-157.7111.6152.900000113
33A36Very low35.4Very low103 Ų103126 Ų12685%0.85184%0.842SS**  trans-127.6120.7171.200000110.4
34A30.8Very low35.2Very low102 Ų102126.4 Ų126.484%0.84384%0.844SS**  trans-154.8114.7173.300000113.3
35A30.2Very low35.6Very low107 Ų107126.1 Ų126.188%0.88484%0.839SS**  trans45.4121.6143.400000122.6
36A32.9Very low36Very low107 Ų107125.7 Ų125.788%0.88484%0.835SS**  -155.1130.9127.600000111.5
37M31.9Very low36.5Very low188 Ų188124.4 Ų124.493%0.92683%0.83SS**  trans-109.5137.7166.8-76.7173.873.400109.4
38A33.4Very low37.2Very low102 Ų102127.7 Ų127.784%0.84384%0.842SS**  trans-163.5145.9150.500000112.4
39L30Very low38.1Very low158 Ų158122.5 Ų122.583%0.82783%0.833SS**  trans-79.2152-178.1-80.259000113.6
40A36.9Very low38.5Very low103 Ų103123.3 Ų123.385%0.85184%0.835SS**  trans-159150.2132.400000111.3
41L32.7Very low38.8Very low169 Ų169118.8 Ų118.889%0.88583%0.828SS**  trans-107.3147.3-176-73.3131.7000112.4
42A35.8Very low38.9Very low107 Ų107118.7 Ų118.788%0.88483%0.828SS**  trans143.2132.4130.600000114.1
43G33Very low39.4Very low80 Ų80119 Ų11983%0.82582%0.82SS**  trans128.5104.4162.800000116.3
44E35.5Very low39.5Very low194 Ų194122.1 Ų122.191%0.90782%0.818SS**  trans-74.1168.1160-85172.576.400111.5
45P40.7Very low39.9Very low119 Ų119124.4 Ų124.477%0.77382%0.816SS**  cis-127.6-17110.838-19.1000115
46A44.8Very low40.6Very low90 Ų90127.2 Ų127.274%0.74481%0.81SS**PPolyproline II helixtrans-63.1143.6-173.400000115.4
47P51.5Low40.9Very low117 Ų117126.2 Ų126.276%0.7680%0.795SS**PPolyproline II helixtrans-77.2145.2169.532.4-34000111.8
48P47.7Very low41.2Very low123 Ų123125.1 Ų125.180%0.79979%0.792SS**PPolyproline II helixtrans-66.9159.9163.131.1-33.9000110.7
49A53.4Low41.6Very low91 Ų91127.8 Ų127.875%0.75279%0.787SS**PPolyproline II helixtrans-56.9146-175.600000113A51A49-A51 PolarHBondContact O-N 3.4Å
50P44.9Very low42.1Very low130 Ų130129 Ų12984%0.84479%0.789SS**PPolyproline II helixtrans-65.6119.3175.827.4-33.5000110.5
51A46.3Very low42.1Very low83 Ų83133.2 Ų133.269%0.68679%0.793SS**PPolyproline II helixtrans-63.6154.3158.900000109.4A49A49-A51 PolarHBondContact O-N 3.4Å
52P51.5Low42.2Very low110 Ų110127.8 Ų127.871%0.71478%0.779SS**PPolyproline II helixtrans-59.6152.9175.726.8-35.2000111.2E54P52-E54 PolarHBondContact O-N 3.03Å
53P46.6Very low42.3Very low115 Ų115131.6 Ų131.675%0.74778%0.776SS**PPolyproline II helixtrans-61129.3-177.125.7-34.2000111.1D55P53-D55 PolarHBondContact O-N 2.83Å
54E39.1Very low42.6Very low170 Ų170133.5 Ų133.579%0.79477%0.771SS**  trans-76.4102.8165.2-65.4-178.4157.300107.2P52 H56P52-E54 PolarHBondContact O-N 3.03Å; E54-H56 PolarHBondContact O-N 3.47Å; E54-H56 VanDerWaalsContact O-N 3.16Å
55D39.2Very low43.4Very low149 Ų149127.8 Ų127.880%0.79775%0.746SS**  trans-62.5114.5168.7-77.1-47.8000108.5P53 P57P53-D55 PolarHBondContact O-N 2.83Å; D55-P57 WeakPolarHBondContact O-CD 3.5Å
56H44.2Very low43.8Very low166 Ų166127.3 Ų127.377%0.76974%0.737SS**  trans-86.1104.2160.3-70.8-65.8000107.9E54 D58E54-H56 PolarHBondContact O-N 3.47Å; E54-H56 VanDerWaalsContact O-N 3.16Å; H56-D58 PolarHBondContact O-N 3.4Å
57P40.3Very low44.3Very low87 Ų87124.8 Ų124.857%0.56571%0.711SS**  trans-76.6115164.532.8-33.2000108.2D55 E59D55-P57 WeakPolarHBondContact O-CD 3.5Å; P57-E59 HydrophobicContact CB-CG 3.72Å; P57-E59 HydrophobicContact CG-CG 3.9Å; P57-E59 PolarHBondContact O-N 2.62Å
58D38.2Very low44.3Very low164 Ų164127.6 Ų127.688%0.87771%0.711SS**  trans-66.581.8156.5-77.6-52.1000107.5H56 E60H56-D58 PolarHBondContact O-N 3.4Å; D58-E60 VanDerWaalsContact C-N 3.33Å; D58-E60 PolarHBondContact O-N 3.02Å
59E40.5Very low44.4Very low158 Ų158126.5 Ų126.574%0.73871%0.706SS**  trans-71.886.4179.9-65.9-170.6164.500110.3P57 M61P57-E59 HydrophobicContact CB-CG 3.72Å; P57-E59 HydrophobicContact CG-CG 3.9Å; P57-E59 PolarHBondContact O-N 2.62Å; E59-M61 PolarHBondContact O-N 3.01Å; E59-M61 VanDerWaalsContact O-N 3.17Å
60E41Very low44.3Very low184 Ų184129.5 Ų129.586%0.8670%0.703SS**  trans-51.1121.6153.9-68.3-165.1141.800108D58 G62D58-E60 VanDerWaalsContact C-N 3.33Å; D58-E60 PolarHBondContact O-N 3.02Å; E60-G62 PolarHBondContact O-N 3.29Å
61M37.2Very low44.7Very low191 Ų191125.8 Ų125.894%0.94168%0.675SS**  trans-71.456.8-174.2-73.5-179-81.800113.5E59 F63E59-M61 PolarHBondContact O-N 3.01Å; E59-M61 VanDerWaalsContact O-N 3.17Å; M61-F63 PolarHBondContact O-N 3.41Å
62G34.6Very low45.1Very low56 Ų56128.8 Ų128.858%0.57767%0.673SS**  trans-73.6101.4157.200000108.5E60 T64E60-G62 PolarHBondContact O-N 3.29Å; G62-T64 PolarHBondContact O-N 3.17Å
63F37.9Very low45Very low187 Ų187130.2 Ų130.282%0.8268%0.682SS**  trans-72.766.7177.2-145.1-88.5000110.2M61 I65M61-F63 PolarHBondContact O-N 3.41Å; F63-I65 VanDerWaalsContact C-N 3.33Å; F63-I65 HydrophobicContact CD1-CG1 3.89Å; F63-I65 HydrophobicContact CE1-CG1 4.32Å; F63-I65 PolarHBondContact O-N 3.06Å
64T40.3Very low45.4Very low119 Ų119128.4 Ų128.473%0.7368%0.684SS**  trans-70.691.5173.752.30000108.2G62 D66G62-T64 PolarHBondContact O-N 3.17Å; T64-D66 PolarHBondContact O-N 3.14Å
65I50.9Low46.5Very low74 Ų74122.5 Ų122.538%0.37966%0.656SS.*  trans-60.8111.5173.8-53.5174.5000107F63 I67F63-I65 VanDerWaalsContact C-N 3.33Å; F63-I65 HydrophobicContact CD1-CG1 3.89Å; F63-I65 HydrophobicContact CE1-CG1 4.32Å; F63-I65 PolarHBondContact O-N 3.06Å; I65-I67 HydrophobicContact CB-CD1 4.49Å; I65-I67 HydrophobicContact CB-CG1 4.18Å; I65-I67 HydrophobicContact CG2-CG1 3.95Å; I65-I67 WeakPolarHBondContact O-CD1 3.44Å; I65-I67 VanDerWaalsContact O-CG1 3.27Å; I65-I67 WeakPolarHBondContact O-CG1 3.38Å; I65-I67 PolarHBondContact O-N 2.77Å
66D49.5Very low47.8Very low110 Ų110119 Ų11959%0.58863%0.634SS**  trans-7474.8175.1-110.6-52.2000110.3T64 K68 S69T64-D66 PolarHBondContact O-N 3.14Å; D66-K68 PolarHBondContact O-N 2.67Å; D66-S69 PolarHBondContact O-N 2.83Å
67I56.2Low49.3Very low37 Ų37114 Ų11419%0.1962%0.615CS.*G310 helixtrans-56.2-25-172.7-64130.4000112.4I65 S69 F70 L71 L129I65-I67 HydrophobicContact CB-CD1 4.49Å; I65-I67 HydrophobicContact CB-CG1 4.18Å; I65-I67 HydrophobicContact CG2-CG1 3.95Å; I65-I67 WeakPolarHBondContact O-CD1 3.44Å; I65-I67 VanDerWaalsContact O-CG1 3.27Å; I65-I67 WeakPolarHBondContact O-CG1 3.38Å; I65-I67 PolarHBondContact O-N 2.77Å; I67-S69 PolarHBondContact O-N 3.14Å; I67-S69 VanDerWaalsContact O-N 3.13Å; I67-F70 PolarHBondContact O-N 3.23Å; I67-L71 PolarHBondContact O-N 3.48Å; I67-L129 HydrophobicContact CD1-CD1 3.85Å; I67-L129 HydrophobicContact CD1-CD2 3.95Å; I67-L129 HydrophobicContact CD1-CG 4.37Å; I67-L129 HydrophobicContact CG1-CD1 4.09Å; I67-L129 HydrophobicContact CG1-CD2 3.92Å; I67-L129 HydrophobicContact CG1-CG 4.24Å; I67-L129 HydrophobicContact CG2-CD1 4.15Å
68K51.6Low51.1Low175 Ų175112.8 Ų112.876%0.76160%0.6SS**G310 helixtrans-58.2-26.3-179.8-68.4173.2-175.2162.80113.3D66D66-K68 PolarHBondContact O-N 2.67Å
69S48.8Very low53.3Low100 Ų100105.4 Ų105.470%0.69956%0.561SS**G310 helixtrans-81.5-13179.3-60.30000114.4D66 I67D66-S69 PolarHBondContact O-N 2.83Å; I67-S69 PolarHBondContact O-N 3.14Å; I67-S69 VanDerWaalsContact O-N 3.13Å
70F51.7Low55.2Low155 Ų15599.5 Ų99.568%0.6853%0.533SS*.THydrogen-bonded Turntrans-112.4-5.2-177-68.8-81.9000114.3I67 K72I67-F70 PolarHBondContact O-N 3.23Å; F70-K72 PolarHBondContact O-N 3.35Å
71L53Low56.9Low51 Ų5193.8 Ų93.827%0.26750%0.504SS..SBendtrans-63.1115.7168-78.8161.9000109.3I67 T77I67-L71 PolarHBondContact O-N 3.48Å; L71-T77 HydrophobicContact CD1-CG2 4.31Å; L71-T77 HydrophobicContact CD2-CG2 4.12Å
72K55.6Low59.1Low147 Ų14784.8 Ų84.864%0.63946%0.46SS*.  trans-58.5137.2172-69.6177.2-178.7170.90108.7F70 G74 E75F70-K72 PolarHBondContact O-N 3.35Å; K72-G74 PolarHBondContact O-N 3.19Å; K72-E75 HydrophobicContact CB-CB 4.19Å; K72-E75 WeakPolarHBondContact O-CB 3.32Å; K72-E75 PolarHBondContact O-N 3.02Å
73P47.9Very low61.6Low140 Ų14084 Ų8491%0.90944%0.439SS*.THydrogen-bonded Turntrans-58115.2179.522.3-32.3000110
74G54.7Low64.1Low76 Ų7675 Ų7578%0.78440%0.4SS*.THydrogen-bonded Turntrans98.4-2.1-175.200000116.3K72 K76K72-G74 PolarHBondContact O-N 3.19Å; G74-K76 PolarHBondContact O-N 3.41Å
75E62.2Low66.4Low46 Ų4672.2 Ų72.222%0.21538%0.378CS..  trans-77.3112.8174.1-165.7129.8-134.800110.2K72 K184K72-E75 HydrophobicContact CB-CB 4.19Å; K72-E75 WeakPolarHBondContact O-CB 3.32Å; K72-E75 PolarHBondContact O-N 3.02Å; E75-K184 IonicContact OE1-NZ 2.71Å; E75-K184 PolarHBondContact OE1-NZ 3.46Å
76K67.6Low68.3Low76 Ų7668.7 Ų68.733%0.3336%0.359SS..  trans-70.7138-179.4-62.2179.5-168.7156.70110G74 T79 E173 V182 E183G74-K76 PolarHBondContact O-N 3.41Å; K76-T79 HydrophobicContact CB-CG2 3.78Å; K76-T79 VanDerWaalsContact O-CG2 3.27Å; K76-T79 WeakPolarHBondContact O-CG2 3.37Å; K76-E173 IonicContact NZ-OE1 3.72Å; K76-E173 PolarHBondContact NZ-OE1 2.92Å; K76-E173 IonicContact NZ-OE2 3.53Å; K76-V182 PolarHBondContact NZ-O 3.4Å; K76-E183 WeakPolarHBondContact CD-O 3.46Å; K76-E183 PolarHBondContact NZ-O 3.37Å
77T76.6Confident70.1Confident60 Ų6063.7 Ų63.737%0.36833%0.334SS..THydrogen-bonded Turntrans-76.3157.417452.90000111L71 T79 E125L71-T77 HydrophobicContact CD1-CG2 4.31Å; L71-T77 HydrophobicContact CD2-CG2 4.12Å; T77-T79 VanDerWaalsContact C-N 3.26Å; T77-T79 PolarHBondContact O-N 2.79Å; T77-E125 CarbonylContact C-O 3.51Å; T77-E125 WeakPolarHBondContact CA-O 3.35Å; T77-E125 WeakPolarHBondContact CB-O 3.37Å; T77-E125 HydrophobicContact CG2-CG 3.61Å
78Y78.1Confident71.6Confident63 Ų6364.9 Ų64.925%0.24734%0.341CS..THydrogen-bonded Turntrans54.937177.6-55.6-71.8000114.1R123 L124 E125Y78-R123 WeakPolarHBondContact O-CD 3.45Å; Y78-R123 PolarHBondContact O-NH1 2.87Å; Y78-L124 WeakPolarHBondContact CD1-O 3.5Å; Y78-E125 HydrophobicContact CD1-CB 4.34Å; Y78-E125 HydrophobicContact CD2-CG 4.44Å; Y78-E125 HydrophobicContact CE1-CB 3.71Å; Y78-E125 HydrophobicContact CE1-CG 4.29Å; Y78-E125 HydrophobicContact CE2-CB 4.19Å; Y78-E125 HydrophobicContact CE2-CG 3.83Å; Y78-E125 PolarHBondContact N-O 2.87Å
79T82.4Confident73.3Confident9 Ų956.7 Ų56.76%0.05531%0.305CS..  trans-75.8162.7173.658.20000111.6K76 T77 R81 C82 E183K76-T79 HydrophobicContact CB-CG2 3.78Å; K76-T79 VanDerWaalsContact O-CG2 3.27Å; K76-T79 WeakPolarHBondContact O-CG2 3.37Å; T77-T79 VanDerWaalsContact C-N 3.26Å; T77-T79 PolarHBondContact O-N 2.79Å; T79-R81 PolarHBondContact O-N 2.99Å; T79-R81 VanDerWaalsContact O-N 3.15Å; T79-C82 WeakPolarHBondContact O-CB 3.3Å; T79-C82 PolarHBondContact O-N 3.42Å; T79-C82 PolarHBondContact OG1-SG 2.88Å; T79-E183 WeakPolarHBondContact CA-OE1 3.37Å; T79-E183 WeakPolarHBondContact CA-OE2 3.2Å; T79-E183 VanDerWaalsContact CB-OE2 3.25Å; T79-E183 WeakPolarHBondContact CB-OE2 3.27Å; T79-E183 HydrophobicContact CG2-CB 3.82Å; T79-E183 HydrophobicContact CG2-CG 3.89Å
80Q81Confident75Confident34 Ų3452.2 Ų52.216%0.15927%0.274CS..G310 helixtrans-58.6-21.7170.4-65.3-72.2-10.900112.2C82 R83 R123 H154 E183 A204Q80-C82 VanDerWaalsContact C-N 3.31Å; Q80-R83 WeakPolarHBondContact O-CB 3.49Å; Q80-R83 PolarHBondContact O-N 3.34Å; Q80-R123 VanDerWaalsContact NE2-NH2 3.15Å; Q80-H154 WeakPolarHBondContact CB-CD2 3.42Å; Q80-E183 WeakPolarHBondContact CB-OE2 3.12Å; Q80-E183 PolarHBondContact N-OE1 3.09Å; Q80-E183 PolarHBondContact N-OE2 3.25Å; Q80-A204 PolarHBondContact NE2-O 3.13Å
81R77.7Confident76.4Confident64 Ų6449 Ų4924%0.24227%0.267CS..G310 helixtrans-70.9-24.5172.1-54.4-176.171.7123.210.1113.4T79 R83 E202T79-R81 PolarHBondContact O-N 2.99Å; T79-R81 VanDerWaalsContact O-N 3.15Å; R81-R83 VanDerWaalsContact C-N 3.26Å; R81-E202 WeakPolarHBondContact CD-OE1 3.43Å; R81-E202 WeakPolarHBondContact CD-OE2 3.44Å; R81-E202 IonicContact CZ-OE1 2.93Å; R81-E202 IonicContact CZ-OE2 3.67Å; R81-E202 IonicContact NE-OE1 2.72Å; R81-E202 IonicContact NE-OE2 2.69Å; R81-E202 IonicContact NH1-OE1 2.6Å; R81-E202 PolarHBondContact NH1-OE1 3Å; R81-E202 IonicContact NH1-OE2 3.41Å; R81-E202 PolarHBondContact NH1-OE2 3.43Å
82C83.6Confident77.9Confident2 Ų251.6 Ų51.61%0.01428%0.281CS..G310 helixtrans-88.26.4173.5-46.70000112.1T79 Q80 L124 R127T79-C82 WeakPolarHBondContact O-CB 3.3Å; T79-C82 PolarHBondContact O-N 3.42Å; T79-C82 PolarHBondContact OG1-SG 2.88Å; Q80-C82 VanDerWaalsContact C-N 3.31Å; C82-L124 WeakPolarHBondContact CB-O 3.46Å; C82-L124 PolarHBondContact O-N 3.36Å; C82-R127 PolarHBondContact SG-N 2.81Å
83R87.3Confident79.2Confident38 Ų3844.9 Ų44.914%0.14325%0.252CS..EExtended strand (participates in β ladder)trans-91.2119-179.3-164.9174.6-177-97.7-0.7109.7Q80 R81 E110 F121 I122 R123 A152Q80-R83 WeakPolarHBondContact O-CB 3.49Å; Q80-R83 PolarHBondContact O-N 3.34Å; R81-R83 VanDerWaalsContact C-N 3.26Å; R83-E110 IonicContact NH2-OE1 2.67Å; R83-F121 VanDerWaalsContact NH2-CG 3.27Å; R83-I122 CarbonylContact C-O 3.5Å; R83-I122 VanDerWaalsContact CA-O 3.27Å; R83-I122 WeakPolarHBondContact CA-O 3.17Å; R83-R123 HydrophobicContact CG-CB 4.49Å; R83-A152 HydrophobicContact CB-CB 4.02Å; R83-A152 HydrophobicContact CG-CB 3.84Å; R83-A152 VanDerWaalsContact O-CB 3.29Å; R83-A152 WeakPolarHBondContact O-CB 3.44Å; R83-A152 PolarHBondContact O-N 2.92Å
84L88.9Confident81.1Confident0 Ų040.6 Ų40.60%022%0.223CC..EExtended strand (participates in β ladder)trans-97.7144173.9-62.9174000110.4F102 F121 I122 L124 A130 A133 K134 I149 R150 F151L84-F102 HydrophobicContact CD1-CE1 4.02Å; L84-F121 VanDerWaalsContact O-CA 3.25Å; L84-F121 WeakPolarHBondContact O-CA 3.2Å; L84-I122 HydrophobicContact CB-CG2 3.82Å; L84-I122 HydrophobicContact CD1-CG2 4.4Å; L84-I122 PolarHBondContact N-O 2.74Å; L84-I122 PolarHBondContact O-N 3.17Å; L84-L124 HydrophobicContact CD1-CD1 3.93Å; L84-A130 HydrophobicContact CD1-CB 4.17Å; L84-A130 HydrophobicContact CD2-CB 4.03Å; L84-A130 HydrophobicContact CG-CB 3.98Å; L84-A133 HydrophobicContact CD1-CB 4.1Å; L84-K134 HydrophobicContact CD2-CB 4.21Å; L84-I149 HydrophobicContact CB-CG2 4.15Å; L84-I149 HydrophobicContact CD1-CG2 3.97Å; L84-I149 HydrophobicContact CD2-CG2 4.22Å; L84-I149 HydrophobicContact CG-CG2 4.35Å; L84-R150 CarbonylContact C-O 3.56Å; L84-R150 WeakPolarHBondContact CA-O 3.25Å; L84-F151 HydrophobicContact CD2-CD1 3.85Å; L84-F151 HydrophobicContact CD2-CE1 3.75Å; L84-F151 HydrophobicContact CD2-CG 4.37Å; L84-F151 HydrophobicContact CD2-CZ 4.18Å
85F90.1Very high82.5Confident59 Ų5941.1 Ų41.126%0.25921%0.206SC..EExtended strand (participates in β ladder)trans-95130.6163170.6-100.6000108.5F119 F121 I149 R150F85-F119 HydrophobicContact CD2-CB 4.48Å; F85-F119 HydrophobicContact CD2-CD2 4.24Å; F85-F119 HydrophobicContact CE2-CB 3.54Å; F85-F119 HydrophobicContact CE2-CD1 4.41Å; F85-F119 AromaticContact CE2-CD2 3.65Å; F85-F119 HydrophobicContact CE2-CD2 3.65Å; F85-F119 AromaticContact CE2-CG 3.61Å; F85-F119 HydrophobicContact CE2-CG 3.61Å; F85-F119 HydrophobicContact CZ-CB 3.75Å; F85-F119 HydrophobicContact CZ-CG 4.19Å; F85-F121 HydrophobicContact CB-CD1 4.02Å; F85-F121 HydrophobicContact CB-CE1 3.83Å; F85-F121 HydrophobicContact CD2-CD1 4.11Å; F85-F121 AromaticContact CD2-CE1 3.57Å; F85-F121 HydrophobicContact CD2-CE1 3.57Å; F85-F121 HydrophobicContact CD2-CE2 4.45Å; F85-F121 AromaticContact CD2-CZ 3.76Å; F85-F121 HydrophobicContact CD2-CZ 3.76Å; F85-F121 HydrophobicContact CE2-CZ 4.42Å; F85-F121 HydrophobicContact CG-CE1 4.17Å; F85-I149 WeakPolarHBondContact O-CA 3.04Å; F85-R150 PolarHBondContact N-O 3.36Å; F85-R150 PolarHBondContact O-N 3.22Å
86V89.1Confident83.6Confident0 Ų045.7 Ų45.70%023%0.227CC..EExtended strand (participates in β ladder)trans-118.397.1177.1-173.50000108.4L89 F98 F102 F119 G120 I122 L147 R148 I149V86-L89 HydrophobicContact CB-CD1 4.49Å; V86-L89 HydrophobicContact CG1-CD1 4.33Å; V86-L89 HydrophobicContact CG1-CD2 3.83Å; V86-L89 HydrophobicContact CG1-CG 4.01Å; V86-F98 HydrophobicContact CB-CE2 3.82Å; V86-F98 HydrophobicContact CB-CZ 4.07Å; V86-F98 HydrophobicContact CG1-CE2 3.92Å; V86-F98 HydrophobicContact CG2-CE2 3.84Å; V86-F98 HydrophobicContact CG2-CZ 3.73Å; V86-F102 HydrophobicContact CG2-CE2 4.01Å; V86-F102 HydrophobicContact CG2-CZ 3.65Å; V86-F119 CarbonylContact O-C 3.56Å; V86-F119 WeakPolarHBondContact O-CA 3.23Å; V86-G120 PolarHBondContact N-O 2.69Å; V86-G120 PolarHBondContact O-N 3.49Å; V86-I122 HydrophobicContact CG2-CG2 4.35Å; V86-L147 HydrophobicContact CG1-CD1 4.49Å; V86-L147 HydrophobicContact CG1-CD2 4.45Å; V86-R148 CarbonylContact C-O 3.47Å; V86-I149 HydrophobicContact CB-CG1 4.39Å; V86-I149 HydrophobicContact CG1-CD1 4.38Å; V86-I149 HydrophobicContact CG1-CG1 3.96Å; V86-I149 HydrophobicContact CG2-CD1 4.43Å; V86-I149 HydrophobicContact CG2-CG1 4.12Å
87G88.6Confident84.5Confident5 Ų545.3 Ų45.35%0.05223%0.228CC..EExtended strand (participates in β ladder)trans-88.3168.4176.500000113.4L89 R148G87-L89 PolarHBondContact O-N 2.86Å; G87-R148 PolarHBondContact N-O 3.25Å; G87-R148 PolarHBondContact O-N 3.42Å
88N88.1Confident84.9Confident63 Ų6342.5 Ų42.534%0.33721%0.211SC..SBendtrans62.923.2178.3-152.334.3000115.2G118 R145 P146N88-G118 CarbonylContact C-O 3.57Å; N88-G118 PolarHBondContact N-O 3.17Å; N88-R145 PolarHBondContact O-NE 3.37Å; N88-R145 PolarHBondContact O-NH2 3.3Å; N88-R145 PolarHBondContact OD1-NE 2.71Å; N88-R145 PolarHBondContact OD1-NH2 2.74Å; N88-P146 WeakPolarHBondContact CB-O 3.49Å; N88-P146 PolarHBondContact ND2-O 3.45Å
89L86.4Confident85.3Confident2 Ų243.5 Ų43.51%0.0122%0.217CC..  trans-61.3140.8175.3-72.6170.5000111.7V86 G87 I93 F98 I113 G118 R145 L147V86-L89 HydrophobicContact CB-CD1 4.49Å; V86-L89 HydrophobicContact CG1-CD1 4.33Å; V86-L89 HydrophobicContact CG1-CD2 3.83Å; V86-L89 HydrophobicContact CG1-CG 4.01Å; G87-L89 PolarHBondContact O-N 2.86Å; L89-I93 HydrophobicContact CB-CG2 4.21Å; L89-I93 HydrophobicContact CD1-CG2 4.37Å; L89-I93 HydrophobicContact CD2-CG1 4.32Å; L89-I93 HydrophobicContact CD2-CG2 4.47Å; L89-F98 HydrophobicContact CD1-CD2 4.21Å; L89-F98 HydrophobicContact CD1-CE2 3.9Å; L89-F98 HydrophobicContact CD2-CD2 4.07Å; L89-F98 HydrophobicContact CD2-CE2 4.11Å; L89-I113 HydrophobicContact CD1-CG2 4.31Å; L89-G118 PolarHBondContact N-O 3.16Å; L89-G118 WeakPolarHBondContact O-CA 3.46Å; L89-R145 PolarHBondContact O-NH1 2.73Å; L89-R145 PolarHBondContact O-NH2 2.91Å; L89-L147 HydrophobicContact CD2-CD2 3.68Å; L89-L147 HydrophobicContact CG-CD2 4.44Å
90P83.3Confident85.5Confident7 Ų751.6 Ų51.65%0.04525%0.246CC..  trans-65.7148.2169.927.7-31000110.9D92 I93 K143P90-D92 PolarHBondContact O-N 2.77Å; P90-I93 HydrophobicContact CG-CB 4.21Å; P90-I93 HydrophobicContact CG-CD1 4.37Å; P90-I93 WeakPolarHBondContact O-CB 3.35Å; P90-I93 VanDerWaalsContact O-CG2 3.32Å; P90-I93 WeakPolarHBondContact O-CG2 3.38Å; P90-I93 PolarHBondContact O-N 2.9Å; P90-I93 VanDerWaalsContact O-N 3.14Å; P90-K143 HydrophobicContact CB-CB 4.42Å; P90-K143 HydrophobicContact CB-CD 4.27Å; P90-K143 HydrophobicContact CG-CD 4.23Å
91T83.1Confident85.6Confident87 Ų8752 Ų5253%0.53425%0.25SC..THydrogen-bonded Turntrans-57.7-30.8175.3370000112.6I93T91-I93 VanDerWaalsContact C-N 3.28Å; T91-I93 PolarHBondContact O-N 3.24Å
92D83.4Confident85.9Confident105 Ų10549 Ų4956%0.56124%0.238SC*.THydrogen-bonded Turntrans-87.921.8180-54.8-108.1000113.1P90 K143P90-D92 PolarHBondContact O-N 2.77Å; D92-K143 HydrophobicContact CB-CD 4.43Å; D92-K143 PolarHBondContact O-NZ 3.24Å
93I83.7Confident85.9Confident7 Ų755.1 Ų55.14%0.03627%0.267CS..  trans-84.1129.7168.3-157.281.5000109.2L89 P90 T91 D97 F98 I113 L142L89-I93 HydrophobicContact CB-CG2 4.21Å; L89-I93 HydrophobicContact CD1-CG2 4.37Å; L89-I93 HydrophobicContact CD2-CG1 4.32Å; L89-I93 HydrophobicContact CD2-CG2 4.47Å; P90-I93 HydrophobicContact CG-CB 4.21Å; P90-I93 HydrophobicContact CG-CD1 4.37Å; P90-I93 WeakPolarHBondContact O-CB 3.35Å; P90-I93 VanDerWaalsContact O-CG2 3.32Å; P90-I93 WeakPolarHBondContact O-CG2 3.38Å; P90-I93 PolarHBondContact O-N 2.9Å; P90-I93 VanDerWaalsContact O-N 3.14Å; T91-I93 VanDerWaalsContact C-N 3.28Å; T91-I93 PolarHBondContact O-N 3.24Å; I93-D97 HydrophobicContact CD1-CB 3.93Å; I93-D97 HydrophobicContact CG1-CB 4.26Å; I93-F98 HydrophobicContact CG1-CB 4.34Å; I93-I113 HydrophobicContact CG2-CG2 3.96Å; I93-L142 HydrophobicContact CD1-CD1 3.99Å
94T86.2Confident85.8Confident49 Ų4961.7 Ų61.730%0.30129%0.291SS..  trans-92167.2168.5690000111E96 D97 F98T94-E96 PolarHBondContact O-N 2.88Å; T94-E96 PolarHBondContact OG1-N 3.36Å; T94-D97 WeakPolarHBondContact CB-OD2 3.32Å; T94-D97 WeakPolarHBondContact CG2-OD2 3.47Å; T94-D97 PolarHBondContact N-OD2 3.38Å; T94-D97 PolarHBondContact OG1-N 2.92Å; T94-D97 PolarHBondContact OG1-OD2 2.8Å; T94-F98 WeakPolarHBondContact O-CB 3.4Å; T94-F98 PolarHBondContact O-N 2.98Å
95E85Confident85.4Confident88 Ų8862.3 Ų62.341%0.41129%0.294SS..Hα-helixtrans-65.4-31170.7-166-171.9125.100111.5F98 K99 V111 I113E95-F98 PolarHBondContact O-N 3.21Å; E95-K99 HydrophobicContact CG-CD 4.41Å; E95-K99 WeakPolarHBondContact O-CB 3.39Å; E95-K99 WeakPolarHBondContact O-CG 3.48Å; E95-K99 PolarHBondContact O-N 3.2Å; E95-K99 WeakPolarHBondContact OE1-CE 3.4Å; E95-K99 IonicContact OE1-NZ 2.71Å; E95-K99 PolarHBondContact OE1-NZ 3.44Å; E95-V111 HydrophobicContact CG-CG1 3.78Å; E95-I113 HydrophobicContact CB-CD1 4.32Å; E95-I113 HydrophobicContact CG-CD1 4.49Å
96E86.4Confident84.9Confident141 Ų14160.4 Ų60.466%0.65929%0.291SS*.Hα-helixtrans-70.2-45.6179-62.317586.300111.5T94 F98 K99 R100T94-E96 PolarHBondContact O-N 2.88Å; T94-E96 PolarHBondContact OG1-N 3.36Å; E96-F98 VanDerWaalsContact C-N 3.28Å; E96-F98 PolarHBondContact O-N 3.45Å; E96-K99 PolarHBondContact O-N 3.35Å; E96-R100 WeakPolarHBondContact O-CB 3.4Å; E96-R100 VanDerWaalsContact O-CG 3.3Å; E96-R100 WeakPolarHBondContact O-CG 3.42Å; E96-R100 PolarHBondContact O-N 3.35Å
97D86.2Confident84.4Confident68 Ų6867.8 Ų67.836%0.36433%0.325SS..Hα-helixtrans-58.6-43.4173.4-60.6-53.2000111I93 T94 R100 L101I93-D97 HydrophobicContact CD1-CB 3.93Å; I93-D97 HydrophobicContact CG1-CB 4.26Å; T94-D97 WeakPolarHBondContact CB-OD2 3.32Å; T94-D97 WeakPolarHBondContact CG2-OD2 3.47Å; T94-D97 PolarHBondContact N-OD2 3.38Å; T94-D97 PolarHBondContact OG1-N 2.92Å; T94-D97 PolarHBondContact OG1-OD2 2.8Å; D97-R100 PolarHBondContact O-N 3.3Å; D97-L101 PolarHBondContact O-N 3.49Å
98F85.1Confident84.3Confident1 Ų168.5 Ų68.50%0.00433%0.329CS..Hα-helixtrans-68.5-41.5-179.4-171.3-98.3000111.5V86 L89 I93 T94 E95 E96 L101 F102 V111 I113 I122V86-F98 HydrophobicContact CB-CE2 3.82Å; V86-F98 HydrophobicContact CB-CZ 4.07Å; V86-F98 HydrophobicContact CG1-CE2 3.92Å; V86-F98 HydrophobicContact CG2-CE2 3.84Å; V86-F98 HydrophobicContact CG2-CZ 3.73Å; L89-F98 HydrophobicContact CD1-CD2 4.21Å; L89-F98 HydrophobicContact CD1-CE2 3.9Å; L89-F98 HydrophobicContact CD2-CD2 4.07Å; L89-F98 HydrophobicContact CD2-CE2 4.11Å; I93-F98 HydrophobicContact CG1-CB 4.34Å; T94-F98 WeakPolarHBondContact O-CB 3.4Å; T94-F98 PolarHBondContact O-N 2.98Å; E95-F98 PolarHBondContact O-N 3.21Å; E96-F98 VanDerWaalsContact C-N 3.28Å; E96-F98 PolarHBondContact O-N 3.45Å; F98-L101 WeakPolarHBondContact O-CB 3.47Å; F98-L101 PolarHBondContact O-N 3.23Å; F98-F102 HydrophobicContact CD2-CE2 4.32Å; F98-F102 HydrophobicContact CE1-CD2 4.39Å; F98-F102 HydrophobicContact CE1-CE2 4.37Å; F98-F102 HydrophobicContact CE2-CD2 4.48Å; F98-F102 AromaticContact CE2-CE2 3.86Å; F98-F102 HydrophobicContact CE2-CE2 3.86Å; F98-F102 HydrophobicContact CZ-CD2 4.36Å; F98-F102 AromaticContact CZ-CE2 3.89Å; F98-F102 HydrophobicContact CZ-CE2 3.89Å; F98-F102 WeakPolarHBondContact O-CD2 3.33Å; F98-F102 PolarHBondContact O-N 3.25Å; F98-V111 HydrophobicContact CD1-CG1 3.59Å; F98-V111 HydrophobicContact CE1-CG1 3.84Å; F98-I113 HydrophobicContact CB-CD1 3.56Å; F98-I113 HydrophobicContact CD1-CD1 3.89Å; F98-I113 HydrophobicContact CD1-CG1 4.22Å; F98-I113 HydrophobicContact CD2-CD1 4.24Å; F98-I113 HydrophobicContact CE1-CG1 4.46Å; F98-I113 HydrophobicContact CG-CD1 3.66Å; F98-I113 HydrophobicContact CG-CG1 4.3Å; F98-I122 HydrophobicContact CD1-CD1 4.14Å; F98-I122 HydrophobicContact CE1-CB 3.84Å; F98-I122 HydrophobicContact CE1-CD1 3.69Å; F98-I122 HydrophobicContact CE1-CG1 4.32Å; F98-I122 HydrophobicContact CZ-CB 4.13Å; F98-I122 HydrophobicContact CZ-CD1 4.47Å; F98-I122 HydrophobicContact CZ-CG2 4.43Å
99K85.8Confident84.1Confident85 Ų8569.2 Ų69.237%0.3734%0.339SS..Hα-helixtrans-60.8-48.5172.2-84.9173.8168.5164.40111.5E95 E96 L101 F102 E103 P108 V111E95-K99 HydrophobicContact CG-CD 4.41Å; E95-K99 WeakPolarHBondContact O-CB 3.39Å; E95-K99 WeakPolarHBondContact O-CG 3.48Å; E95-K99 PolarHBondContact O-N 3.2Å; E95-K99 WeakPolarHBondContact OE1-CE 3.4Å; E95-K99 IonicContact OE1-NZ 2.71Å; E95-K99 PolarHBondContact OE1-NZ 3.44Å; E96-K99 PolarHBondContact O-N 3.35Å; K99-L101 PolarHBondContact O-N 2.97Å; K99-F102 CarbonylContact O-C 3.59Å; K99-F102 PolarHBondContact O-N 3.44Å; K99-E103 WeakPolarHBondContact O-CB 3.33Å; K99-E103 PolarHBondContact O-N 3.09Å; K99-P108 HydrophobicContact CG-CG 4.25Å; K99-V111 HydrophobicContact CG-CG2 4.1Å
100R85.8Confident83.8Confident179 Ų17972.3 Ų72.368%0.67535%0.353SS*.Hα-helixtrans-56.5-35.1176-74.2171.8177.4-83.21.4113E96 D97 F102E96-R100 WeakPolarHBondContact O-CB 3.4Å; E96-R100 VanDerWaalsContact O-CG 3.3Å; E96-R100 WeakPolarHBondContact O-CG 3.42Å; E96-R100 PolarHBondContact O-N 3.35Å; D97-R100 PolarHBondContact O-N 3.3Å; R100-F102 VanDerWaalsContact C-N 3.29Å; R100-F102 PolarHBondContact O-N 2.99Å
101L83.8Confident84.1Confident43 Ų4373.4 Ų73.423%0.22536%0.36CS..Hα-helixtrans-63.8-35.2176.1-136.180.6000112.5D97 F98 K99 Y105 L137 L142 L147D97-L101 PolarHBondContact O-N 3.49Å; F98-L101 WeakPolarHBondContact O-CB 3.47Å; F98-L101 PolarHBondContact O-N 3.23Å; K99-L101 PolarHBondContact O-N 2.97Å; L101-Y105 WeakPolarHBondContact O-CE2 3.48Å; L101-L137 HydrophobicContact CD2-CD1 4.39Å; L101-L137 HydrophobicContact CD2-CD2 4.17Å; L101-L137 HydrophobicContact CG-CD2 4.12Å; L101-L142 HydrophobicContact CD1-CD1 4.26Å; L101-L142 HydrophobicContact CD2-CD1 4.09Å; L101-L147 HydrophobicContact CD2-CD1 3.73Å
102F84.5Confident84.3Confident0 Ų074.1 Ų74.10%036%0.356CS..Hα-helixtrans-102.5-14.4-174.8-76.4-87000114.7L84 V86 F98 K99 R100 R104 Y105 I122 L124 A133 L137 I149L84-F102 HydrophobicContact CD1-CE1 4.02Å; V86-F102 HydrophobicContact CG2-CE2 4.01Å; V86-F102 HydrophobicContact CG2-CZ 3.65Å; F98-F102 HydrophobicContact CD2-CE2 4.32Å; F98-F102 HydrophobicContact CE1-CD2 4.39Å; F98-F102 HydrophobicContact CE1-CE2 4.37Å; F98-F102 HydrophobicContact CE2-CD2 4.48Å; F98-F102 AromaticContact CE2-CE2 3.86Å; F98-F102 HydrophobicContact CE2-CE2 3.86Å; F98-F102 HydrophobicContact CZ-CD2 4.36Å; F98-F102 AromaticContact CZ-CE2 3.89Å; F98-F102 HydrophobicContact CZ-CE2 3.89Å; F98-F102 WeakPolarHBondContact O-CD2 3.33Å; F98-F102 PolarHBondContact O-N 3.25Å; K99-F102 CarbonylContact O-C 3.59Å; K99-F102 PolarHBondContact O-N 3.44Å; R100-F102 VanDerWaalsContact C-N 3.29Å; R100-F102 PolarHBondContact O-N 2.99Å; F102-R104 PolarHBondContact O-N 3.3Å; F102-R104 VanDerWaalsContact O-N 3.17Å; F102-Y105 HydrophobicContact CD1-CD2 4.49Å; F102-Y105 CarbonylContact O-C 3.54Å; F102-Y105 WeakPolarHBondContact O-CA 3.2Å; F102-Y105 PolarHBondContact O-N 3.14Å; F102-I122 HydrophobicContact CB-CD1 3.48Å; F102-I122 VanDerWaalsContact CB-CD1 3.48Å; F102-I122 HydrophobicContact CD1-CD1 4.12Å; F102-I122 HydrophobicContact CD1-CG2 4.11Å; F102-I122 HydrophobicContact CD2-CD1 3.63Å; F102-I122 HydrophobicContact CE1-CG2 3.85Å; F102-I122 HydrophobicContact CE2-CD1 4.38Å; F102-I122 HydrophobicContact CE2-CG2 4.3Å; F102-I122 HydrophobicContact CG-CD1 3.48Å; F102-I122 VanDerWaalsContact CG-CD1 3.48Å; F102-I122 HydrophobicContact CG-CG1 4.47Å; F102-I122 HydrophobicContact CG-CG2 4.44Å; F102-I122 HydrophobicContact CZ-CG2 3.96Å; F102-L124 HydrophobicContact CD1-CD1 4.36Å; F102-A133 HydrophobicContact CD1-CB 4.09Å; F102-A133 HydrophobicContact CE1-CB 4.03Å; F102-L137 HydrophobicContact CD1-CD1 3.8Å; F102-L137 HydrophobicContact CD2-CD1 4.32Å; F102-L137 HydrophobicContact CE1-CD1 3.49Å; F102-L137 VanDerWaalsContact CE1-CD1 3.49Å; F102-L137 HydrophobicContact CE2-CD1 4.06Å; F102-L137 HydrophobicContact CG-CD1 4.21Å; F102-L137 HydrophobicContact CZ-CD1 3.63Å; F102-I149 HydrophobicContact CZ-CD1 3.97Å
103E83.9Confident84.5Confident131 Ų13170.8 Ų70.861%0.61234%0.337SS*.Hα-helixtrans-52.5-36.1179.4-176.2172.2-165.700112.9K99 Y105 G106K99-E103 WeakPolarHBondContact O-CB 3.33Å; K99-E103 PolarHBondContact O-N 3.09Å; E103-Y105 PolarHBondContact O-N 2.75Å; E103-G106 PolarHBondContact O-N 3.02Å
104R83.4Confident84.7Confident176 Ų17672.3 Ų72.366%0.66435%0.346SS*.THydrogen-bonded Turntrans-64-21.7175-166.3178.1-177.7-145.7-1.7113.9F102 E136F102-R104 PolarHBondContact O-N 3.3Å; F102-R104 VanDerWaalsContact O-N 3.17Å; R104-E136 IonicContact CZ-OE1 2.86Å; R104-E136 IonicContact NH1-OE1 3.24Å; R104-E136 PolarHBondContact NH1-OE1 2.77Å; R104-E136 IonicContact NH1-OE2 3.01Å
105Y81.6Confident84.6Confident13 Ų1376.4 Ų76.45%0.05136%0.355CS..THydrogen-bonded Turntrans-106.819.6179.8-44.9-81.7000112.2L101 F102 E103 L129 I132 A133 E136 L137L101-Y105 WeakPolarHBondContact O-CE2 3.48Å; F102-Y105 HydrophobicContact CD1-CD2 4.49Å; F102-Y105 CarbonylContact O-C 3.54Å; F102-Y105 WeakPolarHBondContact O-CA 3.2Å; F102-Y105 PolarHBondContact O-N 3.14Å; E103-Y105 PolarHBondContact O-N 2.75Å; Y105-L129 WeakPolarHBondContact O-CB 3.27Å; Y105-L129 WeakPolarHBondContact O-CD1 3.33Å; Y105-I132 HydrophobicContact CD1-CG2 3.84Å; Y105-I132 HydrophobicContact CE1-CG2 3.92Å; Y105-A133 HydrophobicContact CD1-CB 4.01Å; Y105-A133 HydrophobicContact CD2-CB 3.85Å; Y105-A133 HydrophobicContact CE2-CB 4.46Å; Y105-A133 HydrophobicContact CG-CB 3.6Å; Y105-E136 HydrophobicContact CE1-CB 4.27Å; Y105-E136 WeakPolarHBondContact CE1-OE2 3.41Å; Y105-E136 WeakPolarHBondContact OH-CG 3.36Å; Y105-E136 PolarHBondContact OH-OE1 2.86Å; Y105-E136 PolarHBondContact OH-OE2 2.77Å; Y105-L137 HydrophobicContact CD2-CD1 4.18Å; Y105-L137 HydrophobicContact CE2-CD1 3.66Å; Y105-L137 HydrophobicContact CE2-CD2 4.24Å; Y105-L137 HydrophobicContact CE2-CG 3.89Å
106G78.6Confident84.5Confident19 Ų1979.7 Ų79.720%0.19638%0.376CS..  trans102.3167.4177.500000114.1E103 P108E103-G106 PolarHBondContact O-N 3.02Å; G106-P108 WeakPolarHBondContact O-CD 3.49Å
107E80.3Confident84.3Confident154 Ų15481.8 Ų81.872%0.7238%0.378SS*.  trans-72.6126.5-177.6-166.4178.5168.200111S109E107-S109 PolarHBondContact O-N 2.97Å
108P84.8Confident84.2Confident21 Ų2178.9 Ų78.914%0.13636%0.364CS..  trans-83.1118.6178.531.3-33.1000111.7K99 G106 E110 V111 I122 R123K99-P108 HydrophobicContact CG-CG 4.25Å; G106-P108 WeakPolarHBondContact O-CD 3.49Å; P108-E110 VanDerWaalsContact C-N 3.32Å; P108-E110 PolarHBondContact O-N 2.78Å; P108-V111 HydrophobicContact CB-CG2 3.67Å; P108-V111 HydrophobicContact CG-CG2 3.63Å; P108-I122 HydrophobicContact CB-CD1 3.57Å; P108-I122 HydrophobicContact CB-CG1 3.51Å; P108-I122 HydrophobicContact CG-CD1 4.02Å; P108-I122 HydrophobicContact CG-CG1 4.47Å; P108-R123 CarbonylContact C-O 3.39Å; P108-R123 WeakPolarHBondContact CA-O 3.39Å
109S83.9Confident84.4Confident77 Ų7779.7 Ų79.754%0.53837%0.367SS..SBendtrans-69.2-28.6176.9165.60000113.3E107 R123E107-S109 PolarHBondContact O-N 2.97Å; S109-R123 PolarHBondContact N-O 2.9Å
110E81.6Confident84.6Confident68 Ų6875.6 Ų75.632%0.31835%0.35SS..EExtended strand (participates in β ladder)trans-137.6125178.7-167.9-170.7157.600108.5R83 P108 I122 R123R83-E110 IonicContact NH2-OE1 2.67Å; P108-E110 VanDerWaalsContact C-N 3.32Å; P108-E110 PolarHBondContact O-N 2.78Å; E110-I122 CarbonylContact O-C 3.58Å; E110-I122 WeakPolarHBondContact O-CA 3.48Å; E110-R123 HydrophobicContact CB-CB 3.72Å; E110-R123 PolarHBondContact O-N 2.96Å; E110-R123 IonicContact OE2-CZ 2.66Å; E110-R123 VanDerWaalsContact OE2-CZ 3.24Å; E110-R123 IonicContact OE2-NE 3.81Å; E110-R123 PolarHBondContact OE2-NE 2.77Å; E110-R123 IonicContact OE2-NH2 3.9Å; E110-R123 PolarHBondContact OE2-NH2 2.87Å
111V88Confident84.8Confident29 Ų2969 Ų6918%0.17633%0.326CS..EExtended strand (participates in β ladder)trans-125.3127.4173.2177.70000107.7E95 F98 K99 P108 I113 I122E95-V111 HydrophobicContact CG-CG1 3.78Å; F98-V111 HydrophobicContact CD1-CG1 3.59Å; F98-V111 HydrophobicContact CE1-CG1 3.84Å; K99-V111 HydrophobicContact CG-CG2 4.1Å; P108-V111 HydrophobicContact CB-CG2 3.67Å; P108-V111 HydrophobicContact CG-CG2 3.63Å; V111-I113 HydrophobicContact CG1-CD1 4.46Å; V111-I113 HydrophobicContact CG1-CG1 4.33Å; V111-I122 HydrophobicContact CG2-CD1 4.04Å; V111-I122 HydrophobicContact CG2-CG1 4.27Å
112F87.4Confident85.1Confident103 Ų10367 Ų6745%0.45232%0.315SS..EExtended strand (participates in β ladder)trans-137.6129177.2179.2-90.5000109.4N114 F119 G120 F121F112-N114 HydrophobicContact CE1-CB 4.08Å; F112-F119 HydrophobicContact CE1-CE2 4.48Å; F112-G120 CarbonylContact O-C 3.43Å; F112-G120 WeakPolarHBondContact O-CA 3.34Å; F112-F121 HydrophobicContact CB-CB 4.49Å; F112-F121 HydrophobicContact CD1-CD2 4.1Å; F112-F121 PolarHBondContact N-O 2.71Å; F112-F121 PolarHBondContact O-N 3.3Å
113I88.1Confident85.3Confident34 Ų3468.5 Ų68.517%0.17432%0.321CS..EExtended strand (participates in β ladder)trans-129124-179.3-55.3177.1000109.3L89 I93 E95 F98 V111 R115L89-I113 HydrophobicContact CD1-CG2 4.31Å; I93-I113 HydrophobicContact CG2-CG2 3.96Å; E95-I113 HydrophobicContact CB-CD1 4.32Å; E95-I113 HydrophobicContact CG-CD1 4.49Å; F98-I113 HydrophobicContact CB-CD1 3.56Å; F98-I113 HydrophobicContact CD1-CD1 3.89Å; F98-I113 HydrophobicContact CD1-CG1 4.22Å; F98-I113 HydrophobicContact CD2-CD1 4.24Å; F98-I113 HydrophobicContact CE1-CG1 4.46Å; F98-I113 HydrophobicContact CG-CD1 3.66Å; F98-I113 HydrophobicContact CG-CG1 4.3Å; V111-I113 HydrophobicContact CG1-CD1 4.46Å; V111-I113 HydrophobicContact CG1-CG1 4.33Å; I113-R115 HydrophobicContact CG2-CG 4.14Å
114N87.6Confident85.5Confident40 Ų4062.2 Ų62.221%0.21429%0.292CS..EExtended strand (participates in β ladder)trans-104.697.1172.2-171.8-45.9000108.8F112 D116 R117 G118 F119F112-N114 HydrophobicContact CE1-CB 4.08Å; N114-D116 PolarHBondContact OD1-N 2.99Å; N114-R117 PolarHBondContact OD1-N 3.06Å; N114-G118 PolarHBondContact O-N 3.24Å; N114-F119 CarbonylContact C-O 3.53Å; N114-F119 WeakPolarHBondContact CA-O 3.35Å; N114-F119 HydrophobicContact CB-CD1 4.4Å; N114-F119 HydrophobicContact CB-CD2 4.28Å; N114-F119 HydrophobicContact CB-CE1 4.01Å; N114-F119 HydrophobicContact CB-CE2 3.85Å; N114-F119 HydrophobicContact CB-CZ 3.7Å; N114-F119 PolarHBondContact N-O 3.44Å; N114-F119 PolarHBondContact O-N 2.83Å; N114-F119 VanDerWaalsContact O-N 3.14Å
115R83.8Confident85.5Confident134 Ų13456.8 Ų56.851%0.50627%0.274SS..THydrogen-bonded Turntrans-68-38.2-176.8-58.2-174.9-166.7174.44.8111.6I113 R117 G118I113-R115 HydrophobicContact CG2-CG 4.14Å; R115-R117 VanDerWaalsContact C-N 3.27Å; R115-R117 PolarHBondContact O-N 3.17Å; R115-G118 PolarHBondContact O-N 2.84Å
116D83.5Confident85.5Confident157 Ų15756.5 Ų56.584%0.8427%0.273SS*.THydrogen-bonded Turntrans-58.8-36179.7-53.8-96.3000113.1N114N114-D116 PolarHBondContact OD1-N 2.99Å
117R82.6Confident85.8Confident186 Ų18660 Ų6070%0.70228%0.281SS*.THydrogen-bonded Turntrans-104.74.2179.2-67.3-174.560.9-149.3-6113.7N114 R115 F119N114-R117 PolarHBondContact OD1-N 3.06Å; R115-R117 VanDerWaalsContact C-N 3.27Å; R115-R117 PolarHBondContact O-N 3.17Å; R117-F119 VanDerWaalsContact C-N 3.35Å; R117-F119 HydrophobicContact CB-CD1 3.48Å; R117-F119 VanDerWaalsContact CB-CD1 3.48Å; R117-F119 HydrophobicContact CB-CE1 3.35Å; R117-F119 HydrophobicContact CG-CE1 4.14Å; R117-F119 PolarHBondContact O-N 3.18Å
118G84.8Confident86Confident6 Ų655.6 Ų55.66%0.06227%0.265CS..THydrogen-bonded Turntrans56.741.917800000114N88 L89 N114 R115N88-G118 CarbonylContact C-O 3.57Å; N88-G118 PolarHBondContact N-O 3.17Å; L89-G118 PolarHBondContact N-O 3.16Å; L89-G118 WeakPolarHBondContact O-CA 3.46Å; N114-G118 PolarHBondContact O-N 3.24Å; R115-G118 PolarHBondContact O-N 2.84Å
119F88.6Confident86Confident18 Ų1854.8 Ų54.88%0.07926%0.259CS..EExtended strand (participates in β ladder)trans-142.6159173.674-99.4000112.5F85 V86 F112 N114 R117 F121F85-F119 HydrophobicContact CD2-CB 4.48Å; F85-F119 HydrophobicContact CD2-CD2 4.24Å; F85-F119 HydrophobicContact CE2-CB 3.54Å; F85-F119 HydrophobicContact CE2-CD1 4.41Å; F85-F119 AromaticContact CE2-CD2 3.65Å; F85-F119 HydrophobicContact CE2-CD2 3.65Å; F85-F119 AromaticContact CE2-CG 3.61Å; F85-F119 HydrophobicContact CE2-CG 3.61Å; F85-F119 HydrophobicContact CZ-CB 3.75Å; F85-F119 HydrophobicContact CZ-CG 4.19Å; V86-F119 CarbonylContact O-C 3.56Å; V86-F119 WeakPolarHBondContact O-CA 3.23Å; F112-F119 HydrophobicContact CE1-CE2 4.48Å; N114-F119 CarbonylContact C-O 3.53Å; N114-F119 WeakPolarHBondContact CA-O 3.35Å; N114-F119 HydrophobicContact CB-CD1 4.4Å; N114-F119 HydrophobicContact CB-CD2 4.28Å; N114-F119 HydrophobicContact CB-CE1 4.01Å; N114-F119 HydrophobicContact CB-CE2 3.85Å; N114-F119 HydrophobicContact CB-CZ 3.7Å; N114-F119 PolarHBondContact N-O 3.44Å; N114-F119 PolarHBondContact O-N 2.83Å; N114-F119 VanDerWaalsContact O-N 3.14Å; R117-F119 VanDerWaalsContact C-N 3.35Å; R117-F119 HydrophobicContact CB-CD1 3.48Å; R117-F119 VanDerWaalsContact CB-CD1 3.48Å; R117-F119 HydrophobicContact CB-CE1 3.35Å; R117-F119 HydrophobicContact CG-CE1 4.14Å; R117-F119 PolarHBondContact O-N 3.18Å; F119-F121 HydrophobicContact CD2-CD2 4.37Å; F119-F121 HydrophobicContact CD2-CE2 4.07Å; F119-F121 HydrophobicContact CE2-CD2 4.12Å; F119-F121 AromaticContact CE2-CE2 3.63Å; F119-F121 HydrophobicContact CE2-CE2 3.63Å; F119-F121 HydrophobicContact CE2-CZ 4.46Å
120G90.1Very high86.1Confident0 Ų051.1 Ų51.10%023%0.234CC..EExtended strand (participates in β ladder)trans-135.5172.4172.100000112.4V86 F112V86-G120 PolarHBondContact N-O 2.69Å; V86-G120 PolarHBondContact O-N 3.49Å; F112-G120 CarbonylContact O-C 3.43Å; F112-G120 WeakPolarHBondContact O-CA 3.34Å
121F89.9Confident86.3Confident41 Ų4151.4 Ų51.418%0.1824%0.235CC..EExtended strand (participates in β ladder)trans-128.1142.2166.5-66.9-80.3000108.9R83 L84 F85 F112 F119 A152R83-F121 VanDerWaalsContact NH2-CG 3.27Å; L84-F121 VanDerWaalsContact O-CA 3.25Å; L84-F121 WeakPolarHBondContact O-CA 3.2Å; F85-F121 HydrophobicContact CB-CD1 4.02Å; F85-F121 HydrophobicContact CB-CE1 3.83Å; F85-F121 HydrophobicContact CD2-CD1 4.11Å; F85-F121 AromaticContact CD2-CE1 3.57Å; F85-F121 HydrophobicContact CD2-CE1 3.57Å; F85-F121 HydrophobicContact CD2-CE2 4.45Å; F85-F121 AromaticContact CD2-CZ 3.76Å; F85-F121 HydrophobicContact CD2-CZ 3.76Å; F85-F121 HydrophobicContact CE2-CZ 4.42Å; F85-F121 HydrophobicContact CG-CE1 4.17Å; F112-F121 HydrophobicContact CB-CB 4.49Å; F112-F121 HydrophobicContact CD1-CD2 4.1Å; F112-F121 PolarHBondContact N-O 2.71Å; F112-F121 PolarHBondContact O-N 3.3Å; F119-F121 HydrophobicContact CD2-CD2 4.37Å; F119-F121 HydrophobicContact CD2-CE2 4.07Å; F119-F121 HydrophobicContact CE2-CD2 4.12Å; F119-F121 AromaticContact CE2-CE2 3.63Å; F119-F121 HydrophobicContact CE2-CE2 3.63Å; F119-F121 HydrophobicContact CE2-CZ 4.46Å; F121-A152 HydrophobicContact CD1-CB 3.85Å; F121-A152 HydrophobicContact CE1-CB 3.83Å
122I89.7Confident86.3Confident0 Ų052.9 Ų52.90%024%0.241CC..EExtended strand (participates in β ladder)trans-133.5140.2173.8-169.1147.1000109.8R83 L84 V86 F98 F102 P108 E110 V111 L124R83-I122 CarbonylContact C-O 3.5Å; R83-I122 VanDerWaalsContact CA-O 3.27Å; R83-I122 WeakPolarHBondContact CA-O 3.17Å; L84-I122 HydrophobicContact CB-CG2 3.82Å; L84-I122 HydrophobicContact CD1-CG2 4.4Å; L84-I122 PolarHBondContact N-O 2.74Å; L84-I122 PolarHBondContact O-N 3.17Å; V86-I122 HydrophobicContact CG2-CG2 4.35Å; F98-I122 HydrophobicContact CD1-CD1 4.14Å; F98-I122 HydrophobicContact CE1-CB 3.84Å; F98-I122 HydrophobicContact CE1-CD1 3.69Å; F98-I122 HydrophobicContact CE1-CG1 4.32Å; F98-I122 HydrophobicContact CZ-CB 4.13Å; F98-I122 HydrophobicContact CZ-CD1 4.47Å; F98-I122 HydrophobicContact CZ-CG2 4.43Å; F102-I122 HydrophobicContact CB-CD1 3.48Å; F102-I122 VanDerWaalsContact CB-CD1 3.48Å; F102-I122 HydrophobicContact CD1-CD1 4.12Å; F102-I122 HydrophobicContact CD1-CG2 4.11Å; F102-I122 HydrophobicContact CD2-CD1 3.63Å; F102-I122 HydrophobicContact CE1-CG2 3.85Å; F102-I122 HydrophobicContact CE2-CD1 4.38Å; F102-I122 HydrophobicContact CE2-CG2 4.3Å; F102-I122 HydrophobicContact CG-CD1 3.48Å; F102-I122 VanDerWaalsContact CG-CD1 3.48Å; F102-I122 HydrophobicContact CG-CG1 4.47Å; F102-I122 HydrophobicContact CG-CG2 4.44Å; F102-I122 HydrophobicContact CZ-CG2 3.96Å; P108-I122 HydrophobicContact CB-CD1 3.57Å; P108-I122 HydrophobicContact CB-CG1 3.51Å; P108-I122 HydrophobicContact CG-CD1 4.02Å; P108-I122 HydrophobicContact CG-CG1 4.47Å; E110-I122 CarbonylContact O-C 3.58Å; E110-I122 WeakPolarHBondContact O-CA 3.48Å; V111-I122 HydrophobicContact CG2-CD1 4.04Å; V111-I122 HydrophobicContact CG2-CG1 4.27Å; I122-L124 HydrophobicContact CG1-CD2 4.48Å
123R88.6Confident86.4Confident31 Ų3148 Ų4812%0.11722%0.22CC..EExtended strand (participates in β ladder)trans-115.7109.5177.4-174.9-163.6-69-1092.7109.1Y78 Q80 R83 P108 S109 E110 E183Y78-R123 WeakPolarHBondContact O-CD 3.45Å; Y78-R123 PolarHBondContact O-NH1 2.87Å; Q80-R123 VanDerWaalsContact NE2-NH2 3.15Å; R83-R123 HydrophobicContact CG-CB 4.49Å; P108-R123 CarbonylContact C-O 3.39Å; P108-R123 WeakPolarHBondContact CA-O 3.39Å; S109-R123 PolarHBondContact N-O 2.9Å; E110-R123 HydrophobicContact CB-CB 3.72Å; E110-R123 PolarHBondContact O-N 2.96Å; E110-R123 IonicContact OE2-CZ 2.66Å; E110-R123 VanDerWaalsContact OE2-CZ 3.24Å; E110-R123 IonicContact OE2-NE 3.81Å; E110-R123 PolarHBondContact OE2-NE 2.77Å; E110-R123 IonicContact OE2-NH2 3.9Å; E110-R123 PolarHBondContact OE2-NH2 2.87Å; R123-E183 IonicContact NH1-OE1 3.97Å
124L88.4Confident86.4Confident0 Ų047.7 Ų47.70%022%0.217CC..  trans-89165.9178.5-64.2167.7000110.8Y78 C82 L84 F102 I122 A130 A133Y78-L124 WeakPolarHBondContact CD1-O 3.5Å; C82-L124 WeakPolarHBondContact CB-O 3.46Å; C82-L124 PolarHBondContact O-N 3.36Å; L84-L124 HydrophobicContact CD1-CD1 3.93Å; F102-L124 HydrophobicContact CD1-CD1 4.36Å; I122-L124 HydrophobicContact CG1-CD2 4.48Å; L124-A130 HydrophobicContact CD1-CB 4.12Å; L124-A133 HydrophobicContact CD1-CB 3.81Å
125E84.1Confident86.3Confident61 Ų6149.8 Ų49.829%0.28524%0.24SC..SBendtrans-63.9-48.4-177.8-173.9174.9-149.800112.4T77 Y78 L129T77-E125 CarbonylContact C-O 3.51Å; T77-E125 WeakPolarHBondContact CA-O 3.35Å; T77-E125 WeakPolarHBondContact CB-O 3.37Å; T77-E125 HydrophobicContact CG2-CG 3.61Å; Y78-E125 HydrophobicContact CD1-CB 4.34Å; Y78-E125 HydrophobicContact CD2-CG 4.44Å; Y78-E125 HydrophobicContact CE1-CB 3.71Å; Y78-E125 HydrophobicContact CE1-CG 4.29Å; Y78-E125 HydrophobicContact CE2-CB 4.19Å; Y78-E125 HydrophobicContact CE2-CG 3.83Å; Y78-E125 PolarHBondContact N-O 2.87Å; E125-L129 HydrophobicContact CB-CD1 4.25Å
126S81.9Confident86.5Confident7 Ų748 Ų485%0.04924%0.237CC..  trans-122.7150.9-173.5178.80000112.1T128 L129 A130S126-T128 VanDerWaalsContact C-N 3.26Å; S126-T128 PolarHBondContact O-N 3.43Å; S126-T128 PolarHBondContact OG-N 3.04Å; S126-L129 WeakPolarHBondContact O-CB 3.44Å; S126-L129 PolarHBondContact O-N 3.35Å; S126-A130 PolarHBondContact O-N 3.5Å; S126-A130 VanDerWaalsContact O-N 3.1Å
127R83.4Confident86.6Confident92 Ų9241.1 Ų41.135%0.34720%0.201SC..Hα-helixtrans-60.5-39.1173.9178.9-177.1164.2174.5-1110.9C82 L129 A130 E131C82-R127 PolarHBondContact SG-N 2.81Å; R127-L129 VanDerWaalsContact C-N 3.3Å; R127-L129 PolarHBondContact O-N 2.87Å; R127-A130 CarbonylContact O-C 3.54Å; R127-A130 WeakPolarHBondContact O-CA 3.34Å; R127-A130 WeakPolarHBondContact O-CB 3.48Å; R127-A130 PolarHBondContact O-N 3.16Å; R127-A130 VanDerWaalsContact O-N 3.1Å; R127-E131 HydrophobicContact CG-CG 4.42Å; R127-E131 IonicContact CZ-OE1 2.74Å; R127-E131 IonicContact NE-OE1 2.59Å; R127-E131 PolarHBondContact NE-OE1 2.8Å; R127-E131 IonicContact NH2-OE1 3.56Å; R127-E131 PolarHBondContact NH2-OE1 3.18Å; R127-E131 WeakPolarHBondContact O-CG 3.44Å; R127-E131 PolarHBondContact O-N 3.4Å
128T84.3Confident86.8Confident62 Ų6235 Ų3538%0.3818%0.182SC..Hα-helixtrans-61.5-40.4178.7-49.60000111.4S126 A130 E131 I132S126-T128 VanDerWaalsContact C-N 3.26Å; S126-T128 PolarHBondContact O-N 3.43Å; S126-T128 PolarHBondContact OG-N 3.04Å; T128-A130 VanDerWaalsContact C-N 3.34Å; T128-E131 PolarHBondContact O-N 2.98Å; T128-I132 HydrophobicContact CG2-CD1 4.13Å; T128-I132 VanDerWaalsContact O-CG1 3.27Å; T128-I132 WeakPolarHBondContact O-CG1 3.43Å; T128-I132 PolarHBondContact O-N 2.91Å
129L85.3Confident86.8Confident5 Ų536.7 Ų36.73%0.02620%0.199CC..Hα-helixtrans-65-39174.1-68169.7000111.7I67 Y105 E125 S126 R127 I132 A133I67-L129 HydrophobicContact CD1-CD1 3.85Å; I67-L129 HydrophobicContact CD1-CD2 3.95Å; I67-L129 HydrophobicContact CD1-CG 4.37Å; I67-L129 HydrophobicContact CG1-CD1 4.09Å; I67-L129 HydrophobicContact CG1-CD2 3.92Å; I67-L129 HydrophobicContact CG1-CG 4.24Å; I67-L129 HydrophobicContact CG2-CD1 4.15Å; Y105-L129 WeakPolarHBondContact O-CB 3.27Å; Y105-L129 WeakPolarHBondContact O-CD1 3.33Å; E125-L129 HydrophobicContact CB-CD1 4.25Å; S126-L129 WeakPolarHBondContact O-CB 3.44Å; S126-L129 PolarHBondContact O-N 3.35Å; R127-L129 VanDerWaalsContact C-N 3.3Å; R127-L129 PolarHBondContact O-N 2.87Å; L129-I132 PolarHBondContact O-N 3.28Å; L129-A133 WeakPolarHBondContact O-CB 3.16Å; L129-A133 PolarHBondContact O-N 2.95Å
130A86.6Confident86.7Confident0 Ų038.2 Ų38.20%021%0.21CC..Hα-helixtrans-66.6-34.9174.100000113.1L84 L124 S126 R127 T128 K134 F151L84-A130 HydrophobicContact CD1-CB 4.17Å; L84-A130 HydrophobicContact CD2-CB 4.03Å; L84-A130 HydrophobicContact CG-CB 3.98Å; L124-A130 HydrophobicContact CD1-CB 4.12Å; S126-A130 PolarHBondContact O-N 3.5Å; S126-A130 VanDerWaalsContact O-N 3.1Å; R127-A130 CarbonylContact O-C 3.54Å; R127-A130 WeakPolarHBondContact O-CA 3.34Å; R127-A130 WeakPolarHBondContact O-CB 3.48Å; R127-A130 PolarHBondContact O-N 3.16Å; R127-A130 VanDerWaalsContact O-N 3.1Å; T128-A130 VanDerWaalsContact C-N 3.34Å; A130-K134 WeakPolarHBondContact O-CB 3.23Å; A130-K134 PolarHBondContact O-N 3.18Å; A130-F151 HydrophobicContact CB-CE1 3.87Å; A130-F151 HydrophobicContact CB-CZ 4.5Å
131E86.3Confident86.4Confident73 Ų7344.1 Ų44.134%0.34124%0.24SC..Hα-helixtrans-67-44.7173.2-72.9172.6165.700111.7R127 T128 A135 F151R127-E131 HydrophobicContact CG-CG 4.42Å; R127-E131 IonicContact CZ-OE1 2.74Å; R127-E131 IonicContact NE-OE1 2.59Å; R127-E131 PolarHBondContact NE-OE1 2.8Å; R127-E131 IonicContact NH2-OE1 3.56Å; R127-E131 PolarHBondContact NH2-OE1 3.18Å; R127-E131 WeakPolarHBondContact O-CG 3.44Å; R127-E131 PolarHBondContact O-N 3.4Å; T128-E131 PolarHBondContact O-N 2.98Å; E131-A135 WeakPolarHBondContact O-CB 3.37Å; E131-A135 PolarHBondContact O-N 2.87Å; E131-F151 HydrophobicContact CB-CZ 4.48Å; E131-F151 HydrophobicContact CG-CE1 4.47Å; E131-F151 HydrophobicContact CG-CE2 4.3Å; E131-F151 HydrophobicContact CG-CZ 3.58Å
132I88.1Confident85.8Confident60 Ų6044.1 Ų44.131%0.30824%0.242SC..Hα-helixtrans-64.7-51.3175.9-63.5161.7000110.7Y105 T128 L129 K134 A135 E136Y105-I132 HydrophobicContact CD1-CG2 3.84Å; Y105-I132 HydrophobicContact CE1-CG2 3.92Å; T128-I132 HydrophobicContact CG2-CD1 4.13Å; T128-I132 VanDerWaalsContact O-CG1 3.27Å; T128-I132 WeakPolarHBondContact O-CG1 3.43Å; T128-I132 PolarHBondContact O-N 2.91Å; L129-I132 PolarHBondContact O-N 3.28Å; I132-K134 VanDerWaalsContact C-N 3.29Å; I132-K134 PolarHBondContact O-N 3.13Å; I132-A135 PolarHBondContact O-N 3.49Å; I132-E136 PolarHBondContact O-N 2.83Å
133A88Confident85.1Confident0 Ų050.5 Ų50.50%027%0.27CS..Hα-helixtrans-60.2-39.3-179.800000111.8L84 F102 Y105 L124 L129 L137L84-A133 HydrophobicContact CD1-CB 4.1Å; F102-A133 HydrophobicContact CD1-CB 4.09Å; F102-A133 HydrophobicContact CE1-CB 4.03Å; Y105-A133 HydrophobicContact CD1-CB 4.01Å; Y105-A133 HydrophobicContact CD2-CB 3.85Å; Y105-A133 HydrophobicContact CE2-CB 4.46Å; Y105-A133 HydrophobicContact CG-CB 3.6Å; L124-A133 HydrophobicContact CD1-CB 3.81Å; L129-A133 WeakPolarHBondContact O-CB 3.16Å; L129-A133 PolarHBondContact O-N 2.95Å; A133-L137 WeakPolarHBondContact O-CB 3.21Å; A133-L137 WeakPolarHBondContact O-CG 3.49Å; A133-L137 PolarHBondContact O-N 3.12Å
134K88.1Confident84.6Confident28 Ų2854.4 Ų54.412%0.12230%0.301CS..Hα-helixtrans-60.8-51.9170.8179.1-165.4161.5-156.20110.8L84 A130 I132 E136 D138 I149 F151 E241L84-K134 HydrophobicContact CD2-CB 4.21Å; A130-K134 WeakPolarHBondContact O-CB 3.23Å; A130-K134 PolarHBondContact O-N 3.18Å; I132-K134 VanDerWaalsContact C-N 3.29Å; I132-K134 PolarHBondContact O-N 3.13Å; K134-E136 VanDerWaalsContact C-N 3.33Å; K134-E136 PolarHBondContact O-N 3.38Å; K134-D138 WeakPolarHBondContact O-CB 3.47Å; K134-D138 PolarHBondContact O-N 2.89Å; K134-I149 HydrophobicContact CB-CG2 4.02Å; K134-I149 HydrophobicContact CG-CB 4.38Å; K134-I149 HydrophobicContact CG-CG2 4.05Å; K134-F151 HydrophobicContact CD-CD2 4.2Å; K134-F151 HydrophobicContact CD-CE2 3.72Å; K134-F151 HydrophobicContact CD-CZ 4.43Å; K134-E241 IonicContact NZ-OE1 3.55Å; K134-E241 PolarHBondContact NZ-OE1 3.03Å; K134-E241 IonicContact NZ-OE2 3.12Å; K134-E241 PolarHBondContact NZ-OE2 3.04Å
135A86.6Confident84.3Confident84 Ų8458.3 Ų58.369%0.69432%0.316SS*.Hα-helixtrans-64.2-33.7-174.800000113.9E131 I132E131-A135 WeakPolarHBondContact O-CB 3.37Å; E131-A135 PolarHBondContact O-N 2.87Å; I132-A135 PolarHBondContact O-N 3.49Å
136E87.2Confident84.4Confident96 Ų9658.6 Ų58.645%0.44932%0.324SS..Hα-helixtrans-89.1-30.7-178.5-164.7171.2169.600113.1R104 Y105 I132 K134R104-E136 IonicContact CZ-OE1 2.86Å; R104-E136 IonicContact NH1-OE1 3.24Å; R104-E136 PolarHBondContact NH1-OE1 2.77Å; R104-E136 IonicContact NH1-OE2 3.01Å; Y105-E136 HydrophobicContact CE1-CB 4.27Å; Y105-E136 WeakPolarHBondContact CE1-OE2 3.41Å; Y105-E136 WeakPolarHBondContact OH-CG 3.36Å; Y105-E136 PolarHBondContact OH-OE1 2.86Å; Y105-E136 PolarHBondContact OH-OE2 2.77Å; I132-E136 PolarHBondContact O-N 2.83Å; K134-E136 VanDerWaalsContact C-N 3.33Å; K134-E136 PolarHBondContact O-N 3.38Å
137L86.3Confident84.7Confident14 Ų1458.4 Ų58.47%0.07332%0.322CS..Hα-helixtrans-99.5-18.9-177.6-61.1172.5000114.5L101 F102 Y105 A133 T140 I149L101-L137 HydrophobicContact CD2-CD1 4.39Å; L101-L137 HydrophobicContact CD2-CD2 4.17Å; L101-L137 HydrophobicContact CG-CD2 4.12Å; F102-L137 HydrophobicContact CD1-CD1 3.8Å; F102-L137 HydrophobicContact CD2-CD1 4.32Å; F102-L137 HydrophobicContact CE1-CD1 3.49Å; F102-L137 VanDerWaalsContact CE1-CD1 3.49Å; F102-L137 HydrophobicContact CE2-CD1 4.06Å; F102-L137 HydrophobicContact CG-CD1 4.21Å; F102-L137 HydrophobicContact CZ-CD1 3.63Å; Y105-L137 HydrophobicContact CD2-CD1 4.18Å; Y105-L137 HydrophobicContact CE2-CD1 3.66Å; Y105-L137 HydrophobicContact CE2-CD2 4.24Å; Y105-L137 HydrophobicContact CE2-CG 3.89Å; A133-L137 WeakPolarHBondContact O-CB 3.21Å; A133-L137 WeakPolarHBondContact O-CG 3.49Å; A133-L137 PolarHBondContact O-N 3.12Å; L137-T140 VanDerWaalsContact O-CB 3.23Å; L137-T140 WeakPolarHBondContact O-CB 3.47Å; L137-T140 PolarHBondContact O-N 3.23Å; L137-T140 PolarHBondContact O-OG1 2.91Å; L137-I149 HydrophobicContact CB-CD1 3.27Å; L137-I149 HydrophobicContact CD1-CD1 4.35Å; L137-I149 HydrophobicContact CG-CD1 4.47Å
138D87.4Confident84.9Confident57 Ų5759.4 Ų59.431%0.30533%0.326SS..THydrogen-bonded Turntrans-63.3135.8175.5-169.4-142.6000110.9K134 T140 R148 I149 R150K134-D138 WeakPolarHBondContact O-CB 3.47Å; K134-D138 PolarHBondContact O-N 2.89Å; D138-T140 PolarHBondContact O-N 2.75Å; D138-R148 VanDerWaalsContact OD2-CA 3.3Å; D138-R148 WeakPolarHBondContact OD2-CA 3.37Å; D138-I149 HydrophobicContact CB-CB 4.19Å; D138-I149 PolarHBondContact OD2-N 3.34Å; D138-R150 VanDerWaalsContact CG-NH1 3.26Å; D138-R150 IonicContact OD1-CZ 2.87Å; D138-R150 IonicContact OD1-NH1 2.75Å; D138-R150 PolarHBondContact OD1-NH1 3.16Å; D138-R150 IonicContact OD1-NH2 2.8Å; D138-R150 IonicContact OD2-NH1 3.31Å; D138-R150 PolarHBondContact OD2-NH1 3.09Å
139G84.8Confident85.1Confident41 Ų4156.5 Ų56.542%0.42331%0.308SS..THydrogen-bonded Turntrans75.7-7.7-174.200000115.7I141 L147G139-I141 PolarHBondContact O-N 2.99Å; G139-L147 WeakPolarHBondContact CA-O 3.29Å; G139-L147 PolarHBondContact N-O 3.22Å
140T85.1Confident85.2Confident51 Ų5158.3 Ų58.331%0.31331%0.314SS..  trans-58.7126.7178.7-69.70000111.2L137 D138 L142 P146 L147L137-T140 VanDerWaalsContact O-CB 3.23Å; L137-T140 WeakPolarHBondContact O-CB 3.47Å; L137-T140 PolarHBondContact O-N 3.23Å; L137-T140 PolarHBondContact O-OG1 2.91Å; D138-T140 PolarHBondContact O-N 2.75Å; T140-L142 PolarHBondContact O-N 2.78Å; T140-P146 WeakPolarHBondContact O-CA 3.26Å; T140-L147 WeakPolarHBondContact O-CG 3.3Å; T140-L147 PolarHBondContact O-N 2.66Å
141I84.1Confident85.3Confident124 Ų12461.1 Ų61.164%0.63633%0.327SS*.EExtended strand (participates in β ladder)trans-83.9100-176.9-54.5177.5000110.2G139 R145G139-I141 PolarHBondContact O-N 2.99Å; I141-R145 WeakPolarHBondContact CA-O 3.42Å
142L77.6Confident85.1Confident41 Ų4158.2 Ų58.222%0.21532%0.315CS..EExtended strand (participates in β ladder)trans-96.4123.6169.1-88.4-178.6000110.7I93 L101 T140 S144 R145 L147I93-L142 HydrophobicContact CD1-CD1 3.99Å; L101-L142 HydrophobicContact CD1-CD1 4.26Å; L101-L142 HydrophobicContact CD2-CD1 4.09Å; T140-L142 PolarHBondContact O-N 2.78Å; L142-S144 VanDerWaalsContact C-N 3.28Å; L142-S144 PolarHBondContact O-N 3.15Å; L142-R145 PolarHBondContact N-O 3.22Å; L142-R145 PolarHBondContact O-N 2.83Å; L142-R145 VanDerWaalsContact O-O 3.12Å; L142-L147 HydrophobicContact CB-CD2 4.41Å; L142-L147 HydrophobicContact CD1-CD1 3.93Å; L142-L147 HydrophobicContact CD1-CD2 4.24Å; L142-L147 HydrophobicContact CD1-CG 4.31Å; L142-L147 HydrophobicContact CG-CD1 4.46Å
143K74.5Confident84.6Confident134 Ų13460.5 Ų60.558%0.58333%0.332SS*.THydrogen-bonded Turntrans47.648.5176.1-59.4-178.6179.6177.90112.5P90 D92 R145P90-K143 HydrophobicContact CB-CB 4.42Å; P90-K143 HydrophobicContact CB-CD 4.27Å; P90-K143 HydrophobicContact CG-CD 4.23Å; D92-K143 HydrophobicContact CB-CD 4.43Å; D92-K143 PolarHBondContact O-NZ 3.24Å; K143-R145 VanDerWaalsContact C-N 3.31Å; K143-R145 PolarHBondContact O-N 2.75Å
144S79.3Confident84.2Confident112 Ų11261.1 Ų61.178%0.78333%0.334SS*.THydrogen-bonded Turntrans67.913-177.2-161.60000116.8L142L142-S144 VanDerWaalsContact C-N 3.28Å; L142-S144 PolarHBondContact O-N 3.15Å
145R81.4Confident83.6Confident83 Ų8362.2 Ų62.231%0.31335%0.354SS..EExtended strand (participates in β ladder)trans-122126.4174.7-65.9176.167.8-167.5-6.1110.4N88 L89 I141 L142 K143 L147N88-R145 PolarHBondContact O-NE 3.37Å; N88-R145 PolarHBondContact O-NH2 3.3Å; N88-R145 PolarHBondContact OD1-NE 2.71Å; N88-R145 PolarHBondContact OD1-NH2 2.74Å; L89-R145 PolarHBondContact O-NH1 2.73Å; L89-R145 PolarHBondContact O-NH2 2.91Å; I141-R145 WeakPolarHBondContact CA-O 3.42Å; L142-R145 PolarHBondContact N-O 3.22Å; L142-R145 PolarHBondContact O-N 2.83Å; L142-R145 VanDerWaalsContact O-O 3.12Å; K143-R145 VanDerWaalsContact C-N 3.31Å; K143-R145 PolarHBondContact O-N 2.75Å; R145-L147 PolarHBondContact O-N 3.29Å
146P86.3Confident83.6Confident67 Ų6758.4 Ų58.444%0.43532%0.323SS..EExtended strand (participates in β ladder)trans-70.5126.2173.328.5-32.8000109.6N88 T140N88-P146 WeakPolarHBondContact CB-O 3.49Å; N88-P146 PolarHBondContact ND2-O 3.45Å; T140-P146 WeakPolarHBondContact O-CA 3.26Å
147L88.9Confident83.7Confident3 Ų354.2 Ų54.22%0.01630%0.304CS..  trans-63.1147.9170.2-64.6-173.3000110.3V86 L89 L101 G139 T140 L142 R145V86-L147 HydrophobicContact CG1-CD1 4.49Å; V86-L147 HydrophobicContact CG1-CD2 4.45Å; L89-L147 HydrophobicContact CD2-CD2 3.68Å; L89-L147 HydrophobicContact CG-CD2 4.44Å; L101-L147 HydrophobicContact CD2-CD1 3.73Å; G139-L147 WeakPolarHBondContact CA-O 3.29Å; G139-L147 PolarHBondContact N-O 3.22Å; T140-L147 WeakPolarHBondContact O-CG 3.3Å; T140-L147 PolarHBondContact O-N 2.66Å; L142-L147 HydrophobicContact CB-CD2 4.41Å; L142-L147 HydrophobicContact CD1-CD1 3.93Å; L142-L147 HydrophobicContact CD1-CD2 4.24Å; L142-L147 HydrophobicContact CD1-CG 4.31Å; L142-L147 HydrophobicContact CG-CD1 4.46Å; R145-L147 PolarHBondContact O-N 3.29Å
148R86.6Confident84Confident113 Ų11353.9 Ų53.943%0.42630%0.302SS..EExtended strand (participates in β ladder)trans-121.3111.8171.1-172.6-179.5-174169.67.1109.8V86 G87 D138 D242V86-R148 CarbonylContact C-O 3.47Å; G87-R148 PolarHBondContact N-O 3.25Å; G87-R148 PolarHBondContact O-N 3.42Å; D138-R148 VanDerWaalsContact OD2-CA 3.3Å; D138-R148 WeakPolarHBondContact OD2-CA 3.37Å; R148-D242 IonicContact CZ-OD1 3.98Å; R148-D242 IonicContact CZ-OD2 2.73Å; R148-D242 IonicContact NE-OD1 2.69Å; R148-D242 IonicContact NE-OD2 3.8Å; R148-D242 IonicContact NH2-OD1 3.76Å; R148-D242 PolarHBondContact NH2-OD1 2.93Å; R148-D242 IonicContact NH2-OD2 3.35Å; R148-D242 PolarHBondContact NH2-OD2 2.96Å
149I89.8Confident84.2Confident0 Ų052.7 Ų52.70%030%0.297CS..EExtended strand (participates in β ladder)trans-112.2127.1-176.5-57.2176.5000109.9L84 F85 V86 F102 K134 L137 D138L84-I149 HydrophobicContact CB-CG2 4.15Å; L84-I149 HydrophobicContact CD1-CG2 3.97Å; L84-I149 HydrophobicContact CD2-CG2 4.22Å; L84-I149 HydrophobicContact CG-CG2 4.35Å; F85-I149 WeakPolarHBondContact O-CA 3.04Å; V86-I149 HydrophobicContact CB-CG1 4.39Å; V86-I149 HydrophobicContact CG1-CD1 4.38Å; V86-I149 HydrophobicContact CG1-CG1 3.96Å; V86-I149 HydrophobicContact CG2-CD1 4.43Å; V86-I149 HydrophobicContact CG2-CG1 4.12Å; F102-I149 HydrophobicContact CZ-CD1 3.97Å; K134-I149 HydrophobicContact CB-CG2 4.02Å; K134-I149 HydrophobicContact CG-CB 4.38Å; K134-I149 HydrophobicContact CG-CG2 4.05Å; L137-I149 HydrophobicContact CB-CD1 3.27Å; L137-I149 HydrophobicContact CD1-CD1 4.35Å; L137-I149 HydrophobicContact CG-CD1 4.47Å; D138-I149 HydrophobicContact CB-CB 4.19Å; D138-I149 PolarHBondContact OD2-N 3.34Å
150R87.4Confident84.6Confident44 Ų4450.7 Ų50.717%0.16628%0.277CS..EExtended strand (participates in β ladder)trans-138.8163.4-178.8-66.4-63.8177.5-107.512.9109.8L84 F85 D138 D242L84-R150 CarbonylContact C-O 3.56Å; L84-R150 WeakPolarHBondContact CA-O 3.25Å; F85-R150 PolarHBondContact N-O 3.36Å; F85-R150 PolarHBondContact O-N 3.22Å; D138-R150 VanDerWaalsContact CG-NH1 3.26Å; D138-R150 IonicContact OD1-CZ 2.87Å; D138-R150 IonicContact OD1-NH1 2.75Å; D138-R150 PolarHBondContact OD1-NH1 3.16Å; D138-R150 IonicContact OD1-NH2 2.8Å; D138-R150 IonicContact OD2-NH1 3.31Å; D138-R150 PolarHBondContact OD2-NH1 3.09Å; R150-D242 WeakPolarHBondContact CD-OD2 3.33Å; R150-D242 IonicContact CZ-OD1 3.69Å; R150-D242 VanDerWaalsContact CZ-OD1 3.31Å; R150-D242 IonicContact CZ-OD2 3.74Å; R150-D242 IonicContact NE-OD1 2.92Å; R150-D242 PolarHBondContact NE-OD1 3.23Å; R150-D242 IonicContact NE-OD2 2.73Å; R150-D242 PolarHBondContact NE-OD2 2.79Å; R150-D242 IonicContact NH2-OD1 3.97Å; R150-D242 PolarHBondContact NH2-OD1 2.94Å; R150-D242 IonicContact NH2-OD2 3.91Å
151F86.9Confident84.9Confident59 Ų5951.6 Ų51.626%0.25928%0.276SS..EExtended strand (participates in β ladder)trans-66.6136.9166.7-72-77.7000109.8L84 A130 E131 K134L84-F151 HydrophobicContact CD2-CD1 3.85Å; L84-F151 HydrophobicContact CD2-CE1 3.75Å; L84-F151 HydrophobicContact CD2-CG 4.37Å; L84-F151 HydrophobicContact CD2-CZ 4.18Å; A130-F151 HydrophobicContact CB-CE1 3.87Å; A130-F151 HydrophobicContact CB-CZ 4.5Å; E131-F151 HydrophobicContact CB-CZ 4.48Å; E131-F151 HydrophobicContact CG-CE1 4.47Å; E131-F151 HydrophobicContact CG-CE2 4.3Å; E131-F151 HydrophobicContact CG-CZ 3.58Å; K134-F151 HydrophobicContact CD-CD2 4.2Å; K134-F151 HydrophobicContact CD-CE2 3.72Å; K134-F151 HydrophobicContact CD-CZ 4.43Å
152A83.1Confident85.3Confident11 Ų1149 Ų499%0.09126%0.264CS..PPolyproline II helixtrans-69.9136.217500000109.4R83 F121 H154R83-A152 HydrophobicContact CB-CB 4.02Å; R83-A152 HydrophobicContact CG-CB 3.84Å; R83-A152 VanDerWaalsContact O-CB 3.29Å; R83-A152 WeakPolarHBondContact O-CB 3.44Å; R83-A152 PolarHBondContact O-N 2.92Å; F121-A152 HydrophobicContact CD1-CB 3.85Å; F121-A152 HydrophobicContact CE1-CB 3.83Å; A152-H154 PolarHBondContact O-N 3.03Å; A152-H154 VanDerWaalsContact O-N 3.16Å
153T77.5Confident85.9Confident108 Ų10847.3 Ų47.366%0.66326%0.255SS*.PPolyproline II helixtrans-61.3119.9178.9460000110.9G155 Q237T153-G155 VanDerWaalsContact C-N 3.27Å; T153-G155 PolarHBondContact O-N 3.25Å; T153-Q237 VanDerWaalsContact C-OE1 3.29Å; T153-Q237 VanDerWaalsContact CB-OE1 3.27Å
154H79.1Confident86.6Confident13 Ų1341.5 Ų41.56%0.0623%0.231CC..  trans-77.675.7-177.2-171.6-56.6000110Q80 A152 A156 A157 E183 F203 Q237Q80-H154 WeakPolarHBondContact CB-CD2 3.42Å; A152-H154 PolarHBondContact O-N 3.03Å; A152-H154 VanDerWaalsContact O-N 3.16Å; H154-A156 VanDerWaalsContact CE1-C 3.43Å; H154-A156 PolarHBondContact ND1-N 2.82Å; H154-A156 PolarHBondContact O-N 3.41Å; H154-A157 WeakPolarHBondContact ND1-CB 3.25Å; H154-A157 PolarHBondContact ND1-N 2.84Å; H154-A157 VanDerWaalsContact ND1-N 3.12Å; H154-A157 PolarHBondContact O-N 3.39Å; H154-E183 IonicContact NE2-OE2 2.81Å; H154-F203 PolarHBondContact CE1-O 3.1Å; H154-Q237 PolarHBondContact O-NE2 2.92Å
155G76.3Confident87Confident51 Ų5140.4 Ų40.453%0.52622%0.222SC..THydrogen-bonded Turntrans-67.215.1-176.800000116.5T153 K206T153-G155 VanDerWaalsContact C-N 3.27Å; T153-G155 PolarHBondContact O-N 3.25Å; G155-K206 WeakPolarHBondContact O-CG 3.5Å
156A86.7Confident87.4Confident5 Ų541.7 Ų41.74%0.04124%0.238CC..THydrogen-bonded Turntrans-13019.2-179.900000113H154 F203 A205 A209H154-A156 VanDerWaalsContact CE1-C 3.43Å; H154-A156 PolarHBondContact ND1-N 2.82Å; H154-A156 PolarHBondContact O-N 3.41Å; A156-F203 HydrophobicContact CB-CB 4.28Å; A156-F203 VanDerWaalsContact CB-O 3.26Å; A156-F203 WeakPolarHBondContact CB-O 3.47Å; A156-F203 PolarHBondContact O-N 3.19Å; A156-A205 VanDerWaalsContact CB-C 3.49Å; A156-A205 WeakPolarHBondContact CB-O 3.17Å; A156-A209 HydrophobicContact CB-CB 4.1Å
157A89.2Confident87.6Confident7 Ų738.8 Ų38.86%0.05822%0.22CC..EExtended strand (participates in β ladder)trans-92.9137.2175.200000110.7H154 E202 M235H154-A157 WeakPolarHBondContact ND1-CB 3.25Å; H154-A157 PolarHBondContact ND1-N 2.84Å; H154-A157 VanDerWaalsContact ND1-N 3.12Å; H154-A157 PolarHBondContact O-N 3.39Å; A157-E202 HydrophobicContact CB-CG 4.1Å; A157-M235 HydrophobicContact CB-CB 3.78Å; A157-M235 HydrophobicContact CB-CG 4.39Å; A157-M235 HydrophobicContact CB-SD 3.82Å; A157-M235 WeakPolarHBondContact O-CB 3.41Å; A157-M235 PolarHBondContact O-N 3.21Å
158L91.7Very high87.7Confident8 Ų840.9 Ų40.94%0.04223%0.234CC..EExtended strand (participates in β ladder)trans-125.7140.7178.5-56.7179.6000110.4F200 V201 F203 A209 A212 V232 E233L158-F200 CarbonylContact O-C 3.55Å; L158-F200 VanDerWaalsContact O-CA 3.27Å; L158-F200 WeakPolarHBondContact O-CA 3.37Å; L158-V201 PolarHBondContact N-O 2.87Å; L158-V201 PolarHBondContact O-N 3.33Å; L158-F203 HydrophobicContact CD1-CD2 4.25Å; L158-F203 HydrophobicContact CD1-CE2 3.8Å; L158-A209 HydrophobicContact CD1-CB 4.26Å; L158-A209 WeakPolarHBondContact CD1-O 3.48Å; L158-A209 HydrophobicContact CD2-CB 4.25Å; L158-A209 HydrophobicContact CG-CB 4.19Å; L158-A212 HydrophobicContact CD1-CB 3.84Å; L158-V232 HydrophobicContact CB-CG1 3.95Å; L158-V232 HydrophobicContact CD1-CG1 3.6Å; L158-V232 HydrophobicContact CG-CG1 4.24Å; L158-E233 CarbonylContact C-O 3.57Å; L158-E233 VanDerWaalsContact CA-O 3.31Å; L158-E233 WeakPolarHBondContact CA-O 3.38Å
159T92.1Very high88Confident31 Ų3139.7 Ų39.719%0.1924%0.236CC..EExtended strand (participates in β ladder)trans-89.8131.9168.4-57.10000108.8K161 V232 E233T159-K161 HydrophobicContact CG2-CG 4.18Å; T159-V232 WeakPolarHBondContact O-CA 3.4Å; T159-E233 PolarHBondContact N-O 3.41Å; T159-E233 PolarHBondContact O-N 3.44Å
160V92.6Very high88Confident0 Ų045.7 Ų45.70%026%0.264CS..EExtended strand (participates in β ladder)trans-112.4122.1175.4-167.50000108.9L163 L172 F176 K198 G199 V201 V230 I231 V232V160-L163 HydrophobicContact CB-CD2 4.41Å; V160-L163 HydrophobicContact CG1-CD2 3.59Å; V160-L163 HydrophobicContact CG1-CG 4.13Å; V160-L172 HydrophobicContact CG1-CD1 4.45Å; V160-F176 HydrophobicContact CG1-CE2 4.37Å; V160-F176 HydrophobicContact CG1-CZ 4.01Å; V160-F176 HydrophobicContact CG2-CE1 4.03Å; V160-F176 HydrophobicContact CG2-CE2 4.18Å; V160-F176 HydrophobicContact CG2-CZ 3.61Å; V160-K198 CarbonylContact O-C 3.45Å; V160-K198 WeakPolarHBondContact O-CA 3.45Å; V160-G199 PolarHBondContact N-O 3.44Å; V160-G199 PolarHBondContact O-N 2.98Å; V160-V201 HydrophobicContact CG2-CG2 3.79Å; V160-V230 HydrophobicContact CG1-CB 3.83Å; V160-V230 HydrophobicContact CG1-CG1 4.47Å; V160-V230 HydrophobicContact CG1-CG2 4.14Å; V160-I231 CarbonylContact C-O 3.54Å; V160-I231 WeakPolarHBondContact CA-O 3.46Å; V160-V232 HydrophobicContact CG1-CG2 4.34Å; V160-V232 HydrophobicContact CG2-CG2 4.42Å
161K91.8Very high88.2Confident69 Ų6946.5 Ų46.530%0.327%0.272SS..EExtended strand (participates in β ladder)trans-114.2169179.1-58.7176.6-174.2167.60110.4T159 L163 G197 I231 E233T159-K161 HydrophobicContact CG2-CG 4.18Å; K161-L163 VanDerWaalsContact C-N 3.25Å; K161-L163 PolarHBondContact O-N 3.03Å; K161-G197 CarbonylContact C-O 3.44Å; K161-I231 HydrophobicContact CB-CB 4.21Å; K161-I231 PolarHBondContact N-O 2.84Å; K161-I231 PolarHBondContact O-N 2.78Å; K161-E233 WeakPolarHBondContact CE-OE1 3.41Å; K161-E233 WeakPolarHBondContact CE-OE2 3.3Å; K161-E233 IonicContact NZ-OE1 3.48Å; K161-E233 PolarHBondContact NZ-OE1 3.3Å; K161-E233 IonicContact NZ-OE2 2.77Å; K161-E233 PolarHBondContact NZ-OE2 3.4Å
162N91.9Very high88.5Confident70 Ų7043.7 Ų43.737%0.37426%0.259SS..SBendtrans61.329.2-177-161.538.5000113.9G197 P229 I231N162-G197 PolarHBondContact N-O 2.79Å; N162-P229 PolarHBondContact ND2-O 3.17Å; N162-I231 HydrophobicContact CB-CD1 4.22Å; N162-I231 HydrophobicContact CB-CG1 4.31Å
163L90.6Very high88.9Confident5 Ų546.2 Ų46.23%0.02627%0.269CS..  trans-65.9139.2174.7-64.9179.8000111V160 K161 L172 V187 G197 L223 V230V160-L163 HydrophobicContact CB-CD2 4.41Å; V160-L163 HydrophobicContact CG1-CD2 3.59Å; V160-L163 HydrophobicContact CG1-CG 4.13Å; K161-L163 VanDerWaalsContact C-N 3.25Å; K161-L163 PolarHBondContact O-N 3.03Å; L163-L172 HydrophobicContact CD1-CD1 4.42Å; L163-L172 HydrophobicContact CD1-CD2 4.29Å; L163-L172 HydrophobicContact CD2-CD1 3.96Å; L163-V187 HydrophobicContact CD1-CG1 4.29Å; L163-V187 HydrophobicContact CD1-CG2 4.12Å; L163-G197 PolarHBondContact N-O 3.03Å; L163-G197 WeakPolarHBondContact O-CA 3.33Å; L163-L223 HydrophobicContact CD2-CD1 3.65Å; L163-V230 HydrophobicContact CD2-CB 4.42Å; L163-V230 HydrophobicContact CD2-CG1 3.76Å
164S90.1Very high89.6Confident13 Ų1347.7 Ų47.79%0.09127%0.269CS..  trans-72.3141.7170.6-170.90000109.7V166 V167S164-V166 PolarHBondContact O-N 2.94Å; S164-V167 WeakPolarHBondContact O-CB 3.31Å; S164-V167 WeakPolarHBondContact O-CG2 3.06Å; S164-V167 PolarHBondContact O-N 2.76Å
165P88Confident90.2Very high89 Ų8947.9 Ų47.958%0.57827%0.273SS*.THydrogen-bonded Turntrans-66.9-9-175.727.4-36.6000114.6A195P165-A195 HydrophobicContact CB-CB 4.37Å
166V89.3Confident90.9Very high109 Ų10945.5 Ų45.566%0.66125%0.248SC*.THydrogen-bonded Turntrans-87.5-3.5172.8-54.20000113.3S164 S168 T224S164-V166 PolarHBondContact O-N 2.94Å; V166-S168 PolarHBondContact O-N 3.16Å; V166-T224 HydrophobicContact CG2-CG2 3.72Å
167V90.8Very high91.2Very high7 Ų748.3 Ų48.34%0.04227%0.267CS..  trans-78.8117.3177.5176.90000109.1S164 L171 L172 V187 L223 T224S164-V167 WeakPolarHBondContact O-CB 3.31Å; S164-V167 WeakPolarHBondContact O-CG2 3.06Å; S164-V167 PolarHBondContact O-N 2.76Å; V167-L171 HydrophobicContact CG1-CB 4.49Å; V167-L171 HydrophobicContact CG1-CD2 4.43Å; V167-L171 HydrophobicContact CG2-CD2 4.31Å; V167-L172 HydrophobicContact CG1-CB 4.15Å; V167-V187 HydrophobicContact CG1-CG2 4.32Å; V167-L223 HydrophobicContact CG1-CD1 3.87Å; V167-L223 HydrophobicContact CG2-CB 4.05Å; V167-L223 HydrophobicContact CG2-CD1 4.04Å; V167-T224 HydrophobicContact CG2-CG2 3.85Å
168S91.4Very high91.4Very high46 Ų4653.3 Ų53.332%0.32229%0.289SS..  trans-83164169.265.70000111.7V166 E170 L171 L172V166-S168 PolarHBondContact O-N 3.16Å; S168-E170 VanDerWaalsContact C-N 3.26Å; S168-E170 PolarHBondContact O-N 3.27Å; S168-L171 PolarHBondContact O-N 3.33Å; S168-L171 PolarHBondContact OG-N 3.35Å; S168-L171 VanDerWaalsContact OG-N 3.11Å; S168-L172 WeakPolarHBondContact O-CB 3.34Å; S168-L172 PolarHBondContact O-N 2.97Å
169N91.1Very high91.4Very high89 Ų8953.6 Ų53.648%0.47629%0.29SS..Hα-helixtrans-52.6-42.116748-63.3000112.3L172 E173N169-L172 PolarHBondContact O-N 3.31Å; N169-E173 PolarHBondContact O-N 3.43Å
170E90.6Very high91.3Very high126 Ų12652.9 Ų52.959%0.58929%0.289SS*.Hα-helixtrans-66.1-43.8177.3-62.8174.397.900112.5S168 L172 E173 Q174S168-E170 VanDerWaalsContact C-N 3.26Å; S168-E170 PolarHBondContact O-N 3.27Å; E170-L172 VanDerWaalsContact C-N 3.3Å; E170-L172 PolarHBondContact O-N 2.92Å; E170-E173 PolarHBondContact O-N 2.94Å; E170-Q174 WeakPolarHBondContact O-CB 3.27Å; E170-Q174 WeakPolarHBondContact O-CG 3.42Å; E170-Q174 PolarHBondContact O-N 3.17Å
171L91.9Very high91.2Very high60 Ų6056.8 Ų56.831%0.31431%0.314SS..Hα-helixtrans-64.5-38.6177-177.363.5000111V167 S168 A175V167-L171 HydrophobicContact CG1-CB 4.49Å; V167-L171 HydrophobicContact CG1-CD2 4.43Å; V167-L171 HydrophobicContact CG2-CD2 4.31Å; S168-L171 PolarHBondContact O-N 3.33Å; S168-L171 PolarHBondContact OG-N 3.35Å; S168-L171 VanDerWaalsContact OG-N 3.11Å; L171-A175 VanDerWaalsContact O-CB 3.23Å; L171-A175 WeakPolarHBondContact O-CB 3.1Å; L171-A175 PolarHBondContact O-N 3.15Å
172L92.2Very high91.1Very high0 Ų054 Ų540%030%0.303CS..Hα-helixtrans-63.9-43.2174.9-17167.1000111.2V160 L163 V167 S168 N169 E170 F176 A185 V187 V201 L223V160-L172 HydrophobicContact CG1-CD1 4.45Å; L163-L172 HydrophobicContact CD1-CD1 4.42Å; L163-L172 HydrophobicContact CD1-CD2 4.29Å; L163-L172 HydrophobicContact CD2-CD1 3.96Å; V167-L172 HydrophobicContact CG1-CB 4.15Å; S168-L172 WeakPolarHBondContact O-CB 3.34Å; S168-L172 PolarHBondContact O-N 2.97Å; N169-L172 PolarHBondContact O-N 3.31Å; E170-L172 VanDerWaalsContact C-N 3.3Å; E170-L172 PolarHBondContact O-N 2.92Å; L172-F176 HydrophobicContact CD1-CD2 3.8Å; L172-F176 HydrophobicContact CD1-CE2 3.56Å; L172-F176 HydrophobicContact CG-CD2 4.36Å; L172-F176 WeakPolarHBondContact O-CD2 3.49Å; L172-F176 PolarHBondContact O-N 3.3Å; L172-F176 VanDerWaalsContact O-N 3.09Å; L172-A185 HydrophobicContact CB-CB 4.18Å; L172-A185 HydrophobicContact CD2-CB 4.12Å; L172-A185 HydrophobicContact CG-CB 4.06Å; L172-V187 HydrophobicContact CB-CG2 4.45Å; L172-V187 HydrophobicContact CD2-CG2 4.03Å; L172-V201 HydrophobicContact CD1-CG2 4.3Å; L172-V201 HydrophobicContact CD2-CG2 3.88Å; L172-V201 HydrophobicContact CG-CG2 3.84Å; L172-L223 HydrophobicContact CD1-CD1 3.85Å
173E91.8Very high90.9Very high65 Ų6551.5 Ų51.530%0.30429%0.289SS..Hα-helixtrans-61.1-52.5175-173.8172.315500111.7K76 N169 E170 A175 F176 S177 V182 A185K76-E173 IonicContact NZ-OE1 3.72Å; K76-E173 PolarHBondContact NZ-OE1 2.92Å; K76-E173 IonicContact NZ-OE2 3.53Å; N169-E173 PolarHBondContact O-N 3.43Å; E170-E173 PolarHBondContact O-N 2.94Å; E173-A175 VanDerWaalsContact C-N 3.33Å; E173-A175 PolarHBondContact O-N 3.29Å; E173-F176 PolarHBondContact O-N 3.02Å; E173-S177 WeakPolarHBondContact O-CB 3.46Å; E173-S177 PolarHBondContact O-N 2.84Å; E173-V182 HydrophobicContact CG-CB 4.1Å; E173-V182 HydrophobicContact CG-CG1 3.93Å; E173-A185 HydrophobicContact CB-CB 3.81Å
174Q92.6Very high90.7Very high138 Ų13853.9 Ų53.965%0.64530%0.299SS*.Hα-helixtrans-58.9-44.3-178.7-72176.413.400111.8E170 S177E170-Q174 WeakPolarHBondContact O-CB 3.27Å; E170-Q174 WeakPolarHBondContact O-CG 3.42Å; E170-Q174 PolarHBondContact O-N 3.17Å; Q174-S177 WeakPolarHBondContact O-CB 3.22Å; Q174-S177 PolarHBondContact O-N 3.22Å
175A91.6Very high90.7Very high18 Ų1853.6 Ų53.615%0.14930%0.298CS..Hα-helixtrans-66.3-38.6179.400000112.9L171 E173 Q178 F221 L223L171-A175 VanDerWaalsContact O-CB 3.23Å; L171-A175 WeakPolarHBondContact O-CB 3.1Å; L171-A175 PolarHBondContact O-N 3.15Å; E173-A175 VanDerWaalsContact C-N 3.33Å; E173-A175 PolarHBondContact O-N 3.29Å; A175-Q178 WeakPolarHBondContact O-CG 3.5Å; A175-F221 HydrophobicContact CB-CE1 4.38Å; A175-F221 HydrophobicContact CB-CZ 4.03Å; A175-L223 HydrophobicContact CB-CD2 3.32Å
176F92.1Very high90.8Very high0 Ų051.5 Ų51.50%028%0.283CS..Hα-helixtrans-81.5-20.4178.3-81.3-105.6000113.3V160 L172 E173 Q178 F179 V182 V201 F203 A212 F221 V230 V232V160-F176 HydrophobicContact CG1-CE2 4.37Å; V160-F176 HydrophobicContact CG1-CZ 4.01Å; V160-F176 HydrophobicContact CG2-CE1 4.03Å; V160-F176 HydrophobicContact CG2-CE2 4.18Å; V160-F176 HydrophobicContact CG2-CZ 3.61Å; L172-F176 HydrophobicContact CD1-CD2 3.8Å; L172-F176 HydrophobicContact CD1-CE2 3.56Å; L172-F176 HydrophobicContact CG-CD2 4.36Å; L172-F176 WeakPolarHBondContact O-CD2 3.49Å; L172-F176 PolarHBondContact O-N 3.3Å; L172-F176 VanDerWaalsContact O-N 3.09Å; E173-F176 PolarHBondContact O-N 3.02Å; F176-Q178 PolarHBondContact O-N 3.49Å; F176-Q178 VanDerWaalsContact O-N 3.13Å; F176-F179 HydrophobicContact CB-CD2 4.39Å; F176-F179 AromaticContact CD1-CD2 4Å; F176-F179 HydrophobicContact CD1-CD2 4Å; F176-F179 HydrophobicContact CD1-CE2 4.1Å; F176-F179 HydrophobicContact CE1-CE2 4.38Å; F176-F179 HydrophobicContact CG-CD2 4.34Å; F176-F179 HydrophobicContact CG-CE2 4.42Å; F176-F179 WeakPolarHBondContact O-CB 3.17Å; F176-F179 WeakPolarHBondContact O-CD2 3.44Å; F176-F179 PolarHBondContact O-N 3.3Å; F176-V182 HydrophobicContact CB-CG2 3.94Å; F176-V201 HydrophobicContact CB-CG1 3.88Å; F176-V201 HydrophobicContact CB-CG2 4.46Å; F176-V201 HydrophobicContact CD1-CB 4.34Å; F176-V201 HydrophobicContact CD1-CG1 4.09Å; F176-V201 HydrophobicContact CD1-CG2 4.15Å; F176-V201 HydrophobicContact CD2-CG2 4.18Å; F176-V201 HydrophobicContact CE1-CG2 4.47Å; F176-V201 HydrophobicContact CG-CG1 4.09Å; F176-V201 HydrophobicContact CG-CG2 4Å; F176-F203 HydrophobicContact CB-CZ 3.98Å; F176-F203 HydrophobicContact CD1-CE2 4.15Å; F176-F203 AromaticContact CD1-CZ 3.94Å; F176-F203 HydrophobicContact CD1-CZ 3.94Å; F176-F203 HydrophobicContact CG-CZ 4.48Å; F176-F203 WeakPolarHBondContact O-CE1 3.46Å; F176-A212 HydrophobicContact CD1-CB 4.33Å; F176-A212 HydrophobicContact CE1-CB 4.48Å; F176-F221 HydrophobicContact CD2-CE1 4.17Å; F176-F221 HydrophobicContact CE2-CD1 4.36Å; F176-F221 AromaticContact CE2-CE1 3.83Å; F176-F221 HydrophobicContact CE2-CE1 3.83Å; F176-F221 HydrophobicContact CZ-CD1 4.36Å; F176-F221 HydrophobicContact CZ-CE1 4.19Å; F176-V230 HydrophobicContact CZ-CG2 4.36Å; F176-V232 HydrophobicContact CE1-CG1 4.45Å; F176-V232 HydrophobicContact CE1-CG2 3.84Å; F176-V232 HydrophobicContact CZ-CG2 3.7Å
177S93Very high90.9Very high64 Ų6447.1 Ų47.145%0.44826%0.256SS..Hα-helixtrans-55.9-27.5173.8-166.90000113.2E173 Q174 F179 G180E173-S177 WeakPolarHBondContact O-CB 3.46Å; E173-S177 PolarHBondContact O-N 2.84Å; Q174-S177 WeakPolarHBondContact O-CB 3.22Å; Q174-S177 PolarHBondContact O-N 3.22Å; S177-F179 PolarHBondContact O-N 2.81Å; S177-G180 WeakPolarHBondContact CA-O 3.18Å; S177-G180 PolarHBondContact O-N 2.75Å
178Q91.8Very high90.9Very high112 Ų11249.4 Ų49.452%0.52327%0.27SS..THydrogen-bonded Turntrans-60.2-25.4173.982.6-175.114.700113.7A175 F176A175-Q178 WeakPolarHBondContact O-CG 3.5Å; F176-Q178 PolarHBondContact O-N 3.49Å; F176-Q178 VanDerWaalsContact O-N 3.13Å
179F91.5Very high90.8Very high14 Ų1451.2 Ų51.26%0.06128%0.28CS..THydrogen-bonded Turntrans-84.1-34.6179.1-57.2-64.3000111.3F176 S177 F203 K211 A212 R215 F221F176-F179 HydrophobicContact CB-CD2 4.39Å; F176-F179 AromaticContact CD1-CD2 4Å; F176-F179 HydrophobicContact CD1-CD2 4Å; F176-F179 HydrophobicContact CD1-CE2 4.1Å; F176-F179 HydrophobicContact CE1-CE2 4.38Å; F176-F179 HydrophobicContact CG-CD2 4.34Å; F176-F179 HydrophobicContact CG-CE2 4.42Å; F176-F179 WeakPolarHBondContact O-CB 3.17Å; F176-F179 WeakPolarHBondContact O-CD2 3.44Å; F176-F179 PolarHBondContact O-N 3.3Å; S177-F179 PolarHBondContact O-N 2.81Å; F179-F203 HydrophobicContact CB-CE1 4.15Å; F179-F203 HydrophobicContact CB-CZ 4.08Å; F179-F203 HydrophobicContact CD2-CZ 4.41Å; F179-K211 PolarHBondContact O-NZ 3.34Å; F179-K211 VanDerWaalsContact O-NZ 3.14Å; F179-A212 HydrophobicContact CB-CB 3.9Å; F179-A212 HydrophobicContact CD1-CB 4.28Å; F179-A212 HydrophobicContact CD2-CB 3.56Å; F179-A212 HydrophobicContact CE2-CB 4.09Å; F179-A212 HydrophobicContact CG-CB 3.65Å; F179-R215 HydrophobicContact CD1-CB 4.3Å; F179-R215 HydrophobicContact CD1-CG 4.37Å; F179-R215 HydrophobicContact CE1-CB 3.52Å; F179-R215 HydrophobicContact CE1-CG 3.92Å; F179-R215 HydrophobicContact CZ-CB 4.16Å; F179-F221 HydrophobicContact CE2-CD1 4.29Å; F179-F221 AromaticContact CE2-CE1 3.8Å; F179-F221 HydrophobicContact CE2-CE1 3.8Å; F179-F221 AromaticContact CE2-CZ 4Å; F179-F221 HydrophobicContact CE2-CZ 4Å; F179-F221 HydrophobicContact CZ-CD1 4.31Å; F179-F221 HydrophobicContact CZ-CD2 4.48Å; F179-F221 HydrophobicContact CZ-CE1 4.13Å; F179-F221 HydrophobicContact CZ-CE2 4.34Å; F179-F221 HydrophobicContact CZ-CG 4.49Å; F179-F221 HydrophobicContact CZ-CZ 4.15Å
180G90.2Very high90.7Very high16 Ų1649.7 Ų49.717%0.16527%0.271CS..SBendtrans165.5-173.8172.600000111.8S177 V182 F203S177-G180 WeakPolarHBondContact CA-O 3.18Å; S177-G180 PolarHBondContact O-N 2.75Å; G180-V182 PolarHBondContact O-N 3.01Å; G180-V182 VanDerWaalsContact O-N 3.09Å; G180-F203 WeakPolarHBondContact O-CE1 3.38Å
181P90.6Very high90.6Very high82 Ų8251.8 Ų51.853%0.53229%0.287SS..  trans-62.7112.6-175.525.1-34.4000112.2A204P181-A204 HydrophobicContact CB-CB 4.35Å; P181-A204 HydrophobicContact CG-CB 4.19Å; P181-A204 PolarHBondContact O-N 3.06Å
182V91.1Very high90.4Very high10 Ų1058.3 Ų58.36%0.06131%0.307CS..EExtended strand (participates in β ladder)trans-81130.1171.2177.50000108.5K76 E173 F176 G180 K184 A185 V201 F203K76-V182 PolarHBondContact NZ-O 3.4Å; E173-V182 HydrophobicContact CG-CB 4.1Å; E173-V182 HydrophobicContact CG-CG1 3.93Å; F176-V182 HydrophobicContact CB-CG2 3.94Å; G180-V182 PolarHBondContact O-N 3.01Å; G180-V182 VanDerWaalsContact O-N 3.09Å; V182-K184 WeakPolarHBondContact CG1-O 3.49Å; V182-A185 HydrophobicContact CG1-CB 4.31Å; V182-V201 HydrophobicContact CG1-CG1 3.93Å; V182-V201 HydrophobicContact CG2-CG1 4.04Å; V182-F203 HydrophobicContact CG2-CD1 3.94Å; V182-F203 HydrophobicContact CG2-CE1 3.62Å; V182-F203 HydrophobicContact CG2-CZ 4.18Å
183E87.4Confident90Very high18 Ų1861 Ų618%0.08433%0.334CS..EExtended strand (participates in β ladder)trans-83.3-41.4169.7-74.1-175.3167.100110.8K76 T79 Q80 R123 H154 E202 A204K76-E183 WeakPolarHBondContact CD-O 3.46Å; K76-E183 PolarHBondContact NZ-O 3.37Å; T79-E183 WeakPolarHBondContact CA-OE1 3.37Å; T79-E183 WeakPolarHBondContact CA-OE2 3.2Å; T79-E183 VanDerWaalsContact CB-OE2 3.25Å; T79-E183 WeakPolarHBondContact CB-OE2 3.27Å; T79-E183 HydrophobicContact CG2-CB 3.82Å; T79-E183 HydrophobicContact CG2-CG 3.89Å; Q80-E183 WeakPolarHBondContact CB-OE2 3.12Å; Q80-E183 PolarHBondContact N-OE1 3.09Å; Q80-E183 PolarHBondContact N-OE2 3.25Å; R123-E183 IonicContact NH1-OE1 3.97Å; H154-E183 IonicContact NE2-OE2 2.81Å; E183-E202 PolarHBondContact N-O 2.85Å; E183-A204 VanDerWaalsContact CD-CA 3.47Å; E183-A204 HydrophobicContact CG-CB 3.7Å; E183-A204 WeakPolarHBondContact OE1-CA 3.42Å; E183-A204 WeakPolarHBondContact OE1-CB 3.27Å
184K85.8Confident89.8Confident56 Ų5664.8 Ų64.824%0.24335%0.346CS..EExtended strand (participates in β ladder)trans-151.5141.4-179.9-152.6174.6-167.2152.30111.3E75 V182 V186 V201 E202E75-K184 IonicContact OE1-NZ 2.71Å; E75-K184 PolarHBondContact OE1-NZ 3.46Å; V182-K184 WeakPolarHBondContact CG1-O 3.49Å; K184-V186 HydrophobicContact CD-CG2 4.3Å; K184-V186 HydrophobicContact CG-CG2 4.08Å; K184-V201 WeakPolarHBondContact O-CA 3.29Å; K184-E202 HydrophobicContact CB-CB 4.12Å; K184-E202 VanDerWaalsContact CB-OE2 3.29Å; K184-E202 WeakPolarHBondContact CB-OE2 3.32Å; K184-E202 VanDerWaalsContact CD-OE2 3.29Å; K184-E202 WeakPolarHBondContact CD-OE2 3.49Å; K184-E202 PolarHBondContact N-O 2.95Å; K184-E202 PolarHBondContact O-N 3.37Å
185A90.6Very high89.5Confident7 Ų759.6 Ų59.66%0.05833%0.327CS..EExtended strand (participates in β ladder)trans-130.9132.5164.300000109.4L172 E173 V182 F200 V201L172-A185 HydrophobicContact CB-CB 4.18Å; L172-A185 HydrophobicContact CD2-CB 4.12Å; L172-A185 HydrophobicContact CG-CB 4.06Å; E173-A185 HydrophobicContact CB-CB 3.81Å; V182-A185 HydrophobicContact CG1-CB 4.31Å; A185-F200 WeakPolarHBondContact CA-O 3.29Å; A185-V201 HydrophobicContact CB-CG2 4.17Å
186V90.2Very high89.3Confident45 Ų4561.8 Ų61.827%0.27334%0.338SS..EExtended strand (participates in β ladder)trans-137.2129.9-179.4-175.40000109.1K184 G199 F200K184-V186 HydrophobicContact CD-CG2 4.3Å; K184-V186 HydrophobicContact CG-CG2 4.08Å; V186-G199 CarbonylContact O-C 3.43Å; V186-G199 WeakPolarHBondContact O-CA 3.41Å; V186-F200 HydrophobicContact CB-CD1 4.39Å; V186-F200 HydrophobicContact CB-CD2 4.21Å; V186-F200 HydrophobicContact CB-CE1 3.86Å; V186-F200 HydrophobicContact CB-CE2 3.65Å; V186-F200 HydrophobicContact CB-CZ 3.46Å; V186-F200 VanDerWaalsContact CB-CZ 3.46Å; V186-F200 HydrophobicContact CG1-CE1 4.07Å; V186-F200 HydrophobicContact CG1-CZ 3.85Å; V186-F200 HydrophobicContact CG2-CD2 4.38Å; V186-F200 HydrophobicContact CG2-CE2 3.57Å; V186-F200 HydrophobicContact CG2-CZ 3.69Å; V186-F200 PolarHBondContact N-O 3.05Å; V186-F200 PolarHBondContact O-N 3.28Å
187V91.5Very high89.1Confident16 Ų1662.6 Ų62.610%0.09735%0.346CS..EExtended strand (participates in β ladder)trans-88.5126.2167.9-179.30000107.6L163 V167 L172 V189 A195L163-V187 HydrophobicContact CD1-CG1 4.29Å; L163-V187 HydrophobicContact CD1-CG2 4.12Å; V167-V187 HydrophobicContact CG1-CG2 4.32Å; L172-V187 HydrophobicContact CB-CG2 4.45Å; L172-V187 HydrophobicContact CD2-CG2 4.03Å; V187-V189 PolarHBondContact O-N 2.97Å; V187-A195 HydrophobicContact CG1-CB 3.86Å
188V90.2Very high89Confident55 Ų5565.2 Ų65.233%0.33335%0.349SS..EExtended strand (participates in β ladder)trans-74.6122.5179177.70000108.2T196 K198 F200V188-T196 HydrophobicContact CG1-CG2 4.09Å; V188-T196 WeakPolarHBondContact O-CB 3.31Å; V188-T196 WeakPolarHBondContact O-CG2 3.39Å; V188-T196 PolarHBondContact O-N 2.6Å; V188-T196 PolarHBondContact O-OG1 2.72Å; V188-K198 HydrophobicContact CB-CB 4.4Å; V188-K198 PolarHBondContact N-O 2.84Å; V188-F200 HydrophobicContact CG2-CD1 4.01Å; V188-F200 HydrophobicContact CG2-CE1 4.04Å
189V89.2Confident89Confident85 Ų8560 Ų6052%0.51533%0.326SS..EExtended strand (participates in β ladder)trans-101.5146.7173.7-64.20000111.1V187 R194V187-V189 PolarHBondContact O-N 2.97Å; V189-R194 CarbonylContact C-O 3.56Å; V189-R194 VanDerWaalsContact CA-O 3.3Å; V189-R194 WeakPolarHBondContact CA-O 3.25Å
190D90.1Very high89Confident56 Ų5661.4 Ų61.430%0.29933%0.332SS..PPolyproline II helixtrans-67.9164168.7-177.531.3000110R192 G193 R194 T196D190-R192 PolarHBondContact O-N 2.9Å; D190-G193 WeakPolarHBondContact O-CA 3.44Å; D190-G193 PolarHBondContact O-N 3.38Å; D190-R194 HydrophobicContact CB-CB 4.44Å; D190-R194 WeakPolarHBondContact CB-O 3.3Å; D190-R194 PolarHBondContact N-O 2.73Å; D190-R194 IonicContact OD2-CZ 3.82Å; D190-R194 IonicContact OD2-NE 3.37Å; D190-R194 PolarHBondContact OD2-NE 2.92Å; D190-R194 IonicContact OD2-NH2 3.72Å; D190-R194 PolarHBondContact OD2-NH2 2.69Å; D190-T196 HydrophobicContact CB-CG2 4.12Å
191D87.2Confident89.1Confident171 Ų17160.7 Ų60.791%0.91432%0.324SS*.THydrogen-bonded Turntrans-54.6-23.1176.3-68.2-89.3000113.1G193D191-G193 VanDerWaalsContact C-N 3.28Å; D191-G193 PolarHBondContact O-N 3.19Å
192R87.8Confident89Confident197 Ų19757.4 Ų57.474%0.74330%0.302SS*.THydrogen-bonded Turntrans-83.710.1174.9-65.8-178.4164.3-155.8-4.5114.4D190 R194D190-R192 PolarHBondContact O-N 2.9Å; R192-R194 HydrophobicContact CB-CG 4.28Å; R192-R194 PolarHBondContact O-N 2.82Å
193G84Confident89Confident55 Ų5556.9 Ų56.957%0.56730%0.299SS*.SBendtrans68.411.5-176.800000114.8D190 D191D190-G193 WeakPolarHBondContact O-CA 3.44Å; D190-G193 PolarHBondContact O-N 3.38Å; D191-G193 VanDerWaalsContact C-N 3.28Å; D191-G193 PolarHBondContact O-N 3.19Å
194R86.7Confident89Confident146 Ų14657.4 Ų57.455%0.55131%0.306SS*.  trans-90.7133.9-178.1-61.2179-60.1165.45.7110.3V189 D190 R192 T196V189-R194 CarbonylContact C-O 3.56Å; V189-R194 VanDerWaalsContact CA-O 3.3Å; V189-R194 WeakPolarHBondContact CA-O 3.25Å; D190-R194 HydrophobicContact CB-CB 4.44Å; D190-R194 WeakPolarHBondContact CB-O 3.3Å; D190-R194 PolarHBondContact N-O 2.73Å; D190-R194 IonicContact OD2-CZ 3.82Å; D190-R194 IonicContact OD2-NE 3.37Å; D190-R194 PolarHBondContact OD2-NE 2.92Å; D190-R194 IonicContact OD2-NH2 3.72Å; D190-R194 PolarHBondContact OD2-NH2 2.69Å; R192-R194 HydrophobicContact CB-CG 4.28Å; R192-R194 PolarHBondContact O-N 2.82Å; R194-T196 PolarHBondContact O-N 2.93Å
195A86.7Confident89.1Confident29 Ų2956.6 Ų56.624%0.2431%0.31CS..EExtended strand (participates in β ladder)trans-57123.5174.400000111.4P165 V187 G197P165-A195 HydrophobicContact CB-CB 4.37Å; V187-A195 HydrophobicContact CG1-CB 3.86Å; A195-G197 PolarHBondContact O-N 2.71Å
196T87.6Confident89Confident64 Ų6463.3 Ų63.339%0.39334%0.338SS..EExtended strand (participates in β ladder)trans-74.4-1.7-178.259.90000114V188 D190 R194 K198V188-T196 HydrophobicContact CG1-CG2 4.09Å; V188-T196 WeakPolarHBondContact O-CB 3.31Å; V188-T196 WeakPolarHBondContact O-CG2 3.39Å; V188-T196 PolarHBondContact O-N 2.6Å; V188-T196 PolarHBondContact O-OG1 2.72Å; D190-T196 HydrophobicContact CB-CG2 4.12Å; R194-T196 PolarHBondContact O-N 2.93Å; T196-K198 PolarHBondContact O-N 3.1Å; T196-K198 PolarHBondContact OG1-N 3.41Å
197G87.5Confident89.1Confident16 Ų1665.2 Ų65.217%0.16535%0.351CS..EExtended strand (participates in β ladder)trans73.65.8-167.600000113.9K161 N162 L163 A195K161-G197 CarbonylContact C-O 3.44Å; N162-G197 PolarHBondContact N-O 2.79Å; L163-G197 PolarHBondContact N-O 3.03Å; L163-G197 WeakPolarHBondContact O-CA 3.33Å; A195-G197 PolarHBondContact O-N 2.71Å
198K91.1Very high89.1Confident119 Ų11965.3 Ų65.352%0.51735%0.352SS..EExtended strand (participates in β ladder)trans-114.1153.1172.7-57.8178.1-177.2176.20110.5V160 V188 T196V160-K198 CarbonylContact O-C 3.45Å; V160-K198 WeakPolarHBondContact O-CA 3.45Å; V188-K198 HydrophobicContact CB-CB 4.4Å; V188-K198 PolarHBondContact N-O 2.84Å; T196-K198 PolarHBondContact O-N 3.1Å; T196-K198 PolarHBondContact OG1-N 3.41Å
199G91.6Very high89.1Confident3 Ų362.9 Ų62.93%0.03134%0.338CS..EExtended strand (participates in β ladder)trans-157.6175.6172.600000110.2V160 V186V160-G199 PolarHBondContact N-O 3.44Å; V160-G199 PolarHBondContact O-N 2.98Å; V186-G199 CarbonylContact O-C 3.43Å; V186-G199 WeakPolarHBondContact O-CA 3.41Å
200F91.8Very high89.2Confident44 Ų4466.1 Ų66.119%0.19334%0.341CS..EExtended strand (participates in β ladder)trans-137.2146.717353-91.8000110.6L158 A185 V186 V188 M235L158-F200 CarbonylContact O-C 3.55Å; L158-F200 VanDerWaalsContact O-CA 3.27Å; L158-F200 WeakPolarHBondContact O-CA 3.37Å; A185-F200 WeakPolarHBondContact CA-O 3.29Å; V186-F200 HydrophobicContact CB-CD1 4.39Å; V186-F200 HydrophobicContact CB-CD2 4.21Å; V186-F200 HydrophobicContact CB-CE1 3.86Å; V186-F200 HydrophobicContact CB-CE2 3.65Å; V186-F200 HydrophobicContact CB-CZ 3.46Å; V186-F200 VanDerWaalsContact CB-CZ 3.46Å; V186-F200 HydrophobicContact CG1-CE1 4.07Å; V186-F200 HydrophobicContact CG1-CZ 3.85Å; V186-F200 HydrophobicContact CG2-CD2 4.38Å; V186-F200 HydrophobicContact CG2-CE2 3.57Å; V186-F200 HydrophobicContact CG2-CZ 3.69Å; V186-F200 PolarHBondContact N-O 3.05Å; V186-F200 PolarHBondContact O-N 3.28Å; V188-F200 HydrophobicContact CG2-CD1 4.01Å; V188-F200 HydrophobicContact CG2-CE1 4.04Å; F200-M235 HydrophobicContact CB-CE 4.39Å; F200-M235 HydrophobicContact CB-SD 4.39Å
201V91.9Very high89.3Confident0 Ų067.8 Ų67.80%035%0.345CS..EExtended strand (participates in β ladder)trans-128.9119.1-179.7-179.40000108.4L158 V160 L172 F176 V182 K184 A185 F203L158-V201 PolarHBondContact N-O 2.87Å; L158-V201 PolarHBondContact O-N 3.33Å; V160-V201 HydrophobicContact CG2-CG2 3.79Å; L172-V201 HydrophobicContact CD1-CG2 4.3Å; L172-V201 HydrophobicContact CD2-CG2 3.88Å; L172-V201 HydrophobicContact CG-CG2 3.84Å; F176-V201 HydrophobicContact CB-CG1 3.88Å; F176-V201 HydrophobicContact CB-CG2 4.46Å; F176-V201 HydrophobicContact CD1-CB 4.34Å; F176-V201 HydrophobicContact CD1-CG1 4.09Å; F176-V201 HydrophobicContact CD1-CG2 4.15Å; F176-V201 HydrophobicContact CD2-CG2 4.18Å; F176-V201 HydrophobicContact CE1-CG2 4.47Å; F176-V201 HydrophobicContact CG-CG1 4.09Å; F176-V201 HydrophobicContact CG-CG2 4Å; V182-V201 HydrophobicContact CG1-CG1 3.93Å; V182-V201 HydrophobicContact CG2-CG1 4.04Å; K184-V201 WeakPolarHBondContact O-CA 3.29Å; A185-V201 HydrophobicContact CB-CG2 4.17Å; V201-F203 HydrophobicContact CG1-CD2 4.1Å; V201-F203 HydrophobicContact CG1-CE2 3.72Å; V201-F203 HydrophobicContact CG1-CZ 4.1Å
202E89.8Confident89.5Confident13 Ų1359.6 Ų59.66%0.06130%0.302CS..EExtended strand (participates in β ladder)trans-102.4115.5178.4-71.5172129.100108.1R81 A157 E183 K184R81-E202 WeakPolarHBondContact CD-OE1 3.43Å; R81-E202 WeakPolarHBondContact CD-OE2 3.44Å; R81-E202 IonicContact CZ-OE1 2.93Å; R81-E202 IonicContact CZ-OE2 3.67Å; R81-E202 IonicContact NE-OE1 2.72Å; R81-E202 IonicContact NE-OE2 2.69Å; R81-E202 IonicContact NH1-OE1 2.6Å; R81-E202 PolarHBondContact NH1-OE1 3Å; R81-E202 IonicContact NH1-OE2 3.41Å; R81-E202 PolarHBondContact NH1-OE2 3.43Å; A157-E202 HydrophobicContact CB-CG 4.1Å; E183-E202 PolarHBondContact N-O 2.85Å; K184-E202 HydrophobicContact CB-CB 4.12Å; K184-E202 VanDerWaalsContact CB-OE2 3.29Å; K184-E202 WeakPolarHBondContact CB-OE2 3.32Å; K184-E202 VanDerWaalsContact CD-OE2 3.29Å; K184-E202 WeakPolarHBondContact CD-OE2 3.49Å; K184-E202 PolarHBondContact N-O 2.95Å; K184-E202 PolarHBondContact O-N 3.37Å
203F91.3Very high89.7Confident0 Ų052.7 Ų52.70%028%0.279CS..EExtended strand (participates in β ladder)trans-94.4148174.8-73.8-86.6000111.7H154 A156 L158 F176 F179 G180 V182 V201 A205 P208 A209 A212H154-F203 PolarHBondContact CE1-O 3.1Å; A156-F203 HydrophobicContact CB-CB 4.28Å; A156-F203 VanDerWaalsContact CB-O 3.26Å; A156-F203 WeakPolarHBondContact CB-O 3.47Å; A156-F203 PolarHBondContact O-N 3.19Å; L158-F203 HydrophobicContact CD1-CD2 4.25Å; L158-F203 HydrophobicContact CD1-CE2 3.8Å; F176-F203 HydrophobicContact CB-CZ 3.98Å; F176-F203 HydrophobicContact CD1-CE2 4.15Å; F176-F203 AromaticContact CD1-CZ 3.94Å; F176-F203 HydrophobicContact CD1-CZ 3.94Å; F176-F203 HydrophobicContact CG-CZ 4.48Å; F176-F203 WeakPolarHBondContact O-CE1 3.46Å; F179-F203 HydrophobicContact CB-CE1 4.15Å; F179-F203 HydrophobicContact CB-CZ 4.08Å; F179-F203 HydrophobicContact CD2-CZ 4.41Å; G180-F203 WeakPolarHBondContact O-CE1 3.38Å; V182-F203 HydrophobicContact CG2-CD1 3.94Å; V182-F203 HydrophobicContact CG2-CE1 3.62Å; V182-F203 HydrophobicContact CG2-CZ 4.18Å; V201-F203 HydrophobicContact CG1-CD2 4.1Å; V201-F203 HydrophobicContact CG1-CE2 3.72Å; V201-F203 HydrophobicContact CG1-CZ 4.1Å; F203-A205 PolarHBondContact O-N 3.19Å; F203-A205 VanDerWaalsContact O-N 3.09Å; F203-P208 HydrophobicContact CB-CB 4.22Å; F203-P208 HydrophobicContact CD1-CB 3.53Å; F203-P208 HydrophobicContact CE1-CB 4.02Å; F203-P208 HydrophobicContact CG-CB 3.98Å; F203-A209 HydrophobicContact CB-CB 4.27Å; F203-A209 HydrophobicContact CD2-CB 3.8Å; F203-A209 HydrophobicContact CG-CB 4.31Å; F203-A212 HydrophobicContact CE2-CB 3.95Å; F203-A212 HydrophobicContact CZ-CB 3.91Å
204A87.4Confident90Very high28 Ų2854.7 Ų54.723%0.23127%0.274CS..SBendtrans-62-21.5178.200000114.2Q80 P181 E183Q80-A204 PolarHBondContact NE2-O 3.13Å; P181-A204 HydrophobicContact CB-CB 4.35Å; P181-A204 HydrophobicContact CG-CB 4.19Å; P181-A204 PolarHBondContact O-N 3.06Å; E183-A204 VanDerWaalsContact CD-CA 3.47Å; E183-A204 HydrophobicContact CG-CB 3.7Å; E183-A204 WeakPolarHBondContact OE1-CA 3.42Å; E183-A204 WeakPolarHBondContact OE1-CB 3.27Å
205A86.8Confident90.2Very high39 Ų3956 Ų5632%0.32228%0.279SS..SBendtrans-146.8154.4-17900000112.3A156 F203 P208A156-A205 VanDerWaalsContact CB-C 3.49Å; A156-A205 WeakPolarHBondContact CB-O 3.17Å; F203-A205 PolarHBondContact O-N 3.19Å; F203-A205 VanDerWaalsContact O-N 3.09Å; A205-P208 HydrophobicContact CB-CG 4.5Å; A205-P208 VanDerWaalsContact O-CD 3.32Å; A205-P208 WeakPolarHBondContact O-CD 3.41Å
206K88.5Confident90.3Very high148 Ų14855.1 Ų55.164%0.64327%0.27SS*.Hα-helixtrans-63.5-35.2-180-167.9166.6-171.21740115.2G155 A209 R210G155-K206 WeakPolarHBondContact O-CG 3.5Å; K206-A209 PolarHBondContact O-N 3.21Å; K206-R210 PolarHBondContact O-N 2.97Å
207P91.5Very high90.1Very high85 Ų8555 Ų5555%0.55228%0.282SS*.Hα-helixtrans-65.3-44.4-179.4-19.431.4000114.5A209 R210 K211P207-A209 VanDerWaalsContact C-N 3.33Å; P207-A209 PolarHBondContact O-N 2.59Å; P207-R210 PolarHBondContact O-N 3.4Å; P207-K211 WeakPolarHBondContact O-CB 3.27Å; P207-K211 PolarHBondContact O-N 3.39Å
208P92.3Very high90Very high19 Ų1961.8 Ų61.812%0.12332%0.315CS..Hα-helixtrans-52.5-45.8167.4-31.336.4000114F203 A205 R210 K211 A212F203-P208 HydrophobicContact CB-CB 4.22Å; F203-P208 HydrophobicContact CD1-CB 3.53Å; F203-P208 HydrophobicContact CE1-CB 4.02Å; F203-P208 HydrophobicContact CG-CB 3.98Å; A205-P208 HydrophobicContact CB-CG 4.5Å; A205-P208 VanDerWaalsContact O-CD 3.32Å; A205-P208 WeakPolarHBondContact O-CD 3.41Å; P208-R210 PolarHBondContact O-N 2.94Å; P208-K211 PolarHBondContact O-N 2.82Å; P208-A212 PolarHBondContact O-N 3.3Å
209A91.3Very high89.5Confident4 Ų457.8 Ų57.83%0.03331%0.307CS..Hα-helixtrans-62.4-44.4179.500000112.2A156 L158 F203 K206 P207 A212 L213A156-A209 HydrophobicContact CB-CB 4.1Å; L158-A209 HydrophobicContact CD1-CB 4.26Å; L158-A209 WeakPolarHBondContact CD1-O 3.48Å; L158-A209 HydrophobicContact CD2-CB 4.25Å; L158-A209 HydrophobicContact CG-CB 4.19Å; F203-A209 HydrophobicContact CB-CB 4.27Å; F203-A209 HydrophobicContact CD2-CB 3.8Å; F203-A209 HydrophobicContact CG-CB 4.31Å; K206-A209 PolarHBondContact O-N 3.21Å; P207-A209 VanDerWaalsContact C-N 3.33Å; P207-A209 PolarHBondContact O-N 2.59Å; A209-A212 PolarHBondContact O-N 2.86Å; A209-L213 PolarHBondContact O-N 2.78Å
210R91.3Very high89.2Confident153 Ų15361.4 Ų61.458%0.57734%0.337SS*.Hα-helixtrans-63.5-43.1175.2-167.6-178.772.5-147.9-2.9111.9K206 P207 P208 A212 L213 E214K206-R210 PolarHBondContact O-N 2.97Å; P207-R210 PolarHBondContact O-N 3.4Å; P208-R210 PolarHBondContact O-N 2.94Å; R210-A212 VanDerWaalsContact C-N 3.31Å; R210-A212 PolarHBondContact O-N 2.81Å; R210-L213 WeakPolarHBondContact O-CB 3.39Å; R210-L213 PolarHBondContact O-N 2.9Å; R210-L213 VanDerWaalsContact O-N 3.16Å; R210-E214 HydrophobicContact CG-CG 4.31Å; R210-E214 IonicContact NE-OE1 3.95Å; R210-E214 PolarHBondContact NE-OE1 3.28Å; R210-E214 IonicContact NE-OE2 3.81Å; R210-E214 WeakPolarHBondContact O-CG 3.44Å; R210-E214 PolarHBondContact O-N 2.87Å
211K91.8Very high89.1Confident90 Ų9060.7 Ų60.739%0.39133%0.334SS..Hα-helixtrans-61.2-38.3177.3179.3-173.6166.6-158.90112F179 P207 P208 R215F179-K211 PolarHBondContact O-NZ 3.34Å; F179-K211 VanDerWaalsContact O-NZ 3.14Å; P207-K211 WeakPolarHBondContact O-CB 3.27Å; P207-K211 PolarHBondContact O-N 3.39Å; P208-K211 PolarHBondContact O-N 2.82Å; K211-R215 VanDerWaalsContact O-CB 3.23Å; K211-R215 WeakPolarHBondContact O-CB 3.42Å; K211-R215 WeakPolarHBondContact O-CG 3.42Å; K211-R215 PolarHBondContact O-N 2.92Å
212A91.7Very high89Confident0 Ų064.5 Ų64.50%035%0.353CS..Hα-helixtrans-66.7-43.6173.700000111.5L158 F176 F179 F203 P208 A209 R210 R215 C216L158-A212 HydrophobicContact CD1-CB 3.84Å; F176-A212 HydrophobicContact CD1-CB 4.33Å; F176-A212 HydrophobicContact CE1-CB 4.48Å; F179-A212 HydrophobicContact CB-CB 3.9Å; F179-A212 HydrophobicContact CD1-CB 4.28Å; F179-A212 HydrophobicContact CD2-CB 3.56Å; F179-A212 HydrophobicContact CE2-CB 4.09Å; F179-A212 HydrophobicContact CG-CB 3.65Å; F203-A212 HydrophobicContact CE2-CB 3.95Å; F203-A212 HydrophobicContact CZ-CB 3.91Å; P208-A212 PolarHBondContact O-N 3.3Å; A209-A212 PolarHBondContact O-N 2.86Å; R210-A212 VanDerWaalsContact C-N 3.31Å; R210-A212 PolarHBondContact O-N 2.81Å; A212-R215 PolarHBondContact O-N 3.26Å; A212-C216 VanDerWaalsContact O-CB 3.3Å; A212-C216 WeakPolarHBondContact O-CB 3.42Å; A212-C216 PolarHBondContact O-N 2.96Å; A212-C216 PolarHBondContact O-SG 3.46Å
213L91.5Very high88.9Confident52 Ų5265 Ų6527%0.27236%0.357SS..Hα-helixtrans-60.7-48.9176.9-172.571000112.1A209 R210 G217 V232 P234A209-L213 PolarHBondContact O-N 2.78Å; R210-L213 WeakPolarHBondContact O-CB 3.39Å; R210-L213 PolarHBondContact O-N 2.9Å; R210-L213 VanDerWaalsContact O-N 3.16Å; L213-G217 PolarHBondContact O-N 2.95Å; L213-V232 HydrophobicContact CD1-CG1 4.13Å; L213-V232 VanDerWaalsContact CD1-O 3.25Å; L213-V232 WeakPolarHBondContact CD1-O 3.23Å; L213-P234 HydrophobicContact CD1-CG 4.39Å; L213-P234 HydrophobicContact CD2-CG 3.95Å
214E90.8Very high88.8Confident96 Ų9666.5 Ų66.545%0.44937%0.366SS..Hα-helixtrans-59.8-49.7176.3-70162.9160.300110.6R210 C216 G217 D218R210-E214 HydrophobicContact CG-CG 4.31Å; R210-E214 IonicContact NE-OE1 3.95Å; R210-E214 PolarHBondContact NE-OE1 3.28Å; R210-E214 IonicContact NE-OE2 3.81Å; R210-E214 WeakPolarHBondContact O-CG 3.44Å; R210-E214 PolarHBondContact O-N 2.87Å; E214-C216 PolarHBondContact O-N 3.41Å; E214-G217 PolarHBondContact O-N 3.11Å; E214-D218 WeakPolarHBondContact O-CB 3.34Å; E214-D218 PolarHBondContact O-N 2.74Å
215R89.9Confident88.8Confident174 Ų17472.4 Ų72.466%0.65740%0.399SS*.Hα-helixtrans-67-34-177.1-75.1-72.4-173.9153.70.1114.8F179 K211 A212 G219F179-R215 HydrophobicContact CD1-CB 4.3Å; F179-R215 HydrophobicContact CD1-CG 4.37Å; F179-R215 HydrophobicContact CE1-CB 3.52Å; F179-R215 HydrophobicContact CE1-CG 3.92Å; F179-R215 HydrophobicContact CZ-CB 4.16Å; K211-R215 VanDerWaalsContact O-CB 3.23Å; K211-R215 WeakPolarHBondContact O-CB 3.42Å; K211-R215 WeakPolarHBondContact O-CG 3.42Å; K211-R215 PolarHBondContact O-N 2.92Å; A212-R215 PolarHBondContact O-N 3.26Å; R215-G219 PolarHBondContact O-N 2.75Å
216C88.3Confident88.8Confident10 Ų1073.7 Ų73.77%0.06840%0.403CS..Hα-helixtrans-89.6-14178.1-61.30000112.9A212 E214 F221 V232A212-C216 VanDerWaalsContact O-CB 3.3Å; A212-C216 WeakPolarHBondContact O-CB 3.42Å; A212-C216 PolarHBondContact O-N 2.96Å; A212-C216 PolarHBondContact O-SG 3.46Å; E214-C216 PolarHBondContact O-N 3.41Å; C216-F221 HydrophobicContact CB-CB 4.31Å; C216-F221 WeakPolarHBondContact SG-CD1 3.05Å; C216-V232 HydrophobicContact CB-CB 3.83Å; C216-V232 HydrophobicContact CB-CG2 3.44Å; C216-V232 VanDerWaalsContact CB-CG2 3.44Å
217G84.4Confident88.7Confident62 Ų6272 Ų7264%0.63941%0.407SS*.Hα-helixtrans-81.5-47.4170.300000112.3L213 E214L213-G217 PolarHBondContact O-N 2.95Å; E214-G217 PolarHBondContact O-N 3.11Å
218D84.8Confident88.5Confident158 Ų15873.7 Ų73.785%0.84540%0.403SS*.Hα-helixtrans-79.4-16.9-179-67.6-26000113.5E214E214-D218 WeakPolarHBondContact O-CB 3.34Å; E214-D218 PolarHBondContact O-N 2.74Å
219G81.1Confident88.4Confident35 Ų3575.4 Ų75.436%0.36141%0.414SS..SBendtrans-137.3150-170.900000114.1R215 F221R215-G219 PolarHBondContact O-N 2.75Å; G219-F221 PolarHBondContact O-N 3.47Å
220A85.2Confident88.4Confident79 Ų7975.5 Ų75.565%0.65341%0.414SS*.  trans-73.688.517400000110.9L222 P229A220-L222 PolarHBondContact O-N 2.96Å; A220-P229 HydrophobicContact CB-CB 4.13Å
221F89Confident88.4Confident30 Ų3072.2 Ų72.213%0.13241%0.407CS..  trans-78.8114.5175.5-170.7-132000110.8A175 F176 F179 C216 G219 L223 P229 V230A175-F221 HydrophobicContact CB-CE1 4.38Å; A175-F221 HydrophobicContact CB-CZ 4.03Å; F176-F221 HydrophobicContact CD2-CE1 4.17Å; F176-F221 HydrophobicContact CE2-CD1 4.36Å; F176-F221 AromaticContact CE2-CE1 3.83Å; F176-F221 HydrophobicContact CE2-CE1 3.83Å; F176-F221 HydrophobicContact CZ-CD1 4.36Å; F176-F221 HydrophobicContact CZ-CE1 4.19Å; F179-F221 HydrophobicContact CE2-CD1 4.29Å; F179-F221 AromaticContact CE2-CE1 3.8Å; F179-F221 HydrophobicContact CE2-CE1 3.8Å; F179-F221 AromaticContact CE2-CZ 4Å; F179-F221 HydrophobicContact CE2-CZ 4Å; F179-F221 HydrophobicContact CZ-CD1 4.31Å; F179-F221 HydrophobicContact CZ-CD2 4.48Å; F179-F221 HydrophobicContact CZ-CE1 4.13Å; F179-F221 HydrophobicContact CZ-CE2 4.34Å; F179-F221 HydrophobicContact CZ-CG 4.49Å; F179-F221 HydrophobicContact CZ-CZ 4.15Å; C216-F221 HydrophobicContact CB-CB 4.31Å; C216-F221 WeakPolarHBondContact SG-CD1 3.05Å; G219-F221 PolarHBondContact O-N 3.47Å; F221-L223 HydrophobicContact CD1-CD2 4.24Å; F221-L223 HydrophobicContact CE1-CD2 3.64Å; F221-L223 HydrophobicContact CZ-CD2 3.93Å; F221-P229 WeakPolarHBondContact O-CA 3.41Å; F221-V230 HydrophobicContact CB-CG2 4.12Å; F221-V230 HydrophobicContact CD1-CG2 3.59Å; F221-V230 HydrophobicContact CG-CG2 4.28Å; F221-V230 PolarHBondContact O-N 2.82Å
222L90.6Very high88.5Confident79 Ų7968.5 Ų68.541%0.41439%0.392SS..BIsolated β-bridgetrans-107.3128.3-176.2-58.5-179.7000110.5A220 R228 P229A220-L222 PolarHBondContact O-N 2.96Å; L222-R228 VanDerWaalsContact CD2-C 3.42Å; L222-R228 WeakPolarHBondContact CD2-O 3.35Å; L222-P229 HydrophobicContact CD2-CB 4.43Å
223L88.2Confident88.4Confident24 Ų2471.9 Ų71.913%0.12641%0.407CS..SBendtrans-95.1-11.6175.9-60.7-173.2000114L163 V167 L172 A175 F221 V230L163-L223 HydrophobicContact CD2-CD1 3.65Å; V167-L223 HydrophobicContact CG1-CD1 3.87Å; V167-L223 HydrophobicContact CG2-CB 4.05Å; V167-L223 HydrophobicContact CG2-CD1 4.04Å; L172-L223 HydrophobicContact CD1-CD1 3.85Å; A175-L223 HydrophobicContact CB-CD2 3.32Å; F221-L223 HydrophobicContact CD1-CD2 4.24Å; F221-L223 HydrophobicContact CE1-CD2 3.64Å; F221-L223 HydrophobicContact CZ-CD2 3.93Å; L223-V230 HydrophobicContact CD1-CG1 3.76Å; L223-V230 HydrophobicContact CG-CG1 3.73Å
224T88.9Confident88.3Confident31 Ų3173.3 Ų73.319%0.1942%0.42CS..SBendtrans-146.5165.4-169.560.80000110.4V166 V167 T226V166-T224 HydrophobicContact CG2-CG2 3.72Å; V167-T224 HydrophobicContact CG2-CG2 3.85Å; T224-T226 PolarHBondContact O-N 2.99Å; T224-T226 VanDerWaalsContact O-N 3.17Å; T224-T226 VanDerWaalsContact O-O 3.14Å; T224-T226 PolarHBondContact OG1-O 3.49Å; T224-T226 PolarHBondContact OG1-OG1 3.39Å
225T88.1Confident88Confident153 Ų15372 Ų7294%0.93942%0.415SS*.SBendtrans-59.1-24.8176.5-33.60000113.3
226T85.9Confident87.2Confident65 Ų6570.8 Ų70.840%0.39942%0.416SS..SBendtrans-75133.8173.357.30000110.4T224 R228T224-T226 PolarHBondContact O-N 2.99Å; T224-T226 VanDerWaalsContact O-N 3.17Å; T224-T226 VanDerWaalsContact O-O 3.14Å; T224-T226 PolarHBondContact OG1-O 3.49Å; T224-T226 PolarHBondContact OG1-OG1 3.39Å; T226-R228 PolarHBondContact O-N 2.96Å
227P87.3Confident86.3Confident112 Ų11274.4 Ų74.473%0.72743%0.432SS*.  trans-75.165.8-178.132.4-36.8000111.7
228R86.3Confident85.1Confident122 Ų12278.3 Ų78.346%0.4643%0.432SS..  trans-108.599.5174.5-70.7-171.8172.8-162.8-1.3109L222 T226 V230L222-R228 VanDerWaalsContact CD2-C 3.42Å; L222-R228 WeakPolarHBondContact CD2-O 3.35Å; T226-R228 PolarHBondContact O-N 2.96Å; R228-V230 PolarHBondContact O-N 2.94Å
229P89.8Confident84.1Confident55 Ų5575.3 Ų75.336%0.35742%0.416SS..BIsolated β-bridgetrans-67.1130.317527.9-33.2000109.7N162 A220 F221 L222N162-P229 PolarHBondContact ND2-O 3.17Å; A220-P229 HydrophobicContact CB-CB 4.13Å; F221-P229 WeakPolarHBondContact O-CA 3.41Å; L222-P229 HydrophobicContact CD2-CB 4.43Å
230V92.3Very high82.9Confident6 Ų680.8 Ų80.84%0.03644%0.437CS..PPolyproline II helixtrans-77.2138.8173.7-55.90000109.7V160 L163 F176 F221 L223 R228 V232V160-V230 HydrophobicContact CG1-CB 3.83Å; V160-V230 HydrophobicContact CG1-CG1 4.47Å; V160-V230 HydrophobicContact CG1-CG2 4.14Å; L163-V230 HydrophobicContact CD2-CB 4.42Å; L163-V230 HydrophobicContact CD2-CG1 3.76Å; F176-V230 HydrophobicContact CZ-CG2 4.36Å; F221-V230 HydrophobicContact CB-CG2 4.12Å; F221-V230 HydrophobicContact CD1-CG2 3.59Å; F221-V230 HydrophobicContact CG-CG2 4.28Å; F221-V230 PolarHBondContact O-N 2.82Å; L223-V230 HydrophobicContact CD1-CG1 3.76Å; L223-V230 HydrophobicContact CG-CG1 3.73Å; R228-V230 PolarHBondContact O-N 2.94Å; V230-V232 HydrophobicContact CG2-CG2 4.3Å
231I91.7Very high81.5Confident84 Ų8482.4 Ų82.443%0.43143%0.431SS..EExtended strand (participates in β ladder)trans-98.5122.8178.7-61.2169.8000106.7V160 K161 N162 E233V160-I231 CarbonylContact C-O 3.54Å; V160-I231 WeakPolarHBondContact CA-O 3.46Å; K161-I231 HydrophobicContact CB-CB 4.21Å; K161-I231 PolarHBondContact N-O 2.84Å; K161-I231 PolarHBondContact O-N 2.78Å; N162-I231 HydrophobicContact CB-CD1 4.22Å; N162-I231 HydrophobicContact CB-CG1 4.31Å; I231-E233 HydrophobicContact CG2-CG 4.37Å
232V92.6Very high80Confident12 Ų1283 Ų837%0.07344%0.435CS..EExtended strand (participates in β ladder)trans-110.9129.3179.9-1770000108.8L158 T159 V160 F176 L213 C216 V230L158-V232 HydrophobicContact CB-CG1 3.95Å; L158-V232 HydrophobicContact CD1-CG1 3.6Å; L158-V232 HydrophobicContact CG-CG1 4.24Å; T159-V232 WeakPolarHBondContact O-CA 3.4Å; V160-V232 HydrophobicContact CG1-CG2 4.34Å; V160-V232 HydrophobicContact CG2-CG2 4.42Å; F176-V232 HydrophobicContact CE1-CG1 4.45Å; F176-V232 HydrophobicContact CE1-CG2 3.84Å; F176-V232 HydrophobicContact CZ-CG2 3.7Å; L213-V232 HydrophobicContact CD1-CG1 4.13Å; L213-V232 VanDerWaalsContact CD1-O 3.25Å; L213-V232 WeakPolarHBondContact CD1-O 3.23Å; C216-V232 HydrophobicContact CB-CB 3.83Å; C216-V232 HydrophobicContact CB-CG2 3.44Å; C216-V232 VanDerWaalsContact CB-CG2 3.44Å; V230-V232 HydrophobicContact CG2-CG2 4.3Å
233E90.9Very high78.6Confident70 Ų7081.8 Ų81.833%0.32744%0.442SS..EExtended strand (participates in β ladder)trans-129.5153.8178.3-69.1171.3-159.200109.4L158 T159 K161 I231 M235L158-E233 CarbonylContact C-O 3.57Å; L158-E233 VanDerWaalsContact CA-O 3.31Å; L158-E233 WeakPolarHBondContact CA-O 3.38Å; T159-E233 PolarHBondContact N-O 3.41Å; T159-E233 PolarHBondContact O-N 3.44Å; K161-E233 WeakPolarHBondContact CE-OE1 3.41Å; K161-E233 WeakPolarHBondContact CE-OE2 3.3Å; K161-E233 IonicContact NZ-OE1 3.48Å; K161-E233 PolarHBondContact NZ-OE1 3.3Å; K161-E233 IonicContact NZ-OE2 2.77Å; K161-E233 PolarHBondContact NZ-OE2 3.4Å; I231-E233 HydrophobicContact CG2-CG 4.37Å; E233-M235 PolarHBondContact O-N 3.26Å
234P88.9Confident76.9Confident83 Ų8389 Ų8954%0.53948%0.48SS..EExtended strand (participates in β ladder)trans-57.5139.3166.5-18.432.2000110.1L213 E236L213-P234 HydrophobicContact CD1-CG 4.39Å; L213-P234 HydrophobicContact CD2-CG 3.95Å; P234-E236 PolarHBondContact O-N 2.74Å
235M82.9Confident75.6Confident68 Ų6892.2 Ų92.234%0.33550%0.502SS..PPolyproline II helixtrans-75.3117.7172.5-168.5175.3-163.700109.3A157 F200 E233 Q237A157-M235 HydrophobicContact CB-CB 3.78Å; A157-M235 HydrophobicContact CB-CG 4.39Å; A157-M235 HydrophobicContact CB-SD 3.82Å; A157-M235 WeakPolarHBondContact O-CB 3.41Å; A157-M235 PolarHBondContact O-N 3.21Å; F200-M235 HydrophobicContact CB-CE 4.39Å; F200-M235 HydrophobicContact CB-SD 4.39Å; E233-M235 PolarHBondContact O-N 3.26Å; M235-Q237 PolarHBondContact O-N 3.38Å
236E75.1Confident74.2Confident148 Ų14894.1 Ų94.169%0.69250%0.5SS*.PPolyproline II helixtrans-65.5120.2165.9-71.3-174142.300108.8P234 F238P234-E236 PolarHBondContact O-N 2.74Å; E236-F238 HydrophobicContact CB-CD2 4.37Å; E236-F238 HydrophobicContact CB-CE2 3.66Å; E236-F238 HydrophobicContact CB-CZ 4.03Å; E236-F238 WeakPolarHBondContact OE2-CZ 3.48Å
237Q67.6Low72.3Confident87 Ų87101 Ų10141%0.40752%0.524SS..  trans-89.2107.9170.1-106.9145.758.800108.2T153 H154 M235T153-Q237 VanDerWaalsContact C-OE1 3.29Å; T153-Q237 VanDerWaalsContact CB-OE1 3.27Å; H154-Q237 PolarHBondContact O-NE2 2.92Å; M235-Q237 PolarHBondContact O-N 3.38Å
238F60.2Low70.1Confident143 Ų143107.1 Ų107.163%0.62755%0.55SS*.  trans-81.5121.9164.4-62.8-84.1000107.6E236 D240E236-F238 HydrophobicContact CB-CD2 4.37Å; E236-F238 HydrophobicContact CB-CE2 3.66Å; E236-F238 HydrophobicContact CB-CZ 4.03Å; E236-F238 WeakPolarHBondContact OE2-CZ 3.48Å; F238-D240 VanDerWaalsContact C-N 3.33Å; F238-D240 PolarHBondContact O-N 3.23Å
239D62.8Low69.3Low95 Ų95106.4 Ų106.451%0.50855%0.554SS.*  trans-88.879.2172.4-169.9-16.1000108.1E241 D242D239-E241 PolarHBondContact O-N 2.87Å; D239-E241 PolarHBondContact OD1-N 2.96Å; D239-D242 PolarHBondContact OD1-N 2.83Å
240D56.1Low68.3Low150 Ų150109.1 Ų109.180%0.80256%0.564SS**THydrogen-bonded Turntrans-73.4-2.8179-59.7-49.7000112.5F238F238-D240 VanDerWaalsContact C-N 3.33Å; F238-D240 PolarHBondContact O-N 3.23Å
241E56.3Low66.9Low113 Ų113114.8 Ų114.853%0.52859%0.594SS.*THydrogen-bonded Turntrans-92-44.6-178-68.8-147.487.100113.7K134 D239K134-E241 IonicContact NZ-OE1 3.55Å; K134-E241 PolarHBondContact NZ-OE1 3.03Å; K134-E241 IonicContact NZ-OE2 3.12Å; K134-E241 PolarHBondContact NZ-OE2 3.04Å; D239-E241 PolarHBondContact O-N 2.87Å; D239-E241 PolarHBondContact OD1-N 2.96Å
242D57.9Low65.5Low42 Ų42116.6 Ų116.623%0.22560%0.603CS.*THydrogen-bonded Turntrans-90.4-24-177.3-90.7-43000113.8R148 R150 D239R148-D242 IonicContact CZ-OD1 3.98Å; R148-D242 IonicContact CZ-OD2 2.73Å; R148-D242 IonicContact NE-OD1 2.69Å; R148-D242 IonicContact NE-OD2 3.8Å; R148-D242 IonicContact NH2-OD1 3.76Å; R148-D242 PolarHBondContact NH2-OD1 2.93Å; R148-D242 IonicContact NH2-OD2 3.35Å; R148-D242 PolarHBondContact NH2-OD2 2.96Å; R150-D242 WeakPolarHBondContact CD-OD2 3.33Å; R150-D242 IonicContact CZ-OD1 3.69Å; R150-D242 VanDerWaalsContact CZ-OD1 3.31Å; R150-D242 IonicContact CZ-OD2 3.74Å; R150-D242 IonicContact NE-OD1 2.92Å; R150-D242 PolarHBondContact NE-OD1 3.23Å; R150-D242 IonicContact NE-OD2 2.73Å; R150-D242 PolarHBondContact NE-OD2 2.79Å; R150-D242 IonicContact NH2-OD1 3.97Å; R150-D242 PolarHBondContact NH2-OD1 2.94Å; R150-D242 IonicContact NH2-OD2 3.91Å; D239-D242 PolarHBondContact OD1-N 2.83Å
243G61.3Low63.8Low54 Ų54123.2 Ų123.256%0.55764%0.636SS**  trans55.3-154.8178.900000114.5
244L51.3Low62Low175 Ų175126.7 Ų126.792%0.91666%0.657SS**  trans-98.8110.1161.4-114.690000108.2E246L244-E246 PolarHBondContact O-N 3.45Å
245P61.5Low60Low100 Ų100129.9 Ų129.965%0.64967%0.666SS**  trans-65.9130167.526.8-32.6000109K247P245-K247 PolarHBondContact O-N 2.77Å; P245-K247 VanDerWaalsContact O-N 3.17Å
246E59Low58.3Low192 Ų192134.6 Ų134.690%0.89769%0.691SS**  trans-58122168.8-77.3-169123.200108.8L244 L248L244-E246 PolarHBondContact O-N 3.45Å; E246-L248 PolarHBondContact O-N 3.48Å; E246-L248 VanDerWaalsContact O-N 3.15Å
247K46.6Very low56.9Low210 Ų210133.5 Ų133.591%0.91369%0.691SS**  trans-72.1105.6168.3-77.2-174.2175.5-178.30108P245P245-K247 PolarHBondContact O-N 2.77Å; P245-K247 VanDerWaalsContact O-N 3.17Å
248L41.8Very low55.9Low241 Ų241137.7 Ų137.7100%1.26272%0.717SS**  trans-70.20163.3-143.678.9000110.6E246E246-L248 PolarHBondContact O-N 3.48Å; E246-L248 VanDerWaalsContact O-N 3.15Å

Retrieved 248 of 248 residues in 94 ms (Link to these results)