A0A077Z961_TRITR Loading...

Serine:threonine protein kinase mos

AlphaFold DB , UniProt , Accession A0A077Z961, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 416 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
1M32Very low29.9Very low242 Ų242151.4 Ų151.4100%1.19284%0.844SS**  0990-72.2-78.9-166.700108.8
2P35.8Very low29.5Very low127 Ų127151.5 Ų151.583%0.82584%0.842SS**  trans-117.6132.2144.430.6-18.3000109.4
3S31.1Very low29.1Very low113 Ų113147.4 Ų147.479%0.7984%0.84SS**  trans-59.6146.2-172.2-53.20000113.7L5S3-L5 PolarHBondContact O-N 3.48Å
4P33Very low28.8Very low119 Ų119145.5 Ų145.577%0.77383%0.832SS**  trans-76.5124.4169.330.4-28.9000109.7V6P4-V6 PolarHBondContact O-N 3.18Å
5L32.9Very low28.4Very low175 Ų175145.7 Ų145.792%0.91683%0.829SS**  trans-63.1112.2170.9-86.5155.9000109.5S3 Q7S3-L5 PolarHBondContact O-N 3.48Å; L5-Q7 PolarHBondContact O-N 3.47Å
6V30.2Very low28.2Very low133 Ų133143.1 Ų143.181%0.80682%0.817SS**PPolyproline II helixtrans-66.9120.41701760000108.5P4P4-V6 PolarHBondContact O-N 3.18Å
7Q27.9Very low27.9Very low178 Ų178143.1 Ų143.183%0.83281%0.814SS**PPolyproline II helixtrans-82.4137164.3-69.7-164.4-7.800109.6L5L5-Q7 PolarHBondContact O-N 3.47Å
8P26.6Very low27.8Very low108 Ų108144.9 Ų144.970%0.70181%0.814SS**PPolyproline II helixtrans-79.5158.8176.834.3-32.2000110.7
9P26.1Very low27.5Very low116 Ų116140.6 Ų140.675%0.75381%0.805SS**PPolyproline II helixtrans-77.5129.8-17631.9-31.2000110.3K11P9-K11 PolarHBondContact O-N 3.09Å
10L28.4Very low27.3Very low182 Ų182141.4 Ų141.495%0.95381%0.807SS**  trans-74.5110.4163.4-91.8107.2000108.9
11K25Very low27Very low172 Ų172137.9 Ų137.975%0.74880%0.802SS**  trans-108.9128161-78.4-173.1174.7-174.90108.5P9P9-K11 PolarHBondContact O-N 3.09Å
12D24.6Very low26.6Very low153 Ų153133 Ų13382%0.81878%0.779SS**  trans57.7138.4147.4-52.2-38.8000120.7
13A24.7Very low25.9Very low98 Ų98134 Ų13481%0.8178%0.776SS**  trans91.8123.1175.800000114
14V24.7Very low25.5Very low121 Ų121133.3 Ų133.373%0.73377%0.77SS**  cis-145.9135.326.2171.10000109.3V16V14-V16 HydrophobicContact CG1-CG2 4.15Å; V14-V16 PolarHBondContact O-N 2.85Å
15N22.6Very low24.9Very low148 Ų148136.2 Ų136.279%0.79177%0.773SS**  trans-64.5104.1169-167.24000109.4
16V25.3Very low24.4Very low105 Ų105132.9 Ų132.964%0.63676%0.76SS**  trans-108.7101169.3-168.50000107.1V14 H18V14-V16 HydrophobicContact CG1-CG2 4.15Å; V14-V16 PolarHBondContact O-N 2.85Å; V16-H18 PolarHBondContact O-N 2.93Å; V16-H18 VanDerWaalsContact O-N 3.11Å
17N22.8Very low24Very low142 Ų142131.8 Ų131.876%0.75976%0.758SS**  trans-49115.1166.3-91.9-29.7000109.3
18H25.8Very low23.8Very low177 Ų177128.7 Ų128.782%0.81975%0.754SS**  trans-103.485.2154.3-81.721.2000106.9V16V16-H18 PolarHBondContact O-N 2.93Å; V16-H18 VanDerWaalsContact O-N 3.11Å
19G22.1Very low23.7Very low62 Ų62129.8 Ų129.864%0.63976%0.764SS**  trans-79.3111.8160.600000107.8
20D24.6Very low23.7Very low156 Ų156128.1 Ų128.183%0.83477%0.768SS**  trans-145.963148.5-88.1-33000107.3
21G20.6Very low23.4Very low69 Ų69124.8 Ų124.871%0.71176%0.759SS**  trans-98.885.8160.300000108.1I23G21-I23 PolarHBondContact O-N 2.79Å
22I23.9Very low23.7Very low139 Ų139124.9 Ų124.971%0.71376%0.762SS**  trans-82.298169.8-63.1-177.6000107.8C24I22-C24 WeakPolarHBondContact CG2-SG 3.44Å
23I20.5Very low23.6Very low147 Ų147127.2 Ų127.275%0.75477%0.768SS**  trans-74.9111.3161.3-61171.6000106.4G21G21-I23 PolarHBondContact O-N 2.79Å
24C22.6Very low23.8Very low100 Ų100126.4 Ų126.468%0.67677%0.77SS**  trans-111.1107.3166.7-77.80000109.8I22I22-C24 WeakPolarHBondContact CG2-SG 3.44Å
25H21.1Very low23.8Very low179 Ų179129.1 Ų129.183%0.82978%0.78SS**  trans-64.1129.7160.9-88.5-86000109.9
26V22.9Very low23.9Very low105 Ų105125.5 Ų125.564%0.63678%0.778SS**  trans-92.8124.4166.3-177.20000108.4
27S21.7Very low23.9Very low110 Ų110128 Ų12877%0.76978%0.782SS**  trans-117.9136.4160.2-67.40000107.9
28P24.2Very low24.2Very low114 Ų114127 Ų12774%0.7478%0.783SS**  trans-98.6163.1-176.236.7-31.7000113.2
29S23.1Very low24.1Very low131 Ų131124.4 Ų124.492%0.91678%0.776SS**  trans101.2133.4157.975.90000118.9
30G26.9Very low24.2Very low81 Ų81128.8 Ų128.884%0.83578%0.783SS**  trans151.399.9164.300000114.4
31S22.8Very low24.3Very low111 Ų111129.5 Ų129.578%0.77679%0.785SS**  trans-80.4173.1179.644.70000115.4
32E29.2Very low24.4Very low174 Ų174131.3 Ų131.381%0.81378%0.782SS**  trans118.1100.8160.1-66.5179.7-176.600113.1
33E24Very low24.3Very low202 Ų202133.4 Ų133.494%0.94479%0.789SS**  67.9121.185.5-75.6-162.4177.300114.8
34G28.9Very low24.4Very low81 Ų81130.2 Ų130.284%0.83579%0.785SS**  trans164.992.5169.900000115.4
35N24.4Very low24.6Very low178 Ų178132.3 Ų132.395%0.95279%0.789SS**  trans-47.2150.1176.1-73.9-39.2000117
36G25.4Very low24.8Very low73 Ų73129.8 Ų129.875%0.75378%0.782SS**  trans151.193.7146.400000117.1
37H24.3Very low24.9Very low156 Ų156131.5 Ų131.572%0.72279%0.788SS**  trans-143.8164.7149.5-113.2-66.5000105.7D39H37-D39 IonicContact CE1-OD1 3.8Å; H37-D39 IonicContact CE1-OD2 3.26Å; H37-D39 PolarHBondContact CE1-OD2 3.12Å; H37-D39 VanDerWaalsContact CE1-OD2 3.26Å; H37-D39 IonicContact ND1-OD2 3.3Å; H37-D39 PolarHBondContact ND1-OD2 3.03Å
38P30.2Very low25Very low121 Ų121133 Ų13379%0.78679%0.787SS**  cis-141.8175.428.231.1-5.7000117.9
39D23.8Very low25.2Very low123 Ų123133.5 Ų133.566%0.65879%0.787SS**  trans-61.2153.4177.9-53.9-71.4000115.7H37H37-D39 IonicContact CE1-OD1 3.8Å; H37-D39 IonicContact CE1-OD2 3.26Å; H37-D39 PolarHBondContact CE1-OD2 3.12Å; H37-D39 VanDerWaalsContact CE1-OD2 3.26Å; H37-D39 IonicContact ND1-OD2 3.3Å; H37-D39 PolarHBondContact ND1-OD2 3.03Å
40I24.1Very low25.1Very low154 Ų154132.8 Ų132.879%0.7978%0.781SS**  trans-146.5111.7141.5-55.8-178.3000108.4T42I40-T42 HydrophobicContact CG2-CG2 4.47Å
41I24.8Very low25.5Very low171 Ų171133.7 Ų133.788%0.87777%0.772SS**  trans-134127.7152.3-61-178.9000107.5
42T23.5Very low25.4Very low107 Ų107139.2 Ų139.266%0.65678%0.778SS**  trans-94146.2-178.943.10000112.5I40I40-T42 HydrophobicContact CG2-CG2 4.47Å
43E22.6Very low25.1Very low184 Ų184140.2 Ų140.286%0.8678%0.779SS**  trans78.8124.5142.7-76.3-174.5-170.500122.8
44A22.9Very low25.1Very low79 Ų79135.6 Ų135.665%0.65378%0.776SS**  99.8142124.800000121.2
45D26.2Very low24.8Very low144 Ų144142.5 Ų142.577%0.7778%0.777SS**  trans78.5142.3159.3-58.5-28.1000117.6
46N23.9Very low24.9Very low126 Ų126141.6 Ų141.667%0.67477%0.771SS**  cis-176.3171.4-22.5-120.5-35.4000104
47D26.1Very low24.8Very low142 Ų142143.9 Ų143.976%0.75977%0.765SS**  trans79.5135.1166-46-29.9000115.6
48D24.4Very low24.9Very low142 Ų142144.4 Ų144.476%0.75977%0.768SS**  cis-174.1160.59.8-134.5-23.2000110.6
49V27.1Very low24.8Very low123 Ų123145 Ų14575%0.74577%0.77SS**  trans82.791.2149-170.30000122
50C21.8Very low25.1Very low116 Ų116144.4 Ų144.478%0.78477%0.772SS**  7.1173.4122-1410000122
51P34.9Very low25.2Very low101 Ų101148.2 Ų148.266%0.65678%0.777SS**  -127.6172.4-74.141.5-26.9000113.7
52Y21.4Very low25.6Very low227 Ų227151.9 Ų151.989%0.8978%0.78SS**  trans-176.4146.5138-117.7-91.2000114.3
53K21.9Very low26.1Very low194 Ų194156.4 Ų156.484%0.84379%0.785SS**  trans-65153.3-178.9-72.8165.2168.51690115.4
54A25.1Very low26.5Very low105 Ų105153 Ų15387%0.86877%0.769SS**  trans-154.7121.5135.300000113
55R22.9Very low26.9Very low226 Ų226155.4 Ų155.485%0.85377%0.771SS**  trans-81.2151.6158-88.3179.9178.6-171-0.8109
56L26Very low27.2Very low159 Ų159151.3 Ų151.383%0.83276%0.756SS**  trans-180102.7141.5-94.6157.4000108.9
57L23.9Very low27.6Very low122 Ų122148.1 Ų148.164%0.63974%0.744SS**  62.5107.6101-60.9-177.9000115.4
58E24.8Very low28Very low166 Ų166148.4 Ų148.478%0.77673%0.734SS**  82.1124.8111-72.2179.9-174.800113.7
59T28.5Very low28.6Very low135 Ų135144.3 Ų144.383%0.82871%0.714SS**  cis-151172.423.127.90000111.5
60P31Very low28.9Very low109 Ų109140.8 Ų140.871%0.70869%0.691SS**  trans-112.9146.5-147.638.4-28.1000115.2
61R26.2Very low29.5Very low235 Ų235142 Ų14289%0.88769%0.685SS**SBendtrans131.3-2.6152.1-74-177.7165.6-177.9-2.9118.5
62R32.9Very low29.6Very low247 Ų247145.7 Ų145.793%0.93269%0.686SS**SBendtrans-124.4-2.6172-72.4-172.1175.7-177.6-0.6117.2
63R33.1Very low30.3Very low202 Ų202139 Ų13976%0.76266%0.662SS**SBendtrans-86.5-11.2165.4-82.2-178.7178.1153.1-0.4114.5N65 A66 C67R63-N65 PolarHBondContact O-N 2.7Å; R63-N65 VanDerWaalsContact O-N 3.13Å; R63-A66 PolarHBondContact O-N 2.97Å; R63-C67 PolarHBondContact O-N 3.4Å
64H31.7Very low30.7Very low113 Ų113137.6 Ų137.652%0.52365%0.652SS.*THydrogen-bonded Turntrans-69.1-13.2-169.5-153.781.8000114.7R68H64-R68 VanDerWaalsContact O-CB 3.32Å; H64-R68 WeakPolarHBondContact O-CB 3.16Å; H64-R68 WeakPolarHBondContact O-CD 3.42Å; H64-R68 VanDerWaalsContact O-CG 3.29Å; H64-R68 WeakPolarHBondContact O-CG 3.25Å
65N31.9Very low30.9Very low130 Ų130137 Ų13770%0.69564%0.638SS**THydrogen-bonded Turntrans-97.6-28.9178.4-74.5-13.8000114.2R63R63-N65 PolarHBondContact O-N 2.7Å; R63-N65 VanDerWaalsContact O-N 3.13Å
66A32.1Very low31.5Very low57 Ų57131.4 Ų131.447%0.47163%0.631SS.*THydrogen-bonded Turntrans-84.8-39175.900000111.8R63 R68 V69 L70R63-A66 PolarHBondContact O-N 2.97Å; A66-R68 VanDerWaalsContact C-N 3.31Å; A66-R68 PolarHBondContact O-N 3.34Å; A66-V69 WeakPolarHBondContact O-CB 3.49Å; A66-V69 PolarHBondContact O-N 3.22Å; A66-L70 PolarHBondContact O-N 3.49Å
67C32.1Very low31.8Very low60 Ų60127.8 Ų127.841%0.40562%0.615SS.*Hα-helixtrans-69.5-26.2173.8-73.40000113R63 V69 L70 Q71R63-C67 PolarHBondContact O-N 3.4Å; C67-V69 PolarHBondContact O-N 2.97Å; C67-L70 PolarHBondContact O-N 3.46Å; C67-Q71 WeakPolarHBondContact O-CB 3.27Å; C67-Q71 PolarHBondContact O-N 2.75Å
68R35.2Very low32.2Very low147 Ų147127.3 Ų127.356%0.55561%0.613SS**Hα-helixtrans-68.5-24.4172.7-96.3-175.1151.5174.2-3.1113.6H64 A66 R72H64-R68 VanDerWaalsContact O-CB 3.32Å; H64-R68 WeakPolarHBondContact O-CB 3.16Å; H64-R68 WeakPolarHBondContact O-CD 3.42Å; H64-R68 VanDerWaalsContact O-CG 3.29Å; H64-R68 WeakPolarHBondContact O-CG 3.25Å; A66-R68 VanDerWaalsContact C-N 3.31Å; A66-R68 PolarHBondContact O-N 3.34Å; R68-R72 WeakPolarHBondContact O-CB 3.44Å; R68-R72 WeakPolarHBondContact O-CG 3.33Å; R68-R72 PolarHBondContact O-N 3.18Å
69V36.8Very low32.5Very low57 Ų57122.3 Ų122.335%0.34560%0.596SS.*Hα-helixtrans-74.8-46.3173.2171.90000108.8A66 C67 R72 F73A66-V69 WeakPolarHBondContact O-CB 3.49Å; A66-V69 PolarHBondContact O-N 3.22Å; C67-V69 PolarHBondContact O-N 2.97Å; V69-R72 PolarHBondContact O-N 2.76Å; V69-F73 HydrophobicContact CG1-CD2 3.88Å; V69-F73 HydrophobicContact CG1-CE2 3.29Å; V69-F73 HydrophobicContact CG1-CZ 4.27Å; V69-F73 WeakPolarHBondContact O-CD2 3.33Å; V69-F73 WeakPolarHBondContact O-CG 3.34Å; V69-F73 PolarHBondContact O-N 3.17Å
70L33.6Very low32.7Very low49 Ų49120 Ų12026%0.25758%0.584SS.*Hα-helixtrans-70.8-39.2178.5-67.8170000114.5A66 C67 R72 F73 Y74 F187A66-L70 PolarHBondContact O-N 3.49Å; C67-L70 PolarHBondContact O-N 3.46Å; L70-R72 PolarHBondContact O-N 3.1Å; L70-F73 PolarHBondContact O-N 3.43Å; L70-Y74 PolarHBondContact O-N 3.09Å; L70-F187 HydrophobicContact CD2-CD1 4.11Å; L70-F187 HydrophobicContact CD2-CE1 3.92Å
71Q34.6Very low32.8Very low142 Ų142122.8 Ų122.866%0.66459%0.588SS**Hα-helixtrans-67.4-24174.3-81.1-178.7-32.800112.5C67 F73 T75C67-Q71 WeakPolarHBondContact O-CB 3.27Å; C67-Q71 PolarHBondContact O-N 2.75Å; Q71-F73 VanDerWaalsContact C-N 3.35Å; Q71-T75 PolarHBondContact O-OG1 3.48Å; Q71-T75 VanDerWaalsContact O-OG1 3.05Å
72R35.4Very low33.1Very low178 Ų178119.9 Ų119.967%0.67259%0.585SS**Hα-helixtrans-76.8-20.2170.4-90.9179.6168.8177.7-5113.6R68 V69 L70R68-R72 WeakPolarHBondContact O-CB 3.44Å; R68-R72 WeakPolarHBondContact O-CG 3.33Å; R68-R72 PolarHBondContact O-N 3.18Å; V69-R72 PolarHBondContact O-N 2.76Å; L70-R72 PolarHBondContact O-N 3.1Å
73F37.3Very low33.2Very low86 Ų86115.5 Ų115.538%0.37757%0.568SS.*Hα-helixtrans-89.3-13.4-177.4-73.8-55.5000113.9V69 L70 Q71 C209V69-F73 HydrophobicContact CG1-CD2 3.88Å; V69-F73 HydrophobicContact CG1-CE2 3.29Å; V69-F73 HydrophobicContact CG1-CZ 4.27Å; V69-F73 WeakPolarHBondContact O-CD2 3.33Å; V69-F73 WeakPolarHBondContact O-CG 3.34Å; V69-F73 PolarHBondContact O-N 3.17Å; L70-F73 PolarHBondContact O-N 3.43Å; Q71-F73 VanDerWaalsContact C-N 3.35Å; F73-C209 HydrophobicContact CD1-CB 3.51Å; F73-C209 WeakPolarHBondContact CD1-SG 3.42Å; F73-C209 HydrophobicContact CE1-CB 3.68Å; F73-C209 VanDerWaalsContact CE1-SG 3.51Å; F73-C209 HydrophobicContact CG-CB 4.16Å; F73-C209 VanDerWaalsContact CG-SG 3.55Å; F73-C209 HydrophobicContact CZ-CB 4.41Å
74Y29.5Very low33.2Very low165 Ų165112.4 Ų112.465%0.64756%0.562SS**SBendtrans-112.110.5178.6-85.7-79.6000114.7L70L70-Y74 PolarHBondContact O-N 3.09Å
75T28.9Very low33.1Very low93 Ų93114.6 Ų114.657%0.57157%0.573SS**SBendtrans-139.5123.4170.850.60000110.5Q71Q71-T75 PolarHBondContact O-OG1 3.48Å; Q71-T75 VanDerWaalsContact O-OG1 3.05Å
76P35.8Very low33.1Very low108 Ų108111.7 Ų111.770%0.70156%0.563SS**  trans-77.5140.9171.233-29.6000108.5V135P76-V135 HydrophobicContact CB-CG2 4.26Å
77T32.8Very low33.1Very low83 Ų83113.1 Ų113.151%0.50957%0.565SS.*  cis-169.6179.95.7270000109.1V135T77-V135 HydrophobicContact CG2-CG1 4.48Å; T77-V135 HydrophobicContact CG2-CG2 3.61Å
78L32.1Very low33Very low112 Ų112116.5 Ų116.559%0.58658%0.579SS**  trans97.8122.5144-77152000123.1L133L78-L133 HydrophobicContact CD1-CD1 3.95Å
79S31.4Very low32.8Very low61 Ų61116.3 Ų116.343%0.42759%0.588SS.*  trans7474152.975.40000120Q81 R83S79-Q81 PolarHBondContact O-N 2.82Å; S79-R83 PolarHBondContact OG-NE 3.22Å; S79-R83 PolarHBondContact OG-NH2 2.86Å
80C32.6Very low32.6Very low85 Ų85121 Ų12157%0.57460%0.604SS**THydrogen-bonded Turntrans-85.275.5170.6-169.50000111.9
81Q33.1Very low32.5Very low169 Ų169124.5 Ų124.579%0.7962%0.621SS**THydrogen-bonded Turntrans-167.3-23.2149.1-113.9168.7-11.200113.6S79S79-Q81 PolarHBondContact O-N 2.82Å
82Q32.3Very low32.4Very low174 Ų174124.8 Ų124.881%0.81363%0.627SS**THydrogen-bonded Turntrans-97-6.9-179.7-74.1173.9-31.100115.1
83R34.2Very low32.1Very low154 Ų154125.4 Ų125.458%0.58164%0.635SS**SBendtrans-95.1-12.8-178.6-67.4-172.6-153.7-154.12.2115.5S79 E85 T87S79-R83 PolarHBondContact OG-NE 3.22Å; S79-R83 PolarHBondContact OG-NH2 2.86Å; R83-E85 VanDerWaalsContact C-N 3.35Å; R83-E85 PolarHBondContact O-N 3.38Å; R83-T87 PolarHBondContact O-OG1 3.46Å
84Q33.1Very low31.7Very low137 Ų137127 Ų12764%0.6465%0.651SS**Hα-helixtrans-71.5-27.6-177.9-81-179.3-32.500113
85E31.3Very low31.6Very low160 Ų160128.9 Ų128.975%0.74866%0.663SS**Hα-helixtrans-86.1-28.5-175.7-67.3-176156.900114.1R83R83-E85 VanDerWaalsContact C-N 3.35Å; R83-E85 PolarHBondContact O-N 3.38Å
86S30.6Very low31.6Very low69 Ų69132 Ų13248%0.48368%0.675SS.*Hα-helixtrans-80.1-25.6-178.1-175.70000113.9
87T32.5Very low31.2Very low86 Ų86132.5 Ų132.553%0.52868%0.679SS.*Hα-helixtrans-81.1-32.4-177.1-50.60000112.4R83 L89 K90 I91R83-T87 PolarHBondContact O-OG1 3.46Å; T87-L89 VanDerWaalsContact C-N 3.27Å; T87-L89 PolarHBondContact O-N 3.44Å; T87-K90 PolarHBondContact O-N 3.41Å; T87-I91 HydrophobicContact CG2-CD1 4.31Å; T87-I91 WeakPolarHBondContact O-CG1 3.4Å
88L30.8Very low30.9Very low131 Ų131140.1 Ų140.169%0.68670%0.698SS**Hα-helixtrans-65.6-28.4174.4-91.1155.6000112.6
89L30.3Very low30.9Very low143 Ų143143.2 Ų143.275%0.74971%0.714SS**Hα-helixtrans-80.4-17.4177.6-97.3104.9000114.9T87T87-L89 VanDerWaalsContact C-N 3.27Å; T87-L89 PolarHBondContact O-N 3.44Å
90K32.2Very low30.8Very low157 Ų157148.2 Ų148.268%0.68373%0.731SS**Hα-helixtrans-94.2-20.1-179.8-75.3-179.1178.9178.50114.3T87 N92T87-K90 PolarHBondContact O-N 3.41Å; K90-N92 VanDerWaalsContact C-N 3.3Å; K90-N92 PolarHBondContact O-N 2.63Å
91I32.8Very low30.7Very low121 Ų121153.2 Ų153.262%0.62175%0.746SS**G310 helixtrans-72-22.5179.8-66.8169.7000112.2T87 K93T87-I91 HydrophobicContact CG2-CD1 4.31Å; T87-I91 WeakPolarHBondContact O-CG1 3.4Å; I91-K93 PolarHBondContact O-N 2.94Å
92N30.9Very low30.7Very low148 Ų148153.9 Ų153.979%0.79175%0.746SS**G310 helixtrans-78.19.5179.4-81-20000115.6K90K90-N92 VanDerWaalsContact C-N 3.3Å; K90-N92 PolarHBondContact O-N 2.63Å
93K29Very low30.8Very low191 Ų191152.3 Ų152.383%0.8375%0.748SS**G310 helixtrans-118.58.4-177.9-76.5-168.8177.4-178.10116.4I91I91-K93 PolarHBondContact O-N 2.94Å
94V29.6Very low31.3Very low119 Ų119150.6 Ų150.672%0.72175%0.751SS**  trans-101.9106.3176-174.90000110.4L96V94-L96 PolarHBondContact O-N 3.27Å
95K27.1Very low31.8Very low205 Ų205149.8 Ų149.889%0.89177%0.767SS**  trans-65.9115.7167.7-88178.5172.9177.30108.9
96L28.6Very low32.2Very low159 Ų159146.2 Ų146.283%0.83277%0.765SS**PPolyproline II helixtrans-78.6137.8165.6-74.1162.5000109.5V94V94-L96 PolarHBondContact O-N 3.27Å
97P28.9Very low32.5Very low118 Ų118146.3 Ų146.377%0.76678%0.777SS**PPolyproline II helixtrans-69.8142.2175.5-3.217.5000110.9
98R26.6Very low32.4Very low244 Ų244149.8 Ų149.892%0.92179%0.788SS**PPolyproline II helixtrans-66.3130171.8-78.1178.7171.3168.3-4.2109.6
99L30.5Very low32.5Very low176 Ų176152.3 Ų152.392%0.92180%0.796SS**PPolyproline II helixtrans-77.5120.4164.8-76.4161.3000108.2
100E29.7Very low32.5Very low167 Ų167150.5 Ų150.578%0.7880%0.795SS**PPolyproline II helixtrans-86.1125.1168.2-72.2-175.2165.700109.3
101E30.7Very low32.3Very low190 Ų190153.6 Ų153.689%0.88880%0.803SS**PPolyproline II helixtrans-71.5126168.2-74.1178.1156.600109.5
102K32.9Very low32.1Very low183 Ų183152.6 Ų152.680%0.79681%0.808SS**  trans-115.5116.3164.9-74.3-172.4178.6178.40109.3
103T34.1Very low32Very low140 Ų140151.2 Ų151.286%0.85980%0.804SS**  trans-88.2135.516949.40000109.5
104N44.8Very low32Very low118 Ų118149.3 Ų149.363%0.63180%0.804SS**  trans-103.2152171.140-4.9000110.4A106 G107N104-A106 PolarHBondContact O-N 3.29Å; N104-G107 PolarHBondContact O-N 3.18Å
105A43.6Very low32Very low120 Ų120150.6 Ų150.699%0.99280%0.801SS**THydrogen-bonded Turntrans-70.521.2-160.600000116.9
106A40.1Very low32.1Very low85 Ų85145.5 Ų145.570%0.70280%0.797SS**THydrogen-bonded Turntrans-125.50.618000000114.9N104 E108N104-A106 PolarHBondContact O-N 3.29Å; A106-E108 VanDerWaalsContact C-N 3.32Å; A106-E108 PolarHBondContact O-N 3.24Å
107G36.2Very low32Very low71 Ų71142 Ų14273%0.73279%0.792SS**  trans70.913.6169.200000117N104N104-G107 PolarHBondContact O-N 3.18Å
108E31.8Very low31.9Very low160 Ų160142.6 Ų142.675%0.74879%0.793SS**  trans-108.2124.5178-69.4-175.2162.600112.2A106 S110A106-E108 VanDerWaalsContact C-N 3.32Å; A106-E108 PolarHBondContact O-N 3.24Å; E108-S110 PolarHBondContact O-N 3.45Å
109H32.7Very low31.9Very low184 Ų184140 Ų14085%0.85279%0.791SS**  trans-74.3113.5172.3-69.7-78000110
110S29.5Very low31.8Very low104 Ų104137.5 Ų137.573%0.72778%0.777SS**  trans-120.2126.9166.955.40000110.1E108E108-S110 PolarHBondContact O-N 3.45Å
111Y28.7Very low31.8Very low222 Ų222132.8 Ų132.887%0.87176%0.763SS**  trans-85.9113173.4-69.1-85.3000108.7
112S28.2Very low31.9Very low101 Ų101132.1 Ų132.171%0.70676%0.76SS**  trans-103121.1165.91790000108.6
113T29.8Very low31.9Very low118 Ų118131.8 Ų131.872%0.72476%0.761SS**  trans-99.382.8175.842.40000110.7H115T113-H115 PolarHBondContact O-N 3.2Å
114D27.4Very low31.7Very low152 Ų152132 Ų13281%0.81375%0.752SS**  trans-80.9102.1160.9-82.4-35.6000109.3A116D114-A116 PolarHBondContact O-N 3.44Å; D114-A116 VanDerWaalsContact O-N 3.11Å
115H31.2Very low31Very low146 Ų146131 Ų13168%0.67675%0.75SS**  trans-73.395170.8-82.2-67.7000110.4T113 A117T113-H115 PolarHBondContact O-N 3.2Å; H115-A117 PolarHBondContact O-N 2.86Å; H115-A117 VanDerWaalsContact O-N 3.15Å
116A27.4Very low30.2Very low97 Ų97130.7 Ų130.780%0.80274%0.735SS**  trans-69.9102.7157.700000108.7D114 V118D114-A116 PolarHBondContact O-N 3.44Å; D114-A116 VanDerWaalsContact O-N 3.11Å; A116-V118 PolarHBondContact O-N 3.41Å
117A26.4Very low29.7Very low87 Ų87131.4 Ų131.472%0.71974%0.735SS**  trans-65.8117.5170.500000109.3H115 Q119H115-A117 PolarHBondContact O-N 2.86Å; H115-A117 VanDerWaalsContact O-N 3.15Å; A117-Q119 PolarHBondContact O-N 3.44Å; A117-Q119 VanDerWaalsContact O-N 3.12Å
118V27.9Very low29.3Very low130 Ų130135.5 Ų135.579%0.78874%0.74SS**  trans-71.9101.9164.5176.70000106.7A116 I120A116-V118 PolarHBondContact O-N 3.41Å; V118-I120 HydrophobicContact CG1-CG1 4.38Å; V118-I120 PolarHBondContact O-N 3.13Å
119Q25.5Very low29Very low189 Ų189135.6 Ų135.688%0.88374%0.74SS**PPolyproline II helixtrans-71.7116.7168-76-173.8-54.500108.6A117A117-Q119 PolarHBondContact O-N 3.44Å; A117-Q119 VanDerWaalsContact O-N 3.12Å
120I29.9Very low28.7Very low124 Ų124135.8 Ų135.864%0.63674%0.741SS**PPolyproline II helixtrans-95.8121.3161.2-58.8175.2000105.3V118V118-I120 HydrophobicContact CG1-CG1 4.38Å; V118-I120 PolarHBondContact O-N 3.13Å
121S29.1Very low28.6Very low68 Ų68139.2 Ų139.248%0.47675%0.746SS.*PPolyproline II helixtrans-66.8138.5-179.851.50000111.5E123 Q124S121-E123 PolarHBondContact O-N 3.48Å; S121-Q124 PolarHBondContact O-N 3.05Å
122E32.4Very low28.4Very low176 Ų176135.8 Ų135.882%0.82275%0.748SS**G310 helixtrans-56.7-20.8-178.8-74174.4151.400114Q124 V125E122-Q124 VanDerWaalsContact C-N 3.26Å; E122-Q124 PolarHBondContact O-N 3.38Å; E122-V125 PolarHBondContact O-N 2.82Å
123E32.3Very low28.2Very low176 Ų176136.2 Ų136.282%0.82274%0.742SS**G310 helixtrans-70.3-13.2178.6-70.5176.7159.900114.7S121S121-E123 PolarHBondContact O-N 3.48Å
124Q30.3Very low27.9Very low145 Ų145139.2 Ų139.268%0.67875%0.748SS**G310 helixtrans-90.1-7.8174.8-72.7-162.9-29.500114.2S121 E122S121-Q124 PolarHBondContact O-N 3.05Å; E122-Q124 VanDerWaalsContact C-N 3.26Å; E122-Q124 PolarHBondContact O-N 3.38Å
125V31Very low27.8Very low97 Ų97136.4 Ų136.459%0.58874%0.736SS**THydrogen-bonded Turntrans-89-17.8-179-178.70000112.1E122 S127E122-V125 PolarHBondContact O-N 2.82Å; V125-S127 VanDerWaalsContact C-N 3.34Å; V125-S127 PolarHBondContact O-N 3.26Å
126V27.2Very low27.4Very low112 Ų112136.8 Ų136.868%0.67974%0.738SS**THydrogen-bonded Turntrans-88.212.7-170.8-174.40000114.2
127S29Very low27.7Very low100 Ų100136.6 Ų136.670%0.69973%0.729SS**THydrogen-bonded Turntrans-109.316.3178.947.90000115.1V125V125-S127 VanDerWaalsContact C-N 3.34Å; V125-S127 PolarHBondContact O-N 3.26Å
128L27.9Very low28Very low158 Ų158142 Ų14283%0.82773%0.732SS**SBendtrans-129.49.4-178.5-71.4170.5000115.2
129E26.3Very low28.7Very low161 Ų161139.9 Ų139.975%0.75272%0.721SS**  trans-99.313.2-173.3-72.1-173.7146.300115.7
130Q26.1Very low30Very low189 Ų189131.1 Ų131.188%0.88368%0.681SS**  trans-120.378.2175.2-72-169.9-24.700112
131E27Very low31.3Very low176 Ų176130 Ų13082%0.82268%0.681SS**  trans-159.480.6153.6-113.1173.6-158.600109.6L133E131-L133 PolarHBondContact O-N 3.48Å; E131-L133 VanDerWaalsContact O-N 3.1Å
132T23.9Very low32.8Very low150 Ų150127.8 Ų127.892%0.9266%0.663SS**  trans-70.695.9172.3-13.40000109.1
133L23.9Very low33.6Very low110 Ų110123 Ų12358%0.57664%0.64SS**  trans-95.8110.8170-100.2145.6000109.4L78 E131 V135L78-L133 HydrophobicContact CD1-CD1 3.95Å; E131-L133 PolarHBondContact O-N 3.48Å; E131-L133 VanDerWaalsContact O-N 3.1Å; L133-V135 PolarHBondContact O-N 2.98Å; L133-V135 VanDerWaalsContact O-N 3.13Å
134Q23Very low34.1Very low180 Ų180121.5 Ų121.584%0.84164%0.644SS**  trans-54.7112.8169.4-71.3-179.7-23.600109.5
135V25.8Very low35.1Very low94 Ų94116.3 Ų116.357%0.5763%0.625SS**  trans-92.3100168.1-176.30000106.3P76 T77 L133P76-V135 HydrophobicContact CB-CG2 4.26Å; T77-V135 HydrophobicContact CG2-CG1 4.48Å; T77-V135 HydrophobicContact CG2-CG2 3.61Å; L133-V135 PolarHBondContact O-N 2.98Å; L133-V135 VanDerWaalsContact O-N 3.13Å
136E24Very low36.2Very low154 Ų154114.1 Ų114.172%0.7261%0.61SS**  trans-63.2142.5168.7-69.6-144160.400110.2Y138E136-Y138 PolarHBondContact O-N 3.02Å
137P33.1Very low37.6Very low93 Ų93111.9 Ų111.960%0.60460%0.599SS**  trans-65.898.4178.326.7-31.3000109.1P139P137-P139 WeakPolarHBondContact O-CD 3.49Å
138Y32.5Very low39Very low199 Ų199113.7 Ų113.778%0.7860%0.597SS**PPolyproline II helixtrans-62.2120.5174.4-126.1-91.8000108.3E136 S140 F210E136-Y138 PolarHBondContact O-N 3.02Å; Y138-S140 PolarHBondContact O-N 3.46Å; Y138-F210 WeakPolarHBondContact O-CE2 3.46Å
139P43.4Very low40.5Very low86 Ų86111.4 Ų111.456%0.55858%0.577SS**PPolyproline II helixtrans-54138.4175.421.8-31000108.7P137P137-P139 WeakPolarHBondContact O-CD 3.49Å
140S51.3Low42.2Very low6 Ų6106 Ų1064%0.04255%0.553CS.*PPolyproline II helixtrans-54.4133178.689.60000107.2Y138 W142 Q143Y138-S140 PolarHBondContact O-N 3.46Å; S140-W142 PolarHBondContact O-N 2.79Å; S140-W142 VanDerWaalsContact OG-CD1 3.27Å; S140-W142 PolarHBondContact OG-NE1 3.41Å; S140-Q143 WeakPolarHBondContact O-CB 3.38Å; S140-Q143 PolarHBondContact O-N 3.4Å; S140-Q143 VanDerWaalsContact OG-CB 3.3Å; S140-Q143 WeakPolarHBondContact OG-CB 3.22Å; S140-Q143 WeakPolarHBondContact OG-CG 3.39Å; S140-Q143 PolarHBondContact OG-N 3.3Å; S140-Q143 VanDerWaalsContact OG-N 3.08Å
141P57Low43.2Very low100 Ų100100.4 Ų100.465%0.64955%0.546SS*.THydrogen-bonded Turntrans-56.6-15.6-172.5-23.528.3000114.6
142W61.1Low44.2Very low21 Ų2194.2 Ų94.28%0.0852%0.522CS..THydrogen-bonded Turntrans-109.12.8178.93883.3000114.2S140 T144 A145 L146 S163 F164 I171 C208 E215 V217S140-W142 PolarHBondContact O-N 2.79Å; S140-W142 VanDerWaalsContact OG-CD1 3.27Å; S140-W142 PolarHBondContact OG-NE1 3.41Å; W142-T144 VanDerWaalsContact C-N 3.25Å; W142-T144 PolarHBondContact O-N 3.28Å; W142-A145 CarbonylContact O-C 3.51Å; W142-A145 WeakPolarHBondContact O-CA 3.26Å; W142-A145 PolarHBondContact O-N 2.84Å; W142-L146 PolarHBondContact O-N 3.39Å; W142-S163 VanDerWaalsContact CB-O 3.32Å; W142-S163 WeakPolarHBondContact CB-O 3.43Å; W142-F164 HydrophobicContact CE3-CD2 4.07Å; W142-F164 HydrophobicContact CZ3-CD2 4.14Å; W142-F164 HydrophobicContact CZ3-CE2 4.22Å; W142-I171 HydrophobicContact CB-CD1 4.05Å; W142-I171 VanDerWaalsContact CD1-CD1 3.48Å; W142-I171 HydrophobicContact CG-CD1 3.83Å; W142-C208 HydrophobicContact CH2-CB 3.95Å; W142-C208 WeakPolarHBondContact CH2-SG 3.41Å; W142-C208 HydrophobicContact CZ2-CB 3.48Å; W142-C208 VanDerWaalsContact CZ2-CB 3.48Å; W142-C208 WeakPolarHBondContact CZ2-SG 3.39Å; W142-E215 PolarHBondContact NE1-OE2 3.28Å; W142-V217 HydrophobicContact CZ2-CG2 4.47Å
143Q49Very low45.4Very low75 Ų7593.6 Ų93.635%0.3551%0.508SS..G310 helixtrans-64.1-31.4-177.8-119.4167.9-11.800112.2S140 A145 L146S140-Q143 WeakPolarHBondContact O-CB 3.38Å; S140-Q143 PolarHBondContact O-N 3.4Å; S140-Q143 VanDerWaalsContact OG-CB 3.3Å; S140-Q143 WeakPolarHBondContact OG-CB 3.22Å; S140-Q143 WeakPolarHBondContact OG-CG 3.39Å; S140-Q143 PolarHBondContact OG-N 3.3Å; S140-Q143 VanDerWaalsContact OG-N 3.08Å; Q143-A145 PolarHBondContact O-N 2.99Å; Q143-L146 HydrophobicContact CG-CD1 4.01Å
144T43.8Very low46.7Very low146 Ų14689.8 Ų89.890%0.89650%0.495SS*.G310 helixtrans-69.9-5.217339.30000113.7W142W142-T144 VanDerWaalsContact C-N 3.25Å; W142-T144 PolarHBondContact O-N 3.28Å
145A50.6Low48.2Very low35 Ų3585.2 Ų85.229%0.28950%0.497SS..G310 helixtrans-126.35.9-178.400000114.1W142 Q143 S147 G162W142-A145 CarbonylContact O-C 3.51Å; W142-A145 WeakPolarHBondContact O-CA 3.26Å; W142-A145 PolarHBondContact O-N 2.84Å; Q143-A145 PolarHBondContact O-N 2.99Å; A145-S147 VanDerWaalsContact C-N 3.34Å; A145-S147 PolarHBondContact O-N 3.33Å; A145-G162 WeakPolarHBondContact O-CA 3.26Å
146L54.1Low49.9Very low52 Ų5283.8 Ų83.827%0.27248%0.483SS..  trans-65.695.4174.8-81.8165.2000109.2W142 Q143 Y160 I171W142-L146 PolarHBondContact O-N 3.39Å; Q143-L146 HydrophobicContact CG-CD1 4.01Å; L146-Y160 HydrophobicContact CD2-CD1 4.34Å; L146-Y160 HydrophobicContact CD2-CD2 4.39Å; L146-Y160 HydrophobicContact CD2-CG 3.81Å; L146-I171 HydrophobicContact CD2-CD1 3.76Å; L146-I171 HydrophobicContact CG-CD1 4.47Å
147S57.4Low52.1Low65 Ų6576.5 Ų76.546%0.45545%0.449SS..EExtended strand (participates in β ladder)trans-103.5127.7175.662.90000108.3A145 I161A145-S147 VanDerWaalsContact C-N 3.34Å; A145-S147 PolarHBondContact O-N 3.33Å; S147-I161 PolarHBondContact N-O 2.8Å; S147-I161 WeakPolarHBondContact O-CB 3.45Å; S147-I161 PolarHBondContact O-N 2.8Å
148E58.4Low54.4Low137 Ų13772.2 Ų72.264%0.6442%0.422SS*.EExtended strand (participates in β ladder)trans50.9121.3166.7-155.5173.2172.100117.1L150 I161E148-L150 PolarHBondContact O-N 2.82Å; E148-I161 PolarHBondContact O-N 3.08Å
149R59.6Low56.9Low110 Ų11064.2 Ų64.242%0.41539%0.393SS..EExtended strand (participates in β ladder)trans-66.1128171.5-170.9179.1-175.1-160-0.5108.1G151 S158 Y160R149-G151 PolarHBondContact O-N 3.35Å; R149-S158 PolarHBondContact NH2-OG 3.48Å; R149-Y160 HydrophobicContact CB-CD1 4.32Å; R149-Y160 HydrophobicContact CB-CE1 4.31Å; R149-Y160 HydrophobicContact CG-CD1 4.49Å; R149-Y160 HydrophobicContact CG-CE1 4.27Å
150L60.4Low59Low49 Ų4962.7 Ų62.726%0.25738%0.377SS..EExtended strand (participates in β ladder)trans-69.420.9-176.5-87.6172.2000114.9E148 C152 V159 I161 Y220E148-L150 PolarHBondContact O-N 2.82Å; L150-C152 PolarHBondContact O-N 3.48Å; L150-C152 PolarHBondContact O-SG 3.01Å; L150-C152 VanDerWaalsContact O-SG 3.34Å; L150-V159 HydrophobicContact CD1-CG1 4.05Å; L150-V159 PolarHBondContact N-O 3.29Å; L150-V159 VanDerWaalsContact N-O 3.1Å; L150-I161 HydrophobicContact CD1-CD1 4.45Å; L150-I161 HydrophobicContact CD1-CG1 3.68Å; L150-I161 HydrophobicContact CD2-CD1 3.6Å; L150-I161 HydrophobicContact CD2-CG1 3.66Å; L150-I161 HydrophobicContact CG-CD1 4.04Å; L150-I161 HydrophobicContact CG-CG1 3.48Å; L150-I161 VanDerWaalsContact CG-CG1 3.48Å; L150-Y220 HydrophobicContact CD1-CE2 4.1Å; L150-Y220 HydrophobicContact CD2-CE2 4.37Å
151G48Very low60.7Low70 Ų7064 Ų6472%0.72238%0.383SS*.EExtended strand (participates in β ladder)trans65.3-12-179.300000115.6R149 Q153R149-G151 PolarHBondContact O-N 3.35Å; G151-Q153 PolarHBondContact O-N 3.42Å
152C48.9Very low62.2Low47 Ų4759.4 Ų59.432%0.31835%0.354SS..EExtended strand (participates in β ladder)trans-92.298.3-176.8-59.90000110.6L150 G154L150-C152 PolarHBondContact O-N 3.48Å; L150-C152 PolarHBondContact O-SG 3.01Å; L150-C152 VanDerWaalsContact O-SG 3.34Å; C152-G154 PolarHBondContact O-N 3.17Å
153Q48.6Very low63.5Low136 Ų13660.4 Ų60.464%0.63636%0.364SS*.EExtended strand (participates in β ladder)trans-82.590.9159.4-162165.2-5.400107.1G151G151-Q153 PolarHBondContact O-N 3.42Å
154G50.7Low65.3Low30 Ų3059 Ų5931%0.30936%0.357SS..EExtended strand (participates in β ladder)trans-70.9157.2171.700000109.9C152 F156 G157C152-G154 PolarHBondContact O-N 3.17Å; G154-F156 PolarHBondContact O-N 3.31Å; G154-G157 PolarHBondContact N-O 2.81Å; G154-G157 PolarHBondContact O-N 3.26Å; G154-G157 VanDerWaalsContact O-N 3.15Å
155G55.3Low67.3Low84 Ų8458.7 Ų58.787%0.86635%0.35SS*.THydrogen-bonded Turntrans-57.6-8.9-179.800000115.4
156F60.2Low69.1Low64 Ų6460.4 Ų60.428%0.28137%0.371SS..THydrogen-bonded Turntrans-118.3-8.2-175.8-54.4-74.4000114.3G154 L174 H175 S186 C287G154-F156 PolarHBondContact O-N 3.31Å; F156-L174 HydrophobicContact CB-CD2 4.38Å; F156-L174 WeakPolarHBondContact O-CA 3.49Å; F156-H175 PolarHBondContact O-N 2.98Å; F156-S186 WeakPolarHBondContact CD1-OG 3.24Å; F156-C287 WeakPolarHBondContact CZ-SG 3.31Å
157G71.3Confident70.7Confident2 Ų265.2 Ų65.22%0.02139%0.39CS..EExtended strand (participates in β ladder)trans176.5173-16500000116.3G154 R173 H175G154-G157 PolarHBondContact N-O 2.81Å; G154-G157 PolarHBondContact O-N 3.26Å; G154-G157 VanDerWaalsContact O-N 3.15Å; G157-R173 CarbonylContact C-O 3.56Å; G157-R173 WeakPolarHBondContact CA-O 3.47Å; G157-H175 VanDerWaalsContact C-CD2 3.48Å; G157-H175 WeakPolarHBondContact CA-CD2 3.49Å
158S81.3Confident72.3Confident3 Ų366.4 Ų66.42%0.02140%0.396CS..EExtended strand (participates in β ladder)trans-106.9137.3165.7-69.20000109.6R149 R173 H175R149-S158 PolarHBondContact NH2-OG 3.48Å; S158-R173 PolarHBondContact N-O 3.1Å; S158-R173 PolarHBondContact O-N 3.14Å; S158-H175 PolarHBondContact N-NE2 2.91Å; S158-H175 PolarHBondContact OG-CE1 2.88Å; S158-H175 PolarHBondContact OG-NE2 3.16Å
159V85.6Confident73.8Confident30 Ų3059.9 Ų59.918%0.18237%0.365CS..EExtended strand (participates in β ladder)trans-108.4133.6178.6-170.30000110.1L150 A170 I171 K172L150-V159 HydrophobicContact CD1-CG1 4.05Å; L150-V159 PolarHBondContact N-O 3.29Å; L150-V159 VanDerWaalsContact N-O 3.1Å; V159-A170 HydrophobicContact CG1-CB 4.24Å; V159-I171 WeakPolarHBondContact CA-O 3.34Å; V159-K172 HydrophobicContact CG2-CB 4.18Å; V159-K172 HydrophobicContact CG2-CG 4.11Å
160Y86.6Confident75.3Confident54 Ų5455.3 Ų55.321%0.21235%0.351CS..EExtended strand (participates in β ladder)trans-122.5150.3-179.9-56.2-92.4000110.3L146 R149 A170 I171 R173L146-Y160 HydrophobicContact CD2-CD1 4.34Å; L146-Y160 HydrophobicContact CD2-CD2 4.39Å; L146-Y160 HydrophobicContact CD2-CG 3.81Å; R149-Y160 HydrophobicContact CB-CD1 4.32Å; R149-Y160 HydrophobicContact CB-CE1 4.31Å; R149-Y160 HydrophobicContact CG-CD1 4.49Å; R149-Y160 HydrophobicContact CG-CE1 4.27Å; Y160-A170 WeakPolarHBondContact O-CA 3.39Å; Y160-I171 PolarHBondContact N-O 2.68Å; Y160-I171 PolarHBondContact O-N 3.38Å; Y160-R173 HydrophobicContact CE2-CB 4.1Å
161I87.9Confident76.7Confident33 Ų3353 Ų5317%0.16934%0.339CS..EExtended strand (participates in β ladder)trans-82.1135.1162.5-48.2-176.2000107.9S147 E148 L150 Y220S147-I161 PolarHBondContact N-O 2.8Å; S147-I161 WeakPolarHBondContact O-CB 3.45Å; S147-I161 PolarHBondContact O-N 2.8Å; E148-I161 PolarHBondContact O-N 3.08Å; L150-I161 HydrophobicContact CD1-CD1 4.45Å; L150-I161 HydrophobicContact CD1-CG1 3.68Å; L150-I161 HydrophobicContact CD2-CD1 3.6Å; L150-I161 HydrophobicContact CD2-CG1 3.66Å; L150-I161 HydrophobicContact CG-CD1 4.04Å; L150-I161 HydrophobicContact CG-CG1 3.48Å; L150-I161 VanDerWaalsContact CG-CG1 3.48Å; I161-Y220 HydrophobicContact CD1-CE2 3.87Å; I161-Y220 HydrophobicContact CG1-CE2 4.07Å
162G88.4Confident78.6Confident5 Ų550.6 Ų50.65%0.05231%0.309CS..EExtended strand (participates in β ladder)trans-142.3-165.8171.600000112.1A145 P168 A169A145-G162 WeakPolarHBondContact O-CA 3.26Å; G162-P168 WeakPolarHBondContact O-CA 3.31Å; G162-A169 PolarHBondContact N-O 2.83Å; G162-A169 PolarHBondContact O-N 3.12Å
163S88Confident80.3Confident42 Ų4251.3 Ų51.329%0.29431%0.305SS..EExtended strand (participates in β ladder)trans-123131.6174.9-1770000110.1W142 K167W142-S163 VanDerWaalsContact CB-O 3.32Å; W142-S163 WeakPolarHBondContact CB-O 3.43Å; S163-K167 CarbonylContact C-O 3.55Å; S163-K167 WeakPolarHBondContact CA-O 3.39Å
164F86.1Confident81.7Confident45 Ų4545 Ų4520%0.19728%0.276CS..EExtended strand (participates in β ladder)trans-125.5120.9172.1-178.9-101.8000109W142 G166 K167 A169 L205 T206 V217W142-F164 HydrophobicContact CE3-CD2 4.07Å; W142-F164 HydrophobicContact CZ3-CD2 4.14Å; W142-F164 HydrophobicContact CZ3-CE2 4.22Å; F164-G166 PolarHBondContact O-N 2.97Å; F164-K167 PolarHBondContact N-O 2.68Å; F164-K167 PolarHBondContact O-N 3.16Å; F164-A169 HydrophobicContact CB-CB 3.77Å; F164-L205 HydrophobicContact CB-CD1 4.37Å; F164-L205 HydrophobicContact CD1-CB 4.13Å; F164-L205 HydrophobicContact CD1-CD1 3.8Å; F164-L205 HydrophobicContact CE1-CB 4.06Å; F164-L205 HydrophobicContact CG-CD1 4.35Å; F164-T206 HydrophobicContact CD2-CG2 4.21Å; F164-T206 HydrophobicContact CE2-CG2 3.57Å; F164-T206 HydrophobicContact CZ-CG2 3.89Å; F164-V217 HydrophobicContact CB-CG1 4.09Å; F164-V217 HydrophobicContact CD2-CG1 4.23Å; F164-V217 HydrophobicContact CG-CG1 4.17Å
165N87.1Confident82.7Confident139 Ų13947.7 Ų47.774%0.74328%0.28SS*.THydrogen-bonded Turntrans50.241.7-174.4-64.5-19.2000113.2K167N165-K167 VanDerWaalsContact C-N 3.26Å; N165-K167 PolarHBondContact O-N 3.26Å
166G86.5Confident83.1Confident71 Ų7149.4 Ų49.473%0.73226%0.263SS*.THydrogen-bonded Turntrans74.18.7179.300000115.1F164F164-G166 PolarHBondContact O-N 2.97Å
167K88.9Confident83.1Confident154 Ų15448.8 Ų48.867%0.6727%0.267SS*.EExtended strand (participates in β ladder)trans-115.8146.7177.6-64.7-176.8-179.1-179.20111.1S163 F164 N165 A169S163-K167 CarbonylContact C-O 3.55Å; S163-K167 WeakPolarHBondContact CA-O 3.39Å; F164-K167 PolarHBondContact N-O 2.68Å; F164-K167 PolarHBondContact O-N 3.16Å; N165-K167 VanDerWaalsContact C-N 3.26Å; N165-K167 PolarHBondContact O-N 3.26Å; K167-A169 PolarHBondContact O-N 3.42Å
168P90Very high82.2Confident89 Ų8959.3 Ų59.358%0.57831%0.313SS*.EExtended strand (participates in β ladder)trans-54.8134173.3-2534.4000112.1G162 Y220G162-P168 WeakPolarHBondContact O-CA 3.31Å; P168-Y220 HydrophobicContact CB-CD1 4.26Å; P168-Y220 HydrophobicContact CB-CG 4.39Å
169A91.2Very high80.9Confident0 Ų065 Ų650%034%0.342CS..EExtended strand (participates in β ladder)trans-137.2150.3-179.800000110.7G162 F164 K167 L205 V217 C218G162-A169 PolarHBondContact N-O 2.83Å; G162-A169 PolarHBondContact O-N 3.12Å; F164-A169 HydrophobicContact CB-CB 3.77Å; K167-A169 PolarHBondContact O-N 3.42Å; A169-L205 HydrophobicContact CB-CD1 4.36Å; A169-V217 HydrophobicContact CB-CG1 4.02Å; A169-C218 CarbonylContact C-O 3.6Å; A169-C218 WeakPolarHBondContact CA-O 3.44Å; A169-C218 WeakPolarHBondContact CB-O 3.48Å
170A91.3Very high79.9Confident15 Ų1567 Ų6712%0.12435%0.352CS..EExtended strand (participates in β ladder)trans-97125169.100000108.8V159 Y160 C218V159-A170 HydrophobicContact CG1-CB 4.24Å; Y160-A170 WeakPolarHBondContact O-CA 3.39Å; A170-C218 HydrophobicContact CB-CB 4.44Å; A170-C218 PolarHBondContact N-O 3.38Å; A170-C218 PolarHBondContact O-N 3.22Å
171I88.7Confident78.8Confident0 Ų071.7 Ų71.70%038%0.376CS..EExtended strand (participates in β ladder)trans-111.5105.9-178-58.3160.9000107.6W142 L146 V159 Y160 E215 V217W142-I171 HydrophobicContact CB-CD1 4.05Å; W142-I171 VanDerWaalsContact CD1-CD1 3.48Å; W142-I171 HydrophobicContact CG-CD1 3.83Å; L146-I171 HydrophobicContact CD2-CD1 3.76Å; L146-I171 HydrophobicContact CG-CD1 4.47Å; V159-I171 WeakPolarHBondContact CA-O 3.34Å; Y160-I171 PolarHBondContact N-O 2.68Å; Y160-I171 PolarHBondContact O-N 3.38Å; I171-E215 HydrophobicContact CG2-CB 4.14Å; I171-E215 HydrophobicContact CG2-CG 4.29Å; I171-V217 HydrophobicContact CG1-CG1 4.41Å; I171-V217 HydrophobicContact CG1-CG2 4.48Å
172K87.3Confident77.7Confident20 Ų2072.8 Ų72.89%0.08739%0.39CS..EExtended strand (participates in β ladder)trans-90.6105.7175.6-178.7176.8179.7-174.80108.6V159 L174 E190 E215 V216 D284V159-K172 HydrophobicContact CG2-CB 4.18Å; V159-K172 HydrophobicContact CG2-CG 4.11Å; K172-L174 HydrophobicContact CD-CD2 4.24Å; K172-L174 HydrophobicContact CG-CD2 4.12Å; K172-E190 IonicContact NZ-OE1 2.81Å; K172-E190 PolarHBondContact NZ-OE1 3.23Å; K172-E215 CarbonylContact O-C 3.29Å; K172-E215 WeakPolarHBondContact O-CA 3.23Å; K172-V216 HydrophobicContact CB-CB 4.34Å; K172-V216 PolarHBondContact N-O 3.12Å; K172-V216 PolarHBondContact O-N 3.43Å; K172-D284 IonicContact NZ-OD1 2.73Å; K172-D284 PolarHBondContact NZ-OD1 3.05Å; K172-D284 IonicContact NZ-OD2 3.42Å
173R85.3Confident76.7Confident62 Ų6273.4 Ų73.423%0.23439%0.393CS..EExtended strand (participates in β ladder)trans-86.8116.7172.2-173.6175.2-66.6160.10.5109G157 S158 Y160 E215G157-R173 CarbonylContact C-O 3.56Å; G157-R173 WeakPolarHBondContact CA-O 3.47Å; S158-R173 PolarHBondContact N-O 3.1Å; S158-R173 PolarHBondContact O-N 3.14Å; Y160-R173 HydrophobicContact CE2-CB 4.1Å; R173-E215 HydrophobicContact CB-CG 4.21Å; R173-E215 HydrophobicContact CG-CG 4.16Å; R173-E215 IonicContact CZ-OE1 3.15Å; R173-E215 IonicContact NE-OE1 2.78Å; R173-E215 PolarHBondContact NE-OE1 3.25Å; R173-E215 IonicContact NH2-OE1 2.68Å; R173-E215 PolarHBondContact NH2-OE1 3.07Å
174L78.1Confident75.8Confident3 Ų374.6 Ų74.62%0.01639%0.394CS..EExtended strand (participates in β ladder)trans-75.5128.1178-57.3178.7000109F156 K172 K176 T183 F187 V214 V216F156-L174 HydrophobicContact CB-CD2 4.38Å; F156-L174 WeakPolarHBondContact O-CA 3.49Å; K172-L174 HydrophobicContact CD-CD2 4.24Å; K172-L174 HydrophobicContact CG-CD2 4.12Å; L174-K176 PolarHBondContact O-N 3.07Å; L174-T183 HydrophobicContact CB-CG2 4.01Å; L174-F187 HydrophobicContact CD1-CB 3.8Å; L174-F187 HydrophobicContact CD1-CD2 4.27Å; L174-V214 HydrophobicContact CD1-CB 4.31Å; L174-V214 HydrophobicContact CD1-CG1 4.24Å; L174-V214 PolarHBondContact N-O 2.67Å; L174-V216 HydrophobicContact CD1-CG2 4.46Å
175H70.8Confident75.1Confident87 Ų8775.8 Ų75.840%0.40340%0.4SS..PPolyproline II helixtrans-68133.8177.7-74.5-76.9000109.2F156 G157 S158 S177 T183F156-H175 PolarHBondContact O-N 2.98Å; G157-H175 VanDerWaalsContact C-CD2 3.48Å; G157-H175 WeakPolarHBondContact CA-CD2 3.49Å; S158-H175 PolarHBondContact N-NE2 2.91Å; S158-H175 PolarHBondContact OG-CE1 2.88Å; S158-H175 PolarHBondContact OG-NE2 3.16Å; H175-S177 PolarHBondContact O-N 2.87Å; H175-T183 WeakPolarHBondContact O-CG2 3.49Å; H175-T183 PolarHBondContact O-OG1 3.39Å
176K65.5Low74.3Confident119 Ų11969.4 Ų69.452%0.51737%0.366SS..  trans-62.8109.9162.8-80.2-171.7169.6-161.30108.3L174 E212L174-K176 PolarHBondContact O-N 3.07Å; K176-E212 WeakPolarHBondContact CE-O 3.38Å; K176-E212 VanDerWaalsContact NZ-CD 3.3Å; K176-E212 IonicContact NZ-OE2 2.53Å; K176-E212 PolarHBondContact NZ-OE2 3.38Å
177S60Low73.9Confident52 Ų5266.2 Ų66.236%0.36433%0.332SS..  trans-80.2151.6167.6130.80000108.4H175 N179 T183H175-S177 PolarHBondContact O-N 2.87Å; S177-N179 CarbonylContact O-C 3.59Å; S177-N179 PolarHBondContact O-N 3.13Å; S177-N179 VanDerWaalsContact O-N 3.12Å; S177-N179 WeakPolarHBondContact OG-CA 3.3Å; S177-N179 WeakPolarHBondContact OG-CB 3.47Å; S177-N179 PolarHBondContact OG-N 2.76Å; S177-N179 PolarHBondContact OG-O 3.23Å; S177-T183 PolarHBondContact N-OG1 3.25Å; S177-T183 VanDerWaalsContact N-OG1 3.17Å
178K51.7Low73.4Confident223 Ų22361.4 Ų61.497%0.9732%0.317SS*.SBendtrans-56.6-24.5170.3-68.4-173.5178.1-175.90112
179N53.5Low73.2Confident121 Ų12157.2 Ų57.265%0.64729%0.29SS*.SBendtrans-97.698166.7-83.8-17.3000109.9S177 H181 A182S177-N179 CarbonylContact O-C 3.59Å; S177-N179 PolarHBondContact O-N 3.13Å; S177-N179 VanDerWaalsContact O-N 3.12Å; S177-N179 WeakPolarHBondContact OG-CA 3.3Å; S177-N179 WeakPolarHBondContact OG-CB 3.47Å; S177-N179 PolarHBondContact OG-N 2.76Å; S177-N179 PolarHBondContact OG-O 3.23Å; N179-H181 PolarHBondContact O-N 2.89Å; N179-A182 PolarHBondContact O-N 3Å; N179-A182 VanDerWaalsContact O-N 3.17Å
180D64.4Low72.9Confident72 Ų7257.5 Ų57.539%0.38529%0.291SS..Hα-helixtrans-52.4-30.7178-165.729.6000112.1A182 T183 Q184D180-A182 PolarHBondContact O-N 3.38Å; D180-T183 PolarHBondContact O-N 3.24Å; D180-Q184 WeakPolarHBondContact O-CB 3.3Å; D180-Q184 VanDerWaalsContact O-CG 3.25Å; D180-Q184 WeakPolarHBondContact O-CG 3.28Å; D180-Q184 PolarHBondContact O-N 3.11Å; D180-Q184 PolarHBondContact OD2-NE2 3.35Å
181H65.1Low72.6Confident153 Ų15358.5 Ų58.571%0.70829%0.294SS*.Hα-helixtrans-57.8-39.1178.9-117.1-69.5000115.2N179 H185N179-H181 PolarHBondContact O-N 2.89Å; H181-H185 WeakPolarHBondContact O-CB 3.37Å; H181-H185 PolarHBondContact O-N 2.92Å
182A64.4Low72.6Confident57 Ų5759.8 Ų59.847%0.47130%0.301SS..Hα-helixtrans-73.2-40.8-177.800000111.5N179 D180 H185 S186N179-A182 PolarHBondContact O-N 3Å; N179-A182 VanDerWaalsContact O-N 3.17Å; D180-A182 PolarHBondContact O-N 3.38Å; A182-H185 PolarHBondContact O-N 3.35Å; A182-S186 PolarHBondContact O-N 2.98Å
183T66.3Low72.6Confident18 Ų1859 Ų5911%0.1130%0.299CS..Hα-helixtrans-64.2-44.4174.5-55.60000110.3L174 H175 S177 D180 S186 F187L174-T183 HydrophobicContact CB-CG2 4.01Å; H175-T183 WeakPolarHBondContact O-CG2 3.49Å; H175-T183 PolarHBondContact O-OG1 3.39Å; S177-T183 PolarHBondContact N-OG1 3.25Å; S177-T183 VanDerWaalsContact N-OG1 3.17Å; D180-T183 PolarHBondContact O-N 3.24Å; T183-S186 PolarHBondContact O-N 3.2Å; T183-F187 WeakPolarHBondContact O-CB 3.43Å; T183-F187 PolarHBondContact O-N 3.2Å
184Q69.2Low72.8Confident66 Ų6661.4 Ų61.431%0.30831%0.311SS..Hα-helixtrans-61.3-43.5174.2-71.8179.9600112.3D180 F187 C188D180-Q184 WeakPolarHBondContact O-CB 3.3Å; D180-Q184 VanDerWaalsContact O-CG 3.25Å; D180-Q184 WeakPolarHBondContact O-CG 3.28Å; D180-Q184 PolarHBondContact O-N 3.11Å; D180-Q184 PolarHBondContact OD2-NE2 3.35Å; Q184-F187 PolarHBondContact O-N 3.15Å; Q184-C188 WeakPolarHBondContact O-CB 3.16Å; Q184-C188 PolarHBondContact O-N 3.4Å; Q184-C188 PolarHBondContact O-SG 3.07Å; Q184-C188 VanDerWaalsContact O-SG 3.37Å
185H71.5Confident73.2Confident71 Ų7164.3 Ų64.333%0.32934%0.342SS..Hα-helixtrans-61.9-46177.3-176-78.7000111.4H181 A182 F187 C188 A189H181-H185 WeakPolarHBondContact O-CB 3.37Å; H181-H185 PolarHBondContact O-N 2.92Å; A182-H185 PolarHBondContact O-N 3.35Å; H185-F187 VanDerWaalsContact C-N 3.31Å; H185-F187 PolarHBondContact O-N 2.83Å; H185-C188 PolarHBondContact O-N 3.37Å; H185-A189 WeakPolarHBondContact O-CB 3.3Å; H185-A189 PolarHBondContact O-N 2.86Å
186S71.6Confident74.3Confident4 Ų460.8 Ų60.83%0.02833%0.326CS..Hα-helixtrans-62.7-39.3177.5-168.60000111.7F156 A182 T183 A189 E190 G286F156-S186 WeakPolarHBondContact CD1-OG 3.24Å; A182-S186 PolarHBondContact O-N 2.98Å; T183-S186 PolarHBondContact O-N 3.2Å; S186-A189 WeakPolarHBondContact O-CB 3.46Å; S186-A189 PolarHBondContact O-N 2.9Å; S186-E190 WeakPolarHBondContact O-CG 3.46Å; S186-E190 PolarHBondContact O-N 3.36Å; S186-G286 WeakPolarHBondContact CA-O 3.34Å; S186-G286 PolarHBondContact OG-O 2.97Å
187F77.3Confident75.7Confident5 Ų560.3 Ų60.32%0.02233%0.329CS..Hα-helixtrans-63.8-46.2173.4177.2-115.1000112.9L70 L174 T183 Q184 H185 A189 E190 L191 F207 V214L70-F187 HydrophobicContact CD2-CD1 4.11Å; L70-F187 HydrophobicContact CD2-CE1 3.92Å; L174-F187 HydrophobicContact CD1-CB 3.8Å; L174-F187 HydrophobicContact CD1-CD2 4.27Å; T183-F187 WeakPolarHBondContact O-CB 3.43Å; T183-F187 PolarHBondContact O-N 3.2Å; Q184-F187 PolarHBondContact O-N 3.15Å; H185-F187 VanDerWaalsContact C-N 3.31Å; H185-F187 PolarHBondContact O-N 2.83Å; F187-A189 PolarHBondContact O-N 3.47Å; F187-E190 PolarHBondContact O-N 3.08Å; F187-L191 HydrophobicContact CD1-CD1 3.95Å; F187-L191 HydrophobicContact CE1-CD1 3.53Å; F187-L191 HydrophobicContact CE1-CG 4.29Å; F187-L191 HydrophobicContact CE2-CD1 4.49Å; F187-L191 HydrophobicContact CE2-CG 4.41Å; F187-L191 HydrophobicContact CZ-CD1 3.86Å; F187-L191 HydrophobicContact CZ-CD2 4.38Å; F187-L191 HydrophobicContact CZ-CG 4.18Å; F187-L191 WeakPolarHBondContact O-CG 3.4Å; F187-L191 PolarHBondContact O-N 2.73Å; F187-F207 HydrophobicContact CD2-CD1 4.2Å; F187-F207 HydrophobicContact CE2-CB 3.99Å; F187-F207 AromaticContact CE2-CD1 3.47Å; F187-F207 HydrophobicContact CE2-CD1 3.47Å; F187-F207 VanDerWaalsContact CE2-CD1 3.47Å; F187-F207 HydrophobicContact CE2-CE1 4.13Å; F187-F207 AromaticContact CE2-CG 3.92Å; F187-F207 HydrophobicContact CE2-CG 3.92Å; F187-F207 HydrophobicContact CZ-CB 4.29Å; F187-F207 HydrophobicContact CZ-CD1 4.32Å; F187-F207 HydrophobicContact CZ-CG 4.38Å; F187-V214 HydrophobicContact CB-CG1 4.45Å; F187-V214 HydrophobicContact CD1-CG1 4.46Å; F187-V214 HydrophobicContact CD2-CB 4.48Å; F187-V214 HydrophobicContact CD2-CG1 3.21Å; F187-V214 HydrophobicContact CE2-CG1 3.31Å; F187-V214 HydrophobicContact CG-CG1 3.81Å; F187-V214 HydrophobicContact CZ-CG1 4.03Å
188C79.4Confident77.4Confident52 Ų5259.7 Ų59.735%0.35132%0.32SS..Hα-helixtrans-61.8-34.1174.6-72.30000112.3Q184 H185 L191 N192Q184-C188 WeakPolarHBondContact O-CB 3.16Å; Q184-C188 PolarHBondContact O-N 3.4Å; Q184-C188 PolarHBondContact O-SG 3.07Å; Q184-C188 VanDerWaalsContact O-SG 3.37Å; H185-C188 PolarHBondContact O-N 3.37Å; C188-L191 WeakPolarHBondContact O-CB 3.46Å; C188-L191 PolarHBondContact O-N 2.98Å; C188-N192 PolarHBondContact O-N 3.36Å
189A84.2Confident79.5Confident2 Ų252.9 Ų52.92%0.01730%0.299CS..Hα-helixtrans-64.9-49.4173.200000110.7H185 S186 F187 L191 N192 F285 G286 S288H185-A189 WeakPolarHBondContact O-CB 3.3Å; H185-A189 PolarHBondContact O-N 2.86Å; S186-A189 WeakPolarHBondContact O-CB 3.46Å; S186-A189 PolarHBondContact O-N 2.9Å; F187-A189 PolarHBondContact O-N 3.47Å; A189-L191 PolarHBondContact O-N 3.18Å; A189-N192 VanDerWaalsContact O-CB 3.22Å; A189-N192 WeakPolarHBondContact O-CB 3.46Å; A189-N192 PolarHBondContact O-N 3.09Å; A189-N192 PolarHBondContact O-ND2 3.29Å; A189-F285 CarbonylContact C-O 3.59Å; A189-F285 VanDerWaalsContact C-O 3.22Å; A189-F285 WeakPolarHBondContact CB-O 3.49Å; A189-G286 WeakPolarHBondContact CB-O 3.42Å; A189-S288 VanDerWaalsContact CB-O 3.31Å; A189-S288 WeakPolarHBondContact CB-O 3.49Å; A189-S288 PolarHBondContact O-OG 2.76Å
190E85.4Confident81.6Confident6 Ų647.8 Ų47.83%0.02827%0.272CS..Hα-helixtrans-58.7-35.4176.3-66.5-77.1-165.300112.2K172 S186 F187 N192 A193 I204 F207 V216 F285 G286K172-E190 IonicContact NZ-OE1 2.81Å; K172-E190 PolarHBondContact NZ-OE1 3.23Å; S186-E190 WeakPolarHBondContact O-CG 3.46Å; S186-E190 PolarHBondContact O-N 3.36Å; F187-E190 PolarHBondContact O-N 3.08Å; E190-N192 PolarHBondContact O-N 3.42Å; E190-A193 PolarHBondContact O-N 3.44Å; E190-A193 VanDerWaalsContact O-N 3.11Å; E190-I204 VanDerWaalsContact O-CD1 3.25Å; E190-I204 WeakPolarHBondContact O-CD1 3.38Å; E190-F207 HydrophobicContact CB-CE1 4.14Å; E190-V216 HydrophobicContact CB-CG2 4.18Å; E190-V216 HydrophobicContact CG-CG2 4.12Å; E190-F285 PolarHBondContact N-O 2.98Å; E190-F285 WeakPolarHBondContact OE2-CB 3.43Å; E190-F285 PolarHBondContact OE2-N 3.3Å; E190-F285 VanDerWaalsContact OE2-N 3.17Å; E190-G286 PolarHBondContact OE1-N 3.45Å
191L86.1Confident83.1Confident35 Ų3544.5 Ų44.518%0.18325%0.254CS..Hα-helixtrans-62.1-21.2174.5-76.4169.8000113.7F187 C188 A189 A193 F194 F207F187-L191 HydrophobicContact CD1-CD1 3.95Å; F187-L191 HydrophobicContact CE1-CD1 3.53Å; F187-L191 HydrophobicContact CE1-CG 4.29Å; F187-L191 HydrophobicContact CE2-CD1 4.49Å; F187-L191 HydrophobicContact CE2-CG 4.41Å; F187-L191 HydrophobicContact CZ-CD1 3.86Å; F187-L191 HydrophobicContact CZ-CD2 4.38Å; F187-L191 HydrophobicContact CZ-CG 4.18Å; F187-L191 WeakPolarHBondContact O-CG 3.4Å; F187-L191 PolarHBondContact O-N 2.73Å; C188-L191 WeakPolarHBondContact O-CB 3.46Å; C188-L191 PolarHBondContact O-N 2.98Å; A189-L191 PolarHBondContact O-N 3.18Å; L191-A193 VanDerWaalsContact C-N 3.27Å; L191-A193 PolarHBondContact O-N 3.11Å; L191-F194 WeakPolarHBondContact O-CB 3.47Å; L191-F194 PolarHBondContact O-N 2.51Å; L191-F207 HydrophobicContact CD2-CD1 4.45Å; L191-F207 HydrophobicContact CD2-CD2 3.71Å; L191-F207 HydrophobicContact CD2-CE1 4.11Å; L191-F207 HydrophobicContact CD2-CE2 3.32Å; L191-F207 HydrophobicContact CD2-CG 4.25Å; L191-F207 HydrophobicContact CD2-CZ 3.52Å; L191-F207 HydrophobicContact CG-CE1 4.36Å; L191-F207 HydrophobicContact CG-CE2 4.34Å; L191-F207 HydrophobicContact CG-CZ 4.07Å
192N88.1Confident84.6Confident28 Ų2837.8 Ų37.815%0.1522%0.224CC..Hα-helixtrans-65.1-35.5174.9-67-39.5000111.7C188 A189 E190 F194 I261 S288 K290C188-N192 PolarHBondContact O-N 3.36Å; A189-N192 VanDerWaalsContact O-CB 3.22Å; A189-N192 WeakPolarHBondContact O-CB 3.46Å; A189-N192 PolarHBondContact O-N 3.09Å; A189-N192 PolarHBondContact O-ND2 3.29Å; E190-N192 PolarHBondContact O-N 3.42Å; N192-F194 VanDerWaalsContact C-N 3.29Å; N192-I261 WeakPolarHBondContact O-CD1 3.13Å; N192-S288 PolarHBondContact ND2-O 3.29Å; N192-S288 VanDerWaalsContact ND2-O 3.12Å; N192-K290 HydrophobicContact CB-CG 4.19Å; N192-K290 WeakPolarHBondContact OD1-CD 3.44Å; N192-K290 WeakPolarHBondContact OD1-CG 3.42Å
193A87.5Confident86Confident4 Ų439.5 Ų39.53%0.03322%0.221CC..Hα-helixtrans-80.9-9.8178.100000113.3E190 L191 G195 L196 I204 F285E190-A193 PolarHBondContact O-N 3.44Å; E190-A193 VanDerWaalsContact O-N 3.11Å; L191-A193 VanDerWaalsContact C-N 3.27Å; L191-A193 PolarHBondContact O-N 3.11Å; A193-G195 PolarHBondContact O-N 2.87Å; A193-G195 VanDerWaalsContact O-N 3.16Å; A193-L196 HydrophobicContact CB-CD1 4Å; A193-L196 WeakPolarHBondContact O-CB 3.44Å; A193-L196 PolarHBondContact O-N 3.09Å; A193-I204 HydrophobicContact CB-CD1 3.83Å; A193-F285 HydrophobicContact CB-CB 3.66Å; A193-F285 HydrophobicContact CB-CD1 3.61Å; A193-F285 HydrophobicContact CB-CD2 3.58Å; A193-F285 HydrophobicContact CB-CE1 4.06Å; A193-F285 HydrophobicContact CB-CE2 4.06Å; A193-F285 HydrophobicContact CB-CG 3.34Å; A193-F285 HydrophobicContact CB-CZ 4.27Å
194F88.5Confident87.2Confident111 Ų11139.2 Ų39.249%0.48722%0.219SC..THydrogen-bonded Turntrans-64.1119.3175.5-170.7-112.5000110.7L191 N192 I204 F207L191-F194 WeakPolarHBondContact O-CB 3.47Å; L191-F194 PolarHBondContact O-N 2.51Å; N192-F194 VanDerWaalsContact C-N 3.29Å; F194-I204 HydrophobicContact CD2-CB 4.26Å; F194-I204 HydrophobicContact CD2-CG2 3.91Å; F194-F207 HydrophobicContact CB-CE2 3.72Å; F194-F207 HydrophobicContact CB-CZ 3.98Å; F194-F207 HydrophobicContact CD1-CE2 4.42Å; F194-F207 HydrophobicContact CD2-CD2 4.17Å; F194-F207 AromaticContact CD2-CE2 3.34Å; F194-F207 HydrophobicContact CD2-CE2 3.34Å; F194-F207 HydrophobicContact CD2-CZ 4.13Å; F194-F207 HydrophobicContact CE2-CD2 4.4Å; F194-F207 AromaticContact CE2-CE2 3.99Å; F194-F207 HydrophobicContact CE2-CE2 3.99Å; F194-F207 AromaticContact CG-CE2 3.58Å; F194-F207 HydrophobicContact CG-CE2 3.58Å; F194-F207 HydrophobicContact CG-CZ 4.31Å
195G87.7Confident88.2Confident65 Ų6538.7 Ų38.767%0.6722%0.218SC*.THydrogen-bonded Turntrans98.7-7.9-175.800000114.6A193 N197A193-G195 PolarHBondContact O-N 2.87Å; A193-G195 VanDerWaalsContact O-N 3.16Å; G195-N197 PolarHBondContact O-N 3.27Å
196L92.9Very high89.1Confident12 Ų1237.2 Ų37.26%0.06321%0.214CC..  trans-64.9129.2168.2-66.1-178.5000109.8A193 I201 Y255 N259 I261 F285A193-L196 HydrophobicContact CB-CD1 4Å; A193-L196 WeakPolarHBondContact O-CB 3.44Å; A193-L196 PolarHBondContact O-N 3.09Å; L196-I201 HydrophobicContact CB-CD1 4.49Å; L196-I201 HydrophobicContact CB-CG2 4.48Å; L196-I201 HydrophobicContact CD1-CD1 4.24Å; L196-Y255 HydrophobicContact CB-CE1 4.18Å; L196-Y255 HydrophobicContact CD2-CD1 4.18Å; L196-Y255 HydrophobicContact CD2-CE1 3.64Å; L196-Y255 HydrophobicContact CG-CE1 4.48Å; L196-N259 HydrophobicContact CD2-CB 4.05Å; L196-I261 HydrophobicContact CD1-CD1 4.05Å; L196-I261 HydrophobicContact CD2-CD1 3.83Å; L196-I261 HydrophobicContact CG-CD1 4.14Å; L196-F285 HydrophobicContact CD1-CE1 4.04Å; L196-F285 HydrophobicContact CD1-CZ 4.18Å
197N94.4Very high89.7Confident110 Ų11038.3 Ų38.359%0.58822%0.218SC*.  trans-133.589.4-179.2-17258.7000109.9G195G195-N197 PolarHBondContact O-N 3.27Å
198H96.8Very high89.7Confident38 Ų3839 Ų3918%0.17622%0.223CC..  trans-137.4141-179.3-174-93.8000109.6N200 I201 Y255H198-N200 PolarHBondContact CE1-OD1 3.02Å; H198-N200 PolarHBondContact ND1-N 2.96Å; H198-N200 PolarHBondContact O-N 3.37Å; H198-N200 VanDerWaalsContact O-N 3.15Å; H198-I201 HydrophobicContact CB-CB 4.14Å; H198-I201 HydrophobicContact CB-CD1 3.79Å; H198-I201 HydrophobicContact CB-CG1 3.91Å; H198-I201 PolarHBondContact O-N 3.14Å; H198-I201 VanDerWaalsContact O-N 3.09Å; H198-Y255 HydrophobicContact CB-CD1 3.77Å; H198-Y255 HydrophobicContact CB-CE1 4.01Å; H198-Y255 HydrophobicContact CB-CG 4.15Å; H198-Y255 AromaticContact CD2-CG 3.91Å
199P95.4Very high89.3Confident81 Ų8139 Ų3953%0.52622%0.223SC..THydrogen-bonded Turntrans-57.4-31.3-178.521.7-34.7000113.4K281P199-K281 WeakPolarHBondContact O-CE 3.24Å; P199-K281 VanDerWaalsContact O-CG 3.31Å; P199-K281 WeakPolarHBondContact O-CG 3.3Å; P199-K281 PolarHBondContact O-NZ 3.01Å
200N96.9Very high88.4Confident14 Ų1440.4 Ų40.48%0.07523%0.229CC..THydrogen-bonded Turntrans-100.520.4-179.6-51.8113.4000114.1H198 Q248 A252 C280 K281 L282H198-N200 PolarHBondContact CE1-OD1 3.02Å; H198-N200 PolarHBondContact ND1-N 2.96Å; H198-N200 PolarHBondContact O-N 3.37Å; H198-N200 VanDerWaalsContact O-N 3.15Å; N200-Q248 HydrophobicContact CB-CB 4.32Å; N200-Q248 WeakPolarHBondContact CB-O 3.32Å; N200-Q248 WeakPolarHBondContact ND2-CB 3.18Å; N200-Q248 PolarHBondContact ND2-OE1 3.15Å; N200-A252 HydrophobicContact CB-CB 3.97Å; N200-A252 VanDerWaalsContact O-CB 3.3Å; N200-A252 WeakPolarHBondContact O-CB 3.48Å; N200-C280 WeakPolarHBondContact CA-O 3.49Å; N200-C280 WeakPolarHBondContact CB-O 3.49Å; N200-C280 PolarHBondContact ND2-O 3.23Å; N200-K281 CarbonylContact O-C 3.53Å; N200-K281 WeakPolarHBondContact O-CA 3.4Å; N200-L282 PolarHBondContact O-N 3.01Å
201I97.2Very high87.4Confident3 Ų345.3 Ų45.32%0.01526%0.255CS..BIsolated β-bridgetrans-120.1139.9170-64.1176.7000108.2L196 H198 K203 A252 Y255 C256 K281 L282 F285L196-I201 HydrophobicContact CB-CD1 4.49Å; L196-I201 HydrophobicContact CB-CG2 4.48Å; L196-I201 HydrophobicContact CD1-CD1 4.24Å; H198-I201 HydrophobicContact CB-CB 4.14Å; H198-I201 HydrophobicContact CB-CD1 3.79Å; H198-I201 HydrophobicContact CB-CG1 3.91Å; H198-I201 PolarHBondContact O-N 3.14Å; H198-I201 VanDerWaalsContact O-N 3.09Å; I201-K203 PolarHBondContact O-N 3.34Å; I201-A252 HydrophobicContact CD1-CB 4.42Å; I201-A252 HydrophobicContact CG1-CB 3.78Å; I201-Y255 HydrophobicContact CD1-CD1 3.72Å; I201-Y255 HydrophobicContact CD1-CE1 4.41Å; I201-C256 VanDerWaalsContact CD1-SG 3.56Å; I201-K281 PolarHBondContact O-NZ 3.17Å; I201-L282 CarbonylContact C-O 3.58Å; I201-L282 WeakPolarHBondContact CA-O 3.41Å; I201-F285 HydrophobicContact CG2-CE2 3.8Å; I201-F285 HydrophobicContact CG2-CZ 3.8Å
202V95.3Very high86.6Confident12 Ų1250.9 Ų50.97%0.07328%0.28CS..PPolyproline II helixtrans-68.5118.5172.2177.40000108.5I204 C218 E219 A221 L272 K281 L282V202-I204 PolarHBondContact O-N 3.45Å; V202-C218 HydrophobicContact CG1-CB 3.85Å; V202-E219 HydrophobicContact CG1-CG 4.1Å; V202-A221 HydrophobicContact CG2-CB 4.31Å; V202-L272 HydrophobicContact CG2-CD1 3.79Å; V202-L272 HydrophobicContact CG2-CG 4.31Å; V202-K281 HydrophobicContact CG2-CB 3.75Å; V202-L282 PolarHBondContact N-O 3.22Å
203K93.8Very high85.8Confident92 Ų9250.4 Ų50.440%0.428%0.279SS..PPolyproline II helixtrans-73.3121.3-179.7-171.6169.6-174.7162.50111.2I201 L205 C218 E219I201-K203 PolarHBondContact O-N 3.34Å; K203-L205 HydrophobicContact CD-CD2 4.36Å; K203-L205 HydrophobicContact CG-CD2 4.25Å; K203-L205 PolarHBondContact O-N 3.03Å; K203-C218 CarbonylContact O-C 3.55Å; K203-C218 WeakPolarHBondContact O-CA 3.48Å; K203-E219 HydrophobicContact CB-CB 4.41Å; K203-E219 HydrophobicContact CB-CG 4.05Å; K203-E219 WeakPolarHBondContact CB-OE1 3.33Å; K203-E219 PolarHBondContact N-OE1 3.5Å; K203-E219 PolarHBondContact O-N 3.35Å
204I91.5Very high85.4Confident13 Ų1351.5 Ų51.57%0.06729%0.285CS..EExtended strand (participates in β ladder)trans-74123164.4-57.2179.2000108.2E190 A193 F194 V202 F207 V216E190-I204 VanDerWaalsContact O-CD1 3.25Å; E190-I204 WeakPolarHBondContact O-CD1 3.38Å; A193-I204 HydrophobicContact CB-CD1 3.83Å; F194-I204 HydrophobicContact CD2-CB 4.26Å; F194-I204 HydrophobicContact CD2-CG2 3.91Å; V202-I204 PolarHBondContact O-N 3.45Å; I204-F207 HydrophobicContact CD1-CE1 4.46Å; I204-F207 HydrophobicContact CD1-CZ 4.04Å; I204-F207 HydrophobicContact CG2-CE1 4.04Å; I204-F207 HydrophobicContact CG2-CE2 3.85Å; I204-F207 HydrophobicContact CG2-CZ 3.6Å; I204-V216 HydrophobicContact CD1-CG1 4.34Å; I204-V216 HydrophobicContact CG1-CG1 4.4Å; I204-V216 HydrophobicContact CG2-CG1 3.93Å
205L91.2Very high85.3Confident55 Ų5546.2 Ų46.229%0.28826%0.262SS..EExtended strand (participates in β ladder)trans-89.1-46.8-178.3-57.2177.4000111.1F164 A169 K203 V217F164-L205 HydrophobicContact CB-CD1 4.37Å; F164-L205 HydrophobicContact CD1-CB 4.13Å; F164-L205 HydrophobicContact CD1-CD1 3.8Å; F164-L205 HydrophobicContact CE1-CB 4.06Å; F164-L205 HydrophobicContact CG-CD1 4.35Å; A169-L205 HydrophobicContact CB-CD1 4.36Å; K203-L205 HydrophobicContact CD-CD2 4.36Å; K203-L205 HydrophobicContact CG-CD2 4.25Å; K203-L205 PolarHBondContact O-N 3.03Å; L205-V217 WeakPolarHBondContact CA-O 3.36Å; L205-V217 HydrophobicContact CB-CG1 4.44Å; L205-V217 WeakPolarHBondContact CB-O 3.43Å; L205-V217 HydrophobicContact CD1-CG1 4.4Å; L205-V217 PolarHBondContact N-O 3.08Å
206T89.1Confident85.3Confident40 Ų4043.1 Ų43.125%0.24523%0.23CC..EExtended strand (participates in β ladder)trans-163174.3178.9-168.70000111.2F164 V217F164-T206 HydrophobicContact CD2-CG2 4.21Å; F164-T206 HydrophobicContact CE2-CG2 3.57Å; F164-T206 HydrophobicContact CZ-CG2 3.89Å; T206-V217 HydrophobicContact CG2-CB 3.68Å; T206-V217 HydrophobicContact CG2-CG1 4.3Å; T206-V217 HydrophobicContact CG2-CG2 3.77Å; T206-V217 PolarHBondContact N-O 3.49Å; T206-V217 PolarHBondContact O-N 3.39Å
207F85.3Confident85.2Confident27 Ų2742.6 Ų42.612%0.11823%0.228CC..EExtended strand (participates in β ladder)trans-127.3147.4170.3-57.5-87.6000109.9F187 E190 L191 F194 I204 E215 V216F187-F207 HydrophobicContact CD2-CD1 4.2Å; F187-F207 HydrophobicContact CE2-CB 3.99Å; F187-F207 AromaticContact CE2-CD1 3.47Å; F187-F207 HydrophobicContact CE2-CD1 3.47Å; F187-F207 VanDerWaalsContact CE2-CD1 3.47Å; F187-F207 HydrophobicContact CE2-CE1 4.13Å; F187-F207 AromaticContact CE2-CG 3.92Å; F187-F207 HydrophobicContact CE2-CG 3.92Å; F187-F207 HydrophobicContact CZ-CB 4.29Å; F187-F207 HydrophobicContact CZ-CD1 4.32Å; F187-F207 HydrophobicContact CZ-CG 4.38Å; E190-F207 HydrophobicContact CB-CE1 4.14Å; L191-F207 HydrophobicContact CD2-CD1 4.45Å; L191-F207 HydrophobicContact CD2-CD2 3.71Å; L191-F207 HydrophobicContact CD2-CE1 4.11Å; L191-F207 HydrophobicContact CD2-CE2 3.32Å; L191-F207 HydrophobicContact CD2-CG 4.25Å; L191-F207 HydrophobicContact CD2-CZ 3.52Å; L191-F207 HydrophobicContact CG-CE1 4.36Å; L191-F207 HydrophobicContact CG-CE2 4.34Å; L191-F207 HydrophobicContact CG-CZ 4.07Å; F194-F207 HydrophobicContact CB-CE2 3.72Å; F194-F207 HydrophobicContact CB-CZ 3.98Å; F194-F207 HydrophobicContact CD1-CE2 4.42Å; F194-F207 HydrophobicContact CD2-CD2 4.17Å; F194-F207 AromaticContact CD2-CE2 3.34Å; F194-F207 HydrophobicContact CD2-CE2 3.34Å; F194-F207 HydrophobicContact CD2-CZ 4.13Å; F194-F207 HydrophobicContact CE2-CD2 4.4Å; F194-F207 AromaticContact CE2-CE2 3.99Å; F194-F207 HydrophobicContact CE2-CE2 3.99Å; F194-F207 AromaticContact CG-CE2 3.58Å; F194-F207 HydrophobicContact CG-CE2 3.58Å; F194-F207 HydrophobicContact CG-CZ 4.31Å; I204-F207 HydrophobicContact CD1-CE1 4.46Å; I204-F207 HydrophobicContact CD1-CZ 4.04Å; I204-F207 HydrophobicContact CG2-CE1 4.04Å; I204-F207 HydrophobicContact CG2-CE2 3.85Å; I204-F207 HydrophobicContact CG2-CZ 3.6Å; F207-E215 CarbonylContact C-O 3.48Å; F207-E215 WeakPolarHBondContact CA-O 3.32Å; F207-V216 HydrophobicContact CD1-CB 4.16Å; F207-V216 HydrophobicContact CD1-CG1 3.89Å; F207-V216 HydrophobicContact CD1-CG2 3.86Å; F207-V216 HydrophobicContact CE1-CB 4.24Å; F207-V216 HydrophobicContact CE1-CG1 3.59Å; F207-V216 HydrophobicContact CE1-CG2 3.9Å; F207-V216 HydrophobicContact CZ-CG1 4.48Å
208C77.6Confident85Confident19 Ų1938.3 Ų38.313%0.12821%0.206CC..EExtended strand (participates in β ladder)trans-140.4140.9-177.3-56.50000110.1W142 E215W142-C208 HydrophobicContact CH2-CB 3.95Å; W142-C208 WeakPolarHBondContact CH2-SG 3.41Å; W142-C208 HydrophobicContact CZ2-CB 3.48Å; W142-C208 VanDerWaalsContact CZ2-CB 3.48Å; W142-C208 WeakPolarHBondContact CZ2-SG 3.39Å; C208-E215 HydrophobicContact CB-CB 4.42Å; C208-E215 PolarHBondContact N-O 3.49Å; C208-E215 PolarHBondContact O-N 3.16Å
209C71.4Confident84.8Confident51 Ų5138.8 Ų38.835%0.34521%0.208SC..EExtended strand (participates in β ladder)trans-112121.1168.8-61.90000106.9F73 S213F73-C209 HydrophobicContact CD1-CB 3.51Å; F73-C209 WeakPolarHBondContact CD1-SG 3.42Å; F73-C209 HydrophobicContact CE1-CB 3.68Å; F73-C209 VanDerWaalsContact CE1-SG 3.51Å; F73-C209 HydrophobicContact CG-CB 4.16Å; F73-C209 VanDerWaalsContact CG-SG 3.55Å; F73-C209 HydrophobicContact CZ-CB 4.41Å; C209-S213 CarbonylContact C-O 3.57Å; C209-S213 WeakPolarHBondContact CA-O 3.43Å
210F65.1Low84.6Confident33 Ų3338.2 Ų38.215%0.14520%0.196CC..EExtended strand (participates in β ladder)trans-137.4127.8-178.7175.1-100.5000109.8Y138 E212 S213Y138-F210 WeakPolarHBondContact O-CE2 3.46Å; F210-E212 PolarHBondContact O-N 3.26Å; F210-E212 VanDerWaalsContact O-N 3.15Å; F210-S213 PolarHBondContact N-O 3.24Å; F210-S213 WeakPolarHBondContact O-CA 3.43Å; F210-S213 WeakPolarHBondContact O-CB 3.43Å; F210-S213 PolarHBondContact O-N 3.18Å; F210-S213 PolarHBondContact O-OG 3.01Å
211N63.9Low84.4Confident108 Ų10837.9 Ų37.958%0.57820%0.195SC*.THydrogen-bonded Turntrans42.249.9-176.8-69.9-1.5000112.2S213N211-S213 PolarHBondContact O-N 3.12Å
212E68.8Low83.9Confident152 Ų15238.3 Ų38.371%0.7120%0.201SC*.THydrogen-bonded Turntrans63.24.6179.9-44.3173.6139.400115.2K176 F210K176-E212 WeakPolarHBondContact CE-O 3.38Å; K176-E212 VanDerWaalsContact NZ-CD 3.3Å; K176-E212 IonicContact NZ-OE2 2.53Å; K176-E212 PolarHBondContact NZ-OE2 3.38Å; F210-E212 PolarHBondContact O-N 3.26Å; F210-E212 VanDerWaalsContact O-N 3.15Å
213S72Confident83.4Confident19 Ų1941 Ų4113%0.13322%0.218CC..EExtended strand (participates in β ladder)trans-93.7139.617072.70000110.2C209 F210 N211C209-S213 CarbonylContact C-O 3.57Å; C209-S213 WeakPolarHBondContact CA-O 3.43Å; F210-S213 PolarHBondContact N-O 3.24Å; F210-S213 WeakPolarHBondContact O-CA 3.43Å; F210-S213 WeakPolarHBondContact O-CB 3.43Å; F210-S213 PolarHBondContact O-N 3.18Å; F210-S213 PolarHBondContact O-OG 3.01Å; N211-S213 PolarHBondContact O-N 3.12Å
214V78.5Confident83.2Confident27 Ų2740 Ų4016%0.16422%0.215CC..EExtended strand (participates in β ladder)trans-101.6129177.4-175.70000108.8L174 F187L174-V214 HydrophobicContact CD1-CB 4.31Å; L174-V214 HydrophobicContact CD1-CG1 4.24Å; L174-V214 PolarHBondContact N-O 2.67Å; F187-V214 HydrophobicContact CB-CG1 4.45Å; F187-V214 HydrophobicContact CD1-CG1 4.46Å; F187-V214 HydrophobicContact CD2-CB 4.48Å; F187-V214 HydrophobicContact CD2-CG1 3.21Å; F187-V214 HydrophobicContact CE2-CG1 3.31Å; F187-V214 HydrophobicContact CG-CG1 3.81Å; F187-V214 HydrophobicContact CZ-CG1 4.03Å
215E86Confident83.3Confident0 Ų040 Ų400%022%0.215CC..EExtended strand (participates in β ladder)trans-118.1131.8-179.7-62.8-175.2158.300110.2W142 I171 K172 R173 F207 C208W142-E215 PolarHBondContact NE1-OE2 3.28Å; I171-E215 HydrophobicContact CG2-CB 4.14Å; I171-E215 HydrophobicContact CG2-CG 4.29Å; K172-E215 CarbonylContact O-C 3.29Å; K172-E215 WeakPolarHBondContact O-CA 3.23Å; R173-E215 HydrophobicContact CB-CG 4.21Å; R173-E215 HydrophobicContact CG-CG 4.16Å; R173-E215 IonicContact CZ-OE1 3.15Å; R173-E215 IonicContact NE-OE1 2.78Å; R173-E215 PolarHBondContact NE-OE1 3.25Å; R173-E215 IonicContact NH2-OE1 2.68Å; R173-E215 PolarHBondContact NH2-OE1 3.07Å; F207-E215 CarbonylContact C-O 3.48Å; F207-E215 WeakPolarHBondContact CA-O 3.32Å; C208-E215 HydrophobicContact CB-CB 4.42Å; C208-E215 PolarHBondContact N-O 3.49Å; C208-E215 PolarHBondContact O-N 3.16Å
216V87.9Confident83.5Confident0 Ų037.5 Ų37.50%020%0.202CC..EExtended strand (participates in β ladder)trans-102.4120.5168.9-171.60000107.3K172 L174 E190 I204 F207K172-V216 HydrophobicContact CB-CB 4.34Å; K172-V216 PolarHBondContact N-O 3.12Å; K172-V216 PolarHBondContact O-N 3.43Å; L174-V216 HydrophobicContact CD1-CG2 4.46Å; E190-V216 HydrophobicContact CB-CG2 4.18Å; E190-V216 HydrophobicContact CG-CG2 4.12Å; I204-V216 HydrophobicContact CD1-CG1 4.34Å; I204-V216 HydrophobicContact CG1-CG1 4.4Å; I204-V216 HydrophobicContact CG2-CG1 3.93Å; F207-V216 HydrophobicContact CD1-CB 4.16Å; F207-V216 HydrophobicContact CD1-CG1 3.89Å; F207-V216 HydrophobicContact CD1-CG2 3.86Å; F207-V216 HydrophobicContact CE1-CB 4.24Å; F207-V216 HydrophobicContact CE1-CG1 3.59Å; F207-V216 HydrophobicContact CE1-CG2 3.9Å; F207-V216 HydrophobicContact CZ-CG1 4.48Å
217V90.2Very high83.7Confident1 Ų138.5 Ų38.51%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-101.5118.2178.9-173.70000108.4W142 F164 A169 I171 L205 T206W142-V217 HydrophobicContact CZ2-CG2 4.47Å; F164-V217 HydrophobicContact CB-CG1 4.09Å; F164-V217 HydrophobicContact CD2-CG1 4.23Å; F164-V217 HydrophobicContact CG-CG1 4.17Å; A169-V217 HydrophobicContact CB-CG1 4.02Å; I171-V217 HydrophobicContact CG1-CG1 4.41Å; I171-V217 HydrophobicContact CG1-CG2 4.48Å; L205-V217 WeakPolarHBondContact CA-O 3.36Å; L205-V217 HydrophobicContact CB-CG1 4.44Å; L205-V217 WeakPolarHBondContact CB-O 3.43Å; L205-V217 HydrophobicContact CD1-CG1 4.4Å; L205-V217 PolarHBondContact N-O 3.08Å; T206-V217 HydrophobicContact CG2-CB 3.68Å; T206-V217 HydrophobicContact CG2-CG1 4.3Å; T206-V217 HydrophobicContact CG2-CG2 3.77Å; T206-V217 PolarHBondContact N-O 3.49Å; T206-V217 PolarHBondContact O-N 3.39Å
218C92Very high84.1Confident19 Ų1941 Ų4113%0.12822%0.216CC..EExtended strand (participates in β ladder)trans-117.2161-177.9-64.10000111.3A169 A170 V202 K203A169-C218 CarbonylContact C-O 3.6Å; A169-C218 WeakPolarHBondContact CA-O 3.44Å; A169-C218 WeakPolarHBondContact CB-O 3.48Å; A170-C218 HydrophobicContact CB-CB 4.44Å; A170-C218 PolarHBondContact N-O 3.38Å; A170-C218 PolarHBondContact O-N 3.22Å; V202-C218 HydrophobicContact CG1-CB 3.85Å; K203-C218 CarbonylContact O-C 3.55Å; K203-C218 WeakPolarHBondContact O-CA 3.48Å
219E92.1Very high84.8Confident49 Ų4940.4 Ų40.423%0.22921%0.211CC..EExtended strand (participates in β ladder)trans-58.8144.2164.573.2179.9145.500110.3V202 K203 A221 K281V202-E219 HydrophobicContact CG1-CG 4.1Å; K203-E219 HydrophobicContact CB-CB 4.41Å; K203-E219 HydrophobicContact CB-CG 4.05Å; K203-E219 WeakPolarHBondContact CB-OE1 3.33Å; K203-E219 PolarHBondContact N-OE1 3.5Å; K203-E219 PolarHBondContact O-N 3.35Å; E219-A221 PolarHBondContact O-N 3.19Å; E219-K281 IonicContact OE1-NZ 3.48Å; E219-K281 PolarHBondContact OE1-NZ 3.25Å; E219-K281 IonicContact OE2-NZ 3.53Å
220Y91.6Very high85.8Confident68 Ų6838.2 Ų38.227%0.26720%0.196SC..  trans-82.5108.2171.3-178.4-108000109.9L150 I161 P168 G222 P223L150-Y220 HydrophobicContact CD1-CE2 4.1Å; L150-Y220 HydrophobicContact CD2-CE2 4.37Å; I161-Y220 HydrophobicContact CD1-CE2 3.87Å; I161-Y220 HydrophobicContact CG1-CE2 4.07Å; P168-Y220 HydrophobicContact CB-CD1 4.26Å; P168-Y220 HydrophobicContact CB-CG 4.39Å; Y220-G222 WeakPolarHBondContact CE2-O 3.48Å; Y220-P223 VanDerWaalsContact OH-CA 3.23Å; Y220-P223 WeakPolarHBondContact OH-CA 3.04Å
221A91Very high87.1Confident8 Ų840.6 Ų40.67%0.06620%0.204CC..  trans-92-2.5-17300000114.9V202 E219 L272 C274 K281V202-A221 HydrophobicContact CG2-CB 4.31Å; E219-A221 PolarHBondContact O-N 3.19Å; A221-L272 HydrophobicContact CB-CB 3.78Å; A221-L272 HydrophobicContact CB-CD1 3.74Å; A221-L272 HydrophobicContact CB-CG 4.41Å; A221-C274 WeakPolarHBondContact O-CB 3.28Å; A221-K281 HydrophobicContact CB-CB 4.45Å; A221-K281 HydrophobicContact CB-CD 3.84Å
222G87Confident88.4Confident12 Ų1238.5 Ų38.512%0.12419%0.193CC..  trans139.3167-179.600000112.6Y220Y220-G222 WeakPolarHBondContact CE2-O 3.48Å
223P85.9Confident89.3Confident67 Ų6737.6 Ų37.644%0.43520%0.2SC..SBendtrans-78.9-18.7-175.831.4-35000113.9Y220Y220-P223 VanDerWaalsContact OH-CA 3.23Å; Y220-P223 WeakPolarHBondContact OH-CA 3.04Å
224H89.4Confident90.1Very high72 Ų7242.1 Ų42.133%0.33323%0.232SC..EExtended strand (participates in β ladder)trans-125.7141-170.9-58.1-45.3000111.6L229 V273 E275H224-L229 HydrophobicContact CB-CD2 3.96Å; H224-L229 HydrophobicContact CB-CG 4.07Å; H224-V273 PolarHBondContact O-N 3.3Å; H224-E275 IonicContact CD2-OE1 3.53Å; H224-E275 PolarHBondContact CD2-OE1 3.43Å
225N93.3Very high90.5Very high14 Ų1443 Ų438%0.07524%0.237CC..EExtended strand (participates in β ladder)trans-87.4164.1161.866.951.7000110.8Q227 Q228 L229 S269 V271 L272N225-Q227 VanDerWaalsContact C-N 3.25Å; N225-Q227 PolarHBondContact O-N 3.31Å; N225-Q227 WeakPolarHBondContact OD1-CA 3.5Å; N225-Q227 VanDerWaalsContact OD1-CB 3.3Å; N225-Q227 WeakPolarHBondContact OD1-CB 3.42Å; N225-Q227 PolarHBondContact OD1-N 3.23Å; N225-Q227 VanDerWaalsContact OD1-N 3.14Å; N225-Q228 PolarHBondContact ND2-OE1 3Å; N225-Q228 PolarHBondContact O-N 2.99Å; N225-Q228 WeakPolarHBondContact OD1-CG 3.5Å; N225-Q228 PolarHBondContact OD1-N 3.46Å; N225-L229 PolarHBondContact O-N 3.26Å; N225-S269 WeakPolarHBondContact CB-O 3.17Å; N225-V271 CarbonylContact C-O 3.54Å; N225-V271 WeakPolarHBondContact CA-O 3.35Å; N225-V271 WeakPolarHBondContact CB-O 3.37Å; N225-L272 HydrophobicContact CB-CD2 4.07Å
226L94.8Very high90.4Very high1 Ų148.3 Ų48.31%0.00528%0.275CS..Hα-helixtrans-63.1-33.9-176.9-178.857.6000111.5L229 L230 L237 F245 I249 T268 V271 V273L226-L229 PolarHBondContact O-N 3.02Å; L226-L230 HydrophobicContact CD1-CD1 4.26Å; L226-L230 HydrophobicContact CD1-CG 4.11Å; L226-L230 HydrophobicContact CG-CD1 3.91Å; L226-L230 HydrophobicContact CG-CG 4.25Å; L226-L230 WeakPolarHBondContact O-CB 3.3Å; L226-L230 WeakPolarHBondContact O-CG 3.49Å; L226-L230 PolarHBondContact O-N 3.41Å; L226-L237 HydrophobicContact CD1-CD1 4.02Å; L226-F245 HydrophobicContact CD1-CD2 3.83Å; L226-F245 HydrophobicContact CD1-CE2 4.21Å; L226-I249 HydrophobicContact CD2-CD1 4.2Å; L226-T268 WeakPolarHBondContact CB-O 3.45Å; L226-T268 HydrophobicContact CD2-CG2 4.22Å; L226-T268 HydrophobicContact CG-CG2 4.31Å; L226-T268 PolarHBondContact N-O 3.32Å; L226-V271 HydrophobicContact CB-CB 3.96Å; L226-V271 HydrophobicContact CB-CG1 4.05Å; L226-V271 HydrophobicContact CD2-CB 4.37Å; L226-V271 HydrophobicContact CD2-CG1 4.14Å; L226-V271 PolarHBondContact N-O 3.02Å; L226-V273 HydrophobicContact CB-CG2 4.01Å; L226-V273 HydrophobicContact CD1-CG2 4.26Å
227Q94.6Very high90.4Very high62 Ų6249.1 Ų49.129%0.2928%0.279SS..Hα-helixtrans-60.5-49175.4-168.6175.267.600111.2N225 L229 L230 R231 T268 E339N225-Q227 VanDerWaalsContact C-N 3.25Å; N225-Q227 PolarHBondContact O-N 3.31Å; N225-Q227 WeakPolarHBondContact OD1-CA 3.5Å; N225-Q227 VanDerWaalsContact OD1-CB 3.3Å; N225-Q227 WeakPolarHBondContact OD1-CB 3.42Å; N225-Q227 PolarHBondContact OD1-N 3.23Å; N225-Q227 VanDerWaalsContact OD1-N 3.14Å; Q227-L229 VanDerWaalsContact C-N 3.26Å; Q227-L229 PolarHBondContact O-N 2.86Å; Q227-L230 PolarHBondContact O-N 3.31Å; Q227-L230 VanDerWaalsContact O-N 3.16Å; Q227-R231 HydrophobicContact CG-CG 4.19Å; Q227-R231 WeakPolarHBondContact O-CB 3.37Å; Q227-R231 WeakPolarHBondContact O-CG 3.39Å; Q227-R231 PolarHBondContact O-N 3.1Å; Q227-T268 WeakPolarHBondContact CB-OG1 3.48Å; Q227-T268 PolarHBondContact N-O 3.46Å; Q227-E339 PolarHBondContact NE2-OE1 2.82Å
228Q93Very high90.5Very high79 Ų7951.2 Ų51.237%0.36929%0.293SS..Hα-helixtrans-57.9-40.6178-71.8168.4-40.500111.6N225 R231 N232N225-Q228 PolarHBondContact ND2-OE1 3Å; N225-Q228 PolarHBondContact O-N 2.99Å; N225-Q228 WeakPolarHBondContact OD1-CG 3.5Å; N225-Q228 PolarHBondContact OD1-N 3.46Å; Q228-R231 PolarHBondContact O-N 3.45Å; Q228-N232 WeakPolarHBondContact O-CB 3.34Å; Q228-N232 PolarHBondContact O-N 3.46Å; Q228-N232 VanDerWaalsContact O-N 3.16Å
229L92.3Very high90.5Very high7 Ų752 Ų524%0.03730%0.298CS..Hα-helixtrans-67-42.2176.1-66.1-176.6000112.8H224 N225 L226 Q227 R231 N232 V273 E275H224-L229 HydrophobicContact CB-CD2 3.96Å; H224-L229 HydrophobicContact CB-CG 4.07Å; N225-L229 PolarHBondContact O-N 3.26Å; L226-L229 PolarHBondContact O-N 3.02Å; Q227-L229 VanDerWaalsContact C-N 3.26Å; Q227-L229 PolarHBondContact O-N 2.86Å; L229-R231 VanDerWaalsContact C-N 3.27Å; L229-R231 PolarHBondContact O-N 3.3Å; L229-N232 PolarHBondContact O-N 3.16Å; L229-V273 HydrophobicContact CD1-CB 3.66Å; L229-V273 HydrophobicContact CD1-CG1 3.62Å; L229-V273 HydrophobicContact CD1-CG2 3.83Å; L229-E275 WeakPolarHBondContact CD2-OE1 3.39Å
230L93.1Very high90.5Very high5 Ų555.7 Ų55.73%0.02632%0.315CS..Hα-helixtrans-67.6-28.8178.4-67.6168.6000112.4L226 Q227 L237 T268 E339 Q343L226-L230 HydrophobicContact CD1-CD1 4.26Å; L226-L230 HydrophobicContact CD1-CG 4.11Å; L226-L230 HydrophobicContact CG-CD1 3.91Å; L226-L230 HydrophobicContact CG-CG 4.25Å; L226-L230 WeakPolarHBondContact O-CB 3.3Å; L226-L230 WeakPolarHBondContact O-CG 3.49Å; L226-L230 PolarHBondContact O-N 3.41Å; Q227-L230 PolarHBondContact O-N 3.31Å; Q227-L230 VanDerWaalsContact O-N 3.16Å; L230-L237 HydrophobicContact CD2-CD1 3.83Å; L230-L237 HydrophobicContact CG-CD1 4.5Å; L230-T268 HydrophobicContact CD1-CG2 3.78Å; L230-E339 HydrophobicContact CD1-CG 4.23Å; L230-Q343 HydrophobicContact CB-CG 4.28Å; L230-Q343 HydrophobicContact CD2-CG 3.71Å
231R91.4Very high90.5Very high82 Ų8256.1 Ų56.131%0.30932%0.319SS..Hα-helixtrans-86.9-12.8179.6-61.2-70.1163.4-140.9-19113.5Q227 Q228 L229 P233 E339 Q343 Q344 V345Q227-R231 HydrophobicContact CG-CG 4.19Å; Q227-R231 WeakPolarHBondContact O-CB 3.37Å; Q227-R231 WeakPolarHBondContact O-CG 3.39Å; Q227-R231 PolarHBondContact O-N 3.1Å; Q228-R231 PolarHBondContact O-N 3.45Å; L229-R231 VanDerWaalsContact C-N 3.27Å; L229-R231 PolarHBondContact O-N 3.3Å; R231-P233 VanDerWaalsContact O-CD 3.26Å; R231-P233 WeakPolarHBondContact O-CD 3.42Å; R231-E339 IonicContact CZ-OE1 2.8Å; R231-E339 IonicContact NH2-OE1 2.67Å; R231-E339 PolarHBondContact NH2-OE1 3.42Å; R231-Q343 PolarHBondContact NH1-O 2.89Å; R231-Q344 VanDerWaalsContact CZ-C 3.4Å; R231-Q344 PolarHBondContact NH2-O 3.45Å; R231-V345 VanDerWaalsContact NH1-N 3.18Å
232N90.8Very high90.6Very high64 Ų6456.3 Ų56.334%0.34232%0.318SS..  trans-82.9112.4-175.6-173.9-17.8000110.6Q228 L229 S234 V235Q228-N232 WeakPolarHBondContact O-CB 3.34Å; Q228-N232 PolarHBondContact O-N 3.46Å; Q228-N232 VanDerWaalsContact O-N 3.16Å; L229-N232 PolarHBondContact O-N 3.16Å; N232-S234 PolarHBondContact O-N 2.97Å; N232-S234 VanDerWaalsContact O-N 3.11Å; N232-S234 VanDerWaalsContact OD1-CB 3.3Å; N232-S234 WeakPolarHBondContact OD1-CB 3.44Å; N232-S234 PolarHBondContact OD1-N 3.01Å; N232-V235 HydrophobicContact CB-CB 4.17Å; N232-V235 HydrophobicContact CB-CG2 4.05Å; N232-V235 PolarHBondContact O-N 3.22Å
233P88.1Confident90.9Very high134 Ų13456.1 Ų56.187%0.8731%0.314SS*.THydrogen-bonded Turntrans-63.5-20.9-178.5-19.332.8000113.7R231 V235R231-P233 VanDerWaalsContact O-CD 3.26Å; R231-P233 WeakPolarHBondContact O-CD 3.42Å; P233-V235 VanDerWaalsContact C-N 3.31Å
234S89.2Confident91.4Very high114 Ų11455.7 Ų55.780%0.79731%0.308SS*.THydrogen-bonded Turntrans-81.9-10.1178.1-54.40000112.9N232N232-S234 PolarHBondContact O-N 2.97Å; N232-S234 VanDerWaalsContact O-N 3.11Å; N232-S234 VanDerWaalsContact OD1-CB 3.3Å; N232-S234 WeakPolarHBondContact OD1-CB 3.44Å; N232-S234 PolarHBondContact OD1-N 3.01Å
235V85.9Confident91.6Very high44 Ų4452.7 Ų52.727%0.26729%0.294SS..  trans-111.9120.2-179.3178.30000109.1N232 P233 L237N232-V235 HydrophobicContact CB-CB 4.17Å; N232-V235 HydrophobicContact CB-CG2 4.05Å; N232-V235 PolarHBondContact O-N 3.22Å; P233-V235 VanDerWaalsContact C-N 3.31Å; V235-L237 HydrophobicContact CG1-CD2 4.32Å; V235-L237 HydrophobicContact CG1-CG 4.45Å
236S84.7Confident91.8Very high113 Ų11352 Ų5279%0.7929%0.29SS*.  trans-111109.1171.7-173.70000110
237L88.9Confident91.9Very high17 Ų1754.8 Ų54.89%0.08930%0.302CS..  trans-80.2120172.7-65.6-180000109.6L226 L230 V235 K241 K242 F245L226-L237 HydrophobicContact CD1-CD1 4.02Å; L230-L237 HydrophobicContact CD2-CD1 3.83Å; L230-L237 HydrophobicContact CG-CD1 4.5Å; V235-L237 HydrophobicContact CG1-CD2 4.32Å; V235-L237 HydrophobicContact CG1-CG 4.45Å; L237-K241 HydrophobicContact CD2-CD 4.41Å; L237-K242 HydrophobicContact CB-CG 4.05Å; L237-K242 WeakPolarHBondContact O-CE 3.37Å; L237-F245 HydrophobicContact CD1-CD2 4.41Å; L237-F245 HydrophobicContact CD1-CE2 4.12Å; L237-F245 HydrophobicContact CD2-CE2 4.12Å
238S91.4Very high92.1Very high44 Ų4452.5 Ų52.531%0.30829%0.292SS..  trans-61152.8174.2720000111E240 K241 K242S238-E240 PolarHBondContact O-N 3.43Å; S238-E240 VanDerWaalsContact O-N 3.15Å; S238-K241 PolarHBondContact O-N 3.13Å; S238-K241 WeakPolarHBondContact OG-CG 3.49Å; S238-K241 PolarHBondContact OG-N 3.02Å; S238-K242 PolarHBondContact O-N 3.18Å
239P91.8Very high92.3Very high36 Ų3648.8 Ų48.823%0.23427%0.274CS..Hα-helixtrans-52.8-35.5175.1-29.135.9000113.5K242 Q243 T374 R376 E377P239-K242 PolarHBondContact O-N 3.5Å; P239-Q243 WeakPolarHBondContact O-CB 3.48Å; P239-Q243 PolarHBondContact O-N 3.48Å; P239-T374 HydrophobicContact CG-CG2 3.86Å; P239-R376 HydrophobicContact CB-CB 4.21Å; P239-E377 HydrophobicContact CB-CG 4.22Å
240E91.9Very high92.6Very high126 Ų12648.4 Ų48.459%0.58927%0.272SS*.Hα-helixtrans-64.7-44.9175.6-176.8176.2-166.400112.2S238 Q243 N244S238-E240 PolarHBondContact O-N 3.43Å; S238-E240 VanDerWaalsContact O-N 3.15Å; E240-Q243 PolarHBondContact O-N 3.29Å; E240-N244 WeakPolarHBondContact O-CB 3.47Å; E240-N244 PolarHBondContact O-N 3.28Å
241K92.1Very high92.9Very high78 Ų7849.8 Ų49.834%0.33928%0.282SS..Hα-helixtrans-62.8-44176.1-73.9-176.6-176-149.20111.6L237 S238 Q243 N244 F245 E278L237-K241 HydrophobicContact CD2-CD 4.41Å; S238-K241 PolarHBondContact O-N 3.13Å; S238-K241 WeakPolarHBondContact OG-CG 3.49Å; S238-K241 PolarHBondContact OG-N 3.02Å; K241-Q243 VanDerWaalsContact C-N 3.34Å; K241-Q243 PolarHBondContact O-N 3.18Å; K241-N244 PolarHBondContact O-N 3.33Å; K241-F245 WeakPolarHBondContact O-CG 3.07Å; K241-F245 PolarHBondContact O-N 3.43Å; K241-E278 WeakPolarHBondContact CE-OE1 3.32Å; K241-E278 IonicContact NZ-OE1 3.59Å; K241-E278 PolarHBondContact NZ-OE1 3.32Å
242K93.2Very high93.2Very high11 Ų1145.9 Ų45.95%0.04827%0.267CS..Hα-helixtrans-56.6-48.5175.2-65.8175.2-179.2-177.50111L237 S238 P239 N244 F245 C246 C340 V341 Q343 E377 L380L237-K242 HydrophobicContact CB-CG 4.05Å; L237-K242 WeakPolarHBondContact O-CE 3.37Å; S238-K242 PolarHBondContact O-N 3.18Å; P239-K242 PolarHBondContact O-N 3.5Å; K242-N244 PolarHBondContact O-N 2.94Å; K242-F245 PolarHBondContact O-N 2.9Å; K242-C246 PolarHBondContact O-N 3.35Å; K242-C246 PolarHBondContact O-SG 2.92Å; K242-C340 VanDerWaalsContact CD-O 3.26Å; K242-C340 WeakPolarHBondContact CD-O 3.35Å; K242-C340 WeakPolarHBondContact CE-O 3.49Å; K242-C340 PolarHBondContact NZ-O 3.25Å; K242-V341 PolarHBondContact NZ-O 3.33Å; K242-Q343 VanDerWaalsContact CE-NE2 3.29Å; K242-E377 IonicContact NZ-OE1 3.45Å; K242-E377 PolarHBondContact NZ-OE1 3.17Å; K242-L380 HydrophobicContact CB-CD1 4.5Å
243Q94.1Very high93.6Very high9 Ų942.8 Ų42.84%0.04225%0.251CS..Hα-helixtrans-61.8-43.1177.6-174.4-1797.600111.8P239 E240 K241 C246 K247 L380 L405P239-Q243 WeakPolarHBondContact O-CB 3.48Å; P239-Q243 PolarHBondContact O-N 3.48Å; E240-Q243 PolarHBondContact O-N 3.29Å; K241-Q243 VanDerWaalsContact C-N 3.34Å; K241-Q243 PolarHBondContact O-N 3.18Å; Q243-C246 PolarHBondContact O-N 2.81Å; Q243-K247 WeakPolarHBondContact O-CB 3.34Å; Q243-K247 PolarHBondContact O-N 3.41Å; Q243-L380 HydrophobicContact CB-CD1 4.12Å; Q243-L380 HydrophobicContact CB-CD2 4.46Å; Q243-L380 HydrophobicContact CG-CD2 4.23Å; Q243-L405 PolarHBondContact NE2-O 2.81Å
244N94.4Very high94Very high58 Ų5838.9 Ų38.931%0.3122%0.222SC..Hα-helixtrans-63.9-42.9178.9-171.339.8000111.9E240 K241 K242 K247 Q248E240-N244 WeakPolarHBondContact O-CB 3.47Å; E240-N244 PolarHBondContact O-N 3.28Å; K241-N244 PolarHBondContact O-N 3.33Å; K242-N244 PolarHBondContact O-N 2.94Å; N244-K247 WeakPolarHBondContact O-CB 3.42Å; N244-K247 PolarHBondContact O-N 3.35Å; N244-Q248 PolarHBondContact ND2-NE2 3.41Å; N244-Q248 WeakPolarHBondContact O-CG 3.38Å; N244-Q248 PolarHBondContact O-N 3.31Å
245F95.6Very high94.5Very high8 Ų836.5 Ų36.54%0.03520%0.197CC..Hα-helixtrans-63.2-44.2174.2-67.2-25.8000112.2L226 L237 K241 K242 K247 Q248 I249 V273 C280L226-F245 HydrophobicContact CD1-CD2 3.83Å; L226-F245 HydrophobicContact CD1-CE2 4.21Å; L237-F245 HydrophobicContact CD1-CD2 4.41Å; L237-F245 HydrophobicContact CD1-CE2 4.12Å; L237-F245 HydrophobicContact CD2-CE2 4.12Å; K241-F245 WeakPolarHBondContact O-CG 3.07Å; K241-F245 PolarHBondContact O-N 3.43Å; K242-F245 PolarHBondContact O-N 2.9Å; F245-K247 VanDerWaalsContact C-N 3.28Å; F245-K247 PolarHBondContact O-N 3.45Å; F245-Q248 PolarHBondContact O-N 3.46Å; F245-I249 WeakPolarHBondContact O-CD1 3.48Å; F245-I249 VanDerWaalsContact O-CG1 3.24Å; F245-I249 WeakPolarHBondContact O-CG1 3.43Å; F245-I249 PolarHBondContact O-N 3.49Å; F245-V273 HydrophobicContact CE1-CG1 4.26Å; F245-V273 HydrophobicContact CE2-CG1 4.32Å; F245-V273 HydrophobicContact CZ-CG1 3.72Å; F245-C280 HydrophobicContact CD1-CB 3.89Å; F245-C280 HydrophobicContact CE1-CB 4.34Å; F245-C280 HydrophobicContact CG-CB 4.37Å; F245-C280 PolarHBondContact O-SG 3.3Å
246C97.1Very high95Very high0 Ų034.4 Ų34.40%018%0.184CC..Hα-helixtrans-58.7-42.1175.7-650000111.4K242 Q243 I249 A250 F333 L380K242-C246 PolarHBondContact O-N 3.35Å; K242-C246 PolarHBondContact O-SG 2.92Å; Q243-C246 PolarHBondContact O-N 2.81Å; C246-I249 PolarHBondContact O-N 3.31Å; C246-A250 WeakPolarHBondContact O-CB 3.47Å; C246-A250 PolarHBondContact O-N 2.94Å; C246-F333 HydrophobicContact CB-CZ 4.27Å; C246-F333 WeakPolarHBondContact O-CZ 3.44Å; C246-L380 HydrophobicContact CB-CD2 4.14Å
247K97Very high95.5Very high60 Ų6029.8 Ų29.826%0.26115%0.15SC..Hα-helixtrans-61.6-46.3175.9-178.3-176.7174.6-176.40112.3Q243 N244 F245 I249 A250 C251 L405Q243-K247 WeakPolarHBondContact O-CB 3.34Å; Q243-K247 PolarHBondContact O-N 3.41Å; N244-K247 WeakPolarHBondContact O-CB 3.42Å; N244-K247 PolarHBondContact O-N 3.35Å; F245-K247 VanDerWaalsContact C-N 3.28Å; F245-K247 PolarHBondContact O-N 3.45Å; K247-I249 VanDerWaalsContact C-N 3.33Å; K247-I249 PolarHBondContact O-N 2.91Å; K247-A250 PolarHBondContact O-N 3.41Å; K247-C251 PolarHBondContact O-N 2.92Å; K247-C251 PolarHBondContact O-SG 3.45Å; K247-L405 HydrophobicContact CB-CB 4.34Å; K247-L405 HydrophobicContact CB-CD1 4.19Å; K247-L405 HydrophobicContact CG-CB 4.43Å
248Q97.5Very high95.8Very high13 Ų1333.2 Ų33.26%0.06118%0.175CC..Hα-helixtrans-62.2-40.7178.9-75.3-179.554.600112.3N200 N244 F245 C251 A252 E278 L279 C280N200-Q248 HydrophobicContact CB-CB 4.32Å; N200-Q248 WeakPolarHBondContact CB-O 3.32Å; N200-Q248 WeakPolarHBondContact ND2-CB 3.18Å; N200-Q248 PolarHBondContact ND2-OE1 3.15Å; N244-Q248 PolarHBondContact ND2-NE2 3.41Å; N244-Q248 WeakPolarHBondContact O-CG 3.38Å; N244-Q248 PolarHBondContact O-N 3.31Å; F245-Q248 PolarHBondContact O-N 3.46Å; Q248-C251 PolarHBondContact O-N 3.45Å; Q248-A252 PolarHBondContact O-N 3.14Å; Q248-E278 PolarHBondContact NE2-O 3Å; Q248-L279 VanDerWaalsContact OE1-CA 3.23Å; Q248-C280 WeakPolarHBondContact CB-SG 3.49Å
249I98.2Very high96Very high1 Ų134.8 Ų34.81%0.00518%0.18CC..Hα-helixtrans-67.2-42.8175.9-62.2157.6000110.7L226 F245 C246 K247 C251 A252 L253 V271 F333 L336L226-I249 HydrophobicContact CD2-CD1 4.2Å; F245-I249 WeakPolarHBondContact O-CD1 3.48Å; F245-I249 VanDerWaalsContact O-CG1 3.24Å; F245-I249 WeakPolarHBondContact O-CG1 3.43Å; F245-I249 PolarHBondContact O-N 3.49Å; C246-I249 PolarHBondContact O-N 3.31Å; K247-I249 VanDerWaalsContact C-N 3.33Å; K247-I249 PolarHBondContact O-N 2.91Å; I249-C251 VanDerWaalsContact C-N 3.33Å; I249-C251 PolarHBondContact O-N 3.23Å; I249-A252 WeakPolarHBondContact O-CB 3.42Å; I249-A252 PolarHBondContact O-N 2.9Å; I249-A252 VanDerWaalsContact O-N 3.16Å; I249-L253 HydrophobicContact CG2-CD1 3.85Å; I249-L253 HydrophobicContact CG2-CG 4.48Å; I249-L253 WeakPolarHBondContact O-CG 3.45Å; I249-L253 PolarHBondContact O-N 2.87Å; I249-V271 HydrophobicContact CD1-CB 4.48Å; I249-V271 HydrophobicContact CD1-CG1 3.95Å; I249-V271 HydrophobicContact CD1-CG2 3.82Å; I249-V271 HydrophobicContact CG1-CG1 4.1Å; I249-V271 HydrophobicContact CG1-CG2 4.05Å; I249-F333 HydrophobicContact CB-CE2 3.98Å; I249-F333 HydrophobicContact CG2-CD2 3.86Å; I249-F333 HydrophobicContact CG2-CE2 3.77Å; I249-L336 HydrophobicContact CD1-CD1 4.21Å; I249-L336 HydrophobicContact CD1-CD2 3.78Å; I249-L336 HydrophobicContact CG2-CD1 4.48Å
250A98.5Very high96Very high0 Ų033.9 Ų33.90%018%0.177CC..Hα-helixtrans-59.4-43.6175.800000111.7C246 K247 A252 L253 D254 F333 F398 I401 L405C246-A250 WeakPolarHBondContact O-CB 3.47Å; C246-A250 PolarHBondContact O-N 2.94Å; K247-A250 PolarHBondContact O-N 3.41Å; A250-A252 VanDerWaalsContact C-N 3.35Å; A250-A252 PolarHBondContact O-N 3.49Å; A250-L253 PolarHBondContact O-N 3.18Å; A250-D254 WeakPolarHBondContact O-CB 3.36Å; A250-D254 PolarHBondContact O-N 3.12Å; A250-F333 HydrophobicContact CB-CE1 4.3Å; A250-F333 HydrophobicContact CB-CE2 4.36Å; A250-F333 HydrophobicContact CB-CZ 3.83Å; A250-F398 HydrophobicContact CB-CD1 4.12Å; A250-I401 HydrophobicContact CB-CG2 4.03Å; A250-L405 HydrophobicContact CB-CD1 4Å
251C98.2Very high96.1Very high33 Ų3328 Ų2822%0.22315%0.15CC..Hα-helixtrans-61.7-41.1174.6-67.90000112.3K247 Q248 I249 Y255K247-C251 PolarHBondContact O-N 2.92Å; K247-C251 PolarHBondContact O-SG 3.45Å; Q248-C251 PolarHBondContact O-N 3.45Å; I249-C251 VanDerWaalsContact C-N 3.33Å; I249-C251 PolarHBondContact O-N 3.23Å; C251-Y255 PolarHBondContact O-N 2.86Å
252A98.4Very high96.3Very high0 Ų024.3 Ų24.30%013%0.134CC..Hα-helixtrans-61.2-44.5176.400000111.8N200 I201 Q248 I249 A250 Y255 C256 L282N200-A252 HydrophobicContact CB-CB 3.97Å; N200-A252 VanDerWaalsContact O-CB 3.3Å; N200-A252 WeakPolarHBondContact O-CB 3.48Å; I201-A252 HydrophobicContact CD1-CB 4.42Å; I201-A252 HydrophobicContact CG1-CB 3.78Å; Q248-A252 PolarHBondContact O-N 3.14Å; I249-A252 WeakPolarHBondContact O-CB 3.42Å; I249-A252 PolarHBondContact O-N 2.9Å; I249-A252 VanDerWaalsContact O-N 3.16Å; A250-A252 VanDerWaalsContact C-N 3.35Å; A250-A252 PolarHBondContact O-N 3.49Å; A252-Y255 WeakPolarHBondContact O-CB 3.47Å; A252-Y255 PolarHBondContact O-N 2.8Å; A252-C256 PolarHBondContact O-N 2.98Å; A252-C256 PolarHBondContact O-SG 2.58Å; A252-L282 HydrophobicContact CB-CB 4.24Å
253L98.5Very high96.4Very high0 Ų023.8 Ų23.80%013%0.131CC..Hα-helixtrans-71-37.5-179.5-70.3166.3000112.4I249 A250 Y255 C256 H257 H263 V266 L282 F333 F398I249-L253 HydrophobicContact CG2-CD1 3.85Å; I249-L253 HydrophobicContact CG2-CG 4.48Å; I249-L253 WeakPolarHBondContact O-CG 3.45Å; I249-L253 PolarHBondContact O-N 2.87Å; A250-L253 PolarHBondContact O-N 3.18Å; L253-Y255 VanDerWaalsContact C-N 3.28Å; L253-Y255 PolarHBondContact O-N 2.78Å; L253-C256 WeakPolarHBondContact O-CB 3.42Å; L253-C256 PolarHBondContact O-N 2.69Å; L253-H257 WeakPolarHBondContact O-CB 3.33Å; L253-H257 PolarHBondContact O-CD2 3.43Å; L253-H257 PolarHBondContact O-N 2.76Å; L253-H263 HydrophobicContact CD2-CB 4.02Å; L253-V266 HydrophobicContact CD1-CG1 3.98Å; L253-V266 HydrophobicContact CD1-CG2 4.1Å; L253-V266 HydrophobicContact CD2-CG2 3.71Å; L253-L282 HydrophobicContact CD2-CD2 3.54Å; L253-L282 HydrophobicContact CG-CD2 3.96Å; L253-F333 HydrophobicContact CD1-CB 4.38Å; L253-F333 HydrophobicContact CD1-CD2 4.1Å; L253-F333 HydrophobicContact CD1-CG 4.48Å; L253-F398 HydrophobicContact CB-CD1 3.88Å; L253-F398 HydrophobicContact CB-CD2 3.57Å; L253-F398 HydrophobicContact CB-CE1 3.79Å; L253-F398 HydrophobicContact CB-CE2 3.48Å; L253-F398 VanDerWaalsContact CB-CE2 3.48Å; L253-F398 HydrophobicContact CB-CG 3.8Å; L253-F398 HydrophobicContact CB-CZ 3.61Å; L253-F398 HydrophobicContact CD1-CD1 4.42Å; L253-F398 HydrophobicContact CD1-CE1 3.55Å; L253-F398 HydrophobicContact CD1-CE2 3.99Å; L253-F398 HydrophobicContact CD1-CZ 3.3Å; L253-F398 HydrophobicContact CG-CE1 4.29Å; L253-F398 HydrophobicContact CG-CE2 4.2Å; L253-F398 HydrophobicContact CG-CZ 3.99Å
254D98.1Very high96.5Very high51 Ų5123.9 Ų23.927%0.27313%0.132SC..Hα-helixtrans-57.3-44.6171-162.549.7000110.9A250 H257 S258 F398 N399A250-D254 WeakPolarHBondContact O-CB 3.36Å; A250-D254 PolarHBondContact O-N 3.12Å; D254-H257 PolarHBondContact O-N 2.71Å; D254-S258 WeakPolarHBondContact O-CB 3.33Å; D254-S258 PolarHBondContact O-N 3.01Å; D254-S258 PolarHBondContact O-OG 3.06Å; D254-F398 HydrophobicContact CB-CB 3.66Å; D254-N399 PolarHBondContact OD1-N 2.68Å
255Y98Very high96.5Very high65 Ų6521.3 Ų21.326%0.25512%0.118SC..Hα-helixtrans-63.7-44.5176.4-177.2-99.6000112.2L196 H198 I201 C251 A252 L253 H257 S258 N259L196-Y255 HydrophobicContact CB-CE1 4.18Å; L196-Y255 HydrophobicContact CD2-CD1 4.18Å; L196-Y255 HydrophobicContact CD2-CE1 3.64Å; L196-Y255 HydrophobicContact CG-CE1 4.48Å; H198-Y255 HydrophobicContact CB-CD1 3.77Å; H198-Y255 HydrophobicContact CB-CE1 4.01Å; H198-Y255 HydrophobicContact CB-CG 4.15Å; H198-Y255 AromaticContact CD2-CG 3.91Å; I201-Y255 HydrophobicContact CD1-CD1 3.72Å; I201-Y255 HydrophobicContact CD1-CE1 4.41Å; C251-Y255 PolarHBondContact O-N 2.86Å; A252-Y255 WeakPolarHBondContact O-CB 3.47Å; A252-Y255 PolarHBondContact O-N 2.8Å; L253-Y255 VanDerWaalsContact C-N 3.28Å; L253-Y255 PolarHBondContact O-N 2.78Å; Y255-H257 PolarHBondContact O-N 3.35Å; Y255-S258 PolarHBondContact O-N 3.34Å; Y255-S258 PolarHBondContact O-OG 2.63Å; Y255-N259 PolarHBondContact O-N 3.34Å; Y255-N259 PolarHBondContact O-ND2 2.94Å
256C96.9Very high96.6Very high0 Ų021 Ų210%012%0.117CC..Hα-helixtrans-57-48.4173.6-69.90000112I201 A252 L253 S258 N259 G260 I261I201-C256 VanDerWaalsContact CD1-SG 3.56Å; A252-C256 PolarHBondContact O-N 2.98Å; A252-C256 PolarHBondContact O-SG 2.58Å; L253-C256 WeakPolarHBondContact O-CB 3.42Å; L253-C256 PolarHBondContact O-N 2.69Å; C256-S258 PolarHBondContact O-N 3.47Å; C256-N259 CarbonylContact O-C 3.59Å; C256-N259 WeakPolarHBondContact O-CA 3.5Å; C256-N259 PolarHBondContact O-N 3.22Å; C256-G260 PolarHBondContact O-N 2.8Å; C256-I261 CarbonylContact C-O 3.18Å; C256-I261 VanDerWaalsContact C-O 3.29Å; C256-I261 PolarHBondContact O-N 2.85Å
257H96.3Very high96.6Very high16 Ų1622.4 Ų22.47%0.07412%0.123CC..Hα-helixtrans-63.8-41-178.6-74.4-166.9000111.8L253 D254 Y255 N259 G260 I261 M326 D329 F398L253-H257 WeakPolarHBondContact O-CB 3.33Å; L253-H257 PolarHBondContact O-CD2 3.43Å; L253-H257 PolarHBondContact O-N 2.76Å; D254-H257 PolarHBondContact O-N 2.71Å; Y255-H257 PolarHBondContact O-N 3.35Å; H257-N259 PolarHBondContact O-N 3Å; H257-G260 PolarHBondContact O-N 2.77Å; H257-I261 PolarHBondContact CD2-O 3.33Å; H257-M326 HydrophobicContact CB-CE 3.98Å; H257-M326 HydrophobicContact CB-CG 4.31Å; H257-M326 HydrophobicContact CB-SD 3.86Å; H257-M326 PolarHBondContact CE1-O 2.82Å; H257-M326 WeakPolarHBondContact O-CE 3.26Å; H257-D329 IonicContact CD2-OD2 2.72Å; H257-D329 IonicContact CE1-OD2 2.66Å; H257-D329 IonicContact NE2-OD2 3.54Å; H257-D329 PolarHBondContact NE2-OD2 2.85Å; H257-F398 AromaticContact CE1-CD2 3.43Å; H257-F398 VanDerWaalsContact CE1-CD2 3.43Å; H257-F398 WeakPolarHBondContact CE1-CD2 3.45Å; H257-F398 AromaticContact CE1-CE2 3.38Å; H257-F398 WeakPolarHBondContact CE1-CE2 3.42Å; H257-F398 AromaticContact ND1-CD2 3.48Å; H257-F398 WeakPolarHBondContact ND1-CD2 3.39Å; H257-F398 AromaticContact ND1-CE2 3.94Å; H257-F398 AromaticContact NE2-CE2 3.98Å
258S95.2Very high96.5Very high89 Ų8919.5 Ų19.562%0.62211%0.11SC*.Hα-helixtrans-60.7-26.7174.176.30000113.6D254 Y255 C256 G260D254-S258 WeakPolarHBondContact O-CB 3.33Å; D254-S258 PolarHBondContact O-N 3.01Å; D254-S258 PolarHBondContact O-OG 3.06Å; Y255-S258 PolarHBondContact O-N 3.34Å; Y255-S258 PolarHBondContact O-OG 2.63Å; C256-S258 PolarHBondContact O-N 3.47Å; S258-G260 VanDerWaalsContact C-N 3.34Å
259N94.3Very high96.3Very high77 Ų7720.2 Ų20.241%0.41212%0.117SC..THydrogen-bonded Turntrans-928.9174.3-75-85.6000113.2L196 Y255 C256 H257 I261L196-N259 HydrophobicContact CD2-CB 4.05Å; Y255-N259 PolarHBondContact O-N 3.34Å; Y255-N259 PolarHBondContact O-ND2 2.94Å; C256-N259 CarbonylContact O-C 3.59Å; C256-N259 WeakPolarHBondContact O-CA 3.5Å; C256-N259 PolarHBondContact O-N 3.22Å; H257-N259 PolarHBondContact O-N 3Å; N259-I261 VanDerWaalsContact C-N 3.34Å; N259-I261 HydrophobicContact CB-CD1 4.17Å; N259-I261 PolarHBondContact O-N 3.47Å
260G93.4Very high96.2Very high16 Ų1620.8 Ų20.817%0.16512%0.12CC..THydrogen-bonded Turntrans67.132-179.700000113.3C256 H257 S258 K290 I291C256-G260 PolarHBondContact O-N 2.8Å; H257-G260 PolarHBondContact O-N 2.77Å; S258-G260 VanDerWaalsContact C-N 3.34Å; G260-K290 CarbonylContact O-C 3.56Å; G260-K290 WeakPolarHBondContact O-CA 3.33Å; G260-I291 WeakPolarHBondContact O-CG1 3.48Å; G260-I291 PolarHBondContact O-N 2.8Å
261I93.8Very high96.1Very high4 Ų420.8 Ų20.82%0.02112%0.12CC..EExtended strand (participates in β ladder)trans-117.4123.8-179.8-65.7158.1000109.6N192 L196 C256 H257 N259 M289 K290N192-I261 WeakPolarHBondContact O-CD1 3.13Å; L196-I261 HydrophobicContact CD1-CD1 4.05Å; L196-I261 HydrophobicContact CD2-CD1 3.83Å; L196-I261 HydrophobicContact CG-CD1 4.14Å; C256-I261 CarbonylContact C-O 3.18Å; C256-I261 VanDerWaalsContact C-O 3.29Å; C256-I261 PolarHBondContact O-N 2.85Å; H257-I261 PolarHBondContact CD2-O 3.33Å; N259-I261 VanDerWaalsContact C-N 3.34Å; N259-I261 HydrophobicContact CB-CD1 4.17Å; N259-I261 PolarHBondContact O-N 3.47Å; I261-M289 WeakPolarHBondContact CA-O 3.34Å; I261-K290 HydrophobicContact CG1-CG 3.87Å
262L95.8Very high96Very high0 Ų021.4 Ų21.40%012%0.121CC..EExtended strand (participates in β ladder)trans-92137.1169-54.7-175.2000109.5L264 S288 M289 I291 P324 M326 D329L262-L264 HydrophobicContact CB-CD1 4.4Å; L262-L264 HydrophobicContact CB-CD2 3.93Å; L262-L264 HydrophobicContact CB-CG 3.88Å; L262-L264 HydrophobicContact CD1-CD2 4.25Å; L262-S288 CarbonylContact O-C 3.57Å; L262-S288 WeakPolarHBondContact O-CA 3.48Å; L262-S288 WeakPolarHBondContact O-CB 3.37Å; L262-M289 PolarHBondContact N-O 3.45Å; L262-M289 PolarHBondContact O-N 2.86Å; L262-I291 HydrophobicContact CD1-CG2 3.66Å; L262-I291 HydrophobicContact CD2-CD1 3.79Å; L262-I291 HydrophobicContact CD2-CG1 4.44Å; L262-I291 HydrophobicContact CG-CD1 4.11Å; L262-I291 HydrophobicContact CG-CG1 4.29Å; L262-I291 HydrophobicContact CG-CG2 3.95Å; L262-P324 HydrophobicContact CD1-CB 3.9Å; L262-P324 HydrophobicContact CD1-CG 4.46Å; L262-M326 HydrophobicContact CD2-CB 4.15Å; L262-M326 HydrophobicContact CD2-CG 3.6Å; L262-D329 WeakPolarHBondContact CA-OD2 3.35Å
263H95.9Very high95.8Very high0 Ų021.4 Ų21.40%012%0.121CC..  trans-81.7-44.9179.6-170.4-79.8000112.3L253 D265 V266 G283 D284 F285 D329L253-H263 HydrophobicContact CD2-CB 4.02Å; H263-D265 PolarHBondContact CE1-O 2.94Å; H263-D265 VanDerWaalsContact CE1-O 3.27Å; H263-D265 VanDerWaalsContact ND1-C 3.26Å; H263-D265 PolarHBondContact ND1-N 2.84Å; H263-D265 PolarHBondContact ND1-O 3.42Å; H263-D265 PolarHBondContact O-N 2.86Å; H263-V266 HydrophobicContact CB-CG2 3.8Å; H263-V266 PolarHBondContact ND1-N 3.49Å; H263-G283 PolarHBondContact NE2-O 2.84Å; H263-G283 VanDerWaalsContact NE2-O 3.15Å; H263-D284 PolarHBondContact CE1-O 2.73Å; H263-D284 VanDerWaalsContact CE1-O 3.26Å; H263-D284 PolarHBondContact NE2-O 3.07Å; H263-F285 AromaticContact CD2-CD1 3.76Å; H263-F285 AromaticContact CD2-CE1 3.59Å; H263-F285 AromaticContact CD2-CZ 3.93Å; H263-D329 PolarHBondContact N-OD1 3.31Å; H263-D329 PolarHBondContact N-OD2 3.28Å
264L95.3Very high95.2Very high11 Ų1123 Ų236%0.05813%0.131CC..SBendtrans63.7-4176.4-54.6-179.4000117.2L262 C287 M289 L318 P324 A328 D329L262-L264 HydrophobicContact CB-CD1 4.4Å; L262-L264 HydrophobicContact CB-CD2 3.93Å; L262-L264 HydrophobicContact CB-CG 3.88Å; L262-L264 HydrophobicContact CD1-CD2 4.25Å; L264-C287 HydrophobicContact CB-CB 4.36Å; L264-M289 HydrophobicContact CD1-CB 3.81Å; L264-M289 HydrophobicContact CD1-CE 4.45Å; L264-M289 HydrophobicContact CD1-SD 4.24Å; L264-L318 HydrophobicContact CD2-CD1 4.42Å; L264-P324 HydrophobicContact CD1-CB 4.06Å; L264-P324 HydrophobicContact CD1-CG 4.27Å; L264-P324 HydrophobicContact CD2-CB 3.69Å; L264-A328 HydrophobicContact CD2-CB 4.25Å; L264-D329 WeakPolarHBondContact CA-OD1 3.08Å; L264-D329 PolarHBondContact N-OD1 2.84Å
265D94.8Very high93.9Very high4 Ų425.5 Ų25.52%0.02114%0.141CC..  trans-135.749.9170.1-161.537.6000112H263 K267 N270 C287 G309 T310H263-D265 PolarHBondContact CE1-O 2.94Å; H263-D265 VanDerWaalsContact CE1-O 3.27Å; H263-D265 VanDerWaalsContact ND1-C 3.26Å; H263-D265 PolarHBondContact ND1-N 2.84Å; H263-D265 PolarHBondContact ND1-O 3.42Å; H263-D265 PolarHBondContact O-N 2.86Å; D265-K267 PolarHBondContact O-N 2.95Å; D265-K267 IonicContact OD1-NZ 3.6Å; D265-K267 PolarHBondContact OD1-NZ 3.34Å; D265-K267 WeakPolarHBondContact OD2-CE 3.22Å; D265-K267 IonicContact OD2-NZ 3.55Å; D265-K267 PolarHBondContact OD2-NZ 2.9Å; D265-N270 PolarHBondContact O-ND2 2.96Å; D265-N270 PolarHBondContact OD2-ND2 3.34Å; D265-C287 HydrophobicContact CB-CB 3.9Å; D265-G309 WeakPolarHBondContact OD1-CA 3.17Å; D265-T310 WeakPolarHBondContact OD1-CB 3.16Å; D265-T310 PolarHBondContact OD1-N 3.28Å; D265-T310 PolarHBondContact OD1-OG1 3.33Å
266V97.6Very high92.7Very high0 Ų032.2 Ų32.20%017%0.172CC..  trans-72.8115.5177.2-178.90000109.7L253 H263 D329 L336L253-V266 HydrophobicContact CD1-CG1 3.98Å; L253-V266 HydrophobicContact CD1-CG2 4.1Å; L253-V266 HydrophobicContact CD2-CG2 3.71Å; H263-V266 HydrophobicContact CB-CG2 3.8Å; H263-V266 PolarHBondContact ND1-N 3.49Å; V266-D329 HydrophobicContact CG2-CB 4.21Å; V266-L336 HydrophobicContact CG1-CD1 3.95Å
267K96Very high91.7Very high30 Ų3038.2 Ų38.213%0.1320%0.2CC..  trans-160.4160.9178.557.9-175.9170.5-170.70110.7D265 S269 N270 T310 Y313D265-K267 PolarHBondContact O-N 2.95Å; D265-K267 IonicContact OD1-NZ 3.6Å; D265-K267 PolarHBondContact OD1-NZ 3.34Å; D265-K267 WeakPolarHBondContact OD2-CE 3.22Å; D265-K267 IonicContact OD2-NZ 3.55Å; D265-K267 PolarHBondContact OD2-NZ 2.9Å; K267-S269 VanDerWaalsContact CD-OG 3.24Å; K267-S269 WeakPolarHBondContact CD-OG 3.41Å; K267-S269 WeakPolarHBondContact CE-OG 3.21Å; K267-S269 WeakPolarHBondContact CG-OG 3.14Å; K267-S269 PolarHBondContact O-N 3.47Å; K267-N270 WeakPolarHBondContact CE-ND2 3.26Å; K267-N270 WeakPolarHBondContact CE-OD1 3.33Å; K267-N270 HydrophobicContact CG-CB 4.12Å; K267-N270 PolarHBondContact O-N 3.06Å; K267-T310 WeakPolarHBondContact CD-OG1 3.17Å; K267-T310 WeakPolarHBondContact CE-OG1 3.02Å; K267-T310 PolarHBondContact NZ-OG1 2.94Å; K267-Y313 HydrophobicContact CB-CD1 3.87Å; K267-Y313 HydrophobicContact CB-CD2 3.93Å; K267-Y313 HydrophobicContact CB-CE1 3.66Å; K267-Y313 HydrophobicContact CB-CE2 3.72Å; K267-Y313 HydrophobicContact CB-CG 4.01Å; K267-Y313 HydrophobicContact CD-CE2 4.39Å
268T95.9Very high91.1Very high0 Ų041.6 Ų41.60%022%0.216CC..G310 helixtrans-61.1-29.1-177.954.20000113.5L226 Q227 L230 N270 V271 L336 E339L226-T268 WeakPolarHBondContact CB-O 3.45Å; L226-T268 HydrophobicContact CD2-CG2 4.22Å; L226-T268 HydrophobicContact CG-CG2 4.31Å; L226-T268 PolarHBondContact N-O 3.32Å; Q227-T268 WeakPolarHBondContact CB-OG1 3.48Å; Q227-T268 PolarHBondContact N-O 3.46Å; L230-T268 HydrophobicContact CD1-CG2 3.78Å; T268-N270 PolarHBondContact O-N 3.41Å; T268-V271 PolarHBondContact O-N 3.29Å; T268-L336 HydrophobicContact CG2-CD1 4.44Å; T268-L336 HydrophobicContact CG2-CG 3.84Å; T268-E339 WeakPolarHBondContact CB-OE2 3.36Å; T268-E339 HydrophobicContact CG2-CB 4.14Å; T268-E339 HydrophobicContact CG2-CG 3.95Å; T268-E339 WeakPolarHBondContact CG2-OE2 3.39Å; T268-E339 PolarHBondContact OG1-OE1 3.42Å; T268-E339 PolarHBondContact OG1-OE2 3.13Å
269S94.3Very high91Very high28 Ų2840 Ų4020%0.19620%0.2CC..G310 helixtrans-70-19.9177.172.80000113.4N225 K267N225-S269 WeakPolarHBondContact CB-O 3.17Å; K267-S269 VanDerWaalsContact CD-OG 3.24Å; K267-S269 WeakPolarHBondContact CD-OG 3.41Å; K267-S269 WeakPolarHBondContact CE-OG 3.21Å; K267-S269 WeakPolarHBondContact CG-OG 3.14Å; K267-S269 PolarHBondContact O-N 3.47Å
270N95.8Very high91.1Very high12 Ų1236.4 Ų36.46%0.06418%0.181CC..G310 helixtrans-96.54.5178.5-71.23.3000112.3D265 K267 T268 G283 D284D265-N270 PolarHBondContact O-ND2 2.96Å; D265-N270 PolarHBondContact OD2-ND2 3.34Å; K267-N270 WeakPolarHBondContact CE-ND2 3.26Å; K267-N270 WeakPolarHBondContact CE-OD1 3.33Å; K267-N270 HydrophobicContact CG-CB 4.12Å; K267-N270 PolarHBondContact O-N 3.06Å; T268-N270 PolarHBondContact O-N 3.41Å; N270-G283 PolarHBondContact O-N 3.24Å; N270-D284 HydrophobicContact CB-CB 4.38Å
271V96.7Very high91.3Very high0 Ų037 Ų370%018%0.179CC..EExtended strand (participates in β ladder)trans-104.9111.7175.7177.30000108.7N225 L226 I249 T268 C280 K281 L282 L336N225-V271 CarbonylContact C-O 3.54Å; N225-V271 WeakPolarHBondContact CA-O 3.35Å; N225-V271 WeakPolarHBondContact CB-O 3.37Å; L226-V271 HydrophobicContact CB-CB 3.96Å; L226-V271 HydrophobicContact CB-CG1 4.05Å; L226-V271 HydrophobicContact CD2-CB 4.37Å; L226-V271 HydrophobicContact CD2-CG1 4.14Å; L226-V271 PolarHBondContact N-O 3.02Å; I249-V271 HydrophobicContact CD1-CB 4.48Å; I249-V271 HydrophobicContact CD1-CG1 3.95Å; I249-V271 HydrophobicContact CD1-CG2 3.82Å; I249-V271 HydrophobicContact CG1-CG1 4.1Å; I249-V271 HydrophobicContact CG1-CG2 4.05Å; T268-V271 PolarHBondContact O-N 3.29Å; V271-C280 HydrophobicContact CG1-CB 3.64Å; V271-K281 CarbonylContact C-O 3.59Å; V271-K281 WeakPolarHBondContact CA-O 3.35Å; V271-L282 HydrophobicContact CG2-CD1 4.23Å; V271-L336 HydrophobicContact CG2-CD1 4.11Å
272L95.2Very high91.5Very high46 Ų4636.9 Ų36.924%0.24118%0.178CC..EExtended strand (participates in β ladder)trans-85.1139176.1-58.8-177.4000110.3V202 A221 N225 C280 K281V202-L272 HydrophobicContact CG2-CD1 3.79Å; V202-L272 HydrophobicContact CG2-CG 4.31Å; A221-L272 HydrophobicContact CB-CB 3.78Å; A221-L272 HydrophobicContact CB-CD1 3.74Å; A221-L272 HydrophobicContact CB-CG 4.41Å; N225-L272 HydrophobicContact CB-CD2 4.07Å; L272-C280 CarbonylContact O-C 3.56Å; L272-C280 VanDerWaalsContact O-CA 3.22Å; L272-C280 WeakPolarHBondContact O-CA 3.48Å; L272-K281 PolarHBondContact N-O 2.97Å; L272-K281 PolarHBondContact O-N 2.88Å
273V93.1Very high91.4Very high1 Ų137.1 Ų37.11%0.00618%0.181CC..EExtended strand (participates in β ladder)trans-113122.9-177.9-178.50000110.3H224 L226 L229 F245 E275 C280H224-V273 PolarHBondContact O-N 3.3Å; L226-V273 HydrophobicContact CB-CG2 4.01Å; L226-V273 HydrophobicContact CD1-CG2 4.26Å; L229-V273 HydrophobicContact CD1-CB 3.66Å; L229-V273 HydrophobicContact CD1-CG1 3.62Å; L229-V273 HydrophobicContact CD1-CG2 3.83Å; F245-V273 HydrophobicContact CE1-CG1 4.26Å; F245-V273 HydrophobicContact CE2-CG1 4.32Å; F245-V273 HydrophobicContact CZ-CG1 3.72Å; V273-E275 HydrophobicContact CG1-CG 4.34Å; V273-E275 PolarHBondContact O-N 3.16Å; V273-C280 HydrophobicContact CG2-CB 4.28Å
274C86.3Confident91.2Very high32 Ų3239.1 Ų39.122%0.21619%0.192CC..EExtended strand (participates in β ladder)trans-9387.9169.5-169.10000108.6A221 K276 Q277 E278 L279A221-C274 WeakPolarHBondContact O-CB 3.28Å; C274-K276 VanDerWaalsContact C-N 3.27Å; C274-K276 PolarHBondContact O-N 3.46Å; C274-Q277 PolarHBondContact O-N 2.98Å; C274-E278 PolarHBondContact O-N 3.48Å; C274-E278 VanDerWaalsContact O-N 3.16Å; C274-L279 HydrophobicContact CB-CB 4.4Å; C274-L279 PolarHBondContact N-O 3.49Å; C274-L279 PolarHBondContact O-N 3.39Å
275E70.9Confident91Very high104 Ų10438.8 Ų38.849%0.48619%0.189SC..G310 helixtrans-53.8-41.3-173-68.5-177.617800113.5H224 L229 V273 Q277 E278H224-E275 IonicContact CD2-OE1 3.53Å; H224-E275 PolarHBondContact CD2-OE1 3.43Å; L229-E275 WeakPolarHBondContact CD2-OE1 3.39Å; V273-E275 HydrophobicContact CG1-CG 4.34Å; V273-E275 PolarHBondContact O-N 3.16Å; E275-Q277 PolarHBondContact O-N 3Å; E275-E278 PolarHBondContact O-N 3.22Å
276K72.9Confident90.7Very high207 Ų20738.6 Ų38.690%0.919%0.189SC*.G310 helixtrans-62.3-26-178.1-68.3-174.5179.7-179.90113.6C274C274-K276 VanDerWaalsContact C-N 3.27Å; C274-K276 PolarHBondContact O-N 3.46Å
277Q76Confident90.2Very high126 Ų12638.7 Ų38.759%0.58919%0.189SC*.G310 helixtrans-109.4-3.2-174.3-63.3-178.7-32.200112.4C274 E275 L279C274-Q277 PolarHBondContact O-N 2.98Å; E275-Q277 PolarHBondContact O-N 3Å; Q277-L279 HydrophobicContact CB-CB 4.15Å; Q277-L279 HydrophobicContact CB-CD1 3.78Å; Q277-L279 HydrophobicContact CB-CG 3.86Å; Q277-L279 PolarHBondContact O-N 2.91Å; Q277-L279 VanDerWaalsContact O-N 3.15Å
278E84.9Confident90Very high86 Ų8637.3 Ų37.340%0.40218%0.184SC..THydrogen-bonded Turntrans50.833.4-169.5-53.3-164.1136.400112.6K241 Q248 C274 E275K241-E278 WeakPolarHBondContact CE-OE1 3.32Å; K241-E278 IonicContact NZ-OE1 3.59Å; K241-E278 PolarHBondContact NZ-OE1 3.32Å; Q248-E278 PolarHBondContact NE2-O 3Å; C274-E278 PolarHBondContact O-N 3.48Å; C274-E278 VanDerWaalsContact O-N 3.16Å; E275-E278 PolarHBondContact O-N 3.22Å
279L93Very high89.8Confident56 Ų5638.6 Ų38.629%0.29319%0.19SC..EExtended strand (participates in β ladder)trans-105.9141.4178.9-70.6174000110.1Q248 C274 Q277Q248-L279 VanDerWaalsContact OE1-CA 3.23Å; C274-L279 HydrophobicContact CB-CB 4.4Å; C274-L279 PolarHBondContact N-O 3.49Å; C274-L279 PolarHBondContact O-N 3.39Å; Q277-L279 HydrophobicContact CB-CB 4.15Å; Q277-L279 HydrophobicContact CB-CD1 3.78Å; Q277-L279 HydrophobicContact CB-CG 3.86Å; Q277-L279 PolarHBondContact O-N 2.91Å; Q277-L279 VanDerWaalsContact O-N 3.15Å
280C96Very high89.5Confident1 Ų142.9 Ų42.91%0.00721%0.205CC..EExtended strand (participates in β ladder)trans-118150.3165.670.10000110.9N200 F245 Q248 V271 L272 V273N200-C280 WeakPolarHBondContact CA-O 3.49Å; N200-C280 WeakPolarHBondContact CB-O 3.49Å; N200-C280 PolarHBondContact ND2-O 3.23Å; F245-C280 HydrophobicContact CD1-CB 3.89Å; F245-C280 HydrophobicContact CE1-CB 4.34Å; F245-C280 HydrophobicContact CG-CB 4.37Å; F245-C280 PolarHBondContact O-SG 3.3Å; Q248-C280 WeakPolarHBondContact CB-SG 3.49Å; V271-C280 HydrophobicContact CG1-CB 3.64Å; L272-C280 CarbonylContact O-C 3.56Å; L272-C280 VanDerWaalsContact O-CA 3.22Å; L272-C280 WeakPolarHBondContact O-CA 3.48Å; V273-C280 HydrophobicContact CG2-CB 4.28Å
281K97.2Very high89Confident29 Ų2943.9 Ų43.913%0.12621%0.21CC..EExtended strand (participates in β ladder)trans-130.9126.3-178.5-76.6170169.2-86.90109.9P199 N200 I201 V202 E219 A221 V271 L272P199-K281 WeakPolarHBondContact O-CE 3.24Å; P199-K281 VanDerWaalsContact O-CG 3.31Å; P199-K281 WeakPolarHBondContact O-CG 3.3Å; P199-K281 PolarHBondContact O-NZ 3.01Å; N200-K281 CarbonylContact O-C 3.53Å; N200-K281 WeakPolarHBondContact O-CA 3.4Å; I201-K281 PolarHBondContact O-NZ 3.17Å; V202-K281 HydrophobicContact CG2-CB 3.75Å; E219-K281 IonicContact OE1-NZ 3.48Å; E219-K281 PolarHBondContact OE1-NZ 3.25Å; E219-K281 IonicContact OE2-NZ 3.53Å; A221-K281 HydrophobicContact CB-CB 4.45Å; A221-K281 HydrophobicContact CB-CD 3.84Å; V271-K281 CarbonylContact C-O 3.59Å; V271-K281 WeakPolarHBondContact CA-O 3.35Å; L272-K281 PolarHBondContact N-O 2.97Å; L272-K281 PolarHBondContact O-N 2.88Å
282L97.3Very high87.7Confident1 Ų147.1 Ų47.11%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-73.6127.5171.1-17765.2000109.7N200 I201 V202 A252 L253 V271N200-L282 PolarHBondContact O-N 3.01Å; I201-L282 CarbonylContact C-O 3.58Å; I201-L282 WeakPolarHBondContact CA-O 3.41Å; V202-L282 PolarHBondContact N-O 3.22Å; A252-L282 HydrophobicContact CB-CB 4.24Å; L253-L282 HydrophobicContact CD2-CD2 3.54Å; L253-L282 HydrophobicContact CG-CD2 3.96Å; V271-L282 HydrophobicContact CG2-CD1 4.23Å
283G94.5Very high85.7Confident5 Ų551.4 Ų51.45%0.05227%0.266CS..  trans-132.3-173.2175.900000112H263 N270H263-G283 PolarHBondContact NE2-O 2.84Å; H263-G283 VanDerWaalsContact NE2-O 3.15Å; N270-G283 PolarHBondContact O-N 3.24Å
284D91.1Very high83.6Confident43 Ų4354.6 Ų54.623%0.2329%0.289CS..  trans60.778.8-177.6-159.4-10.7000114.3K172 H263 N270 G286K172-D284 IonicContact NZ-OD1 2.73Å; K172-D284 PolarHBondContact NZ-OD1 3.05Å; K172-D284 IonicContact NZ-OD2 3.42Å; H263-D284 PolarHBondContact CE1-O 2.73Å; H263-D284 VanDerWaalsContact CE1-O 3.26Å; H263-D284 PolarHBondContact NE2-O 3.07Å; N270-D284 HydrophobicContact CB-CB 4.38Å; D284-G286 VanDerWaalsContact C-N 3.25Å; D284-G286 PolarHBondContact O-N 2.97Å; D284-G286 PolarHBondContact OD1-N 3.36Å
285F91.6Very high81.7Confident3 Ų362.1 Ų62.11%0.01332%0.321CS..  trans-92.119.1177.5-71.4-99.5000112.1A189 E190 A193 L196 I201 H263 C287 S288A189-F285 CarbonylContact C-O 3.59Å; A189-F285 VanDerWaalsContact C-O 3.22Å; A189-F285 WeakPolarHBondContact CB-O 3.49Å; E190-F285 PolarHBondContact N-O 2.98Å; E190-F285 WeakPolarHBondContact OE2-CB 3.43Å; E190-F285 PolarHBondContact OE2-N 3.3Å; E190-F285 VanDerWaalsContact OE2-N 3.17Å; A193-F285 HydrophobicContact CB-CB 3.66Å; A193-F285 HydrophobicContact CB-CD1 3.61Å; A193-F285 HydrophobicContact CB-CD2 3.58Å; A193-F285 HydrophobicContact CB-CE1 4.06Å; A193-F285 HydrophobicContact CB-CE2 4.06Å; A193-F285 HydrophobicContact CB-CG 3.34Å; A193-F285 HydrophobicContact CB-CZ 4.27Å; L196-F285 HydrophobicContact CD1-CE1 4.04Å; L196-F285 HydrophobicContact CD1-CZ 4.18Å; I201-F285 HydrophobicContact CG2-CE2 3.8Å; I201-F285 HydrophobicContact CG2-CZ 3.8Å; H263-F285 AromaticContact CD2-CD1 3.76Å; H263-F285 AromaticContact CD2-CE1 3.59Å; H263-F285 AromaticContact CD2-CZ 3.93Å; F285-C287 PolarHBondContact O-N 2.98Å; F285-S288 VanDerWaalsContact O-CB 3.26Å; F285-S288 WeakPolarHBondContact O-CB 3.4Å; F285-S288 PolarHBondContact O-N 3.11Å; F285-S288 PolarHBondContact O-OG 2.7Å
286G87.3Confident80.2Confident1 Ų165.4 Ų65.41%0.0133%0.333CS..THydrogen-bonded Turntrans-63.9-10.1-179.300000115.1S186 A189 E190 D284S186-G286 WeakPolarHBondContact CA-O 3.34Å; S186-G286 PolarHBondContact OG-O 2.97Å; A189-G286 WeakPolarHBondContact CB-O 3.42Å; E190-G286 PolarHBondContact OE1-N 3.45Å; D284-G286 VanDerWaalsContact C-N 3.25Å; D284-G286 PolarHBondContact O-N 2.97Å; D284-G286 PolarHBondContact OD1-N 3.36Å
287C89Confident78.7Confident1 Ų158 Ų581%0.00730%0.301CS..THydrogen-bonded Turntrans-110.2-4.2173-64.10000113.5F156 L264 D265 F285 P308F156-C287 WeakPolarHBondContact CZ-SG 3.31Å; L264-C287 HydrophobicContact CB-CB 4.36Å; D265-C287 HydrophobicContact CB-CB 3.9Å; F285-C287 PolarHBondContact O-N 2.98Å; C287-P308 HydrophobicContact CB-CB 3.71Å; C287-P308 WeakPolarHBondContact SG-CB 3.48Å
288S91.3Very high77Confident2 Ų260.5 Ų60.51%0.01431%0.313CS..  trans-70.7158.1-16877.70000113.4A189 N192 L262 F285A189-S288 VanDerWaalsContact CB-O 3.31Å; A189-S288 WeakPolarHBondContact CB-O 3.49Å; A189-S288 PolarHBondContact O-OG 2.76Å; N192-S288 PolarHBondContact ND2-O 3.29Å; N192-S288 VanDerWaalsContact ND2-O 3.12Å; L262-S288 CarbonylContact O-C 3.57Å; L262-S288 WeakPolarHBondContact O-CA 3.48Å; L262-S288 WeakPolarHBondContact O-CB 3.37Å; F285-S288 VanDerWaalsContact O-CB 3.26Å; F285-S288 WeakPolarHBondContact O-CB 3.4Å; F285-S288 PolarHBondContact O-N 3.11Å; F285-S288 PolarHBondContact O-OG 2.7Å
289M91.2Very high74.8Confident27 Ų2759 Ų5913%0.13331%0.31CS..EExtended strand (participates in β ladder)trans-143.6137.2-172.8-174.1174.1-82.900111.3I261 L262 L264 F297 P324I261-M289 WeakPolarHBondContact CA-O 3.34Å; L262-M289 PolarHBondContact N-O 3.45Å; L262-M289 PolarHBondContact O-N 2.86Å; L264-M289 HydrophobicContact CD1-CB 3.81Å; L264-M289 HydrophobicContact CD1-CE 4.45Å; L264-M289 HydrophobicContact CD1-SD 4.24Å; M289-F297 HydrophobicContact CE-CE2 4.2Å; M289-F297 HydrophobicContact CE-CZ 3.8Å; M289-F297 HydrophobicContact CG-CE2 4.1Å; M289-F297 HydrophobicContact SD-CD2 4.26Å; M289-F297 HydrophobicContact SD-CE2 3.13Å; M289-F297 WeakPolarHBondContact SD-CE2 3.41Å; M289-F297 HydrophobicContact SD-CZ 3.33Å; M289-F297 WeakPolarHBondContact SD-CZ 3.44Å; M289-P324 HydrophobicContact CE-CG 4.36Å; M289-P324 HydrophobicContact SD-CG 3.49Å; M289-P324 WeakPolarHBondContact SD-CG 3.22Å
290K88.2Confident72.3Confident118 Ų11859.2 Ų59.251%0.51332%0.317SS..EExtended strand (participates in β ladder)trans-85.8128170.3-86.2178.1-179.8169.50110.7N192 G260 I261N192-K290 HydrophobicContact CB-CG 4.19Å; N192-K290 WeakPolarHBondContact OD1-CD 3.44Å; N192-K290 WeakPolarHBondContact OD1-CG 3.42Å; G260-K290 CarbonylContact O-C 3.56Å; G260-K290 WeakPolarHBondContact O-CA 3.33Å; I261-K290 HydrophobicContact CG1-CG 3.87Å
291I85.5Confident69.5Low33 Ų3370.1 Ų70.117%0.16936%0.358CS..PPolyproline II helixtrans-102.6133170.549.8170.4000109G260 L262 M326G260-I291 WeakPolarHBondContact O-CG1 3.48Å; G260-I291 PolarHBondContact O-N 2.8Å; L262-I291 HydrophobicContact CD1-CG2 3.66Å; L262-I291 HydrophobicContact CD2-CD1 3.79Å; L262-I291 HydrophobicContact CD2-CG1 4.44Å; L262-I291 HydrophobicContact CG-CD1 4.11Å; L262-I291 HydrophobicContact CG-CG1 4.29Å; L262-I291 HydrophobicContact CG-CG2 3.95Å; I291-M326 HydrophobicContact CD1-CE 3.52Å; I291-M326 HydrophobicContact CD1-CG 3.9Å; I291-M326 HydrophobicContact CD1-SD 4.49Å
292S68.6Low66.6Low68 Ų6875.7 Ų75.748%0.47639%0.389SS..PPolyproline II helixtrans-68.7153170.960.60000109.7S294S292-S294 CarbonylContact O-C 3.41Å; S292-S294 PolarHBondContact O-N 2.91Å; S292-S294 PolarHBondContact OG-O 3.15Å; S292-S294 PolarHBondContact OG-OG 3.04Å
293S53Low63.7Low135 Ų13577.6 Ų77.694%0.94440%0.402SS*.SBendtrans-58.4-11.4-178.649.10000115.4
294S49.2Very low60.8Low68 Ų6881.8 Ų81.848%0.47643%0.429SS..SBendtrans-86.7114.5157.752.30000107.7S292 K296S292-S294 CarbonylContact O-C 3.41Å; S292-S294 PolarHBondContact O-N 2.91Å; S292-S294 PolarHBondContact OG-O 3.15Å; S292-S294 PolarHBondContact OG-OG 3.04Å; S294-K296 CarbonylContact O-C 3.58Å; S294-K296 PolarHBondContact O-N 2.85Å
295E47.4Very low58.4Low191 Ų19184.7 Ų84.789%0.89345%0.453SS*.SBendtrans-51.42.2175.7-63.617315300115.1F297E295-F297 PolarHBondContact O-N 3.05Å
296K38.3Very low56.7Low173 Ų17390 Ų9075%0.75249%0.486SS*.  trans-85105.6171-62.8-173.2-179.9-177.40109.2S294 E298S294-K296 CarbonylContact O-C 3.58Å; S294-K296 PolarHBondContact O-N 2.85Å; K296-E298 PolarHBondContact O-N 3.27Å
297F43Very low55.4Low52 Ų5291.4 Ų91.423%0.22849%0.493CS..  trans-57122.1163.5-159.3-113.5000109M289 E295 P299 P323 P324M289-F297 HydrophobicContact CE-CE2 4.2Å; M289-F297 HydrophobicContact CE-CZ 3.8Å; M289-F297 HydrophobicContact CG-CE2 4.1Å; M289-F297 HydrophobicContact SD-CD2 4.26Å; M289-F297 HydrophobicContact SD-CE2 3.13Å; M289-F297 WeakPolarHBondContact SD-CE2 3.41Å; M289-F297 HydrophobicContact SD-CZ 3.33Å; M289-F297 WeakPolarHBondContact SD-CZ 3.44Å; E295-F297 PolarHBondContact O-N 3.05Å; F297-P299 VanDerWaalsContact C-CD 3.48Å; F297-P299 HydrophobicContact CD1-CB 3.69Å; F297-P299 HydrophobicContact CD1-CG 4.15Å; F297-P299 HydrophobicContact CE1-CB 3.63Å; F297-P299 WeakPolarHBondContact O-CD 3.43Å; F297-P323 HydrophobicContact CB-CB 3.85Å; F297-P323 HydrophobicContact CD1-CB 3.8Å; F297-P323 HydrophobicContact CD1-CG 4.45Å; F297-P323 HydrophobicContact CG-CB 3.99Å; F297-P324 HydrophobicContact CE2-CG 4.26Å; F297-P324 HydrophobicContact CZ-CG 4.33Å
298E40.3Very low54.3Low177 Ų17792.7 Ų92.783%0.82750%0.501SS*.  trans-92.191.6159.2-82-91.813700105.5K296 S300K296-E298 PolarHBondContact O-N 3.27Å; E298-S300 PolarHBondContact O-N 3.38Å
299P38.3Very low53.2Low54 Ų5493.7 Ų93.735%0.35151%0.512SS..  trans-61.7114.3172.824.8-29.4000106.5F297 R301F297-P299 VanDerWaalsContact C-CD 3.48Å; F297-P299 HydrophobicContact CD1-CB 3.69Å; F297-P299 HydrophobicContact CD1-CG 4.15Å; F297-P299 HydrophobicContact CE1-CB 3.63Å; F297-P299 WeakPolarHBondContact O-CD 3.43Å; P299-R301 PolarHBondContact O-N 3.35Å
300S39.7Very low52.9Low62 Ų6294.5 Ų94.543%0.43452%0.519SS..  trans-52.6116.615042.70000105.2E298 D302 C303E298-S300 PolarHBondContact O-N 3.38Å; S300-D302 PolarHBondContact O-N 3.23Å; S300-C303 PolarHBondContact O-N 3.05Å; S300-C303 PolarHBondContact OG-SG 3.24Å
301R37Very low53Low229 Ų22991.6 Ų91.686%0.86451%0.508SS*.G310 helixtrans-53.4-14.4-168.9-73.3-179173.2176.6-2.3113.8P299P299-R301 PolarHBondContact O-N 3.35Å
302D37.2Very low53.4Low146 Ų14691.6 Ų91.678%0.78151%0.508SS*.G310 helixtrans-85.7-7.5177.6-53.7-38.7000114.7S300S300-D302 PolarHBondContact O-N 3.23Å
303C36.2Very low54.7Low41 Ų4188.7 Ų88.728%0.27749%0.487SS..G310 helixtrans-85.2-6.3177.8-73.70000114S300 S305S300-C303 PolarHBondContact O-N 3.05Å; S300-C303 PolarHBondContact OG-SG 3.24Å; C303-S305 PolarHBondContact O-N 3.36Å
304C32.7Very low56.6Low93 Ų9383.7 Ų83.763%0.62845%0.448SS*.G310 helixtrans-79.5-8-174.2-880000115
305S42.1Very low58.9Low105 Ų10580.5 Ų80.573%0.73443%0.425SS*.G310 helixtrans-80-24.3-172.756.80000114.4C303C303-S305 PolarHBondContact O-N 3.36Å
306T54.8Low61.2Low114 Ų11471.4 Ų71.470%0.69938%0.383SS*.  trans-162.3100.3172.2400000109.8P308T306-P308 WeakPolarHBondContact O-CD 3.37Å
307I60.7Low63.8Low30 Ų3063.8 Ų63.815%0.15435%0.35CS..  trans-61125.6169.6-58.4179.8000107.3R314 L318 Q322I307-R314 PolarHBondContact O-NH1 3.3Å; I307-R314 PolarHBondContact O-NH2 2.99Å; I307-L318 HydrophobicContact CD1-CD2 3.7Å; I307-L318 HydrophobicContact CG2-CD2 4.31Å; I307-Q322 WeakPolarHBondContact CD1-O 3.49Å
308P66.2Low66.2Low28 Ų2861.9 Ų61.918%0.18234%0.342CS..  trans-65.2164.4-178.5-19.931.4000113.2C287 T306 R314C287-P308 HydrophobicContact CB-CB 3.71Å; C287-P308 WeakPolarHBondContact SG-CB 3.48Å; T306-P308 WeakPolarHBondContact O-CD 3.37Å; P308-R314 PolarHBondContact O-NH2 3.11Å
309G68.8Low68.7Low24 Ų2455 Ų5525%0.24731%0.311CS..SBendtrans113.7172.2173.100000115.2D265 R314D265-G309 WeakPolarHBondContact OD1-CA 3.17Å; G309-R314 PolarHBondContact O-NH2 3.39Å; G309-R314 VanDerWaalsContact O-NH2 3.12Å
310T84.2Confident71.3Confident43 Ų4357.7 Ų57.726%0.26431%0.314SS..  trans-84.9118.2-172.9-49.20000111.2D265 K267 I312 Y313D265-T310 WeakPolarHBondContact OD1-CB 3.16Å; D265-T310 PolarHBondContact OD1-N 3.28Å; D265-T310 PolarHBondContact OD1-OG1 3.33Å; K267-T310 WeakPolarHBondContact CD-OG1 3.17Å; K267-T310 WeakPolarHBondContact CE-OG1 3.02Å; K267-T310 PolarHBondContact NZ-OG1 2.94Å; T310-I312 VanDerWaalsContact C-N 3.3Å; T310-I312 HydrophobicContact CG2-CG1 4.13Å; T310-I312 PolarHBondContact O-N 3.16Å; T310-I312 VanDerWaalsContact O-N 3.14Å; T310-Y313 HydrophobicContact CG2-CD2 3.83Å; T310-Y313 HydrophobicContact CG2-CE2 4.18Å; T310-Y313 PolarHBondContact O-N 3.14Å
311L89.7Confident73.6Confident57 Ų5757.1 Ų57.130%0.29832%0.318SS..G310 helixtrans-51.4-43.2-170.7-68.7177.3000114.1Y313 R314 L319 P352 V356L311-Y313 PolarHBondContact O-N 3.46Å; L311-R314 WeakPolarHBondContact O-CB 3.24Å; L311-R314 PolarHBondContact O-N 3.43Å; L311-R314 VanDerWaalsContact O-N 3.12Å; L311-L319 HydrophobicContact CD2-CD2 4.21Å; L311-P352 HydrophobicContact CD1-CB 4.22Å; L311-V356 HydrophobicContact CB-CG2 4.2Å; L311-V356 HydrophobicContact CD1-CG2 4.32Å; L311-V356 HydrophobicContact CD2-CG2 4.22Å; L311-V356 HydrophobicContact CG-CG2 4.49Å
312I93.6Very high76.2Confident33 Ų3351.1 Ų51.117%0.16930%0.3CS..G310 helixtrans-69.6-18.1-17567.5173.5000113.9T310 P346 F347 V355T310-I312 VanDerWaalsContact C-N 3.3Å; T310-I312 HydrophobicContact CG2-CG1 4.13Å; T310-I312 PolarHBondContact O-N 3.16Å; T310-I312 VanDerWaalsContact O-N 3.14Å; I312-P346 HydrophobicContact CD1-CB 4.43Å; I312-F347 HydrophobicContact CB-CD2 4.23Å; I312-F347 WeakPolarHBondContact O-CE2 3.36Å; I312-V355 HydrophobicContact CG2-CB 4.46Å; I312-V355 HydrophobicContact CG2-CG1 4.24Å; I312-V355 HydrophobicContact CG2-CG2 4.45Å
313Y95.5Very high78.7Confident7 Ų747.4 Ų47.43%0.02728%0.284CS..G310 helixtrans-95.8-5.8175.8-65.7-96.2000112.3K267 T310 L311 Y331 S332 I335 E339 P346K267-Y313 HydrophobicContact CB-CD1 3.87Å; K267-Y313 HydrophobicContact CB-CD2 3.93Å; K267-Y313 HydrophobicContact CB-CE1 3.66Å; K267-Y313 HydrophobicContact CB-CE2 3.72Å; K267-Y313 HydrophobicContact CB-CG 4.01Å; K267-Y313 HydrophobicContact CD-CE2 4.39Å; T310-Y313 HydrophobicContact CG2-CD2 3.83Å; T310-Y313 HydrophobicContact CG2-CE2 4.18Å; T310-Y313 PolarHBondContact O-N 3.14Å; L311-Y313 PolarHBondContact O-N 3.46Å; Y313-Y331 WeakPolarHBondContact O-CD1 3.22Å; Y313-S332 WeakPolarHBondContact O-CA 3.14Å; Y313-S332 WeakPolarHBondContact O-CB 3.47Å; Y313-S332 PolarHBondContact O-OG 2.91Å; Y313-I335 HydrophobicContact CD1-CB 3.85Å; Y313-I335 HydrophobicContact CD1-CG2 3.52Å; Y313-I335 HydrophobicContact CE1-CB 4.36Å; Y313-I335 HydrophobicContact CE1-CG2 3.71Å; Y313-I335 HydrophobicContact CG-CG2 4.26Å; Y313-E339 PolarHBondContact OH-OE2 3.31Å; Y313-P346 HydrophobicContact CE1-CG 4.39Å
314R94.5Very high81.4Confident31 Ų3145.9 Ų45.912%0.11727%0.273CS..  trans-80.8140.2-170.1-169.9176.3-74.2166.12.5111.6I307 P308 G309 L311 L318 L319 Y331I307-R314 PolarHBondContact O-NH1 3.3Å; I307-R314 PolarHBondContact O-NH2 2.99Å; P308-R314 PolarHBondContact O-NH2 3.11Å; G309-R314 PolarHBondContact O-NH2 3.39Å; G309-R314 VanDerWaalsContact O-NH2 3.12Å; L311-R314 WeakPolarHBondContact O-CB 3.24Å; L311-R314 PolarHBondContact O-N 3.43Å; L311-R314 VanDerWaalsContact O-N 3.12Å; R314-L318 HydrophobicContact CG-CB 3.53Å; R314-L318 HydrophobicContact CG-CD1 4.07Å; R314-L318 HydrophobicContact CG-CG 4.47Å; R314-L319 HydrophobicContact CB-CD2 4.07Å; R314-L319 HydrophobicContact CB-CG 4.1Å; R314-L319 HydrophobicContact CG-CD2 4.07Å; R314-L319 HydrophobicContact CG-CG 3.95Å; R314-Y331 WeakPolarHBondContact O-CE1 2.88Å
315C95.9Very high84.3Confident1 Ų144.1 Ų44.11%0.00726%0.26CS..  trans-69.8155.1176.958.80000113.1E317 L318 L319 Y331C315-E317 VanDerWaalsContact C-N 3.32Å; C315-E317 WeakPolarHBondContact CB-OE1 3.26Å; C315-E317 WeakPolarHBondContact CB-OE2 3.43Å; C315-E317 PolarHBondContact O-N 3.12Å; C315-E317 PolarHBondContact SG-OE1 3.16Å; C315-L318 PolarHBondContact O-N 3.31Å; C315-L318 VanDerWaalsContact SG-CB 3.54Å; C315-L318 WeakPolarHBondContact SG-CG 3.33Å; C315-L319 WeakPolarHBondContact O-CG 3.48Å; C315-L319 PolarHBondContact O-N 3.26Å; C315-L319 VanDerWaalsContact O-N 3.08Å; C315-Y331 HydrophobicContact CB-CD1 3.86Å; C315-Y331 HydrophobicContact CB-CD2 3.91Å; C315-Y331 HydrophobicContact CB-CG 3.51Å
316P96Very high86.9Confident0 Ų042.3 Ų42.30%024%0.241CC..Hα-helixtrans-55.7-40.4-178.2-24.832000114L319 R320 Y331 V359 E390P316-L319 PolarHBondContact O-N 3.11Å; P316-R320 VanDerWaalsContact CB-NH1 3.31Å; P316-R320 VanDerWaalsContact O-CG 3.3Å; P316-R320 WeakPolarHBondContact O-CG 3.49Å; P316-R320 PolarHBondContact O-N 2.87Å; P316-Y331 HydrophobicContact CG-CE2 4.18Å; P316-V359 HydrophobicContact CB-CG1 4.4Å; P316-V359 HydrophobicContact CG-CG1 3.87Å; P316-E390 WeakPolarHBondContact CB-OE1 3.41Å; P316-E390 WeakPolarHBondContact CG-OE2 3.46Å
317E94.6Very high88.9Confident13 Ų1338.4 Ų38.46%0.06121%0.214CC..Hα-helixtrans-67-40.5-179.467.3-80.3-171.600113C315 L319 R320 G321 Q322 R395C315-E317 VanDerWaalsContact C-N 3.32Å; C315-E317 WeakPolarHBondContact CB-OE1 3.26Å; C315-E317 WeakPolarHBondContact CB-OE2 3.43Å; C315-E317 PolarHBondContact O-N 3.12Å; C315-E317 PolarHBondContact SG-OE1 3.16Å; E317-L319 VanDerWaalsContact C-N 3.31Å; E317-L319 PolarHBondContact O-N 3.15Å; E317-R320 WeakPolarHBondContact O-CB 3.3Å; E317-R320 PolarHBondContact O-N 2.76Å; E317-R320 VanDerWaalsContact O-N 3.17Å; E317-G321 PolarHBondContact O-N 2.67Å; E317-Q322 HydrophobicContact CB-CB 4.2Å; E317-Q322 HydrophobicContact CB-CG 4.37Å; E317-Q322 VanDerWaalsContact O-CB 3.28Å; E317-Q322 WeakPolarHBondContact O-CB 3.21Å; E317-Q322 WeakPolarHBondContact O-CG 3.38Å; E317-Q322 PolarHBondContact O-N 3.15Å; E317-R395 IonicContact OE1-CZ 3.88Å; E317-R395 IonicContact OE1-NH1 2.84Å; E317-R395 PolarHBondContact OE1-NH1 3.44Å; E317-R395 IonicContact OE1-NH2 2.8Å; E317-R395 IonicContact OE2-CZ 3.18Å; E317-R395 IonicContact OE2-NH1 2.81Å; E317-R395 PolarHBondContact OE2-NH1 2.9Å; E317-R395 IonicContact OE2-NH2 2.98Å; E317-R395 PolarHBondContact OE2-NH2 2.74Å
318L92.9Very high90.6Very high11 Ų1137 Ų376%0.05821%0.207CC..Hα-helixtrans-67.2-35.7174.2-79.1-172.4000111.5L264 I307 R314 C315 R320 G321 Q322 P324 A328L264-L318 HydrophobicContact CD2-CD1 4.42Å; I307-L318 HydrophobicContact CD1-CD2 3.7Å; I307-L318 HydrophobicContact CG2-CD2 4.31Å; R314-L318 HydrophobicContact CG-CB 3.53Å; R314-L318 HydrophobicContact CG-CD1 4.07Å; R314-L318 HydrophobicContact CG-CG 4.47Å; C315-L318 PolarHBondContact O-N 3.31Å; C315-L318 VanDerWaalsContact SG-CB 3.54Å; C315-L318 WeakPolarHBondContact SG-CG 3.33Å; L318-R320 PolarHBondContact O-N 2.83Å; L318-G321 PolarHBondContact O-N 3.09Å; L318-Q322 VanDerWaalsContact CD2-O 3.3Å; L318-Q322 WeakPolarHBondContact CD2-O 3.43Å; L318-P324 HydrophobicContact CD2-CB 3.86Å; L318-A328 HydrophobicContact CD1-CB 3.52Å; L318-A328 HydrophobicContact CG-CB 4.14Å
319L92.9Very high92.1Very high33 Ų3335.7 Ų35.717%0.17320%0.198CC..Hα-helixtrans-66.7-26.3173.9-70173.4000112.9L311 R314 C315 P316 E317 G321 V356 V359 V360L311-L319 HydrophobicContact CD2-CD2 4.21Å; R314-L319 HydrophobicContact CB-CD2 4.07Å; R314-L319 HydrophobicContact CB-CG 4.1Å; R314-L319 HydrophobicContact CG-CD2 4.07Å; R314-L319 HydrophobicContact CG-CG 3.95Å; C315-L319 WeakPolarHBondContact O-CG 3.48Å; C315-L319 PolarHBondContact O-N 3.26Å; C315-L319 VanDerWaalsContact O-N 3.08Å; P316-L319 PolarHBondContact O-N 3.11Å; E317-L319 VanDerWaalsContact C-N 3.31Å; E317-L319 PolarHBondContact O-N 3.15Å; L319-G321 PolarHBondContact O-N 3.09Å; L319-V356 HydrophobicContact CB-CG1 4.33Å; L319-V356 HydrophobicContact CD1-CG1 4.35Å; L319-V356 HydrophobicContact CD1-CG2 4.37Å; L319-V356 HydrophobicContact CD2-CB 4.29Å; L319-V356 HydrophobicContact CD2-CG1 3.9Å; L319-V356 HydrophobicContact CD2-CG2 3.59Å; L319-V356 HydrophobicContact CG-CG1 4.44Å; L319-V359 HydrophobicContact CD1-CB 4.26Å; L319-V359 HydrophobicContact CD1-CG1 3.94Å; L319-V360 HydrophobicContact CB-CG2 3.49Å; L319-V360 VanDerWaalsContact CB-CG2 3.49Å; L319-V360 HydrophobicContact CD1-CG2 4.03Å; L319-V360 HydrophobicContact CG-CG2 4.42Å
320R92.1Very high93.6Very high110 Ų11034.6 Ų34.642%0.41519%0.187SC..THydrogen-bonded Turntrans-79.9-2.2170.5-67.7170.3-171.41187.5113.3P316 E317 L318 Q322 V360 E390P316-R320 VanDerWaalsContact CB-NH1 3.31Å; P316-R320 VanDerWaalsContact O-CG 3.3Å; P316-R320 WeakPolarHBondContact O-CG 3.49Å; P316-R320 PolarHBondContact O-N 2.87Å; E317-R320 WeakPolarHBondContact O-CB 3.3Å; E317-R320 PolarHBondContact O-N 2.76Å; E317-R320 VanDerWaalsContact O-N 3.17Å; L318-R320 PolarHBondContact O-N 2.83Å; R320-Q322 HydrophobicContact CB-CG 4.46Å; R320-V360 HydrophobicContact CG-CG1 3.78Å; R320-V360 HydrophobicContact CG-CG2 4.42Å; R320-V360 PolarHBondContact NH2-O 2.82Å; R320-E390 IonicContact CZ-OE1 3.32Å; R320-E390 VanDerWaalsContact CZ-OE1 3.32Å; R320-E390 IonicContact NH1-OE1 2.97Å; R320-E390 PolarHBondContact NH1-OE1 2.85Å; R320-E390 IonicContact NH2-OE1 2.7Å; R320-E390 PolarHBondContact NH2-OE1 2.95Å
321G89Confident94.3Very high51 Ų5132.6 Ų32.653%0.52618%0.175SC..THydrogen-bonded Turntrans81.217.4-178.300000114.3E317 L318 L319E317-G321 PolarHBondContact O-N 2.67Å; L318-G321 PolarHBondContact O-N 3.09Å; L319-G321 PolarHBondContact O-N 3.09Å
322Q90.9Very high94.7Very high102 Ų10230.2 Ų30.248%0.47716%0.163SC..PPolyproline II helixtrans-72.7156.4173.4-59.9-174.17.300110.9I307 E317 L318 R320I307-Q322 WeakPolarHBondContact CD1-O 3.49Å; E317-Q322 HydrophobicContact CB-CB 4.2Å; E317-Q322 HydrophobicContact CB-CG 4.37Å; E317-Q322 VanDerWaalsContact O-CB 3.28Å; E317-Q322 WeakPolarHBondContact O-CB 3.21Å; E317-Q322 WeakPolarHBondContact O-CG 3.38Å; E317-Q322 PolarHBondContact O-N 3.15Å; L318-Q322 VanDerWaalsContact CD2-O 3.3Å; L318-Q322 WeakPolarHBondContact CD2-O 3.43Å; R320-Q322 HydrophobicContact CB-CG 4.46Å
323P90.3Very high94.9Very high69 Ų6928.7 Ų28.745%0.44816%0.155SC..PPolyproline II helixtrans-59.1143.9176.1-25.135.4000113F297F297-P323 HydrophobicContact CB-CB 3.85Å; F297-P323 HydrophobicContact CD1-CB 3.8Å; F297-P323 HydrophobicContact CD1-CG 4.45Å; F297-P323 HydrophobicContact CG-CB 3.99Å
324P91.7Very high95Very high8 Ų828.3 Ų28.35%0.05215%0.153CC..PPolyproline II helixtrans-66.2139.7175.425.1-31.3000112.2L262 L264 M289 F297 L318L262-P324 HydrophobicContact CD1-CB 3.9Å; L262-P324 HydrophobicContact CD1-CG 4.46Å; L264-P324 HydrophobicContact CD1-CB 4.06Å; L264-P324 HydrophobicContact CD1-CG 4.27Å; L264-P324 HydrophobicContact CD2-CB 3.69Å; M289-P324 HydrophobicContact CE-CG 4.36Å; M289-P324 HydrophobicContact SD-CG 3.49Å; M289-P324 WeakPolarHBondContact SD-CG 3.22Å; F297-P324 HydrophobicContact CE2-CG 4.26Å; F297-P324 HydrophobicContact CZ-CG 4.33Å; L318-P324 HydrophobicContact CD2-CB 3.86Å
325T94.1Very high95.2Very high57 Ų5726.9 Ų26.935%0.3515%0.148SC..  trans-125.7172.5170.1710000109.9K327 A328T325-K327 PolarHBondContact O-N 3.42Å; T325-K327 VanDerWaalsContact O-N 3.14Å; T325-K327 WeakPolarHBondContact OG1-CB 3.49Å; T325-K327 PolarHBondContact OG1-N 3.31Å; T325-A328 VanDerWaalsContact O-CB 3.32Å; T325-A328 WeakPolarHBondContact O-CB 3.17Å; T325-A328 PolarHBondContact O-N 2.97Å; T325-A328 VanDerWaalsContact O-N 3.07Å
326M96Very high95.3Very high67 Ų6726.8 Ų26.833%0.3315%0.147SC..Hα-helixtrans-54.4-29.7171.3-70.8-178.8-178.900112.6H257 L262 I291 A328 D329 V330H257-M326 HydrophobicContact CB-CE 3.98Å; H257-M326 HydrophobicContact CB-CG 4.31Å; H257-M326 HydrophobicContact CB-SD 3.86Å; H257-M326 PolarHBondContact CE1-O 2.82Å; H257-M326 WeakPolarHBondContact O-CE 3.26Å; L262-M326 HydrophobicContact CD2-CB 4.15Å; L262-M326 HydrophobicContact CD2-CG 3.6Å; I291-M326 HydrophobicContact CD1-CE 3.52Å; I291-M326 HydrophobicContact CD1-CG 3.9Å; I291-M326 HydrophobicContact CD1-SD 4.49Å; M326-A328 PolarHBondContact O-N 3.37Å; M326-D329 PolarHBondContact O-N 2.96Å; M326-V330 PolarHBondContact O-N 3.15Å
327K97.8Very high95.4Very high32 Ų3226.8 Ų26.814%0.13915%0.147CC..Hα-helixtrans-69.2-16.8-179.4-55.2-64-165.41660113.5T325 Y331 A392 R395T325-K327 PolarHBondContact O-N 3.42Å; T325-K327 VanDerWaalsContact O-N 3.14Å; T325-K327 WeakPolarHBondContact OG1-CB 3.49Å; T325-K327 PolarHBondContact OG1-N 3.31Å; K327-Y331 PolarHBondContact O-N 2.92Å; K327-Y331 VanDerWaalsContact O-N 3.16Å; K327-A392 HydrophobicContact CB-CB 3.96Å; K327-A392 WeakPolarHBondContact CD-O 3.34Å; K327-A392 WeakPolarHBondContact CE-O 3.5Å; K327-A392 HydrophobicContact CG-CB 4.31Å; K327-A392 VanDerWaalsContact CG-O 3.26Å; K327-A392 WeakPolarHBondContact CG-O 3.43Å; K327-R395 HydrophobicContact CD-CB 4.31Å; K327-R395 PolarHBondContact NZ-O 2.88Å; K327-R395 PolarHBondContact O-NH1 3.47Å
328A96.9Very high95.5Very high1 Ų126.8 Ų26.81%0.00815%0.147CC..Hα-helixtrans-66.5-46.8173.200000111.4L264 L318 T325 M326 V330 Y331 S332L264-A328 HydrophobicContact CD2-CB 4.25Å; L318-A328 HydrophobicContact CD1-CB 3.52Å; L318-A328 HydrophobicContact CG-CB 4.14Å; T325-A328 VanDerWaalsContact O-CB 3.32Å; T325-A328 WeakPolarHBondContact O-CB 3.17Å; T325-A328 PolarHBondContact O-N 2.97Å; T325-A328 VanDerWaalsContact O-N 3.07Å; M326-A328 PolarHBondContact O-N 3.37Å; A328-V330 VanDerWaalsContact C-N 3.26Å; A328-V330 PolarHBondContact O-N 3.37Å; A328-Y331 PolarHBondContact O-N 3.29Å; A328-S332 PolarHBondContact O-N 3.38Å; A328-S332 VanDerWaalsContact O-N 3.12Å; A328-S332 PolarHBondContact O-OG 3.32Å
329D98Very high95.7Very high0 Ų026.2 Ų26.20%014%0.144CC..Hα-helixtrans-63.8-34.9176.7-71.1-26.1000111.5H257 L262 H263 L264 V266 M326 S332 F333 F398H257-D329 IonicContact CD2-OD2 2.72Å; H257-D329 IonicContact CE1-OD2 2.66Å; H257-D329 IonicContact NE2-OD2 3.54Å; H257-D329 PolarHBondContact NE2-OD2 2.85Å; L262-D329 WeakPolarHBondContact CA-OD2 3.35Å; H263-D329 PolarHBondContact N-OD1 3.31Å; H263-D329 PolarHBondContact N-OD2 3.28Å; L264-D329 WeakPolarHBondContact CA-OD1 3.08Å; L264-D329 PolarHBondContact N-OD1 2.84Å; V266-D329 HydrophobicContact CG2-CB 4.21Å; M326-D329 PolarHBondContact O-N 2.96Å; D329-S332 PolarHBondContact O-N 3.43Å; D329-F333 WeakPolarHBondContact O-CB 3.44Å; D329-F333 PolarHBondContact O-N 3.43Å; D329-F398 HydrophobicContact CB-CE2 3.95Å; D329-F398 HydrophobicContact CB-CZ 4.33Å
330V98.7Very high95.8Very high1 Ų124.7 Ų24.71%0.00614%0.136CC..Hα-helixtrans-61.9-46176.1176.80000111M326 A328 S332 F333 G334 C387 R395 P396 F398 I401M326-V330 PolarHBondContact O-N 3.15Å; A328-V330 VanDerWaalsContact C-N 3.26Å; A328-V330 PolarHBondContact O-N 3.37Å; V330-S332 PolarHBondContact O-N 2.81Å; V330-F333 WeakPolarHBondContact O-CB 3.5Å; V330-F333 PolarHBondContact O-N 3.29Å; V330-G334 PolarHBondContact O-N 2.72Å; V330-C387 HydrophobicContact CG1-CB 3.93Å; V330-C387 WeakPolarHBondContact O-CB 3.36Å; V330-R395 HydrophobicContact CG1-CB 3.88Å; V330-P396 WeakPolarHBondContact CG1-O 3.44Å; V330-P396 WeakPolarHBondContact CG2-O 3.43Å; V330-F398 HydrophobicContact CG2-CD2 4.12Å; V330-F398 HydrophobicContact CG2-CE2 3.72Å; V330-F398 HydrophobicContact CG2-CZ 4.04Å; V330-I401 HydrophobicContact CG1-CD1 4.03Å
331Y98.5Very high95.9Very high1 Ų119.9 Ų19.90%0.00412%0.119CC..Hα-helixtrans-59.4-49.5175.9-177.1-79.7000111.5Y313 R314 C315 P316 K327 A328 F333 G334 I335 C387 W388Y313-Y331 WeakPolarHBondContact O-CD1 3.22Å; R314-Y331 WeakPolarHBondContact O-CE1 2.88Å; C315-Y331 HydrophobicContact CB-CD1 3.86Å; C315-Y331 HydrophobicContact CB-CD2 3.91Å; C315-Y331 HydrophobicContact CB-CG 3.51Å; P316-Y331 HydrophobicContact CG-CE2 4.18Å; K327-Y331 PolarHBondContact O-N 2.92Å; K327-Y331 VanDerWaalsContact O-N 3.16Å; A328-Y331 PolarHBondContact O-N 3.29Å; Y331-F333 PolarHBondContact O-N 2.66Å; Y331-G334 WeakPolarHBondContact O-CA 3.49Å; Y331-G334 PolarHBondContact O-N 3.38Å; Y331-I335 HydrophobicContact CD1-CG1 4.15Å; Y331-I335 HydrophobicContact CE1-CD1 4.02Å; Y331-I335 HydrophobicContact CE1-CG1 3.8Å; Y331-I335 PolarHBondContact O-N 2.86Å; Y331-C387 VanDerWaalsContact CA-O 3.3Å; Y331-C387 WeakPolarHBondContact CA-O 3.46Å; Y331-W388 HydrophobicContact CD2-CB 3.73Å; Y331-W388 HydrophobicContact CE2-CB 3.63Å; Y331-W388 HydrophobicContact CG-CB 4.37Å
332S98.2Very high96.2Very high7 Ų719.1 Ų19.15%0.04910%0.1CC..Hα-helixtrans-60.9-35178.9-59.30000112Y313 A328 D329 V330 I335 L336Y313-S332 WeakPolarHBondContact O-CA 3.14Å; Y313-S332 WeakPolarHBondContact O-CB 3.47Å; Y313-S332 PolarHBondContact O-OG 2.91Å; A328-S332 PolarHBondContact O-N 3.38Å; A328-S332 VanDerWaalsContact O-N 3.12Å; A328-S332 PolarHBondContact O-OG 3.32Å; D329-S332 PolarHBondContact O-N 3.43Å; V330-S332 PolarHBondContact O-N 2.81Å; S332-I335 PolarHBondContact O-N 3.21Å; S332-L336 PolarHBondContact O-N 3.27Å
333F98.7Very high96.3Very high0 Ų017.2 Ų17.20%09%0.091CC..Hα-helixtrans-64.5-38.4172.3-179-108000112.7C246 I249 A250 L253 D329 V330 Y331 I335 L336 I337 F398 I401 L405C246-F333 HydrophobicContact CB-CZ 4.27Å; C246-F333 WeakPolarHBondContact O-CZ 3.44Å; I249-F333 HydrophobicContact CB-CE2 3.98Å; I249-F333 HydrophobicContact CG2-CD2 3.86Å; I249-F333 HydrophobicContact CG2-CE2 3.77Å; A250-F333 HydrophobicContact CB-CE1 4.3Å; A250-F333 HydrophobicContact CB-CE2 4.36Å; A250-F333 HydrophobicContact CB-CZ 3.83Å; L253-F333 HydrophobicContact CD1-CB 4.38Å; L253-F333 HydrophobicContact CD1-CD2 4.1Å; L253-F333 HydrophobicContact CD1-CG 4.48Å; D329-F333 WeakPolarHBondContact O-CB 3.44Å; D329-F333 PolarHBondContact O-N 3.43Å; V330-F333 WeakPolarHBondContact O-CB 3.5Å; V330-F333 PolarHBondContact O-N 3.29Å; Y331-F333 PolarHBondContact O-N 2.66Å; F333-I335 VanDerWaalsContact C-N 3.35Å; F333-I335 PolarHBondContact O-N 3.23Å; F333-L336 HydrophobicContact CD2-CD2 4.47Å; F333-L336 HydrophobicContact CE2-CD2 4.44Å; F333-L336 WeakPolarHBondContact O-CB 3.45Å; F333-L336 PolarHBondContact O-N 2.96Å; F333-L336 VanDerWaalsContact O-N 3.16Å; F333-I337 HydrophobicContact CD1-CD1 3.93Å; F333-I337 HydrophobicContact CD1-CG1 4.28Å; F333-I337 HydrophobicContact CE1-CD1 3.5Å; F333-I337 VanDerWaalsContact CE1-CD1 3.5Å; F333-I337 HydrophobicContact CE1-CG1 3.93Å; F333-I337 HydrophobicContact CE2-CG1 4.43Å; F333-I337 HydrophobicContact CZ-CD1 4Å; F333-I337 HydrophobicContact CZ-CG1 3.99Å; F333-I337 WeakPolarHBondContact O-CG1 3.33Å; F333-I337 PolarHBondContact O-N 2.99Å; F333-F398 HydrophobicContact CB-CE1 3.83Å; F333-F398 HydrophobicContact CB-CZ 3.83Å; F333-F398 AromaticContact CD1-CE1 3.73Å; F333-F398 HydrophobicContact CD1-CE1 3.73Å; F333-F398 HydrophobicContact CD2-CE1 4.17Å; F333-F398 HydrophobicContact CE1-CE1 4.3Å; F333-F398 AromaticContact CG-CE1 3.64Å; F333-F398 HydrophobicContact CG-CE1 3.64Å; F333-F398 HydrophobicContact CG-CZ 4.17Å; F333-I401 HydrophobicContact CD1-CD1 4.19Å; F333-I401 HydrophobicContact CD1-CG2 4.35Å; F333-I401 HydrophobicContact CE1-CD1 4.42Å; F333-I401 HydrophobicContact CE1-CG2 3.56Å; F333-I401 HydrophobicContact CZ-CG2 4.33Å; F333-L405 HydrophobicContact CZ-CD1 4.49Å
334G98.5Very high96.3Very high0 Ų018.1 Ų18.10%09%0.089CC..Hα-helixtrans-58.7-44.2172.500000112.8V330 Y331 L336 I337 W338V330-G334 PolarHBondContact O-N 2.72Å; Y331-G334 WeakPolarHBondContact O-CA 3.49Å; Y331-G334 PolarHBondContact O-N 3.38Å; G334-L336 VanDerWaalsContact C-N 3.33Å; G334-L336 PolarHBondContact O-N 3.31Å; G334-I337 PolarHBondContact O-N 3.11Å; G334-W338 PolarHBondContact O-N 3.23Å; G334-W338 VanDerWaalsContact O-N 3.1Å
335I98.1Very high96.3Very high0 Ų020.4 Ų20.40%010%0.103CC..Hα-helixtrans-63.1-39.9174.6-54.3-65.8000111.1Y313 Y331 S332 F333 W338 E339 P346 F347 P366 W388Y313-I335 HydrophobicContact CD1-CB 3.85Å; Y313-I335 HydrophobicContact CD1-CG2 3.52Å; Y313-I335 HydrophobicContact CE1-CB 4.36Å; Y313-I335 HydrophobicContact CE1-CG2 3.71Å; Y313-I335 HydrophobicContact CG-CG2 4.26Å; Y331-I335 HydrophobicContact CD1-CG1 4.15Å; Y331-I335 HydrophobicContact CE1-CD1 4.02Å; Y331-I335 HydrophobicContact CE1-CG1 3.8Å; Y331-I335 PolarHBondContact O-N 2.86Å; S332-I335 PolarHBondContact O-N 3.21Å; F333-I335 VanDerWaalsContact C-N 3.35Å; F333-I335 PolarHBondContact O-N 3.23Å; I335-W338 PolarHBondContact O-N 3.44Å; I335-E339 PolarHBondContact O-N 3.48Å; I335-P346 HydrophobicContact CG2-CB 3.8Å; I335-P346 HydrophobicContact CG2-CG 3.72Å; I335-F347 HydrophobicContact CD1-CE2 4.31Å; I335-F347 HydrophobicContact CD1-CZ 4.19Å; I335-P366 HydrophobicContact CD1-CG 3.6Å; I335-W388 HydrophobicContact CD1-CE3 3.67Å; I335-W388 HydrophobicContact CD1-CZ3 4.1Å; I335-W388 HydrophobicContact CG1-CE3 4.48Å
336L98.2Very high96.3Very high0 Ų017.9 Ų17.90%09%0.088CC..Hα-helixtrans-61.3-44.5175-177.4156.1000112I249 V266 T268 V271 S332 F333 G334 W338 E339 C340I249-L336 HydrophobicContact CD1-CD1 4.21Å; I249-L336 HydrophobicContact CD1-CD2 3.78Å; I249-L336 HydrophobicContact CG2-CD1 4.48Å; V266-L336 HydrophobicContact CG1-CD1 3.95Å; T268-L336 HydrophobicContact CG2-CD1 4.44Å; T268-L336 HydrophobicContact CG2-CG 3.84Å; V271-L336 HydrophobicContact CG2-CD1 4.11Å; S332-L336 PolarHBondContact O-N 3.27Å; F333-L336 HydrophobicContact CD2-CD2 4.47Å; F333-L336 HydrophobicContact CE2-CD2 4.44Å; F333-L336 WeakPolarHBondContact O-CB 3.45Å; F333-L336 PolarHBondContact O-N 2.96Å; F333-L336 VanDerWaalsContact O-N 3.16Å; G334-L336 VanDerWaalsContact C-N 3.33Å; G334-L336 PolarHBondContact O-N 3.31Å; L336-W338 VanDerWaalsContact C-N 3.31Å; L336-W338 PolarHBondContact O-N 2.91Å; L336-E339 PolarHBondContact O-N 3.17Å; L336-C340 PolarHBondContact O-N 3.22Å; L336-C340 PolarHBondContact O-SG 3.46Å; L336-C340 VanDerWaalsContact O-SG 3.34Å
337I97.9Very high96.2Very high0 Ų015.7 Ų15.70%08%0.076CC..Hα-helixtrans-59.4-45.8176.4-65.6173.6000110.2F333 G334 E339 C340 V341 L380 I383 A384F333-I337 HydrophobicContact CD1-CD1 3.93Å; F333-I337 HydrophobicContact CD1-CG1 4.28Å; F333-I337 HydrophobicContact CE1-CD1 3.5Å; F333-I337 VanDerWaalsContact CE1-CD1 3.5Å; F333-I337 HydrophobicContact CE1-CG1 3.93Å; F333-I337 HydrophobicContact CE2-CG1 4.43Å; F333-I337 HydrophobicContact CZ-CD1 4Å; F333-I337 HydrophobicContact CZ-CG1 3.99Å; F333-I337 WeakPolarHBondContact O-CG1 3.33Å; F333-I337 PolarHBondContact O-N 2.99Å; G334-I337 PolarHBondContact O-N 3.11Å; I337-E339 VanDerWaalsContact C-N 3.3Å; I337-E339 PolarHBondContact O-N 2.95Å; I337-C340 WeakPolarHBondContact O-CB 3.41Å; I337-C340 PolarHBondContact O-N 3.19Å; I337-C340 VanDerWaalsContact O-N 3.13Å; I337-V341 HydrophobicContact CG2-CG2 4.4Å; I337-V341 WeakPolarHBondContact O-CG2 3.34Å; I337-V341 PolarHBondContact O-N 3.46Å; I337-L380 HydrophobicContact CG2-CB 3.75Å; I337-L380 HydrophobicContact CG2-CD2 4.44Å; I337-L380 WeakPolarHBondContact CG2-O 3.34Å; I337-I383 HydrophobicContact CD1-CB 4.45Å; I337-I383 HydrophobicContact CD1-CG2 3.99Å; I337-A384 HydrophobicContact CB-CB 3.9Å; I337-A384 HydrophobicContact CD1-CB 4.22Å; I337-A384 HydrophobicContact CG2-CB 3.9Å
338W97.1Very high95.9Very high12 Ų1220.5 Ų20.55%0.04510%0.099CC..Hα-helixtrans-58.7-44.2178.4-177.592.8000111.6G334 I335 L336 C340 V341 Y342 Q344 P346 P366 V367 W388G334-W338 PolarHBondContact O-N 3.23Å; G334-W338 VanDerWaalsContact O-N 3.1Å; I335-W338 PolarHBondContact O-N 3.44Å; L336-W338 VanDerWaalsContact C-N 3.31Å; L336-W338 PolarHBondContact O-N 2.91Å; W338-C340 VanDerWaalsContact C-N 3.33Å; W338-C340 PolarHBondContact O-N 3.37Å; W338-V341 PolarHBondContact O-N 3.02Å; W338-Y342 AromaticContact CD1-CD2 3.5Å; W338-Y342 VanDerWaalsContact CD1-CD2 3.5Å; W338-Y342 AromaticContact CD1-CE2 3.56Å; W338-Y342 AromaticContact CD2-CD2 3.8Å; W338-Y342 HydrophobicContact CD2-CD2 3.8Å; W338-Y342 AromaticContact CE2-CD2 3.33Å; W338-Y342 AromaticContact CE2-CE2 3.91Å; W338-Y342 AromaticContact CG-CD2 3.91Å; W338-Y342 HydrophobicContact CG-CD2 3.91Å; W338-Y342 HydrophobicContact CG-CE2 4.39Å; W338-Y342 AromaticContact CZ2-CD2 3.81Å; W338-Y342 HydrophobicContact CZ2-CD2 3.81Å; W338-Y342 HydrophobicContact CZ2-CG 4.07Å; W338-Y342 AromaticContact NE1-CD2 3.16Å; W338-Y342 AromaticContact NE1-CE2 3.25Å; W338-Y342 VanDerWaalsContact NE1-CE2 3.25Å; W338-Y342 PolarHBondContact O-N 2.8Å; W338-Q344 HydrophobicContact CH2-CB 3.78Å; W338-Q344 HydrophobicContact CZ3-CB 4.05Å; W338-Q344 WeakPolarHBondContact CZ3-O 3.31Å; W338-P346 HydrophobicContact CE3-CB 4.49Å; W338-P346 HydrophobicContact CE3-CG 4.3Å; W338-P346 HydrophobicContact CZ3-CB 4.4Å; W338-P346 HydrophobicContact CZ3-CG 4.33Å; W338-P366 HydrophobicContact CB-CB 4.48Å; W338-P366 HydrophobicContact CD2-CB 3.5Å; W338-P366 VanDerWaalsContact CD2-CB 3.5Å; W338-P366 HydrophobicContact CD2-CG 4.32Å; W338-P366 VanDerWaalsContact CE2-CB 3.42Å; W338-P366 HydrophobicContact CE3-CB 4.19Å; W338-P366 HydrophobicContact CG-CB 3.6Å; W338-P366 HydrophobicContact CG-CG 4.28Å; W338-P366 HydrophobicContact CZ2-CB 4.08Å; W338-V367 PolarHBondContact NE1-O 3.42Å; W338-W388 HydrophobicContact CB-CH2 4.01Å; W338-W388 HydrophobicContact CB-CZ3 3.68Å; W338-W388 AromaticContact CD1-CH2 3.64Å; W338-W388 HydrophobicContact CG-CH2 4.02Å; W338-W388 HydrophobicContact CG-CZ3 4.07Å
339E96Very high95.6Very high0 Ų024.4 Ų24.40%014%0.14CC..Hα-helixtrans-62.2-38.7175.9-173.8172.9-159.600112.1Q227 L230 R231 T268 Y313 I335 L336 I337 V341 Q343 P346Q227-E339 PolarHBondContact NE2-OE1 2.82Å; L230-E339 HydrophobicContact CD1-CG 4.23Å; R231-E339 IonicContact CZ-OE1 2.8Å; R231-E339 IonicContact NH2-OE1 2.67Å; R231-E339 PolarHBondContact NH2-OE1 3.42Å; T268-E339 WeakPolarHBondContact CB-OE2 3.36Å; T268-E339 HydrophobicContact CG2-CB 4.14Å; T268-E339 HydrophobicContact CG2-CG 3.95Å; T268-E339 WeakPolarHBondContact CG2-OE2 3.39Å; T268-E339 PolarHBondContact OG1-OE1 3.42Å; T268-E339 PolarHBondContact OG1-OE2 3.13Å; Y313-E339 PolarHBondContact OH-OE2 3.31Å; I335-E339 PolarHBondContact O-N 3.48Å; L336-E339 PolarHBondContact O-N 3.17Å; I337-E339 VanDerWaalsContact C-N 3.3Å; I337-E339 PolarHBondContact O-N 2.95Å; E339-V341 PolarHBondContact O-N 3.16Å; E339-Q343 VanDerWaalsContact O-CA 3.22Å; E339-Q343 WeakPolarHBondContact O-CA 3.4Å; E339-Q343 PolarHBondContact O-N 2.8Å; E339-P346 HydrophobicContact CB-CG 4.33Å
340C95.5Very high95.3Very high1 Ų128.2 Ų28.21%0.00716%0.16CC..Hα-helixtrans-62.4-41.3174.6-72.70000112.8K242 L336 I337 W338K242-C340 VanDerWaalsContact CD-O 3.26Å; K242-C340 WeakPolarHBondContact CD-O 3.35Å; K242-C340 WeakPolarHBondContact CE-O 3.49Å; K242-C340 PolarHBondContact NZ-O 3.25Å; L336-C340 PolarHBondContact O-N 3.22Å; L336-C340 PolarHBondContact O-SG 3.46Å; L336-C340 VanDerWaalsContact O-SG 3.34Å; I337-C340 WeakPolarHBondContact O-CB 3.41Å; I337-C340 PolarHBondContact O-N 3.19Å; I337-C340 VanDerWaalsContact O-N 3.13Å; W338-C340 VanDerWaalsContact C-N 3.33Å; W338-C340 PolarHBondContact O-N 3.37Å
341V94.9Very high95Very high8 Ų831.9 Ų31.95%0.04818%0.179CC..Hα-helixtrans-72.1-55.6-177.6173.10000110.5K242 I337 W338 E339 I373 E377 L380 L381K242-V341 PolarHBondContact NZ-O 3.33Å; I337-V341 HydrophobicContact CG2-CG2 4.4Å; I337-V341 WeakPolarHBondContact O-CG2 3.34Å; I337-V341 PolarHBondContact O-N 3.46Å; W338-V341 PolarHBondContact O-N 3.02Å; E339-V341 PolarHBondContact O-N 3.16Å; V341-I373 HydrophobicContact CG1-CG2 4.18Å; V341-E377 HydrophobicContact CG1-CB 3.87Å; V341-E377 HydrophobicContact CG1-CG 4.1Å; V341-E377 HydrophobicContact CG2-CB 4.32Å; V341-E377 HydrophobicContact CG2-CG 4.32Å; V341-L380 HydrophobicContact CG2-CB 4.09Å; V341-L380 HydrophobicContact CG2-CD1 4.24Å; V341-L381 HydrophobicContact CB-CD2 4.05Å; V341-L381 HydrophobicContact CB-CG 4.37Å; V341-L381 HydrophobicContact CG1-CD1 3.97Å; V341-L381 HydrophobicContact CG1-CD2 4.19Å; V341-L381 HydrophobicContact CG1-CG 4.1Å; V341-L381 HydrophobicContact CG2-CD2 4.09Å; V341-L381 HydrophobicContact CG2-CG 4.17Å
342Y93.4Very high94.4Very high36 Ų3635 Ų3514%0.14120%0.199CC..Hα-helixtrans-83.2-17.4-173.8-73.4-71.9000114.3W338 Q344 I368 L369 I373 L381W338-Y342 AromaticContact CD1-CD2 3.5Å; W338-Y342 VanDerWaalsContact CD1-CD2 3.5Å; W338-Y342 AromaticContact CD1-CE2 3.56Å; W338-Y342 AromaticContact CD2-CD2 3.8Å; W338-Y342 HydrophobicContact CD2-CD2 3.8Å; W338-Y342 AromaticContact CE2-CD2 3.33Å; W338-Y342 AromaticContact CE2-CE2 3.91Å; W338-Y342 AromaticContact CG-CD2 3.91Å; W338-Y342 HydrophobicContact CG-CD2 3.91Å; W338-Y342 HydrophobicContact CG-CE2 4.39Å; W338-Y342 AromaticContact CZ2-CD2 3.81Å; W338-Y342 HydrophobicContact CZ2-CD2 3.81Å; W338-Y342 HydrophobicContact CZ2-CG 4.07Å; W338-Y342 AromaticContact NE1-CD2 3.16Å; W338-Y342 AromaticContact NE1-CE2 3.25Å; W338-Y342 VanDerWaalsContact NE1-CE2 3.25Å; W338-Y342 PolarHBondContact O-N 2.8Å; Y342-Q344 WeakPolarHBondContact O-CG 3.4Å; Y342-Q344 PolarHBondContact O-N 3.39Å; Y342-Q344 VanDerWaalsContact O-N 3.16Å; Y342-I368 HydrophobicContact CE2-CG1 4.35Å; Y342-I368 WeakPolarHBondContact OH-CA 3.38Å; Y342-L369 HydrophobicContact CE1-CB 4.23Å; Y342-L369 PolarHBondContact OH-N 3.19Å; Y342-L369 PolarHBondContact OH-O 3.22Å; Y342-I373 HydrophobicContact CE1-CG2 4.37Å; Y342-L381 HydrophobicContact CD2-CD2 4.4Å; Y342-L381 HydrophobicContact CE2-CD1 3.83Å; Y342-L381 HydrophobicContact CE2-CD2 3.85Å; Y342-L381 WeakPolarHBondContact OH-CD1 3.33Å
343Q93Very high94Very high61 Ų6141.5 Ų41.529%0.28523%0.229SC..  trans53.933.4-175.6-62.9172.711.900111.7L230 R231 K242 E339L230-Q343 HydrophobicContact CB-CG 4.28Å; L230-Q343 HydrophobicContact CD2-CG 3.71Å; R231-Q343 PolarHBondContact NH1-O 2.89Å; K242-Q343 VanDerWaalsContact CE-NE2 3.29Å; E339-Q343 VanDerWaalsContact O-CA 3.22Å; E339-Q343 WeakPolarHBondContact O-CA 3.4Å; E339-Q343 PolarHBondContact O-N 2.8Å
344Q91.5Very high93.7Very high88 Ų8844 Ų4441%0.41124%0.244SC..SBendtrans-122.3153.2-175.6-79.3177.78.300111R231 W338 Y342R231-Q344 VanDerWaalsContact CZ-C 3.4Å; R231-Q344 PolarHBondContact NH2-O 3.45Å; W338-Q344 HydrophobicContact CH2-CB 3.78Å; W338-Q344 HydrophobicContact CZ3-CB 4.05Å; W338-Q344 WeakPolarHBondContact CZ3-O 3.31Å; Y342-Q344 WeakPolarHBondContact O-CG 3.4Å; Y342-Q344 PolarHBondContact O-N 3.39Å; Y342-Q344 VanDerWaalsContact O-N 3.16Å
345V92.1Very high93.4Very high57 Ų5744.1 Ų44.135%0.34525%0.245SC..  trans-71.2127.6179.7178.10000107.5R231 F347 E348R231-V345 VanDerWaalsContact NH1-N 3.18Å; V345-F347 PolarHBondContact O-N 3.39Å; V345-E348 HydrophobicContact CB-CB 4.23Å; V345-E348 HydrophobicContact CB-CG 4.49Å; V345-E348 WeakPolarHBondContact O-CB 3.37Å; V345-E348 PolarHBondContact O-N 2.73Å
346P93.3Very high93.1Very high3 Ų345.7 Ų45.72%0.01925%0.254CS..THydrogen-bonded Turntrans-57.7128.8177.4-24.333.9000110.9I312 Y313 I335 W338 E339 E348I312-P346 HydrophobicContact CD1-CB 4.43Å; Y313-P346 HydrophobicContact CE1-CG 4.39Å; I335-P346 HydrophobicContact CG2-CB 3.8Å; I335-P346 HydrophobicContact CG2-CG 3.72Å; W338-P346 HydrophobicContact CE3-CB 4.49Å; W338-P346 HydrophobicContact CE3-CG 4.3Å; W338-P346 HydrophobicContact CZ3-CB 4.4Å; W338-P346 HydrophobicContact CZ3-CG 4.33Å; E339-P346 HydrophobicContact CB-CG 4.33Å; P346-E348 VanDerWaalsContact C-N 3.28Å; P346-E348 PolarHBondContact O-N 3.06Å
347F94Very high92.9Very high21 Ų2151.8 Ų51.89%0.09228%0.281CS..THydrogen-bonded Turntrans59.833.7-179.5-43.2-75.8000114.4I312 I335 V345 G349 L350 V355 V359 L364 P366I312-F347 HydrophobicContact CB-CD2 4.23Å; I312-F347 WeakPolarHBondContact O-CE2 3.36Å; I335-F347 HydrophobicContact CD1-CE2 4.31Å; I335-F347 HydrophobicContact CD1-CZ 4.19Å; V345-F347 PolarHBondContact O-N 3.39Å; F347-G349 PolarHBondContact O-N 3.2Å; F347-L350 HydrophobicContact CB-CD1 4.46Å; F347-L350 PolarHBondContact O-N 3.16Å; F347-V355 HydrophobicContact CB-CG1 4.31Å; F347-V355 HydrophobicContact CB-CG2 3.62Å; F347-V355 HydrophobicContact CD1-CG1 4.49Å; F347-V355 HydrophobicContact CD2-CG1 3.68Å; F347-V355 HydrophobicContact CD2-CG2 4.48Å; F347-V355 HydrophobicContact CE2-CG1 4.07Å; F347-V355 HydrophobicContact CG-CG1 3.91Å; F347-V355 HydrophobicContact CG-CG2 4.14Å; F347-V359 HydrophobicContact CZ-CG2 4.25Å; F347-L364 HydrophobicContact CD1-CD2 3.82Å; F347-L364 HydrophobicContact CD1-CG 4.15Å; F347-L364 HydrophobicContact CE1-CD2 4.09Å; F347-L364 HydrophobicContact CE1-CG 3.96Å; F347-P366 HydrophobicContact CE1-CG 3.96Å; F347-P366 HydrophobicContact CE2-CG 4.32Å; F347-P366 HydrophobicContact CZ-CG 3.71Å
348E91.1Very high92.8Very high134 Ų13453 Ų5363%0.62629%0.29SS*.THydrogen-bonded Turntrans-48.7136.7177-170.2165.6-153.700112.7V345 P346 L350V345-E348 HydrophobicContact CB-CB 4.23Å; V345-E348 HydrophobicContact CB-CG 4.49Å; V345-E348 WeakPolarHBondContact O-CB 3.37Å; V345-E348 PolarHBondContact O-N 2.73Å; P346-E348 VanDerWaalsContact C-N 3.28Å; P346-E348 PolarHBondContact O-N 3.06Å; E348-L350 VanDerWaalsContact C-N 3.34Å
349G91.2Very high92.7Very high83 Ų8352.6 Ų52.686%0.85629%0.288SS*.THydrogen-bonded Turntrans86.2-7.1-178.200000115.5F347F347-G349 PolarHBondContact O-N 3.2Å
350L92Very high92.6Very high79 Ų7954.4 Ų54.441%0.41430%0.299SS..SBendtrans-102.4140.2173.2-59.4179.9000110.9F347 E348 T354 V355 L364F347-L350 HydrophobicContact CB-CD1 4.46Å; F347-L350 PolarHBondContact O-N 3.16Å; E348-L350 VanDerWaalsContact C-N 3.34Å; L350-T354 HydrophobicContact CD2-CG2 4.33Å; L350-V355 HydrophobicContact CB-CG2 3.7Å; L350-V355 HydrophobicContact CD1-CG2 4.35Å; L350-L364 HydrophobicContact CD1-CD2 3.88Å
351D90.9Very high92.6Very high78 Ų7857 Ų5742%0.41732%0.321SS..  trans-69.1149.3170.77886.9000110.6H353 T354 V355D351-H353 PolarHBondContact O-N 3.31Å; D351-H353 VanDerWaalsContact O-N 3.14Å; D351-H353 WeakPolarHBondContact OD1-CA 3.3Å; D351-H353 WeakPolarHBondContact OD1-CB 3.48Å; D351-H353 PolarHBondContact OD1-N 3.05Å; D351-T354 PolarHBondContact O-N 3.2Å; D351-T354 VanDerWaalsContact O-N 3.09Å; D351-T354 PolarHBondContact OD1-N 3.35Å; D351-T354 WeakPolarHBondContact OD2-CB 3.25Å; D351-T354 PolarHBondContact OD2-OG1 3.17Å; D351-V355 WeakPolarHBondContact O-CG2 3.14Å; D351-V355 PolarHBondContact O-N 2.66Å
352P87.8Confident92.6Very high66 Ų6663.8 Ų63.843%0.42935%0.35SS..Hα-helixtrans-56.2-33.3-176.4-28.335.6000114.7L311 V355 V356L311-P352 HydrophobicContact CD1-CB 4.22Å; P352-V355 PolarHBondContact O-N 3.18Å; P352-V356 WeakPolarHBondContact O-CG2 3.31Å; P352-V356 PolarHBondContact O-N 2.91Å
353H88.7Confident92.6Very high145 Ų14568 Ų6867%0.67137%0.371SS*.Hα-helixtrans-73.9-37.7179.5-63-73000111.5D351 V355 V356 F357D351-H353 PolarHBondContact O-N 3.31Å; D351-H353 VanDerWaalsContact O-N 3.14Å; D351-H353 WeakPolarHBondContact OD1-CA 3.3Å; D351-H353 WeakPolarHBondContact OD1-CB 3.48Å; D351-H353 PolarHBondContact OD1-N 3.05Å; H353-V355 VanDerWaalsContact C-N 3.32Å; H353-V356 WeakPolarHBondContact O-CB 3.4Å; H353-V356 PolarHBondContact O-N 2.72Å; H353-F357 PolarHBondContact O-N 3.35Å
354T93.1Very high92.8Very high51 Ų5167.6 Ų67.631%0.31337%0.37SS..Hα-helixtrans-62.4-39.5169.5-68.70000111.4L350 D351 V356 F357 C358L350-T354 HydrophobicContact CD2-CG2 4.33Å; D351-T354 PolarHBondContact O-N 3.2Å; D351-T354 VanDerWaalsContact O-N 3.09Å; D351-T354 PolarHBondContact OD1-N 3.35Å; D351-T354 WeakPolarHBondContact OD2-CB 3.25Å; D351-T354 PolarHBondContact OD2-OG1 3.17Å; T354-V356 PolarHBondContact O-N 3.05Å; T354-F357 PolarHBondContact O-N 2.81Å; T354-C358 VanDerWaalsContact O-CB 3.3Å; T354-C358 WeakPolarHBondContact O-CB 3.17Å; T354-C358 PolarHBondContact O-N 3.18Å; T354-C358 PolarHBondContact O-SG 2.82Å; T354-C358 VanDerWaalsContact O-SG 3.35Å
355V92.6Very high93Very high3 Ų365.3 Ų65.32%0.01836%0.357CS..Hα-helixtrans-59-47.8173.4176.30000110.5I312 F347 L350 D351 P352 H353 F357 C358 V359I312-V355 HydrophobicContact CG2-CB 4.46Å; I312-V355 HydrophobicContact CG2-CG1 4.24Å; I312-V355 HydrophobicContact CG2-CG2 4.45Å; F347-V355 HydrophobicContact CB-CG1 4.31Å; F347-V355 HydrophobicContact CB-CG2 3.62Å; F347-V355 HydrophobicContact CD1-CG1 4.49Å; F347-V355 HydrophobicContact CD2-CG1 3.68Å; F347-V355 HydrophobicContact CD2-CG2 4.48Å; F347-V355 HydrophobicContact CE2-CG1 4.07Å; F347-V355 HydrophobicContact CG-CG1 3.91Å; F347-V355 HydrophobicContact CG-CG2 4.14Å; L350-V355 HydrophobicContact CB-CG2 3.7Å; L350-V355 HydrophobicContact CD1-CG2 4.35Å; D351-V355 WeakPolarHBondContact O-CG2 3.14Å; D351-V355 PolarHBondContact O-N 2.66Å; P352-V355 PolarHBondContact O-N 3.18Å; H353-V355 VanDerWaalsContact C-N 3.32Å; V355-F357 PolarHBondContact O-N 3.21Å; V355-C358 PolarHBondContact O-N 3.15Å; V355-V359 HydrophobicContact CG1-CG2 3.93Å; V355-V359 WeakPolarHBondContact O-CB 3.46Å; V355-V359 VanDerWaalsContact O-CG2 3.23Å; V355-V359 WeakPolarHBondContact O-CG2 3.47Å; V355-V359 PolarHBondContact O-N 3.12Å
356V91.6Very high93.1Very high33 Ų3363 Ų6320%0.234%0.344CS..Hα-helixtrans-55.8-50.2176.9169.90000111.3L311 L319 P352 H353 T354 V360L311-V356 HydrophobicContact CB-CG2 4.2Å; L311-V356 HydrophobicContact CD1-CG2 4.32Å; L311-V356 HydrophobicContact CD2-CG2 4.22Å; L311-V356 HydrophobicContact CG-CG2 4.49Å; L319-V356 HydrophobicContact CB-CG1 4.33Å; L319-V356 HydrophobicContact CD1-CG1 4.35Å; L319-V356 HydrophobicContact CD1-CG2 4.37Å; L319-V356 HydrophobicContact CD2-CB 4.29Å; L319-V356 HydrophobicContact CD2-CG1 3.9Å; L319-V356 HydrophobicContact CD2-CG2 3.59Å; L319-V356 HydrophobicContact CG-CG1 4.44Å; P352-V356 WeakPolarHBondContact O-CG2 3.31Å; P352-V356 PolarHBondContact O-N 2.91Å; H353-V356 WeakPolarHBondContact O-CB 3.4Å; H353-V356 PolarHBondContact O-N 2.72Å; T354-V356 PolarHBondContact O-N 3.05Å; V356-V360 WeakPolarHBondContact O-CB 3.37Å; V356-V360 VanDerWaalsContact O-CG2 3.31Å; V356-V360 WeakPolarHBondContact O-CG2 3.4Å; V356-V360 PolarHBondContact O-N 2.93Å; V356-V360 VanDerWaalsContact O-N 3.08Å
357F93.9Very high93Very high128 Ų12867.6 Ų67.656%0.56137%0.372SS*.Hα-helixtrans-60.7-48.1178.6177.2-96.8000111.8H353 T354 V355 V360 A361H353-F357 PolarHBondContact O-N 3.35Å; T354-F357 PolarHBondContact O-N 2.81Å; V355-F357 PolarHBondContact O-N 3.21Å; F357-V360 PolarHBondContact O-N 2.83Å; F357-A361 HydrophobicContact CD2-CB 4.26Å; F357-A361 HydrophobicContact CE1-CB 4.29Å; F357-A361 HydrophobicContact CE2-CB 3.96Å; F357-A361 HydrophobicContact CZ-CB 3.98Å; F357-A361 WeakPolarHBondContact O-CA 3.35Å; F357-A361 WeakPolarHBondContact O-CB 3.25Å; F357-A361 PolarHBondContact O-N 3.12Å
358C95.6Very high92.9Very high27 Ų2768.6 Ų68.618%0.18238%0.377CS..Hα-helixtrans-68.2-38.5-177.2-72.90000112.7T354 V355 K362 Q363 L364T354-C358 VanDerWaalsContact O-CB 3.3Å; T354-C358 WeakPolarHBondContact O-CB 3.17Å; T354-C358 PolarHBondContact O-N 3.18Å; T354-C358 PolarHBondContact O-SG 2.82Å; T354-C358 VanDerWaalsContact O-SG 3.35Å; V355-C358 PolarHBondContact O-N 3.15Å; C358-K362 CarbonylContact O-C 3.3Å; C358-K362 VanDerWaalsContact O-C 3.3Å; C358-K362 VanDerWaalsContact O-CA 3.25Å; C358-K362 WeakPolarHBondContact O-CA 3.43Å; C358-K362 VanDerWaalsContact O-CB 3.27Å; C358-K362 WeakPolarHBondContact O-CB 3.4Å; C358-K362 PolarHBondContact O-N 2.96Å; C358-Q363 PolarHBondContact O-N 3.29Å; C358-Q363 VanDerWaalsContact O-N 3.12Å; C358-L364 HydrophobicContact CB-CB 3.81Å; C358-L364 HydrophobicContact CB-CD2 3.57Å; C358-L364 HydrophobicContact CB-CG 4.3Å; C358-L364 WeakPolarHBondContact O-CB 3.37Å; C358-L364 PolarHBondContact O-N 3.4Å
359V95.1Very high92.8Very high3 Ų366.8 Ų66.82%0.01837%0.372CS..Hα-helixtrans-62.5-46.9174.9168.90000110.1P316 L319 F347 V355 Q363 L364P316-V359 HydrophobicContact CB-CG1 4.4Å; P316-V359 HydrophobicContact CG-CG1 3.87Å; L319-V359 HydrophobicContact CD1-CB 4.26Å; L319-V359 HydrophobicContact CD1-CG1 3.94Å; F347-V359 HydrophobicContact CZ-CG2 4.25Å; V355-V359 HydrophobicContact CG1-CG2 3.93Å; V355-V359 WeakPolarHBondContact O-CB 3.46Å; V355-V359 VanDerWaalsContact O-CG2 3.23Å; V355-V359 WeakPolarHBondContact O-CG2 3.47Å; V355-V359 PolarHBondContact O-N 3.12Å; V359-Q363 WeakPolarHBondContact O-CA 3.5Å; V359-Q363 PolarHBondContact O-N 3.34Å; V359-L364 HydrophobicContact CG2-CB 4.42Å
360V94.2Very high92.1Very high38 Ų3867.4 Ų67.423%0.2336%0.358CS..Hα-helixtrans-76-43.5-175.5171.70000113.1L319 R320 V356 F357L319-V360 HydrophobicContact CB-CG2 3.49Å; L319-V360 VanDerWaalsContact CB-CG2 3.49Å; L319-V360 HydrophobicContact CD1-CG2 4.03Å; L319-V360 HydrophobicContact CG-CG2 4.42Å; R320-V360 HydrophobicContact CG-CG1 3.78Å; R320-V360 HydrophobicContact CG-CG2 4.42Å; R320-V360 PolarHBondContact NH2-O 2.82Å; V356-V360 WeakPolarHBondContact O-CB 3.37Å; V356-V360 VanDerWaalsContact O-CG2 3.31Å; V356-V360 WeakPolarHBondContact O-CG2 3.4Å; V356-V360 PolarHBondContact O-N 2.93Å; V356-V360 VanDerWaalsContact O-N 3.08Å; F357-V360 PolarHBondContact O-N 2.83Å
361A94.4Very high91.3Very high55 Ų5568.7 Ų68.746%0.45537%0.37SS..Hα-helixtrans-98.8-24.9-170.200000113.7F357F357-A361 HydrophobicContact CD2-CB 4.26Å; F357-A361 HydrophobicContact CE1-CB 4.29Å; F357-A361 HydrophobicContact CE2-CB 3.96Å; F357-A361 HydrophobicContact CZ-CB 3.98Å; F357-A361 WeakPolarHBondContact O-CA 3.35Å; F357-A361 WeakPolarHBondContact O-CB 3.25Å; F357-A361 PolarHBondContact O-N 3.12Å
362K94.7Very high90.7Very high151 Ų15174 Ų7466%0.65739%0.394SS*.Hα-helixtrans-117.22.4-178-56-62.9-177.1-175.40113.4C358 L364C358-K362 CarbonylContact O-C 3.3Å; C358-K362 VanDerWaalsContact O-C 3.3Å; C358-K362 VanDerWaalsContact O-CA 3.25Å; C358-K362 WeakPolarHBondContact O-CA 3.43Å; C358-K362 VanDerWaalsContact O-CB 3.27Å; C358-K362 WeakPolarHBondContact O-CB 3.4Å; C358-K362 PolarHBondContact O-N 2.96Å; K362-L364 PolarHBondContact O-N 3.34Å
363Q94.8Very high90.7Very high125 Ų12572.4 Ų72.458%0.58438%0.382SS*.  trans52.636.5-175.1-57179.518.600111.9C358 V359 R365 E390C358-Q363 PolarHBondContact O-N 3.29Å; C358-Q363 VanDerWaalsContact O-N 3.12Å; V359-Q363 WeakPolarHBondContact O-CA 3.5Å; V359-Q363 PolarHBondContact O-N 3.34Å; Q363-R365 PolarHBondContact O-N 3.42Å; Q363-E390 HydrophobicContact CG-CG 4.26Å
364L96Very high90.8Very high51 Ų5168.3 Ų68.327%0.26737%0.367SS..  trans-58.3136.2177.9-178.666.3000109.8F347 L350 C358 V359 K362F347-L364 HydrophobicContact CD1-CD2 3.82Å; F347-L364 HydrophobicContact CD1-CG 4.15Å; F347-L364 HydrophobicContact CE1-CD2 4.09Å; F347-L364 HydrophobicContact CE1-CG 3.96Å; L350-L364 HydrophobicContact CD1-CD2 3.88Å; C358-L364 HydrophobicContact CB-CB 3.81Å; C358-L364 HydrophobicContact CB-CD2 3.57Å; C358-L364 HydrophobicContact CB-CG 4.3Å; C358-L364 WeakPolarHBondContact O-CB 3.37Å; C358-L364 PolarHBondContact O-N 3.4Å; V359-L364 HydrophobicContact CG2-CB 4.42Å; K362-L364 PolarHBondContact O-N 3.34Å
365R96.2Very high90.7Very high40 Ų4071.9 Ų71.915%0.15139%0.385CS..  trans-133.9158.4172.8-65-60.6-178.4-84-2.7109.9Q363 W388 E390Q363-R365 PolarHBondContact O-N 3.42Å; R365-W388 HydrophobicContact CG-CG 4.49Å; R365-W388 PolarHBondContact NE-O 3.31Å; R365-W388 PolarHBondContact NH2-O 2.79Å; R365-E390 IonicContact CZ-OE2 2.68Å; R365-E390 IonicContact NH1-OE2 2.73Å; R365-E390 VanDerWaalsContact NH2-CA 3.31Å; R365-E390 IonicContact NH2-OE2 3.52Å; R365-E390 PolarHBondContact NH2-OE2 3.38Å
366P93.7Very high90.6Very high9 Ų973.6 Ų73.66%0.05839%0.39CS..  trans-57.7139.2175.8-25.136.2000112I335 W338 F347 W388I335-P366 HydrophobicContact CD1-CG 3.6Å; W338-P366 HydrophobicContact CB-CB 4.48Å; W338-P366 HydrophobicContact CD2-CB 3.5Å; W338-P366 VanDerWaalsContact CD2-CB 3.5Å; W338-P366 HydrophobicContact CD2-CG 4.32Å; W338-P366 VanDerWaalsContact CE2-CB 3.42Å; W338-P366 HydrophobicContact CE3-CB 4.19Å; W338-P366 HydrophobicContact CG-CB 3.6Å; W338-P366 HydrophobicContact CG-CG 4.28Å; W338-P366 HydrophobicContact CZ2-CB 4.08Å; F347-P366 HydrophobicContact CE1-CG 3.96Å; F347-P366 HydrophobicContact CE2-CG 4.32Å; F347-P366 HydrophobicContact CZ-CG 3.71Å; P366-W388 HydrophobicContact CB-CH2 3.8Å; P366-W388 HydrophobicContact CB-CZ3 3.9Å; P366-W388 HydrophobicContact CG-CE3 4.13Å; P366-W388 HydrophobicContact CG-CH2 3.87Å; P366-W388 HydrophobicContact CG-CZ3 3.49Å; P366-W388 VanDerWaalsContact CG-CZ3 3.49Å
367V92.5Very high90.7Very high100 Ų10072.8 Ų72.861%0.60639%0.385SS*.  trans-71.3133.3-176.4178.20000109.9W338 L369W338-V367 PolarHBondContact NE1-O 3.42Å; V367-L369 HydrophobicContact CG1-CD2 3.94Å; V367-L369 HydrophobicContact CG1-CG 4.23Å
368I92Very high90.7Very high41 Ų4171.4 Ų71.421%0.2138%0.378CS..  trans-106.9109.8174.2-72.7165.4000109.2Y342 V370 L381 Q385 W388Y342-I368 HydrophobicContact CE2-CG1 4.35Å; Y342-I368 WeakPolarHBondContact OH-CA 3.38Å; I368-V370 HydrophobicContact CG2-CG2 4.22Å; I368-L381 HydrophobicContact CD1-CB 4.25Å; I368-L381 HydrophobicContact CD1-CD2 4.41Å; I368-L381 HydrophobicContact CG1-CD1 4.38Å; I368-L381 HydrophobicContact CG1-CD2 4.3Å; I368-L381 HydrophobicContact CG2-CD1 3.99Å; I368-Q385 HydrophobicContact CD1-CG 3.55Å; I368-W388 HydrophobicContact CD1-CH2 4.13Å; I368-W388 HydrophobicContact CD1-CZ2 3.77Å
369L87.3Confident90.6Very high97 Ų9773 Ų7351%0.50838%0.382SS..  trans-92.9112.4170.7-57.4177.1000108.9Y342 V367 T371Y342-L369 HydrophobicContact CE1-CB 4.23Å; Y342-L369 PolarHBondContact OH-N 3.19Å; Y342-L369 PolarHBondContact OH-O 3.22Å; V367-L369 HydrophobicContact CG1-CD2 3.94Å; V367-L369 HydrophobicContact CG1-CG 4.23Å; L369-T371 VanDerWaalsContact C-N 3.32Å
370V77.4Confident90.6Very high95 Ų9573 Ų7358%0.57638%0.382SS*.  trans-80.8-16.2-176.5-169.60000112.1I368 M372 I373I368-V370 HydrophobicContact CG2-CG2 4.22Å; V370-M372 PolarHBondContact O-N 3.44Å; V370-I373 HydrophobicContact CG1-CD1 4.5Å
371T74.2Confident90.7Very high107 Ų10771.2 Ų71.266%0.65637%0.371SS*.THydrogen-bonded Turntrans-77.5118.2173.856.70000108.2L369L369-T371 VanDerWaalsContact C-N 3.32Å
372M78.3Confident90.8Very high188 Ų18871.9 Ų71.993%0.92637%0.367SS*.THydrogen-bonded Turntrans92.319.5178.7-46.1-58.1178.400117.9V370V370-M372 PolarHBondContact O-N 3.44Å
373I88.2Confident90.9Very high34 Ų3465 Ų6517%0.17434%0.337CS..  trans-111.1144.6170.961.1175000111.6V341 Y342 V370 E377 K378 L381V341-I373 HydrophobicContact CG1-CG2 4.18Å; Y342-I373 HydrophobicContact CE1-CG2 4.37Å; V370-I373 HydrophobicContact CG1-CD1 4.5Å; I373-E377 HydrophobicContact CB-CB 4.03Å; I373-K378 HydrophobicContact CD1-CB 3.88Å; I373-K378 HydrophobicContact CD1-CG 4.35Å; I373-K378 HydrophobicContact CG1-CB 4.46Å; I373-L381 HydrophobicContact CD1-CD1 3.67Å
374T91.4Very high91Very high59 Ų5959 Ų5936%0.36231%0.309SS..  trans-72.2164172.961.80000111.6P239 R376 E377 K378P239-T374 HydrophobicContact CG-CG2 3.86Å; T374-R376 PolarHBondContact O-N 3.48Å; T374-E377 WeakPolarHBondContact CB-OE2 3.28Å; T374-E377 WeakPolarHBondContact CG2-OE2 3.08Å; T374-E377 PolarHBondContact N-OE2 2.76Å; T374-E377 PolarHBondContact O-N 3.18Å; T374-E377 VanDerWaalsContact O-N 3.13Å; T374-E377 WeakPolarHBondContact OG1-CG 3.48Å; T374-E377 PolarHBondContact OG1-N 3.06Å; T374-E377 PolarHBondContact OG1-OE2 2.87Å; T374-K378 PolarHBondContact O-N 3.46Å
375N90.1Very high91.1Very high126 Ų12661 Ų6167%0.67432%0.318SS*.Hα-helixtrans-57.4-34.3173.8-75-24.3000112.6K379N375-K379 WeakPolarHBondContact O-CB 3.47Å; N375-K379 WeakPolarHBondContact O-CD 3.29Å; N375-K379 VanDerWaalsContact O-CG 3.26Å; N375-K379 WeakPolarHBondContact O-CG 3.45Å; N375-K379 PolarHBondContact O-N 2.97Å; N375-K379 VanDerWaalsContact O-N 3.13Å
376R91Very high91.2Very high38 Ų3863.5 Ų63.514%0.14333%0.331CS..Hα-helixtrans-68.5-41.5176.1-70.5-176.8-179.1-107.412112.2P239 T374 K379 L380 D412P239-R376 HydrophobicContact CB-CB 4.21Å; T374-R376 PolarHBondContact O-N 3.48Å; R376-K379 WeakPolarHBondContact O-CB 3.23Å; R376-K379 PolarHBondContact O-N 3Å; R376-L380 PolarHBondContact O-N 3.02Å; R376-L380 VanDerWaalsContact O-N 3.07Å; R376-D412 IonicContact CZ-OD2 3.84Å; R376-D412 IonicContact NE-OD2 2.75Å; R376-D412 PolarHBondContact NE-OD2 3.39Å; R376-D412 IonicContact NH2-OD2 3.75Å; R376-D412 PolarHBondContact NH2-OD2 2.87Å
377E93.3Very high91.4Very high17 Ų1763 Ų638%0.07933%0.328CS..Hα-helixtrans-69.2-39.1176.6-74.8162.9144.300111.7P239 K242 V341 I373 T374 K379 L380 L381P239-E377 HydrophobicContact CB-CG 4.22Å; K242-E377 IonicContact NZ-OE1 3.45Å; K242-E377 PolarHBondContact NZ-OE1 3.17Å; V341-E377 HydrophobicContact CG1-CB 3.87Å; V341-E377 HydrophobicContact CG1-CG 4.1Å; V341-E377 HydrophobicContact CG2-CB 4.32Å; V341-E377 HydrophobicContact CG2-CG 4.32Å; I373-E377 HydrophobicContact CB-CB 4.03Å; T374-E377 WeakPolarHBondContact CB-OE2 3.28Å; T374-E377 WeakPolarHBondContact CG2-OE2 3.08Å; T374-E377 PolarHBondContact N-OE2 2.76Å; T374-E377 PolarHBondContact O-N 3.18Å; T374-E377 VanDerWaalsContact O-N 3.13Å; T374-E377 WeakPolarHBondContact OG1-CG 3.48Å; T374-E377 PolarHBondContact OG1-N 3.06Å; T374-E377 PolarHBondContact OG1-OE2 2.87Å; E377-K379 VanDerWaalsContact C-N 3.31Å; E377-K379 PolarHBondContact O-N 3.44Å; E377-L380 WeakPolarHBondContact O-CB 3.32Å; E377-L380 PolarHBondContact O-N 2.79Å; E377-L380 VanDerWaalsContact O-N 3.16Å; E377-L381 WeakPolarHBondContact O-CG 3.42Å; E377-L381 PolarHBondContact O-N 2.76Å
378K93.7Very high91.6Very high99 Ų9959 Ų5943%0.4330%0.302SS..Hα-helixtrans-56-48.5172.5-176.6-179.3176-176.40111.4I373 T374 L380 L381 D382I373-K378 HydrophobicContact CD1-CB 3.88Å; I373-K378 HydrophobicContact CD1-CG 4.35Å; I373-K378 HydrophobicContact CG1-CB 4.46Å; T374-K378 PolarHBondContact O-N 3.46Å; K378-L380 VanDerWaalsContact C-N 3.32Å; K378-L380 PolarHBondContact O-N 3.21Å; K378-L381 CarbonylContact O-C 3.22Å; K378-L381 WeakPolarHBondContact O-CA 3.34Å; K378-L381 WeakPolarHBondContact O-CB 3.49Å; K378-L381 PolarHBondContact O-N 3.45Å; K378-D382 VanDerWaalsContact O-CG 3.26Å; K378-D382 PolarHBondContact O-N 2.87Å
379K93.1Very high91.9Very high60 Ų6059.6 Ų59.626%0.26131%0.306SS..Hα-helixtrans-57.7-41.4175.8-79.9166.6165.2-174.10113.2N375 R376 E377 L381 D382 I383 H408N375-K379 WeakPolarHBondContact O-CB 3.47Å; N375-K379 WeakPolarHBondContact O-CD 3.29Å; N375-K379 VanDerWaalsContact O-CG 3.26Å; N375-K379 WeakPolarHBondContact O-CG 3.45Å; N375-K379 PolarHBondContact O-N 2.97Å; N375-K379 VanDerWaalsContact O-N 3.13Å; R376-K379 WeakPolarHBondContact O-CB 3.23Å; R376-K379 PolarHBondContact O-N 3Å; E377-K379 VanDerWaalsContact C-N 3.31Å; E377-K379 PolarHBondContact O-N 3.44Å; K379-L381 VanDerWaalsContact C-N 3.34Å; K379-D382 PolarHBondContact O-N 2.84Å; K379-I383 WeakPolarHBondContact O-CG1 3.49Å; K379-I383 PolarHBondContact O-N 3.1Å; K379-H408 HydrophobicContact CD-CB 4.32Å; K379-H408 VanDerWaalsContact CD-CD2 3.45Å; K379-H408 WeakPolarHBondContact CD-CD2 3.47Å; K379-H408 VanDerWaalsContact CG-CD2 3.49Å; K379-H408 WeakPolarHBondContact CG-CD2 3.5Å
380L95.9Very high92.3Very high2 Ų256.8 Ų56.81%0.0129%0.29CS..Hα-helixtrans-62.5-42.9173.6-76.9174.5000111.3K242 Q243 C246 I337 V341 R376 E377 K378 I383 A384 L405K242-L380 HydrophobicContact CB-CD1 4.5Å; Q243-L380 HydrophobicContact CB-CD1 4.12Å; Q243-L380 HydrophobicContact CB-CD2 4.46Å; Q243-L380 HydrophobicContact CG-CD2 4.23Å; C246-L380 HydrophobicContact CB-CD2 4.14Å; I337-L380 HydrophobicContact CG2-CB 3.75Å; I337-L380 HydrophobicContact CG2-CD2 4.44Å; I337-L380 WeakPolarHBondContact CG2-O 3.34Å; V341-L380 HydrophobicContact CG2-CB 4.09Å; V341-L380 HydrophobicContact CG2-CD1 4.24Å; R376-L380 PolarHBondContact O-N 3.02Å; R376-L380 VanDerWaalsContact O-N 3.07Å; E377-L380 WeakPolarHBondContact O-CB 3.32Å; E377-L380 PolarHBondContact O-N 2.79Å; E377-L380 VanDerWaalsContact O-N 3.16Å; K378-L380 VanDerWaalsContact C-N 3.32Å; K378-L380 PolarHBondContact O-N 3.21Å; L380-I383 PolarHBondContact O-N 3.35Å; L380-A384 PolarHBondContact O-N 3.05Å; L380-L405 HydrophobicContact CD2-CD2 3.49Å; L380-L405 VanDerWaalsContact CD2-CD2 3.49Å
381L96.1Very high93.2Very high2 Ų255.6 Ų55.61%0.0128%0.28CS..Hα-helixtrans-67.4-33.9178.2-67.8174.8000112.8V341 Y342 I368 I373 E377 K378 K379 I383 A384 Q385V341-L381 HydrophobicContact CB-CD2 4.05Å; V341-L381 HydrophobicContact CB-CG 4.37Å; V341-L381 HydrophobicContact CG1-CD1 3.97Å; V341-L381 HydrophobicContact CG1-CD2 4.19Å; V341-L381 HydrophobicContact CG1-CG 4.1Å; V341-L381 HydrophobicContact CG2-CD2 4.09Å; V341-L381 HydrophobicContact CG2-CG 4.17Å; Y342-L381 HydrophobicContact CD2-CD2 4.4Å; Y342-L381 HydrophobicContact CE2-CD1 3.83Å; Y342-L381 HydrophobicContact CE2-CD2 3.85Å; Y342-L381 WeakPolarHBondContact OH-CD1 3.33Å; I368-L381 HydrophobicContact CD1-CB 4.25Å; I368-L381 HydrophobicContact CD1-CD2 4.41Å; I368-L381 HydrophobicContact CG1-CD1 4.38Å; I368-L381 HydrophobicContact CG1-CD2 4.3Å; I368-L381 HydrophobicContact CG2-CD1 3.99Å; I373-L381 HydrophobicContact CD1-CD1 3.67Å; E377-L381 WeakPolarHBondContact O-CG 3.42Å; E377-L381 PolarHBondContact O-N 2.76Å; K378-L381 CarbonylContact O-C 3.22Å; K378-L381 WeakPolarHBondContact O-CA 3.34Å; K378-L381 WeakPolarHBondContact O-CB 3.49Å; K378-L381 PolarHBondContact O-N 3.45Å; K379-L381 VanDerWaalsContact C-N 3.34Å; L381-I383 VanDerWaalsContact C-N 3.34Å; L381-A384 WeakPolarHBondContact O-CB 3.39Å; L381-A384 PolarHBondContact O-N 2.85Å; L381-Q385 WeakPolarHBondContact O-CG 3.42Å; L381-Q385 PolarHBondContact O-N 3.34Å
382D96.1Very high94.3Very high68 Ų6851.3 Ų51.336%0.36426%0.256SS..Hα-helixtrans-60.4-46.2173.1-62.5-27.3000109.8K378 K379 A384 Q385 E386K378-D382 VanDerWaalsContact O-CG 3.26Å; K378-D382 PolarHBondContact O-N 2.87Å; K379-D382 PolarHBondContact O-N 2.84Å; D382-A384 PolarHBondContact O-N 2.9Å; D382-Q385 WeakPolarHBondContact O-CB 3.48Å; D382-Q385 PolarHBondContact O-N 3.35Å; D382-E386 PolarHBondContact O-N 3.41Å
383I97.5Very high95.2Very high6 Ų649.2 Ų49.23%0.03124%0.244CC..Hα-helixtrans-62.4-42.1173.8-63.1168000111.1I337 K379 L380 L381 Q385 E386 C387 I401 M404 L405I337-I383 HydrophobicContact CD1-CB 4.45Å; I337-I383 HydrophobicContact CD1-CG2 3.99Å; K379-I383 WeakPolarHBondContact O-CG1 3.49Å; K379-I383 PolarHBondContact O-N 3.1Å; L380-I383 PolarHBondContact O-N 3.35Å; L381-I383 VanDerWaalsContact C-N 3.34Å; I383-Q385 VanDerWaalsContact C-N 3.26Å; I383-Q385 PolarHBondContact O-N 3.34Å; I383-E386 PolarHBondContact O-N 2.88Å; I383-C387 WeakPolarHBondContact O-CB 3.47Å; I383-C387 PolarHBondContact O-N 2.9Å; I383-C387 PolarHBondContact O-SG 2.85Å; I383-I401 HydrophobicContact CG2-CG2 4.04Å; I383-M404 HydrophobicContact CD1-CB 3.78Å; I383-M404 HydrophobicContact CG1-CB 4.1Å; I383-M404 HydrophobicContact CG1-SD 4.39Å; I383-L405 HydrophobicContact CD1-CD2 3.57Å; I383-L405 HydrophobicContact CD1-CG 3.96Å
384A97.7Very high95.7Very high0 Ų054 Ų540%026%0.263CS..Hα-helixtrans-60.2-38.7177.400000111.8I337 L380 L381 D382 C387 W388I337-A384 HydrophobicContact CB-CB 3.9Å; I337-A384 HydrophobicContact CD1-CB 4.22Å; I337-A384 HydrophobicContact CG2-CB 3.9Å; L380-A384 PolarHBondContact O-N 3.05Å; L381-A384 WeakPolarHBondContact O-CB 3.39Å; L381-A384 PolarHBondContact O-N 2.85Å; D382-A384 PolarHBondContact O-N 2.9Å; A384-C387 WeakPolarHBondContact O-CB 2.88Å; A384-C387 PolarHBondContact O-N 3.06Å; A384-W388 HydrophobicContact CB-CZ3 4.45Å; A384-W388 PolarHBondContact O-N 2.82Å; A384-W388 VanDerWaalsContact O-N 3.12Å
385Q97.4Very high96Very high94 Ų9451.3 Ų51.344%0.43925%0.246SC..Hα-helixtrans-63.9-42176.9-76.1-178.1-16.900112.8I368 L381 D382 I383 C387 W388I368-Q385 HydrophobicContact CD1-CG 3.55Å; L381-Q385 WeakPolarHBondContact O-CG 3.42Å; L381-Q385 PolarHBondContact O-N 3.34Å; D382-Q385 WeakPolarHBondContact O-CB 3.48Å; D382-Q385 PolarHBondContact O-N 3.35Å; I383-Q385 VanDerWaalsContact C-N 3.26Å; I383-Q385 PolarHBondContact O-N 3.34Å; Q385-C387 VanDerWaalsContact C-N 3.32Å; Q385-W388 HydrophobicContact CG-CZ2 3.98Å
386E98Very high96.4Very high91 Ų9145.6 Ų45.643%0.42522%0.216SC..Hα-helixtrans-65.3-37.5173.1-66-178.3-137.400111.7D382 I383 W388 P396 M404D382-E386 PolarHBondContact O-N 3.41Å; I383-E386 PolarHBondContact O-N 2.88Å; E386-W388 VanDerWaalsContact C-N 3.34Å; E386-W388 PolarHBondContact O-N 2.82Å; E386-P396 HydrophobicContact CB-CG 4.23Å; E386-P396 WeakPolarHBondContact O-CD 3.41Å; E386-M404 VanDerWaalsContact OE2-CE 3.24Å; E386-M404 WeakPolarHBondContact OE2-CE 3.3Å
387C98.5Very high96.7Very high0 Ų046.7 Ų46.70%023%0.227CC..Hα-helixtrans-66.2-32.5-179.2-710000113.4V330 Y331 I383 A384 Q385 R395 I401V330-C387 HydrophobicContact CG1-CB 3.93Å; V330-C387 WeakPolarHBondContact O-CB 3.36Å; Y331-C387 VanDerWaalsContact CA-O 3.3Å; Y331-C387 WeakPolarHBondContact CA-O 3.46Å; I383-C387 WeakPolarHBondContact O-CB 3.47Å; I383-C387 PolarHBondContact O-N 2.9Å; I383-C387 PolarHBondContact O-SG 2.85Å; A384-C387 WeakPolarHBondContact O-CB 2.88Å; A384-C387 PolarHBondContact O-N 3.06Å; Q385-C387 VanDerWaalsContact C-N 3.32Å; C387-R395 WeakPolarHBondContact O-CD 3.34Å; C387-R395 WeakPolarHBondContact O-CG 2.9Å; C387-I401 VanDerWaalsContact SG-CD1 3.58Å
388W97.1Very high97Very high15 Ų1546 Ų466%0.05722%0.224CC..THydrogen-bonded Turntrans-10422.3-177.266.830.5000114.5Y331 I335 W338 R365 P366 I368 A384 Q385 E386 E390Y331-W388 HydrophobicContact CD2-CB 3.73Å; Y331-W388 HydrophobicContact CE2-CB 3.63Å; Y331-W388 HydrophobicContact CG-CB 4.37Å; I335-W388 HydrophobicContact CD1-CE3 3.67Å; I335-W388 HydrophobicContact CD1-CZ3 4.1Å; I335-W388 HydrophobicContact CG1-CE3 4.48Å; W338-W388 HydrophobicContact CB-CH2 4.01Å; W338-W388 HydrophobicContact CB-CZ3 3.68Å; W338-W388 AromaticContact CD1-CH2 3.64Å; W338-W388 HydrophobicContact CG-CH2 4.02Å; W338-W388 HydrophobicContact CG-CZ3 4.07Å; R365-W388 HydrophobicContact CG-CG 4.49Å; R365-W388 PolarHBondContact NE-O 3.31Å; R365-W388 PolarHBondContact NH2-O 2.79Å; P366-W388 HydrophobicContact CB-CH2 3.8Å; P366-W388 HydrophobicContact CB-CZ3 3.9Å; P366-W388 HydrophobicContact CG-CE3 4.13Å; P366-W388 HydrophobicContact CG-CH2 3.87Å; P366-W388 HydrophobicContact CG-CZ3 3.49Å; P366-W388 VanDerWaalsContact CG-CZ3 3.49Å; I368-W388 HydrophobicContact CD1-CH2 4.13Å; I368-W388 HydrophobicContact CD1-CZ2 3.77Å; A384-W388 HydrophobicContact CB-CZ3 4.45Å; A384-W388 PolarHBondContact O-N 2.82Å; A384-W388 VanDerWaalsContact O-N 3.12Å; Q385-W388 HydrophobicContact CG-CZ2 3.98Å; E386-W388 VanDerWaalsContact C-N 3.34Å; E386-W388 PolarHBondContact O-N 2.82Å; W388-E390 PolarHBondContact O-N 3.41Å
389D97.9Very high97.1Very high54 Ų5445.7 Ų45.729%0.28923%0.227SC..  trans-51.3143.1173.9-162.3-62.2000110.5D391 K394 R395D389-D391 PolarHBondContact O-N 2.53Å; D389-D391 PolarHBondContact OD1-N 2.86Å; D389-K394 HydrophobicContact CB-CB 4.23Å; D389-R395 HydrophobicContact CB-CG 4.07Å; D389-R395 PolarHBondContact O-NE 3.19Å; D389-R395 PolarHBondContact O-NH2 2.9Å; D389-R395 VanDerWaalsContact O-NH2 3.09Å
390E96Very high97.4Very high38 Ų3847.4 Ų47.418%0.17824%0.236CC..SBendtrans-60-39.3176.7-177.661-153.500111.2P316 R320 Q363 R365 W388 A392 R395P316-E390 WeakPolarHBondContact CB-OE1 3.41Å; P316-E390 WeakPolarHBondContact CG-OE2 3.46Å; R320-E390 IonicContact CZ-OE1 3.32Å; R320-E390 VanDerWaalsContact CZ-OE1 3.32Å; R320-E390 IonicContact NH1-OE1 2.97Å; R320-E390 PolarHBondContact NH1-OE1 2.85Å; R320-E390 IonicContact NH2-OE1 2.7Å; R320-E390 PolarHBondContact NH2-OE1 2.95Å; Q363-E390 HydrophobicContact CG-CG 4.26Å; R365-E390 IonicContact CZ-OE2 2.68Å; R365-E390 IonicContact NH1-OE2 2.73Å; R365-E390 VanDerWaalsContact NH2-CA 3.31Å; R365-E390 IonicContact NH2-OE2 3.52Å; R365-E390 PolarHBondContact NH2-OE2 3.38Å; W388-E390 PolarHBondContact O-N 3.41Å; E390-A392 PolarHBondContact O-N 3.41Å; E390-R395 PolarHBondContact O-NH2 3.35Å
391D96.5Very high97.5Very high70 Ų7047.3 Ų47.337%0.37424%0.235SC..SBendtrans-82.4112.1175.1-173.5-6.9000110.1D389 E393 K394D389-D391 PolarHBondContact O-N 2.53Å; D389-D391 PolarHBondContact OD1-N 2.86Å; D391-E393 PolarHBondContact O-N 2.98Å; D391-E393 VanDerWaalsContact O-N 3.17Å; D391-E393 PolarHBondContact OD1-N 3.26Å; D391-E393 VanDerWaalsContact OD1-N 3.09Å; D391-K394 HydrophobicContact CB-CB 4.37Å; D391-K394 HydrophobicContact CB-CD 3.94Å; D391-K394 HydrophobicContact CB-CG 3.97Å; D391-K394 PolarHBondContact O-N 3.04Å; D391-K394 VanDerWaalsContact O-N 3.1Å; D391-K394 WeakPolarHBondContact OD2-CE 3.41Å
392A97.3Very high97.5Very high17 Ų1747.7 Ų47.714%0.1424%0.238CC..G310 helixtrans-57.1-30.9-179.700000112.9K327 E390 K394 R395K327-A392 HydrophobicContact CB-CB 3.96Å; K327-A392 WeakPolarHBondContact CD-O 3.34Å; K327-A392 WeakPolarHBondContact CE-O 3.5Å; K327-A392 HydrophobicContact CG-CB 4.31Å; K327-A392 VanDerWaalsContact CG-O 3.26Å; K327-A392 WeakPolarHBondContact CG-O 3.43Å; E390-A392 PolarHBondContact O-N 3.41Å; A392-K394 VanDerWaalsContact C-N 3.32Å; A392-K394 PolarHBondContact O-N 3.28Å; A392-R395 PolarHBondContact O-N 3.18Å
393E96.5Very high97.5Very high144 Ų14447.6 Ų47.667%0.67324%0.243SC*.G310 helixtrans-72.3-26.3-178.7-64.7-54.5132.800112.8D391D391-E393 PolarHBondContact O-N 2.98Å; D391-E393 VanDerWaalsContact O-N 3.17Å; D391-E393 PolarHBondContact OD1-N 3.26Å; D391-E393 VanDerWaalsContact OD1-N 3.09Å
394K97.9Very high97.4Very high135 Ų13549.5 Ų49.559%0.58725%0.252SS*.G310 helixtrans-78.5-21.1177.8-66.6-176.5-170.1168.10113.6D389 D391 A392D389-K394 HydrophobicContact CB-CB 4.23Å; D391-K394 HydrophobicContact CB-CB 4.37Å; D391-K394 HydrophobicContact CB-CD 3.94Å; D391-K394 HydrophobicContact CB-CG 3.97Å; D391-K394 PolarHBondContact O-N 3.04Å; D391-K394 VanDerWaalsContact O-N 3.1Å; D391-K394 WeakPolarHBondContact OD2-CE 3.41Å; A392-K394 VanDerWaalsContact C-N 3.32Å; A392-K394 PolarHBondContact O-N 3.28Å
395R98.3Very high97.2Very high2 Ų249.6 Ų49.61%0.00825%0.252CS..SBendtrans-64.3139.8-179.8-57.1172.8-168.2151.314.4109.5E317 K327 V330 C387 D389 E390 A392E317-R395 IonicContact OE1-CZ 3.88Å; E317-R395 IonicContact OE1-NH1 2.84Å; E317-R395 PolarHBondContact OE1-NH1 3.44Å; E317-R395 IonicContact OE1-NH2 2.8Å; E317-R395 IonicContact OE2-CZ 3.18Å; E317-R395 IonicContact OE2-NH1 2.81Å; E317-R395 PolarHBondContact OE2-NH1 2.9Å; E317-R395 IonicContact OE2-NH2 2.98Å; E317-R395 PolarHBondContact OE2-NH2 2.74Å; K327-R395 HydrophobicContact CD-CB 4.31Å; K327-R395 PolarHBondContact NZ-O 2.88Å; K327-R395 PolarHBondContact O-NH1 3.47Å; V330-R395 HydrophobicContact CG1-CB 3.88Å; C387-R395 WeakPolarHBondContact O-CD 3.34Å; C387-R395 WeakPolarHBondContact O-CG 2.9Å; D389-R395 HydrophobicContact CB-CG 4.07Å; D389-R395 PolarHBondContact O-NE 3.19Å; D389-R395 PolarHBondContact O-NH2 2.9Å; D389-R395 VanDerWaalsContact O-NH2 3.09Å; E390-R395 PolarHBondContact O-NH2 3.35Å; A392-R395 PolarHBondContact O-N 3.18Å
396P98.4Very high96.8Very high6 Ų649.8 Ų49.84%0.03925%0.253CS..PPolyproline II helixtrans-68161.217927.5-34.2000112.1V330 E386 Q400 I401 M404V330-P396 WeakPolarHBondContact CG1-O 3.44Å; V330-P396 WeakPolarHBondContact CG2-O 3.43Å; E386-P396 HydrophobicContact CB-CG 4.23Å; E386-P396 WeakPolarHBondContact O-CD 3.41Å; P396-Q400 VanDerWaalsContact CA-OE1 3.26Å; P396-Q400 HydrophobicContact CB-CB 4.02Å; P396-I401 HydrophobicContact CB-CG1 3.95Å; P396-I401 HydrophobicContact CG-CD1 4.04Å; P396-I401 HydrophobicContact CG-CG1 3.65Å; P396-M404 HydrophobicContact CB-CE 4.2Å
397T98.2Very high95.8Very high61 Ų6148.7 Ų48.737%0.37426%0.256SS..PPolyproline II helixtrans-80.5159.1167.265.30000110.5N399 Q400 I401T397-N399 PolarHBondContact O-N 2.67Å; T397-Q400 WeakPolarHBondContact O-CB 3.43Å; T397-Q400 PolarHBondContact O-N 2.85Å; T397-Q400 WeakPolarHBondContact OG1-CG 3.01Å; T397-Q400 PolarHBondContact OG1-N 3.45Å; T397-Q400 PolarHBondContact OG1-OE1 3.43Å; T397-I401 VanDerWaalsContact O-CG1 3.32Å; T397-I401 WeakPolarHBondContact O-CG1 3.4Å; T397-I401 PolarHBondContact O-N 2.82Å
398F98.3Very high94.1Very high1 Ų151.3 Ų51.30%0.00427%0.268CS..Hα-helixtrans-61.1-30.6176.2-78.8-67.4000113.3A250 L253 D254 H257 D329 V330 F333 I401 C402A250-F398 HydrophobicContact CB-CD1 4.12Å; L253-F398 HydrophobicContact CB-CD1 3.88Å; L253-F398 HydrophobicContact CB-CD2 3.57Å; L253-F398 HydrophobicContact CB-CE1 3.79Å; L253-F398 HydrophobicContact CB-CE2 3.48Å; L253-F398 VanDerWaalsContact CB-CE2 3.48Å; L253-F398 HydrophobicContact CB-CG 3.8Å; L253-F398 HydrophobicContact CB-CZ 3.61Å; L253-F398 HydrophobicContact CD1-CD1 4.42Å; L253-F398 HydrophobicContact CD1-CE1 3.55Å; L253-F398 HydrophobicContact CD1-CE2 3.99Å; L253-F398 HydrophobicContact CD1-CZ 3.3Å; L253-F398 HydrophobicContact CG-CE1 4.29Å; L253-F398 HydrophobicContact CG-CE2 4.2Å; L253-F398 HydrophobicContact CG-CZ 3.99Å; D254-F398 HydrophobicContact CB-CB 3.66Å; H257-F398 AromaticContact CE1-CD2 3.43Å; H257-F398 VanDerWaalsContact CE1-CD2 3.43Å; H257-F398 WeakPolarHBondContact CE1-CD2 3.45Å; H257-F398 AromaticContact CE1-CE2 3.38Å; H257-F398 WeakPolarHBondContact CE1-CE2 3.42Å; H257-F398 AromaticContact ND1-CD2 3.48Å; H257-F398 WeakPolarHBondContact ND1-CD2 3.39Å; H257-F398 AromaticContact ND1-CE2 3.94Å; H257-F398 AromaticContact NE2-CE2 3.98Å; D329-F398 HydrophobicContact CB-CE2 3.95Å; D329-F398 HydrophobicContact CB-CZ 4.33Å; V330-F398 HydrophobicContact CG2-CD2 4.12Å; V330-F398 HydrophobicContact CG2-CE2 3.72Å; V330-F398 HydrophobicContact CG2-CZ 4.04Å; F333-F398 HydrophobicContact CB-CE1 3.83Å; F333-F398 HydrophobicContact CB-CZ 3.83Å; F333-F398 AromaticContact CD1-CE1 3.73Å; F333-F398 HydrophobicContact CD1-CE1 3.73Å; F333-F398 HydrophobicContact CD2-CE1 4.17Å; F333-F398 HydrophobicContact CE1-CE1 4.3Å; F333-F398 AromaticContact CG-CE1 3.64Å; F333-F398 HydrophobicContact CG-CE1 3.64Å; F333-F398 HydrophobicContact CG-CZ 4.17Å; F398-I401 HydrophobicContact CD1-CD1 3.78Å; F398-I401 HydrophobicContact CE1-CD1 3.96Å; F398-I401 HydrophobicContact CG-CD1 4.44Å; F398-I401 PolarHBondContact O-N 2.82Å; F398-C402 WeakPolarHBondContact O-CB 3.41Å; F398-C402 PolarHBondContact O-N 2.84Å; F398-C402 PolarHBondContact O-SG 3.15Å
399N97.1Very high92.2Very high93 Ų9353.1 Ų53.150%0.49728%0.283SS..Hα-helixtrans-57.9-47.5169.5-173.9-98.5000112.4D254 T397 C402 S403D254-N399 PolarHBondContact OD1-N 2.68Å; T397-N399 PolarHBondContact O-N 2.67Å; N399-C402 WeakPolarHBondContact O-CB 3.13Å; N399-C402 PolarHBondContact O-N 3.25Å; N399-S403 PolarHBondContact O-N 3.33Å; N399-S403 VanDerWaalsContact O-N 3.15Å; N399-S403 PolarHBondContact O-OG 2.78Å
400Q97.9Very high89.9Confident96 Ų9655.6 Ų55.645%0.44930%0.3SS..Hα-helixtrans-64.2-44.9176.5-70169.6-35.500111.5P396 T397 C402 S403 M404P396-Q400 VanDerWaalsContact CA-OE1 3.26Å; P396-Q400 HydrophobicContact CB-CB 4.02Å; T397-Q400 WeakPolarHBondContact O-CB 3.43Å; T397-Q400 PolarHBondContact O-N 2.85Å; T397-Q400 WeakPolarHBondContact OG1-CG 3.01Å; T397-Q400 PolarHBondContact OG1-N 3.45Å; T397-Q400 PolarHBondContact OG1-OE1 3.43Å; Q400-C402 VanDerWaalsContact C-N 3.31Å; Q400-C402 PolarHBondContact O-N 3.04Å; Q400-S403 WeakPolarHBondContact O-CB 3.33Å; Q400-S403 PolarHBondContact O-N 3.32Å; Q400-S403 VanDerWaalsContact O-N 3.11Å; Q400-M404 VanDerWaalsContact O-CG 3.31Å; Q400-M404 WeakPolarHBondContact O-CG 3.34Å; Q400-M404 PolarHBondContact O-N 2.87Å
401I98.2Very high87.5Confident0 Ų056.8 Ų56.80%032%0.317CS..Hα-helixtrans-58.6-43.7176.4-63.2169000110.4A250 V330 F333 I383 C387 P396 T397 F398 S403 M404 L405A250-I401 HydrophobicContact CB-CG2 4.03Å; V330-I401 HydrophobicContact CG1-CD1 4.03Å; F333-I401 HydrophobicContact CD1-CD1 4.19Å; F333-I401 HydrophobicContact CD1-CG2 4.35Å; F333-I401 HydrophobicContact CE1-CD1 4.42Å; F333-I401 HydrophobicContact CE1-CG2 3.56Å; F333-I401 HydrophobicContact CZ-CG2 4.33Å; I383-I401 HydrophobicContact CG2-CG2 4.04Å; C387-I401 VanDerWaalsContact SG-CD1 3.58Å; P396-I401 HydrophobicContact CB-CG1 3.95Å; P396-I401 HydrophobicContact CG-CD1 4.04Å; P396-I401 HydrophobicContact CG-CG1 3.65Å; T397-I401 VanDerWaalsContact O-CG1 3.32Å; T397-I401 WeakPolarHBondContact O-CG1 3.4Å; T397-I401 PolarHBondContact O-N 2.82Å; F398-I401 HydrophobicContact CD1-CD1 3.78Å; F398-I401 HydrophobicContact CE1-CD1 3.96Å; F398-I401 HydrophobicContact CG-CD1 4.44Å; F398-I401 PolarHBondContact O-N 2.82Å; I401-S403 VanDerWaalsContact C-N 3.31Å; I401-S403 PolarHBondContact O-N 3.49Å; I401-M404 WeakPolarHBondContact O-CB 3.1Å; I401-M404 PolarHBondContact O-N 2.97Å; I401-L405 HydrophobicContact CG2-CD1 3.87Å; I401-L405 HydrophobicContact CG2-CG 4.37Å; I401-L405 WeakPolarHBondContact O-CG 3.4Å; I401-L405 PolarHBondContact O-N 3.48Å
402C96.8Very high85.1Confident11 Ų1157.8 Ų57.87%0.07432%0.322CS..Hα-helixtrans-59.1-41.1176.2-76.80000112F398 N399 Q400 L405 Q406F398-C402 WeakPolarHBondContact O-CB 3.41Å; F398-C402 PolarHBondContact O-N 2.84Å; F398-C402 PolarHBondContact O-SG 3.15Å; N399-C402 WeakPolarHBondContact O-CB 3.13Å; N399-C402 PolarHBondContact O-N 3.25Å; Q400-C402 VanDerWaalsContact C-N 3.31Å; Q400-C402 PolarHBondContact O-N 3.04Å; C402-L405 PolarHBondContact O-N 3.08Å; C402-Q406 WeakPolarHBondContact O-CB 3.32Å; C402-Q406 VanDerWaalsContact O-CG 3.28Å; C402-Q406 WeakPolarHBondContact O-CG 3.48Å; C402-Q406 PolarHBondContact O-N 3.36Å
403S96Very high82Confident65 Ų6565.1 Ų65.146%0.45535%0.353SS..Hα-helixtrans-66.6-40.9174.4-60.90000112.8N399 Q400 I401 Q406 S407N399-S403 PolarHBondContact O-N 3.33Å; N399-S403 VanDerWaalsContact O-N 3.15Å; N399-S403 PolarHBondContact O-OG 2.78Å; Q400-S403 WeakPolarHBondContact O-CB 3.33Å; Q400-S403 PolarHBondContact O-N 3.32Å; Q400-S403 VanDerWaalsContact O-N 3.11Å; I401-S403 VanDerWaalsContact C-N 3.31Å; I401-S403 PolarHBondContact O-N 3.49Å; S403-Q406 PolarHBondContact O-N 3.2Å; S403-S407 PolarHBondContact O-N 3.3Å; S403-S407 VanDerWaalsContact O-N 3.09Å; S403-S407 PolarHBondContact O-OG 2.94Å
404M96.1Very high78.8Confident47 Ų4763.8 Ų63.823%0.23236%0.357CS..Hα-helixtrans-59.8-46.6174.1-66.1163.3174.200110.4I383 E386 P396 Q400 I401 Q406 S407 H408I383-M404 HydrophobicContact CD1-CB 3.78Å; I383-M404 HydrophobicContact CG1-CB 4.1Å; I383-M404 HydrophobicContact CG1-SD 4.39Å; E386-M404 VanDerWaalsContact OE2-CE 3.24Å; E386-M404 WeakPolarHBondContact OE2-CE 3.3Å; P396-M404 HydrophobicContact CB-CE 4.2Å; Q400-M404 VanDerWaalsContact O-CG 3.31Å; Q400-M404 WeakPolarHBondContact O-CG 3.34Å; Q400-M404 PolarHBondContact O-N 2.87Å; I401-M404 WeakPolarHBondContact O-CB 3.1Å; I401-M404 PolarHBondContact O-N 2.97Å; M404-Q406 VanDerWaalsContact C-N 3.34Å; M404-Q406 PolarHBondContact O-N 3.31Å; M404-S407 PolarHBondContact O-OG 2.86Å; M404-H408 PolarHBondContact O-CE1 3.22Å; M404-H408 VanDerWaalsContact O-CG 3.25Å; M404-H408 PolarHBondContact O-ND1 3.29Å
405L93.9Very high75.6Confident1 Ų162.3 Ų62.31%0.00537%0.37CS..Hα-helixtrans-67.5-30.8-180-69.5170.8000113.5Q243 K247 A250 F333 L380 I383 I401 C402 S409Q243-L405 PolarHBondContact NE2-O 2.81Å; K247-L405 HydrophobicContact CB-CB 4.34Å; K247-L405 HydrophobicContact CB-CD1 4.19Å; K247-L405 HydrophobicContact CG-CB 4.43Å; A250-L405 HydrophobicContact CB-CD1 4Å; F333-L405 HydrophobicContact CZ-CD1 4.49Å; L380-L405 HydrophobicContact CD2-CD2 3.49Å; L380-L405 VanDerWaalsContact CD2-CD2 3.49Å; I383-L405 HydrophobicContact CD1-CD2 3.57Å; I383-L405 HydrophobicContact CD1-CG 3.96Å; I401-L405 HydrophobicContact CG2-CD1 3.87Å; I401-L405 HydrophobicContact CG2-CG 4.37Å; I401-L405 WeakPolarHBondContact O-CG 3.4Å; I401-L405 PolarHBondContact O-N 3.48Å; C402-L405 PolarHBondContact O-N 3.08Å; L405-S409 PolarHBondContact O-OG 2.85Å
406Q88Confident72.6Confident98 Ų9875.5 Ų75.546%0.45843%0.428SS..Hα-helixtrans-75.6-46.8179.1-78.6170.919.800113.6C402 S403 M404 H408 S409C402-Q406 WeakPolarHBondContact O-CB 3.32Å; C402-Q406 VanDerWaalsContact O-CG 3.28Å; C402-Q406 WeakPolarHBondContact O-CG 3.48Å; C402-Q406 PolarHBondContact O-N 3.36Å; S403-Q406 PolarHBondContact O-N 3.2Å; M404-Q406 VanDerWaalsContact C-N 3.34Å; M404-Q406 PolarHBondContact O-N 3.31Å; Q406-H408 PolarHBondContact O-N 3.44Å; Q406-S409 PolarHBondContact O-N 3.1Å; Q406-S409 VanDerWaalsContact O-N 3.08Å
407S76.3Confident71.3Confident68 Ų6879 Ų7948%0.47645%0.447SS..Hα-helixtrans-58.5-18.5179510000112.7S403 M404 T410S403-S407 PolarHBondContact O-N 3.3Å; S403-S407 VanDerWaalsContact O-N 3.09Å; S403-S407 PolarHBondContact O-OG 2.94Å; M404-S407 PolarHBondContact O-OG 2.86Å; S407-T410 PolarHBondContact O-OG1 3.25Å
408H63.1Low69.9Low55 Ų5579.9 Ų79.926%0.25545%0.451SS..THydrogen-bonded Turntrans-97.3-6.9-175.6-66.845.3000113.5K379 M404 Q406K379-H408 HydrophobicContact CD-CB 4.32Å; K379-H408 VanDerWaalsContact CD-CD2 3.45Å; K379-H408 WeakPolarHBondContact CD-CD2 3.47Å; K379-H408 VanDerWaalsContact CG-CD2 3.49Å; K379-H408 WeakPolarHBondContact CG-CD2 3.5Å; M404-H408 PolarHBondContact O-CE1 3.22Å; M404-H408 VanDerWaalsContact O-CG 3.25Å; M404-H408 PolarHBondContact O-ND1 3.29Å; Q406-H408 PolarHBondContact O-N 3.44Å
409S58.5Low68.3Low54 Ų5484.3 Ų84.338%0.37848%0.476SS..THydrogen-bonded Turntrans-80.2-24.8175.6-60.30000113.3L405 Q406L405-S409 PolarHBondContact O-OG 2.85Å; Q406-S409 PolarHBondContact O-N 3.1Å; Q406-S409 VanDerWaalsContact O-N 3.08Å
410T48.4Very low66.6Low105 Ų10583.8 Ų83.864%0.64447%0.474SS*.SBendtrans-87.7-16-172.748.50000114.7S407 D412S407-T410 PolarHBondContact O-OG1 3.25Å; T410-D412 PolarHBondContact O-N 3.13Å
411A45.4Very low64.7Low64 Ų6483.1 Ų83.153%0.52948%0.476SS..THydrogen-bonded Turntrans-76.3-0.9-169.900000115.9
412D46.9Very low62.5Low91 Ų9188.6 Ų88.649%0.48751%0.508SS..THydrogen-bonded Turntrans-120.210.3-172.8-97.86.6000113.3R376 T410R376-D412 IonicContact CZ-OD2 3.84Å; R376-D412 IonicContact NE-OD2 2.75Å; R376-D412 PolarHBondContact NE-OD2 3.39Å; R376-D412 IonicContact NH2-OD2 3.75Å; R376-D412 PolarHBondContact NH2-OD2 2.87Å; T410-D412 PolarHBondContact O-N 3.13Å
413Q30.8Very low60Low170 Ų17094.1 Ų94.179%0.79454%0.539SS*.SBendtrans-73.9125.2165.7-73.1-167.4-0.500108.5A415Q413-A415 PolarHBondContact O-N 3.26Å
414P29.7Very low57.2Low116 Ų11696.4 Ų96.475%0.75355%0.545SS*.PPolyproline II helixtrans-58.5132.5172.124.4-30.9000108.2K416P414-K416 PolarHBondContact O-N 3.3Å; P414-K416 VanDerWaalsContact O-N 3.11Å
415A31.2Very low54Low104 Ų104100.5 Ų100.586%0.8657%0.571SS**PPolyproline II helixtrans-52.312217100000108.2Q413Q413-A415 PolarHBondContact O-N 3.26Å
416K35.7Very low50.4Low280 Ų280109.5 Ų109.5100%1.21762%0.623SS**  trans-620176.9-100-174.3176.2-179.20111.9P414P414-K416 PolarHBondContact O-N 3.3Å; P414-K416 VanDerWaalsContact O-N 3.11Å

Retrieved 416 of 416 residues in 278.6 ms (Link to these results)