A0A087WWJ0_HUMAN Loading...

Calcium voltage-gated channel auxiliary subunit beta 2

AlphaFold DB , UniProt , Accession A0A087WWJ0, Species HUMAN (Homo sapiens, Human), Gene CACNB2, Length 355 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
1M39.8Very low41.6Very low250 Ų250174.5 Ų174.5100%1.23287%0.865SS**  0152.90-72.6162.4170.500108.3
2Q41.6Very low41.5Very low183 Ų183171 Ų17186%0.85586%0.86SS**  trans-91.3-176.3179.1-76169.9-64.300111.9
3C37.1Very low41.2Very low124 Ų124176 Ų17684%0.83886%0.862SS**  trans100.3139.7167.2-58.30000116.7
4C42.3Very low41.5Very low130 Ų130173.3 Ų173.388%0.87886%0.86SS**  cis175.3156.5-48.1-98.30000109.3
5G36.8Very low41.6Very low65 Ų65169.5 Ų169.567%0.6786%0.857SS**  trans108.795170.100000114.1
6L45.1Very low41.7Very low153 Ų153172.9 Ų172.980%0.80186%0.859SS**  63.7105.682-80.681.9000114.1
7V46.4Very low41.9Very low114 Ų114167.2 Ų167.269%0.69186%0.855SS**  79.6123.977.6169.90000111.6
8H37.4Very low41.8Very low181 Ų181163.9 Ų163.984%0.83885%0.849SS**  -157.8154.995-89.684.3000115.2
9R45.2Very low42.1Very low229 Ų229160.6 Ų160.686%0.86485%0.848SS**  trans-91.5158.5175.8-74.5169.8153.8171.1-6.6113.1
10R41.3Very low42.4Very low255 Ų255159.1 Ų159.196%0.96284%0.841SS**  trans-134.5162.6136.4-72.6-163.3178.8-177.51.9110.8
11R44.7Very low43.3Very low236 Ų236156.9 Ų156.989%0.89184%0.838SS**  trans-149.5116.2-161.5175.7-167.1-174.8-171.63.5111.6
12V39.9Very low43.7Very low132 Ų132155.7 Ų155.780%0.882%0.821SS**  trans-155.8138.9175.1178.20000106.5
13R38.3Very low44Very low236 Ų236153 Ų15389%0.89182%0.818SS**  cis-150.2159.4-23.3-111179.1-171.2-175.63.3105.6
14V45.7Very low44.9Very low138 Ų138152.4 Ų152.484%0.83682%0.815SS**  trans-85.1141.9164.2176.90000108.5
15S42.1Very low45.6Very low116 Ų116156.4 Ų156.481%0.81181%0.812SS**  trans-131.7148.5163.4-166.60000109.3
16Y43.6Very low46.4Very low224 Ų224157.8 Ų157.888%0.87881%0.809SS**  trans-79.5148.6-179.4-99.4-124.4000112.1
17G45.1Very low46.8Very low77 Ų77153.8 Ų153.879%0.79479%0.794SS**  trans65.8108.8138.600000119.8
18S40.7Very low47.4Very low107 Ų107154.8 Ų154.875%0.74880%0.795SS**  -137.9136.4124.8-147.10000107.6D20S18-D20 WeakPolarHBondContact CB-OD2 3.21Å; S18-D20 PolarHBondContact OG-OD2 3.27Å
19A47.3Very low48.3Very low101 Ų101150 Ų15084%0.83578%0.782SS**  trans-110.541.7-163.500000112.6S21A19-S21 VanDerWaalsContact C-N 3.35Å; A19-S21 PolarHBondContact O-N 2.55Å
20D47.1Very low48.9Very low131 Ų131144.1 Ų144.170%0.70177%0.768SS**  trans-97.541.7-165.7-51.8-75.6000113.3S18S18-D20 WeakPolarHBondContact CB-OD2 3.21Å; S18-D20 PolarHBondContact OG-OD2 3.27Å
21S62Low49.8Very low113 Ų113135.1 Ų135.179%0.7974%0.741SS**  trans-126.247.3-173.4-65.80000113.6A19A19-S21 VanDerWaalsContact C-N 3.35Å; A19-S21 PolarHBondContact O-N 2.55Å
22Y47.1Very low50.7Low224 Ų224126.8 Ų126.888%0.87872%0.719SS**  trans-152.866.1159.8-136.5-89.4000115.3
23T49.3Very low51.9Low126 Ų126125.2 Ų125.277%0.77371%0.706SS**  trans-148.573.4152.2-178.90000109.9R25T23-R25 PolarHBondContact O-N 3.22Å
24S54.7Low53.2Low112 Ų112117.7 Ų117.778%0.78368%0.681SS**  trans-63.1102161.4-62.30000107.2P26S24-P26 VanDerWaalsContact O-N 3.15Å
25R57.4Low54.4Low214 Ų214117.9 Ų117.981%0.80867%0.672SS**PPolyproline II helixtrans-51.7122.4168.4-72.6175.262.9178.4-1.1107.1T23 S27T23-R25 PolarHBondContact O-N 3.22Å; R25-S27 PolarHBondContact O-N 2.78Å
26P54.8Low56.2Low95 Ų95117.2 Ų117.262%0.61766%0.66SS**PPolyproline II helixtrans-60.4131.8175.627.1-33.9000107.5S24 V31S24-P26 VanDerWaalsContact O-N 3.15Å; P26-V31 HydrophobicContact CB-CG1 3.93Å; P26-V31 HydrophobicContact CG-CG1 4.09Å
27S53.6Low58Low69 Ų69113.7 Ų113.748%0.48365%0.645SS.*PPolyproline II helixtrans-63.7141.1-179.5-62.30000109.4R25 S29 D30 V31R25-S27 PolarHBondContact O-N 2.78Å; S27-S29 PolarHBondContact O-N 2.97Å; S27-D30 PolarHBondContact O-N 3.09Å; S27-V31 PolarHBondContact O-N 2.89Å
28D57.5Low59.8Low135 Ų135115 Ų11572%0.72263%0.63SS**Hα-helixtrans-51-28.2175.2-81.4-93.8000113.1V31 S32D28-V31 VanDerWaalsContact O-CG2 3.3Å; D28-V31 WeakPolarHBondContact O-CG2 3.33Å; D28-S32 WeakPolarHBondContact O-CB 3.29Å; D28-S32 PolarHBondContact O-N 3.42Å
29S56.8Low61.9Low81 Ų81112.6 Ų112.657%0.56662%0.617SS**Hα-helixtrans-75.1-24.4175.358.90000115.5S27 L33S27-S29 PolarHBondContact O-N 2.97Å; S29-L33 WeakPolarHBondContact O-CG 3.48Å
30D58.6Low63.8Low104 Ų104112.8 Ų112.856%0.55661%0.607SS**Hα-helixtrans-81.8-46.7177.4-113.3-33.6000110S27 S32 L33 E34S27-D30 PolarHBondContact O-N 3.09Å; D30-S32 VanDerWaalsContact C-N 3.31Å; D30-S32 PolarHBondContact O-N 3Å; D30-L33 PolarHBondContact O-N 3.05Å; D30-L33 VanDerWaalsContact O-N 3.09Å; D30-E34 PolarHBondContact O-N 2.64Å; D30-E34 VanDerWaalsContact O-N 3.11Å
31V59.1Low65.6Low66 Ų66113 Ų11340%0.460%0.598SS.*Hα-helixtrans-60.5-41.4176.9-59.60000111.2P26 S27 D28 L33 E34 E35P26-V31 HydrophobicContact CB-CG1 3.93Å; P26-V31 HydrophobicContact CG-CG1 4.09Å; S27-V31 PolarHBondContact O-N 2.89Å; D28-V31 VanDerWaalsContact O-CG2 3.3Å; D28-V31 WeakPolarHBondContact O-CG2 3.33Å; V31-L33 VanDerWaalsContact C-N 3.26Å; V31-L33 PolarHBondContact O-N 2.92Å; V31-E34 PolarHBondContact O-N 2.82Å; V31-E35 VanDerWaalsContact O-CB 3.26Å; V31-E35 WeakPolarHBondContact O-CB 3.26Å; V31-E35 PolarHBondContact O-N 3.32Å
32S64.1Low66.8Low62 Ų62115.5 Ų115.543%0.43459%0.591SS.*Hα-helixtrans-62-29.1176.2175.10000113.8D28 D30 D36D28-S32 WeakPolarHBondContact O-CB 3.29Å; D28-S32 PolarHBondContact O-N 3.42Å; D30-S32 VanDerWaalsContact C-N 3.31Å; D30-S32 PolarHBondContact O-N 3Å; S32-D36 PolarHBondContact O-N 2.65Å; S32-D36 VanDerWaalsContact O-N 3.1Å
33L64.8Low68.7Low98 Ų98108.3 Ų108.351%0.51357%0.565SS.*Hα-helixtrans-85-29.4179.3-71.8174.7000112.8S29 D30 V31 R37S29-L33 WeakPolarHBondContact O-CG 3.48Å; D30-L33 PolarHBondContact O-N 3.05Å; D30-L33 VanDerWaalsContact O-N 3.09Å; V31-L33 VanDerWaalsContact C-N 3.26Å; V31-L33 PolarHBondContact O-N 2.92Å; L33-R37 WeakPolarHBondContact O-CD 3.46Å; L33-R37 VanDerWaalsContact O-CG 3.24Å; L33-R37 WeakPolarHBondContact O-CG 3.35Å; L33-R37 PolarHBondContact O-N 3.11Å
34E65.6Low70.5Confident79 Ų79105 Ų10537%0.36955%0.55SS..Hα-helixtrans-73.9-35.4166-83.1-56.8124.600112.1D30 V31 R37 E38 R41D30-E34 PolarHBondContact O-N 2.64Å; D30-E34 VanDerWaalsContact O-N 3.11Å; V31-E34 PolarHBondContact O-N 2.82Å; E34-R37 CarbonylContact O-C 3.58Å; E34-R37 WeakPolarHBondContact O-CB 3.45Å; E34-R37 PolarHBondContact O-N 2.83Å; E34-R37 VanDerWaalsContact O-N 3.17Å; E34-R37 WeakPolarHBondContact OE1-CD 3.42Å; E34-R37 IonicContact OE1-CZ 3.27Å; E34-R37 IonicContact OE1-NE 3.57Å; E34-R37 IonicContact OE1-NH1 3.23Å; E34-R37 PolarHBondContact OE1-NH1 2.93Å; E34-E38 WeakPolarHBondContact O-CB 3.48Å; E34-E38 PolarHBondContact O-N 3.29Å; E34-R41 IonicContact OE2-NH1 4Å; E34-R41 IonicContact OE2-NH2 3.37Å; E34-R41 PolarHBondContact OE2-NH2 3.2Å
35E71.4Confident72.2Confident141 Ų141103 Ų10366%0.65953%0.529SS*.Hα-helixtrans-65.3-41.9176.4-165.1175.6136.900111.4V31 R37 E38 A39V31-E35 VanDerWaalsContact O-CB 3.26Å; V31-E35 WeakPolarHBondContact O-CB 3.26Å; V31-E35 PolarHBondContact O-N 3.32Å; E35-R37 VanDerWaalsContact C-N 3.33Å; E35-R37 PolarHBondContact O-N 2.69Å; E35-E38 PolarHBondContact O-N 2.82Å; E35-A39 VanDerWaalsContact O-CB 3.29Å; E35-A39 WeakPolarHBondContact O-CB 3.28Å; E35-A39 PolarHBondContact O-N 3.29Å
36D80.5Confident73.7Confident102 Ų10299.5 Ų99.555%0.54552%0.515SS..Hα-helixtrans-58.4-42.2169.9-94.5-12.6000111.9S32 V40S32-D36 PolarHBondContact O-N 2.65Å; S32-D36 VanDerWaalsContact O-N 3.1Å; D36-V40 WeakPolarHBondContact O-CG2 3.29Å; D36-V40 PolarHBondContact O-N 2.79Å; D36-V40 VanDerWaalsContact O-N 3.13Å
37R81.1Confident75.2Confident151 Ų15199.6 Ų99.657%0.5751%0.507SS*.Hα-helixtrans-66.8-41.1177.1-73.5165.5175.9176.42111.7L33 E34 E35 V40 R41L33-R37 WeakPolarHBondContact O-CD 3.46Å; L33-R37 VanDerWaalsContact O-CG 3.24Å; L33-R37 WeakPolarHBondContact O-CG 3.35Å; L33-R37 PolarHBondContact O-N 3.11Å; E34-R37 CarbonylContact O-C 3.58Å; E34-R37 WeakPolarHBondContact O-CB 3.45Å; E34-R37 PolarHBondContact O-N 2.83Å; E34-R37 VanDerWaalsContact O-N 3.17Å; E34-R37 WeakPolarHBondContact OE1-CD 3.42Å; E34-R37 IonicContact OE1-CZ 3.27Å; E34-R37 IonicContact OE1-NE 3.57Å; E34-R37 IonicContact OE1-NH1 3.23Å; E34-R37 PolarHBondContact OE1-NH1 2.93Å; E35-R37 VanDerWaalsContact C-N 3.33Å; E35-R37 PolarHBondContact O-N 2.69Å; R37-V40 PolarHBondContact O-N 3.21Å; R37-R41 WeakPolarHBondContact O-CG 3.28Å; R37-R41 PolarHBondContact O-N 2.74Å
38E82.4Confident76.7Confident105 Ų10597.3 Ų97.349%0.49149%0.493SS..Hα-helixtrans-71.1-38.3179.2-163174.2139.900112E34 E35 V40 R41 R42E34-E38 WeakPolarHBondContact O-CB 3.48Å; E34-E38 PolarHBondContact O-N 3.29Å; E35-E38 PolarHBondContact O-N 2.82Å; E38-V40 VanDerWaalsContact C-N 3.32Å; E38-V40 PolarHBondContact O-N 3Å; E38-R41 WeakPolarHBondContact O-CB 3.19Å; E38-R41 PolarHBondContact O-N 2.86Å; E38-R42 VanDerWaalsContact O-CB 3.31Å; E38-R42 WeakPolarHBondContact O-CB 3.45Å; E38-R42 PolarHBondContact O-N 3.18Å
39A85.1Confident78.1Confident56 Ų5694.8 Ų94.846%0.46348%0.476SS..Hα-helixtrans-59.1-42.4171.300000111.6E35 R42 E43E35-A39 VanDerWaalsContact O-CB 3.29Å; E35-A39 WeakPolarHBondContact O-CB 3.28Å; E35-A39 PolarHBondContact O-N 3.29Å; A39-R42 PolarHBondContact O-N 3.35Å; A39-E43 VanDerWaalsContact O-CB 3.32Å; A39-E43 WeakPolarHBondContact O-CB 3.3Å; A39-E43 PolarHBondContact O-N 3.5Å
40V86.4Confident79.5Confident105 Ų10593 Ų9364%0.63647%0.467SS*.Hα-helixtrans-64.6-42.5173.9170.30000111.9D36 R37 E38 A44D36-V40 WeakPolarHBondContact O-CG2 3.29Å; D36-V40 PolarHBondContact O-N 2.79Å; D36-V40 VanDerWaalsContact O-N 3.13Å; R37-V40 PolarHBondContact O-N 3.21Å; E38-V40 VanDerWaalsContact C-N 3.32Å; E38-V40 PolarHBondContact O-N 3Å; V40-A44 WeakPolarHBondContact O-CB 3.3Å; V40-A44 PolarHBondContact O-N 3.48Å
41R84.9Confident80.6Confident135 Ų13592.4 Ų92.451%0.50946%0.46SS..Hα-helixtrans-58.8-50173.8-72.9-177.3-71.3-122-1.9111.3E34 R37 E38 E43 A44 E45E34-R41 IonicContact OE2-NH1 4Å; E34-R41 IonicContact OE2-NH2 3.37Å; E34-R41 PolarHBondContact OE2-NH2 3.2Å; R37-R41 WeakPolarHBondContact O-CG 3.28Å; R37-R41 PolarHBondContact O-N 2.74Å; E38-R41 WeakPolarHBondContact O-CB 3.19Å; E38-R41 PolarHBondContact O-N 2.86Å; R41-E43 PolarHBondContact O-N 2.91Å; R41-A44 WeakPolarHBondContact O-CB 3.37Å; R41-A44 PolarHBondContact O-N 2.83Å; R41-E45 PolarHBondContact O-N 3.44Å
42R87.2Confident81.8Confident166 Ų16692.1 Ų92.163%0.62646%0.456SS*.Hα-helixtrans-65.8-36.5-177.4-162.9-176.7-162.194.58.3113E38 A39 R46E38-R42 VanDerWaalsContact O-CB 3.31Å; E38-R42 WeakPolarHBondContact O-CB 3.45Å; E38-R42 PolarHBondContact O-N 3.18Å; A39-R42 PolarHBondContact O-N 3.35Å; R42-R46 WeakPolarHBondContact O-CB 3.46Å; R42-R46 PolarHBondContact O-N 3.13Å
43E87.8Confident82.8Confident73 Ų7393.5 Ų93.534%0.34146%0.456SS..Hα-helixtrans-69.7-38173.6173.355-160.900111.6A39 R41 R46 Q47A39-E43 VanDerWaalsContact O-CB 3.32Å; A39-E43 WeakPolarHBondContact O-CB 3.3Å; A39-E43 PolarHBondContact O-N 3.5Å; R41-E43 PolarHBondContact O-N 2.91Å; E43-R46 VanDerWaalsContact CD-NH2 3.26Å; E43-R46 PolarHBondContact O-N 2.89Å; E43-R46 IonicContact OE1-CZ 3.78Å; E43-R46 IonicContact OE1-NE 3.01Å; E43-R46 IonicContact OE1-NH2 3.29Å; E43-R46 PolarHBondContact OE1-NH2 3.2Å; E43-R46 IonicContact OE2-CZ 3.59Å; E43-R46 VanDerWaalsContact OE2-CZ 3.29Å; E43-R46 IonicContact OE2-NE 3.68Å; E43-R46 PolarHBondContact OE2-NE 2.83Å; E43-R46 IonicContact OE2-NH2 2.66Å; E43-R46 PolarHBondContact OE2-NH2 2.98Å; E43-Q47 WeakPolarHBondContact O-CB 3.37Å; E43-Q47 VanDerWaalsContact O-CG 3.3Å; E43-Q47 WeakPolarHBondContact O-CG 3.39Å; E43-Q47 PolarHBondContact O-N 3.39Å; E43-Q47 PolarHBondContact OE1-NE2 3.12Å
44A87Confident83.7Confident55 Ų5595.8 Ų95.846%0.45546%0.462SS..Hα-helixtrans-65.2-43.7173.900000112.1V40 R41 Q47 A48V40-A44 WeakPolarHBondContact O-CB 3.3Å; V40-A44 PolarHBondContact O-N 3.48Å; R41-A44 WeakPolarHBondContact O-CB 3.37Å; R41-A44 PolarHBondContact O-N 2.83Å; A44-Q47 PolarHBondContact O-N 3.44Å; A44-A48 WeakPolarHBondContact O-CB 3.43Å; A44-A48 PolarHBondContact O-N 2.97Å
45E89.5Confident84.3Confident72 Ų7292.9 Ų92.934%0.33645%0.451SS..Hα-helixtrans-57.2-49.7172.4-177.8-169.2176.100111.1R41 Q47 A48 Q49R41-E45 PolarHBondContact O-N 3.44Å; E45-Q47 VanDerWaalsContact C-N 3.29Å; E45-Q47 PolarHBondContact O-N 3.02Å; E45-A48 PolarHBondContact O-N 3.32Å; E45-A48 VanDerWaalsContact O-N 3.12Å; E45-Q49 PolarHBondContact O-N 3.33Å
46R89.3Confident84.6Confident140 Ų14091.4 Ų91.453%0.52844%0.443SS..Hα-helixtrans-59-38.9177-168.3-165.767.873.63.4112.2R42 E43 A50R42-R46 WeakPolarHBondContact O-CB 3.46Å; R42-R46 PolarHBondContact O-N 3.13Å; E43-R46 VanDerWaalsContact CD-NH2 3.26Å; E43-R46 PolarHBondContact O-N 2.89Å; E43-R46 IonicContact OE1-CZ 3.78Å; E43-R46 IonicContact OE1-NE 3.01Å; E43-R46 IonicContact OE1-NH2 3.29Å; E43-R46 PolarHBondContact OE1-NH2 3.2Å; E43-R46 IonicContact OE2-CZ 3.59Å; E43-R46 VanDerWaalsContact OE2-CZ 3.29Å; E43-R46 IonicContact OE2-NE 3.68Å; E43-R46 PolarHBondContact OE2-NE 2.83Å; E43-R46 IonicContact OE2-NH2 2.66Å; E43-R46 PolarHBondContact OE2-NH2 2.98Å; R46-A50 VanDerWaalsContact O-CB 3.3Å; R46-A50 WeakPolarHBondContact O-CB 3.25Å; R46-A50 PolarHBondContact O-N 2.92Å
47Q86.8Confident84.6Confident96 Ų9692.8 Ų92.845%0.44946%0.455SS..Hα-helixtrans-68.5-41.1174.7-74178.927.400112.3E43 A44 E45 A50 Q51E43-Q47 WeakPolarHBondContact O-CB 3.37Å; E43-Q47 VanDerWaalsContact O-CG 3.3Å; E43-Q47 WeakPolarHBondContact O-CG 3.39Å; E43-Q47 PolarHBondContact O-N 3.39Å; E43-Q47 PolarHBondContact OE1-NE2 3.12Å; A44-Q47 PolarHBondContact O-N 3.44Å; E45-Q47 VanDerWaalsContact C-N 3.29Å; E45-Q47 PolarHBondContact O-N 3.02Å; Q47-A50 PolarHBondContact O-N 2.83Å; Q47-Q51 WeakPolarHBondContact O-CG 3.49Å; Q47-Q51 PolarHBondContact O-N 3.45Å
48A85.1Confident84.5Confident21 Ų2189.5 Ų89.517%0.17445%0.445CS..Hα-helixtrans-66.7-40.3177.300000111.7A44 E45 Q51 L52 P79 V80A44-A48 WeakPolarHBondContact O-CB 3.43Å; A44-A48 PolarHBondContact O-N 2.97Å; E45-A48 PolarHBondContact O-N 3.32Å; E45-A48 VanDerWaalsContact O-N 3.12Å; A48-Q51 WeakPolarHBondContact O-CB 3.45Å; A48-Q51 PolarHBondContact O-N 3.12Å; A48-L52 PolarHBondContact O-N 3.2Å; A48-P79 HydrophobicContact CB-CB 3.95Å; A48-P79 VanDerWaalsContact CB-O 3.29Å; A48-P79 WeakPolarHBondContact CB-O 3.43Å; A48-V80 HydrophobicContact CB-CG2 3.57Å
49Q86.9Confident84Confident82 Ų8289.6 Ų89.638%0.38346%0.455SS..Hα-helixtrans-68.4-39.2175.4-163.2168.23400111.6E45 Q51 L52 E53 V80E45-Q49 PolarHBondContact O-N 3.33Å; Q49-Q51 PolarHBondContact O-N 2.92Å; Q49-L52 PolarHBondContact O-N 3.47Å; Q49-L52 VanDerWaalsContact O-N 3.13Å; Q49-E53 WeakPolarHBondContact O-CG 3.47Å; Q49-E53 PolarHBondContact O-N 2.81Å; Q49-V80 HydrophobicContact CB-CG1 4.03Å; Q49-V80 HydrophobicContact CB-CG2 3.98Å; Q49-V80 HydrophobicContact CG-CG1 4.07Å
50A85.4Confident83.5Confident44 Ų4490.1 Ų90.136%0.36445%0.452SS..Hα-helixtrans-64.1-26.6172.200000113.5R46 Q47 K54R46-A50 VanDerWaalsContact O-CB 3.3Å; R46-A50 WeakPolarHBondContact O-CB 3.25Å; R46-A50 PolarHBondContact O-N 2.92Å; Q47-A50 PolarHBondContact O-N 2.83Å; A50-K54 VanDerWaalsContact O-CG 3.31Å; A50-K54 WeakPolarHBondContact O-CG 3.45Å; A50-K54 PolarHBondContact O-N 2.78Å
51Q82.4Confident83.2Confident91 Ų9188 Ų8843%0.42545%0.445SS..Hα-helixtrans-75.3-42.3169.5-72168.843.700111.3Q47 A48 Q49 E53 K54 A55Q47-Q51 WeakPolarHBondContact O-CG 3.49Å; Q47-Q51 PolarHBondContact O-N 3.45Å; A48-Q51 WeakPolarHBondContact O-CB 3.45Å; A48-Q51 PolarHBondContact O-N 3.12Å; Q49-Q51 PolarHBondContact O-N 2.92Å; Q51-E53 PolarHBondContact O-N 3.37Å; Q51-K54 CarbonylContact O-C 3.57Å; Q51-K54 PolarHBondContact O-N 3.41Å; Q51-A55 PolarHBondContact O-N 3.43Å
52L84.3Confident82.8Confident60 Ų6084.2 Ų84.231%0.31443%0.433SS..Hα-helixtrans-61.3-44.5178-175.560.2000112.3A48 Q49 K54 A55 K56 M83A48-L52 PolarHBondContact O-N 3.2Å; Q49-L52 PolarHBondContact O-N 3.47Å; Q49-L52 VanDerWaalsContact O-N 3.13Å; L52-K54 PolarHBondContact O-N 3.44Å; L52-A55 WeakPolarHBondContact O-CB 3.28Å; L52-A55 PolarHBondContact O-N 3.2Å; L52-A55 VanDerWaalsContact O-N 3.12Å; L52-K56 PolarHBondContact O-N 3.17Å; L52-M83 HydrophobicContact CD2-CB 3.77Å; L52-M83 HydrophobicContact CD2-CE 3.73Å; L52-M83 HydrophobicContact CD2-CG 3.95Å
53E85.9Confident82.5Confident91 Ų9178.9 Ų78.943%0.42542%0.424SS..Hα-helixtrans-60.1-44173.6-66.8-52.1131.200111.8Q49 Q51 A55 K56Q49-E53 WeakPolarHBondContact O-CG 3.47Å; Q49-E53 PolarHBondContact O-N 2.81Å; Q51-E53 PolarHBondContact O-N 3.37Å; E53-A55 VanDerWaalsContact C-N 3.26Å; E53-A55 PolarHBondContact O-N 3.28Å; E53-K56 WeakPolarHBondContact O-CB 3.29Å; E53-K56 PolarHBondContact O-N 2.66Å; E53-K56 VanDerWaalsContact OE1-CE 3.28Å; E53-K56 WeakPolarHBondContact OE1-CE 3.32Å; E53-K56 IonicContact OE1-NZ 2.65Å; E53-K56 PolarHBondContact OE1-NZ 2.81Å; E53-K56 WeakPolarHBondContact OE2-CD 3.3Å; E53-K56 VanDerWaalsContact OE2-CE 3.29Å; E53-K56 WeakPolarHBondContact OE2-CE 3.31Å; E53-K56 IonicContact OE2-NZ 2.69Å; E53-K56 PolarHBondContact OE2-NZ 3.3Å
54K82.9Confident82.5Confident147 Ų14778.5 Ų78.564%0.63943%0.427SS*.Hα-helixtrans-64.8-27.1174.6-75.5178178.8-174.20113.3A50 Q51 L52A50-K54 VanDerWaalsContact O-CG 3.31Å; A50-K54 WeakPolarHBondContact O-CG 3.45Å; A50-K54 PolarHBondContact O-N 2.78Å; Q51-K54 CarbonylContact O-C 3.57Å; Q51-K54 PolarHBondContact O-N 3.41Å; L52-K54 PolarHBondContact O-N 3.44Å
55A77.8Confident82.8Confident17 Ų1782.9 Ų82.914%0.1443%0.431CS..Hα-helixtrans-76.8-25176.400000112.5Q51 L52 E53 T57 K58 K96Q51-A55 PolarHBondContact O-N 3.43Å; L52-A55 WeakPolarHBondContact O-CB 3.28Å; L52-A55 PolarHBondContact O-N 3.2Å; L52-A55 VanDerWaalsContact O-N 3.12Å; E53-A55 VanDerWaalsContact C-N 3.26Å; E53-A55 PolarHBondContact O-N 3.28Å; A55-T57 VanDerWaalsContact C-N 3.31Å; A55-T57 PolarHBondContact O-N 3.26Å; A55-K58 PolarHBondContact O-N 3.11Å; A55-K96 WeakPolarHBondContact O-CD 3.36Å
56K78.6Confident82.9Confident111 Ų11180 Ų8048%0.48342%0.419SS..Hα-helixtrans-55.8-44.1-179.9-69.8-179.2-174169.10112.5L52 E53 K96L52-K56 PolarHBondContact O-N 3.17Å; E53-K56 WeakPolarHBondContact O-CB 3.29Å; E53-K56 PolarHBondContact O-N 2.66Å; E53-K56 VanDerWaalsContact OE1-CE 3.28Å; E53-K56 WeakPolarHBondContact OE1-CE 3.32Å; E53-K56 IonicContact OE1-NZ 2.65Å; E53-K56 PolarHBondContact OE1-NZ 2.81Å; E53-K56 WeakPolarHBondContact OE2-CD 3.3Å; E53-K56 VanDerWaalsContact OE2-CE 3.29Å; E53-K56 WeakPolarHBondContact OE2-CE 3.31Å; E53-K56 IonicContact OE2-NZ 2.69Å; E53-K56 PolarHBondContact OE2-NZ 3.3Å; K56-K96 PolarHBondContact O-NZ 3.1Å
57T80.1Confident82.9Confident130 Ų13079.7 Ų79.780%0.79843%0.427SS*.THydrogen-bonded Turntrans-84.6-9.6-178.153.50000114.8A55A55-T57 VanDerWaalsContact C-N 3.31Å; A55-T57 PolarHBondContact O-N 3.26Å
58K78Confident83.1Confident82 Ų8280.2 Ų80.236%0.35744%0.437SS..SBendtrans-69.4152.4176.4-72.2-177.5-178.9-172.90111.6A55 K96 E97A55-K58 PolarHBondContact O-N 3.11Å; K58-K96 HydrophobicContact CB-CD 4.5Å; K58-K96 WeakPolarHBondContact O-CD 3.5Å; K58-K96 WeakPolarHBondContact O-CE 3.34Å; K58-K96 PolarHBondContact O-NZ 2.71Å; K58-E97 HydrophobicContact CD-CG 4.35Å; K58-E97 WeakPolarHBondContact CE-OE1 3.24Å; K58-E97 IonicContact NZ-OE1 3.22Å; K58-E97 PolarHBondContact NZ-OE1 2.73Å
59P72.8Confident83.5Confident108 Ų10883.3 Ų83.370%0.70146%0.457SS*.PPolyproline II helixtrans-60164169.327.1-35000111.4K96P59-K96 WeakPolarHBondContact O-CG 3.43Å
60V73.8Confident83.7Confident66 Ų6683.3 Ų83.340%0.445%0.454SS..PPolyproline II helixtrans-78.1130.3166.5179.60000107.6F62 H94V60-F62 VanDerWaalsContact CG1-O 3.3Å; V60-F62 WeakPolarHBondContact CG1-O 3.02Å; V60-H94 HydrophobicContact CB-CB 4.49Å; V60-H94 HydrophobicContact CG1-CB 3.82Å; V60-H94 HydrophobicContact CG2-CB 3.81Å
61A81Confident83.9Confident60 Ų6085 Ų8550%0.49646%0.463SS..  trans-85.7-39.9175.500000111.3V95 V98A61-V95 WeakPolarHBondContact CB-O 3.32Å; A61-V95 PolarHBondContact N-O 3.09Å; A61-V98 HydrophobicContact CB-CG2 3.63Å
62F75.4Confident83.9Confident57 Ų5781.5 Ų81.525%0.2545%0.45CS..EExtended strand (participates in β ladder)trans-157.7163.4167.657.5-107.4000111.8V60 V64 V95 V98V60-F62 VanDerWaalsContact CG1-O 3.3Å; V60-F62 WeakPolarHBondContact CG1-O 3.02Å; F62-V64 HydrophobicContact CD2-CG1 3.84Å; F62-V64 HydrophobicContact CE2-CG1 3.71Å; F62-V95 HydrophobicContact CD2-CB 3.9Å; F62-V95 HydrophobicContact CD2-CG2 3.99Å; F62-V95 HydrophobicContact CE1-CB 4.49Å; F62-V95 HydrophobicContact CE1-CG1 4.38Å; F62-V95 HydrophobicContact CE2-CB 3.6Å; F62-V95 HydrophobicContact CE2-CG1 4.1Å; F62-V95 HydrophobicContact CE2-CG2 3.46Å; F62-V95 VanDerWaalsContact CE2-CG2 3.46Å; F62-V95 HydrophobicContact CG-CB 4.46Å; F62-V95 HydrophobicContact CZ-CB 3.93Å; F62-V95 HydrophobicContact CZ-CG1 3.9Å; F62-V95 HydrophobicContact CZ-CG2 4.09Å; F62-V95 PolarHBondContact N-O 3.39Å; F62-V95 PolarHBondContact O-N 3.24Å; F62-V98 HydrophobicContact CD1-CG2 3.88Å; F62-V98 HydrophobicContact CE1-CB 4.39Å; F62-V98 HydrophobicContact CE1-CG1 3.98Å; F62-V98 HydrophobicContact CE1-CG2 3.44Å; F62-V98 VanDerWaalsContact CE1-CG2 3.44Å; F62-V98 HydrophobicContact CZ-CG2 4.3Å
63A82.8Confident83.5Confident54 Ų5482 Ų8245%0.44646%0.463SS..EExtended strand (participates in β ladder)trans-107.4137.9168.500000110.2L93A63-L93 WeakPolarHBondContact CA-O 3.47Å
64V87.5Confident82.4Confident65 Ų6586.1 Ų86.139%0.39448%0.482SS..EExtended strand (participates in β ladder)trans-116.8134.3169.3-72.20000110.6F62 F92 L93F62-V64 HydrophobicContact CD2-CG1 3.84Å; F62-V64 HydrophobicContact CE2-CG1 3.71Å; V64-F92 CarbonylContact O-C 3.6Å; V64-F92 WeakPolarHBondContact O-CA 3.43Å; V64-L93 HydrophobicContact CG2-CB 3.96Å; V64-L93 PolarHBondContact N-O 3.01Å; V64-L93 PolarHBondContact O-N 3.25Å
65R92.4Very high81.7Confident147 Ų14784.2 Ų84.256%0.55548%0.475SS*.EExtended strand (participates in β ladder)trans-84.8128.6168.8-160-177.769.6-156.6-2.5110.1K90 D91 F92R65-K90 WeakPolarHBondContact CG-O 3.3Å; R65-D91 CarbonylContact C-O 3.5Å; R65-D91 VanDerWaalsContact CA-O 3.25Å; R65-D91 WeakPolarHBondContact CA-O 3.29Å; R65-D91 WeakPolarHBondContact CG-O 3.4Å; R65-F92 HydrophobicContact CB-CD1 4.02Å; R65-F92 HydrophobicContact CB-CE1 3.77Å; R65-F92 HydrophobicContact CB-CE2 4.49Å; R65-F92 HydrophobicContact CB-CG 4.5Å; R65-F92 HydrophobicContact CB-CZ 4.04Å; R65-F92 HydrophobicContact CG-CD1 4.31Å; R65-F92 HydrophobicContact CG-CD2 4.14Å; R65-F92 HydrophobicContact CG-CE1 4.05Å; R65-F92 HydrophobicContact CG-CE2 3.86Å; R65-F92 HydrophobicContact CG-CG 4.37Å; R65-F92 HydrophobicContact CG-CZ 3.83Å
66T91.6Very high80.9Confident12 Ų1291.6 Ų91.67%0.07451%0.512CS..  trans-73.6145.2-179.866.60000110.6F87 E88 A89 K90 D91 L93T66-F87 HydrophobicContact CG2-CD2 3.48Å; T66-F87 VanDerWaalsContact CG2-CD2 3.48Å; T66-F87 HydrophobicContact CG2-CE2 3.66Å; T66-F87 HydrophobicContact CG2-CG 4.11Å; T66-F87 HydrophobicContact CG2-CZ 4.42Å; T66-E88 PolarHBondContact OG1-O 3.21Å; T66-A89 WeakPolarHBondContact OG1-CA 3.35Å; T66-K90 VanDerWaalsContact O-CA 3.29Å; T66-K90 WeakPolarHBondContact O-CA 3.45Å; T66-K90 PolarHBondContact O-N 3.45Å; T66-K90 PolarHBondContact OG1-N 3.02Å; T66-D91 HydrophobicContact CG2-CB 4.27Å; T66-D91 PolarHBondContact N-O 2.88Å; T66-D91 PolarHBondContact OG1-N 3.47Å; T66-D91 PolarHBondContact OG1-O 2.95Å; T66-L93 HydrophobicContact CG2-CD1 3.7Å; T66-L93 HydrophobicContact CG2-CD2 4.32Å; T66-L93 HydrophobicContact CG2-CG 3.74Å
67N89Confident80.8Confident133 Ų13393.7 Ų93.771%0.71153%0.529SS*.SBendtrans-110.6-5.9171.6-68.7-36.3000112.5
68V92.3Very high80.9Confident106 Ų10689 Ų8964%0.64250%0.5SS*.SBendtrans-139.8154.2178.1-65.10000109F87V68-F87 WeakPolarHBondContact O-CE2 3.43Å
69S92.2Very high81.2Confident86 Ų8689.8 Ų89.860%0.60151%0.513SS*.  trans-84.1151.3170.953.20000111.7F87S69-F87 CarbonylContact C-O 3.6Å; S69-F87 VanDerWaalsContact CA-O 3.26Å; S69-F87 WeakPolarHBondContact CA-O 3.14Å
70Y91.4Very high81.8Confident83 Ų8385.1 Ų85.133%0.32548%0.483SS..BIsolated β-bridgetrans-138.8137.7175.1168.8-105.5000110.4A72 E75 I85 S86 F87Y70-A72 HydrophobicContact CE1-CB 4.13Å; Y70-E75 HydrophobicContact CE2-CG 4.42Å; Y70-I85 VanDerWaalsContact CD1-O 3.28Å; Y70-I85 WeakPolarHBondContact CD1-O 3.05Å; Y70-I85 WeakPolarHBondContact CE1-O 3.31Å; Y70-S86 CarbonylContact O-C 3.51Å; Y70-S86 WeakPolarHBondContact O-CA 3.26Å; Y70-S86 WeakPolarHBondContact O-CB 3.35Å; Y70-F87 HydrophobicContact CD1-CD1 4.08Å; Y70-F87 AromaticContact CD1-CE1 3.63Å; Y70-F87 HydrophobicContact CD1-CE1 3.63Å; Y70-F87 HydrophobicContact CD1-CZ 4.14Å; Y70-F87 HydrophobicContact CG-CE1 4.03Å; Y70-F87 HydrophobicContact CG-CZ 4.05Å; Y70-F87 PolarHBondContact N-O 3.3Å; Y70-F87 PolarHBondContact O-N 2.78Å
71S88.8Confident82.3Confident78 Ų7886.1 Ų86.155%0.54549%0.491SS..  trans-120.1125.1175.2-179.70000109.6A73S71-A73 PolarHBondContact O-N 3.29Å
72A83.7Confident82.5Confident19 Ų1987.2 Ų87.216%0.15751%0.507CS..  trans-78.71.8-179.700000113.9Y70 H74 A84 S86Y70-A72 HydrophobicContact CE1-CB 4.13Å; A72-H74 PolarHBondContact O-N 2.83Å; A72-H74 VanDerWaalsContact O-N 3.09Å; A72-A84 HydrophobicContact CB-CB 3.57Å; A72-A84 WeakPolarHBondContact CB-O 3.49Å; A72-S86 PolarHBondContact N-OG 3.2Å
73A74.6Confident83Confident70 Ų7088.7 Ų88.758%0.57952%0.516SS*.THydrogen-bonded Turntrans-68.2-11.4-165.200000115.9S71S71-A73 PolarHBondContact O-N 3.29Å
74H64.6Low83.2Confident177 Ų17787.7 Ų87.782%0.81951%0.508SS*.THydrogen-bonded Turntrans-13517.3-171.6-58.5-24.8000113.7A72A72-H74 PolarHBondContact O-N 2.83Å; A72-H74 VanDerWaalsContact O-N 3.09Å
75E66.3Low83.2Confident107 Ų10789.9 Ų89.950%0.552%0.516SS..  trans-102101.4-178-66.9-72166.600110.6Y70 D77 V78Y70-E75 HydrophobicContact CE2-CG 4.42Å; E75-D77 VanDerWaalsContact C-N 3.34Å; E75-V78 HydrophobicContact CB-CG2 3.8Å; E75-V78 VanDerWaalsContact O-CG2 3.3Å; E75-V78 WeakPolarHBondContact O-CG2 3.48Å
76D61.7Low83.1Confident172 Ų17286.4 Ų86.492%0.9251%0.514SS*.THydrogen-bonded Turntrans-77.4-15.6178.6-74.7-49.3000113.6V78D76-V78 VanDerWaalsContact C-N 3.29Å; D76-V78 PolarHBondContact O-N 2.98Å
77D75.9Confident83.2Confident156 Ų15687.8 Ų87.883%0.83452%0.52SS*.THydrogen-bonded Turntrans-91.921.2-176.1-152.825.2000113E75E75-D77 VanDerWaalsContact C-N 3.34Å
78V83.2Confident83.3Confident32 Ų3288.4 Ų88.419%0.19452%0.518CS..  trans-78.2126-180177.80000110.4E75 D76 V80 A84E75-V78 HydrophobicContact CB-CG2 3.8Å; E75-V78 VanDerWaalsContact O-CG2 3.3Å; E75-V78 WeakPolarHBondContact O-CG2 3.48Å; D76-V78 VanDerWaalsContact C-N 3.29Å; D76-V78 PolarHBondContact O-N 2.98Å; V78-V80 VanDerWaalsContact CG1-O 3.28Å; V78-V80 WeakPolarHBondContact CG1-O 3.3Å; V78-V80 PolarHBondContact O-N 2.87Å; V78-A84 HydrophobicContact CB-CB 4.44Å; V78-A84 HydrophobicContact CG1-CB 3.72Å; V78-A84 HydrophobicContact CG2-CB 3.79Å
79P83.4Confident83.4Confident98 Ų9885.5 Ų85.564%0.63651%0.506SS*.SBendtrans-60.4-16.9-175.1-28.135.8000117A48A48-P79 HydrophobicContact CB-CB 3.95Å; A48-P79 VanDerWaalsContact CB-O 3.29Å; A48-P79 WeakPolarHBondContact CB-O 3.43Å
80V85.9Confident83.3Confident10 Ų1089 Ų896%0.06151%0.51CS..SBendtrans-140110.7169.6-172.90000107.6A48 Q49 V78 M83A48-V80 HydrophobicContact CB-CG2 3.57Å; Q49-V80 HydrophobicContact CB-CG1 4.03Å; Q49-V80 HydrophobicContact CB-CG2 3.98Å; Q49-V80 HydrophobicContact CG-CG1 4.07Å; V78-V80 VanDerWaalsContact CG1-O 3.28Å; V78-V80 WeakPolarHBondContact CG1-O 3.3Å; V78-V80 PolarHBondContact O-N 2.87Å; V80-M83 HydrophobicContact CB-CB 4.08Å; V80-M83 HydrophobicContact CB-CG 4.06Å; V80-M83 HydrophobicContact CG1-CB 4.14Å; V80-M83 HydrophobicContact CG1-CG 3.55Å; V80-M83 PolarHBondContact O-N 3.33Å
81P84.3Confident83.3Confident87 Ų8788.4 Ų88.457%0.56551%0.512SS*.THydrogen-bonded Turntrans-52.6139.4-178.2-29.136.2000113.1M83P81-M83 PolarHBondContact O-N 2.82Å; P81-M83 VanDerWaalsContact O-N 3.11Å
82G84.8Confident83Confident82 Ų8291 Ų9185%0.84551%0.514SS*.THydrogen-bonded Turntrans70.9-4.6179.300000116.4
83M86Confident83.2Confident89 Ų8991.8 Ų91.844%0.43852%0.515SS..  trans-98.82.8-179.2-60.2-57.2-58.600114.3L52 V80 P81L52-M83 HydrophobicContact CD2-CB 3.77Å; L52-M83 HydrophobicContact CD2-CE 3.73Å; L52-M83 HydrophobicContact CD2-CG 3.95Å; V80-M83 HydrophobicContact CB-CB 4.08Å; V80-M83 HydrophobicContact CB-CG 4.06Å; V80-M83 HydrophobicContact CG1-CB 4.14Å; V80-M83 HydrophobicContact CG1-CG 3.55Å; V80-M83 PolarHBondContact O-N 3.33Å; P81-M83 PolarHBondContact O-N 2.82Å; P81-M83 VanDerWaalsContact O-N 3.11Å
84A87.4Confident83.5Confident33 Ų3394.4 Ų94.427%0.27352%0.516SS..PPolyproline II helixtrans-73.2131.917200000111.1A72 V78A72-A84 HydrophobicContact CB-CB 3.57Å; A72-A84 WeakPolarHBondContact CB-O 3.49Å; V78-A84 HydrophobicContact CB-CB 4.44Å; V78-A84 HydrophobicContact CG1-CB 3.72Å; V78-A84 HydrophobicContact CG2-CB 3.79Å
85I88.2Confident84.3Confident110 Ų11087.4 Ų87.456%0.56449%0.485SS*.PPolyproline II helixtrans-80.2137.9179.759.5177000110.9Y70 F87 L93Y70-I85 VanDerWaalsContact CD1-O 3.28Å; Y70-I85 WeakPolarHBondContact CD1-O 3.05Å; Y70-I85 WeakPolarHBondContact CE1-O 3.31Å; I85-F87 HydrophobicContact CG1-CD1 4.44Å; I85-L93 HydrophobicContact CD1-CD2 4.2Å
86S90.4Very high84.6Confident74 Ų7485.7 Ų85.752%0.51748%0.476SS..PPolyproline II helixtrans-100.2150.1164.9-56.20000109.1Y70 A72Y70-S86 CarbonylContact O-C 3.51Å; Y70-S86 WeakPolarHBondContact O-CA 3.26Å; Y70-S86 WeakPolarHBondContact O-CB 3.35Å; A72-S86 PolarHBondContact N-OG 3.2Å
87F92.5Very high85.2Confident42 Ų4279.6 Ų79.618%0.18444%0.442CS..BIsolated β-bridgetrans-152152-177.853.7-101.4000111.7T66 V68 S69 Y70 I85 D91 L93T66-F87 HydrophobicContact CG2-CD2 3.48Å; T66-F87 VanDerWaalsContact CG2-CD2 3.48Å; T66-F87 HydrophobicContact CG2-CE2 3.66Å; T66-F87 HydrophobicContact CG2-CG 4.11Å; T66-F87 HydrophobicContact CG2-CZ 4.42Å; V68-F87 WeakPolarHBondContact O-CE2 3.43Å; S69-F87 CarbonylContact C-O 3.6Å; S69-F87 VanDerWaalsContact CA-O 3.26Å; S69-F87 WeakPolarHBondContact CA-O 3.14Å; Y70-F87 HydrophobicContact CD1-CD1 4.08Å; Y70-F87 AromaticContact CD1-CE1 3.63Å; Y70-F87 HydrophobicContact CD1-CE1 3.63Å; Y70-F87 HydrophobicContact CD1-CZ 4.14Å; Y70-F87 HydrophobicContact CG-CE1 4.03Å; Y70-F87 HydrophobicContact CG-CZ 4.05Å; Y70-F87 PolarHBondContact N-O 3.3Å; Y70-F87 PolarHBondContact O-N 2.78Å; I85-F87 HydrophobicContact CG1-CD1 4.44Å; F87-D91 WeakPolarHBondContact CA-OD2 3.5Å; F87-D91 HydrophobicContact CB-CB 4.29Å; F87-L93 HydrophobicContact CB-CD2 3.96Å; F87-L93 HydrophobicContact CD1-CD1 3.67Å; F87-L93 HydrophobicContact CD1-CD2 3.99Å; F87-L93 HydrophobicContact CD1-CG 4.46Å; F87-L93 HydrophobicContact CD2-CD1 4.47Å; F87-L93 HydrophobicContact CE1-CD1 3.58Å; F87-L93 HydrophobicContact CE2-CD1 4.39Å; F87-L93 HydrophobicContact CG-CD1 4.12Å; F87-L93 HydrophobicContact CG-CD2 4.08Å; F87-L93 HydrophobicContact CZ-CD1 3.94Å
88E91.9Very high85.2Confident145 Ų14574 Ų7468%0.67841%0.413SS*.  trans-90.3176172.3-65.9-165.9-171.500111.3T66 D91T66-E88 PolarHBondContact OG1-O 3.21Å; E88-D91 PolarHBondContact N-OD2 2.88Å
89A94.1Very high85.2Confident46 Ų4675.8 Ų75.838%0.3842%0.421SS..THydrogen-bonded Turntrans-77.7134.717300000110.3T66T66-A89 WeakPolarHBondContact OG1-CA 3.35Å
90K90.8Very high85.2Confident158 Ų15873.5 Ų73.569%0.68740%0.402SS*.THydrogen-bonded Turntrans84.70.5-173.3-49.2162.6-172.8169.90115.9R65 T66R65-K90 WeakPolarHBondContact CG-O 3.3Å; T66-K90 VanDerWaalsContact O-CA 3.29Å; T66-K90 WeakPolarHBondContact O-CA 3.45Å; T66-K90 PolarHBondContact O-N 3.45Å; T66-K90 PolarHBondContact OG1-N 3.02Å
91D89.8Confident85.2Confident71 Ų7180.5 Ų80.538%0.3843%0.427SS..  trans-62.7158168.7-80.8-17.5000112.1R65 T66 F87 E88R65-D91 CarbonylContact C-O 3.5Å; R65-D91 VanDerWaalsContact CA-O 3.25Å; R65-D91 WeakPolarHBondContact CA-O 3.29Å; R65-D91 WeakPolarHBondContact CG-O 3.4Å; T66-D91 HydrophobicContact CG2-CB 4.27Å; T66-D91 PolarHBondContact N-O 2.88Å; T66-D91 PolarHBondContact OG1-N 3.47Å; T66-D91 PolarHBondContact OG1-O 2.95Å; F87-D91 WeakPolarHBondContact CA-OD2 3.5Å; F87-D91 HydrophobicContact CB-CB 4.29Å; E88-D91 PolarHBondContact N-OD2 2.88Å
92F83.5Confident85.3Confident134 Ų13481 Ų8159%0.58843%0.425SS*.EExtended strand (participates in β ladder)trans-110.1121.3174.1-74.5-96.5000111.1V64 R65V64-F92 CarbonylContact O-C 3.6Å; V64-F92 WeakPolarHBondContact O-CA 3.43Å; R65-F92 HydrophobicContact CB-CD1 4.02Å; R65-F92 HydrophobicContact CB-CE1 3.77Å; R65-F92 HydrophobicContact CB-CE2 4.49Å; R65-F92 HydrophobicContact CB-CG 4.5Å; R65-F92 HydrophobicContact CB-CZ 4.04Å; R65-F92 HydrophobicContact CG-CD1 4.31Å; R65-F92 HydrophobicContact CG-CD2 4.14Å; R65-F92 HydrophobicContact CG-CE1 4.05Å; R65-F92 HydrophobicContact CG-CE2 3.86Å; R65-F92 HydrophobicContact CG-CG 4.37Å; R65-F92 HydrophobicContact CG-CZ 3.83Å
93L88.2Confident85.5Confident35 Ų3577.5 Ų77.518%0.18339%0.387CS..EExtended strand (participates in β ladder)trans-105.3122.5-179.4-50.5-178.9000111A63 V64 T66 I85 F87A63-L93 WeakPolarHBondContact CA-O 3.47Å; V64-L93 HydrophobicContact CG2-CB 3.96Å; V64-L93 PolarHBondContact N-O 3.01Å; V64-L93 PolarHBondContact O-N 3.25Å; T66-L93 HydrophobicContact CG2-CD1 3.7Å; T66-L93 HydrophobicContact CG2-CD2 4.32Å; T66-L93 HydrophobicContact CG2-CG 3.74Å; I85-L93 HydrophobicContact CD1-CD2 4.2Å; F87-L93 HydrophobicContact CB-CD2 3.96Å; F87-L93 HydrophobicContact CD1-CD1 3.67Å; F87-L93 HydrophobicContact CD1-CD2 3.99Å; F87-L93 HydrophobicContact CD1-CG 4.46Å; F87-L93 HydrophobicContact CD2-CD1 4.47Å; F87-L93 HydrophobicContact CE1-CD1 3.58Å; F87-L93 HydrophobicContact CE2-CD1 4.39Å; F87-L93 HydrophobicContact CG-CD1 4.12Å; F87-L93 HydrophobicContact CG-CD2 4.08Å; F87-L93 HydrophobicContact CZ-CD1 3.94Å
94H81.2Confident85.6Confident125 Ų12578.5 Ų78.558%0.57939%0.389SS*.EExtended strand (participates in β ladder)trans-85.3113.7177-66.9134.4000111.7V60V60-H94 HydrophobicContact CB-CB 4.49Å; V60-H94 HydrophobicContact CG1-CB 3.82Å; V60-H94 HydrophobicContact CG2-CB 3.81Å
95V81Confident85.7Confident30 Ų3081.4 Ų81.418%0.18241%0.407CS..EExtended strand (participates in β ladder)trans-97128.8178.8-176.80000109.8A61 F62 V98A61-V95 WeakPolarHBondContact CB-O 3.32Å; A61-V95 PolarHBondContact N-O 3.09Å; F62-V95 HydrophobicContact CD2-CB 3.9Å; F62-V95 HydrophobicContact CD2-CG2 3.99Å; F62-V95 HydrophobicContact CE1-CB 4.49Å; F62-V95 HydrophobicContact CE1-CG1 4.38Å; F62-V95 HydrophobicContact CE2-CB 3.6Å; F62-V95 HydrophobicContact CE2-CG1 4.1Å; F62-V95 HydrophobicContact CE2-CG2 3.46Å; F62-V95 VanDerWaalsContact CE2-CG2 3.46Å; F62-V95 HydrophobicContact CG-CB 4.46Å; F62-V95 HydrophobicContact CZ-CB 3.93Å; F62-V95 HydrophobicContact CZ-CG1 3.9Å; F62-V95 HydrophobicContact CZ-CG2 4.09Å; F62-V95 PolarHBondContact N-O 3.39Å; F62-V95 PolarHBondContact O-N 3.24Å; V95-V98 HydrophobicContact CG1-CG2 4.17Å
96K72.8Confident85.9Confident71 Ų7185.5 Ų85.531%0.30942%0.415SS..  trans-111.6-15.9-173.3-60.9-163.2170.4-154.90116.3A55 K56 K58 P59A55-K96 WeakPolarHBondContact O-CD 3.36Å; K56-K96 PolarHBondContact O-NZ 3.1Å; K58-K96 HydrophobicContact CB-CD 4.5Å; K58-K96 WeakPolarHBondContact O-CD 3.5Å; K58-K96 WeakPolarHBondContact O-CE 3.34Å; K58-K96 PolarHBondContact O-NZ 2.71Å; P59-K96 WeakPolarHBondContact O-CG 3.43Å
97E73.9Confident86Confident44 Ų4483.3 Ų83.321%0.20641%0.405CS..  trans-134.3109.3-179.9-64.2-159.1163.500111.3K58 R101K58-E97 HydrophobicContact CD-CG 4.35Å; K58-E97 WeakPolarHBondContact CE-OE1 3.24Å; K58-E97 IonicContact NZ-OE1 3.22Å; K58-E97 PolarHBondContact NZ-OE1 2.73Å; E97-R101 PolarHBondContact O-NH1 3.42Å
98V76.7Confident86Confident38 Ų3890.7 Ų90.723%0.2344%0.437CS..  trans-114.8-53.3-172-172.70000111A61 F62 V95 Q100 R101 L102A61-V98 HydrophobicContact CB-CG2 3.63Å; F62-V98 HydrophobicContact CD1-CG2 3.88Å; F62-V98 HydrophobicContact CE1-CB 4.39Å; F62-V98 HydrophobicContact CE1-CG1 3.98Å; F62-V98 HydrophobicContact CE1-CG2 3.44Å; F62-V98 VanDerWaalsContact CE1-CG2 3.44Å; F62-V98 HydrophobicContact CZ-CG2 4.3Å; V95-V98 HydrophobicContact CG1-CG2 4.17Å; V98-Q100 PolarHBondContact O-N 3.13Å; V98-R101 WeakPolarHBondContact O-CA 3.46Å; V98-R101 WeakPolarHBondContact O-CB 3.35Å; V98-R101 PolarHBondContact O-N 3.35Å; V98-L102 HydrophobicContact CG1-CD1 3.83Å; V98-L102 HydrophobicContact CG1-CG 4.07Å; V98-L102 PolarHBondContact O-N 3.32Å
99L81.7Confident86.1Confident70 Ų7087.7 Ų87.737%0.36643%0.432SS..Hα-helixtrans-52.7-48-174.8-178.759.6000113.4R101 L102 I103 M118 A121L99-R101 VanDerWaalsContact C-N 3.27Å; L99-R101 PolarHBondContact O-N 2.76Å; L99-L102 PolarHBondContact O-N 3.05Å; L99-I103 HydrophobicContact CD1-CD1 3.8Å; L99-I103 HydrophobicContact CD1-CG1 4.1Å; L99-I103 HydrophobicContact CG-CD1 3.78Å; L99-I103 HydrophobicContact CG-CG1 4.47Å; L99-I103 VanDerWaalsContact O-CG1 3.28Å; L99-I103 WeakPolarHBondContact O-CG1 3.35Å; L99-I103 PolarHBondContact O-N 2.99Å; L99-M118 HydrophobicContact CB-SD 4.31Å; L99-M118 HydrophobicContact CD2-CE 4.29Å; L99-M118 HydrophobicContact CD2-SD 3.83Å; L99-M118 HydrophobicContact CG-SD 3.97Å; L99-A121 HydrophobicContact CD2-CB 3.4Å; L99-A121 VanDerWaalsContact CD2-CB 3.4Å
100Q84.4Confident86Confident50 Ų5088.9 Ų88.923%0.23443%0.43CS..Hα-helixtrans-59.2-37.8177.7-173.5-175121.400112.5V98 K104 L114 M118V98-Q100 PolarHBondContact O-N 3.13Å; Q100-K104 HydrophobicContact CG-CD 4.17Å; Q100-K104 WeakPolarHBondContact O-CB 3.5Å; Q100-K104 VanDerWaalsContact O-CG 3.29Å; Q100-K104 WeakPolarHBondContact O-CG 3.38Å; Q100-K104 PolarHBondContact O-N 3.23Å; Q100-K104 VanDerWaalsContact O-N 3.11Å; Q100-L114 HydrophobicContact CB-CD1 4.29Å; Q100-L114 HydrophobicContact CG-CD1 3.83Å; Q100-L114 HydrophobicContact CG-CD2 3.93Å; Q100-L114 HydrophobicContact CG-CG 4.5Å; Q100-M118 HydrophobicContact CB-SD 4.33Å
101R85.1Confident86Confident156 Ų15683.3 Ų83.359%0.58941%0.413SS*.Hα-helixtrans-71.2-41.5178.9-65.3-178.6174.3135.9-14.9111.1E97 V98 L99 K104 S105E97-R101 PolarHBondContact O-NH1 3.42Å; V98-R101 WeakPolarHBondContact O-CA 3.46Å; V98-R101 WeakPolarHBondContact O-CB 3.35Å; V98-R101 PolarHBondContact O-N 3.35Å; L99-R101 VanDerWaalsContact C-N 3.27Å; L99-R101 PolarHBondContact O-N 2.76Å; R101-K104 PolarHBondContact O-N 2.67Å; R101-S105 WeakPolarHBondContact O-CB 3.42Å; R101-S105 PolarHBondContact O-N 3.15Å; R101-S105 PolarHBondContact O-OG 2.71Å
102L86.6Confident86.2Confident98 Ų9887 Ų8751%0.51343%0.426SS..Hα-helixtrans-60.9-44.6174.4-66.9176.4000112V98 L99 K104 S105 R106V98-L102 HydrophobicContact CG1-CD1 3.83Å; V98-L102 HydrophobicContact CG1-CG 4.07Å; V98-L102 PolarHBondContact O-N 3.32Å; L99-L102 PolarHBondContact O-N 3.05Å; L102-K104 VanDerWaalsContact C-N 3.34Å; L102-K104 PolarHBondContact O-N 3.27Å; L102-S105 PolarHBondContact O-N 3.44Å; L102-S105 PolarHBondContact O-OG 3.07Å; L102-R106 WeakPolarHBondContact O-CG 3.47Å; L102-R106 PolarHBondContact O-N 3.08Å; L102-R106 VanDerWaalsContact O-N 3.14Å
103I88.8Confident86.5Confident8 Ų884.5 Ų84.54%0.04142%0.415CS..Hα-helixtrans-64.3-40.7178.2-63.7167.6000110.9L99 Q110 L114 Q117L99-I103 HydrophobicContact CD1-CD1 3.8Å; L99-I103 HydrophobicContact CD1-CG1 4.1Å; L99-I103 HydrophobicContact CG-CD1 3.78Å; L99-I103 HydrophobicContact CG-CG1 4.47Å; L99-I103 VanDerWaalsContact O-CG1 3.28Å; L99-I103 WeakPolarHBondContact O-CG1 3.35Å; L99-I103 PolarHBondContact O-N 2.99Å; I103-Q110 HydrophobicContact CG2-CB 4.32Å; I103-L114 HydrophobicContact CB-CD1 3.99Å; I103-L114 HydrophobicContact CD1-CD1 3.71Å; I103-L114 HydrophobicContact CG1-CD1 4.46Å; I103-L114 HydrophobicContact CG2-CB 4.09Å; I103-L114 HydrophobicContact CG2-CD1 3.91Å; I103-Q117 HydrophobicContact CD1-CB 3.7Å; I103-Q117 VanDerWaalsContact CD1-OE1 3.27Å; I103-Q117 VanDerWaalsContact CG1-OE1 3.27Å
104K89.5Confident86.6Confident111 Ų11183.9 Ų83.948%0.48341%0.412SS..Hα-helixtrans-67.9-40.6176.6-75.1173.8173.6178.70112.5Q100 R101 L102 R106 G107Q100-K104 HydrophobicContact CG-CD 4.17Å; Q100-K104 WeakPolarHBondContact O-CB 3.5Å; Q100-K104 VanDerWaalsContact O-CG 3.29Å; Q100-K104 WeakPolarHBondContact O-CG 3.38Å; Q100-K104 PolarHBondContact O-N 3.23Å; Q100-K104 VanDerWaalsContact O-N 3.11Å; R101-K104 PolarHBondContact O-N 2.67Å; L102-K104 VanDerWaalsContact C-N 3.34Å; L102-K104 PolarHBondContact O-N 3.27Å; K104-R106 VanDerWaalsContact C-N 3.3Å; K104-R106 PolarHBondContact O-N 2.78Å; K104-G107 PolarHBondContact O-N 2.95Å; K104-G107 VanDerWaalsContact O-N 3.1Å
105S89.2Confident87Confident94 Ų9484 Ų8466%0.65742%0.418SS*.Hα-helixtrans-69.6-26.4-179.769.70000113.1R101 L102 G107R101-S105 WeakPolarHBondContact O-CB 3.42Å; R101-S105 PolarHBondContact O-N 3.15Å; R101-S105 PolarHBondContact O-OG 2.71Å; L102-S105 PolarHBondContact O-N 3.44Å; L102-S105 PolarHBondContact O-OG 3.07Å; S105-G107 PolarHBondContact O-N 3.47Å
106R91.5Very high87.7Confident195 Ų19587.1 Ų87.174%0.73644%0.436SS*.THydrogen-bonded Turntrans-72.21.5171-62.5-78-83.8-166.8-5.6113.7L102 K104 Q110L102-R106 WeakPolarHBondContact O-CG 3.47Å; L102-R106 PolarHBondContact O-N 3.08Å; L102-R106 VanDerWaalsContact O-N 3.14Å; K104-R106 VanDerWaalsContact C-N 3.3Å; K104-R106 PolarHBondContact O-N 2.78Å; R106-Q110 HydrophobicContact CB-CB 4.07Å; R106-Q110 HydrophobicContact CB-CG 3.91Å
107G94Very high88.6Confident29 Ų2986.8 Ų86.830%0.29944%0.436SS..  trans94.7175.9165.100000115.7K104 S105 S109 Q110 A111K104-G107 PolarHBondContact O-N 2.95Å; K104-G107 VanDerWaalsContact O-N 3.1Å; S105-G107 PolarHBondContact O-N 3.47Å; G107-S109 PolarHBondContact O-N 2.82Å; G107-S109 VanDerWaalsContact O-N 3.12Å; G107-Q110 PolarHBondContact O-N 3.26Å; G107-A111 PolarHBondContact O-N 3.45Å
108K90.9Very high89.4Confident197 Ų19786.7 Ų86.786%0.85744%0.436SS*.Hα-helixtrans-56.6-31.9-171.5-65.3-177.4179.8179.40113.9Q110 K112K108-Q110 VanDerWaalsContact C-N 3.33Å; K108-Q110 PolarHBondContact O-N 2.94Å; K108-K112 PolarHBondContact O-N 3.14Å
109S93.7Very high90Very high82 Ų8288.8 Ų88.857%0.57345%0.449SS*.Hα-helixtrans-69.2-25.5177.749.20000113.8G107 K112G107-S109 PolarHBondContact O-N 2.82Å; G107-S109 VanDerWaalsContact O-N 3.12Å; S109-K112 WeakPolarHBondContact O-CE 3.38Å; S109-K112 WeakPolarHBondContact O-CG 3.23Å
110Q92.8Very high90.3Very high71 Ų7188 Ų8833%0.33245%0.452SS..Hα-helixtrans-93-38.5171.2-74.6-68.1-3.800111.7I103 R106 G107 K108 K112 H113I103-Q110 HydrophobicContact CG2-CB 4.32Å; R106-Q110 HydrophobicContact CB-CB 4.07Å; R106-Q110 HydrophobicContact CB-CG 3.91Å; G107-Q110 PolarHBondContact O-N 3.26Å; K108-Q110 VanDerWaalsContact C-N 3.33Å; K108-Q110 PolarHBondContact O-N 2.94Å; Q110-K112 PolarHBondContact O-N 3.23Å; Q110-K112 VanDerWaalsContact O-N 3.13Å; Q110-H113 WeakPolarHBondContact O-CA 3.35Å; Q110-H113 PolarHBondContact O-N 3.28Å
111A91.3Very high90.3Very high41 Ų4187.1 Ų87.134%0.33945%0.453SS..Hα-helixtrans-55.8-33179.400000113.7G107 H113 L114G107-A111 PolarHBondContact O-N 3.45Å; A111-H113 PolarHBondContact O-N 3.04Å; A111-L114 VanDerWaalsContact O-CB 3.28Å; A111-L114 WeakPolarHBondContact O-CB 3.28Å; A111-L114 PolarHBondContact O-N 3.33Å
112K92.9Very high90.3Very high149 Ų14983.5 Ų83.565%0.64845%0.446SS*.THydrogen-bonded Turntrans-60.5-19.4172.857.2153.8175.9153.60114.7K108 S109 Q110K108-K112 PolarHBondContact O-N 3.14Å; S109-K112 WeakPolarHBondContact O-CE 3.38Å; S109-K112 WeakPolarHBondContact O-CG 3.23Å; Q110-K112 PolarHBondContact O-N 3.23Å; Q110-K112 VanDerWaalsContact O-N 3.13Å
113H90.6Very high90.3Very high80 Ų8085.4 Ų85.437%0.3745%0.45SS..THydrogen-bonded Turntrans-110.410.6-179.8-64.3-51.1000113Q110 A111 N115 V116 Q117Q110-H113 WeakPolarHBondContact O-CA 3.35Å; Q110-H113 PolarHBondContact O-N 3.28Å; A111-H113 PolarHBondContact O-N 3.04Å; H113-N115 VanDerWaalsContact C-N 3.35Å; H113-N115 PolarHBondContact O-N 3.37Å; H113-V116 HydrophobicContact CB-CG1 4.06Å; H113-V116 WeakPolarHBondContact O-CG1 3.5Å; H113-V116 PolarHBondContact O-N 3Å; H113-Q117 PolarHBondContact O-N 2.86Å
114L89.3Confident90.3Very high22 Ų2290.1 Ų90.112%0.11548%0.475CS..Hα-helixtrans-52-47.9-178.4172.260.6000113.3Q100 I103 A111 V116 Q117 M118Q100-L114 HydrophobicContact CB-CD1 4.29Å; Q100-L114 HydrophobicContact CG-CD1 3.83Å; Q100-L114 HydrophobicContact CG-CD2 3.93Å; Q100-L114 HydrophobicContact CG-CG 4.5Å; I103-L114 HydrophobicContact CB-CD1 3.99Å; I103-L114 HydrophobicContact CD1-CD1 3.71Å; I103-L114 HydrophobicContact CG1-CD1 4.46Å; I103-L114 HydrophobicContact CG2-CB 4.09Å; I103-L114 HydrophobicContact CG2-CD1 3.91Å; A111-L114 VanDerWaalsContact O-CB 3.28Å; A111-L114 WeakPolarHBondContact O-CB 3.28Å; A111-L114 PolarHBondContact O-N 3.33Å; L114-V116 PolarHBondContact O-N 3.37Å; L114-Q117 PolarHBondContact O-N 2.93Å; L114-M118 HydrophobicContact CD1-CG 3.78Å; L114-M118 HydrophobicContact CD1-SD 4.35Å; L114-M118 HydrophobicContact CG-CG 4.38Å; L114-M118 WeakPolarHBondContact O-CG 3.19Å; L114-M118 PolarHBondContact O-N 3.2Å
115N90.8Very high89.9Confident129 Ų12989 Ų8969%0.6949%0.486SS*.Hα-helixtrans-65.9-37.4-173.9-66.5-8.6000112.9H113 V119H113-N115 VanDerWaalsContact C-N 3.35Å; H113-N115 PolarHBondContact O-N 3.37Å; N115-V119 VanDerWaalsContact O-CG2 3.31Å; N115-V119 WeakPolarHBondContact O-CG2 3.45Å; N115-V119 PolarHBondContact O-N 3.11Å
116V95.3Very high89.6Confident95 Ų9591.9 Ų91.958%0.57649%0.489SS*.Hα-helixtrans-73.1-36178.358.30000111.6H113 L114 V119 A120H113-V116 HydrophobicContact CB-CG1 4.06Å; H113-V116 WeakPolarHBondContact O-CG1 3.5Å; H113-V116 PolarHBondContact O-N 3Å; L114-V116 PolarHBondContact O-N 3.37Å; V116-V119 PolarHBondContact O-N 3.1Å; V116-A120 WeakPolarHBondContact O-CB 3.43Å; V116-A120 PolarHBondContact O-N 3.23Å
117Q91.9Very high89.4Confident64 Ų6484.9 Ų84.930%0.29947%0.469SS..Hα-helixtrans-68-40.1174.8-67.1176.925.300111.7I103 H113 L114 A120 A121I103-Q117 HydrophobicContact CD1-CB 3.7Å; I103-Q117 VanDerWaalsContact CD1-OE1 3.27Å; I103-Q117 VanDerWaalsContact CG1-OE1 3.27Å; H113-Q117 PolarHBondContact O-N 2.86Å; L114-Q117 PolarHBondContact O-N 2.93Å; Q117-A120 PolarHBondContact O-N 3.46Å; Q117-A121 PolarHBondContact O-N 2.91Å
118M90.9Very high89.1Confident42 Ų4287 Ų8721%0.20748%0.477CS..Hα-helixtrans-62.5-47.1172.8-72.7-56-40.500112.2L99 Q100 L114 A120 A121 D122L99-M118 HydrophobicContact CB-SD 4.31Å; L99-M118 HydrophobicContact CD2-CE 4.29Å; L99-M118 HydrophobicContact CD2-SD 3.83Å; L99-M118 HydrophobicContact CG-SD 3.97Å; Q100-M118 HydrophobicContact CB-SD 4.33Å; L114-M118 HydrophobicContact CD1-CG 3.78Å; L114-M118 HydrophobicContact CD1-SD 4.35Å; L114-M118 HydrophobicContact CG-CG 4.38Å; L114-M118 WeakPolarHBondContact O-CG 3.19Å; L114-M118 PolarHBondContact O-N 3.2Å; M118-A120 VanDerWaalsContact C-N 3.27Å; M118-A120 PolarHBondContact O-N 3.02Å; M118-A121 PolarHBondContact O-N 3.4Å; M118-D122 WeakPolarHBondContact O-CB 3.39Å; M118-D122 PolarHBondContact O-N 2.88Å
119V89.8Confident88.7Confident82 Ų8281.6 Ų81.650%0.49746%0.463SS..Hα-helixtrans-64.5-30.8178.9169.70000112.3N115 V116 K123N115-V119 VanDerWaalsContact O-CG2 3.31Å; N115-V119 WeakPolarHBondContact O-CG2 3.45Å; N115-V119 PolarHBondContact O-N 3.11Å; V116-V119 PolarHBondContact O-N 3.1Å; V119-K123 WeakPolarHBondContact O-CB 3.29Å; V119-K123 VanDerWaalsContact O-CG 3.31Å; V119-K123 WeakPolarHBondContact O-CG 3.43Å; V119-K123 PolarHBondContact O-N 3.12Å; V119-K123 VanDerWaalsContact O-N 3.16Å
120A87.4Confident88.4Confident52 Ų5286.5 Ų86.543%0.4348%0.477SS..Hα-helixtrans-68.5-45.4172.800000112V116 Q117 M118 K123 L124V116-A120 WeakPolarHBondContact O-CB 3.43Å; V116-A120 PolarHBondContact O-N 3.23Å; Q117-A120 PolarHBondContact O-N 3.46Å; M118-A120 VanDerWaalsContact C-N 3.27Å; M118-A120 PolarHBondContact O-N 3.02Å; A120-K123 PolarHBondContact O-N 3.39Å; A120-L124 PolarHBondContact O-N 3.44Å; A120-L124 VanDerWaalsContact O-N 3.12Å
121A85.1Confident88.4Confident33 Ų3388.8 Ų88.827%0.27349%0.49SS..Hα-helixtrans-65.2-45.3176.600000112.3L99 Q117 M118 K123 L124 A125L99-A121 HydrophobicContact CD2-CB 3.4Å; L99-A121 VanDerWaalsContact CD2-CB 3.4Å; Q117-A121 PolarHBondContact O-N 2.91Å; M118-A121 PolarHBondContact O-N 3.4Å; A121-K123 PolarHBondContact O-N 3.22Å; A121-L124 PolarHBondContact O-N 2.9Å; A121-L124 VanDerWaalsContact O-N 3.15Å; A121-A125 PolarHBondContact O-N 3.15Å
122D84.3Confident88.4Confident80 Ų8090.5 Ų90.543%0.42849%0.491SS..Hα-helixtrans-59.5-33.5176.1-72.8-13.4000111.3M118 Q126M118-D122 WeakPolarHBondContact O-CB 3.39Å; M118-D122 PolarHBondContact O-N 2.88Å; D122-Q126 WeakPolarHBondContact O-CG 3.4Å; D122-Q126 PolarHBondContact O-N 3.37Å; D122-Q126 PolarHBondContact O-NE2 3.44Å
123K87Confident88.4Confident138 Ų13890.1 Ų90.160%0.650%0.496SS*.Hα-helixtrans-69.8-43.9174.3-83.7-178.4173.8-168.30112.9V119 A120 A121 A125 Q126 C127V119-K123 WeakPolarHBondContact O-CB 3.29Å; V119-K123 VanDerWaalsContact O-CG 3.31Å; V119-K123 WeakPolarHBondContact O-CG 3.43Å; V119-K123 PolarHBondContact O-N 3.12Å; V119-K123 VanDerWaalsContact O-N 3.16Å; A120-K123 PolarHBondContact O-N 3.39Å; A121-K123 PolarHBondContact O-N 3.22Å; K123-A125 VanDerWaalsContact C-N 3.3Å; K123-A125 PolarHBondContact O-N 2.96Å; K123-Q126 WeakPolarHBondContact O-CB 3.33Å; K123-Q126 PolarHBondContact O-N 3.08Å; K123-Q126 VanDerWaalsContact O-N 3.08Å; K123-C127 PolarHBondContact O-N 3.02Å
124L87.3Confident88.5Confident107 Ų10788.5 Ų88.556%0.5649%0.491SS*.Hα-helixtrans-62.3-40.1175.9-69.3170.4000111A120 A121 Q126 C127 F132A120-L124 PolarHBondContact O-N 3.44Å; A120-L124 VanDerWaalsContact O-N 3.12Å; A121-L124 PolarHBondContact O-N 2.9Å; A121-L124 VanDerWaalsContact O-N 3.15Å; L124-Q126 PolarHBondContact O-N 3.32Å; L124-C127 WeakPolarHBondContact O-CB 3.28Å; L124-C127 PolarHBondContact O-N 2.98Å; L124-C127 VanDerWaalsContact O-N 3.14Å; L124-F132 HydrophobicContact CD2-CE1 4.31Å; L124-F132 HydrophobicContact CD2-CZ 4.22Å
125A82Confident88.6Confident86 Ų8691.4 Ų91.471%0.71151%0.506SS*.THydrogen-bonded Turntrans-70.4-8174.200000114.7A121 K123A121-A125 PolarHBondContact O-N 3.15Å; K123-A125 VanDerWaalsContact C-N 3.3Å; K123-A125 PolarHBondContact O-N 2.96Å
126Q83.4Confident88.7Confident155 Ų15589.1 Ų89.172%0.72449%0.493SS*.THydrogen-bonded Turntrans-98-11.5171.2-80.3166.181.300112.9D122 K123 L124D122-Q126 WeakPolarHBondContact O-CG 3.4Å; D122-Q126 PolarHBondContact O-N 3.37Å; D122-Q126 PolarHBondContact O-NE2 3.44Å; K123-Q126 WeakPolarHBondContact O-CB 3.33Å; K123-Q126 PolarHBondContact O-N 3.08Å; K123-Q126 VanDerWaalsContact O-N 3.08Å; L124-Q126 PolarHBondContact O-N 3.32Å
127C86.2Confident88.4Confident48 Ų4891.4 Ų91.432%0.32450%0.502SS..SBendtrans-72.4142.1169.1-66.90000109.6K123 L124 L131 F132K123-C127 PolarHBondContact O-N 3.02Å; L124-C127 WeakPolarHBondContact O-CB 3.28Å; L124-C127 PolarHBondContact O-N 2.98Å; L124-C127 VanDerWaalsContact O-N 3.14Å; C127-L131 HydrophobicContact CB-CD2 4.34Å; C127-F132 HydrophobicContact CB-CE2 3.69Å; C127-F132 HydrophobicContact CB-CZ 3.7Å
128P89.1Confident88.3Confident73 Ų7391 Ų9147%0.47450%0.5SS..  trans-63.7142.217228-33.3000109.7E130 L131P128-E130 PolarHBondContact O-N 3.19Å; P128-L131 HydrophobicContact CG-CB 4.33Å; P128-L131 WeakPolarHBondContact O-CB 3.37Å; P128-L131 PolarHBondContact O-N 3.04Å; P128-L131 VanDerWaalsContact O-N 3.08Å
129P80.8Confident87.8Confident85 Ų8594 Ų9455%0.55252%0.518SS*.G310 helixtrans-61.4-28.3-179.124.8-33.8000112.3L131 F132 I135P129-L131 PolarHBondContact O-N 3.14Å; P129-F132 PolarHBondContact O-N 3.25Å; P129-I135 HydrophobicContact CB-CD1 3.61Å
130E88.4Confident87.7Confident185 Ų18595.1 Ų95.186%0.86452%0.517SS*.G310 helixtrans-60-9.1174.9-58.4174.8177.900114.6P128P128-E130 PolarHBondContact O-N 3.19Å
131L91.8Very high87.5Confident118 Ų11898.6 Ų98.662%0.61853%0.528SS*.G310 helixtrans-88.2-7.4175-169.359.9000113.3C127 P128 P129C127-L131 HydrophobicContact CB-CD2 4.34Å; P128-L131 HydrophobicContact CG-CB 4.33Å; P128-L131 WeakPolarHBondContact O-CB 3.37Å; P128-L131 PolarHBondContact O-N 3.04Å; P128-L131 VanDerWaalsContact O-N 3.08Å; P129-L131 PolarHBondContact O-N 3.14Å
132F92.6Very high87.7Confident78 Ų78103.1 Ų103.134%0.34254%0.543SS..  trans-117.7125.6-177.5-53.2-79.2000110.4L124 C127 P129 V134 I135L124-F132 HydrophobicContact CD2-CE1 4.31Å; L124-F132 HydrophobicContact CD2-CZ 4.22Å; C127-F132 HydrophobicContact CB-CE2 3.69Å; C127-F132 HydrophobicContact CB-CZ 3.7Å; P129-F132 PolarHBondContact O-N 3.25Å; F132-V134 VanDerWaalsContact C-N 3.25Å; F132-V134 PolarHBondContact O-N 3.26Å; F132-I135 HydrophobicContact CB-CD1 4.32Å; F132-I135 HydrophobicContact CB-CG1 3.86Å; F132-I135 HydrophobicContact CD2-CD1 4.25Å; F132-I135 HydrophobicContact CD2-CG1 4.47Å; F132-I135 HydrophobicContact CG-CG1 4.46Å
133D91.6Very high88.1Confident141 Ų141103.2 Ų103.275%0.75454%0.544SS*.SBendtrans-67.5-27179.3-50.3-80.7000112.8Y151D133-Y151 WeakPolarHBondContact O-CE2 2.97Å
134V93.4Very high88Confident46 Ų4697.5 Ų97.528%0.27952%0.523SS..  trans-140.9138.5176.5-170.40000109F132 L136 Y151F132-V134 VanDerWaalsContact C-N 3.25Å; F132-V134 PolarHBondContact O-N 3.26Å; V134-L136 HydrophobicContact CG1-CD2 3.95Å; V134-L136 HydrophobicContact CG1-CG 4.26Å; V134-Y151 HydrophobicContact CG2-CD1 3.32Å; V134-Y151 HydrophobicContact CG2-CD2 3.72Å; V134-Y151 HydrophobicContact CG2-CE1 3.44Å; V134-Y151 VanDerWaalsContact CG2-CE1 3.44Å; V134-Y151 HydrophobicContact CG2-CE2 3.82Å; V134-Y151 HydrophobicContact CG2-CG 3.48Å; V134-Y151 VanDerWaalsContact CG2-CG 3.48Å
135I91.8Very high88.4Confident83 Ų8395.8 Ų95.843%0.42652%0.518SS..  trans-127.3123.7170.1-58.8176.9000107P129 F132 H147P129-I135 HydrophobicContact CB-CD1 3.61Å; F132-I135 HydrophobicContact CB-CD1 4.32Å; F132-I135 HydrophobicContact CB-CG1 3.86Å; F132-I135 HydrophobicContact CD2-CD1 4.25Å; F132-I135 HydrophobicContact CD2-CG1 4.47Å; F132-I135 HydrophobicContact CG-CG1 4.46Å; I135-H147 PolarHBondContact O-CE1 3.33Å
136L92.4Very high89.1Confident80 Ų8098 Ų9842%0.41951%0.514SS..  trans-106.1114.5174.3-57.6178.5000108.1V134 E138 H147 L148V134-L136 HydrophobicContact CG1-CD2 3.95Å; V134-L136 HydrophobicContact CG1-CG 4.26Å; L136-E138 VanDerWaalsContact CA-OE2 3.23Å; L136-E138 WeakPolarHBondContact CA-OE2 3.41Å; L136-E138 WeakPolarHBondContact CB-OE2 3.43Å; L136-H147 HydrophobicContact CD2-CB 4.06Å; L136-L148 HydrophobicContact CD1-CB 4.45Å; L136-L148 HydrophobicContact CD2-CB 4.47Å
137D89Confident89.8Confident143 Ų14394.1 Ų94.177%0.76550%0.496SS*.  trans-115.64.8175.876.8-18000113.2
138E90.1Very high90.3Very high55 Ų5595.3 Ų95.326%0.25750%0.499SS..  trans-69.9138.4-179.3-52.376.7-171.200111.9L136 D143 A144 H147L136-E138 VanDerWaalsContact CA-OE2 3.23Å; L136-E138 WeakPolarHBondContact CA-OE2 3.41Å; L136-E138 WeakPolarHBondContact CB-OE2 3.43Å; E138-D143 HydrophobicContact CB-CB 3.86Å; E138-D143 HydrophobicContact CG-CB 3.93Å; E138-A144 HydrophobicContact CB-CB 4.09Å; E138-H147 IonicContact OE1-CE1 2.71Å; E138-H147 IonicContact OE1-CG 3.87Å; E138-H147 IonicContact OE1-ND1 2.73Å; E138-H147 PolarHBondContact OE1-ND1 2.91Å
139N80.8Confident90.6Very high107 Ų10794.5 Ų94.557%0.57250%0.498SS*.SBendtrans-88.7-15-178.8-177.296.7000113.3
140Q87Confident91.4Very high105 Ų10595.6 Ų95.649%0.49150%0.499SS..SBendtrans-99.1153.6175.4-49.7-62.68.400110.9D143 A144Q140-D143 HydrophobicContact CB-CB 4.32Å; Q140-D143 WeakPolarHBondContact CB-OD2 3.16Å; Q140-D143 WeakPolarHBondContact CG-OD2 3.5Å; Q140-A144 WeakPolarHBondContact O-CB 3.31Å; Q140-A144 PolarHBondContact O-N 3.32Å
141L84.1Confident91.8Very high124 Ų12490.3 Ų90.365%0.64947%0.472SS*.Hα-helixtrans-70-40.3178176.962.2000110.9C145L141-C145 VanDerWaalsContact O-CB 3.28Å; L141-C145 WeakPolarHBondContact O-CB 3.28Å; L141-C145 PolarHBondContact O-N 3.19Å; L141-C145 PolarHBondContact O-SG 3.33Å; L141-C145 VanDerWaalsContact O-SG 3.32Å
142E89.6Confident92.1Very high128 Ų12889.1 Ų89.160%0.59847%0.466SS*.Hα-helixtrans-61.8-55.8-177.8-66.169.7-159.200110.6A144 C145 E146E142-A144 PolarHBondContact O-N 3.16Å; E142-C145 PolarHBondContact O-N 3.06Å; E142-C145 VanDerWaalsContact O-N 3.15Å; E142-E146 PolarHBondContact O-N 3.4Å
143D90.7Very high92.2Very high82 Ų8290.3 Ų90.344%0.43947%0.473SS..Hα-helixtrans-56.6-46.7178.3-49-10.5000111.8E138 Q140 C145 E146 H147E138-D143 HydrophobicContact CB-CB 3.86Å; E138-D143 HydrophobicContact CG-CB 3.93Å; Q140-D143 HydrophobicContact CB-CB 4.32Å; Q140-D143 WeakPolarHBondContact CB-OD2 3.16Å; Q140-D143 WeakPolarHBondContact CG-OD2 3.5Å; D143-C145 VanDerWaalsContact C-N 3.34Å; D143-C145 PolarHBondContact O-N 3.15Å; D143-E146 PolarHBondContact O-N 3.12Å; D143-H147 PolarHBondContact O-N 3.26Å; D143-H147 VanDerWaalsContact O-N 3.07Å
144A86.3Confident92.4Very high19 Ų1986.3 Ų86.316%0.15746%0.459CS..Hα-helixtrans-65.3-34.6178.300000112.9E138 Q140 E142 L148E138-A144 HydrophobicContact CB-CB 4.09Å; Q140-A144 WeakPolarHBondContact O-CB 3.31Å; Q140-A144 PolarHBondContact O-N 3.32Å; E142-A144 PolarHBondContact O-N 3.16Å; A144-L148 WeakPolarHBondContact O-CB 3.31Å; A144-L148 PolarHBondContact O-N 3.21Å
145C96.2Very high92.6Very high70 Ų7090.5 Ų90.547%0.47347%0.471SS..Hα-helixtrans-73.9-34.1175.2-790000112.4L141 E142 D143 A149L141-C145 VanDerWaalsContact O-CB 3.28Å; L141-C145 WeakPolarHBondContact O-CB 3.28Å; L141-C145 PolarHBondContact O-N 3.19Å; L141-C145 PolarHBondContact O-SG 3.33Å; L141-C145 VanDerWaalsContact O-SG 3.32Å; E142-C145 PolarHBondContact O-N 3.06Å; E142-C145 VanDerWaalsContact O-N 3.15Å; D143-C145 VanDerWaalsContact C-N 3.34Å; D143-C145 PolarHBondContact O-N 3.15Å; C145-A149 VanDerWaalsContact O-CB 3.29Å; C145-A149 WeakPolarHBondContact O-CB 3.48Å; C145-A149 PolarHBondContact O-N 3.43Å
146E96.9Very high92.8Very high133 Ų13394.1 Ų94.162%0.62148%0.479SS*.Hα-helixtrans-65.4-50.1175.3-172.2166.1-142.500110.8E142 D143 L148 A149 D150E142-E146 PolarHBondContact O-N 3.4Å; D143-E146 PolarHBondContact O-N 3.12Å; E146-L148 PolarHBondContact O-N 3.02Å; E146-A149 PolarHBondContact O-N 3.48Å; E146-A149 VanDerWaalsContact O-N 3.12Å; E146-D150 PolarHBondContact O-N 3.41Å
147H96.4Very high92.9Very high74 Ų7496.2 Ų96.234%0.34349%0.485SS..Hα-helixtrans-58.9-44.2176.1-177.6-174.8000112.3I135 L136 E138 D143 A149 D150 Y151I135-H147 PolarHBondContact O-CE1 3.33Å; L136-H147 HydrophobicContact CD2-CB 4.06Å; E138-H147 IonicContact OE1-CE1 2.71Å; E138-H147 IonicContact OE1-CG 3.87Å; E138-H147 IonicContact OE1-ND1 2.73Å; E138-H147 PolarHBondContact OE1-ND1 2.91Å; D143-H147 PolarHBondContact O-N 3.26Å; D143-H147 VanDerWaalsContact O-N 3.07Å; H147-A149 VanDerWaalsContact C-N 3.33Å; H147-A149 PolarHBondContact O-N 3.03Å; H147-D150 PolarHBondContact O-N 3.28Å; H147-Y151 PolarHBondContact O-N 2.86Å
148L96.7Very high93.2Very high72 Ų7293.4 Ų93.438%0.37748%0.481SS..Hα-helixtrans-64-36.9176.2-177.660.7000112.5L136 A144 E146 L152L136-L148 HydrophobicContact CD1-CB 4.45Å; L136-L148 HydrophobicContact CD2-CB 4.47Å; A144-L148 WeakPolarHBondContact O-CB 3.31Å; A144-L148 PolarHBondContact O-N 3.21Å; E146-L148 PolarHBondContact O-N 3.02Å; L148-L152 HydrophobicContact CD1-CD1 4.16Å; L148-L152 HydrophobicContact CD1-CG 4.4Å; L148-L152 HydrophobicContact CG-CD1 4.14Å; L148-L152 WeakPolarHBondContact O-CB 3.4Å; L148-L152 VanDerWaalsContact O-CG 3.24Å; L148-L152 WeakPolarHBondContact O-CG 3.48Å; L148-L152 PolarHBondContact O-N 2.98Å; L148-L152 VanDerWaalsContact O-N 3.15Å
149A96.3Very high93.4Very high57 Ų5793.7 Ų93.747%0.47149%0.487SS..Hα-helixtrans-68.6-46.3176.700000111.9C145 E146 H147 Y151 L152 E153C145-A149 VanDerWaalsContact O-CB 3.29Å; C145-A149 WeakPolarHBondContact O-CB 3.48Å; C145-A149 PolarHBondContact O-N 3.43Å; E146-A149 PolarHBondContact O-N 3.48Å; E146-A149 VanDerWaalsContact O-N 3.12Å; H147-A149 VanDerWaalsContact C-N 3.33Å; H147-A149 PolarHBondContact O-N 3.03Å; A149-Y151 PolarHBondContact O-N 3.13Å; A149-L152 PolarHBondContact O-N 3.12Å; A149-E153 PolarHBondContact O-N 3.17Å
150D97.6Very high93.8Very high107 Ų10792.3 Ų92.357%0.57248%0.477SS*.Hα-helixtrans-59.9-44.1177.8-98.42.7000111.8E146 H147 E153 A154E146-D150 PolarHBondContact O-N 3.41Å; H147-D150 PolarHBondContact O-N 3.28Å; D150-E153 PolarHBondContact O-N 3.31Å; D150-A154 WeakPolarHBondContact O-CB 3.44Å; D150-A154 PolarHBondContact O-N 2.95Å
151Y97.5Very high93.6Very high74 Ų7490.4 Ų90.429%0.2947%0.474SS..Hα-helixtrans-59.6-48.1174.3176.1-92.1000111.6D133 V134 H147 A149 E153 A154 Y155D133-Y151 WeakPolarHBondContact O-CE2 2.97Å; V134-Y151 HydrophobicContact CG2-CD1 3.32Å; V134-Y151 HydrophobicContact CG2-CD2 3.72Å; V134-Y151 HydrophobicContact CG2-CE1 3.44Å; V134-Y151 VanDerWaalsContact CG2-CE1 3.44Å; V134-Y151 HydrophobicContact CG2-CE2 3.82Å; V134-Y151 HydrophobicContact CG2-CG 3.48Å; V134-Y151 VanDerWaalsContact CG2-CG 3.48Å; H147-Y151 PolarHBondContact O-N 2.86Å; A149-Y151 PolarHBondContact O-N 3.13Å; Y151-E153 PolarHBondContact O-N 3.32Å; Y151-A154 PolarHBondContact O-N 3.17Å; Y151-Y155 WeakPolarHBondContact O-CB 3.37Å; Y151-Y155 PolarHBondContact O-N 3.35Å
152L97.1Very high93.1Very high93 Ų9390.2 Ų90.249%0.48748%0.48SS..Hα-helixtrans-67.6-34-179-71.2172.8000112.3L148 A149 W156L148-L152 HydrophobicContact CD1-CD1 4.16Å; L148-L152 HydrophobicContact CD1-CG 4.4Å; L148-L152 HydrophobicContact CG-CD1 4.14Å; L148-L152 WeakPolarHBondContact O-CB 3.4Å; L148-L152 VanDerWaalsContact O-CG 3.24Å; L148-L152 WeakPolarHBondContact O-CG 3.48Å; L148-L152 PolarHBondContact O-N 2.98Å; L148-L152 VanDerWaalsContact O-N 3.15Å; A149-L152 PolarHBondContact O-N 3.12Å; L152-W156 VanDerWaalsContact O-CB 3.24Å; L152-W156 WeakPolarHBondContact O-CB 3.23Å; L152-W156 PolarHBondContact O-N 3.19Å
153E95.5Very high92Very high104 Ų10488.6 Ų88.649%0.48648%0.483SS..Hα-helixtrans-72.3-36.8174.7-159.2-176.3135.300111.6A149 D150 Y151 W156 K157A149-E153 PolarHBondContact O-N 3.17Å; D150-E153 PolarHBondContact O-N 3.31Å; Y151-E153 PolarHBondContact O-N 3.32Å; E153-W156 PolarHBondContact O-N 2.75Å; E153-K157 VanDerWaalsContact CD-NZ 3.34Å; E153-K157 HydrophobicContact CG-CD 4.42Å; E153-K157 WeakPolarHBondContact O-CB 3.24Å; E153-K157 WeakPolarHBondContact O-CD 3.29Å; E153-K157 VanDerWaalsContact O-CG 3.23Å; E153-K157 WeakPolarHBondContact O-CG 3.45Å; E153-K157 PolarHBondContact O-N 2.9Å; E153-K157 WeakPolarHBondContact OE1-CE 3.36Å; E153-K157 IonicContact OE1-NZ 2.67Å; E153-K157 PolarHBondContact OE1-NZ 2.87Å
154A96.1Very high90.5Very high57 Ų5788.3 Ų88.347%0.47149%0.487SS..Hα-helixtrans-63.6-4617200000111.7D150 Y151 W156 K157 A158D150-A154 WeakPolarHBondContact O-CB 3.44Å; D150-A154 PolarHBondContact O-N 2.95Å; Y151-A154 PolarHBondContact O-N 3.17Å; A154-W156 VanDerWaalsContact C-N 3.35Å; A154-W156 PolarHBondContact O-N 3.38Å; A154-K157 PolarHBondContact O-N 2.91Å; A154-A158 WeakPolarHBondContact O-CB 3.24Å; A154-A158 PolarHBondContact O-N 3.49Å
155Y96.9Very high89.3Confident134 Ų13491.2 Ų91.253%0.52551%0.506SS..Hα-helixtrans-62.3-40.3174.4-178.2-95000112Y151 A158 T159Y151-Y155 WeakPolarHBondContact O-CB 3.37Å; Y151-Y155 PolarHBondContact O-N 3.35Å; Y155-A158 PolarHBondContact O-N 3.32Å; Y155-T159 HydrophobicContact CD1-CG2 4.35Å; Y155-T159 HydrophobicContact CE1-CG2 3.88Å; Y155-T159 HydrophobicContact CE2-CG2 4.25Å; Y155-T159 WeakPolarHBondContact O-CG2 3.46Å; Y155-T159 PolarHBondContact O-N 2.83Å; Y155-T159 PolarHBondContact O-OG1 2.84Å
156W95.6Very high87.7Confident158 Ų15895.3 Ų95.360%0.59852%0.523SS*.Hα-helixtrans-61.9-47.4174.2-176.3-91.6000111.8L152 E153 A154 A158 T159 H160L152-W156 VanDerWaalsContact O-CB 3.24Å; L152-W156 WeakPolarHBondContact O-CB 3.23Å; L152-W156 PolarHBondContact O-N 3.19Å; E153-W156 PolarHBondContact O-N 2.75Å; A154-W156 VanDerWaalsContact C-N 3.35Å; A154-W156 PolarHBondContact O-N 3.38Å; W156-A158 VanDerWaalsContact C-N 3.3Å; W156-A158 PolarHBondContact O-N 3.48Å; W156-T159 WeakPolarHBondContact CA-OG1 3Å; W156-T159 PolarHBondContact O-N 2.97Å; W156-T159 PolarHBondContact O-OG1 2.6Å; W156-T159 VanDerWaalsContact O-OG1 3.06Å; W156-H160 AromaticContact CD2-CE1 3.77Å; W156-H160 AromaticContact CD2-ND1 3.49Å; W156-H160 AromaticContact CE2-CE1 3.84Å; W156-H160 AromaticContact CE2-CG 3.72Å; W156-H160 AromaticContact CE2-ND1 3.56Å; W156-H160 AromaticContact CE3-CE1 3.51Å; W156-H160 AromaticContact CE3-ND1 3.69Å; W156-H160 AromaticContact CH2-CE1 3.45Å; W156-H160 VanDerWaalsContact CH2-CE1 3.45Å; W156-H160 WeakPolarHBondContact CH2-CE1 3.32Å; W156-H160 AromaticContact CH2-NE2 3.45Å; W156-H160 WeakPolarHBondContact CH2-NE2 3.34Å; W156-H160 AromaticContact CZ2-CD2 3.74Å; W156-H160 AromaticContact CZ2-CE1 3.71Å; W156-H160 AromaticContact CZ2-CG 3.87Å; W156-H160 AromaticContact CZ2-ND1 3.85Å; W156-H160 AromaticContact CZ2-NE2 3.65Å; W156-H160 AromaticContact CZ3-CE1 3.35Å; W156-H160 WeakPolarHBondContact CZ3-CE1 3.27Å; W156-H160 AromaticContact CZ3-ND1 3.96Å; W156-H160 AromaticContact CZ3-NE2 3.83Å; W156-H160 AromaticContact NE1-CG 3.96Å; W156-H160 WeakPolarHBondContact O-CB 3.22Å; W156-H160 PolarHBondContact O-N 3.15Å; W156-H160 PolarHBondContact O-ND1 3.42Å
157K94.1Very high86.2Confident125 Ų12593.8 Ų93.854%0.54353%0.525SS..Hα-helixtrans-60.8-36.2176-73.1161.4-177.3156.90112.7E153 A154E153-K157 VanDerWaalsContact CD-NZ 3.34Å; E153-K157 HydrophobicContact CG-CD 4.42Å; E153-K157 WeakPolarHBondContact O-CB 3.24Å; E153-K157 WeakPolarHBondContact O-CD 3.29Å; E153-K157 VanDerWaalsContact O-CG 3.23Å; E153-K157 WeakPolarHBondContact O-CG 3.45Å; E153-K157 PolarHBondContact O-N 2.9Å; E153-K157 WeakPolarHBondContact OE1-CE 3.36Å; E153-K157 IonicContact OE1-NZ 2.67Å; E153-K157 PolarHBondContact OE1-NZ 2.87Å; A154-K157 PolarHBondContact O-N 2.91Å
158A95Very high84.5Confident83 Ų8394.6 Ų94.669%0.68653%0.531SS*.Hα-helixtrans-71.1-34.9176.500000112.8A154 Y155 W156A154-A158 WeakPolarHBondContact O-CB 3.24Å; A154-A158 PolarHBondContact O-N 3.49Å; Y155-A158 PolarHBondContact O-N 3.32Å; W156-A158 VanDerWaalsContact C-N 3.3Å; W156-A158 PolarHBondContact O-N 3.48Å
159T94.9Very high83.2Confident62 Ų6295.8 Ų95.838%0.3854%0.543SS..Hα-helixtrans-85.9-23.8179.848.70000113.9Y155 W156 P161Y155-T159 HydrophobicContact CD1-CG2 4.35Å; Y155-T159 HydrophobicContact CE1-CG2 3.88Å; Y155-T159 HydrophobicContact CE2-CG2 4.25Å; Y155-T159 WeakPolarHBondContact O-CG2 3.46Å; Y155-T159 PolarHBondContact O-N 2.83Å; Y155-T159 PolarHBondContact O-OG1 2.84Å; W156-T159 WeakPolarHBondContact CA-OG1 3Å; W156-T159 PolarHBondContact O-N 2.97Å; W156-T159 PolarHBondContact O-OG1 2.6Å; W156-T159 VanDerWaalsContact O-OG1 3.06Å; T159-P161 VanDerWaalsContact O-CD 3.27Å; T159-P161 WeakPolarHBondContact O-CD 3.44Å
160H90.4Very high81.5Confident78 Ų7899 Ų9936%0.36155%0.552SS.*SBendtrans-117.279.9-177.5-63.978.2000111.3W156W156-H160 AromaticContact CD2-CE1 3.77Å; W156-H160 AromaticContact CD2-ND1 3.49Å; W156-H160 AromaticContact CE2-CE1 3.84Å; W156-H160 AromaticContact CE2-CG 3.72Å; W156-H160 AromaticContact CE2-ND1 3.56Å; W156-H160 AromaticContact CE3-CE1 3.51Å; W156-H160 AromaticContact CE3-ND1 3.69Å; W156-H160 AromaticContact CH2-CE1 3.45Å; W156-H160 VanDerWaalsContact CH2-CE1 3.45Å; W156-H160 WeakPolarHBondContact CH2-CE1 3.32Å; W156-H160 AromaticContact CH2-NE2 3.45Å; W156-H160 WeakPolarHBondContact CH2-NE2 3.34Å; W156-H160 AromaticContact CZ2-CD2 3.74Å; W156-H160 AromaticContact CZ2-CE1 3.71Å; W156-H160 AromaticContact CZ2-CG 3.87Å; W156-H160 AromaticContact CZ2-ND1 3.85Å; W156-H160 AromaticContact CZ2-NE2 3.65Å; W156-H160 AromaticContact CZ3-CE1 3.35Å; W156-H160 WeakPolarHBondContact CZ3-CE1 3.27Å; W156-H160 AromaticContact CZ3-ND1 3.96Å; W156-H160 AromaticContact CZ3-NE2 3.83Å; W156-H160 AromaticContact NE1-CG 3.96Å; W156-H160 WeakPolarHBondContact O-CB 3.22Å; W156-H160 PolarHBondContact O-N 3.15Å; W156-H160 PolarHBondContact O-ND1 3.42Å
161P82.6Confident79.8Confident65 Ų6599.3 Ų99.342%0.42255%0.553SS.*  trans-60.5145174.926.3-34.7000110.4T159 S163 S164T159-P161 VanDerWaalsContact O-CD 3.27Å; T159-P161 WeakPolarHBondContact O-CD 3.44Å; P161-S163 PolarHBondContact O-N 3.2Å; P161-S164 WeakPolarHBondContact O-CB 3.47Å; P161-S164 PolarHBondContact O-N 3.5Å; P161-S164 PolarHBondContact O-OG 3.14Å
162P73.2Confident78.2Confident119 Ų11998.7 Ų98.777%0.77356%0.559SS**THydrogen-bonded Turntrans-66.5-4.2-17126.2-35.6000115S165P162-S165 PolarHBondContact O-OG 3.27Å
163S65.2Low76.7Confident94 Ų94103.2 Ų103.266%0.65757%0.57SS**THydrogen-bonded Turntrans-79-16.5169.150.20000113.9P161P161-S163 PolarHBondContact O-N 3.2Å
164S60.7Low75.2Confident76 Ų76102.8 Ų102.853%0.53157%0.574SS.*SBendtrans-70-32.8176.4610000112.6P161 L166P161-S164 WeakPolarHBondContact O-CB 3.47Å; P161-S164 PolarHBondContact O-N 3.5Å; P161-S164 PolarHBondContact O-OG 3.14Å; S164-L166 PolarHBondContact O-N 3.41Å
165S61.3Low73.6Confident81 Ų81106 Ų10657%0.56658%0.583SS**SBendtrans-93.877.5176.149.30000111.5P162 P167P162-S165 PolarHBondContact O-OG 3.27Å; S165-P167 VanDerWaalsContact O-CD 3.24Å; S165-P167 WeakPolarHBondContact O-CD 3.43Å; S165-P167 VanDerWaalsContact O-N 3.16Å
166L61.1Low71.9Confident155 Ų155102.5 Ų102.581%0.81258%0.582SS**  trans-60.5115.9169.6-72.7175.2000110.2S164 N168S164-L166 PolarHBondContact O-N 3.41Å; L166-N168 PolarHBondContact O-N 3.49Å
167P66.3Low70.2Confident102 Ų10299.5 Ų99.566%0.66258%0.581SS**  trans-71.9117.5-177.528.3-33.3000110.2S165 P169S165-P167 VanDerWaalsContact O-CD 3.24Å; S165-P167 WeakPolarHBondContact O-CD 3.43Å; S165-P167 VanDerWaalsContact O-N 3.16Å; P167-P169 VanDerWaalsContact O-CD 3.31Å; P167-P169 WeakPolarHBondContact O-CD 3.24Å; P167-P169 VanDerWaalsContact O-N 3.12Å
168N60.6Low68.2Low91 Ų9198 Ų9849%0.48759%0.587SS.*  trans-62.5113176.2-176.6-20.9000109.6L166 L170 L171L166-N168 PolarHBondContact O-N 3.49Å; N168-L170 PolarHBondContact O-N 3.4Å; N168-L170 PolarHBondContact OD1-N 3.28Å; N168-L171 PolarHBondContact O-N 3.23Å
169P68.4Low66.1Low96 Ų9698.5 Ų98.562%0.62359%0.585SS**Hα-helixtrans-66.9-14.3-164.726-35.8000114.1P167 R173P167-P169 VanDerWaalsContact O-CD 3.31Å; P167-P169 WeakPolarHBondContact O-CD 3.24Å; P167-P169 VanDerWaalsContact O-N 3.12Å; P169-R173 PolarHBondContact O-N 3.01Å
170L61.5Low64.2Low124 Ų124101.7 Ų101.765%0.64960%0.599SS**Hα-helixtrans-71.1-34.2175.1-58.3179.6000112.3N168 T174N168-L170 PolarHBondContact O-N 3.4Å; N168-L170 PolarHBondContact OD1-N 3.28Å; L170-T174 PolarHBondContact O-N 2.84Å; L170-T174 PolarHBondContact O-OG1 3.39Å
171L62.3Low62Low115 Ų115103.1 Ų103.160%0.60262%0.615SS**Hα-helixtrans-74.1-41.3177-62.4178.6000110.9N168 R173 T174 L175N168-L171 PolarHBondContact O-N 3.23Å; L171-R173 VanDerWaalsContact C-N 3.32Å; L171-R173 PolarHBondContact O-N 3.1Å; L171-T174 PolarHBondContact O-N 3.32Å; L171-T174 VanDerWaalsContact O-N 3.15Å; L171-L175 PolarHBondContact O-N 3.41Å; L171-L175 VanDerWaalsContact O-N 3.16Å
172S64.2Low60.2Low60 Ų60108.5 Ų108.542%0.4264%0.639SS.*Hα-helixtrans-56.2-44.1177.2-43.40000112.2A176S172-A176 VanDerWaalsContact O-CB 3.32Å; S172-A176 WeakPolarHBondContact O-CB 3.45Å; S172-A176 PolarHBondContact O-N 3.23Å; S172-A176 VanDerWaalsContact O-N 3.1Å
173R65.1Low58.8Low188 Ų188107.4 Ų107.471%0.70964%0.635SS**Hα-helixtrans-63.6-42177.7-177.3177.5-68.1-111.9-0.6112.1P169 L171 A176 T177P169-R173 PolarHBondContact O-N 3.01Å; L171-R173 VanDerWaalsContact C-N 3.32Å; L171-R173 PolarHBondContact O-N 3.1Å; R173-A176 PolarHBondContact O-N 2.85Å; R173-T177 WeakPolarHBondContact O-CB 3.36Å; R173-T177 PolarHBondContact O-N 3.06Å; R173-T177 PolarHBondContact O-OG1 2.99Å
174T64.7Low57.9Low95 Ų95108.9 Ų108.958%0.58364%0.642SS**Hα-helixtrans-64-48.1-177.2-56.30000111.2L170 L171 T177 S178L170-T174 PolarHBondContact O-N 2.84Å; L170-T174 PolarHBondContact O-OG1 3.39Å; L171-T174 PolarHBondContact O-N 3.32Å; L171-T174 VanDerWaalsContact O-N 3.15Å; T174-T177 PolarHBondContact O-N 3.21Å; T174-S178 PolarHBondContact O-N 2.69Å
175L62.5Low56.7Low126 Ų126112 Ų11266%0.6666%0.658SS**Hα-helixtrans-66.8-38.3178.3-63.7175.4000112.6L171 T177 S178L171-L175 PolarHBondContact O-N 3.41Å; L171-L175 VanDerWaalsContact O-N 3.16Å; L175-T177 VanDerWaalsContact C-N 3.27Å; L175-T177 PolarHBondContact O-N 2.79Å; L175-S178 PolarHBondContact O-N 3.47Å; L175-S178 PolarHBondContact O-OG 3.15Å
176A59.7Low55.6Low60 Ų60116.2 Ų116.250%0.49667%0.673SS.*Hα-helixtrans-67.7-25.917500000113.3S172 R173 S179S172-A176 VanDerWaalsContact O-CB 3.32Å; S172-A176 WeakPolarHBondContact O-CB 3.45Å; S172-A176 PolarHBondContact O-N 3.23Å; S172-A176 VanDerWaalsContact O-N 3.1Å; R173-A176 PolarHBondContact O-N 2.85Å; A176-S179 PolarHBondContact O-OG 3.36Å
177T59.5Low54.3Low94 Ų94113.3 Ų113.358%0.57767%0.671SS**Hα-helixtrans-80.7-25.9178.6-52.40000111.7R173 T174 L175 S179R173-T177 WeakPolarHBondContact O-CB 3.36Å; R173-T177 PolarHBondContact O-N 3.06Å; R173-T177 PolarHBondContact O-OG1 2.99Å; T174-T177 PolarHBondContact O-N 3.21Å; L175-T177 VanDerWaalsContact C-N 3.27Å; L175-T177 PolarHBondContact O-N 2.79Å; T177-S179 VanDerWaalsContact C-N 3.3Å; T177-S179 PolarHBondContact O-N 3.46Å
178S53Low52.7Low95 Ų95113.7 Ų113.766%0.66468%0.677SS**THydrogen-bonded Turntrans-76.3-9.117955.70000115.3T174 L175T174-S178 PolarHBondContact O-N 2.69Å; L175-S178 PolarHBondContact O-N 3.47Å; L175-S178 PolarHBondContact O-OG 3.15Å
179S50.5Low51.4Low93 Ų93116.1 Ų116.165%0.6569%0.69SS**THydrogen-bonded Turntrans-100.21-176.259.20000115A176 T177A176-S179 PolarHBondContact O-OG 3.36Å; T177-S179 VanDerWaalsContact C-N 3.3Å; T177-S179 PolarHBondContact O-N 3.46Å
180L54.9Low50Low129 Ų129115.3 Ų115.368%0.67569%0.686SS**SBendtrans-94.8130.1177-64.9179.4000111.5L182L180-L182 PolarHBondContact O-N 3.33Å
181P44.1Very low48.7Very low108 Ų108118.6 Ų118.670%0.70170%0.698SS**  trans-69.6132175.228.6-33.5000111S183P181-S183 VanDerWaalsContact C-N 3.35Å; P181-S183 PolarHBondContact O-N 3.16Å
182L45.9Very low47.2Very low177 Ų177117.1 Ų117.193%0.92771%0.711SS**  trans-68.688.4174-69.8172.8000110.5L180 P184L180-L182 PolarHBondContact O-N 3.33Å; L182-P184 WeakPolarHBondContact O-CD 3.45Å
183S42.3Very low45.6Very low97 Ų97119.1 Ų119.168%0.67873%0.725SS**  trans-73.5121.9176.1-63.60000111.1P181 T185P181-S183 VanDerWaalsContact C-N 3.35Å; P181-S183 PolarHBondContact O-N 3.16Å; S183-T185 PolarHBondContact O-N 3.38Å
184P47.9Very low44.2Very low124 Ų124119.6 Ų119.681%0.80574%0.735SS**  trans-78.3117.217930.3-33.1000111.3L182 L186L182-P184 WeakPolarHBondContact O-CD 3.45Å; P184-L186 PolarHBondContact O-N 3.48Å
185T34.9Very low42.6Very low142 Ų142118.2 Ų118.287%0.87174%0.74SS**  trans-75.8109.9174.7-550000110.6S183S183-T185 PolarHBondContact O-N 3.38Å
186L37.9Very low41.3Very low170 Ų170119.2 Ų119.289%0.8975%0.746SS**  trans-68.5141.2169.3-88.9161.9000111.5P184P184-L186 PolarHBondContact O-N 3.48Å
187A34.5Very low40.6Very low93 Ų93124.7 Ų124.777%0.76976%0.761SS**  trans-127.8148.8167.400000110.2
188S31.6Very low39.4Very low111 Ų111130.1 Ų130.178%0.77677%0.771SS**  trans-68.9170.4-178.7-42.50000112.2
189N34.3Very low38.3Very low142 Ų142131.1 Ų131.176%0.75977%0.774SS**  cis-160.5152.421.2-151.815.5000114.1
190S38Very low37.3Very low79 Ų79131.9 Ų131.955%0.55277%0.77SS**  trans28.6121.5147.765.80000123.1
191Q34.8Very low36.3Very low193 Ų193136 Ų13690%0.90278%0.777SS**  163.2123.7105.5-87.2-171.6-101.100114.9
192G30.1Very low35.6Very low83 Ų83135.3 Ų135.386%0.85678%0.775SS**  trans76.5157.6160.200000118
193S32.3Very low34.9Very low103 Ų103131.1 Ų131.172%0.7277%0.765SS**  cis-166.3134.4-14.2-173.60000111.3
194Q33.8Very low35.1Very low197 Ų197131.8 Ų131.892%0.92177%0.767SS**  trans58.7155.5170.3-64.4171.2-13.500116.9
195G32.8Very low34.2Very low67 Ų67132.6 Ų132.669%0.69176%0.763SS**  cis-167.8130.5-11.800000108
196D35.3Very low34.2Very low146 Ų146136.8 Ų136.878%0.78176%0.763SS**  98.3150.597-156.1-7.4000112.7
197Q43.4Very low33.8Very low176 Ų176133.4 Ų133.482%0.82275%0.754SS**  trans65.3144-179.3-51.1-176.110700117.1
198R35.1Very low33.4Very low207 Ų207133.6 Ų133.678%0.78176%0.755SS**  cis156.7120.7-30.8-103179.7170.4-92.41.8106.8
199T29.6Very low33.3Very low117 Ų117132.5 Ų132.572%0.71875%0.748SS**  trans45.7140.2145.455.70000120.5
200D30.1Very low33Very low108 Ų108134.8 Ų134.858%0.57875%0.754SS**  cis-136.9-135.331.8-153.2-153.6000111.4
201R33.1Very low32.5Very low215 Ų215134.1 Ų134.181%0.81175%0.753SS**  cis-148.7152.76.8-176.5100.7-76.8-134.62109.6
202S30.4Very low32.2Very low95 Ų95133.1 Ų133.166%0.66475%0.749SS**  trans-73.2160.5-176-37.90000116.6
203A31.6Very low32.2Very low88 Ų88137.7 Ų137.773%0.72775%0.748SS**  trans-72.6177.2156.800000111.7
204P44.6Very low32Very low111 Ų111140.1 Ų140.172%0.72175%0.748SS**  -159.5148.497.641.5-21.8000119.5
205I29.9Very low32.1Very low141 Ų141136.1 Ų136.172%0.72374%0.739SS**  65.1123.2125.9-62.4176000122.6
206R34.3Very low31.6Very low230 Ų230137.2 Ų137.287%0.86874%0.736SS**  trans66.5164.6151.6-72.7170.6-176.9-175-0.8119.4
207S30.7Very low31.4Very low100 Ų100136.7 Ų136.770%0.69974%0.738SS**  cis-178.1151.7-34.1-91.10000109.6
208A26.5Very low30.9Very low96 Ų96135.5 Ų135.579%0.79373%0.732SS**  trans66161.6159.500000116.2
209S28.6Very low31.1Very low89 Ų89131 Ų13162%0.62273%0.73SS**  cis-173.7147.6-24.248.90000109.7
210Q27.4Very low31.1Very low189 Ų189129.5 Ų129.588%0.88372%0.72SS**  trans63.8164.7163.6-69.5179.5-88.500116.5
211A27.3Very low31.2Very low65 Ų65133.1 Ų133.154%0.53773%0.731SS.*  cis-170.2165.7-30.100000108.4
212E29.6Very low31.3Very low173 Ų173132.6 Ų132.681%0.80873%0.734SS**  trans59.5157.8172.5-30.5-56.772.800116.1
213E29.3Very low31.2Very low179 Ų179133.3 Ų133.384%0.83674%0.74SS**  cis-148.4-176.4-15.8-145-170.4111.200108.9
214E28.8Very low31.1Very low153 Ų153137.1 Ų137.172%0.71574%0.742SS**  trans-55.4165.1166.1-90.6-76.2121.800112.8S216E214-S216 PolarHBondContact OE2-N 2.71Å
215P35.1Very low30.4Very low113 Ų113139.1 Ų139.173%0.73474%0.742SS**  cis-148.4164.236.142.9-22.2000121.2
216S23.1Very low30.4Very low90 Ų90144.6 Ų144.663%0.62975%0.753SS**  trans27.5124.4135.4-169.30000121.4E214E214-S216 PolarHBondContact OE2-N 2.71Å
217V32.2Very low30.4Very low135 Ų135138.2 Ų138.282%0.81874%0.744SS**  -172.8148.3103.9-87.40000112.8
218E31.9Very low30.7Very low152 Ų152138.9 Ų138.971%0.7175%0.749SS**  trans-77.7155.4161.6-147.4-147.7133.300110.3V220E218-V220 WeakPolarHBondContact OE1-CG2 3.35Å; E218-V220 PolarHBondContact OE1-N 2.91Å
219P39.9Very low31Very low113 Ų113139.3 Ų139.373%0.73475%0.746SS**  -157.3131.498.237.1-16.1000118.9
220V29.3Very low31.2Very low84 Ų84140.2 Ų140.251%0.50975%0.752SS.*  63.1125.5115.9-177.30000121.8E218E218-V220 WeakPolarHBondContact OE1-CG2 3.35Å; E218-V220 PolarHBondContact OE1-N 2.91Å
221K32.2Very low31.7Very low185 Ų185135.6 Ų135.680%0.80475%0.746SS**  trans83.189.7153.1-76.1160.5-156.5156.30121.9
222K33.9Very low32.4Very low203 Ų203137.3 Ų137.388%0.88375%0.752SS**  59.5105.4100.4-169.1177.6-173.4174.90119.7
223S28.6Very low32.6Very low111 Ų111136.2 Ų136.278%0.77675%0.747SS**  trans-156.9157147-140.50000109.2
224Q30.1Very low32.8Very low168 Ų168134.8 Ų134.879%0.78574%0.74SS**  cis-134.5-112.4-3.3-159.2179.838.800111.5
225H29Very low33Very low153 Ų153134.6 Ų134.671%0.70874%0.743SS**  trans-151.5143.6-170.4-80.4-106.2000113.5
226R30.3Very low32.9Very low255 Ų255137.1 Ų137.196%0.96275%0.745SS**  trans-142.2118.4135.1-85-159.9175.5-139.9-0.1110.2
227S34.6Very low33.4Very low97 Ų97144.4 Ų144.468%0.67876%0.759SS**  trans-99.7173.1163.9-37.30000108.1
228S36.3Very low33.4Very low114 Ų114144.3 Ų144.380%0.79776%0.764SS**  cis-147.4-171.7-1.9-42.60000106.4
229S34.5Very low33.5Very low105 Ų105140 Ų14073%0.73476%0.761SS**  cis-154.4-170.8-5.255.40000105.8
230S32.3Very low33.4Very low108 Ų108141.3 Ų141.376%0.75577%0.767SS**  cis-141.1-164.66.5-53.20000107.1
231A36.7Very low33.6Very low92 Ų92142.2 Ų142.276%0.7678%0.776SS**  cis-148.4168.6-1.500000108.6
232P43.1Very low33.7Very low101 Ų101145 Ų14566%0.65678%0.782SS**  trans-121.1-176.5-157.920.43.3000117.1
233H34Very low33.6Very low150 Ų150138.7 Ų138.769%0.69478%0.775SS**  trans86.4143.8164.6-53.2-77.2000117.4
234H32.8Very low34Very low149 Ų149142 Ų14269%0.6978%0.783SS**  cis-146.2156.1-9.1-119.8-58.2000109.8
235N33.1Very low34.1Very low148 Ų148139.3 Ų139.379%0.79178%0.783SS**  trans-124.1134.2178.7-169.92.7000110.2
236H32.3Very low34.5Very low167 Ų167141 Ų14177%0.77378%0.783SS**  trans-133.1120.6-177.4-80.1-76.4000112.7
237R34.6Very low34.8Very low243 Ų243136.8 Ų136.892%0.91777%0.774SS**  trans-136110.4170.3-178.5-170.1-175.6-153.13.4109.4
238S32.1Very low34.9Very low132 Ų132138.4 Ų138.492%0.92377%0.771SS**  trans-161.8166.7165.6-87.90000107.7
239G35Very low35.1Very low62 Ų62139.1 Ų139.164%0.63977%0.77SS**  trans-160.9-159.3-177.700000115.3
240T37.1Very low35Very low141 Ų141143.2 Ų143.287%0.86578%0.775SS**  trans85.1134.6-179.373.80000118.3
241S33.7Very low35.1Very low102 Ų102143.6 Ų143.671%0.71377%0.769SS**  trans90.5117.5156.879.90000121.3
242R34.2Very low35.1Very low244 Ų244144.7 Ų144.792%0.92177%0.771SS**  trans59.3101.1141.3-63.9178.8173.9127.2-2.5120.7
243G32Very low34.7Very low71 Ų71149 Ų14973%0.73278%0.782SS**  112.2122.8100.500000118.9
244L35.3Very low34.9Very low181 Ų181147.3 Ų147.395%0.94878%0.783SS**  trans66.4156.1167.3-45178.9000114.9
245S33.2Very low35.3Very low111 Ų111149.3 Ų149.378%0.77679%0.792SS**  cis-129.8160-5.2-166.30000110.9
246R38.1Very low35.4Very low188 Ų188149.3 Ų149.371%0.70979%0.788SS**  trans-100.3121.7176.4-173174.5-177.3-95.62.5108.4E248R246-E248 IonicContact CZ-OE1 3.37Å; R246-E248 VanDerWaalsContact CZ-OE1 3.27Å; R246-E248 IonicContact CZ-OE2 3.96Å; R246-E248 VanDerWaalsContact NH1-CD 3.26Å; R246-E248 IonicContact NH1-OE1 2.68Å; R246-E248 IonicContact NH1-OE2 3.23Å; R246-E248 PolarHBondContact NH1-OE2 3.23Å; R246-E248 IonicContact NH2-OE1 2.66Å; R246-E248 PolarHBondContact NH2-OE1 2.63Å; R246-E248 IonicContact NH2-OE2 3.72Å; R246-E248 PolarHBondContact NH2-OE2 2.92Å
247Q34.8Very low35.8Very low167 Ų167146.5 Ų146.578%0.7879%0.787SS**  trans-122.3105.7174.3-167.780.653.900108
248E38.1Very low36Very low131 Ų131146.7 Ų146.761%0.61279%0.787SS**  trans-93.4137163.9-73.9173.9147.200108.3R246R246-E248 IonicContact CZ-OE1 3.37Å; R246-E248 VanDerWaalsContact CZ-OE1 3.27Å; R246-E248 IonicContact CZ-OE2 3.96Å; R246-E248 VanDerWaalsContact NH1-CD 3.26Å; R246-E248 IonicContact NH1-OE1 2.68Å; R246-E248 IonicContact NH1-OE2 3.23Å; R246-E248 PolarHBondContact NH1-OE2 3.23Å; R246-E248 IonicContact NH2-OE1 2.66Å; R246-E248 PolarHBondContact NH2-OE1 2.63Å; R246-E248 IonicContact NH2-OE2 3.72Å; R246-E248 PolarHBondContact NH2-OE2 2.92Å
249T40.9Very low35.8Very low128 Ų128147.7 Ų147.779%0.78578%0.782SS**  trans-133.7136.5159.346.80000107.1
250F31.8Very low36Very low192 Ų192149.8 Ų149.884%0.84279%0.787SS**  trans-84.2-179.7-164.4-162.9-106.2000112.8
251D34.1Very low35.7Very low116 Ų116147.8 Ų147.862%0.6279%0.785SS**  trans-51161.7-171.6-65.6-94000117.1
252S36.2Very low35.7Very low115 Ų115152 Ų15280%0.80479%0.786SS**  trans-143.2118.7155.9-70.60000109.2
253E34.3Very low36Very low191 Ų191146.7 Ų146.789%0.89378%0.781SS**  trans-84.1111.4-175-58.8167.3111.600110.6
254T39.6Very low36.5Very low114 Ų114150.1 Ų150.170%0.69978%0.778SS**  trans-102.287.917346.80000112E256T254-E256 PolarHBondContact O-N 2.66Å; T254-E256 VanDerWaalsContact O-N 3.12Å
255Q41.1Very low36.8Very low191 Ų191147.3 Ų147.389%0.89377%0.77SS**  trans-73.887165.6-179.988.610.400109.3
256E35.4Very low36.8Very low149 Ų149151 Ų15170%0.69677%0.772SS**  trans-129.8159.1177.973.6-180132.400114.9T254T254-E256 PolarHBondContact O-N 2.66Å; T254-E256 VanDerWaalsContact O-N 3.12Å
257S39.5Very low36.7Very low107 Ų107151.3 Ų151.375%0.74878%0.782SS**  trans60.966.8163.6-59.40000118.1
258R38.6Very low36.8Very low248 Ų248150.2 Ų150.294%0.93678%0.782SS**  trans-79.7109.8131.1-83.8-175.9166.5112.1-5.5108.1
259D28.5Very low36.6Very low153 Ų153155.6 Ų155.682%0.81880%0.798SS**  -167.4177.6114.4-150.7-5.3000111.4
260S39.3Very low36.8Very low105 Ų105154.6 Ų154.673%0.73480%0.796SS**  trans-98.2152.8-151.6-47.60000114
261A31.1Very low37.1Very low100 Ų100154.3 Ų154.383%0.82680%0.797SS**  trans-149.159.7162.700000111.3
262Y33.5Very low37.2Very low189 Ų189155.3 Ų155.374%0.74180%0.803SS**  trans-76.8130.3168.3-176.5-108000109.1E264Y262-E264 HydrophobicContact CD1-CB 4.19Å; Y262-E264 HydrophobicContact CE1-CB 3.82Å; Y262-E264 HydrophobicContact CE1-CG 4.23Å
263V40.6Very low37.3Very low133 Ų133158.6 Ų158.681%0.80681%0.805SS**  trans-106.3102.8178.3179.40000108.7
264E42.1Very low37.3Very low144 Ų144154.5 Ų154.567%0.67379%0.793SS**PPolyproline II helixtrans-99.3144.5168-157.5163.6-169.400109.9Y262Y262-E264 HydrophobicContact CD1-CB 4.19Å; Y262-E264 HydrophobicContact CE1-CB 3.82Å; Y262-E264 HydrophobicContact CE1-CG 4.23Å
265P41.1Very low37.1Very low121 Ų121155 Ų15579%0.78679%0.791SS**PPolyproline II helixtrans-65.1155.3-178.8-23.535.7000114.1
266K34.8Very low36.9Very low188 Ų188153.4 Ų153.482%0.81778%0.783SS**PPolyproline II helixtrans-69.7140.1175-62.8-180173.8-169.80112.3
267E35.1Very low37Very low196 Ų196157.4 Ų157.492%0.91679%0.794SS**  trans-130137.8144.7-63.7-166.7155.300108.6
268D36.8Very low36.8Very low144 Ų144157 Ų15777%0.7780%0.797SS**  trans-83134.1-176.6-70.8-61.5000111.6
269Y34.8Very low36.6Very low243 Ų243150.7 Ų150.795%0.95379%0.79SS**  trans-158.1140.5149.4-114.1-73.6000112.4
270S43.8Very low37.7Very low107 Ų107152.4 Ų152.475%0.74879%0.793SS**  trans-109.4139.5-171.4-43.10000113.6
271H40Very low37.6Very low186 Ų186158 Ų15886%0.86180%0.798SS**  trans-157.2137.1145.4-13965.7000113.7
272D34.4Very low37.7Very low138 Ų138159 Ų15974%0.73879%0.79SS**  trans-81.6147.2169.1-59.9-101.4000111.4
273H40Very low38.1Very low183 Ų183158.8 Ų158.885%0.84780%0.795SS**  trans-152.7153.1134.4-146-83.2000112.1
274V34.1Very low37.7Very low106 Ų106160.4 Ų160.464%0.64280%0.799SS**  trans-105.5155.7-175.9-155.50000110.5
275D35.1Very low37.5Very low123 Ų123162 Ų16266%0.65881%0.806SS**  125.2150.4120.4-118.1-38.3000122
276H37.3Very low37Very low159 Ų159166.2 Ų166.274%0.73681%0.807SS**  trans82.483.1154.8-62.4-1.6000123.1
277Y36.3Very low37Very low233 Ų233162.8 Ų162.891%0.91480%0.797SS**  41.8124.4114.8-107.5-91000123.8
278A36.3Very low36.7Very low98 Ų98160.8 Ų160.881%0.8179%0.788SS**  trans157.1147.4132.900000111.5
279S33.3Very low36.6Very low115 Ų115158 Ų15880%0.80478%0.776SS**  cis-158.2156.1-21-172.70000108.6
280H51.9Low36.5Very low189 Ų189155.3 Ų155.388%0.87577%0.772SS**  trans-76.1156.5-179.6-70.9-94.7000113.4
281R36.9Very low35.8Very low222 Ų222154.1 Ų154.184%0.83878%0.777SS**  trans-148.7120.7151.3-163157.6-171.5156.39.6116.1
282D32.7Very low35.4Very low122 Ų122150.7 Ų150.765%0.65277%0.774SS**  trans49.8112.8152.8-53.3-20.1000121.3
283H42.4Very low35.2Very low184 Ų184150.1 Ų150.185%0.85278%0.781SS**  trans-70.6159.6150.2-71.7-67.1000111.1
284N33Very low34.9Very low168 Ų168147.5 Ų147.590%0.89877%0.773SS**  trans-151.5147.8135.8-116.8-67.7000112.3
285H37.3Very low34.9Very low177 Ų177149.2 Ų149.282%0.81977%0.773SS**  trans-131.9131.2-178.9-163.7-62.5000106.6
286R31.6Very low34.7Very low210 Ų210153.6 Ų153.679%0.79278%0.781SS**  trans-138.8134170.7-177.2166171.4155.7-4111.4E288R286-E288 IonicContact CZ-OE2 2.71Å; R286-E288 IonicContact NE-OE2 2.63Å; R286-E288 PolarHBondContact NE-OE2 3.43Å; R286-E288 IonicContact NH2-OE1 2.6Å; R286-E288 IonicContact NH2-OE2 3.55Å; R286-E288 PolarHBondContact NH2-OE2 3Å
287D34.3Very low34.4Very low116 Ų116154.5 Ų154.562%0.6279%0.785SS**  trans-94.8149.2176.5-179.7-90.1000110T289D287-T289 WeakPolarHBondContact OD1-CG2 3.31Å
288E28.2Very low34.1Very low154 Ų154152.6 Ų152.672%0.7278%0.776SS**  trans-163157.9148.7-115.4163.8127.100111.1R286R286-E288 IonicContact CZ-OE2 2.71Å; R286-E288 IonicContact NE-OE2 2.63Å; R286-E288 PolarHBondContact NE-OE2 3.43Å; R286-E288 IonicContact NH2-OE1 2.6Å; R286-E288 IonicContact NH2-OE2 3.55Å; R286-E288 PolarHBondContact NH2-OE2 3Å
289T34.3Very low33.8Very low84 Ų84154.6 Ų154.652%0.51577%0.769SS.*  trans-131.4171.7-144.842.30000116.5D287D287-T289 WeakPolarHBondContact OD1-CG2 3.31Å
290H33.8Very low34.2Very low187 Ų187154.5 Ų154.587%0.86677%0.768SS**  trans90.1140.4159.2-48.1-63.5000119.4
291G28.7Very low33.2Very low83 Ų83156.8 Ų156.886%0.85677%0.769SS**  trans160.579.1174.200000112.7
292S31.2Very low33.4Very low114 Ų114155.2 Ų155.280%0.79777%0.771SS**  trans-93.2139.8-178.1-170.80000112.7
293S31Very low33.4Very low126 Ų126161.3 Ų161.388%0.88179%0.785SS**  trans-158.8157.5161.1-82.90000110.6
294D32.9Very low32.8Very low127 Ų127158.1 Ų158.168%0.67978%0.783SS**  trans-126.6177-149.4-153.4-43.3000112.4
295H34.5Very low32.7Very low142 Ų142161 Ų16166%0.65778%0.781SS**  trans90.890.8157.2-53.4-17.1000121.2
296R31.6Very low32.5Very low215 Ų215159.6 Ų159.681%0.81178%0.78SS**  60.1120.6110.6-68.4175.6-171-164.94.4121.8
297H30.9Very low33.3Very low179 Ų179156.5 Ų156.583%0.82978%0.784SS**  trans63.8123.6130.5-101.5-54.5000122.5
298R29.6Very low33.9Very low193 Ų193157.5 Ų157.573%0.72879%0.789SS**  102.5143.2117.3-167.2177.3171.7140.715120.5
299E29.6Very low34.8Very low139 Ų139160.5 Ų160.565%0.6579%0.794SS**  trans75.1127162-113.6106-123.500120.8
300S41.5Very low35.2Very low114 Ų114165.7 Ų165.780%0.79781%0.812SS**  trans-84.6135.8172.2-33.60000111.9
301R32.4Very low35.7Very low237 Ų237166.2 Ų166.289%0.89482%0.815SS**  trans-144.4134.9155.8-70-164.2176.9175.11.7112.1
302H39.6Very low36.5Very low188 Ų188169 Ų16987%0.8781%0.811SS**  trans-71.4146.8176.3-54-98.6000112.2
303R32.3Very low37.3Very low251 Ų251171.8 Ų171.895%0.94781%0.81SS**  trans-141.1159145.3-86.7-159.2167.8133.6-0.7110.6
304S30.3Very low38.1Very low116 Ų116173.6 Ų173.681%0.81181%0.811SS**  trans-100.7174.7-157.4-36.90000114.2
305R31.6Very low38.6Very low229 Ų229173.9 Ų173.986%0.86481%0.808SS**  trans93.6144.9-177.3-63.3-174.7177.2-176.9-2.9113.2
306D33.2Very low38.9Very low147 Ų147173.4 Ų173.479%0.78682%0.819SS**  cis-108.5164.57.6-76.4-67.6000114.8
307V48Very low39.4Very low146 Ų146170.9 Ų170.989%0.88582%0.822SS**  trans-118.992.9171.7175.40000107.6
308D46.8Very low40.1Very low136 Ų136171.4 Ų171.473%0.72782%0.821SS**  trans-161.7157168.4-143.9-38.1000111.3
309R46.7Very low40.8Very low217 Ų217168.8 Ų168.882%0.81982%0.817SS**  trans68.454.7175.4-55-177.2-176.773.63.8119.4
310E43.5Very low41.3Very low194 Ų194174 Ų17491%0.90783%0.831SS**  trans-135.862.5148.1-78.3-156132.800111.5
311Q44.9Very low41.3Very low198 Ų198174 Ų17493%0.92583%0.831SS**  trans-161.869166.4-132.4158.2114.500114.2
312D44.5Very low42.1Very low142 Ų142173.4 Ų173.476%0.75983%0.829SS**  trans-140.9169.5162.7-155.1-38.2000108.9
313H47.8Very low41.9Very low171 Ų171173.5 Ų173.579%0.79283%0.829SS**SBendtrans79.844.7172.1-46-14.8000116.3
314N48.8Very low42.2Very low165 Ų165171.9 Ų171.988%0.88283%0.829SS**SBendtrans-144.710.9161.3-147.85000117.4
315E43.4Very low42.6Very low133 Ų133172 Ų17262%0.62183%0.83SS**  trans-112.4-0.2-175.5-134.6-162.4136.900116.9N317 Q319E315-N317 VanDerWaalsContact C-N 3.26Å; E315-N317 PolarHBondContact O-N 3.02Å; E315-N317 VanDerWaalsContact O-N 3.14Å; E315-Q319 PolarHBondContact OE1-NE2 3.03Å
316C40.8Very low42.6Very low132 Ų132169.6 Ų169.689%0.89283%0.825SS**THydrogen-bonded Turntrans-65-24-172.7-161.40000114.5
317N41.4Very low42.6Very low162 Ų162168.5 Ų168.587%0.86682%0.82SS**THydrogen-bonded Turntrans-99.217.9-169.4-16031.8000115.8E315E315-N317 VanDerWaalsContact C-N 3.26Å; E315-N317 PolarHBondContact O-N 3.02Å; E315-N317 VanDerWaalsContact O-N 3.14Å
318K45.4Very low42.1Very low189 Ų189173.6 Ų173.682%0.82282%0.823SS**THydrogen-bonded Turntrans-122.6-19.6178.7-85.5-1741751780116.5
319Q43.7Very low41.4Very low139 Ų139177.8 Ų177.865%0.6583%0.83SS**SBendtrans-94.2-7.5-168.4-61-167.52.200115.5E315 S321E315-Q319 PolarHBondContact OE1-NE2 3.03Å; Q319-S321 VanDerWaalsContact C-N 3.3Å; Q319-S321 PolarHBondContact O-N 3.22Å
320R40.2Very low40.8Very low249 Ų249172.4 Ų172.494%0.9483%0.825SS**THydrogen-bonded Turntrans-82.59.4-172.9-146.7176.7-171.8-96.23.3116
321S42.6Very low40.3Very low113 Ų113170.3 Ų170.379%0.7982%0.815SS**THydrogen-bonded Turntrans-109.93.8-172.6-151.20000115.5Q319Q319-S321 VanDerWaalsContact C-N 3.3Å; Q319-S321 PolarHBondContact O-N 3.22Å
322R48.6Very low39.7Very low224 Ų224167.7 Ų167.785%0.84580%0.8SS**  trans-140.895.1-179.3-75.3-174.2170.5177.8-3.8112.8
323H35.1Very low39.2Very low190 Ų190168.5 Ų168.588%0.8881%0.805SS**  trans169.1102.1141.5-93.8-168.4000111.9
324K38.4Very low38.5Very low218 Ų218164 Ų16495%0.94881%0.805SS**  trans-169.754.4142-113.1175-177.4-179.60114.5
325S39.1Very low38.1Very low118 Ų118164.7 Ų164.783%0.82580%0.803SS**  trans-108.694165.841.70000110.2
326K31.7Very low37.7Very low178 Ų178165 Ų16577%0.77481%0.813SS**  trans-157.693167.6-161.274.2-1721420112.3
327D34.1Very low37.6Very low124 Ų124165.3 Ų165.366%0.66381%0.805SS**  trans27.6121.3142.2-37.7-46.7000119.2
328R37.4Very low37.4Very low254 Ų254162.1 Ų162.196%0.95880%0.795SS**  trans-135.3149.6130.7-119.9-173.8-71.7-161.81.4110.4
329Y31.3Very low37.1Very low223 Ų223162.2 Ų162.288%0.87580%0.795SS**  trans-84.5164.2-159-167.5-99.6000113.5
330C35.3Very low36.9Very low104 Ų104164.1 Ų164.170%0.70380%0.801SS**  trans-77156.4-172.1-49.40000113.9
331E31.9Very low36.7Very low150 Ų150164 Ų16470%0.70180%0.801SS**  179.8156.1115.3-98.3-136.7109.300114.4
332K31.6Very low36.2Very low143 Ų143163 Ų16362%0.62279%0.787SS**  trans61.3107.2154.4-72.2174.9171.5670121.5
333D35.8Very low35.5Very low160 Ų160160.6 Ų160.686%0.85679%0.785SS**  37.7128.8112.9-45.4-47.7000120.4
334G31.9Very low35.4Very low76 Ų76156.7 Ų156.778%0.78479%0.786SS**  trans-17880.9171.900000115.5
335E41.1Very low35.1Very low180 Ų180149.3 Ų149.384%0.84177%0.771SS**  trans-75.3119170.5178.7-170.6-173.100111.3
336V34.7Very low34.9Very low140 Ų140152.9 Ų152.985%0.84878%0.775SS**  trans-145.2130.8167.2-1720000112.4
337I37.9Very low35Very low138 Ų138155.6 Ų155.671%0.70878%0.781SS**  trans-95.8135.1177.2-59.6155.1000110.6
338S38.5Very low35.3Very low95 Ų95155 Ų15566%0.66478%0.778SS**  trans175.7138.6142.5-92.70000119.3
339K38.2Very low35.3Very low191 Ų191153.8 Ų153.883%0.8377%0.773SS**  trans67.995.3134.6-64.6168.9-175.2169.50122.1
340K39.9Very low35.7Very low178 Ų178149.4 Ų149.477%0.77477%0.765SS**  26.1127.5111.1-177.5179.3-177.4175.60119N342K340-N342 WeakPolarHBondContact CE-OD1 3.47Å
341R35.9Very low36.1Very low248 Ų248150.5 Ų150.594%0.93677%0.768SS**  trans-142151137.1-157.516873.7-162.92.9110.4
342N32.7Very low36.4Very low92 Ų92153.8 Ų153.849%0.49278%0.775SS.*  trans-92.9156.8-166.8-96.934.1000115.1K340K340-N342 WeakPolarHBondContact CE-OD1 3.47Å
343E33.3Very low36.8Very low172 Ų172154.2 Ų154.280%0.80478%0.783SS**  trans41.7132.6137.4-60.8168.211800122.2
344A33Very low36.7Very low108 Ų108157.9 Ų157.989%0.89379%0.785SS**  -156.4138.7123.800000109.9
345G32.9Very low37.1Very low63 Ų63166.4 Ų166.465%0.64980%0.804SS**  trans122.28.6156.500000120.5W347G345-W347 PolarHBondContact O-N 3.12Å
346E34.2Very low36.9Very low194 Ų194165.7 Ų165.791%0.90780%0.802SS**  trans-79.1118.3175.2-168.8168.3-117.700111.6
347W33.7Very low37.1Very low235 Ų235167.1 Ų167.189%0.8980%0.8SS**  trans-111.481.4179.3-77.188.6000111.4G345G345-W347 PolarHBondContact O-N 3.12Å
348N39.6Very low37Very low112 Ų112168.7 Ų168.760%0.59981%0.805SS**  trans-86.8131.5165-177.6-69.1000110.6D350N348-D350 PolarHBondContact ND2-OD2 3.23Å; N348-D350 PolarHBondContact OD1-N 2.68Å
349R39.1Very low36.9Very low228 Ų228173 Ų17386%0.8681%0.813SS**  trans-15084.4151.9-70.3-160.9-171.8-163.23.7111.4
350D39.2Very low36.9Very low130 Ų130171.9 Ų171.970%0.69581%0.812SS**  trans-75.6120.6166-67.7-72.1000111.7N348N348-D350 PolarHBondContact ND2-OD2 3.23Å; N348-D350 PolarHBondContact OD1-N 2.68Å
351V43.8Very low36.7Very low127 Ų127171.5 Ų171.577%0.7782%0.815SS**  trans-146.2110.4161.8-179.70000110.9
352Y37.3Very low36.7Very low220 Ų220166 Ų16686%0.86381%0.806SS**  trans27.2146.5140.8-64.8-94.1000120.9
353I40.2Very low37Very low152 Ų152171.7 Ų171.778%0.77983%0.83SS**  cis-141.7155.538.3-78.4179.4000112
354R33.2Very low37.3Very low236 Ų236171.7 Ų171.789%0.89183%0.832SS**  trans-107.2137.1163.4177.1-167-162.9159.56.9109.8
355Q41.8Very low37.7Very low255 Ų255177.5 Ų177.5100%1.19283%0.827SS**  trans-142.10158.9-168.4151103.700109

Retrieved 355 of 355 residues in 183 ms (Link to these results)