A0A087Y5L8_POEFO Loading...

Splicing factor 45

Splice factor that binds to the single-stranded 3'AG at the exon/intron border and promotes its utilization in the second catalytic step. Involved in the regulation of alternative splicing and the utilization of cryptic splice sites.

AlphaFold DB , UniProt , Accession A0A087Y5L8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 421 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M52.3Low44.4Very low246 Ų246145.5 Ų145.5100%1.21285%0.852SS**  0108.50-74.7159.580.900108.2
2S43.4Very low44Very low121 Ų121141.3 Ų141.385%0.84684%0.836SS**  trans-151.4120.8158.251.60000105.6
3L48.6Very low44.3Very low156 Ų156141.5 Ų141.582%0.81783%0.831SS**  trans-83.2169.9-178.7-77.6116.6000111.3
4Y47Very low44.7Very low226 Ų226140.1 Ų140.189%0.88683%0.825SS**  trans81.274.1178.5-61.5-79.1000115.8
5D50.4Low44.7Very low164 Ų164142.8 Ų142.888%0.87782%0.822SS**  trans-94.7156.8138-142.7-22.1000108.5
6D47.8Very low45Very low137 Ų137141.8 Ų141.873%0.73382%0.819SS**  trans64.794.5173.2-156.313.8000120.2
7L42.3Very low45.2Very low170 Ų170141.6 Ų141.689%0.8981%0.809SS**  trans-148.895.6130.5-104-179.2000109V9L7-V9 PolarHBondContact O-N 3.09Å
8G38.7Very low45.5Very low69 Ų69136.8 Ų136.871%0.71180%0.796SS**  trans-66.4120.6-175.300000114.8G10G8-G10 PolarHBondContact O-N 2.87Å
9V39.2Very low45.5Very low143 Ų143141.9 Ų141.987%0.86780%0.801SS**  trans-81.998.9167.4-179.40000109.3L7 A11L7-V9 PolarHBondContact O-N 3.09Å; V9-A11 PolarHBondContact O-N 3.11Å
10G37.3Very low45.8Very low66 Ų66138.1 Ų138.168%0.6878%0.784SS**  trans-67.2109.7172.700000111.8G8 S12G8-G10 PolarHBondContact O-N 2.87Å; G10-S12 PolarHBondContact O-N 3.19Å
11A41.5Very low46.3Very low103 Ų103137.1 Ų137.185%0.85177%0.771SS**  trans-7094.1173.900000110.9V9 D13V9-A11 PolarHBondContact O-N 3.11Å; A11-D13 PolarHBondContact O-N 2.9Å
12S40Very low46.2Very low94 Ų94131 Ų13166%0.65774%0.743SS**  trans-87.385173.351.80000111.2G10 T14G10-S12 PolarHBondContact O-N 3.19Å; S12-T14 PolarHBondContact O-N 3.43Å; S12-T14 PolarHBondContact O-OG1 3.34Å
13D47.7Very low46.6Very low144 Ų144131 Ų13177%0.7773%0.728SS**  trans-65.8100.9172.8-165.35.3000110.2A11A11-D13 PolarHBondContact O-N 2.9Å
14T49.8Very low47.2Very low123 Ų123131 Ų13176%0.75572%0.721SS**  trans-128.346.7-175.346.90000111.4S12 T16S12-T14 PolarHBondContact O-N 3.43Å; S12-T14 PolarHBondContact O-OG1 3.34Å; T14-T16 PolarHBondContact O-N 3.01Å
15K44.4Very low47.9Very low180 Ų180125.2 Ų125.278%0.78371%0.705SS**  trans-80.1102.9-177.8-133.7168.6-171.6170.90113.1
16T49.5Very low48.7Very low126 Ų126122.2 Ų122.277%0.77369%0.688SS**  trans59.872.7144.6580000118.9T14T14-T16 PolarHBondContact O-N 3.01Å
17E48.7Very low49.4Very low139 Ų139119.9 Ų119.965%0.6567%0.673SS**  trans-102.111.6170.1-133.9-162-153.200115.2K21E17-K21 IonicContact OE2-NZ 2.83Å; E17-K21 PolarHBondContact OE2-NZ 3.19Å
18G50.8Low50.7Low55 Ų55114.9 Ų114.957%0.56765%0.653SS**SBendtrans-90.9-29.9-170.300000117.1
19W44.6Very low51.8Low234 Ų234116.7 Ų116.789%0.88664%0.642SS**Hα-helixtrans-83.8-39.9-168.1-153.8-56.2000113.5K21 N22W19-K21 PolarHBondContact O-N 3.14Å; W19-N22 PolarHBondContact O-N 2.76Å
20S52Low53Low66 Ų66115 Ų11546%0.46263%0.628SS.*Hα-helixtrans-71.3-25.7-169.364.20000114.3K24S20-K24 PolarHBondContact O-N 2.78Å
21K55.6Low54Low117 Ų117118.6 Ų118.651%0.50963%0.625SS.*Hα-helixtrans-69.9-40.8-179.9-66.6171.9-174.1169.30111.6E17 W19 K24 L25E17-K21 IonicContact OE2-NZ 2.83Å; E17-K21 PolarHBondContact OE2-NZ 3.19Å; W19-K21 PolarHBondContact O-N 3.14Å; K21-K24 PolarHBondContact O-N 3.4Å; K21-L25 PolarHBondContact O-N 3.05Å
22N51.4Low54.9Low117 Ų117118.3 Ų118.363%0.62661%0.613SS**Hα-helixtrans-66.8-38.9178.1-68-23.7000112.5W19 L25 L26W19-N22 PolarHBondContact O-N 2.76Å; N22-L25 PolarHBondContact O-N 2.76Å; N22-L26 PolarHBondContact O-N 2.83Å; N22-L26 VanDerWaalsContact O-N 3.1Å
23F52.2Low55.9Low123 Ų123121.2 Ų121.254%0.53961%0.613SS.*Hα-helixtrans-64.3-40.9177.7-174.2-101.5000112.7L26 Q27F23-L26 PolarHBondContact O-N 3.01Å; F23-Q27 HydrophobicContact CE1-CG 4.24Å; F23-Q27 HydrophobicContact CZ-CG 4.49Å; F23-Q27 PolarHBondContact O-N 3.43Å
24K61.3Low56.4Low154 Ų154122.1 Ų122.167%0.6761%0.61SS**Hα-helixtrans-65.3-39176.9-74.2176.4178176.10112.2S20 K21 Q27 S28S20-K24 PolarHBondContact O-N 2.78Å; K21-K24 PolarHBondContact O-N 3.4Å; K24-Q27 PolarHBondContact O-N 2.87Å; K24-S28 PolarHBondContact O-N 3.27Å
25L60.1Low56.5Low106 Ų106118.9 Ų118.956%0.55560%0.596SS**Hα-helixtrans-65.7-41.1176.5-166.168.8000111.7K21 N22 S28 Q29K21-L25 PolarHBondContact O-N 3.05Å; N22-L25 PolarHBondContact O-N 2.76Å; L25-S28 WeakPolarHBondContact O-CB 3.17Å; L25-S28 PolarHBondContact O-N 3.46Å; L25-Q29 PolarHBondContact O-N 3.38Å
26L67.2Low57.1Low100 Ų100113.2 Ų113.252%0.52458%0.583SS.*Hα-helixtrans-65.3-42.5176.6-174.661.9000112.4N22 F23 S28 Q29 L30N22-L26 PolarHBondContact O-N 2.83Å; N22-L26 VanDerWaalsContact O-N 3.1Å; F23-L26 PolarHBondContact O-N 3.01Å; L26-S28 VanDerWaalsContact C-N 3.3Å; L26-S28 PolarHBondContact O-N 2.83Å; L26-Q29 PolarHBondContact O-N 3.09Å; L26-L30 HydrophobicContact CG-CD1 4.16Å; L26-L30 WeakPolarHBondContact O-CB 3.25Å; L26-L30 WeakPolarHBondContact O-CG 3.34Å; L26-L30 PolarHBondContact O-N 2.85Å
27Q64.1Low57.3Low88 Ų88113.6 Ų113.641%0.41158%0.579SS.*Hα-helixtrans-60.1-39.6172.1-85.1-157.45.300112.5F23 K24 L30 K31F23-Q27 HydrophobicContact CE1-CG 4.24Å; F23-Q27 HydrophobicContact CZ-CG 4.49Å; F23-Q27 PolarHBondContact O-N 3.43Å; K24-Q27 PolarHBondContact O-N 2.87Å; Q27-L30 PolarHBondContact O-N 3.41Å; Q27-K31 WeakPolarHBondContact O-CG 3.15Å; Q27-K31 PolarHBondContact O-N 3Å
28S68.4Low57.6Low66 Ų66111.1 Ų111.146%0.46257%0.574SS.*Hα-helixtrans-61.2-50176.8-172.90000111.1K24 L25 L26 L30 K31 V32K24-S28 PolarHBondContact O-N 3.27Å; L25-S28 WeakPolarHBondContact O-CB 3.17Å; L25-S28 PolarHBondContact O-N 3.46Å; L26-S28 VanDerWaalsContact C-N 3.3Å; L26-S28 PolarHBondContact O-N 2.83Å; S28-L30 VanDerWaalsContact C-N 3.33Å; S28-L30 PolarHBondContact O-N 2.84Å; S28-K31 PolarHBondContact O-N 3.45Å; S28-V32 WeakPolarHBondContact O-CG2 3.43Å; S28-V32 PolarHBondContact O-N 3.49Å
29Q62.5Low57.8Low106 Ų106115.7 Ų115.750%0.49558%0.58SS.*Hα-helixtrans-62.4-37.1178-67.6-174.123.400113L25 L26 K33L25-Q29 PolarHBondContact O-N 3.38Å; L26-Q29 PolarHBondContact O-N 3.09Å; Q29-K33 WeakPolarHBondContact O-CB 3.44Å; Q29-K33 PolarHBondContact O-N 2.82Å
30L63.8Low57.9Low107 Ų107107.8 Ų107.856%0.5657%0.565SS**Hα-helixtrans-66.7-39.1175.3-78.1164.7000112.5L26 Q27 S28 K34L26-L30 HydrophobicContact CG-CD1 4.16Å; L26-L30 WeakPolarHBondContact O-CB 3.25Å; L26-L30 WeakPolarHBondContact O-CG 3.34Å; L26-L30 PolarHBondContact O-N 2.85Å; Q27-L30 PolarHBondContact O-N 3.41Å; S28-L30 VanDerWaalsContact C-N 3.33Å; S28-L30 PolarHBondContact O-N 2.84Å; L30-K34 WeakPolarHBondContact O-CB 3.41Å; L30-K34 PolarHBondContact O-N 3.39Å
31K59.2Low57.7Low142 Ų142111.8 Ų111.862%0.61757%0.574SS**Hα-helixtrans-65.7-44.2175.3-74.4174.8-178.7176.10111.8Q27 S28 K34 A35Q27-K31 WeakPolarHBondContact O-CG 3.15Å; Q27-K31 PolarHBondContact O-N 3Å; S28-K31 PolarHBondContact O-N 3.45Å; K31-K34 PolarHBondContact O-N 3.42Å; K31-A35 PolarHBondContact O-N 3.11Å
32V60.3Low57.1Low98 Ų98111.4 Ų111.459%0.59458%0.582SS**Hα-helixtrans-62.4-45176.41750000111.4S28 K34 A35 A36S28-V32 WeakPolarHBondContact O-CG2 3.43Å; S28-V32 PolarHBondContact O-N 3.49Å; V32-K34 VanDerWaalsContact C-N 3.34Å; V32-K34 PolarHBondContact O-N 3.49Å; V32-A35 PolarHBondContact O-N 2.88Å; V32-A36 PolarHBondContact O-N 3.1Å
33K59.5Low56.9Low155 Ų155114.6 Ų114.667%0.67459%0.593SS**Hα-helixtrans-62.9-36.8175.6-79-178.5173.61780113Q29 L37Q29-K33 WeakPolarHBondContact O-CB 3.44Å; Q29-K33 PolarHBondContact O-N 2.82Å; K33-L37 PolarHBondContact O-N 3.24Å
34K58.9Low56.6Low163 Ų163119.6 Ų119.671%0.70961%0.608SS**Hα-helixtrans-67.4-35.2176.3-168.5173.8179.81780112.5L30 K31 V32L30-K34 WeakPolarHBondContact O-CB 3.41Å; L30-K34 PolarHBondContact O-N 3.39Å; K31-K34 PolarHBondContact O-N 3.42Å; V32-K34 VanDerWaalsContact C-N 3.34Å; V32-K34 PolarHBondContact O-N 3.49Å
35A52.8Low55.7Low54 Ų54119.4 Ų119.445%0.44661%0.612SS.*Hα-helixtrans-73.6-36.6176.900000113.4K31 V32 L37 T38K31-A35 PolarHBondContact O-N 3.11Å; V32-A35 PolarHBondContact O-N 2.88Å; A35-L37 VanDerWaalsContact C-N 3.31Å; A35-L37 PolarHBondContact O-N 2.95Å; A35-T38 PolarHBondContact O-OG1 3Å
36A56.7Low55.2Low62 Ų62123.8 Ų123.851%0.51263%0.626SS.*Hα-helixtrans-64.8-34.5176.400000112.6V32V32-A36 PolarHBondContact O-N 3.1Å
37L53.9Low54.4Low133 Ų133127.4 Ų127.470%0.69664%0.64SS**Hα-helixtrans-72.3-29-177.8-168.764.3000113.4K33 A35K33-L37 PolarHBondContact O-N 3.24Å; A35-L37 VanDerWaalsContact C-N 3.31Å; A35-L37 PolarHBondContact O-N 2.95Å
38T54.7Low53.2Low87 Ų87129.8 Ų129.853%0.53466%0.661SS.*Hα-helixtrans-77.1-34.8178.951.30000112.5A35 K41 T42A35-T38 PolarHBondContact O-OG1 3Å; T38-K41 PolarHBondContact O-N 3.3Å; T38-T42 PolarHBondContact O-OG1 2.99Å
39Q53.8Low52Low151 Ų151133.6 Ų133.671%0.70668%0.682SS**Hα-helixtrans-66.3-38.8176.5-68.5-175.1-14.100112.4K41 T42Q39-K41 VanDerWaalsContact C-N 3.26Å; Q39-K41 PolarHBondContact O-N 2.84Å; Q39-T42 PolarHBondContact O-N 2.99Å
40A48Very low51.1Low69 Ų69135 Ų13557%0.5770%0.697SS**Hα-helixtrans-65.9-22.9178.600000114.2
41K46.3Very low50.2Low149 Ų149137.7 Ų137.765%0.64871%0.712SS**Hα-helixtrans-83.5-27.7-179.1-163.3167.5-178.1178.50113.1T38 Q39T38-K41 PolarHBondContact O-N 3.3Å; Q39-K41 VanDerWaalsContact C-N 3.26Å; Q39-K41 PolarHBondContact O-N 2.84Å
42T44.2Very low49.3Very low110 Ų110135 Ų13568%0.67572%0.716SS**Hα-helixtrans-77.4-27-175.7-510000113.6T38 Q39 R44T38-T42 PolarHBondContact O-OG1 2.99Å; Q39-T42 PolarHBondContact O-N 2.99Å; T42-R44 PolarHBondContact O-N 2.91Å
43Q46.4Very low48.6Very low183 Ų183136.3 Ų136.386%0.85573%0.726SS**THydrogen-bonded Turntrans-75.9-16.4178.2-85.8-168.4-31.700114.8
44R46.8Very low47.5Very low229 Ų229135.4 Ų135.486%0.86473%0.733SS**THydrogen-bonded Turntrans-91.90.1-177.1-106.5-174.6177.9-170.9-0.9115.5T42T42-R44 PolarHBondContact O-N 2.91Å
45M41.9Very low46.7Very low150 Ų150134.7 Ų134.774%0.73974%0.736SS**SBendtrans-107.936.5-175.3-71.8-170.1154.900114.3
46K49.3Very low46.1Very low198 Ų198139.7 Ų139.786%0.86176%0.755SS**SBendtrans-128.610.1176.4-78.4-164.7174-173.50116
47Q50.5Low45.6Very low175 Ų175144.2 Ų144.282%0.81877%0.77SS**SBendtrans-137.9160.3166.2-70.2-174.9-24.100109.2
48T38.8Very low44.7Very low138 Ų138147.8 Ų147.885%0.84778%0.78SS**  trans76.163.7-176.580.10000117.3
49T44.7Very low43.9Very low146 Ų146155.7 Ų155.790%0.89680%0.8SS**  trans-9398.1148.5-56.80000108.2
50V43.4Very low42.9Very low136 Ų136152.3 Ų152.382%0.82481%0.805SS**  trans-138.8132.6166.6-170.10000107.9
51L44.8Very low42.2Very low164 Ų164152.8 Ų152.886%0.85982%0.817SS**PPolyproline II helixtrans-73.8153.5-173.5-70.1158.7000112.1
52A40.1Very low41.5Very low86 Ų86151 Ų15171%0.71182%0.824SS**PPolyproline II helixtrans-70.9144.4175.200000111.5V54A52-V54 PolarHBondContact O-N 2.76Å
53P44.3Very low41Very low125 Ų125151.2 Ų151.281%0.81283%0.829SS**PPolyproline II helixtrans-67127173.5-18.131.7000111.5
54V37.6Very low40.4Very low135 Ų135148.7 Ų148.782%0.81882%0.821SS**PPolyproline II helixtrans-78.6132.4167.9177.40000108.3A52A52-V54 PolarHBondContact O-N 2.76Å
55I42.2Very low39.9Very low149 Ų149144.4 Ų144.476%0.76482%0.816SS**PPolyproline II helixtrans-91.8118176.6-60.5173.6000108.5
56D39.8Very low39.7Very low158 Ų158147.2 Ų147.285%0.84582%0.818SS**PPolyproline II helixtrans-81134.4178.9-112.8-31.6000112.3
57L46.1Very low39Very low157 Ų157146.1 Ų146.182%0.82282%0.821SS**  trans-115.977.9-179.2-87.3152.8000110.7
58K35.8Very low38Very low208 Ų208142.8 Ų142.890%0.90482%0.817SS**  trans-172.2160.9157.2-116.8162-177.3173.40116.1
59R37Very low37.7Very low254 Ų254142.7 Ų142.796%0.95882%0.816SS**  trans84.3119.5168.7-154.9178.6-151.6-109.12.6114.2
60G32.5Very low37Very low80 Ų80143 Ų14383%0.82581%0.812SS**  cis176.6143.3-5.500000108.8
61G34.3Very low36.6Very low79 Ų79142.3 Ų142.381%0.81481%0.809SS**  trans-117.9178.6-162.300000117.8
62S31.6Very low36.5Very low112 Ų112140 Ų14078%0.78380%0.803SS**  trans-165.8112.9158.2-91.90000106
63S32.9Very low37.2Very low114 Ų114140.8 Ų140.880%0.79780%0.801SS**  64.9131.799710000113.4
64D33.8Very low36.8Very low129 Ų129144.2 Ų144.269%0.6981%0.806SS**  cis-153.1-161.11.1-165.3-2.9000108.3
65D36Very low36.6Very low139 Ų139142.2 Ų142.274%0.74380%0.804SS**  trans85.566.9170.3-66.4-40.9000118.5
66R37.3Very low36.3Very low210 Ų210139.6 Ų139.679%0.79280%0.804SS**  22.6120.7115.1-55.8170.2115.4129-0.8117.9
67L35.6Very low36.2Very low175 Ų175138.9 Ų138.992%0.91681%0.805SS**  -172.1147.7108.5-101158.1000112.1
68S28.8Very low35.5Very low104 Ų104134.9 Ų134.973%0.72780%0.801SS**  trans-103.7149.9-171.2-44.80000112.6
69T33.1Very low35.4Very low136 Ų136131.9 Ų131.983%0.83480%0.795SS**  trans175.5108136.234.70000106.6
70D30.6Very low35.5Very low153 Ų153127.6 Ų127.682%0.81878%0.783SS**  69.5115.878.4-89.3-39.6000117.2
71T33.7Very low35.5Very low122 Ų122131.5 Ų131.575%0.74879%0.785SS**  trans-56.4-178.4164.124.60000116.4
72P43Very low35.6Very low115 Ų115132 Ų13275%0.74778%0.781SS**  cis-138.4-123.2-24.836.3-11.6000113.7
73P55.7Low35.7Very low102 Ų102133 Ų13366%0.66278%0.782SS**  trans-113.3177.7-144.744.6-26.9000114.7
74H34.5Very low36.5Very low198 Ų198133.1 Ų133.192%0.91778%0.78SS**  trans-137.6144.5160.5-82.4-71.2000114.1
75A34.5Very low36.5Very low93 Ų93133.1 Ų133.177%0.76979%0.791SS**  trans-119.8159.9175.900000110.6
76A36.6Very low36.4Very low93 Ų93129.8 Ų129.877%0.76979%0.789SS**  trans87.1146.1145.200000121.1
77V36.1Very low36.5Very low144 Ų144130.5 Ų130.587%0.87380%0.798SS**  trans68.196157.4-167.30000119.4
78G31.5Very low36.4Very low72 Ų72127.5 Ų127.574%0.74279%0.792SS**  104.715096.700000120.9
79L34.8Very low37.3Very low145 Ų145128.3 Ų128.376%0.75980%0.798SS**  trans99.195.5143.4-140.765.6000119.8
80K38.7Very low37.4Very low165 Ų165125 Ų12572%0.71779%0.79SS**  trans48.5126.2143.677.1-158.4168.6-170.20121.7
81D32.7Very low37.8Very low162 Ų162124.5 Ų124.587%0.86679%0.788SS**  -167.4170.8112.6-96.1-17.6000111.8
82A36Very low38.2Very low88 Ų88125.6 Ų125.673%0.72779%0.794SS**  trans-154.4157.5-169.300000108.6
83V34.2Very low38.3Very low134 Ų134126.8 Ų126.881%0.81279%0.793SS**  cis-159.1-172.49.8-121.60000106.3
84P49.3Very low38.1Very low117 Ų117127.6 Ų127.676%0.7679%0.791SS**  cis-132.7158.8-25.734-17.8000113.3
85S33.7Very low38.9Very low129 Ų129124.1 Ų124.190%0.90279%0.786SS**  trans-165.4142.9153.2-162.10000113.5
86G34.1Very low39.6Very low69 Ų69126.1 Ų126.171%0.71178%0.783SS**  trans80.295.2158.100000117.6S88G86-S88 PolarHBondContact O-N 2.9Å
87F38.8Very low40.6Very low225 Ų225126.4 Ų126.499%0.98779%0.785SS**  trans-64.7116148.7-103.9-100.5000108.1
88S34.5Very low41.8Very low111 Ų111125.4 Ų125.478%0.77678%0.775SS**  trans-130.1118.5160.8-1720000108.7G86G86-S88 PolarHBondContact O-N 2.9Å
89S46.7Very low43.5Very low122 Ų122130.4 Ų130.485%0.85378%0.779SS**  trans-56.3135169-510000109.9
90G35.2Very low44.4Very low66 Ų66130.5 Ų130.568%0.6877%0.77SS**  trans171.385.8-177.500000112.2
91D39Very low45.5Very low142 Ų142126.6 Ų126.676%0.75976%0.757SS**  trans37.8102.8152.2-53-35000118.8L93D91-L93 HydrophobicContact CB-CG 4.35Å; D91-L93 PolarHBondContact O-N 3.03Å
92V43.3Very low46.9Very low145 Ų145123.5 Ų123.588%0.87975%0.746SS**  trans-70.479.2154.8-176.40000108.1I94V92-I94 VanDerWaalsContact C-N 3.33Å; V92-I94 PolarHBondContact O-N 2.85Å
93L44.5Very low48Very low140 Ų140126.7 Ų126.773%0.73375%0.748SS**  trans-64.793.1170.1-92.9160.8000109.2D91 P95D91-L93 HydrophobicContact CB-CG 4.35Å; D91-L93 PolarHBondContact O-N 3.03Å; L93-P95 WeakPolarHBondContact O-CD 3.41Å
94I51.6Low49.1Very low120 Ų120127.5 Ų127.562%0.61574%0.74SS**  trans-53.8125.4156.6-61.3168.3000106.3V92 L96V92-I94 VanDerWaalsContact C-N 3.33Å; V92-I94 PolarHBondContact O-N 2.85Å; I94-L96 VanDerWaalsContact C-N 3.29Å; I94-L96 PolarHBondContact O-N 3.48Å
95P51.6Low49.3Very low124 Ų124126 Ų12681%0.80573%0.73SS**  trans-65.788.4176.1-23.435.5000111.2L93 A97L93-P95 WeakPolarHBondContact O-CD 3.41Å; P95-A97 PolarHBondContact O-N 3.13Å
96L48.8Very low50.4Low136 Ų136125.8 Ų125.871%0.71272%0.719SS**  trans-72.793.6175.3-71.6171000108.4I94 D98 E99I94-L96 VanDerWaalsContact C-N 3.29Å; I94-L96 PolarHBondContact O-N 3.48Å; L96-D98 PolarHBondContact O-N 3.02Å; L96-E99 PolarHBondContact O-N 3.38Å
97A57.8Low51.7Low99 Ų99126.3 Ų126.382%0.81871%0.706SS**THydrogen-bonded Turntrans-70.516.5-173.300000115.9P95P95-A97 PolarHBondContact O-N 3.13Å
98D61.8Low52.3Low123 Ų123123.8 Ų123.866%0.65869%0.691SS**THydrogen-bonded Turntrans-144.251176.6-102.2-27.8000108.9L96 R114L96-D98 PolarHBondContact O-N 3.02Å; D98-R114 IonicContact OD1-NH1 2.94Å; D98-R114 IonicContact OD1-NH2 2.73Å; D98-R114 IonicContact OD2-CZ 3.7Å; D98-R114 IonicContact OD2-NH1 3.88Å; D98-R114 PolarHBondContact OD2-NH1 3.34Å; D98-R114 IonicContact OD2-NH2 3.91Å
99E65.9Low53.6Low177 Ų177125.7 Ų125.783%0.82769%0.688SS**  trans-72.2127.4168.9-167.6163.6-142.600109.7L96 D101L96-E99 PolarHBondContact O-N 3.38Å; E99-D101 PolarHBondContact O-N 2.95Å
100Y54.2Low54.7Low147 Ų147126 Ų12658%0.57667%0.674SS**  trans-74.8112-167.7178.8-96.9000112P102Y100-P102 HydrophobicContact CE1-CB 4.28Å; Y100-P102 VanDerWaalsContact O-CD 3.25Å; Y100-P102 WeakPolarHBondContact O-CD 2.82Å
101D61.9Low56.4Low82 Ų82126.4 Ų126.444%0.43966%0.663SS.*  trans-80.3109.5172.3-177.9-1.6000110.8E99 M103 F104E99-D101 PolarHBondContact O-N 2.95Å; D101-M103 PolarHBondContact O-N 2.89Å; D101-M103 WeakPolarHBondContact OD1-CB 3.45Å; D101-M103 PolarHBondContact OD1-N 3.31Å; D101-F104 CarbonylContact O-C 3.42Å; D101-F104 PolarHBondContact O-N 3.42Å; D101-F104 VanDerWaalsContact O-N 3.11Å
102P63.3Low58.1Low97 Ų97124.2 Ų124.263%0.6365%0.649SS**THydrogen-bonded Turntrans-69.1-11.518031.1-36.4000113.5Y100Y100-P102 HydrophobicContact CE1-CB 4.28Å; Y100-P102 VanDerWaalsContact O-CD 3.25Å; Y100-P102 WeakPolarHBondContact O-CD 2.82Å
103M57.4Low59.9Low156 Ų156123.3 Ų123.377%0.76863%0.634SS**THydrogen-bonded Turntrans-80.1-17.1172.9-63.4-172.959.900113D101D101-M103 PolarHBondContact O-N 2.89Å; D101-M103 WeakPolarHBondContact OD1-CB 3.45Å; D101-M103 PolarHBondContact OD1-N 3.31Å
104F58.1Low61.5Low150 Ų150123.9 Ų123.966%0.65863%0.626SS**SBendtrans-130.777.4174.3-77.3-84.5000111.6D101 N106D101-F104 CarbonylContact O-C 3.42Å; D101-F104 PolarHBondContact O-N 3.42Å; D101-F104 VanDerWaalsContact O-N 3.11Å; F104-N106 PolarHBondContact O-N 2.87Å
105P53Low62.9Low85 Ų85123.7 Ų123.755%0.55262%0.622SS**  trans-53.1137.2177.3-25.434.4000112.3D107P105-D107 PolarHBondContact O-N 3.21Å
106N58Low64.4Low125 Ų125127 Ų12767%0.66862%0.618SS**  trans-37.699.9-172.7-108.8-14000114.3F104 Y108F104-N106 PolarHBondContact O-N 2.87Å; N106-Y108 PolarHBondContact O-N 2.57Å
107D59.8Low66.2Low80 Ų80125.5 Ų125.543%0.42861%0.608SS.*  trans-75.997.8-174.8-162.50.3000109P105 E109 K110 V111P105-D107 PolarHBondContact O-N 3.21Å; D107-E109 PolarHBondContact O-N 3.42Å; D107-K110 HydrophobicContact CB-CD 3.97Å; D107-K110 HydrophobicContact CB-CG 4.18Å; D107-K110 WeakPolarHBondContact O-CB 3.2Å; D107-K110 PolarHBondContact O-N 3.28Å; D107-K110 WeakPolarHBondContact OD2-CE 3.3Å; D107-K110 IonicContact OD2-NZ 2.76Å; D107-K110 PolarHBondContact OD2-NZ 3.48Å; D107-V111 PolarHBondContact O-N 3.39Å
108Y53.1Low67.6Low172 Ų172125.5 Ų125.568%0.67559%0.591SS**Hα-helixtrans-51.7-32.9-166.5177.8-100.8000113.6N106 K110 V111 M112N106-Y108 PolarHBondContact O-N 2.57Å; Y108-K110 PolarHBondContact O-N 3.42Å; Y108-V111 PolarHBondContact O-N 3.15Å; Y108-M112 HydrophobicContact CD1-CG 4.15Å; Y108-M112 HydrophobicContact CE1-CG 3.79Å; Y108-M112 HydrophobicContact CE2-CG 4.2Å; Y108-M112 WeakPolarHBondContact O-CB 3.35Å; Y108-M112 WeakPolarHBondContact O-CG 3.35Å; Y108-M112 PolarHBondContact O-N 2.86Å
109E61.1Low68.6Low152 Ų152124.8 Ų124.871%0.7159%0.585SS**Hα-helixtrans-64.8-36.6175.8-61.1-161156.600113.1D107 K113D107-E109 PolarHBondContact O-N 3.42Å; E109-K113 WeakPolarHBondContact O-CB 3.42Å; E109-K113 PolarHBondContact O-N 3.21Å
110K69.8Low69.7Low128 Ų128121.5 Ų121.556%0.55757%0.57SS**Hα-helixtrans-69.1-39.9178.1-63.5-179.5-174.8135.40111.4D107 Y108 K113 R114D107-K110 HydrophobicContact CB-CD 3.97Å; D107-K110 HydrophobicContact CB-CG 4.18Å; D107-K110 WeakPolarHBondContact O-CB 3.2Å; D107-K110 PolarHBondContact O-N 3.28Å; D107-K110 WeakPolarHBondContact OD2-CE 3.3Å; D107-K110 IonicContact OD2-NZ 2.76Å; D107-K110 PolarHBondContact OD2-NZ 3.48Å; Y108-K110 PolarHBondContact O-N 3.42Å; K110-K113 PolarHBondContact O-N 2.92Å; K110-R114 WeakPolarHBondContact O-CB 3.44Å; K110-R114 PolarHBondContact O-N 3.31Å
111V70.9Confident71.5Confident74 Ų74121 Ų12145%0.44857%0.566SS.*Hα-helixtrans-65-47.2174.8-1800000110.6D107 Y108 K113 R114 H115D107-V111 PolarHBondContact O-N 3.39Å; Y108-V111 PolarHBondContact O-N 3.15Å; V111-K113 VanDerWaalsContact C-N 3.29Å; V111-K113 PolarHBondContact O-N 3.43Å; V111-R114 PolarHBondContact O-N 2.94Å; V111-H115 WeakPolarHBondContact O-CB 3.43Å; V111-H115 PolarHBondContact O-N 3.03Å
112M73.4Confident72.9Confident97 Ų97123.7 Ų123.748%0.47857%0.574SS.*Hα-helixtrans-63.1-34.9176.3-73.1-63.6-67.600112.6Y108 R116Y108-M112 HydrophobicContact CD1-CG 4.15Å; Y108-M112 HydrophobicContact CE1-CG 3.79Å; Y108-M112 HydrophobicContact CE2-CG 4.2Å; Y108-M112 WeakPolarHBondContact O-CB 3.35Å; Y108-M112 WeakPolarHBondContact O-CG 3.35Å; Y108-M112 PolarHBondContact O-N 2.86Å; M112-R116 VanDerWaalsContact O-CB 3.27Å; M112-R116 WeakPolarHBondContact O-CB 3.45Å; M112-R116 PolarHBondContact O-N 3.03Å
113K81.1Confident74.2Confident126 Ų126127.3 Ų127.355%0.54858%0.575SS.*Hα-helixtrans-66.8-50173-176.8177.8172.3-176.40111.6E109 K110 V111 H115 R116 E117E109-K113 WeakPolarHBondContact O-CB 3.42Å; E109-K113 PolarHBondContact O-N 3.21Å; K110-K113 PolarHBondContact O-N 2.92Å; V111-K113 VanDerWaalsContact C-N 3.29Å; V111-K113 PolarHBondContact O-N 3.43Å; K113-H115 VanDerWaalsContact C-N 3.33Å; K113-H115 PolarHBondContact O-N 3.23Å; K113-R116 PolarHBondContact O-N 3.28Å; K113-R116 VanDerWaalsContact O-N 3.13Å; K113-E117 WeakPolarHBondContact CE-OE1 3.46Å; K113-E117 HydrophobicContact CG-CG 4.44Å; K113-E117 WeakPolarHBondContact CG-OE1 3.32Å; K113-E117 IonicContact NZ-OE1 3.93Å; K113-E117 WeakPolarHBondContact O-CB 3.39Å; K113-E117 WeakPolarHBondContact O-CG 3.47Å; K113-E117 PolarHBondContact O-N 3.3Å
114R79.5Confident75.7Confident151 Ų151123.5 Ų123.557%0.5756%0.556SS**Hα-helixtrans-54.3-48.1175.9-168.2-169.6-118.3-178.12.9110.8D98 K110 V111 R116 E117 E118D98-R114 IonicContact OD1-NH1 2.94Å; D98-R114 IonicContact OD1-NH2 2.73Å; D98-R114 IonicContact OD2-CZ 3.7Å; D98-R114 IonicContact OD2-NH1 3.88Å; D98-R114 PolarHBondContact OD2-NH1 3.34Å; D98-R114 IonicContact OD2-NH2 3.91Å; K110-R114 WeakPolarHBondContact O-CB 3.44Å; K110-R114 PolarHBondContact O-N 3.31Å; V111-R114 PolarHBondContact O-N 2.94Å; R114-R116 PolarHBondContact O-N 3.02Å; R114-E117 PolarHBondContact O-N 3.42Å; R114-E118 WeakPolarHBondContact O-CB 3.35Å; R114-E118 PolarHBondContact O-N 2.98Å
115H80.5Confident77.2Confident116 Ų116121.3 Ų121.354%0.53755%0.548SS..Hα-helixtrans-65.3-37.6178.3-173.9-97.2000113V111 K113 M119V111-H115 WeakPolarHBondContact O-CB 3.43Å; V111-H115 PolarHBondContact O-N 3.03Å; K113-H115 VanDerWaalsContact C-N 3.33Å; K113-H115 PolarHBondContact O-N 3.23Å; H115-M119 WeakPolarHBondContact O-CB 3.27Å; H115-M119 WeakPolarHBondContact O-CG 3.08Å; H115-M119 PolarHBondContact O-N 2.61Å
116R83.1Confident78.9Confident193 Ų193123.4 Ų123.473%0.72855%0.55SS**Hα-helixtrans-68.5-42.9176.2-176.1176.8-179.5174.1-0.1112.2M112 K113 R114 Q120M112-R116 VanDerWaalsContact O-CB 3.27Å; M112-R116 WeakPolarHBondContact O-CB 3.45Å; M112-R116 PolarHBondContact O-N 3.03Å; K113-R116 PolarHBondContact O-N 3.28Å; K113-R116 VanDerWaalsContact O-N 3.13Å; R114-R116 PolarHBondContact O-N 3.02Å; R116-Q120 WeakPolarHBondContact O-CB 3.28Å; R116-Q120 PolarHBondContact O-N 2.73Å
117E87.1Confident80.5Confident105 Ų105123 Ų12349%0.49154%0.539SS..Hα-helixtrans-66.3-39.7176.4-73.5172.5176.900111.2K113 R114 Q120 R121K113-E117 WeakPolarHBondContact CE-OE1 3.46Å; K113-E117 HydrophobicContact CG-CG 4.44Å; K113-E117 WeakPolarHBondContact CG-OE1 3.32Å; K113-E117 IonicContact NZ-OE1 3.93Å; K113-E117 WeakPolarHBondContact O-CB 3.39Å; K113-E117 WeakPolarHBondContact O-CG 3.47Å; K113-E117 PolarHBondContact O-N 3.3Å; R114-E117 PolarHBondContact O-N 3.42Å; E117-Q120 PolarHBondContact O-N 3.35Å; E117-R121 WeakPolarHBondContact O-CB 3.3Å; E117-R121 PolarHBondContact O-N 3.41Å
118E86.8Confident82Confident100 Ų100125.9 Ų125.947%0.46755%0.55SS.*Hα-helixtrans-65.5-44175.6179.9158-13200112.8R114 Q120 R121 K122R114-E118 WeakPolarHBondContact O-CB 3.35Å; R114-E118 PolarHBondContact O-N 2.98Å; E118-Q120 VanDerWaalsContact C-N 3.28Å; E118-Q120 PolarHBondContact O-N 3.37Å; E118-R121 PolarHBondContact O-N 2.81Å; E118-R121 IonicContact OE1-NH2 3.91Å; E118-R121 PolarHBondContact OE1-NH2 2.92Å; E118-K122 WeakPolarHBondContact O-CB 3.36Å; E118-K122 PolarHBondContact O-N 3.26Å
119M82.6Confident83.8Confident107 Ų107124.3 Ų124.353%0.52755%0.547SS..Hα-helixtrans-62.6-35.3173.7-76.9-63.4-64.900112.3H115 R123H115-M119 WeakPolarHBondContact O-CB 3.27Å; H115-M119 WeakPolarHBondContact O-CG 3.08Å; H115-M119 PolarHBondContact O-N 2.61Å; M119-R123 PolarHBondContact O-N 2.98Å
120Q90Very high85.3Confident108 Ų108122.9 Ų122.951%0.50554%0.54SS..Hα-helixtrans-69-46.9174-178.5169.8-20.100111.7R116 E117 E118 K122 R123 E124R116-Q120 WeakPolarHBondContact O-CB 3.28Å; R116-Q120 PolarHBondContact O-N 2.73Å; E117-Q120 PolarHBondContact O-N 3.35Å; E118-Q120 VanDerWaalsContact C-N 3.28Å; E118-Q120 PolarHBondContact O-N 3.37Å; Q120-K122 VanDerWaalsContact C-N 3.32Å; Q120-K122 PolarHBondContact O-N 3.42Å; Q120-R123 CarbonylContact O-C 3.43Å; Q120-R123 WeakPolarHBondContact O-CB 3.47Å; Q120-R123 PolarHBondContact O-N 3.26Å; Q120-R123 VanDerWaalsContact O-N 3.12Å; Q120-E124 VanDerWaalsContact CG-OE1 3.29Å; Q120-E124 WeakPolarHBondContact CG-OE1 3.49Å; Q120-E124 PolarHBondContact NE2-OE1 3.43Å; Q120-E124 PolarHBondContact O-N 3.31Å
121R92Very high86.3Confident136 Ų136122 Ų12251%0.51354%0.541SS..Hα-helixtrans-57.7-43.1175.8-175.4-176.669.5169.4-2.9111.6E117 E118 R123 E124 Q125E117-R121 WeakPolarHBondContact O-CB 3.3Å; E117-R121 PolarHBondContact O-N 3.41Å; E118-R121 PolarHBondContact O-N 2.81Å; E118-R121 IonicContact OE1-NH2 3.91Å; E118-R121 PolarHBondContact OE1-NH2 2.92Å; R121-R123 VanDerWaalsContact C-N 3.33Å; R121-R123 PolarHBondContact O-N 3.18Å; R121-E124 PolarHBondContact O-N 3.48Å; R121-Q125 WeakPolarHBondContact O-CG 3.46Å; R121-Q125 PolarHBondContact O-N 3.35Å
122K91.4Very high87.3Confident139 Ų139124.8 Ų124.860%0.60455%0.548SS*.Hα-helixtrans-59.9-43.9175.7-173.7175.6-178.1176.20111.4E118 Q120 E124 Q125 E126E118-K122 WeakPolarHBondContact O-CB 3.36Å; E118-K122 PolarHBondContact O-N 3.26Å; Q120-K122 VanDerWaalsContact C-N 3.32Å; Q120-K122 PolarHBondContact O-N 3.42Å; K122-E124 VanDerWaalsContact C-N 3.32Å; K122-E124 PolarHBondContact O-N 3.46Å; K122-Q125 PolarHBondContact O-N 3.06Å; K122-E126 WeakPolarHBondContact O-CB 3.45Å; K122-E126 PolarHBondContact O-N 3.02Å
123R88.8Confident88.1Confident173 Ų173126.5 Ų126.565%0.65356%0.555SS**Hα-helixtrans-69.9-28177.1-156.5-178.4-156.8-167.36.2113.3M119 Q120 R121 R127M119-R123 PolarHBondContact O-N 2.98Å; Q120-R123 CarbonylContact O-C 3.43Å; Q120-R123 WeakPolarHBondContact O-CB 3.47Å; Q120-R123 PolarHBondContact O-N 3.26Å; Q120-R123 VanDerWaalsContact O-N 3.12Å; R121-R123 VanDerWaalsContact C-N 3.33Å; R121-R123 PolarHBondContact O-N 3.18Å; R123-R127 VanDerWaalsContact C-NH1 3.34Å; R123-R127 WeakPolarHBondContact O-CG 3.29Å; R123-R127 PolarHBondContact O-N 3.06Å; R123-R127 PolarHBondContact O-NH1 3.04Å
124E89.4Confident88.3Confident76 Ų76128.7 Ų128.736%0.35556%0.56SS.*Hα-helixtrans-73.6-45172.5-83.4158.6-161.300111.2Q120 R121 K122 E126 R127 Q128Q120-E124 VanDerWaalsContact CG-OE1 3.29Å; Q120-E124 WeakPolarHBondContact CG-OE1 3.49Å; Q120-E124 PolarHBondContact NE2-OE1 3.43Å; Q120-E124 PolarHBondContact O-N 3.31Å; R121-E124 PolarHBondContact O-N 3.48Å; K122-E124 VanDerWaalsContact C-N 3.32Å; K122-E124 PolarHBondContact O-N 3.46Å; E124-E126 VanDerWaalsContact C-N 3.32Å; E124-E126 PolarHBondContact O-N 3.22Å; E124-R127 PolarHBondContact O-N 3.38Å; E124-R127 IonicContact OE1-NH2 2.85Å; E124-Q128 WeakPolarHBondContact O-CB 3.13Å; E124-Q128 PolarHBondContact O-N 3.03Å
125Q89.4Confident88.8Confident104 Ų104127.8 Ų127.849%0.48656%0.563SS.*Hα-helixtrans-60.4-38.2172.3-72176.9200112.8R121 K122 Q128 K129R121-Q125 WeakPolarHBondContact O-CG 3.46Å; R121-Q125 PolarHBondContact O-N 3.35Å; K122-Q125 PolarHBondContact O-N 3.06Å; Q125-Q128 PolarHBondContact O-N 3.14Å; Q125-K129 WeakPolarHBondContact O-CB 3.44Å; Q125-K129 WeakPolarHBondContact O-CG 3.31Å; Q125-K129 PolarHBondContact O-N 3.4Å
126E89.6Confident89.4Confident130 Ų130129.4 Ų129.461%0.60757%0.568SS**Hα-helixtrans-61.5-47.4174.3-172.8176.9-159.700111.5K122 E124 Q128 K129 E130K122-E126 WeakPolarHBondContact O-CB 3.45Å; K122-E126 PolarHBondContact O-N 3.02Å; E124-E126 VanDerWaalsContact C-N 3.32Å; E124-E126 PolarHBondContact O-N 3.22Å; E126-Q128 PolarHBondContact O-N 3.15Å; E126-K129 PolarHBondContact O-N 3.2Å; E126-E130 PolarHBondContact O-N 2.88Å
127R90.8Very high89.4Confident117 Ų117127.2 Ų127.244%0.44256%0.56SS.*Hα-helixtrans-64.4-38.2173.7-68.8-167.6-47.5-81.815.9112.7R123 E124 K129 E130 I131R123-R127 VanDerWaalsContact C-NH1 3.34Å; R123-R127 WeakPolarHBondContact O-CG 3.29Å; R123-R127 PolarHBondContact O-N 3.06Å; R123-R127 PolarHBondContact O-NH1 3.04Å; E124-R127 PolarHBondContact O-N 3.38Å; E124-R127 IonicContact OE1-NH2 2.85Å; R127-K129 VanDerWaalsContact C-N 3.35Å; R127-E130 PolarHBondContact O-N 3.49Å; R127-I131 WeakPolarHBondContact O-CD1 3.42Å; R127-I131 VanDerWaalsContact O-CG1 3.25Å; R127-I131 WeakPolarHBondContact O-CG1 3.27Å; R127-I131 PolarHBondContact O-N 3.09Å
128Q91.1Very high89.1Confident139 Ų139130.7 Ų130.765%0.6557%0.568SS**Hα-helixtrans-61.1-46.2177.4-159.192.520.600110.3E124 Q125 E126 I131 E132E124-Q128 WeakPolarHBondContact O-CB 3.13Å; E124-Q128 PolarHBondContact O-N 3.03Å; Q125-Q128 PolarHBondContact O-N 3.14Å; E126-Q128 PolarHBondContact O-N 3.15Å; Q128-I131 PolarHBondContact O-N 3.3Å; Q128-E132 WeakPolarHBondContact O-CB 3.42Å; Q128-E132 PolarHBondContact O-N 2.85Å
129K92.8Very high89.1Confident139 Ų139132.3 Ų132.360%0.60457%0.574SS**Hα-helixtrans-65.3-39.8176.2-74179.5177.4-1720112.8Q125 E126 R127 I131 E132 E133Q125-K129 WeakPolarHBondContact O-CB 3.44Å; Q125-K129 WeakPolarHBondContact O-CG 3.31Å; Q125-K129 PolarHBondContact O-N 3.4Å; E126-K129 PolarHBondContact O-N 3.2Å; R127-K129 VanDerWaalsContact C-N 3.35Å; K129-I131 VanDerWaalsContact C-N 3.31Å; K129-I131 PolarHBondContact O-N 3.31Å; K129-E132 PolarHBondContact O-N 3.21Å; K129-E133 VanDerWaalsContact O-CB 3.25Å; K129-E133 WeakPolarHBondContact O-CB 3.38Å; K129-E133 PolarHBondContact O-N 3.42Å
130E91.1Very high88.9Confident123 Ų123133.3 Ų133.358%0.57558%0.577SS**Hα-helixtrans-61.1-40.1174.7-171.3-168.9166.900111.6E126 R127 R134E126-E130 PolarHBondContact O-N 2.88Å; R127-E130 PolarHBondContact O-N 3.49Å; E130-R134 VanDerWaalsContact O-CB 3.25Å; E130-R134 WeakPolarHBondContact O-CB 3.47Å; E130-R134 PolarHBondContact O-N 3.14Å
131I90.9Very high88.1Confident110 Ų110136.1 Ų136.156%0.56458%0.583SS**Hα-helixtrans-67.6-47.9176.1-67.4163.3000110.6R127 Q128 K129 R134 E135R127-I131 WeakPolarHBondContact O-CD1 3.42Å; R127-I131 VanDerWaalsContact O-CG1 3.25Å; R127-I131 WeakPolarHBondContact O-CG1 3.27Å; R127-I131 PolarHBondContact O-N 3.09Å; Q128-I131 PolarHBondContact O-N 3.3Å; K129-I131 VanDerWaalsContact C-N 3.31Å; K129-I131 PolarHBondContact O-N 3.31Å; I131-R134 PolarHBondContact O-N 3.46Å; I131-E135 WeakPolarHBondContact O-CB 3.36Å; I131-E135 PolarHBondContact O-N 3.46Å
132E91.7Very high87Confident131 Ų131137.8 Ų137.861%0.61260%0.597SS**Hα-helixtrans-61.6-42.4178.3-173.8-177.6179.500112Q128 K129 E135 K136Q128-E132 WeakPolarHBondContact O-CB 3.42Å; Q128-E132 PolarHBondContact O-N 2.85Å; K129-E132 PolarHBondContact O-N 3.21Å; E132-E135 PolarHBondContact O-N 3.12Å; E132-K136 VanDerWaalsContact O-CB 3.31Å; E132-K136 WeakPolarHBondContact O-CB 3.35Å; E132-K136 PolarHBondContact O-N 2.86Å
133E90.9Very high85.8Confident134 Ų134137.8 Ų137.863%0.62660%0.598SS**Hα-helixtrans-63.2-43.1174.5-173.9-172.4169.600111.4K129 E135 K136 R137K129-E133 VanDerWaalsContact O-CB 3.25Å; K129-E133 WeakPolarHBondContact O-CB 3.38Å; K129-E133 PolarHBondContact O-N 3.42Å; E133-E135 VanDerWaalsContact C-N 3.31Å; E133-E135 PolarHBondContact O-N 3.22Å; E133-K136 PolarHBondContact O-N 2.98Å; E133-R137 VanDerWaalsContact O-CB 3.23Å; E133-R137 WeakPolarHBondContact O-CB 3.27Å; E133-R137 PolarHBondContact O-N 3.24Å
134R86.1Confident84.2Confident171 Ų171132 Ų13265%0.64559%0.593SS**Hα-helixtrans-65.1-35.4177-171.8-177.5-173.3104.8-0.3112.2E130 I131 R138E130-R134 VanDerWaalsContact O-CB 3.25Å; E130-R134 WeakPolarHBondContact O-CB 3.47Å; E130-R134 PolarHBondContact O-N 3.14Å; I131-R134 PolarHBondContact O-N 3.46Å; R134-R138 WeakPolarHBondContact O-CG 3.26Å; R134-R138 PolarHBondContact O-N 3.39Å
135E89.6Confident82.1Confident133 Ų133131.6 Ų131.662%0.62161%0.609SS**Hα-helixtrans-71.8-46.9174.5-170.7174.3175.100111.3I131 E132 E133 R137 R138 K139I131-E135 WeakPolarHBondContact O-CB 3.36Å; I131-E135 PolarHBondContact O-N 3.46Å; E132-E135 PolarHBondContact O-N 3.12Å; E133-E135 VanDerWaalsContact C-N 3.31Å; E133-E135 PolarHBondContact O-N 3.22Å; E135-R137 VanDerWaalsContact C-N 3.3Å; E135-R137 PolarHBondContact O-N 3.27Å; E135-R138 CarbonylContact O-C 3.58Å; E135-R138 WeakPolarHBondContact O-CA 3.44Å; E135-R138 WeakPolarHBondContact O-CB 3.4Å; E135-R138 PolarHBondContact O-N 3.34Å; E135-K139 PolarHBondContact O-N 2.99Å
136K91.5Very high80Confident150 Ų150131.1 Ų131.165%0.65262%0.623SS**Hα-helixtrans-54-46.5172.5-176.2-178.3176.7-174.80111.4E132 E133 R138 K139 E140E132-K136 VanDerWaalsContact O-CB 3.31Å; E132-K136 WeakPolarHBondContact O-CB 3.35Å; E132-K136 PolarHBondContact O-N 2.86Å; E133-K136 PolarHBondContact O-N 2.98Å; K136-R138 PolarHBondContact O-N 2.66Å; K136-K139 PolarHBondContact O-N 3.31Å; K136-K139 VanDerWaalsContact O-N 3.16Å; K136-E140 WeakPolarHBondContact O-CB 3.27Å; K136-E140 PolarHBondContact O-N 3.06Å
137R83.8Confident78Confident146 Ų146131 Ų13155%0.55163%0.634SS**Hα-helixtrans-69.5-13.5177-172172.2178.9-937.6114.1E133 E135 R141E133-R137 VanDerWaalsContact O-CB 3.23Å; E133-R137 WeakPolarHBondContact O-CB 3.27Å; E133-R137 PolarHBondContact O-N 3.24Å; E135-R137 VanDerWaalsContact C-N 3.3Å; E135-R137 PolarHBondContact O-N 3.27Å; R137-R141 VanDerWaalsContact CZ-NH2 3.32Å; R137-R141 WeakPolarHBondContact O-CD 3.19Å; R137-R141 WeakPolarHBondContact O-CG 3.39Å; R137-R141 PolarHBondContact O-NE 2.71Å
138R81.6Confident75.9Confident179 Ų179131.7 Ų131.768%0.67566%0.656SS**Hα-helixtrans-85.6-46.3166.2-80.1175.9162.7-171.8-6.8110.9R134 E135 K136 E140 R141 H142R134-R138 WeakPolarHBondContact O-CG 3.26Å; R134-R138 PolarHBondContact O-N 3.39Å; E135-R138 CarbonylContact O-C 3.58Å; E135-R138 WeakPolarHBondContact O-CA 3.44Å; E135-R138 WeakPolarHBondContact O-CB 3.4Å; E135-R138 PolarHBondContact O-N 3.34Å; K136-R138 PolarHBondContact O-N 2.66Å; R138-E140 VanDerWaalsContact C-N 3.34Å; R138-E140 PolarHBondContact O-N 3.28Å; R138-R141 WeakPolarHBondContact O-CB 3.4Å; R138-R141 PolarHBondContact O-N 3.22Å; R138-H142 PolarHBondContact O-N 3.23Å
139K85.3Confident73.7Confident133 Ų133128 Ų12858%0.57866%0.656SS**Hα-helixtrans-58.4-45.5177.1-173.7178177.5-169.70111.6E135 K136 R141 H142 E143E135-K139 PolarHBondContact O-N 2.99Å; K136-K139 PolarHBondContact O-N 3.31Å; K136-K139 VanDerWaalsContact O-N 3.16Å; K139-R141 PolarHBondContact O-N 3Å; K139-H142 CarbonylContact O-C 3.58Å; K139-H142 WeakPolarHBondContact O-CA 3.46Å; K139-H142 WeakPolarHBondContact O-CB 3.47Å; K139-H142 PolarHBondContact O-N 3.02Å; K139-E143 WeakPolarHBondContact CE-OE2 3.46Å; K139-E143 IonicContact NZ-OE2 3.6Å; K139-E143 WeakPolarHBondContact O-CB 3.41Å; K139-E143 PolarHBondContact O-N 3Å
140E78.9Confident71.1Confident128 Ų128131.6 Ų131.660%0.59867%0.672SS**Hα-helixtrans-57.4-33.2177.3-173.3176.9-159.200113.2K136 R138 H142 G144K136-E140 WeakPolarHBondContact O-CB 3.27Å; K136-E140 PolarHBondContact O-N 3.06Å; R138-E140 VanDerWaalsContact C-N 3.34Å; R138-E140 PolarHBondContact O-N 3.28Å; E140-H142 VanDerWaalsContact C-N 3.35Å; E140-G144 WeakPolarHBondContact O-CA 3.39Å; E140-G144 PolarHBondContact O-N 3.01Å
141R73.6Confident68.6Low167 Ų167130.5 Ų130.563%0.6368%0.678SS**Hα-helixtrans-75.9-21.7173.8-65.9170.8-171.4-93.8-14.1113.9R137 R138 K139R137-R141 VanDerWaalsContact CZ-NH2 3.32Å; R137-R141 WeakPolarHBondContact O-CD 3.19Å; R137-R141 WeakPolarHBondContact O-CG 3.39Å; R137-R141 PolarHBondContact O-NE 2.71Å; R138-R141 WeakPolarHBondContact O-CB 3.4Å; R138-R141 PolarHBondContact O-N 3.22Å; K139-R141 PolarHBondContact O-N 3Å
142H69.8Low66.5Low172 Ų172136.7 Ų136.780%0.79669%0.694SS**Hα-helixtrans-94.7-24.9-179.3-164.4-63.4000111.7R138 K139 E140R138-H142 PolarHBondContact O-N 3.23Å; K139-H142 CarbonylContact O-C 3.58Å; K139-H142 WeakPolarHBondContact O-CA 3.46Å; K139-H142 WeakPolarHBondContact O-CB 3.47Å; K139-H142 PolarHBondContact O-N 3.02Å; E140-H142 VanDerWaalsContact C-N 3.35Å
143E66Low63.6Low138 Ų138140.3 Ų140.365%0.64571%0.708SS**Hα-helixtrans-94.9-34.1178.6-165.4166.1-164.300111.4K139 G145K139-E143 WeakPolarHBondContact CE-OE2 3.46Å; K139-E143 IonicContact NZ-OE2 3.6Å; K139-E143 WeakPolarHBondContact O-CB 3.41Å; K139-E143 PolarHBondContact O-N 3Å; E143-G145 VanDerWaalsContact C-N 3.3Å; E143-G145 PolarHBondContact O-N 3.17Å
144G55Low61.5Low53 Ų53138.6 Ų138.655%0.54671%0.709SS.*SBendtrans-7675.516800000111.9E140 A146E140-G144 WeakPolarHBondContact O-CA 3.39Å; E140-G144 PolarHBondContact O-N 3.01Å; G144-A146 PolarHBondContact O-N 3.04Å
145G45.3Very low59Low67 Ų67134.6 Ų134.669%0.69171%0.712SS**PPolyproline II helixtrans-52.1124.9-175.400000113.9E143E143-G145 VanDerWaalsContact C-N 3.3Å; E143-G145 PolarHBondContact O-N 3.17Å
146A45Very low56.1Low94 Ų94134 Ų13478%0.77772%0.718SS**PPolyproline II helixtrans-66.5133.2172.300000110.3G144 S148G144-A146 PolarHBondContact O-N 3.04Å; A146-S148 PolarHBondContact O-N 3.24Å
147P46.9Very low53.6Low127 Ų127134.6 Ų134.683%0.82572%0.723SS**PPolyproline II helixtrans-67.4130.3173.627.9-33000110.1G149P147-G149 PolarHBondContact O-N 2.72Å
148S47.2Very low51.5Low131 Ų131136.6 Ų136.692%0.91674%0.739SS**PPolyproline II helixtrans-57127.5172.7175.70000111.6A146A146-S148 PolarHBondContact O-N 3.24Å
149G44.4Very low49.2Very low63 Ų63134.6 Ų134.665%0.64974%0.741SS**  trans-178.8124.8171.700000111.9P147P147-G149 PolarHBondContact O-N 2.72Å
150F38.7Very low47.1Very low213 Ų213133.6 Ų133.693%0.93475%0.751SS**SBendtrans68.5101.8-176.8-124.3-106.6000113.4
151S38.3Very low45.4Very low100 Ų100134 Ų13470%0.69976%0.757SS**  cis-149.3143.918.9-60.50000112.1
152R47Very low43.8Very low241 Ų241133.8 Ų133.891%0.90976%0.763SS**  trans-103.7141.3163-76.5-175.1174-163.3-1.9109.7
153F30.1Very low42.5Very low206 Ų206134.1 Ų134.190%0.90477%0.765SS**  trans-161.8159.7131.6-121.4-123000107.9
154P47.1Very low41.6Very low98 Ų98134 Ų13464%0.63677%0.765SS**  -133.5-172.7-124.337.4-16.8000114.9
155A34.4Very low41.1Very low87 Ų87138.8 Ų138.872%0.71977%0.773SS**  trans71.2145.4170.300000114.3
156T28.8Very low41.1Very low120 Ų120143.7 Ų143.774%0.73677%0.772SS**  cis-167.1153.24.26.50000108.1
157E38Very low41.7Very low164 Ų164145.4 Ų145.477%0.76676%0.764SS**  trans40.9146.5154.5-49.1-59.8129.600121.4
158E40.6Very low42Very low188 Ų188144.7 Ų144.788%0.87975%0.747SS**  trans61.8120.5171.2-59.2173.3134.600114.4
159D31.9Very low42.1Very low137 Ų137143.1 Ų143.173%0.73373%0.726SS**  -162.9157.557.5-141.8-29000111.3
160S42.2Very low42.1Very low112 Ų112149.4 Ų149.478%0.78373%0.73SS**SBendtrans-106.74.3-169.2-169.60000115.4
161D42.6Very low42.7Very low136 Ų136148.3 Ų148.373%0.72772%0.72SS**  trans-121.67.4-162.6-77.7-24.9000116
162E40.5Very low43.2Very low162 Ų162151.7 Ų151.776%0.75772%0.722SS**SBendtrans-83-22.8-176.2-65.7-161.3163.900115.8E164 E165E162-E164 VanDerWaalsContact C-N 3.3Å; E162-E164 PolarHBondContact O-N 3.27Å; E162-E165 PolarHBondContact O-N 3.38Å
163E43.4Very low43.3Very low179 Ų179148.9 Ų148.984%0.83671%0.711SS**Hα-helixtrans-67.3-28.1-177.4-71.9-163.8149.300113.2E165E163-E165 VanDerWaalsContact C-N 3.33Å; E163-E165 PolarHBondContact O-N 3Å
164E46.2Very low44Very low137 Ų137143.7 Ų143.764%0.6470%0.701SS**Hα-helixtrans-77.7-14.3-175.8-129.5-157.5-138.600114.2E162 K168E162-E164 VanDerWaalsContact C-N 3.3Å; E162-E164 PolarHBondContact O-N 3.27Å; E164-K168 WeakPolarHBondContact O-CD 3.39Å; E164-K168 PolarHBondContact O-NZ 2.79Å; E164-K168 IonicContact OE2-NZ 2.63Å; E164-K168 PolarHBondContact OE2-NZ 3.39Å
165E44.6Very low44.1Very low152 Ų152147.6 Ų147.671%0.7171%0.712SS**Hα-helixtrans-84.8-37.1175.3-173.6153.5-143.800111.8E162 E163 E167 K168 E169E162-E165 PolarHBondContact O-N 3.38Å; E163-E165 VanDerWaalsContact C-N 3.33Å; E163-E165 PolarHBondContact O-N 3Å; E165-E167 PolarHBondContact O-N 3.43Å; E165-K168 PolarHBondContact O-N 2.96Å; E165-E169 PolarHBondContact O-N 2.64Å
166Y45.8Very low44.3Very low170 Ų170146.4 Ų146.467%0.66771%0.709SS**Hα-helixtrans-63.4-40.2-178.1-158-99.4000112.9E169 W170Y166-E169 PolarHBondContact O-N 2.62Å; Y166-W170 PolarHBondContact O-N 3.35Å
167E56.8Low45.1Very low131 Ų131144.7 Ų144.761%0.61272%0.715SS**Hα-helixtrans-69.4-32.2176-74.9-155.2125.500113.3E165 E169 R171E165-E167 PolarHBondContact O-N 3.43Å; E167-E169 VanDerWaalsContact C-N 3.34Å; E167-R171 WeakPolarHBondContact O-CG 3.47Å; E167-R171 PolarHBondContact O-N 3.02Å; E167-R171 VanDerWaalsContact O-N 3.09Å
168K53.8Low45.1Very low111 Ų111141.7 Ų141.748%0.48372%0.718SS.*Hα-helixtrans-68.8-35.4173.2-72.4169.3-168.6138.80111.1E164 E165 K172E164-K168 WeakPolarHBondContact O-CD 3.39Å; E164-K168 PolarHBondContact O-NZ 2.79Å; E164-K168 IonicContact OE2-NZ 2.63Å; E164-K168 PolarHBondContact OE2-NZ 3.39Å; E165-K168 PolarHBondContact O-N 2.96Å; K168-K172 WeakPolarHBondContact O-CG 3.17Å; K168-K172 PolarHBondContact O-N 2.91Å
169E49.2Very low45.5Very low98 Ų98137.3 Ų137.346%0.45871%0.714SS.*Hα-helixtrans-71-42.4176.4-130.1-149.5152.200112.5E165 Y166 E167 R171 K172 R173E165-E169 PolarHBondContact O-N 2.64Å; Y166-E169 PolarHBondContact O-N 2.62Å; E167-E169 VanDerWaalsContact C-N 3.34Å; E169-R171 PolarHBondContact O-N 3.33Å; E169-K172 PolarHBondContact O-N 3.23Å; E169-R173 VanDerWaalsContact CD-NH2 3.34Å; E169-R173 PolarHBondContact O-N 2.93Å; E169-R173 IonicContact OE1-CZ 3.8Å; E169-R173 IonicContact OE1-NH2 2.66Å; E169-R173 PolarHBondContact OE1-NH2 3.41Å; E169-R173 IonicContact OE2-NH2 2.7Å
170W43.6Very low46.1Very low195 Ų195138.7 Ų138.774%0.73972%0.72SS**Hα-helixtrans-57.9-48.2173.8176.9-90.1000111.8Y166 K172 R173Y166-W170 PolarHBondContact O-N 3.35Å; W170-K172 VanDerWaalsContact C-N 3.33Å; W170-K172 PolarHBondContact O-N 3.16Å; W170-R173 PolarHBondContact O-N 2.62Å; W170-R173 VanDerWaalsContact O-N 3.09Å
171R52.4Low46.5Very low191 Ų191137.2 Ų137.272%0.72172%0.715SS**Hα-helixtrans-63.8-33.7179.7-76.4-176.1177.7-171.62.9113.3E167 E169 R173E167-R171 WeakPolarHBondContact O-CG 3.47Å; E167-R171 PolarHBondContact O-N 3.02Å; E167-R171 VanDerWaalsContact O-N 3.09Å; E169-R171 PolarHBondContact O-N 3.33Å; R171-R173 VanDerWaalsContact C-N 3.3Å; R171-R173 PolarHBondContact O-N 3.13Å
172K47.3Very low47Very low170 Ų170135.6 Ų135.674%0.73971%0.711SS**Hα-helixtrans-67.1-29.6173.8-76.5173.3-179.3171.20112.8K168 E169 W170 S174K168-K172 WeakPolarHBondContact O-CG 3.17Å; K168-K172 PolarHBondContact O-N 2.91Å; E169-K172 PolarHBondContact O-N 3.23Å; W170-K172 VanDerWaalsContact C-N 3.33Å; W170-K172 PolarHBondContact O-N 3.16Å; K172-S174 VanDerWaalsContact C-N 3.34Å; K172-S174 PolarHBondContact O-N 3.24Å
173R49.1Very low47.5Very low182 Ų182132.9 Ų132.969%0.68771%0.708SS**Hα-helixtrans-80.5-10-176.5-133.4169.3-82.5-147.60.1114.3E169 W170 R171E169-R173 VanDerWaalsContact CD-NH2 3.34Å; E169-R173 PolarHBondContact O-N 2.93Å; E169-R173 IonicContact OE1-CZ 3.8Å; E169-R173 IonicContact OE1-NH2 2.66Å; E169-R173 PolarHBondContact OE1-NH2 3.41Å; E169-R173 IonicContact OE2-NH2 2.7Å; W170-R173 PolarHBondContact O-N 2.62Å; W170-R173 VanDerWaalsContact O-N 3.09Å; R171-R173 VanDerWaalsContact C-N 3.3Å; R171-R173 PolarHBondContact O-N 3.13Å
174S46.3Very low48.1Very low98 Ų98129.6 Ų129.669%0.68571%0.705SS**THydrogen-bonded Turntrans-90.4-3.7178.9-168.40000115.3K172K172-S174 VanDerWaalsContact C-N 3.34Å; K172-S174 PolarHBondContact O-N 3.24Å
175M48.7Very low48.5Very low179 Ų179128.3 Ų128.388%0.88271%0.711SS**SBendtrans-11637.4-178.6-85.2-73.5-7600112.6
176G39.1Very low48.8Very low62 Ų62128.2 Ų128.264%0.63971%0.714SS**  trans-135.7102.9177.400000111.9A178G176-A178 PolarHBondContact O-N 3.41Å
177G45.6Very low48.5Very low84 Ų84126 Ų12687%0.86672%0.718SS**  trans-69114.2173.300000111.1A179G177-A179 PolarHBondContact O-N 3.27Å
178A38.5Very low47.7Very low102 Ų102127.8 Ų127.884%0.84373%0.732SS**  trans-71.296.2178.200000111.3G176G176-A178 PolarHBondContact O-N 3.41Å
179A47.1Very low47Very low96 Ų96133.8 Ų133.879%0.79375%0.752SS**  trans-68.4129.1167.300000109.9G177 A181G177-A179 PolarHBondContact O-N 3.27Å; A179-A181 PolarHBondContact O-N 2.83Å
180I45.6Very low46.3Very low166 Ų166138.5 Ų138.585%0.85177%0.773SS**  trans-72.5109.6172.8-61.6173000107.5
181A49.5Very low45.8Very low81 Ų81132.6 Ų132.667%0.66977%0.774SS**PPolyproline II helixtrans-60.9137.7173.600000110.4A179A179-A181 PolarHBondContact O-N 2.83Å
182P53.3Low45.3Very low102 Ų102129.7 Ų129.766%0.66278%0.779SS**PPolyproline II helixtrans-63.1149.617427.7-33.9000110.5
183P52.7Low44.9Very low104 Ų104126.1 Ų126.168%0.67578%0.781SS**PPolyproline II helixtrans-60.6145.5-179.325.8-34.6000111.5S185P183-S185 PolarHBondContact O-N 2.87Å
184S54.8Low44.7Very low111 Ų111122.4 Ų122.478%0.77678%0.781SS**THydrogen-bonded Turntrans-72.136.9-172.8610000115
185S53.8Low43.8Very low110 Ų110127.9 Ų127.977%0.76979%0.788SS**THydrogen-bonded Turntrans-113.912.2175.1-48.60000112P183P183-S185 PolarHBondContact O-N 2.87Å
186L51Low42.8Very low150 Ų150123.5 Ų123.579%0.78578%0.78SS**SBendtrans-137.336.4-174.3-154.588000112.5
187V40.9Very low42.3Very low123 Ų123130 Ų13075%0.74579%0.787SS**  trans-136.256.2179.1-71.60000111.8R189V187-R189 PolarHBondContact O-N 3.49Å
188D39.3Very low41.7Very low168 Ų168132.6 Ų132.690%0.89878%0.776SS**  trans-84.1108.7165.8-90.4-51.7000111
189R38.4Very low41.4Very low238 Ų238134.7 Ų134.790%0.89877%0.773SS**  trans40.7122.3154.8-151.2102.988.7-166.67.5120.1V187V187-R189 PolarHBondContact O-N 3.49Å
190E35.8Very low40.6Very low196 Ų196138 Ų13892%0.91677%0.772SS**  trans-61.9154.5164.9-53.7173.6135.800113.8
191G33.7Very low40.1Very low72 Ų72133.6 Ų133.674%0.74277%0.769SS**  trans167.2117166.900000113.3
192P41.5Very low39.3Very low130 Ų130140.7 Ų140.784%0.84478%0.778SS**  trans-85.6160.8-170.933.9-36.1000114.9
193A37.7Very low39Very low94 Ų94141.7 Ų141.778%0.77779%0.785SS**  trans-65.7161.817400000112.5
194P45.4Very low38Very low104 Ų104139.8 Ų139.868%0.67578%0.784SS**  -148.8-167.280.932.6-9.6000115.6
195Y27.7Very low37.1Very low214 Ų214147.2 Ų147.284%0.83980%0.795SS**  trans87.4131.2154.672.3-108.3000123.4
196A27Very low35.9Very low87 Ų87145.6 Ų145.672%0.71980%0.796SS**  trans86.8104.8138.800000122.8
197Y30Very low35.4Very low197 Ų197143.3 Ų143.377%0.77380%0.798SS**  84.3120.6122.4-136-88.1000122.1
198E32.1Very low35.1Very low139 Ų139147.4 Ų147.465%0.6581%0.806SS**  trans-2.2149.7157.5-43.5-170.2146.600121.5
199D32.2Very low34.9Very low146 Ų146144 Ų14478%0.78180%0.801SS**  174.4159.488.2-166.127.4000113.6
200E31.1Very low34.8Very low165 Ų165137.5 Ų137.577%0.77180%0.799SS**  trans-40.1157.6179.4-78.4-76.415900120.3
201G34Very low34.9Very low75 Ų75135.9 Ų135.977%0.77379%0.794SS**  trans173.464.1175.300000119.8
202R32.6Very low35.3Very low229 Ų229137.6 Ų137.686%0.86479%0.793SS**  trans-57.9-179.9165.7-89.5179.4168-139.92114.7
203P46.7Very low35.3Very low124 Ų124137.4 Ų137.481%0.80579%0.792SS**  cis-127.2-162.4-23.833.8-12.5000111.4
204G33.1Very low35.5Very low64 Ų64138.4 Ų138.466%0.6679%0.79SS**  cis135.3136.3-12.300000115.4
205R34.4Very low34.7Very low266 Ų266140.6 Ų140.6100%1.00479%0.793SS**  trans82.4157.5-176.8-54.3-179.6-176.6-109.93.2115.5
206G29.4Very low35.2Very low77 Ų77141.5 Ų141.579%0.79480%0.797SS**  cis173.8156.8-2.700000111.8
207A40.5Very low35.4Very low101 Ų101144.9 Ų144.984%0.83580%0.797SS**  trans-81.8153.5-164.400000117.3
208K35.2Very low35.5Very low209 Ų209143 Ų14391%0.90980%0.801SS**  trans-159.4152.3150.9-65-164.8179.3-178.40107.8
209A34.6Very low35.9Very low96 Ų96141.5 Ų141.579%0.79381%0.806SS**  cis-160.5161.3-22.800000107.4
210A36.1Very low36.1Very low103 Ų103143.3 Ų143.385%0.85181%0.81SS**  trans-86144.8-17700000113.6
211I38.1Very low36.7Very low161 Ų161145.4 Ų145.483%0.82681%0.81SS**  trans-139.9134.5164.1-60.9-175.9000107.9
212P41.5Very low37.1Very low108 Ų108146.9 Ų146.970%0.70181%0.806SS**PPolyproline II helixtrans-82.7164.8-171.233.6-37.8000114.6
213P41.3Very low37.3Very low127 Ų127146.8 Ų146.883%0.82581%0.806SS**PPolyproline II helixtrans-87.6135-179.133.8-33.6000113.9
214P41.9Very low37.2Very low114 Ų114145.9 Ų145.974%0.7480%0.802SS**PPolyproline II helixtrans-99.1116.2156.633.3-25.1000110.1
215M30.3Very low38Very low151 Ų151148.5 Ų148.574%0.74481%0.808SS**  74.5111.198.7-68.4-145.771.300116.1
216Y36.9Very low38.5Very low233 Ų233141.8 Ų141.891%0.91480%0.799SS**  -140.3158.5129.4-147.2-100.4000109.9
217E31.1Very low39.4Very low157 Ų157140.9 Ų140.973%0.73479%0.789SS**  trans-119134.5-152.4-171.9167-173.500109.9
218D33.3Very low39.8Very low157 Ų157141.3 Ų141.384%0.8478%0.783SS**  trans-141.199.1-177.4-163.6-2.9000110.9
219S38.9Very low40.6Very low108 Ų108136.5 Ų136.576%0.75577%0.771SS**  trans-166.5112.9164-79.10000109.7
220E37.4Very low41.4Very low185 Ų185138 Ų13886%0.86478%0.777SS**  170129.5126-89.2-75.493.100110.2
221R42.7Very low42Very low209 Ų209136.6 Ų136.679%0.78976%0.76SS**  trans-90.1149.5173.8-148-170179.9-143-0.4107.7
222P43.4Very low42.5Very low105 Ų105136.6 Ų136.668%0.68276%0.755SS**  -157.2177.894.138-18.1000117
223R36.7Very low43Very low228 Ų228138 Ų13886%0.8676%0.755SS**  trans90.6133.3164.3-58.7-178.3176.6136.31.6118.2
224S44.3Very low43.6Very low104 Ų104136.4 Ų136.473%0.72775%0.753SS**PPolyproline II helixtrans-90.7145.1-174.6-38.10000111.6
225P49Very low44Very low120 Ų120137.8 Ų137.878%0.77975%0.754SS**PPolyproline II helixtrans-74.4149.5162.1-8.325.7000110.9
226P45.7Very low45.3Very low125 Ų125135.2 Ų135.281%0.81274%0.742SS**PPolyproline II helixtrans-72.4163.5178.330.7-34.6000112.6
227G49.5Very low46.2Very low57 Ų57126.7 Ų126.759%0.58873%0.725SS**PPolyproline II helixtrans-63.7158.8-177.200000114.2T229G227-T229 PolarHBondContact O-N 3.26Å; G227-T229 VanDerWaalsContact O-N 3.09Å
228P48.8Very low47.9Very low110 Ų110122.8 Ų122.871%0.71473%0.727SS**  trans-72.1105.3-173.429.9-34.8000111.5F232P228-F232 HydrophobicContact CB-CD2 3.81Å; P228-F232 HydrophobicContact CB-CE2 3.58Å
229T50.2Low50.2Low108 Ų108117.7 Ų117.766%0.66370%0.702SS**  trans-75.7172.816156.60000110.4G227 S231G227-T229 PolarHBondContact O-N 3.26Å; G227-T229 VanDerWaalsContact O-N 3.09Å; T229-S231 PolarHBondContact O-N 3.22Å
230S52.9Low52.1Low129 Ų129118 Ų11890%0.90270%0.698SS**THydrogen-bonded Turntrans-6954.5-17256.30000115.1
231S48.1Very low53.9Low73 Ų73111.5 Ų111.551%0.5168%0.676SS.*THydrogen-bonded Turntrans-128.5-7-175.8-51.30000113.8T229T229-S231 PolarHBondContact O-N 3.22Å
232F49.5Very low55.6Low160 Ų160102.7 Ų102.770%0.70264%0.644SS**THydrogen-bonded Turntrans-69.8-31.5-177.8-90.6-91.8000114.3P228P228-F232 HydrophobicContact CB-CD2 3.81Å; P228-F232 HydrophobicContact CB-CE2 3.58Å
233L50.7Low57.4Low137 Ų137104.9 Ų104.972%0.71764%0.643SS**THydrogen-bonded Turntrans-69.8-47.3178.4-74.7166.6000111.7N235 M236L233-N235 PolarHBondContact O-N 3.43Å; L233-N235 VanDerWaalsContact O-N 3.11Å; L233-M236 WeakPolarHBondContact O-CB 3.43Å; L233-M236 PolarHBondContact O-N 3.5Å
234A54.4Low59.5Low94 Ų9498.2 Ų98.278%0.77762%0.623SS**THydrogen-bonded Turntrans-59.1-26.6179.100000113.6
235N51.1Low61.1Low144 Ų14498.1 Ų98.177%0.7761%0.613SS**THydrogen-bonded Turntrans-92.8-0.6179.6-12832000113.8L233L233-N235 PolarHBondContact O-N 3.43Å; L233-N235 VanDerWaalsContact O-N 3.11Å
236M56.1Low62.6Low96 Ų9697.3 Ų97.347%0.47360%0.598SS.*G310 helixtrans-82.3-15.8-174.9-138.5-176.9-172.800114L233 G238 T239 H242L233-M236 WeakPolarHBondContact O-CB 3.43Å; L233-M236 PolarHBondContact O-N 3.5Å; M236-G238 PolarHBondContact O-N 3.45Å; M236-T239 HydrophobicContact CG-CG2 3.96Å; M236-T239 PolarHBondContact O-N 3.04Å; M236-T239 PolarHBondContact O-OG1 3.44Å; M236-H242 WeakPolarHBondContact O-CB 3.43Å
237G57.1Low64.3Low55 Ų5599.4 Ų99.457%0.56760%0.595SS**G310 helixtrans-60.8-8-17800000116.4
238G66.5Low65.5Low75 Ų75105.8 Ų105.877%0.77360%0.602SS**G310 helixtrans-102.8-6.9173.100000115.5M236M236-G238 PolarHBondContact O-N 3.45Å
239T81.6Confident66.6Low50 Ų50103 Ų10331%0.30759%0.594SS.*SBendtrans-76.9150.7-17064.70000113.2M236 A241 H242 K243M236-T239 HydrophobicContact CG-CG2 3.96Å; M236-T239 PolarHBondContact O-N 3.04Å; M236-T239 PolarHBondContact O-OG1 3.44Å; T239-A241 PolarHBondContact O-N 3.43Å; T239-H242 PolarHBondContact O-N 3.43Å; T239-H242 VanDerWaalsContact O-N 3.15Å; T239-H242 VanDerWaalsContact OG1-CB 3.3Å; T239-H242 WeakPolarHBondContact OG1-CB 3.39Å; T239-H242 PolarHBondContact OG1-N 3.02Å; T239-K243 PolarHBondContact O-N 3.26Å
240V78.2Confident67.9Low114 Ų114100.3 Ų100.369%0.69157%0.573SS**Hα-helixtrans-57.9-38.5175.6179.30000111.2K243 I244V240-K243 PolarHBondContact O-N 3.49Å; V240-I244 HydrophobicContact CG1-CD1 3.86Å; V240-I244 HydrophobicContact CG1-CG1 4.43Å; V240-I244 WeakPolarHBondContact O-CB 3.31Å; V240-I244 VanDerWaalsContact O-CG1 3.3Å; V240-I244 WeakPolarHBondContact O-CG1 3.29Å; V240-I244 PolarHBondContact O-N 3.36Å
241A75.1Confident69.1Low48 Ų48100.8 Ų100.840%0.39756%0.559SS.*Hα-helixtrans-60.5-48.617500000111.9T239 K243 I244 M245T239-A241 PolarHBondContact O-N 3.43Å; A241-K243 PolarHBondContact O-N 2.98Å; A241-I244 PolarHBondContact O-N 3Å; A241-M245 WeakPolarHBondContact O-CB 3.47Å; A241-M245 VanDerWaalsContact O-CG 3.28Å; A241-M245 WeakPolarHBondContact O-CG 3.23Å; A241-M245 PolarHBondContact O-N 3.19Å
242H78.9Confident70.2Confident24 Ų24104.2 Ų104.211%0.11157%0.567CS.*Hα-helixtrans-60.9-42.7177.9-168.893.1000111.9M236 T239 I244 M245 Q246M236-H242 WeakPolarHBondContact O-CB 3.43Å; T239-H242 PolarHBondContact O-N 3.43Å; T239-H242 VanDerWaalsContact O-N 3.15Å; T239-H242 VanDerWaalsContact OG1-CB 3.3Å; T239-H242 WeakPolarHBondContact OG1-CB 3.39Å; T239-H242 PolarHBondContact OG1-N 3.02Å; H242-I244 PolarHBondContact O-N 3.36Å; H242-M245 PolarHBondContact O-N 3.39Å; H242-Q246 PolarHBondContact CD2-NE2 3.25Å; H242-Q246 VanDerWaalsContact CD2-NE2 3.34Å; H242-Q246 PolarHBondContact NE2-NE2 3.38Å; H242-Q246 WeakPolarHBondContact O-CG 3.4Å; H242-Q246 PolarHBondContact O-N 3.1Å
243K81.3Confident71.4Confident151 Ų15199.8 Ų99.866%0.65757%0.566SS**Hα-helixtrans-66.8-34176.3-173.2168.6-71.6-175.10113.2T239 V240 A241 K247T239-K243 PolarHBondContact O-N 3.26Å; V240-K243 PolarHBondContact O-N 3.49Å; A241-K243 PolarHBondContact O-N 2.98Å; K243-K247 WeakPolarHBondContact O-CB 3.41Å; K243-K247 PolarHBondContact O-N 3.29Å; K243-K247 VanDerWaalsContact O-N 3.15Å
244I80.4Confident72.6Confident89 Ų8995.6 Ų95.646%0.45654%0.543SS..Hα-helixtrans-68.2-47.3171.9-72.1170.2000110.3V240 A241 H242 Q246 K247 Y248V240-I244 HydrophobicContact CG1-CD1 3.86Å; V240-I244 HydrophobicContact CG1-CG1 4.43Å; V240-I244 WeakPolarHBondContact O-CB 3.31Å; V240-I244 VanDerWaalsContact O-CG1 3.3Å; V240-I244 WeakPolarHBondContact O-CG1 3.29Å; V240-I244 PolarHBondContact O-N 3.36Å; A241-I244 PolarHBondContact O-N 3Å; H242-I244 PolarHBondContact O-N 3.36Å; I244-Q246 PolarHBondContact O-N 3.16Å; I244-K247 WeakPolarHBondContact O-CB 3.39Å; I244-K247 PolarHBondContact O-N 3.05Å; I244-K247 VanDerWaalsContact O-N 3.14Å; I244-Y248 HydrophobicContact CG2-CD2 3.87Å; I244-Y248 HydrophobicContact CG2-CE2 3.99Å; I244-Y248 VanDerWaalsContact O-CD2 3.27Å; I244-Y248 WeakPolarHBondContact O-CD2 3.42Å; I244-Y248 PolarHBondContact O-N 3.24Å; I244-Y248 VanDerWaalsContact O-N 3.09Å
245M79.3Confident73.7Confident102 Ų10291.7 Ų91.750%0.50251%0.512SS..Hα-helixtrans-58.1-48.7178.8-72.5168.3170.900111.3A241 H242 K247 Y248 G249 F250A241-M245 WeakPolarHBondContact O-CB 3.47Å; A241-M245 VanDerWaalsContact O-CG 3.28Å; A241-M245 WeakPolarHBondContact O-CG 3.23Å; A241-M245 PolarHBondContact O-N 3.19Å; H242-M245 PolarHBondContact O-N 3.39Å; M245-K247 VanDerWaalsContact C-N 3.33Å; M245-K247 PolarHBondContact O-N 3.3Å; M245-Y248 CarbonylContact O-C 3.55Å; M245-Y248 PolarHBondContact O-N 3.19Å; M245-G249 PolarHBondContact O-N 3.21Å; M245-F250 HydrophobicContact CB-CB 3.85Å; M245-F250 HydrophobicContact CB-CD1 4.02Å; M245-F250 HydrophobicContact CB-CG 4.11Å; M245-F250 VanDerWaalsContact O-CB 3.31Å; M245-F250 WeakPolarHBondContact O-CB 3.21Å; M245-F250 PolarHBondContact O-N 3.06Å
246Q80.3Confident74.8Confident102 Ų10290.7 Ų90.748%0.47751%0.506SS..Hα-helixtrans-56.5-43.5173.9-74.7178.9-17.700112.5H242 I244 Y248 G249H242-Q246 PolarHBondContact CD2-NE2 3.25Å; H242-Q246 VanDerWaalsContact CD2-NE2 3.34Å; H242-Q246 PolarHBondContact NE2-NE2 3.38Å; H242-Q246 WeakPolarHBondContact O-CG 3.4Å; H242-Q246 PolarHBondContact O-N 3.1Å; I244-Q246 PolarHBondContact O-N 3.16Å; Q246-Y248 PolarHBondContact O-N 3.29Å; Q246-G249 PolarHBondContact O-N 3.13Å
247K81Confident75.5Confident170 Ų17088.3 Ų88.374%0.73951%0.506SS*.Hα-helixtrans-60.8-30.4176.7179.6178.6177.9-176.90112.8K243 I244 M245 G249K243-K247 WeakPolarHBondContact O-CB 3.41Å; K243-K247 PolarHBondContact O-N 3.29Å; K243-K247 VanDerWaalsContact O-N 3.15Å; I244-K247 WeakPolarHBondContact O-CB 3.39Å; I244-K247 PolarHBondContact O-N 3.05Å; I244-K247 VanDerWaalsContact O-N 3.14Å; M245-K247 VanDerWaalsContact C-N 3.33Å; M245-K247 PolarHBondContact O-N 3.3Å; K247-G249 VanDerWaalsContact C-N 3.35Å
248Y75.4Confident76.3Confident190 Ų19094.6 Ų94.675%0.74552%0.518SS*.THydrogen-bonded Turntrans-93.714.9175.5-72.6-74.2000113.6I244 M245 Q246I244-Y248 HydrophobicContact CG2-CD2 3.87Å; I244-Y248 HydrophobicContact CG2-CE2 3.99Å; I244-Y248 VanDerWaalsContact O-CD2 3.27Å; I244-Y248 WeakPolarHBondContact O-CD2 3.42Å; I244-Y248 PolarHBondContact O-N 3.24Å; I244-Y248 VanDerWaalsContact O-N 3.09Å; M245-Y248 CarbonylContact O-C 3.55Å; M245-Y248 PolarHBondContact O-N 3.19Å; Q246-Y248 PolarHBondContact O-N 3.29Å
249G71.1Confident76.9Confident52 Ų5297.3 Ų97.354%0.53651%0.51SS..THydrogen-bonded Turntrans94.24.5169.500000116M245 Q246 K247 K251M245-G249 PolarHBondContact O-N 3.21Å; Q246-G249 PolarHBondContact O-N 3.13Å; K247-G249 VanDerWaalsContact C-N 3.35Å; G249-K251 PolarHBondContact O-N 2.92Å
250F77.1Confident76.7Confident51 Ų51100 Ų10022%0.22452%0.519CS..  trans-67.5130.2172.8175.9-98.4000111M245M245-F250 HydrophobicContact CB-CB 3.85Å; M245-F250 HydrophobicContact CB-CD1 4.02Å; M245-F250 HydrophobicContact CB-CG 4.11Å; M245-F250 VanDerWaalsContact O-CB 3.31Å; M245-F250 WeakPolarHBondContact O-CB 3.21Å; M245-F250 PolarHBondContact O-N 3.06Å
251K78.4Confident76.7Confident139 Ų139101.1 Ų101.160%0.60452%0.517SS*.  trans-117.4144.8165.2-55.6-176.4-162.1163.30109.1G249 G253 Q254G249-K251 PolarHBondContact O-N 2.92Å; K251-G253 PolarHBondContact O-N 3.02Å; K251-Q254 HydrophobicContact CB-CB 4.01Å; K251-Q254 VanDerWaalsContact CG-OE1 3.24Å; K251-Q254 WeakPolarHBondContact O-CB 3.3Å; K251-Q254 PolarHBondContact O-N 3.2Å
252E71.3Confident76.8Confident146 Ų146100.2 Ų100.268%0.68251%0.513SS*.THydrogen-bonded Turntrans-61.5125.6177.7-169.7164.5-167.300110.4
253G73.7Confident76.6Confident67 Ų67103.9 Ų103.969%0.69153%0.532SS*.THydrogen-bonded Turntrans87.3-13.8-174.300000115.9K251K251-G253 PolarHBondContact O-N 3.02Å
254Q76.8Confident76.3Confident48 Ų4899.6 Ų99.622%0.22452%0.522CS..SBendtrans-88133177.4-159.9-178.6-200109.9K251 E260K251-Q254 HydrophobicContact CB-CB 4.01Å; K251-Q254 VanDerWaalsContact CG-OE1 3.24Å; K251-Q254 WeakPolarHBondContact O-CB 3.3Å; K251-Q254 PolarHBondContact O-N 3.2Å; Q254-E260 HydrophobicContact CG-CB 4.31Å; Q254-E260 VanDerWaalsContact CG-CD 3.41Å; Q254-E260 HydrophobicContact CG-CG 3.74Å; Q254-E260 WeakPolarHBondContact CG-OE2 3.32Å; Q254-E260 PolarHBondContact NE2-OE1 2.87Å
255G76.8Confident76.1Confident13 Ų1399.4 Ų99.413%0.13453%0.525CS..  trans-68.9153.2-179.400000113.3G257 E260 G262G255-G257 PolarHBondContact O-N 3.32Å; G255-E260 VanDerWaalsContact CA-O 3.27Å; G255-E260 WeakPolarHBondContact CA-O 3.48Å; G255-E260 WeakPolarHBondContact O-CA 3.34Å; G255-G262 CarbonylContact C-O 3.58Å; G255-G262 WeakPolarHBondContact CA-O 3.44Å
256L73.9Confident75.8Confident122 Ų12299 Ų9964%0.63954%0.538SS*.SBendtrans-77.3105.5-175.3-112.3143.5000112G262L256-G262 PolarHBondContact N-O 2.84Å; L256-G262 WeakPolarHBondContact O-CA 3.33Å; L256-G262 PolarHBondContact O-N 3.09Å; L256-G262 VanDerWaalsContact O-N 3.17Å
257G70.7Confident75.9Confident46 Ų4698.4 Ų98.447%0.47454%0.537SS..SBendtrans156.5172.5174.100000113.8G255 H259 E260G255-G257 PolarHBondContact O-N 3.32Å; G257-H259 PolarHBondContact O-N 2.97Å; G257-E260 PolarHBondContact O-N 2.72Å
258K75.8Confident75.8Confident187 Ų18793.1 Ų93.181%0.81352%0.522SS*.THydrogen-bonded Turntrans-62.2-30179.2-175.4-174.5172.9-164.90112.9
259H77.9Confident76Confident133 Ų13388.8 Ų88.862%0.61651%0.514SS*.THydrogen-bonded Turntrans-12027.3178.1-53.5-81000110.8G257 Q261G257-H259 PolarHBondContact O-N 2.97Å; H259-Q261 VanDerWaalsContact C-OE1 3.23Å; H259-Q261 VanDerWaalsContact CA-OE1 3.32Å; H259-Q261 PolarHBondContact O-N 3.03Å
260E78.4Confident76.7Confident106 Ų10691.2 Ų91.250%0.49551%0.512SS..SBendtrans61.813.4175.9-44.6-178.5-17200114.8Q254 G255 G257 G262Q254-E260 HydrophobicContact CG-CB 4.31Å; Q254-E260 VanDerWaalsContact CG-CD 3.41Å; Q254-E260 HydrophobicContact CG-CG 3.74Å; Q254-E260 WeakPolarHBondContact CG-OE2 3.32Å; Q254-E260 PolarHBondContact NE2-OE1 2.87Å; G255-E260 VanDerWaalsContact CA-O 3.27Å; G255-E260 WeakPolarHBondContact CA-O 3.48Å; G255-E260 WeakPolarHBondContact O-CA 3.34Å; G257-E260 PolarHBondContact O-N 2.72Å; E260-G262 VanDerWaalsContact C-N 3.29Å; E260-G262 PolarHBondContact O-N 2.85Å
261Q78.1Confident77.1Confident138 Ų13896.9 Ų96.965%0.64554%0.536SS*.  trans-78.4-3.6-167.772.6-93.642.700115.6H259H259-Q261 VanDerWaalsContact C-OE1 3.23Å; H259-Q261 VanDerWaalsContact CA-OE1 3.32Å; H259-Q261 PolarHBondContact O-N 3.03Å
262G76.6Confident77Confident29 Ų2994.4 Ų94.430%0.29953%0.533SS..SBendtrans-98173.2-179.100000113.6G255 L256 E260 S264G255-G262 CarbonylContact C-O 3.58Å; G255-G262 WeakPolarHBondContact CA-O 3.44Å; L256-G262 PolarHBondContact N-O 2.84Å; L256-G262 WeakPolarHBondContact O-CA 3.33Å; L256-G262 PolarHBondContact O-N 3.09Å; L256-G262 VanDerWaalsContact O-N 3.17Å; E260-G262 VanDerWaalsContact C-N 3.29Å; E260-G262 PolarHBondContact O-N 2.85Å; G262-S264 PolarHBondContact O-N 2.86Å
263L74.6Confident77.3Confident100 Ų10091 Ų9152%0.52453%0.526SS..  trans-51.5124.8-178-62.8171000112.2L267L263-L267 HydrophobicContact CD1-CD2 4.03Å; L263-L267 HydrophobicContact CD1-CG 4.23Å
264S75.1Confident77.4Confident62 Ų6297.9 Ų97.943%0.43454%0.536SS..SBendtrans-83.2-24.817554.10000112.8G262G262-S264 PolarHBondContact O-N 2.86Å
265T76.3Confident77.7Confident85 Ų85107.6 Ų107.652%0.52157%0.571SS.*SBendtrans-113.6145.517957.50000111.6
266A73.6Confident77.8Confident94 Ų94108.5 Ų108.578%0.77758%0.581SS**PPolyproline II helixtrans-71.8141.6178.500000111.7S268A266-S268 PolarHBondContact O-N 3.44Å
267L80.9Confident78.4Confident89 Ų89104.8 Ų104.847%0.46657%0.572SS.*PPolyproline II helixtrans-64.6129.5172.6-62.3179.5000110.4L263 I279 I281L263-L267 HydrophobicContact CD1-CD2 4.03Å; L263-L267 HydrophobicContact CD1-CG 4.23Å; L267-I279 HydrophobicContact CB-CG2 4.06Å; L267-I279 HydrophobicContact CD1-CG2 4.27Å; L267-I281 HydrophobicContact CD2-CB 4.36Å; L267-I281 HydrophobicContact CD2-CG1 3.81Å; L267-I281 HydrophobicContact CD2-CG2 4.42Å
268S78.7Confident79Confident59 Ų59108.4 Ų108.441%0.41357%0.574SS.*EExtended strand (participates in β ladder)trans-94.4155.2175.6700000110.7A266 I279 I280A266-S268 PolarHBondContact O-N 3.44Å; S268-I279 CarbonylContact O-C 3.52Å; S268-I279 WeakPolarHBondContact O-CA 3.39Å; S268-I280 PolarHBondContact N-O 3.03Å; S268-I280 VanDerWaalsContact N-O 3.1Å; S268-I280 PolarHBondContact O-N 3.32Å; S268-I280 WeakPolarHBondContact OG-CB 3.29Å; S268-I280 PolarHBondContact OG-O 2.82Å
269V81.1Confident79.4Confident98 Ų98104.8 Ų104.859%0.59456%0.563SS**EExtended strand (participates in β ladder)trans-129.6112.9178-173.30000109.7K278 I279V269-K278 CarbonylContact C-O 3.57Å; V269-K278 WeakPolarHBondContact CA-O 3.41Å; V269-I279 HydrophobicContact CG2-CG1 4.25Å
270E84.8Confident79.5Confident103 Ų103100.5 Ų100.548%0.48154%0.544SS..EExtended strand (participates in β ladder)trans-79.5128.9171-178.9-180-150.700109.6T272 G277 K278 I280E270-T272 PolarHBondContact O-N 3.37Å; E270-T272 VanDerWaalsContact O-N 3.14Å; E270-G277 CarbonylContact O-C 3.43Å; E270-G277 WeakPolarHBondContact O-CA 3.49Å; E270-K278 PolarHBondContact N-O 2.93Å; E270-K278 PolarHBondContact O-N 2.96Å; E270-I280 HydrophobicContact CB-CD1 3.69Å; E270-I280 HydrophobicContact CB-CG1 4.31Å
271K86.1Confident79.1Confident170 Ų170101 Ų10174%0.73955%0.549SS*.EExtended strand (participates in β ladder)trans-85.192.1-175.7-167.8176.2-175.9176.90111.2
272T76.4Confident78.4Confident88 Ų8896.3 Ų96.354%0.5454%0.538SS..EExtended strand (participates in β ladder)trans-79.9-17.7-176.953.60000114.6E270 G276 K278E270-T272 PolarHBondContact O-N 3.37Å; E270-T272 VanDerWaalsContact O-N 3.14Å; T272-G276 PolarHBondContact N-O 3.49Å; T272-K278 HydrophobicContact CG2-CB 3.65Å
273S77.5Confident77.3Confident75 Ų75102.7 Ų102.752%0.52457%0.565SS.*EExtended strand (participates in β ladder)trans-157.3172.9177.6-173.40000113.5R275 G276S273-R275 PolarHBondContact O-N 3.37Å; S273-G276 PolarHBondContact N-O 3.35Å; S273-G276 PolarHBondContact O-N 2.94Å; S273-G276 VanDerWaalsContact O-O 3.05Å
274K75.6Confident75.9Confident210 Ų210102 Ų10291%0.91357%0.573SS**THydrogen-bonded Turntrans-57.9-27.8176.4-69-177.5-179.8176.60113.3
275R81.8Confident74.4Confident252 Ų252103.3 Ų103.395%0.95159%0.588SS**THydrogen-bonded Turntrans-131.722.7178.7-155-175.6-79.2-162.2-2.6112.8S273S273-R275 PolarHBondContact O-N 3.37Å
276G79.2Confident72.6Confident33 Ų33108 Ų10834%0.3460%0.604SS.*EExtended strand (participates in β ladder)trans-148151.3-176.600000113T272 S273T272-G276 PolarHBondContact N-O 3.49Å; S273-G276 PolarHBondContact N-O 3.35Å; S273-G276 PolarHBondContact O-N 2.94Å; S273-G276 VanDerWaalsContact O-O 3.05Å
277G88Confident70.8Confident43 Ų43112.9 Ų112.944%0.44361%0.608SS.*EExtended strand (participates in β ladder)trans-147.9149174.800000110.9E270E270-G277 CarbonylContact O-C 3.43Å; E270-G277 WeakPolarHBondContact O-CA 3.49Å
278K82.8Confident68.8Low123 Ų123115 Ų11554%0.53563%0.627SS.*EExtended strand (participates in β ladder)trans-99.6123.8176.2178.6-173.8176.3-166.70108.1V269 E270 T272V269-K278 CarbonylContact C-O 3.57Å; V269-K278 WeakPolarHBondContact CA-O 3.41Å; E270-K278 PolarHBondContact N-O 2.93Å; E270-K278 PolarHBondContact O-N 2.96Å; T272-K278 HydrophobicContact CG2-CB 3.65Å
279I84.2Confident66.6Low110 Ų110115.4 Ų115.456%0.56464%0.64SS**EExtended strand (participates in β ladder)trans-76.2126.4175.3-52.5179.2000107.9L267 S268 V269L267-I279 HydrophobicContact CB-CG2 4.06Å; L267-I279 HydrophobicContact CD1-CG2 4.27Å; S268-I279 CarbonylContact O-C 3.52Å; S268-I279 WeakPolarHBondContact O-CA 3.39Å; V269-I279 HydrophobicContact CG2-CG1 4.25Å
280I79.4Confident64.3Low44 Ų44117.1 Ų117.123%0.22666%0.657CS.*EExtended strand (participates in β ladder)trans-111.6117175.1-58.6177.3000107.7S268 E270S268-I280 PolarHBondContact N-O 3.03Å; S268-I280 VanDerWaalsContact N-O 3.1Å; S268-I280 PolarHBondContact O-N 3.32Å; S268-I280 WeakPolarHBondContact OG-CB 3.29Å; S268-I280 PolarHBondContact OG-O 2.82Å; E270-I280 HydrophobicContact CB-CD1 3.69Å; E270-I280 HydrophobicContact CB-CG1 4.31Å
281I70.5Confident62Low116 Ų116117.4 Ų117.460%0.59567%0.67SS**  trans-76.4132170.5-57.9164.5000107L267 D283L267-I281 HydrophobicContact CD2-CB 4.36Å; L267-I281 HydrophobicContact CD2-CG1 3.81Å; L267-I281 HydrophobicContact CD2-CG2 4.42Å; I281-D283 PolarHBondContact O-N 3.16Å
282G63.7Low59.9Low40 Ų40118 Ų11841%0.41268%0.675SS.*THydrogen-bonded Turntrans-71.585-171.900000113.3
283D52.8Low58Low163 Ų163119.4 Ų119.487%0.87269%0.689SS**THydrogen-bonded Turntrans-167-19.7155.3-102.3-20000111.5I281 A285I281-D283 PolarHBondContact O-N 3.16Å; D283-A285 PolarHBondContact O-N 2.83Å; D283-A285 VanDerWaalsContact O-N 3.09Å
284A46Very low55.8Low85 Ų85119.9 Ų119.970%0.70271%0.705SS**  trans-83.736.3177.900000114.4
285A42.2Very low53.9Low90 Ų90115 Ų11574%0.74470%0.704SS**  trans-101.147.2-178.200000112.9D283D283-A285 PolarHBondContact O-N 2.83Å; D283-A285 VanDerWaalsContact O-N 3.09Å
286E39.2Very low51.5Low184 Ų184107.6 Ų107.686%0.8670%0.697SS**PPolyproline II helixtrans-67.1143169.8-77.4-87.1119.100110.7
287K36.8Very low49.4Very low196 Ų196113.4 Ų113.485%0.85272%0.72SS**PPolyproline II helixtrans-68150.2-173.6-76.6173.6175.9170.60112.9
288P38.2Very low48Very low134 Ų134115.8 Ų115.887%0.8773%0.728SS**PPolyproline II helixtrans-75.9131172.631.9-33.6000111.2
289G32.8Very low45.6Very low66 Ų66114.9 Ų114.968%0.6874%0.737SS**  trans-170.6124.1175.600000114.2
290S32.6Very low43.2Very low135 Ų135117.9 Ų117.994%0.94475%0.752SS**  trans71.3124.3173.471.10000118.6
291S36.9Very low40.9Very low108 Ų108119.4 Ų119.476%0.75578%0.779SS**  trans-103.1146.6176.851.30000111.7
292Q41.2Very low39.1Very low184 Ų184117.4 Ų117.486%0.8679%0.787SS**  trans178.1115.6142.9-97.416213.200106.3
293S36.6Very low37.6Very low117 Ų117121.1 Ų121.182%0.81881%0.807SS**  60.2108.370.478.10000114.3
294G32.1Very low36.8Very low85 Ų85118 Ų11888%0.87680%0.803SS**  trans163.3136.7171.700000111.4
295A34.4Very low36.3Very low106 Ų106118.7 Ų118.788%0.87681%0.809SS**  trans-120.8174.7179.600000111.1
296A32.5Very low35.8Very low97 Ų97120.8 Ų120.880%0.80281%0.808SS**  trans93.698.8168.200000118.8
297D34.4Very low36.2Very low155 Ų155117.8 Ų117.883%0.82981%0.805SS**  62.9175.6120.1-129.922.2000119.5
298P58.1Low36.6Very low94 Ų94112.6 Ų112.661%0.6179%0.793SS**  -127-177.1-108.440.7-23000115.1
299S32.7Very low36.8Very low104 Ų104115.9 Ų115.973%0.72779%0.793SS**  trans92.1149.5153.281.90000120.8
300I33.5Very low37.3Very low172 Ų172122.1 Ų122.188%0.88280%0.802SS**  trans81.5127.2164-53.4175.3000118.5
301G31Very low37.9Very low76 Ų76120.5 Ų120.578%0.78479%0.791SS**  trans110.997.9144.700000115.9
302G33.4Very low38.5Very low75 Ų75124.4 Ų124.477%0.77380%0.797SS**  trans-92.8151.9174.300000114.1
303S32.4Very low39.2Very low118 Ų118117.7 Ų117.783%0.82577%0.773SS**  trans-170.4114.1152.8-80.50000106.8
304A35.8Very low40.2Very low96 Ų96117.5 Ų117.579%0.79376%0.762SS**  82.7106.887.500000113.5
305A35.9Very low41.9Very low101 Ų101118.2 Ų118.284%0.83575%0.752SS**  trans53.5106.315500000121
306D31.7Very low43.3Very low134 Ų134116.6 Ų116.672%0.71773%0.728SS**  trans-138.1106.3136.3-177.55.9000109.6S308D306-S308 VanDerWaalsContact C-N 3.33Å; D306-S308 PolarHBondContact O-N 2.95Å; D306-S308 WeakPolarHBondContact OD1-CB 3.27Å; D306-S308 PolarHBondContact OD1-N 2.84Å; D306-S308 PolarHBondContact OD1-OG 2.96Å
307P46.9Very low44.9Very low121 Ų121115.3 Ų115.379%0.78671%0.71SS**  trans-9435.2-178.238.1-34.5000113.2
308S45.1Very low46.6Very low86 Ų86112.9 Ų112.960%0.60169%0.694SS**  trans-111.530.5-164.9-45.10000115.8D306D306-S308 VanDerWaalsContact C-N 3.33Å; D306-S308 PolarHBondContact O-N 2.95Å; D306-S308 WeakPolarHBondContact OD1-CB 3.27Å; D306-S308 PolarHBondContact OD1-N 2.84Å; D306-S308 PolarHBondContact OD1-OG 2.96Å
309K43.9Very low47.4Very low204 Ų204110.3 Ų110.389%0.88768%0.675SS**  trans-160.667.6170.7-107.9152.7-167.9176.70112.4S311K309-S311 VanDerWaalsContact C-N 3.28Å; K309-S311 PolarHBondContact O-N 2.91Å
310K43.3Very low49.5Very low196 Ų196108.5 Ų108.585%0.85266%0.656SS**  trans-70.292.1158.2-72.5-169.9178.5-171.90108.2E312K310-E312 PolarHBondContact O-N 2.95Å
311S44.1Very low51.4Low102 Ų102106.2 Ų106.271%0.71364%0.64SS**  trans-51.9127.9149.852.90000106.9K309 A313K309-S311 VanDerWaalsContact C-N 3.28Å; K309-S311 PolarHBondContact O-N 2.91Å; S311-A313 PolarHBondContact O-N 3.33Å
312E50.3Low53.9Low189 Ų189108.8 Ų108.888%0.88364%0.636SS**  trans-68.384.3173.4-64.1-157.9159.600109.1K310 N314K310-E312 PolarHBondContact O-N 2.95Å; E312-N314 PolarHBondContact O-N 3.02Å
313A54.3Low56.7Low43 Ų43108 Ų10836%0.35562%0.617SS.*  trans-54.6122.515700000105.8S311 P315S311-A313 PolarHBondContact O-N 3.33Å; A313-P315 VanDerWaalsContact O-N 3.16Å
314N59Low59.6Low113 Ų113103.8 Ų103.860%0.60459%0.587SS**  trans-45.5128.6179.2-62.9-76.7000108.1E312 L316 T317 E318E312-N314 PolarHBondContact O-N 3.02Å; N314-L316 PolarHBondContact O-N 3.47Å; N314-T317 HydrophobicContact CB-CG2 4.11Å; N314-T317 PolarHBondContact N-OG1 3.06Å; N314-T317 WeakPolarHBondContact O-CA 3.35Å; N314-T317 WeakPolarHBondContact O-CB 3.24Å; N314-T317 PolarHBondContact O-N 3.3Å; N314-T317 PolarHBondContact O-OG1 3.13Å; N314-E318 PolarHBondContact O-N 3.41Å
315P66.8Low62.5Low101 Ų101103.1 Ų103.166%0.65657%0.566SS**Hα-helixtrans-55.5-32.6-169.717.1-30.7000112.4A313 T317 E318 I319A313-P315 VanDerWaalsContact O-N 3.16Å; P315-T317 PolarHBondContact O-N 3.38Å; P315-E318 PolarHBondContact O-N 2.86Å; P315-I319 WeakPolarHBondContact O-CD1 3.32Å; P315-I319 WeakPolarHBondContact O-CG1 3.48Å; P315-I319 PolarHBondContact O-N 3Å; P315-I319 VanDerWaalsContact O-N 3.14Å
316L65.1Low65.3Low72 Ų7298.3 Ų98.338%0.37753%0.526SS..Hα-helixtrans-59.1-39.7171.5-162.173.1000113.8N314 I319 L320N314-L316 PolarHBondContact O-N 3.47Å; L316-I319 PolarHBondContact O-N 2.83Å; L316-L320 HydrophobicContact CD2-CD1 4.46Å; L316-L320 HydrophobicContact CG-CD1 4.01Å; L316-L320 WeakPolarHBondContact O-CB 3.27Å; L316-L320 WeakPolarHBondContact O-CD1 3.43Å; L316-L320 VanDerWaalsContact O-CG 3.27Å; L316-L320 WeakPolarHBondContact O-CG 3.47Å; L316-L320 PolarHBondContact O-N 3.18Å
317T65.8Low68.4Low69 Ų6991.9 Ų91.942%0.42349%0.492SS..Hα-helixtrans-72.9-24.317859.30000113.7N314 P315N314-T317 HydrophobicContact CB-CG2 4.11Å; N314-T317 PolarHBondContact N-OG1 3.06Å; N314-T317 WeakPolarHBondContact O-CA 3.35Å; N314-T317 WeakPolarHBondContact O-CB 3.24Å; N314-T317 PolarHBondContact O-N 3.3Å; N314-T317 PolarHBondContact O-OG1 3.13Å; P315-T317 PolarHBondContact O-N 3.38Å
318E70.4Confident70.7Confident104 Ų10486.1 Ų86.149%0.48645%0.454SS..Hα-helixtrans-74.2-44.1170.9-178.4134.5-11100111.1N314 P315 L320 K321N314-E318 PolarHBondContact O-N 3.41Å; P315-E318 PolarHBondContact O-N 2.86Å; E318-L320 VanDerWaalsContact C-N 3.3Å; E318-L320 PolarHBondContact O-N 3.26Å; E318-K321 HydrophobicContact CG-CD 4.35Å; E318-K321 WeakPolarHBondContact O-CB 3.25Å; E318-K321 WeakPolarHBondContact O-CD 3.4Å; E318-K321 VanDerWaalsContact O-CG 3.26Å; E318-K321 WeakPolarHBondContact O-CG 3.46Å; E318-K321 PolarHBondContact O-N 3.5Å; E318-K321 IonicContact OE1-NZ 3.95Å; E318-K321 PolarHBondContact OE1-NZ 3.36Å
319I73.3Confident73.1Confident40 Ų4082.1 Ų82.121%0.20543%0.426CS..Hα-helixtrans-61.6-37.8175.4-64.4163.3000111.2P315 L316 K321 V389 N393 F406P315-I319 WeakPolarHBondContact O-CD1 3.32Å; P315-I319 WeakPolarHBondContact O-CG1 3.48Å; P315-I319 PolarHBondContact O-N 3Å; P315-I319 VanDerWaalsContact O-N 3.14Å; L316-I319 PolarHBondContact O-N 2.83Å; I319-K321 PolarHBondContact O-N 3.45Å; I319-V389 HydrophobicContact CG2-CG1 3.5Å; I319-V389 VanDerWaalsContact CG2-CG1 3.5Å; I319-N393 VanDerWaalsContact CD1-ND2 3.32Å; I319-N393 WeakPolarHBondContact CD1-ND2 3.46Å; I319-F406 HydrophobicContact CG2-CD2 4.35Å; I319-F406 HydrophobicContact CG2-CE2 4.3Å; I319-F406 WeakPolarHBondContact O-CD2 3.43Å; I319-F406 WeakPolarHBondContact O-CE2 3.49Å
320L78.1Confident75.5Confident66 Ų6673.2 Ų73.235%0.34639%0.387SS..THydrogen-bonded Turntrans-75.23.1179.6-74.8163.6000115.4L316 E318 N322 I386 F406L316-L320 HydrophobicContact CD2-CD1 4.46Å; L316-L320 HydrophobicContact CG-CD1 4.01Å; L316-L320 WeakPolarHBondContact O-CB 3.27Å; L316-L320 WeakPolarHBondContact O-CD1 3.43Å; L316-L320 VanDerWaalsContact O-CG 3.27Å; L316-L320 WeakPolarHBondContact O-CG 3.47Å; L316-L320 PolarHBondContact O-N 3.18Å; E318-L320 VanDerWaalsContact C-N 3.3Å; E318-L320 PolarHBondContact O-N 3.26Å; L320-N322 PolarHBondContact O-N 2.78Å; L320-I386 HydrophobicContact CD2-CG2 4.08Å; L320-F406 HydrophobicContact CD2-CE2 4.29Å; L320-F406 HydrophobicContact CD2-CZ 4.45Å
321K73.1Confident77.9Confident124 Ų12464.9 Ų64.954%0.53935%0.352SS..THydrogen-bonded Turntrans-62.7-37.9-176.3-76.8172.6177.6175.30114.1E318 I319E318-K321 HydrophobicContact CG-CD 4.35Å; E318-K321 WeakPolarHBondContact O-CB 3.25Å; E318-K321 WeakPolarHBondContact O-CD 3.4Å; E318-K321 VanDerWaalsContact O-CG 3.26Å; E318-K321 WeakPolarHBondContact O-CG 3.46Å; E318-K321 PolarHBondContact O-N 3.5Å; E318-K321 IonicContact OE1-NZ 3.95Å; E318-K321 PolarHBondContact OE1-NZ 3.36Å; I319-K321 PolarHBondContact O-N 3.45Å
322N83.2Confident80.2Confident131 Ų13160.7 Ų60.770%0.70132%0.321SS*.SBendtrans-138.279.4-176.9-71.8-48000110.7L320 T324L320-N322 PolarHBondContact O-N 2.78Å; N322-T324 PolarHBondContact O-N 3.46Å
323P91.5Very high82.3Confident58 Ų5852.4 Ų52.438%0.37728%0.283SS..  trans-70.7120.1-179.529.2-34.1000111V382 I386 F406P323-V382 HydrophobicContact CB-CG1 3.93Å; P323-I386 HydrophobicContact CB-CD1 3.81Å; P323-I386 HydrophobicContact CB-CG1 3.74Å; P323-I386 HydrophobicContact CG-CD1 4.36Å; P323-F406 HydrophobicContact CB-CD1 4.46Å; P323-F406 HydrophobicContact CB-CE1 4.03Å; P323-F406 HydrophobicContact CB-CE2 4.12Å; P323-F406 HydrophobicContact CB-CZ 3.85Å
324T95Very high84Confident30 Ų3050.4 Ų50.418%0.18427%0.267CS..  trans-111178.1175.473.70000110.8N322 V326 A385 F406 Y407N322-T324 PolarHBondContact O-N 3.46Å; T324-V326 VanDerWaalsContact C-N 3.29Å; T324-V326 PolarHBondContact OG1-N 3.25Å; T324-V326 PolarHBondContact OG1-O 2.6Å; T324-A385 VanDerWaalsContact O-CB 3.23Å; T324-A385 WeakPolarHBondContact O-CB 3.5Å; T324-F406 HydrophobicContact CG2-CB 4.4Å; T324-Y407 VanDerWaalsContact CB-O 3.29Å; T324-Y407 WeakPolarHBondContact CB-O 3.46Å; T324-Y407 VanDerWaalsContact CG2-O 3.31Å; T324-Y407 WeakPolarHBondContact CG2-O 3.19Å; T324-Y407 PolarHBondContact OG1-O 3.07Å
325K95.3Very high85.5Confident81 Ų8151.1 Ų51.135%0.35226%0.261SS..SBendtrans-77.6-13.4171.6-63.3-169.5-179.6-161.40113.7F379 E380 V382 L409K325-F379 PolarHBondContact O-N 3.32Å; K325-E380 WeakPolarHBondContact CE-O 3.1Å; K325-E380 PolarHBondContact NZ-O 3.19Å; K325-V382 HydrophobicContact CG-CG2 3.51Å; K325-L409 HydrophobicContact CB-CD1 3.92Å; K325-L409 HydrophobicContact CD-CD1 4.24Å; K325-L409 HydrophobicContact CG-CD1 4.3Å
326V95.7Very high86.4Confident0 Ų049.2 Ų49.20%026%0.26CS..EExtended strand (participates in β ladder)trans-105.8124.3-174-171.90000108.9T324 F376 L377 E378 F406 Y407 L409 F412T324-V326 VanDerWaalsContact C-N 3.29Å; T324-V326 PolarHBondContact OG1-N 3.25Å; T324-V326 PolarHBondContact OG1-O 2.6Å; V326-F376 HydrophobicContact CG1-CD1 4.44Å; V326-L377 CarbonylContact C-O 3.57Å; V326-L377 WeakPolarHBondContact CA-O 3.47Å; V326-E378 HydrophobicContact CG2-CB 4.34Å; V326-E378 HydrophobicContact CG2-CG 4.31Å; V326-F406 WeakPolarHBondContact O-CA 3.28Å; V326-Y407 PolarHBondContact O-N 3.36Å; V326-L409 HydrophobicContact CG2-CB 4.25Å; V326-L409 HydrophobicContact CG2-CD1 4.29Å; V326-L409 HydrophobicContact CG2-CG 4.45Å; V326-F412 HydrophobicContact CG1-CB 4.23Å; V326-F412 HydrophobicContact CG1-CD1 4.23Å; V326-F412 HydrophobicContact CG1-CD2 3.98Å; V326-F412 HydrophobicContact CG1-CE2 4.42Å; V326-F412 HydrophobicContact CG1-CG 3.88Å; V326-F412 HydrophobicContact CG2-CB 4.13Å; V326-F412 HydrophobicContact CG2-CD1 3.83Å; V326-F412 HydrophobicContact CG2-CG 4.05Å
327V96.1Very high87.6Confident0 Ų050.8 Ų50.80%027%0.265CS..EExtended strand (participates in β ladder)trans-101.7135.6173.9179.50000108.8L329 F376 L377 F379 A385 A388 V389 C405V327-L329 HydrophobicContact CG1-CD2 3.69Å; V327-L329 HydrophobicContact CG1-CG 4.27Å; V327-F376 CarbonylContact O-C 3.53Å; V327-F376 WeakPolarHBondContact O-CA 3.13Å; V327-L377 HydrophobicContact CB-CB 4.4Å; V327-L377 PolarHBondContact N-O 2.88Å; V327-L377 PolarHBondContact O-N 3.21Å; V327-F379 HydrophobicContact CB-CE2 4.29Å; V327-F379 HydrophobicContact CG2-CD2 4.02Å; V327-F379 HydrophobicContact CG2-CE2 3.72Å; V327-A385 HydrophobicContact CG2-CB 3.62Å; V327-A388 HydrophobicContact CG2-CB 4.47Å; V327-V389 HydrophobicContact CB-CG2 4.29Å; V327-V389 HydrophobicContact CG1-CG2 3.68Å; V327-V389 HydrophobicContact CG2-CG2 3.75Å; V327-C405 WeakPolarHBondContact CA-O 3.21Å
328L95.2Very high88.8Confident0 Ų050.1 Ų50.10%026%0.261CS..EExtended strand (participates in β ladder)trans-109121.4170165.259.6000108.9R330 R374 I375 F376 A404 C405 Y407 V421L328-R330 HydrophobicContact CD1-CG 3.92Å; L328-R330 HydrophobicContact CD2-CG 4.26Å; L328-R330 HydrophobicContact CG-CG 3.92Å; L328-R374 HydrophobicContact CD1-CB 3.66Å; L328-R374 HydrophobicContact CD1-CG 4.08Å; L328-I375 WeakPolarHBondContact CA-O 3.24Å; L328-F376 HydrophobicContact CB-CD1 4.24Å; L328-F376 HydrophobicContact CB-CE1 4.24Å; L328-F376 HydrophobicContact CD1-CD1 4.17Å; L328-F376 HydrophobicContact CD1-CE1 3.84Å; L328-F376 HydrophobicContact CD1-CE2 4.22Å; L328-F376 HydrophobicContact CD1-CZ 3.87Å; L328-F376 HydrophobicContact CD2-CE1 4.22Å; L328-F376 HydrophobicContact CG-CE1 4.32Å; L328-A404 WeakPolarHBondContact O-CA 3.19Å; L328-C405 PolarHBondContact N-O 3.43Å; L328-C405 PolarHBondContact O-N 3.05Å; L328-Y407 HydrophobicContact CB-CD2 4.35Å; L328-Y407 HydrophobicContact CD2-CD2 3.89Å; L328-Y407 HydrophobicContact CD2-CE2 4.36Å; L328-V421 HydrophobicContact CD2-CB 4.29Å; L328-V421 HydrophobicContact CD2-CG2 3.74Å
329L95.4Very high89.8Confident2 Ų249.8 Ų49.81%0.0126%0.262CS..EExtended strand (participates in β ladder)trans-103.8130.9171.6-50.3179000109.2V327 M332 T346 I375 L377 L392 V402 A404V327-L329 HydrophobicContact CG1-CD2 3.69Å; V327-L329 HydrophobicContact CG1-CG 4.27Å; L329-M332 HydrophobicContact CB-CG 4.37Å; L329-M332 HydrophobicContact CB-SD 3.69Å; L329-M332 HydrophobicContact CD1-SD 3.46Å; L329-M332 WeakPolarHBondContact CD1-SD 3.41Å; L329-M332 HydrophobicContact CG-SD 4.19Å; L329-T346 HydrophobicContact CD1-CG2 4.11Å; L329-I375 HydrophobicContact CB-CB 4.36Å; L329-I375 PolarHBondContact N-O 2.86Å; L329-I375 PolarHBondContact O-N 3.23Å; L329-L377 HydrophobicContact CD1-CD1 3.62Å; L329-L377 HydrophobicContact CG-CD1 4.18Å; L329-L392 HydrophobicContact CD1-CD1 3.97Å; L329-L392 HydrophobicContact CD2-CB 4.21Å; L329-L392 HydrophobicContact CD2-CD1 3.93Å; L329-V402 HydrophobicContact CB-CG1 4.27Å; L329-V402 HydrophobicContact CD2-CG1 4.23Å; L329-A404 HydrophobicContact CD2-CB 3.41Å; L329-A404 VanDerWaalsContact CD2-CB 3.41Å
330R94.4Very high90.7Very high16 Ų1657 Ų576%0.0630%0.295CS..EExtended strand (participates in β ladder)trans-127.3156.9178.8-57.516576.5-179.64.1109.1L328 M332 E371 K403 V421L328-R330 HydrophobicContact CD1-CG 3.92Å; L328-R330 HydrophobicContact CD2-CG 4.26Å; L328-R330 HydrophobicContact CG-CG 3.92Å; R330-M332 PolarHBondContact O-N 3.18Å; R330-E371 IonicContact CZ-OE1 2.62Å; R330-E371 IonicContact NH2-OE1 2.64Å; R330-E371 PolarHBondContact NH2-OE1 2.8Å; R330-E371 IonicContact NH2-OE2 3.88Å; R330-E371 PolarHBondContact NH2-OE2 3.32Å; R330-K403 HydrophobicContact CB-CB 4.29Å; R330-K403 PolarHBondContact N-O 2.74Å; R330-K403 PolarHBondContact O-N 3.26Å; R330-V421 PolarHBondContact NH1-O 3.4Å
331N94.6Very high91.3Very high22 Ų2259.4 Ų59.412%0.11831%0.308CS..SBendtrans56.732.6-176.6-164.541000114.1D370 R400 V401N331-D370 WeakPolarHBondContact CA-O 3.23Å; N331-D370 HydrophobicContact CB-CB 4.13Å; N331-D370 WeakPolarHBondContact CB-O 3.47Å; N331-D370 PolarHBondContact N-O 3.05Å; N331-D370 WeakPolarHBondContact OD1-CA 3.49Å; N331-D370 WeakPolarHBondContact OD1-CB 3.16Å; N331-R400 VanDerWaalsContact O-CB 3.31Å; N331-R400 WeakPolarHBondContact O-CB 3.31Å; N331-V401 PolarHBondContact ND2-O 3.42Å
332M92.9Very high92.2Very high14 Ų1453.7 Ų53.77%0.06928%0.284CS..SBendtrans-79.2-47.1168.1-84-176.567.100111.3L329 R330 L342 T346 I375 F397 R400 V402L329-M332 HydrophobicContact CB-CG 4.37Å; L329-M332 HydrophobicContact CB-SD 3.69Å; L329-M332 HydrophobicContact CD1-SD 3.46Å; L329-M332 WeakPolarHBondContact CD1-SD 3.41Å; L329-M332 HydrophobicContact CG-SD 4.19Å; R330-M332 PolarHBondContact O-N 3.18Å; M332-L342 HydrophobicContact CE-CD1 4.38Å; M332-T346 HydrophobicContact CE-CG2 4.15Å; M332-T346 HydrophobicContact SD-CG2 4.49Å; M332-I375 HydrophobicContact CB-CD1 4.17Å; M332-I375 HydrophobicContact CE-CD1 4.17Å; M332-I375 HydrophobicContact SD-CD1 3.88Å; M332-F397 HydrophobicContact CB-CD1 4.35Å; M332-F397 HydrophobicContact CE-CD1 4.29Å; M332-F397 HydrophobicContact CE-CD2 3.88Å; M332-F397 HydrophobicContact CE-CE1 4.35Å; M332-F397 HydrophobicContact CE-CE2 3.95Å; M332-F397 HydrophobicContact CE-CG 4.06Å; M332-F397 HydrophobicContact CE-CZ 4.18Å; M332-F397 WeakPolarHBondContact O-CD1 3.47Å; M332-R400 WeakPolarHBondContact O-CD 3.33Å; M332-V402 HydrophobicContact CG-CB 4.27Å; M332-V402 HydrophobicContact CG-CG1 3.82Å; M332-V402 HydrophobicContact CG-CG2 3.51Å; M332-V402 HydrophobicContact SD-CG1 4.35Å
333V93.4Very high92.6Very high15 Ų1551.9 Ų51.99%0.09127%0.271CS..SBendtrans-135.9158.8177.7-63.50000109.1E337 V338 L342 V373 F397V333-E337 HydrophobicContact CB-CB 4.02Å; V333-V338 HydrophobicContact CG2-CG2 4.1Å; V333-L342 HydrophobicContact CB-CD2 4.47Å; V333-L342 HydrophobicContact CG1-CD1 4.24Å; V333-L342 HydrophobicContact CG1-CD2 3.98Å; V333-L342 HydrophobicContact CG2-CD2 3.66Å; V333-V373 HydrophobicContact CG2-CB 3.92Å; V333-V373 HydrophobicContact CG2-CG1 3.7Å; V333-V373 HydrophobicContact CG2-CG2 4.03Å; V333-F397 HydrophobicContact CG1-CD1 4.48Å; V333-F397 HydrophobicContact CG1-CE1 3.98Å
334G90.3Very high92.7Very high0 Ų050.8 Ų50.80%027%0.27CS..  trans-82.8177.9175.200000113.6G336 E337 D369 V373 R400G334-G336 PolarHBondContact O-N 2.85Å; G334-E337 WeakPolarHBondContact CA-OE2 3.42Å; G334-E337 PolarHBondContact N-OE2 2.88Å; G334-E337 WeakPolarHBondContact O-CB 3.47Å; G334-E337 PolarHBondContact O-N 2.79Å; G334-E337 VanDerWaalsContact O-N 3.07Å; G334-D369 WeakPolarHBondContact CA-OD1 3.42Å; G334-V373 VanDerWaalsContact O-CG2 3.28Å; G334-V373 WeakPolarHBondContact O-CG2 3.43Å; G334-R400 VanDerWaalsContact CA-NH2 3.29Å; G334-R400 VanDerWaalsContact N-CZ 3.35Å
335R90.3Very high92.6Very high128 Ų12854.9 Ų54.948%0.48329%0.287SS..THydrogen-bonded Turntrans-61.3123.6177-170.5-173.7177.51680.3110.5E337 E363 D369 A372R335-E337 PolarHBondContact O-N 2.81Å; R335-E363 WeakPolarHBondContact CG-OE1 3.47Å; R335-E363 IonicContact NE-OE1 3.12Å; R335-D369 PolarHBondContact N-OD1 2.87Å; R335-A372 HydrophobicContact CB-CB 3.97Å; R335-A372 HydrophobicContact CG-CB 4.42Å
336G86.6Confident92.6Very high61 Ų6151.3 Ų51.363%0.62927%0.272SS*.THydrogen-bonded Turntrans71.47.3-17600000115.4G334 V338 E363G334-G336 PolarHBondContact O-N 2.85Å; G336-V338 VanDerWaalsContact C-N 3.28Å; G336-E363 PolarHBondContact N-OE2 3.24Å
337E88.6Confident92.5Very high106 Ų10655.2 Ų55.250%0.49529%0.289SS..  trans-93.621.3169.5-61-177.8155.900111.6V333 G334 R335 R400V333-E337 HydrophobicContact CB-CB 4.02Å; G334-E337 WeakPolarHBondContact CA-OE2 3.42Å; G334-E337 PolarHBondContact N-OE2 2.88Å; G334-E337 WeakPolarHBondContact O-CB 3.47Å; G334-E337 PolarHBondContact O-N 2.79Å; G334-E337 VanDerWaalsContact O-N 3.07Å; R335-E337 PolarHBondContact O-N 2.81Å; E337-R400 IonicContact OE1-NH2 3.66Å; E337-R400 IonicContact OE2-CZ 3.45Å; E337-R400 IonicContact OE2-NE 3.46Å; E337-R400 PolarHBondContact OE2-NE 3.06Å; E337-R400 IonicContact OE2-NH2 2.79Å; E337-R400 PolarHBondContact OE2-NH2 3.27Å
338V91.1Very high92.4Very high55 Ų5562.4 Ų62.433%0.33332%0.323SS..  trans-89.9111.7174.9179.80000109V333 G336 L342 I361 V373V333-V338 HydrophobicContact CG2-CG2 4.1Å; G336-V338 VanDerWaalsContact C-N 3.28Å; V338-L342 HydrophobicContact CG1-CD2 4.38Å; V338-I361 HydrophobicContact CG1-CD1 4.34Å; V338-I361 HydrophobicContact CG1-CG2 3.9Å; V338-I361 HydrophobicContact CG2-CG2 4.17Å; V338-V373 HydrophobicContact CG2-CB 4.42Å; V338-V373 HydrophobicContact CG2-CG1 3.77Å; V338-V373 HydrophobicContact CG2-CG2 3.72Å
339D92Very high92.3Very high96 Ų9665.8 Ų65.851%0.51334%0.339SS..  trans-100.8176.5171.76026.1000112.1D341 L342D339-D341 VanDerWaalsContact C-N 3.32Å; D339-D341 PolarHBondContact OD1-N 3.01Å; D339-L342 WeakPolarHBondContact OD1-CB 3.26Å; D339-L342 PolarHBondContact OD1-N 3.11Å
340E91.8Very high92.3Very high193 Ų19365.8 Ų65.890%0.90234%0.339SS*.SBendtrans-74.3-23-178.9-62.5-176.9-179.400112.5
341D91.5Very high92.3Very high116 Ų11669.5 Ų69.562%0.6236%0.357SS*.SBendtrans-83.6-30.2-176.9-68.4-43000112.3D339 E343 G344 E345D339-D341 VanDerWaalsContact C-N 3.32Å; D339-D341 PolarHBondContact OD1-N 3.01Å; D341-E343 VanDerWaalsContact C-N 3.26Å; D341-E343 PolarHBondContact O-N 3.45Å; D341-E343 VanDerWaalsContact O-N 3.14Å; D341-G344 WeakPolarHBondContact O-CA 3.47Å; D341-G344 PolarHBondContact O-N 3.23Å; D341-E345 PolarHBondContact O-N 2.89Å
342L91.9Very high92.4Very high4 Ų473.6 Ų73.62%0.02137%0.373CS..Hα-helixtrans-52.6-36.5-178.6178.564000114.1M332 V333 V338 D339 T346 I361 I375 F397M332-L342 HydrophobicContact CE-CD1 4.38Å; V333-L342 HydrophobicContact CB-CD2 4.47Å; V333-L342 HydrophobicContact CG1-CD1 4.24Å; V333-L342 HydrophobicContact CG1-CD2 3.98Å; V333-L342 HydrophobicContact CG2-CD2 3.66Å; V338-L342 HydrophobicContact CG1-CD2 4.38Å; D339-L342 WeakPolarHBondContact OD1-CB 3.26Å; D339-L342 PolarHBondContact OD1-N 3.11Å; L342-T346 WeakPolarHBondContact O-CB 3.45Å; L342-T346 PolarHBondContact O-N 2.81Å; L342-T346 PolarHBondContact O-OG1 3.36Å; L342-I361 HydrophobicContact CB-CD1 4.31Å; L342-I361 HydrophobicContact CD2-CD1 4.07Å; L342-I361 HydrophobicContact CG-CD1 4Å; L342-I375 HydrophobicContact CD1-CD1 4.18Å; L342-I375 HydrophobicContact CD2-CD1 4.01Å; L342-I375 HydrophobicContact CG-CD1 4.13Å; L342-F397 HydrophobicContact CD1-CE1 4.18Å; L342-F397 HydrophobicContact CD1-CZ 3.96Å
343E91.9Very high92.5Very high93 Ų9374.1 Ų74.144%0.43538%0.375SS..Hα-helixtrans-66.7-43.6176.6-163.3-167.9138.800111D341 K347 C359 I361D341-E343 VanDerWaalsContact C-N 3.26Å; D341-E343 PolarHBondContact O-N 3.45Å; D341-E343 VanDerWaalsContact O-N 3.14Å; E343-K347 WeakPolarHBondContact O-CB 3.25Å; E343-K347 PolarHBondContact O-N 3.46Å; E343-C359 HydrophobicContact CG-CB 3.76Å; E343-I361 HydrophobicContact CB-CD1 3.87Å; E343-I361 HydrophobicContact CG-CD1 4.38Å
344G92.9Very high92.6Very high35 Ų3574.2 Ų74.236%0.36138%0.379SS..Hα-helixtrans-64.9-54.317800000111.7D341 T346 K347 E348D341-G344 WeakPolarHBondContact O-CA 3.47Å; D341-G344 PolarHBondContact O-N 3.23Å; G344-T346 PolarHBondContact O-N 3.04Å; G344-K347 PolarHBondContact O-N 3.24Å; G344-E348 WeakPolarHBondContact O-CG 3.35Å; G344-E348 PolarHBondContact O-N 3.47Å
345E93.4Very high92.9Very high115 Ų11581 Ų8154%0.53741%0.409SS..Hα-helixtrans-57.8-47.6179.1-67.6-163.215800111.9D341 K347 E348 E349D341-E345 PolarHBondContact O-N 2.89Å; E345-K347 VanDerWaalsContact C-N 3.3Å; E345-K347 PolarHBondContact O-N 3.38Å; E345-E348 PolarHBondContact O-N 3.26Å; E345-E349 VanDerWaalsContact O-CB 3.24Å; E345-E349 WeakPolarHBondContact O-CB 3.33Å; E345-E349 PolarHBondContact O-N 3.2Å
346T94Very high93.2Very high6 Ų675.3 Ų75.34%0.03739%0.388CS..Hα-helixtrans-65.1-36.6-179.3-56.70000111.3L329 M332 L342 G344 C350 I375 L377L329-T346 HydrophobicContact CD1-CG2 4.11Å; M332-T346 HydrophobicContact CE-CG2 4.15Å; M332-T346 HydrophobicContact SD-CG2 4.49Å; L342-T346 WeakPolarHBondContact O-CB 3.45Å; L342-T346 PolarHBondContact O-N 2.81Å; L342-T346 PolarHBondContact O-OG1 3.36Å; G344-T346 PolarHBondContact O-N 3.04Å; T346-C350 VanDerWaalsContact O-CB 3.26Å; T346-C350 WeakPolarHBondContact O-CB 3.49Å; T346-C350 PolarHBondContact O-N 3.34Å; T346-C350 VanDerWaalsContact O-N 3.13Å; T346-C350 PolarHBondContact O-SG 2.61Å; T346-I375 HydrophobicContact CG2-CG2 4.02Å; T346-L377 HydrophobicContact CG2-CD1 4.1Å; T346-L377 HydrophobicContact CG2-CD2 4.46Å
347K94.2Very high93.6Very high82 Ų8276.6 Ų76.636%0.35738%0.384SS..Hα-helixtrans-68.2-50.7176.8-179.3-173.8170.1-163.50111.6E343 G344 E345 E349 C350 E351 V356E343-K347 WeakPolarHBondContact O-CB 3.25Å; E343-K347 PolarHBondContact O-N 3.46Å; G344-K347 PolarHBondContact O-N 3.24Å; E345-K347 VanDerWaalsContact C-N 3.3Å; E345-K347 PolarHBondContact O-N 3.38Å; K347-E349 PolarHBondContact O-N 3.32Å; K347-C350 CarbonylContact O-C 3.57Å; K347-C350 WeakPolarHBondContact O-CA 3.25Å; K347-C350 PolarHBondContact O-N 2.9Å; K347-E351 VanDerWaalsContact CE-OE1 3.24Å; K347-E351 WeakPolarHBondContact CE-OE1 3.46Å; K347-E351 PolarHBondContact O-N 3.11Å; K347-V356 HydrophobicContact CG-CB 4.31Å; K347-V356 HydrophobicContact CG-CG1 4.26Å
348E94.1Very high93.8Very high151 Ų15175.8 Ų75.871%0.70638%0.379SS*.Hα-helixtrans-60.3-44.7179.5-72-170.8-179.400111.7G344 E345 C350 E351G344-E348 WeakPolarHBondContact O-CG 3.35Å; G344-E348 PolarHBondContact O-N 3.47Å; E345-E348 PolarHBondContact O-N 3.26Å; E348-C350 PolarHBondContact O-N 3.08Å; E348-E351 PolarHBondContact O-N 2.84Å
349E92.9Very high94Very high71 Ų7173.7 Ų73.733%0.33237%0.366SS..Hα-helixtrans-64.2-24.6175.5178.464.5165.600112.5E345 K347 K352 R395E345-E349 VanDerWaalsContact O-CB 3.24Å; E345-E349 WeakPolarHBondContact O-CB 3.33Å; E345-E349 PolarHBondContact O-N 3.2Å; K347-E349 PolarHBondContact O-N 3.32Å; E349-K352 WeakPolarHBondContact O-CD 3.5Å; E349-K352 WeakPolarHBondContact O-CE 3.17Å; E349-K352 VanDerWaalsContact O-CG 3.24Å; E349-K352 WeakPolarHBondContact O-CG 3.37Å; E349-K352 IonicContact OE1-NZ 3.79Å; E349-K352 PolarHBondContact OE1-NZ 2.94Å; E349-K352 WeakPolarHBondContact OE2-CD 3.29Å; E349-K352 IonicContact OE2-NZ 2.61Å; E349-K352 PolarHBondContact OE2-NZ 3.36Å; E349-R395 IonicContact OE1-CZ 2.95Å; E349-R395 IonicContact OE1-NH1 2.6Å; E349-R395 PolarHBondContact OE1-NH1 3.47Å; E349-R395 IonicContact OE1-NH2 3.79Å; E349-R395 PolarHBondContact OE1-NH2 2.94Å
350C94.8Very high94.1Very high2 Ų270.4 Ų70.41%0.01435%0.349CS..Hα-helixtrans-87.2-26.8175.2-73.50000114.1T346 K347 E348 K352 Y353 V356 L377 F379T346-C350 VanDerWaalsContact O-CB 3.26Å; T346-C350 WeakPolarHBondContact O-CB 3.49Å; T346-C350 PolarHBondContact O-N 3.34Å; T346-C350 VanDerWaalsContact O-N 3.13Å; T346-C350 PolarHBondContact O-SG 2.61Å; K347-C350 CarbonylContact O-C 3.57Å; K347-C350 WeakPolarHBondContact O-CA 3.25Å; K347-C350 PolarHBondContact O-N 2.9Å; E348-C350 PolarHBondContact O-N 3.08Å; C350-K352 PolarHBondContact O-N 3.26Å; C350-K352 VanDerWaalsContact O-N 3.11Å; C350-Y353 HydrophobicContact CB-CD2 4.49Å; C350-Y353 WeakPolarHBondContact O-CD2 3.24Å; C350-Y353 PolarHBondContact O-N 2.54Å; C350-V356 HydrophobicContact CB-CG2 3.89Å; C350-L377 HydrophobicContact CB-CD1 4.31Å; C350-L377 HydrophobicContact CB-CD2 4.18Å; C350-L377 WeakPolarHBondContact SG-CD1 3.49Å; C350-F379 HydrophobicContact CB-CE1 4.38Å; C350-F379 HydrophobicContact CB-CZ 3.96Å
351E95.7Very high94.2Very high94 Ų9463 Ų6344%0.43932%0.316SS..Hα-helixtrans-60.2-23.1178.3-79.2-172-173.500112.8K347 E348 Y353 G354 V356K347-E351 VanDerWaalsContact CE-OE1 3.24Å; K347-E351 WeakPolarHBondContact CE-OE1 3.46Å; K347-E351 PolarHBondContact O-N 3.11Å; E348-E351 PolarHBondContact O-N 2.84Å; E351-Y353 PolarHBondContact O-N 2.84Å; E351-G354 WeakPolarHBondContact CA-O 3.24Å; E351-G354 CarbonylContact O-C 3.59Å; E351-G354 WeakPolarHBondContact O-CA 3.37Å; E351-G354 PolarHBondContact O-N 3.4Å; E351-V356 HydrophobicContact CG-CB 4.26Å; E351-V356 HydrophobicContact CG-CG2 3.97Å
352K95.6Very high94.2Very high108 Ų10861.3 Ų61.347%0.4730%0.303SS..THydrogen-bonded Turntrans-62.4-25173.281-167.2178179.90114.5E349 C350E349-K352 WeakPolarHBondContact O-CD 3.5Å; E349-K352 WeakPolarHBondContact O-CE 3.17Å; E349-K352 VanDerWaalsContact O-CG 3.24Å; E349-K352 WeakPolarHBondContact O-CG 3.37Å; E349-K352 IonicContact OE1-NZ 3.79Å; E349-K352 PolarHBondContact OE1-NZ 2.94Å; E349-K352 WeakPolarHBondContact OE2-CD 3.29Å; E349-K352 IonicContact OE2-NZ 2.61Å; E349-K352 PolarHBondContact OE2-NZ 3.36Å; C350-K352 PolarHBondContact O-N 3.26Å; C350-K352 VanDerWaalsContact O-N 3.11Å
353Y95.3Very high94.2Very high25 Ų2564.8 Ų64.810%0.09832%0.319CS..THydrogen-bonded Turntrans-86.7-21.1174.8-49.2-69.4000112.1C350 E351 S384 K387 A388 D391 L392C350-Y353 HydrophobicContact CB-CD2 4.49Å; C350-Y353 WeakPolarHBondContact O-CD2 3.24Å; C350-Y353 PolarHBondContact O-N 2.54Å; E351-Y353 PolarHBondContact O-N 2.84Å; Y353-S384 VanDerWaalsContact O-CB 3.27Å; Y353-S384 WeakPolarHBondContact O-CB 3.42Å; Y353-S384 PolarHBondContact O-OG 2.96Å; Y353-K387 HydrophobicContact CD1-CB 4.16Å; Y353-A388 HydrophobicContact CD2-CB 3.53Å; Y353-A388 HydrophobicContact CE2-CB 3.99Å; Y353-A388 HydrophobicContact CG-CB 3.89Å; Y353-D391 HydrophobicContact CE1-CB 3.59Å; Y353-D391 WeakPolarHBondContact CE1-OD2 3.38Å; Y353-D391 PolarHBondContact OH-OD2 2.9Å; Y353-L392 HydrophobicContact CE2-CD1 4.07Å; Y353-L392 HydrophobicContact CE2-CD2 4.24Å; Y353-L392 HydrophobicContact CE2-CG 4.07Å; Y353-L392 WeakPolarHBondContact OH-CD2 3.49Å
354G95.6Very high94.1Very high18 Ų1861.6 Ų61.619%0.18631%0.305CS..SBendtrans149.1174.5174.600000112.1E351 V356 S384E351-G354 WeakPolarHBondContact CA-O 3.24Å; E351-G354 CarbonylContact O-C 3.59Å; E351-G354 WeakPolarHBondContact O-CA 3.37Å; E351-G354 PolarHBondContact O-N 3.4Å; G354-V356 PolarHBondContact O-N 2.85Å; G354-S384 WeakPolarHBondContact CA-OG 3.45Å
355K96.6Very high93.7Very high141 Ų14162.7 Ų62.761%0.61331%0.311SS*.  trans-59.1118.7-172.2-167.3-178.1-172.9-178.90112.6E380K355-E380 HydrophobicContact CB-CB 4.33Å; K355-E380 VanDerWaalsContact CD-OE2 3.24Å; K355-E380 WeakPolarHBondContact CD-OE2 3.31Å; K355-E380 PolarHBondContact O-N 2.98Å
356V96.3Very high93.2Very high9 Ų964.3 Ų64.36%0.05532%0.323CS..EExtended strand (participates in β ladder)trans-82.5129.5170.4-176.40000108.7K347 C350 E351 G354 L377 F379K347-V356 HydrophobicContact CG-CB 4.31Å; K347-V356 HydrophobicContact CG-CG1 4.26Å; C350-V356 HydrophobicContact CB-CG2 3.89Å; E351-V356 HydrophobicContact CG-CB 4.26Å; E351-V356 HydrophobicContact CG-CG2 3.97Å; G354-V356 PolarHBondContact O-N 2.85Å; V356-L377 HydrophobicContact CG1-CD2 4.02Å; V356-F379 HydrophobicContact CG2-CD1 4.14Å; V356-F379 HydrophobicContact CG2-CE1 3.77Å; V356-F379 HydrophobicContact CG2-CZ 4.27Å
357V95.1Very high93Very high89 Ų8965.9 Ų65.954%0.53933%0.333SS..EExtended strand (participates in β ladder)trans-90.5-42.4178.2178.50000110.5E378 E380V357-E378 HydrophobicContact CB-CG 4.3Å; V357-E378 PolarHBondContact N-O 3.49Å; V357-E380 HydrophobicContact CG2-CB 4.11Å
358K93.5Very high92.8Very high89 Ų8965.7 Ų65.739%0.38734%0.34SS..EExtended strand (participates in β ladder)trans-149.5135.8-176.9-164.4-179.7-179.6-165.50110.6V360 E378 F412K358-V360 HydrophobicContact CD-CG2 4Å; K358-V360 VanDerWaalsContact CE-CG2 3.5Å; K358-V360 HydrophobicContact CG-CG2 4.07Å; K358-E378 HydrophobicContact CB-CB 4.2Å; K358-E378 PolarHBondContact N-O 3.09Å; K358-E378 PolarHBondContact O-N 3.09Å; K358-F412 HydrophobicContact CB-CZ 4.45Å; K358-F412 HydrophobicContact CD-CE1 4.09Å; K358-F412 HydrophobicContact CD-CZ 3.95Å; K358-F412 HydrophobicContact CG-CZ 4.36Å
359C94.6Very high92.6Very high11 Ų1161.8 Ų61.87%0.07432%0.324CS..EExtended strand (participates in β ladder)trans-106.3145.4163.3-160.70000107.9E343 F376 L377E343-C359 HydrophobicContact CG-CB 3.76Å; C359-F376 CarbonylContact C-O 3.52Å; C359-F376 WeakPolarHBondContact CA-O 3.42Å; C359-L377 HydrophobicContact CB-CD2 4.33Å
360V93.9Very high92.4Very high26 Ų2661 Ų6116%0.15832%0.322CS..EExtended strand (participates in β ladder)trans-145.7124.7171.6-1780000108.5K358 F376 F412 L417K358-V360 HydrophobicContact CD-CG2 4Å; K358-V360 VanDerWaalsContact CE-CG2 3.5Å; K358-V360 HydrophobicContact CG-CG2 4.07Å; V360-F376 HydrophobicContact CB-CB 4.37Å; V360-F376 PolarHBondContact N-O 2.95Å; V360-F376 PolarHBondContact O-N 3.45Å; V360-F412 HydrophobicContact CB-CE2 4.15Å; V360-F412 HydrophobicContact CG2-CE2 3.83Å; V360-F412 HydrophobicContact CG2-CZ 3.8Å; V360-L417 HydrophobicContact CG1-CD1 3.92Å
361I94.1Very high92.2Very high39 Ų3962.6 Ų62.620%0.233%0.329CS..EExtended strand (participates in β ladder)trans-99.3134.5170.6-55.6176.5000108.4V338 L342 E343 V373 I375V338-I361 HydrophobicContact CG1-CD1 4.34Å; V338-I361 HydrophobicContact CG1-CG2 3.9Å; V338-I361 HydrophobicContact CG2-CG2 4.17Å; L342-I361 HydrophobicContact CB-CD1 4.31Å; L342-I361 HydrophobicContact CD2-CD1 4.07Å; L342-I361 HydrophobicContact CG-CD1 4Å; E343-I361 HydrophobicContact CB-CD1 3.87Å; E343-I361 HydrophobicContact CG-CD1 4.38Å; I361-V373 HydrophobicContact CG2-CG1 3.93Å; I361-I375 HydrophobicContact CG1-CG1 4.24Å; I361-I375 HydrophobicContact CG1-CG2 4.14Å; I361-I375 HydrophobicContact CG2-CG1 4.39Å
362F92.8Very high92Very high80 Ų8058.1 Ų58.135%0.35131%0.308SS..EExtended strand (participates in β ladder)trans-135.7121.4178-174.1-117.1000110I364 R374 F376 L417F362-I364 HydrophobicContact CD1-CD1 4.13Å; F362-I364 HydrophobicContact CD1-CG1 3.72Å; F362-I364 HydrophobicContact CE1-CD1 3.95Å; F362-I364 HydrophobicContact CE1-CG1 3.62Å; F362-R374 PolarHBondContact N-O 3.4Å; F362-R374 PolarHBondContact O-N 3.34Å; F362-F376 HydrophobicContact CB-CE2 4.13Å; F362-L417 HydrophobicContact CB-CB 4.37Å; F362-L417 HydrophobicContact CB-CD1 3.89Å; F362-L417 HydrophobicContact CD1-CB 3.59Å; F362-L417 HydrophobicContact CD1-CD1 4.48Å; F362-L417 HydrophobicContact CD2-CD1 4.27Å; F362-L417 HydrophobicContact CE1-CB 3.96Å; F362-L417 HydrophobicContact CG-CB 3.97Å; F362-L417 HydrophobicContact CG-CD1 3.98Å
363E91.4Very high91.9Very high76 Ų7653.1 Ų53.136%0.35529%0.286SS..EExtended strand (participates in β ladder)trans-97.8130173.2-173.2178.4137.300109.8R335 G336 A372 V373R335-E363 WeakPolarHBondContact CG-OE1 3.47Å; R335-E363 IonicContact NE-OE1 3.12Å; G336-E363 PolarHBondContact N-OE2 3.24Å; E363-A372 CarbonylContact C-O 3.6Å; E363-A372 WeakPolarHBondContact CA-O 3.34Å; E363-V373 HydrophobicContact CG-CG2 4.22Å
364I88.9Confident91.8Very high26 Ų2652.2 Ų52.213%0.13328%0.283CS..PPolyproline II helixtrans-103.8123.4178.9-47.8-167.7000109.4F362 V367 A372 R374F362-I364 HydrophobicContact CD1-CD1 4.13Å; F362-I364 HydrophobicContact CD1-CG1 3.72Å; F362-I364 HydrophobicContact CE1-CD1 3.95Å; F362-I364 HydrophobicContact CE1-CG1 3.62Å; I364-V367 HydrophobicContact CB-CB 4.39Å; I364-V367 HydrophobicContact CB-CG2 4.09Å; I364-V367 HydrophobicContact CG2-CB 4.38Å; I364-V367 HydrophobicContact CG2-CG2 3.58Å; I364-A372 PolarHBondContact N-O 2.79Å; I364-R374 HydrophobicContact CD1-CG 4.43Å
365A84.7Confident91.8Very high59 Ų5951.4 Ų51.449%0.48827%0.274SS..THydrogen-bonded Turntrans-66.9150.2170.600000111.6V367A365-V367 VanDerWaalsContact C-N 3.25Å; A365-V367 PolarHBondContact O-N 2.87Å
366D84.3Confident91.8Very high149 Ų14944.7 Ų44.780%0.79725%0.245SC*.THydrogen-bonded Turntrans63.423.6170.8-49-31.3000116
367V88.4Confident91.8Very high39 Ų3944.2 Ų44.224%0.23624%0.242CC..SBendtrans-112.5148.7174.8169.80000109.2I364 A365 E371I364-V367 HydrophobicContact CB-CB 4.39Å; I364-V367 HydrophobicContact CB-CG2 4.09Å; I364-V367 HydrophobicContact CG2-CB 4.38Å; I364-V367 HydrophobicContact CG2-CG2 3.58Å; A365-V367 VanDerWaalsContact C-N 3.25Å; A365-V367 PolarHBondContact O-N 2.87Å; V367-E371 VanDerWaalsContact CG1-C 3.46Å; V367-E371 HydrophobicContact CG1-CB 3.41Å; V367-E371 VanDerWaalsContact CG1-CB 3.41Å
368P90.4Very high91.9Very high78 Ų7841.3 Ų41.351%0.50622%0.223SC..  trans-59.5154.7176.725.4-37.1000112.7D370 E371 A372P368-D370 PolarHBondContact O-N 3.44Å; P368-D370 VanDerWaalsContact O-N 3.1Å; P368-E371 HydrophobicContact CG-CB 4.3Å; P368-E371 HydrophobicContact CG-CG 4.33Å; P368-E371 CarbonylContact O-C 3.53Å; P368-E371 PolarHBondContact O-N 2.9Å; P368-A372 PolarHBondContact O-N 3.2Å
369D89.3Confident92Very high69 Ų6937.1 Ų37.137%0.36921%0.205SC..Hα-helixtrans-58.7-27.9-170.4-165.862.1000114.6G334 R335 E371 R400G334-D369 WeakPolarHBondContact CA-OD1 3.42Å; R335-D369 PolarHBondContact N-OD1 2.87Å; D369-E371 VanDerWaalsContact C-N 3.31Å; D369-R400 IonicContact OD2-CZ 3.22Å; D369-R400 VanDerWaalsContact OD2-CZ 3.22Å; D369-R400 IonicContact OD2-NH1 2.72Å; D369-R400 PolarHBondContact OD2-NH1 2.99Å; D369-R400 IonicContact OD2-NH2 2.81Å; D369-R400 PolarHBondContact OD2-NH2 2.9Å
370D89.1Confident92.1Very high54 Ų5440.2 Ų40.229%0.28922%0.218SC..Hα-helixtrans-81.3-8.717773.5-52000114N331 P368 K403N331-D370 WeakPolarHBondContact CA-O 3.23Å; N331-D370 HydrophobicContact CB-CB 4.13Å; N331-D370 WeakPolarHBondContact CB-O 3.47Å; N331-D370 PolarHBondContact N-O 3.05Å; N331-D370 WeakPolarHBondContact OD1-CA 3.49Å; N331-D370 WeakPolarHBondContact OD1-CB 3.16Å; P368-D370 PolarHBondContact O-N 3.44Å; P368-D370 VanDerWaalsContact O-N 3.1Å; D370-K403 IonicContact OD2-NZ 2.6Å; D370-K403 PolarHBondContact OD2-NZ 3.47Å
371E89.9Confident92.2Very high36 Ų3645.4 Ų45.417%0.16824%0.235CC..Hα-helixtrans-122.4-7.4176.8-57.1-162.1159.700113.6R330 V367 P368 D369 Q420R330-E371 IonicContact CZ-OE1 2.62Å; R330-E371 IonicContact NH2-OE1 2.64Å; R330-E371 PolarHBondContact NH2-OE1 2.8Å; R330-E371 IonicContact NH2-OE2 3.88Å; R330-E371 PolarHBondContact NH2-OE2 3.32Å; V367-E371 VanDerWaalsContact CG1-C 3.46Å; V367-E371 HydrophobicContact CG1-CB 3.41Å; V367-E371 VanDerWaalsContact CG1-CB 3.41Å; P368-E371 HydrophobicContact CG-CB 4.3Å; P368-E371 HydrophobicContact CG-CG 4.33Å; P368-E371 CarbonylContact O-C 3.53Å; P368-E371 PolarHBondContact O-N 2.9Å; D369-E371 VanDerWaalsContact C-N 3.31Å; E371-Q420 PolarHBondContact OE2-NE2 3.41Å; E371-Q420 VanDerWaalsContact OE2-NE2 3.16Å
372A91.9Very high92.3Very high0 Ų046 Ų460%024%0.24CC..Hα-helixtrans-62.9-45.3-175.800000112.7R335 E363 I364 P368R335-A372 HydrophobicContact CB-CB 3.97Å; R335-A372 HydrophobicContact CG-CB 4.42Å; E363-A372 CarbonylContact C-O 3.6Å; E363-A372 WeakPolarHBondContact CA-O 3.34Å; I364-A372 PolarHBondContact N-O 2.79Å; P368-A372 PolarHBondContact O-N 3.2Å
373V93.8Very high92.4Very high2 Ų248.3 Ų48.31%0.01225%0.252CS..EExtended strand (participates in β ladder)trans-100.5129.6177.9-176.50000111V333 G334 V338 I361 E363 I375V333-V373 HydrophobicContact CG2-CB 3.92Å; V333-V373 HydrophobicContact CG2-CG1 3.7Å; V333-V373 HydrophobicContact CG2-CG2 4.03Å; G334-V373 VanDerWaalsContact O-CG2 3.28Å; G334-V373 WeakPolarHBondContact O-CG2 3.43Å; V338-V373 HydrophobicContact CG2-CB 4.42Å; V338-V373 HydrophobicContact CG2-CG1 3.77Å; V338-V373 HydrophobicContact CG2-CG2 3.72Å; I361-V373 HydrophobicContact CG2-CG1 3.93Å; E363-V373 HydrophobicContact CG-CG2 4.22Å; V373-I375 HydrophobicContact CG1-CG1 4.25Å
374R94.3Very high92.7Very high6 Ų645.3 Ų45.32%0.02324%0.239CC..EExtended strand (participates in β ladder)trans-123.3120.3178.8-64-169.7-175.7-175.90.6109.9L328 F362 I364 F376 L417 G418 E419L328-R374 HydrophobicContact CD1-CB 3.66Å; L328-R374 HydrophobicContact CD1-CG 4.08Å; F362-R374 PolarHBondContact N-O 3.4Å; F362-R374 PolarHBondContact O-N 3.34Å; I364-R374 HydrophobicContact CD1-CG 4.43Å; R374-F376 HydrophobicContact CB-CD2 4.35Å; R374-F376 HydrophobicContact CB-CE2 3.56Å; R374-F376 HydrophobicContact CB-CZ 4.01Å; R374-L417 PolarHBondContact NH1-O 3.05Å; R374-G418 PolarHBondContact NH1-O 3.37Å; R374-G418 PolarHBondContact NH2-O 3.19Å; R374-G418 VanDerWaalsContact NH2-O 3.09Å; R374-E419 PolarHBondContact NH1-O 3.33Å
375I95.5Very high93Very high1 Ų144.1 Ų44.11%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-108.9122178.3-49.9178.7000108.4L328 L329 M332 L342 T346 I361 V373L328-I375 WeakPolarHBondContact CA-O 3.24Å; L329-I375 HydrophobicContact CB-CB 4.36Å; L329-I375 PolarHBondContact N-O 2.86Å; L329-I375 PolarHBondContact O-N 3.23Å; M332-I375 HydrophobicContact CB-CD1 4.17Å; M332-I375 HydrophobicContact CE-CD1 4.17Å; M332-I375 HydrophobicContact SD-CD1 3.88Å; L342-I375 HydrophobicContact CD1-CD1 4.18Å; L342-I375 HydrophobicContact CD2-CD1 4.01Å; L342-I375 HydrophobicContact CG-CD1 4.13Å; T346-I375 HydrophobicContact CG2-CG2 4.02Å; I361-I375 HydrophobicContact CG1-CG1 4.24Å; I361-I375 HydrophobicContact CG1-CG2 4.14Å; I361-I375 HydrophobicContact CG2-CG1 4.39Å; V373-I375 HydrophobicContact CG1-CG1 4.25Å
376F96.1Very high93.5Very high0 Ų043.8 Ų43.80%022%0.223CC..EExtended strand (participates in β ladder)trans-110.4131.5-176.9-61.6-95.5000110.8V326 V327 L328 C359 V360 F362 R374 Y407 F412 L417V326-F376 HydrophobicContact CG1-CD1 4.44Å; V327-F376 CarbonylContact O-C 3.53Å; V327-F376 WeakPolarHBondContact O-CA 3.13Å; L328-F376 HydrophobicContact CB-CD1 4.24Å; L328-F376 HydrophobicContact CB-CE1 4.24Å; L328-F376 HydrophobicContact CD1-CD1 4.17Å; L328-F376 HydrophobicContact CD1-CE1 3.84Å; L328-F376 HydrophobicContact CD1-CE2 4.22Å; L328-F376 HydrophobicContact CD1-CZ 3.87Å; L328-F376 HydrophobicContact CD2-CE1 4.22Å; L328-F376 HydrophobicContact CG-CE1 4.32Å; C359-F376 CarbonylContact C-O 3.52Å; C359-F376 WeakPolarHBondContact CA-O 3.42Å; V360-F376 HydrophobicContact CB-CB 4.37Å; V360-F376 PolarHBondContact N-O 2.95Å; V360-F376 PolarHBondContact O-N 3.45Å; F362-F376 HydrophobicContact CB-CE2 4.13Å; R374-F376 HydrophobicContact CB-CD2 4.35Å; R374-F376 HydrophobicContact CB-CE2 3.56Å; R374-F376 HydrophobicContact CB-CZ 4.01Å; F376-Y407 HydrophobicContact CD1-CD1 4.09Å; F376-Y407 HydrophobicContact CD1-CD2 4.46Å; F376-Y407 HydrophobicContact CD1-CG 4.01Å; F376-Y407 AromaticContact CE1-CD1 3.81Å; F376-Y407 HydrophobicContact CE1-CD1 3.81Å; F376-Y407 AromaticContact CE1-CD2 3.73Å; F376-Y407 HydrophobicContact CE1-CD2 3.73Å; F376-Y407 AromaticContact CE1-CE1 3.98Å; F376-Y407 HydrophobicContact CE1-CE1 3.98Å; F376-Y407 AromaticContact CE1-CE2 3.92Å; F376-Y407 HydrophobicContact CE1-CE2 3.92Å; F376-Y407 AromaticContact CE1-CG 3.68Å; F376-Y407 HydrophobicContact CE1-CG 3.68Å; F376-F412 HydrophobicContact CB-CD2 3.93Å; F376-F412 HydrophobicContact CB-CE2 3.45Å; F376-F412 VanDerWaalsContact CB-CE2 3.45Å; F376-F412 HydrophobicContact CB-CZ 4.37Å; F376-F412 HydrophobicContact CD1-CD2 4.14Å; F376-F412 HydrophobicContact CG-CD2 4.18Å; F376-F412 HydrophobicContact CG-CE2 4.11Å; F376-L417 HydrophobicContact CD1-CD2 4.17Å; F376-L417 HydrophobicContact CD2-CD1 4.28Å; F376-L417 HydrophobicContact CD2-CD2 4.09Å; F376-L417 HydrophobicContact CE1-CD2 3.94Å; F376-L417 HydrophobicContact CE2-CB 3.78Å; F376-L417 HydrophobicContact CE2-CD1 4.1Å; F376-L417 HydrophobicContact CE2-CD2 3.87Å; F376-L417 HydrophobicContact CE2-CG 4.11Å; F376-L417 HydrophobicContact CG-CD2 4.24Å; F376-L417 HydrophobicContact CZ-CB 3.75Å; F376-L417 HydrophobicContact CZ-CD2 3.79Å; F376-L417 HydrophobicContact CZ-CG 4.25Å
377L96.6Very high94.1Very high0 Ų042.1 Ų42.10%021%0.208CC..EExtended strand (participates in β ladder)trans-127.3110.6-177.5-70.2151.9000109.9V326 V327 L329 T346 C350 V356 C359 F379V326-L377 CarbonylContact C-O 3.57Å; V326-L377 WeakPolarHBondContact CA-O 3.47Å; V327-L377 HydrophobicContact CB-CB 4.4Å; V327-L377 PolarHBondContact N-O 2.88Å; V327-L377 PolarHBondContact O-N 3.21Å; L329-L377 HydrophobicContact CD1-CD1 3.62Å; L329-L377 HydrophobicContact CG-CD1 4.18Å; T346-L377 HydrophobicContact CG2-CD1 4.1Å; T346-L377 HydrophobicContact CG2-CD2 4.46Å; C350-L377 HydrophobicContact CB-CD1 4.31Å; C350-L377 HydrophobicContact CB-CD2 4.18Å; C350-L377 WeakPolarHBondContact SG-CD1 3.49Å; V356-L377 HydrophobicContact CG1-CD2 4.02Å; C359-L377 HydrophobicContact CB-CD2 4.33Å; L377-F379 HydrophobicContact CB-CE2 4.04Å
378E95.9Very high94.4Very high28 Ų2840.2 Ų40.213%0.13120%0.197CC..EExtended strand (participates in β ladder)trans-87.7117.8171.2-176176.5-163.400109.9V326 V357 K358 F412V326-E378 HydrophobicContact CG2-CB 4.34Å; V326-E378 HydrophobicContact CG2-CG 4.31Å; V357-E378 HydrophobicContact CB-CG 4.3Å; V357-E378 PolarHBondContact N-O 3.49Å; K358-E378 HydrophobicContact CB-CB 4.2Å; K358-E378 PolarHBondContact N-O 3.09Å; K358-E378 PolarHBondContact O-N 3.09Å; E378-F412 HydrophobicContact CB-CD1 4.43Å; E378-F412 HydrophobicContact CB-CE1 3.72Å; E378-F412 HydrophobicContact CB-CZ 4.33Å; E378-F412 HydrophobicContact CG-CE1 4.42Å
379F97.3Very high94.7Very high1 Ų136.5 Ų36.50%0.00417%0.173CC..EExtended strand (participates in β ladder)trans-92.7152.8173.2-71.4-90000111.8K325 V327 C350 V356 L377 R381 A385 A388K325-F379 PolarHBondContact O-N 3.32Å; V327-F379 HydrophobicContact CB-CE2 4.29Å; V327-F379 HydrophobicContact CG2-CD2 4.02Å; V327-F379 HydrophobicContact CG2-CE2 3.72Å; C350-F379 HydrophobicContact CB-CE1 4.38Å; C350-F379 HydrophobicContact CB-CZ 3.96Å; V356-F379 HydrophobicContact CG2-CD1 4.14Å; V356-F379 HydrophobicContact CG2-CE1 3.77Å; V356-F379 HydrophobicContact CG2-CZ 4.27Å; L377-F379 HydrophobicContact CB-CE2 4.04Å; F379-R381 PolarHBondContact O-N 3.18Å; F379-A385 HydrophobicContact CB-CB 4.41Å; F379-A385 HydrophobicContact CD2-CB 3.8Å; F379-A385 HydrophobicContact CE2-CB 4.47Å; F379-A385 HydrophobicContact CG-CB 4.34Å; F379-A388 HydrophobicContact CE2-CB 3.89Å; F379-A388 HydrophobicContact CZ-CB 3.64Å
380E96.2Very high94.9Very high75 Ų7536.7 Ų36.735%0.3518%0.176SC..SBendtrans-61.5-35.5174.2-168.4-167.4142.600111.8K325 K355 V357K325-E380 WeakPolarHBondContact CE-O 3.1Å; K325-E380 PolarHBondContact NZ-O 3.19Å; K355-E380 HydrophobicContact CB-CB 4.33Å; K355-E380 VanDerWaalsContact CD-OE2 3.24Å; K355-E380 WeakPolarHBondContact CD-OE2 3.31Å; K355-E380 PolarHBondContact O-N 2.98Å; V357-E380 HydrophobicContact CG2-CB 4.11Å
381R96.3Very high95.1Very high136 Ų13638.2 Ų38.251%0.51318%0.184SC..SBendtrans-126.3140.7-176.5-68.8-179.1173.468.78.8111.8F379 E383 S384 A385F379-R381 PolarHBondContact O-N 3.18Å; R381-E383 VanDerWaalsContact C-N 3.25Å; R381-E383 PolarHBondContact O-N 3.13Å; R381-S384 PolarHBondContact O-N 3.26Å; R381-S384 VanDerWaalsContact O-N 3.16Å; R381-A385 PolarHBondContact O-N 2.89Å
382V95.8Very high95.4Very high51 Ų5137.1 Ų37.131%0.30918%0.18SC..Hα-helixtrans-59.3-37.1175.1-178.50000111.3P323 K325 S384 A385 I386P323-V382 HydrophobicContact CB-CG1 3.93Å; K325-V382 HydrophobicContact CG-CG2 3.51Å; V382-S384 PolarHBondContact O-N 3Å; V382-A385 WeakPolarHBondContact O-CB 3.48Å; V382-A385 PolarHBondContact O-N 3.3Å; V382-A385 VanDerWaalsContact O-N 3.13Å; V382-I386 HydrophobicContact CG1-CD1 4.02Å; V382-I386 HydrophobicContact CG1-CG1 4.28Å; V382-I386 WeakPolarHBondContact O-CG1 3.42Å; V382-I386 PolarHBondContact O-N 2.87Å
383E95.3Very high95.5Very high129 Ų12939.5 Ų39.560%0.60319%0.192SC*.Hα-helixtrans-57.8-33.8177.7-63.2174.3-163.100113.7R381 K387R381-E383 VanDerWaalsContact C-N 3.25Å; R381-E383 PolarHBondContact O-N 3.13Å; E383-K387 WeakPolarHBondContact O-CG 3.26Å; E383-K387 PolarHBondContact O-N 2.94Å
384S96.8Very high95.5Very high13 Ų1341.4 Ų41.49%0.09121%0.213CC..Hα-helixtrans-74.3-41.2176.7-68.30000111.4Y353 G354 R381 V382 I386 K387 A388Y353-S384 VanDerWaalsContact O-CB 3.27Å; Y353-S384 WeakPolarHBondContact O-CB 3.42Å; Y353-S384 PolarHBondContact O-OG 2.96Å; G354-S384 WeakPolarHBondContact CA-OG 3.45Å; R381-S384 PolarHBondContact O-N 3.26Å; R381-S384 VanDerWaalsContact O-N 3.16Å; V382-S384 PolarHBondContact O-N 3Å; S384-I386 VanDerWaalsContact C-N 3.33Å; S384-I386 PolarHBondContact O-N 3.1Å; S384-K387 PolarHBondContact O-N 2.96Å; S384-A388 WeakPolarHBondContact O-CB 3.33Å; S384-A388 PolarHBondContact O-N 2.82Å
385A96.1Very high95.5Very high0 Ų045.8 Ų45.80%023%0.229CC..Hα-helixtrans-59.5-41.7172.100000112T324 V327 F379 R381 V382 K387 A388 V389 F406T324-A385 VanDerWaalsContact O-CB 3.23Å; T324-A385 WeakPolarHBondContact O-CB 3.5Å; V327-A385 HydrophobicContact CG2-CB 3.62Å; F379-A385 HydrophobicContact CB-CB 4.41Å; F379-A385 HydrophobicContact CD2-CB 3.8Å; F379-A385 HydrophobicContact CE2-CB 4.47Å; F379-A385 HydrophobicContact CG-CB 4.34Å; R381-A385 PolarHBondContact O-N 2.89Å; V382-A385 WeakPolarHBondContact O-CB 3.48Å; V382-A385 PolarHBondContact O-N 3.3Å; V382-A385 VanDerWaalsContact O-N 3.13Å; A385-K387 PolarHBondContact O-N 3.48Å; A385-A388 PolarHBondContact O-N 3.22Å; A385-V389 WeakPolarHBondContact O-CG2 3.44Å; A385-V389 PolarHBondContact O-N 2.6Å; A385-F406 HydrophobicContact CB-CE1 4.17Å
386I95.1Very high95.3Very high53 Ų5353.7 Ų53.727%0.27226%0.26SS..Hα-helixtrans-60.8-45.9175.7-64.3166.4000111.2L320 P323 V382 S384 A388 V389 V390 F406L320-I386 HydrophobicContact CD2-CG2 4.08Å; P323-I386 HydrophobicContact CB-CD1 3.81Å; P323-I386 HydrophobicContact CB-CG1 3.74Å; P323-I386 HydrophobicContact CG-CD1 4.36Å; V382-I386 HydrophobicContact CG1-CD1 4.02Å; V382-I386 HydrophobicContact CG1-CG1 4.28Å; V382-I386 WeakPolarHBondContact O-CG1 3.42Å; V382-I386 PolarHBondContact O-N 2.87Å; S384-I386 VanDerWaalsContact C-N 3.33Å; S384-I386 PolarHBondContact O-N 3.1Å; I386-A388 PolarHBondContact O-N 2.7Å; I386-V389 PolarHBondContact O-N 2.66Å; I386-V390 HydrophobicContact CG2-CG2 4.43Å; I386-V390 VanDerWaalsContact O-CG2 3.3Å; I386-V390 WeakPolarHBondContact O-CG2 3.18Å; I386-V390 PolarHBondContact O-N 2.73Å; I386-F406 HydrophobicContact CB-CZ 4.3Å; I386-F406 HydrophobicContact CG1-CE1 3.98Å; I386-F406 HydrophobicContact CG1-CZ 3.76Å
387K95.6Very high95.1Very high113 Ų11356.9 Ų56.949%0.49127%0.274SS..Hα-helixtrans-61.4-44177.2-70.3166.4-172169.70111.8Y353 E383 S384 A385 V390 D391Y353-K387 HydrophobicContact CD1-CB 4.16Å; E383-K387 WeakPolarHBondContact O-CG 3.26Å; E383-K387 PolarHBondContact O-N 2.94Å; S384-K387 PolarHBondContact O-N 2.96Å; A385-K387 PolarHBondContact O-N 3.48Å; K387-V390 PolarHBondContact O-N 3.46Å; K387-D391 WeakPolarHBondContact O-CB 3.38Å; K387-D391 PolarHBondContact O-N 2.89Å; K387-D391 VanDerWaalsContact O-N 3.13Å
388A96.1Very high94.7Very high0 Ų060.6 Ų60.60%031%0.313CS..Hα-helixtrans-61.7-48.5177.400000111.6V327 Y353 F379 S384 A385 I386 V390 D391 L392V327-A388 HydrophobicContact CG2-CB 4.47Å; Y353-A388 HydrophobicContact CD2-CB 3.53Å; Y353-A388 HydrophobicContact CE2-CB 3.99Å; Y353-A388 HydrophobicContact CG-CB 3.89Å; F379-A388 HydrophobicContact CE2-CB 3.89Å; F379-A388 HydrophobicContact CZ-CB 3.64Å; S384-A388 WeakPolarHBondContact O-CB 3.33Å; S384-A388 PolarHBondContact O-N 2.82Å; A385-A388 PolarHBondContact O-N 3.22Å; I386-A388 PolarHBondContact O-N 2.7Å; A388-V390 VanDerWaalsContact C-N 3.34Å; A388-V390 PolarHBondContact O-N 2.83Å; A388-D391 PolarHBondContact O-N 3.21Å; A388-L392 HydrophobicContact CB-CD1 4.19Å; A388-L392 WeakPolarHBondContact O-CB 3.37Å; A388-L392 WeakPolarHBondContact O-CG 3.47Å; A388-L392 PolarHBondContact O-N 3.24Å
389V95.3Very high94.6Very high0 Ų062.6 Ų62.60%034%0.34CS..Hα-helixtrans-59.3-42.9177.3169.40000111.9I319 V327 A385 I386 D391 N393 F406I319-V389 HydrophobicContact CG2-CG1 3.5Å; I319-V389 VanDerWaalsContact CG2-CG1 3.5Å; V327-V389 HydrophobicContact CB-CG2 4.29Å; V327-V389 HydrophobicContact CG1-CG2 3.68Å; V327-V389 HydrophobicContact CG2-CG2 3.75Å; A385-V389 WeakPolarHBondContact O-CG2 3.44Å; A385-V389 PolarHBondContact O-N 2.6Å; I386-V389 PolarHBondContact O-N 2.66Å; V389-D391 PolarHBondContact O-N 2.83Å; V389-N393 WeakPolarHBondContact O-CB 3.44Å; V389-N393 PolarHBondContact O-N 3.42Å; V389-F406 HydrophobicContact CB-CE1 4.36Å; V389-F406 HydrophobicContact CB-CE2 4.45Å; V389-F406 HydrophobicContact CB-CZ 4.04Å; V389-F406 HydrophobicContact CG1-CE2 4.17Å; V389-F406 HydrophobicContact CG1-CZ 4.24Å; V389-F406 HydrophobicContact CG2-CD1 4.1Å; V389-F406 HydrophobicContact CG2-CE1 3.81Å; V389-F406 HydrophobicContact CG2-CE2 4.34Å; V389-F406 HydrophobicContact CG2-CG 4.49Å; V389-F406 HydrophobicContact CG2-CZ 3.93Å
390V94.3Very high94.4Very high73 Ų7365.1 Ų65.144%0.44235%0.35SS..Hα-helixtrans-67.7-32.8-178.71710000112.9I386 K387 A388I386-V390 HydrophobicContact CG2-CG2 4.43Å; I386-V390 VanDerWaalsContact O-CG2 3.3Å; I386-V390 WeakPolarHBondContact O-CG2 3.18Å; I386-V390 PolarHBondContact O-N 2.73Å; K387-V390 PolarHBondContact O-N 3.46Å; A388-V390 VanDerWaalsContact C-N 3.34Å; A388-V390 PolarHBondContact O-N 2.83Å
391D94.3Very high94.3Very high85 Ų8564.3 Ų64.346%0.45535%0.35SS..Hα-helixtrans-94.3-26-176.8-165.867000113.7Y353 K387 A388 V389Y353-D391 HydrophobicContact CE1-CB 3.59Å; Y353-D391 WeakPolarHBondContact CE1-OD2 3.38Å; Y353-D391 PolarHBondContact OH-OD2 2.9Å; K387-D391 WeakPolarHBondContact O-CB 3.38Å; K387-D391 PolarHBondContact O-N 2.89Å; K387-D391 VanDerWaalsContact O-N 3.13Å; A388-D391 PolarHBondContact O-N 3.21Å; V389-D391 PolarHBondContact O-N 2.83Å
392L94.7Very high94.3Very high14 Ų1458.1 Ų58.17%0.07333%0.327CS..Hα-helixtrans-90.9-28.9178.7-61.7174.2000113.1L329 Y353 A388 G394 R395 A404L329-L392 HydrophobicContact CD1-CD1 3.97Å; L329-L392 HydrophobicContact CD2-CB 4.21Å; L329-L392 HydrophobicContact CD2-CD1 3.93Å; Y353-L392 HydrophobicContact CE2-CD1 4.07Å; Y353-L392 HydrophobicContact CE2-CD2 4.24Å; Y353-L392 HydrophobicContact CE2-CG 4.07Å; Y353-L392 WeakPolarHBondContact OH-CD2 3.49Å; A388-L392 HydrophobicContact CB-CD1 4.19Å; A388-L392 WeakPolarHBondContact O-CB 3.37Å; A388-L392 WeakPolarHBondContact O-CG 3.47Å; A388-L392 PolarHBondContact O-N 3.24Å; L392-G394 PolarHBondContact O-N 3.16Å; L392-R395 VanDerWaalsContact O-CB 3.29Å; L392-R395 WeakPolarHBondContact O-CB 3.16Å; L392-R395 PolarHBondContact O-N 3.28Å; L392-R395 VanDerWaalsContact O-N 3.08Å; L392-A404 HydrophobicContact CB-CB 4.19Å
393N94.4Very high94.2Very high50 Ų5059.5 Ų59.527%0.26733%0.329SS..THydrogen-bonded Turntrans-67.7121.1-179.9-169.645000111.5I319 V389 R395 A404I319-N393 VanDerWaalsContact CD1-ND2 3.32Å; I319-N393 WeakPolarHBondContact CD1-ND2 3.46Å; V389-N393 WeakPolarHBondContact O-CB 3.44Å; V389-N393 PolarHBondContact O-N 3.42Å; N393-R395 VanDerWaalsContact C-N 3.28Å; N393-A404 HydrophobicContact CB-CB 3.89Å; N393-A404 PolarHBondContact OD1-N 3.41Å
394G93.3Very high94.2Very high42 Ų4253.5 Ų53.543%0.43330%0.301SS..THydrogen-bonded Turntrans80.43.7-175.200000114.4L392 V402L392-G394 PolarHBondContact O-N 3.16Å; G394-V402 PolarHBondContact N-O 3.35Å
395R94.1Very high94Very high98 Ų9853.9 Ų53.937%0.3730%0.304SS..  trans-76.9153.9173.9-169168.1171.7-151.2-9.3110.5E349 L392 N393 V402E349-R395 IonicContact OE1-CZ 2.95Å; E349-R395 IonicContact OE1-NH1 2.6Å; E349-R395 PolarHBondContact OE1-NH1 3.47Å; E349-R395 IonicContact OE1-NH2 3.79Å; E349-R395 PolarHBondContact OE1-NH2 2.94Å; L392-R395 VanDerWaalsContact O-CB 3.29Å; L392-R395 WeakPolarHBondContact O-CB 3.16Å; L392-R395 PolarHBondContact O-N 3.28Å; L392-R395 VanDerWaalsContact O-N 3.08Å; N393-R395 VanDerWaalsContact C-N 3.28Å; R395-V402 WeakPolarHBondContact O-CG2 3.1Å; R395-V402 PolarHBondContact O-N 3.18Å
396Y92.8Very high94Very high166 Ų16654.6 Ų54.665%0.65131%0.307SS*.EExtended strand (participates in β ladder)trans-92135.9177.9-69.3-95.8000111.8R400 V401Y396-R400 CarbonylContact C-O 3.57Å; Y396-R400 VanDerWaalsContact CA-O 3.26Å; Y396-R400 WeakPolarHBondContact CA-O 3.41Å; Y396-V401 HydrophobicContact CD1-CG2 3.89Å; Y396-V401 HydrophobicContact CE1-CG2 3.42Å; Y396-V401 VanDerWaalsContact CE1-CG2 3.42Å
397F92.1Very high93.9Very high67 Ų6752.2 Ų52.229%0.29430%0.295SS..EExtended strand (participates in β ladder)trans-139.4128.9171.5-172.5-85.1000108.2M332 V333 L342 G399 R400 V402M332-F397 HydrophobicContact CB-CD1 4.35Å; M332-F397 HydrophobicContact CE-CD1 4.29Å; M332-F397 HydrophobicContact CE-CD2 3.88Å; M332-F397 HydrophobicContact CE-CE1 4.35Å; M332-F397 HydrophobicContact CE-CE2 3.95Å; M332-F397 HydrophobicContact CE-CG 4.06Å; M332-F397 HydrophobicContact CE-CZ 4.18Å; M332-F397 WeakPolarHBondContact O-CD1 3.47Å; V333-F397 HydrophobicContact CG1-CD1 4.48Å; V333-F397 HydrophobicContact CG1-CE1 3.98Å; L342-F397 HydrophobicContact CD1-CE1 4.18Å; L342-F397 HydrophobicContact CD1-CZ 3.96Å; F397-G399 PolarHBondContact O-N 3.14Å; F397-R400 PolarHBondContact N-O 2.89Å; F397-R400 WeakPolarHBondContact O-CA 3.4Å; F397-R400 WeakPolarHBondContact O-CB 3.5Å; F397-R400 PolarHBondContact O-N 2.72Å; F397-V402 HydrophobicContact CB-CG2 3.74Å
398G88.2Confident93.8Very high79 Ų7950.3 Ų50.381%0.81429%0.29SS*.THydrogen-bonded Turntrans56.518.8-177.700000115.8R400G398-R400 VanDerWaalsContact C-N 3.28Å; G398-R400 PolarHBondContact O-N 3.02Å
399G92Very high93.5Very high69 Ų6952 Ų5271%0.71130%0.298SS*.THydrogen-bonded Turntrans83-8.3-170.500000115.3F397F397-G399 PolarHBondContact O-N 3.14Å
400R93.3Very high93.3Very high55 Ų5557 Ų5721%0.20833%0.325CS..EExtended strand (participates in β ladder)trans-84157.8171.5-58.6172.9179.4-100.32.7110.6N331 M332 G334 E337 D369 Y396 F397 G398N331-R400 VanDerWaalsContact O-CB 3.31Å; N331-R400 WeakPolarHBondContact O-CB 3.31Å; M332-R400 WeakPolarHBondContact O-CD 3.33Å; G334-R400 VanDerWaalsContact CA-NH2 3.29Å; G334-R400 VanDerWaalsContact N-CZ 3.35Å; E337-R400 IonicContact OE1-NH2 3.66Å; E337-R400 IonicContact OE2-CZ 3.45Å; E337-R400 IonicContact OE2-NE 3.46Å; E337-R400 PolarHBondContact OE2-NE 3.06Å; E337-R400 IonicContact OE2-NH2 2.79Å; E337-R400 PolarHBondContact OE2-NH2 3.27Å; D369-R400 IonicContact OD2-CZ 3.22Å; D369-R400 VanDerWaalsContact OD2-CZ 3.22Å; D369-R400 IonicContact OD2-NH1 2.72Å; D369-R400 PolarHBondContact OD2-NH1 2.99Å; D369-R400 IonicContact OD2-NH2 2.81Å; D369-R400 PolarHBondContact OD2-NH2 2.9Å; Y396-R400 CarbonylContact C-O 3.57Å; Y396-R400 VanDerWaalsContact CA-O 3.26Å; Y396-R400 WeakPolarHBondContact CA-O 3.41Å; F397-R400 PolarHBondContact N-O 2.89Å; F397-R400 WeakPolarHBondContact O-CA 3.4Å; F397-R400 WeakPolarHBondContact O-CB 3.5Å; F397-R400 PolarHBondContact O-N 2.72Å; G398-R400 VanDerWaalsContact C-N 3.28Å; G398-R400 PolarHBondContact O-N 3.02Å
401V95Very high93.1Very high57 Ų5756.4 Ų56.435%0.34532%0.317SS..EExtended strand (participates in β ladder)trans-100.9115.7175.21800000109.3N331 Y396N331-V401 PolarHBondContact ND2-O 3.42Å; Y396-V401 HydrophobicContact CD1-CG2 3.89Å; Y396-V401 HydrophobicContact CE1-CG2 3.42Å; Y396-V401 VanDerWaalsContact CE1-CG2 3.42Å
402V95.6Very high93Very high7 Ų752.4 Ų52.44%0.04230%0.295CS..  trans-69.9129.4-178.3-178.60000110.5L329 M332 G394 R395 F397L329-V402 HydrophobicContact CB-CG1 4.27Å; L329-V402 HydrophobicContact CD2-CG1 4.23Å; M332-V402 HydrophobicContact CG-CB 4.27Å; M332-V402 HydrophobicContact CG-CG1 3.82Å; M332-V402 HydrophobicContact CG-CG2 3.51Å; M332-V402 HydrophobicContact SD-CG1 4.35Å; G394-V402 PolarHBondContact N-O 3.35Å; R395-V402 WeakPolarHBondContact O-CG2 3.1Å; R395-V402 PolarHBondContact O-N 3.18Å; F397-V402 HydrophobicContact CB-CG2 3.74Å
403K94.1Very high92.8Very high80 Ų8059.6 Ų59.635%0.34832%0.321SS..EExtended strand (participates in β ladder)trans-99.8113.9170.4-58.5171.9-1721680107.6R330 D370R330-K403 HydrophobicContact CB-CB 4.29Å; R330-K403 PolarHBondContact N-O 2.74Å; R330-K403 PolarHBondContact O-N 3.26Å; D370-K403 IonicContact OD2-NZ 2.6Å; D370-K403 PolarHBondContact OD2-NZ 3.47Å
404A95Very high92.7Very high2 Ų262.5 Ų62.52%0.01734%0.341CS..EExtended strand (participates in β ladder)trans-113.2132.8-179.500000111.6L328 L329 L392 N393L328-A404 WeakPolarHBondContact O-CA 3.19Å; L329-A404 HydrophobicContact CD2-CB 3.41Å; L329-A404 VanDerWaalsContact CD2-CB 3.41Å; L392-A404 HydrophobicContact CB-CB 4.19Å; N393-A404 HydrophobicContact CB-CB 3.89Å; N393-A404 PolarHBondContact OD1-N 3.41Å
405C93.5Very high92.4Very high21 Ų2165.5 Ų65.514%0.14235%0.346CS..EExtended strand (participates in β ladder)trans-145167.9-178.659.70000111.2V327 L328V327-C405 WeakPolarHBondContact CA-O 3.21Å; L328-C405 PolarHBondContact N-O 3.43Å; L328-C405 PolarHBondContact O-N 3.05Å
406F95.3Very high92.2Very high16 Ų1664.1 Ų64.17%0.0735%0.346CS..EExtended strand (participates in β ladder)trans-85.1144.8172-60.2-78.6000110.7I319 L320 P323 T324 V326 A385 I386 V389I319-F406 HydrophobicContact CG2-CD2 4.35Å; I319-F406 HydrophobicContact CG2-CE2 4.3Å; I319-F406 WeakPolarHBondContact O-CD2 3.43Å; I319-F406 WeakPolarHBondContact O-CE2 3.49Å; L320-F406 HydrophobicContact CD2-CE2 4.29Å; L320-F406 HydrophobicContact CD2-CZ 4.45Å; P323-F406 HydrophobicContact CB-CD1 4.46Å; P323-F406 HydrophobicContact CB-CE1 4.03Å; P323-F406 HydrophobicContact CB-CE2 4.12Å; P323-F406 HydrophobicContact CB-CZ 3.85Å; T324-F406 HydrophobicContact CG2-CB 4.4Å; V326-F406 WeakPolarHBondContact O-CA 3.28Å; A385-F406 HydrophobicContact CB-CE1 4.17Å; I386-F406 HydrophobicContact CB-CZ 4.3Å; I386-F406 HydrophobicContact CG1-CE1 3.98Å; I386-F406 HydrophobicContact CG1-CZ 3.76Å; V389-F406 HydrophobicContact CB-CE1 4.36Å; V389-F406 HydrophobicContact CB-CE2 4.45Å; V389-F406 HydrophobicContact CB-CZ 4.04Å; V389-F406 HydrophobicContact CG1-CE2 4.17Å; V389-F406 HydrophobicContact CG1-CZ 4.24Å; V389-F406 HydrophobicContact CG2-CD1 4.1Å; V389-F406 HydrophobicContact CG2-CE1 3.81Å; V389-F406 HydrophobicContact CG2-CE2 4.34Å; V389-F406 HydrophobicContact CG2-CG 4.49Å; V389-F406 HydrophobicContact CG2-CZ 3.93Å
407Y94.1Very high91.9Very high3 Ų356.6 Ų56.61%0.01232%0.317CS..EExtended strand (participates in β ladder)trans-113.1151.8175.8-159.5-102.9000112.1T324 V326 L328 F376 L409 K411 F412 D416 V421T324-Y407 VanDerWaalsContact CB-O 3.29Å; T324-Y407 WeakPolarHBondContact CB-O 3.46Å; T324-Y407 VanDerWaalsContact CG2-O 3.31Å; T324-Y407 WeakPolarHBondContact CG2-O 3.19Å; T324-Y407 PolarHBondContact OG1-O 3.07Å; V326-Y407 PolarHBondContact O-N 3.36Å; L328-Y407 HydrophobicContact CB-CD2 4.35Å; L328-Y407 HydrophobicContact CD2-CD2 3.89Å; L328-Y407 HydrophobicContact CD2-CE2 4.36Å; F376-Y407 HydrophobicContact CD1-CD1 4.09Å; F376-Y407 HydrophobicContact CD1-CD2 4.46Å; F376-Y407 HydrophobicContact CD1-CG 4.01Å; F376-Y407 AromaticContact CE1-CD1 3.81Å; F376-Y407 HydrophobicContact CE1-CD1 3.81Å; F376-Y407 AromaticContact CE1-CD2 3.73Å; F376-Y407 HydrophobicContact CE1-CD2 3.73Å; F376-Y407 AromaticContact CE1-CE1 3.98Å; F376-Y407 HydrophobicContact CE1-CE1 3.98Å; F376-Y407 AromaticContact CE1-CE2 3.92Å; F376-Y407 HydrophobicContact CE1-CE2 3.92Å; F376-Y407 AromaticContact CE1-CG 3.68Å; F376-Y407 HydrophobicContact CE1-CG 3.68Å; Y407-L409 PolarHBondContact O-N 2.63Å; Y407-K411 HydrophobicContact CE1-CB 3.77Å; Y407-F412 HydrophobicContact CD1-CB 4.07Å; Y407-F412 HydrophobicContact CE1-CB 4.45Å; Y407-D416 PolarHBondContact OH-O 3.29Å; Y407-V421 HydrophobicContact CD2-CG2 3.69Å; Y407-V421 HydrophobicContact CE2-CG2 3.5Å; Y407-V421 VanDerWaalsContact CE2-CG2 3.5Å
408N92.8Very high91.3Very high72 Ų7255.2 Ų55.239%0.38532%0.322SS..  trans-70.2125.3179-171.9-66.5000110.8D410 K411 F412N408-D410 VanDerWaalsContact C-N 3.35Å; N408-D410 PolarHBondContact O-N 2.81Å; N408-D410 PolarHBondContact OD1-N 2.72Å; N408-K411 HydrophobicContact CB-CB 4.22Å; N408-K411 HydrophobicContact CB-CD 4.18Å; N408-K411 HydrophobicContact CB-CG 4.16Å; N408-K411 PolarHBondContact O-N 2.78Å; N408-K411 PolarHBondContact OD1-N 2.79Å; N408-F412 PolarHBondContact O-N 2.89Å
409L90.1Very high90.7Very high35 Ų3555.3 Ų55.318%0.18330%0.301CS..Hα-helixtrans-67-32.8-174.4177.7133.6000113.1K325 V326 Y407 R413K325-L409 HydrophobicContact CB-CD1 3.92Å; K325-L409 HydrophobicContact CD-CD1 4.24Å; K325-L409 HydrophobicContact CG-CD1 4.3Å; V326-L409 HydrophobicContact CG2-CB 4.25Å; V326-L409 HydrophobicContact CG2-CD1 4.29Å; V326-L409 HydrophobicContact CG2-CG 4.45Å; Y407-L409 PolarHBondContact O-N 2.63Å; L409-R413 VanDerWaalsContact O-CG 3.27Å; L409-R413 WeakPolarHBondContact O-CG 3.41Å; L409-R413 PolarHBondContact O-N 2.98Å; L409-R413 VanDerWaalsContact O-N 3.13Å
410D90.8Very high89.6Confident105 Ų10558.9 Ų58.956%0.56130%0.299SS*.Hα-helixtrans-73.7-38179.2-60.1-43.7000111N408 R413 V414N408-D410 VanDerWaalsContact C-N 3.35Å; N408-D410 PolarHBondContact O-N 2.81Å; N408-D410 PolarHBondContact OD1-N 2.72Å; D410-R413 PolarHBondContact O-N 2.79Å; D410-V414 PolarHBondContact O-N 3.32Å
411K89.5Confident88.1Confident61 Ų6160.8 Ų60.827%0.26532%0.317SS..Hα-helixtrans-65-44.9174-65.4-173.8-178.8174.50112.2Y407 N408 R413 V414 L415 D416 E419Y407-K411 HydrophobicContact CE1-CB 3.77Å; N408-K411 HydrophobicContact CB-CB 4.22Å; N408-K411 HydrophobicContact CB-CD 4.18Å; N408-K411 HydrophobicContact CB-CG 4.16Å; N408-K411 PolarHBondContact O-N 2.78Å; N408-K411 PolarHBondContact OD1-N 2.79Å; K411-R413 VanDerWaalsContact C-N 3.26Å; K411-R413 PolarHBondContact O-N 3.46Å; K411-V414 VanDerWaalsContact O-CG2 3.29Å; K411-V414 WeakPolarHBondContact O-CG2 3.33Å; K411-V414 PolarHBondContact O-N 3.33Å; K411-L415 PolarHBondContact O-N 2.97Å; K411-L415 VanDerWaalsContact O-N 3.16Å; K411-D416 HydrophobicContact CB-CB 4.31Å; K411-D416 PolarHBondContact O-N 2.97Å; K411-E419 WeakPolarHBondContact CD-OE2 3.2Å; K411-E419 WeakPolarHBondContact CE-OE2 3.37Å; K411-E419 IonicContact NZ-OE1 2.61Å; K411-E419 PolarHBondContact NZ-OE1 3.28Å; K411-E419 IonicContact NZ-OE2 3.23Å; K411-E419 PolarHBondContact NZ-OE2 2.99Å
412F92.1Very high87.8Confident2 Ų261 Ų611%0.00932%0.316CS..Hα-helixtrans-56.2-39.8173.1-178.1-111.7000112.8V326 K358 V360 F376 E378 Y407 N408 L415 L417V326-F412 HydrophobicContact CG1-CB 4.23Å; V326-F412 HydrophobicContact CG1-CD1 4.23Å; V326-F412 HydrophobicContact CG1-CD2 3.98Å; V326-F412 HydrophobicContact CG1-CE2 4.42Å; V326-F412 HydrophobicContact CG1-CG 3.88Å; V326-F412 HydrophobicContact CG2-CB 4.13Å; V326-F412 HydrophobicContact CG2-CD1 3.83Å; V326-F412 HydrophobicContact CG2-CG 4.05Å; K358-F412 HydrophobicContact CB-CZ 4.45Å; K358-F412 HydrophobicContact CD-CE1 4.09Å; K358-F412 HydrophobicContact CD-CZ 3.95Å; K358-F412 HydrophobicContact CG-CZ 4.36Å; V360-F412 HydrophobicContact CB-CE2 4.15Å; V360-F412 HydrophobicContact CG2-CE2 3.83Å; V360-F412 HydrophobicContact CG2-CZ 3.8Å; F376-F412 HydrophobicContact CB-CD2 3.93Å; F376-F412 HydrophobicContact CB-CE2 3.45Å; F376-F412 VanDerWaalsContact CB-CE2 3.45Å; F376-F412 HydrophobicContact CB-CZ 4.37Å; F376-F412 HydrophobicContact CD1-CD2 4.14Å; F376-F412 HydrophobicContact CG-CD2 4.18Å; F376-F412 HydrophobicContact CG-CE2 4.11Å; E378-F412 HydrophobicContact CB-CD1 4.43Å; E378-F412 HydrophobicContact CB-CE1 3.72Å; E378-F412 HydrophobicContact CB-CZ 4.33Å; E378-F412 HydrophobicContact CG-CE1 4.42Å; Y407-F412 HydrophobicContact CD1-CB 4.07Å; Y407-F412 HydrophobicContact CE1-CB 4.45Å; N408-F412 PolarHBondContact O-N 2.89Å; F412-L415 PolarHBondContact O-N 2.84Å; F412-L417 HydrophobicContact CD2-CD2 3.84Å; F412-L417 HydrophobicContact CE2-CD2 4.45Å
413R90.8Very high87.3Confident164 Ų16463.8 Ų63.862%0.61933%0.33SS*.Hα-helixtrans-68.1-34.1179.2-78.8171.1170.2-168.9-4.9113.8L409 D410 K411 L415L409-R413 VanDerWaalsContact O-CG 3.27Å; L409-R413 WeakPolarHBondContact O-CG 3.41Å; L409-R413 PolarHBondContact O-N 2.98Å; L409-R413 VanDerWaalsContact O-N 3.13Å; D410-R413 PolarHBondContact O-N 2.79Å; K411-R413 VanDerWaalsContact C-N 3.26Å; K411-R413 PolarHBondContact O-N 3.46Å; R413-L415 VanDerWaalsContact C-N 3.28Å
414V92.3Very high87Confident111 Ų11162.9 Ų62.967%0.67333%0.329SS*.THydrogen-bonded Turntrans-86.93.6175.3-58.30000113.4D410 K411 D416D410-V414 PolarHBondContact O-N 3.32Å; K411-V414 VanDerWaalsContact O-CG2 3.29Å; K411-V414 WeakPolarHBondContact O-CG2 3.33Å; K411-V414 PolarHBondContact O-N 3.33Å; V414-D416 HydrophobicContact CG2-CB 3.97Å; V414-D416 PolarHBondContact O-N 3.35Å
415L87.7Confident86.5Confident106 Ų10666.5 Ų66.556%0.55535%0.347SS*.THydrogen-bonded Turntrans5927.1-175.4-54.5173.5000113.7K411 F412 R413 L417K411-L415 PolarHBondContact O-N 2.97Å; K411-L415 VanDerWaalsContact O-N 3.16Å; F412-L415 PolarHBondContact O-N 2.84Å; R413-L415 VanDerWaalsContact C-N 3.28Å; L415-L417 PolarHBondContact O-N 3.39Å
416D89.9Confident86.1Confident68 Ų6869.4 Ų69.436%0.36436%0.36SS..  trans-77.299.4161.3-179.112.5000107.3Y407 K411 V414Y407-D416 PolarHBondContact OH-O 3.29Å; K411-D416 HydrophobicContact CB-CB 4.31Å; K411-D416 PolarHBondContact O-N 2.97Å; V414-D416 HydrophobicContact CG2-CB 3.97Å; V414-D416 PolarHBondContact O-N 3.35Å
417L86.1Confident85.4Confident8 Ų872.9 Ų72.94%0.04238%0.38CS..  trans-115.9-1.7-174.6-57.2-178.4000112.5V360 F362 R374 F376 F412 L415V360-L417 HydrophobicContact CG1-CD1 3.92Å; F362-L417 HydrophobicContact CB-CB 4.37Å; F362-L417 HydrophobicContact CB-CD1 3.89Å; F362-L417 HydrophobicContact CD1-CB 3.59Å; F362-L417 HydrophobicContact CD1-CD1 4.48Å; F362-L417 HydrophobicContact CD2-CD1 4.27Å; F362-L417 HydrophobicContact CE1-CB 3.96Å; F362-L417 HydrophobicContact CG-CB 3.97Å; F362-L417 HydrophobicContact CG-CD1 3.98Å; R374-L417 PolarHBondContact NH1-O 3.05Å; F376-L417 HydrophobicContact CD1-CD2 4.17Å; F376-L417 HydrophobicContact CD2-CD1 4.28Å; F376-L417 HydrophobicContact CD2-CD2 4.09Å; F376-L417 HydrophobicContact CE1-CD2 3.94Å; F376-L417 HydrophobicContact CE2-CB 3.78Å; F376-L417 HydrophobicContact CE2-CD1 4.1Å; F376-L417 HydrophobicContact CE2-CD2 3.87Å; F376-L417 HydrophobicContact CE2-CG 4.11Å; F376-L417 HydrophobicContact CG-CD2 4.24Å; F376-L417 HydrophobicContact CZ-CB 3.75Å; F376-L417 HydrophobicContact CZ-CD2 3.79Å; F376-L417 HydrophobicContact CZ-CG 4.25Å; F412-L417 HydrophobicContact CD2-CD2 3.84Å; F412-L417 HydrophobicContact CE2-CD2 4.45Å; L415-L417 PolarHBondContact O-N 3.39Å
418G78.4Confident84.8Confident38 Ų3877.9 Ų77.939%0.39241%0.406SS..  trans-87.4-24.5-174.500000114.6R374R374-G418 PolarHBondContact NH1-O 3.37Å; R374-G418 PolarHBondContact NH2-O 3.19Å; R374-G418 VanDerWaalsContact NH2-O 3.09Å
419E76.2Confident84.2Confident82 Ų8278.4 Ų78.438%0.38341%0.407SS..SBendtrans-55.4139.6-175.4-171.8178.1-122.300113.1R374 K411 V421R374-E419 PolarHBondContact NH1-O 3.33Å; K411-E419 WeakPolarHBondContact CD-OE2 3.2Å; K411-E419 WeakPolarHBondContact CE-OE2 3.37Å; K411-E419 IonicContact NZ-OE1 2.61Å; K411-E419 PolarHBondContact NZ-OE1 3.28Å; K411-E419 IonicContact NZ-OE2 3.23Å; K411-E419 PolarHBondContact NZ-OE2 2.99Å; E419-V421 WeakPolarHBondContact O-CG2 3.43Å
420Q69.3Low83.7Confident143 Ų14382 Ų8267%0.66843%0.426SS*.  trans-82.2133.2179.8-148.1156.420.500110.9E371E371-Q420 PolarHBondContact OE2-NE2 3.41Å; E371-Q420 VanDerWaalsContact OE2-NE2 3.16Å
421V61.8Low83.1Confident96 Ų9679.9 Ų79.958%0.58241%0.414SS*.  trans-123.40-169.7-158.60000110L328 R330 Y407 E419L328-V421 HydrophobicContact CD2-CB 4.29Å; L328-V421 HydrophobicContact CD2-CG2 3.74Å; R330-V421 PolarHBondContact NH1-O 3.4Å; Y407-V421 HydrophobicContact CD2-CG2 3.69Å; Y407-V421 HydrophobicContact CE2-CG2 3.5Å; Y407-V421 VanDerWaalsContact CE2-CG2 3.5Å; E419-V421 WeakPolarHBondContact O-CG2 3.43Å

Retrieved 421 of 421 residues in 376.1 ms (Link to these results)