A0A087Y9F0_POEFO Loading...

Polypeptide N-acetylgalactosaminyltransferase

AlphaFold DB , UniProt , Accession A0A087Y9F0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 561 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M52.5Low61.2Low216 Ų216146.4 Ų146.4100%1.06471%0.71SS**  0-38.60-80.5177.2-91.100115.5R3 L4M1-R3 PolarHBondContact O-N 3.3Å; M1-L4 PolarHBondContact O-N 3.22Å
2K53.2Low62.8Low201 Ų201141.2 Ų141.287%0.87469%0.693SS**Hα-helixtrans-70.1-19.8-176.7-74.9-178.6176.8178.50117.4
3R51.4Low63.8Low226 Ų226134.8 Ų134.885%0.85368%0.677SS**Hα-helixtrans-85.2-20.9177.1-76.5-176.2179.4-175.5-0.2114.2M1M1-R3 PolarHBondContact O-N 3.3Å
4L51.3Low65.2Low134 Ų134130.8 Ų130.870%0.70266%0.663SS**Hα-helixtrans-79-39.1-179.3-151.475.9000111.5M1 R6 R7 L8M1-L4 PolarHBondContact O-N 3.22Å; L4-R6 VanDerWaalsContact C-N 3.31Å; L4-R6 PolarHBondContact O-N 2.79Å; L4-R7 PolarHBondContact O-N 3.15Å; L4-L8 PolarHBondContact O-N 2.89Å
5C57.3Low66.5Low95 Ų95130.3 Ų130.364%0.64266%0.662SS**Hα-helixtrans-63.5-31.2175.7-74.90000114A9C5-A9 WeakPolarHBondContact O-CB 3.48Å; C5-A9 PolarHBondContact O-N 3.48Å; C5-A9 VanDerWaalsContact O-N 3.11Å
6R58.4Low67.7Low204 Ų204128.4 Ų128.477%0.7766%0.658SS**Hα-helixtrans-74.8-31.9-177.1-139176.5-173.5-176.51.4112.5L4 V10L4-R6 VanDerWaalsContact C-N 3.31Å; L4-R6 PolarHBondContact O-N 2.79Å; R6-V10 WeakPolarHBondContact O-CG2 3.42Å; R6-V10 PolarHBondContact O-N 2.64Å
7R63Low68.5Low208 Ų208131.4 Ų131.479%0.78566%0.659SS**Hα-helixtrans-74.6-36.3175.2-71.4-174.2175.4-175.6-2.1112L4 A11L4-R7 PolarHBondContact O-N 3.15Å; R7-A11 PolarHBondContact O-N 3.26Å; R7-A11 VanDerWaalsContact O-N 3.1Å
8L66.9Low69.4Low120 Ų120128.8 Ų128.863%0.62865%0.647SS**Hα-helixtrans-65.6-42.6174.3-12391.4000112L4 V10 A11 V12L4-L8 PolarHBondContact O-N 2.89Å; L8-V10 VanDerWaalsContact C-N 3.34Å; L8-V10 PolarHBondContact O-N 3.38Å; L8-A11 PolarHBondContact O-N 2.69Å; L8-V12 WeakPolarHBondContact O-CG2 3.4Å; L8-V12 PolarHBondContact O-N 3.09Å
9A69.2Low70.2Confident61 Ų61124.2 Ų124.250%0.50464%0.636SS.*Hα-helixtrans-63.1-38.917900000112.8C5 A13C5-A9 WeakPolarHBondContact O-CB 3.48Å; C5-A9 PolarHBondContact O-N 3.48Å; C5-A9 VanDerWaalsContact O-N 3.11Å; A9-A13 WeakPolarHBondContact O-CB 3.45Å; A9-A13 PolarHBondContact O-N 3.27Å
10V73.7Confident70.7Confident94 Ų94120.4 Ų120.457%0.5762%0.624SS**Hα-helixtrans-69.2-40.9176174.50000111.1R6 L8 V12 A13 V14R6-V10 WeakPolarHBondContact O-CG2 3.42Å; R6-V10 PolarHBondContact O-N 2.64Å; L8-V10 VanDerWaalsContact C-N 3.34Å; L8-V10 PolarHBondContact O-N 3.38Å; V10-V12 PolarHBondContact O-N 3.38Å; V10-A13 PolarHBondContact O-N 2.96Å; V10-V14 HydrophobicContact CG1-CG2 4.48Å; V10-V14 WeakPolarHBondContact O-CG2 3.25Å; V10-V14 PolarHBondContact O-N 2.98Å
11A76.3Confident71Confident51 Ų51118.3 Ų118.342%0.42161%0.614SS.*Hα-helixtrans-62.6-42.1177.200000112.2R7 L8 V14 L15R7-A11 PolarHBondContact O-N 3.26Å; R7-A11 VanDerWaalsContact O-N 3.1Å; L8-A11 PolarHBondContact O-N 2.69Å; A11-V14 PolarHBondContact O-N 3.46Å; A11-L15 WeakPolarHBondContact O-CG 3.33Å; A11-L15 PolarHBondContact O-N 3.31Å; A11-L15 VanDerWaalsContact O-N 3.08Å
12V80.1Confident72.4Confident84 Ų84112.3 Ų112.351%0.50959%0.589SS.*Hα-helixtrans-65.6-42.1176174.30000111.2L8 V10 V14 L15 V16L8-V12 WeakPolarHBondContact O-CG2 3.4Å; L8-V12 PolarHBondContact O-N 3.09Å; V10-V12 PolarHBondContact O-N 3.38Å; V12-V14 VanDerWaalsContact C-N 3.33Å; V12-V14 PolarHBondContact O-N 3.01Å; V12-L15 PolarHBondContact O-N 3.47Å; V12-V16 HydrophobicContact CG1-CG2 4.4Å; V12-V16 WeakPolarHBondContact O-CG2 3.11Å; V12-V16 PolarHBondContact O-N 2.95Å
13A76.6Confident73.6Confident58 Ų58110 Ų11048%0.47958%0.576SS.*Hα-helixtrans-62.4-39.5177.900000112.5A9 V10 V16 W17A9-A13 WeakPolarHBondContact O-CB 3.45Å; A9-A13 PolarHBondContact O-N 3.27Å; V10-A13 PolarHBondContact O-N 2.96Å; A13-V16 PolarHBondContact O-N 2.83Å; A13-W17 WeakPolarHBondContact O-CB 3.21Å; A13-W17 PolarHBondContact O-N 3.22Å
14V82.9Confident74.5Confident79 Ų79104.7 Ų104.748%0.47956%0.563SS.*Hα-helixtrans-66.6-41.2176.4172.20000111.4V10 A11 V12 W17 L18V10-V14 HydrophobicContact CG1-CG2 4.48Å; V10-V14 WeakPolarHBondContact O-CG2 3.25Å; V10-V14 PolarHBondContact O-N 2.98Å; A11-V14 PolarHBondContact O-N 3.46Å; V12-V14 VanDerWaalsContact C-N 3.33Å; V12-V14 PolarHBondContact O-N 3.01Å; V14-W17 PolarHBondContact O-N 2.8Å; V14-L18 HydrophobicContact CG1-CD1 3.95Å; V14-L18 HydrophobicContact CG1-CG 4.47Å; V14-L18 WeakPolarHBondContact O-CB 3.25Å; V14-L18 WeakPolarHBondContact O-CG 3.37Å; V14-L18 PolarHBondContact O-N 3.26Å
15L85.5Confident75.3Confident124 Ų124102.9 Ų102.965%0.64955%0.554SS**Hα-helixtrans-65.8-39.2177.3-72.3172.1000112.4A11 V12 G19A11-L15 WeakPolarHBondContact O-CG 3.33Å; A11-L15 PolarHBondContact O-N 3.31Å; A11-L15 VanDerWaalsContact O-N 3.08Å; V12-L15 PolarHBondContact O-N 3.47Å; L15-G19 PolarHBondContact O-N 3.2Å
16V84.3Confident76Confident100 Ų100102 Ų10261%0.60655%0.546SS*.Hα-helixtrans-64.8-41.2174.8172.40000110.9V12 A13 G19 A20V12-V16 HydrophobicContact CG1-CG2 4.4Å; V12-V16 WeakPolarHBondContact O-CG2 3.11Å; V12-V16 PolarHBondContact O-N 2.95Å; A13-V16 PolarHBondContact O-N 2.83Å; V16-G19 PolarHBondContact O-N 2.86Å; V16-A20 PolarHBondContact O-N 2.87Å
17W81.8Confident76.3Confident178 Ų17896.2 Ų96.267%0.67453%0.529SS*.Hα-helixtrans-67-41.5178.9-161.982.6000112.4A13 V14 A20 L21A13-W17 WeakPolarHBondContact O-CB 3.21Å; A13-W17 PolarHBondContact O-N 3.22Å; V14-W17 PolarHBondContact O-N 2.8Å; W17-A20 PolarHBondContact O-N 3.43Å; W17-L21 HydrophobicContact CH2-CD1 4.15Å; W17-L21 HydrophobicContact CZ3-CD1 4.32Å; W17-L21 PolarHBondContact O-N 3.43Å
18L84.4Confident76Confident85 Ų8590.6 Ų90.645%0.44552%0.522SS..Hα-helixtrans-64.4-39.6173.9-73.3169.3000112V14 L21 V22V14-L18 HydrophobicContact CG1-CD1 3.95Å; V14-L18 HydrophobicContact CG1-CG 4.47Å; V14-L18 WeakPolarHBondContact O-CB 3.25Å; V14-L18 WeakPolarHBondContact O-CG 3.37Å; V14-L18 PolarHBondContact O-N 3.26Å; L18-L21 PolarHBondContact O-N 3.14Å; L18-V22 WeakPolarHBondContact O-CG2 3.26Å; L18-V22 PolarHBondContact O-N 3Å
19G85.9Confident75.3Confident42 Ų4295.2 Ų95.243%0.43353%0.531SS..Hα-helixtrans-61.8-42.7174.500000112.9L15 V16 V22 Y23L15-G19 PolarHBondContact O-N 3.2Å; V16-G19 PolarHBondContact O-N 2.86Å; G19-V22 PolarHBondContact O-N 2.75Å; G19-Y23 WeakPolarHBondContact O-CB 3.39Å; G19-Y23 PolarHBondContact O-N 3.28Å
20A79.1Confident74.1Confident48 Ų48101.7 Ų101.740%0.39754%0.543SS..Hα-helixtrans-65-38.6175.800000112.4V16 W17 Y23 L24V16-A20 PolarHBondContact O-N 2.87Å; W17-A20 PolarHBondContact O-N 3.43Å; A20-Y23 PolarHBondContact O-N 3.39Å; A20-L24 PolarHBondContact O-N 3.49Å
21L78.3Confident72.4Confident77 Ų77106.9 Ų106.940%0.40356%0.558SS.*Hα-helixtrans-65.2-43.7176.9-160.692.9000111.7W17 L18 L24 L25W17-L21 HydrophobicContact CH2-CD1 4.15Å; W17-L21 HydrophobicContact CZ3-CD1 4.32Å; W17-L21 PolarHBondContact O-N 3.43Å; L18-L21 PolarHBondContact O-N 3.14Å; L21-L24 PolarHBondContact O-N 3.16Å; L21-L25 WeakPolarHBondContact O-CG 3.26Å; L21-L25 PolarHBondContact O-N 3.13Å
22V80.6Confident70.4Confident89 Ų89112.3 Ų112.354%0.53958%0.579SS.*Hα-helixtrans-64.9-41.1176.1172.90000110.8L18 G19 L24 L25 V26L18-V22 WeakPolarHBondContact O-CG2 3.26Å; L18-V22 PolarHBondContact O-N 3Å; G19-V22 PolarHBondContact O-N 2.75Å; V22-L24 PolarHBondContact O-N 3.24Å; V22-L25 PolarHBondContact O-N 2.88Å; V22-V26 HydrophobicContact CG1-CG2 4.43Å; V22-V26 VanDerWaalsContact O-CG2 3.3Å; V22-V26 WeakPolarHBondContact O-CG2 3.33Å; V22-V26 PolarHBondContact O-N 3.42Å
23Y77.7Confident68.2Low154 Ų154113.6 Ų113.660%0.60459%0.589SS**Hα-helixtrans-62.1-42.1176.5-176.3-106.3000112.5G19 A20 V26 L27G19-Y23 WeakPolarHBondContact O-CB 3.39Å; G19-Y23 PolarHBondContact O-N 3.28Å; A20-Y23 PolarHBondContact O-N 3.39Å; Y23-V26 PolarHBondContact O-N 2.82Å; Y23-L27 HydrophobicContact CD1-CD1 3.78Å; Y23-L27 HydrophobicContact CE1-CD1 3.31Å; Y23-L27 HydrophobicContact CE1-CG 4.23Å; Y23-L27 PolarHBondContact O-N 2.88Å
24L70.7Confident66.2Low113 Ų113120.2 Ų120.259%0.59261%0.61SS**Hα-helixtrans-65.4-38.1175.3-80.5165000112.7A20 L21 V22 V26 L27 S28A20-L24 PolarHBondContact O-N 3.49Å; L21-L24 PolarHBondContact O-N 3.16Å; V22-L24 PolarHBondContact O-N 3.24Å; L24-V26 VanDerWaalsContact C-N 3.35Å; L24-L27 PolarHBondContact O-N 2.8Å; L24-S28 PolarHBondContact O-N 2.95Å
25L68.1Low63.8Low97 Ų97124.9 Ų124.951%0.50863%0.631SS.*Hα-helixtrans-69.1-31.6174.7-73.9169.4000112.9L21 V22 S28 R29L21-L25 WeakPolarHBondContact O-CG 3.26Å; L21-L25 PolarHBondContact O-N 3.13Å; V22-L25 PolarHBondContact O-N 2.88Å; L25-S28 PolarHBondContact O-OG 2.81Å; L25-R29 WeakPolarHBondContact O-CG 3.43Å; L25-R29 PolarHBondContact O-N 2.04Å
26V72.7Confident61.2Low77 Ų77122.4 Ų122.447%0.46764%0.636SS.*Hα-helixtrans-72.5-37173.9170.80000111V22 Y23 L24V22-V26 HydrophobicContact CG1-CG2 4.43Å; V22-V26 VanDerWaalsContact O-CG2 3.3Å; V22-V26 WeakPolarHBondContact O-CG2 3.33Å; V22-V26 PolarHBondContact O-N 3.42Å; Y23-V26 PolarHBondContact O-N 2.82Å; L24-V26 VanDerWaalsContact C-N 3.35Å
27L64.4Low58.6Low81 Ų81123.1 Ų123.142%0.42465%0.652SS.*Hα-helixtrans-69.1-38.5174.5-77.4171.8000112.6Y23 L24 R29 R30Y23-L27 HydrophobicContact CD1-CD1 3.78Å; Y23-L27 HydrophobicContact CE1-CD1 3.31Å; Y23-L27 HydrophobicContact CE1-CG 4.23Å; Y23-L27 PolarHBondContact O-N 2.88Å; L24-L27 PolarHBondContact O-N 2.8Å; L27-R29 PolarHBondContact O-N 2.83Å; L27-R30 PolarHBondContact O-N 3.26Å
28S57.8Low56.1Low91 Ų91118.2 Ų118.264%0.63666%0.657SS**Hα-helixtrans-71.2-17.7178.676.70000113.9L24 L25L24-S28 PolarHBondContact O-N 2.95Å; L25-S28 PolarHBondContact O-OG 2.81Å
29R51Low53.5Low216 Ų216119.7 Ų119.782%0.81568%0.682SS**THydrogen-bonded Turntrans-90.6-5.7177.1-77-172.2176.5-1620.5114.8L25 L27 K31L25-R29 WeakPolarHBondContact O-CG 3.43Å; L25-R29 PolarHBondContact O-N 2.04Å; L27-R29 PolarHBondContact O-N 2.83Å; R29-K31 PolarHBondContact O-N 2.83Å
30R44.1Very low50.7Low197 Ų197121.3 Ų121.374%0.74370%0.698SS**  trans-83.693.7174.8-75.7-174176.3-172.7-1110.3L27 L32L27-R30 PolarHBondContact O-N 3.26Å; R30-L32 PolarHBondContact O-N 3.33Å
31K38.3Very low48.3Very low204 Ų204124.1 Ų124.189%0.88772%0.721SS**PPolyproline II helixtrans-58.8127.5162.9-78.8-176.7171.8-173.50109.6R29R29-K31 PolarHBondContact O-N 2.83Å
32L34.9Very low46.1Very low165 Ų165125.5 Ų125.586%0.86474%0.744SS**PPolyproline II helixtrans-70.1143.6164.5-90.1133000109.6R30R30-L32 PolarHBondContact O-N 3.33Å
33P33.6Very low43.6Very low111 Ų111126.3 Ų126.372%0.72176%0.76SS**PPolyproline II helixtrans-79.8136.9-175.418.8-9.1000112.4
34E34.1Very low41.4Very low196 Ų196123.1 Ų123.192%0.91677%0.774SS**PPolyproline II helixtrans-64.8125.9165.3-72.4179.6159.900110.2
35L32.1Very low39.3Very low177 Ų177121.4 Ų121.493%0.92778%0.784SS**  trans-89.6103.3169.8-98.9122.1000110
36G31Very low37.4Very low73 Ų73120.6 Ų120.675%0.75380%0.799SS**  trans25.5112.3146.900000120.4G38G36-G38 PolarHBondContact O-N 2.87Å
37A30.3Very low35.4Very low114 Ų114126.2 Ų126.294%0.94282%0.82SS**  trans-67.6119.3151.700000110.1
38G28.6Very low34.1Very low76 Ų76129.1 Ų129.178%0.78484%0.841SS**  trans-111.3123168.300000110G36G36-G38 PolarHBondContact O-N 2.87Å
39A29.8Very low32.9Very low116 Ų116127.8 Ų127.896%0.95984%0.842SS**  trans-68140.4174.300000111.8
40G28.3Very low32.5Very low75 Ų75124 Ų12477%0.77384%0.838SS**  trans-177.799.8172.700000114.6
41A28.7Very low32.6Very low107 Ų107122 Ų12288%0.88484%0.842SS**  trans60.1124.814600000121.6
42A31.2Very low34.1Very low107 Ų107119.9 Ų119.988%0.88484%0.835SS**  trans-71.6138.5168.500000113.2
43A28.9Very low36.1Very low105 Ų105115.1 Ų115.187%0.86881%0.81SS**  trans-166.5142.2147.100000109.1
44G30.5Very low38.5Very low88 Ų88112.4 Ų112.491%0.90779%0.793SS**  trans-76162.9-160.100000117.5
45G26.2Very low40.6Very low77 Ų77108.9 Ų108.979%0.79478%0.781SS**  trans175.8121.2172.100000109.9
46G28.4Very low42.9Very low80 Ų80103.3 Ų103.383%0.82576%0.761SS**  trans-61141.1-165.100000116T48G46-T48 PolarHBondContact O-N 3.21Å
47E30.3Very low45.4Very low195 Ų195104.9 Ų104.991%0.91175%0.748SS**  trans-69.7105.4172.1-70.1177.4154.100110.9
48T37.4Very low48Very low141 Ų141100.1 Ų100.187%0.86571%0.706SS**  trans-100.879.7144.752.80000107.2G46 N50G46-T48 PolarHBondContact O-N 3.21Å; T48-N50 PolarHBondContact O-N 3.44Å; T48-N50 VanDerWaalsContact O-N 3.1Å
49G32.8Very low50.6Low64 Ų64102.4 Ų102.466%0.6670%0.696SS**  trans-67.7102.217700000110.7N51G49-N51 PolarHBondContact O-N 3.38Å
50N43.3Very low53.2Low137 Ų137102.3 Ų102.373%0.73368%0.68SS**  trans-76.780.3163.6-158.722.4000107.2T48 Q52T48-N50 PolarHBondContact O-N 3.44Å; T48-N50 VanDerWaalsContact O-N 3.1Å; N50-Q52 VanDerWaalsContact C-N 3.3Å; N50-Q52 PolarHBondContact O-N 3.46Å
51N46.5Very low55.9Low154 Ų154103 Ų10382%0.82466%0.664SS**  trans-65.391.2173.7-87.91.7000108.9G49 I53G49-N51 PolarHBondContact O-N 3.38Å; N51-I53 PolarHBondContact O-N 3.39Å
52Q68.4Low58.5Low160 Ų16098.8 Ų98.875%0.74863%0.626SS**  trans-70.5115.9167-76.3-177-14.900108.1N50 S54N50-Q52 VanDerWaalsContact C-N 3.3Å; N50-Q52 PolarHBondContact O-N 3.46Å; Q52-S54 PolarHBondContact O-N 2.73Å
53I78.6Confident61Low64 Ų64101.2 Ų101.233%0.32862%0.619SS.*  trans-59.1122.3171.4-55.9172.9000107.3N51 E57 W58N51-I53 PolarHBondContact O-N 3.39Å; I53-E57 HydrophobicContact CG2-CB 3.9Å; I53-W58 HydrophobicContact CD1-CE3 4.47Å; I53-W58 HydrophobicContact CG2-CB 4.2Å; I53-W58 HydrophobicContact CG2-CE3 4.32Å
54S82.6Confident63.6Low54 Ų5499.7 Ų99.738%0.37861%0.614SS.*  trans-70.1158.7174.965.20000111.6Q52 A56 E57 W58Q52-S54 PolarHBondContact O-N 2.73Å; S54-A56 PolarHBondContact O-N 2.65Å; S54-E57 WeakPolarHBondContact CB-OE2 3.45Å; S54-E57 PolarHBondContact N-OE2 3.16Å; S54-E57 PolarHBondContact O-N 3.22Å; S54-E57 WeakPolarHBondContact OG-CB 3.26Å; S54-E57 VanDerWaalsContact OG-CD 3.27Å; S54-E57 WeakPolarHBondContact OG-CG 3.33Å; S54-E57 PolarHBondContact OG-N 3.17Å; S54-E57 PolarHBondContact OG-OE2 3Å; S54-W58 WeakPolarHBondContact O-CB 3.21Å; S54-W58 PolarHBondContact O-N 3.29Å
55D78.8Confident66.5Low122 Ų12296.3 Ų96.365%0.65257%0.574SS**Hα-helixtrans-60.5-34.8178.7-69.3-25.8000112W58 E59D55-W58 WeakPolarHBondContact O-CB 3.42Å; D55-W58 PolarHBondContact O-N 3.42Å; D55-E59 WeakPolarHBondContact O-CG 3.46Å; D55-E59 PolarHBondContact O-N 3.48Å
56A80.4Confident69.8Low61 Ų6197.2 Ų97.250%0.50456%0.561SS.*Hα-helixtrans-67.9-45.4176.700000112.3S54 W58 E59 D60S54-A56 PolarHBondContact O-N 2.65Å; A56-W58 PolarHBondContact O-N 2.84Å; A56-E59 PolarHBondContact O-N 2.85Å; A56-D60 PolarHBondContact O-N 3.22Å
57E83.9Confident72.9Confident106 Ų10695.5 Ų95.550%0.49553%0.531SS..Hα-helixtrans-62.3-34.9174.5-71.8166.4142.100111.4I53 S54 M61I53-E57 HydrophobicContact CG2-CB 3.9Å; S54-E57 WeakPolarHBondContact CB-OE2 3.45Å; S54-E57 PolarHBondContact N-OE2 3.16Å; S54-E57 PolarHBondContact O-N 3.22Å; S54-E57 WeakPolarHBondContact OG-CB 3.26Å; S54-E57 VanDerWaalsContact OG-CD 3.27Å; S54-E57 WeakPolarHBondContact OG-CG 3.33Å; S54-E57 PolarHBondContact OG-N 3.17Å; S54-E57 PolarHBondContact OG-OE2 3Å; E57-M61 WeakPolarHBondContact O-CG 3.43Å; E57-M61 PolarHBondContact O-N 3.25Å; E57-M61 VanDerWaalsContact O-N 3.12Å
58W84.8Confident75.9Confident13 Ų1395.6 Ų95.65%0.04952%0.523CS..Hα-helixtrans-65.2-43.6175.7-175.1-106.5000112.3I53 S54 D55 A56 M61 L62 L144 V149 I152 P175 K176I53-W58 HydrophobicContact CD1-CE3 4.47Å; I53-W58 HydrophobicContact CG2-CB 4.2Å; I53-W58 HydrophobicContact CG2-CE3 4.32Å; S54-W58 WeakPolarHBondContact O-CB 3.21Å; S54-W58 PolarHBondContact O-N 3.29Å; D55-W58 WeakPolarHBondContact O-CB 3.42Å; D55-W58 PolarHBondContact O-N 3.42Å; A56-W58 PolarHBondContact O-N 2.84Å; W58-M61 PolarHBondContact O-N 3.09Å; W58-L62 WeakPolarHBondContact O-CG 3.47Å; W58-L62 PolarHBondContact O-N 3.02Å; W58-L144 HydrophobicContact CH2-CD2 3.69Å; W58-L144 HydrophobicContact CZ2-CB 4.18Å; W58-L144 HydrophobicContact CZ2-CD2 3.41Å; W58-L144 VanDerWaalsContact CZ2-CD2 3.41Å; W58-L144 HydrophobicContact CZ2-CG 4.37Å; W58-L144 PolarHBondContact NE1-O 2.96Å; W58-V149 HydrophobicContact CB-CG2 4.26Å; W58-V149 HydrophobicContact CD2-CG1 4.09Å; W58-V149 HydrophobicContact CD2-CG2 3.71Å; W58-V149 HydrophobicContact CE3-CG1 3.82Å; W58-V149 HydrophobicContact CE3-CG2 4.31Å; W58-V149 HydrophobicContact CG-CG2 3.67Å; W58-V149 HydrophobicContact CH2-CG1 4.43Å; W58-V149 HydrophobicContact CZ2-CG2 4.49Å; W58-V149 HydrophobicContact CZ3-CG1 4Å; W58-I152 HydrophobicContact CZ2-CD1 4.32Å; W58-P175 HydrophobicContact CE3-CB 4.06Å; W58-P175 HydrophobicContact CE3-CG 4.23Å; W58-P175 HydrophobicContact CH2-CB 3.81Å; W58-P175 HydrophobicContact CH2-CG 3.83Å; W58-P175 HydrophobicContact CZ2-CG 4.21Å; W58-P175 HydrophobicContact CZ3-CB 3.48Å; W58-P175 VanDerWaalsContact CZ3-CB 3.48Å; W58-P175 HydrophobicContact CZ3-CG 3.87Å; W58-K176 HydrophobicContact CH2-CB 4.48Å; W58-K176 HydrophobicContact CH2-CD 3.78Å; W58-K176 HydrophobicContact CH2-CG 3.92Å; W58-K176 HydrophobicContact CZ3-CD 3.93Å; W58-K176 HydrophobicContact CZ3-CG 3.93Å
59E83Confident78.5Confident125 Ų12592.2 Ų92.258%0.58451%0.506SS*.Hα-helixtrans-62.2-47.3175.7-74.6-179.9172.500111.6D55 A56 M61 L62 E63D55-E59 WeakPolarHBondContact O-CG 3.46Å; D55-E59 PolarHBondContact O-N 3.48Å; A56-E59 PolarHBondContact O-N 2.85Å; E59-M61 VanDerWaalsContact C-N 3.29Å; E59-M61 PolarHBondContact O-N 2.95Å; E59-L62 WeakPolarHBondContact O-CB 2.93Å; E59-L62 PolarHBondContact O-N 3.15Å; E59-E63 PolarHBondContact O-N 3.42Å
60D83.9Confident81.5Confident114 Ų11489.4 Ų89.461%0.6148%0.475SS*.Hα-helixtrans-57.8-40.7177.2-77.8-8.4000112.1A56 L62 E63 G64A56-D60 PolarHBondContact O-N 3.22Å; D60-L62 VanDerWaalsContact C-N 3.29Å; D60-L62 PolarHBondContact O-N 3.43Å; D60-E63 PolarHBondContact O-N 3.04Å; D60-G64 PolarHBondContact O-N 3.12Å; D60-G64 VanDerWaalsContact O-N 3.14Å
61M85Confident83.9Confident90 Ų9084.7 Ų84.744%0.44345%0.449SS..Hα-helixtrans-64.2-32.4176.1-71.9179.386.700112.9E57 W58 E59 P175E57-M61 WeakPolarHBondContact O-CG 3.43Å; E57-M61 PolarHBondContact O-N 3.25Å; E57-M61 VanDerWaalsContact O-N 3.12Å; W58-M61 PolarHBondContact O-N 3.09Å; E59-M61 VanDerWaalsContact C-N 3.29Å; E59-M61 PolarHBondContact O-N 2.95Å; M61-P175 HydrophobicContact CB-CB 4.25Å; M61-P175 HydrophobicContact CB-CG 4.18Å; M61-P175 HydrophobicContact CE-CB 3.74Å; M61-P175 HydrophobicContact SD-CB 4.16Å
62L83.9Confident86.1Confident17 Ų1780.8 Ų80.89%0.08943%0.429CS..Hα-helixtrans-75.4-36177.5-67.6170.4000111.8W58 E59 D60 G64 L144 P175W58-L62 WeakPolarHBondContact O-CG 3.47Å; W58-L62 PolarHBondContact O-N 3.02Å; E59-L62 WeakPolarHBondContact O-CB 2.93Å; E59-L62 PolarHBondContact O-N 3.15Å; D60-L62 VanDerWaalsContact C-N 3.29Å; D60-L62 PolarHBondContact O-N 3.43Å; L62-G64 VanDerWaalsContact C-N 3.33Å; L62-L144 HydrophobicContact CD2-CB 3.87Å; L62-L144 HydrophobicContact CD2-CD1 3.56Å; L62-L144 HydrophobicContact CD2-CG 4.24Å; L62-P175 HydrophobicContact CD2-CG 3.74Å; L62-P175 HydrophobicContact CG-CG 4.3Å
63E83.2Confident87Confident159 Ų15976.3 Ų76.374%0.74342%0.419SS*.Hα-helixtrans-70.3-28.2177.3-68.2-167.2172.600112.9E59 D60 F65E59-E63 PolarHBondContact O-N 3.42Å; D60-E63 PolarHBondContact O-N 3.04Å; E63-F65 PolarHBondContact O-N 3.3Å; E63-F65 VanDerWaalsContact O-N 3.12Å
64G83.4Confident87.4Confident72 Ų7278.3 Ų78.374%0.74242%0.422SS*.THydrogen-bonded Turntrans-66.5-7.8178.800000115.9D60 L62D60-G64 PolarHBondContact O-N 3.12Å; D60-G64 VanDerWaalsContact O-N 3.14Å; L62-G64 VanDerWaalsContact C-N 3.33Å
65F92.5Very high87.9Confident17 Ų1783.4 Ų83.48%0.07543%0.433CS..SBendtrans-84.2120.3179.4-178.9-103.5000112.2E63 E67 Y70 L137 L170 L171 K173 L174E63-F65 PolarHBondContact O-N 3.3Å; E63-F65 VanDerWaalsContact O-N 3.12Å; F65-E67 VanDerWaalsContact C-N 3.25Å; F65-E67 HydrophobicContact CD1-CB 4.06Å; F65-E67 HydrophobicContact CE1-CB 4.25Å; F65-E67 PolarHBondContact O-N 3.29Å; F65-Y70 HydrophobicContact CE1-CD1 4.34Å; F65-Y70 HydrophobicContact CE1-CG 4.23Å; F65-Y70 HydrophobicContact CZ-CD1 4.18Å; F65-Y70 HydrophobicContact CZ-CD2 4.14Å; F65-Y70 AromaticContact CZ-CG 3.76Å; F65-Y70 HydrophobicContact CZ-CG 3.76Å; F65-L137 HydrophobicContact CD1-CD1 4.24Å; F65-L137 HydrophobicContact CE1-CD1 3.67Å; F65-L137 HydrophobicContact CE1-CD2 4Å; F65-L137 HydrophobicContact CZ-CD1 4.29Å; F65-L170 WeakPolarHBondContact CE2-O 3.18Å; F65-L171 HydrophobicContact CE2-CD2 4.45Å; F65-L171 HydrophobicContact CZ-CD2 3.93Å; F65-K173 HydrophobicContact CD2-CB 4.07Å; F65-L174 HydrophobicContact CB-CD2 3.62Å; F65-L174 HydrophobicContact CB-CG 4.37Å; F65-L174 HydrophobicContact CD1-CD2 4.15Å; F65-L174 HydrophobicContact CD2-CD2 4.06Å; F65-L174 HydrophobicContact CD2-CG 3.87Å; F65-L174 HydrophobicContact CE2-CG 4.28Å; F65-L174 HydrophobicContact CG-CD2 3.68Å; F65-L174 HydrophobicContact CG-CG 4.01Å
66D93.7Very high88.6Confident97 Ų9780 Ų8052%0.51941%0.411SS..  trans-72.477.9174.8-174.6-3.7000112R68 S69 Y70D66-R68 VanDerWaalsContact C-N 3.3Å; D66-R68 PolarHBondContact O-N 2.81Å; D66-R68 PolarHBondContact OD1-N 2.82Å; D66-S69 PolarHBondContact O-N 3.32Å; D66-S69 WeakPolarHBondContact OD1-CB 3.38Å; D66-S69 PolarHBondContact OD1-N 3.1Å; D66-S69 WeakPolarHBondContact OD2-CB 3.4Å; D66-Y70 PolarHBondContact O-N 3.39Å; D66-Y70 VanDerWaalsContact O-N 3.14Å
67E94Very high89.3Confident43 Ų4383.8 Ų83.820%0.20142%0.416CS..Hα-helixtrans-60.7-39178.6172.6166.2169.900112.3F65 S69 Y70 L71 S98 L137 K141F65-E67 VanDerWaalsContact C-N 3.25Å; F65-E67 HydrophobicContact CD1-CB 4.06Å; F65-E67 HydrophobicContact CE1-CB 4.25Å; F65-E67 PolarHBondContact O-N 3.29Å; E67-S69 PolarHBondContact O-N 2.96Å; E67-Y70 PolarHBondContact O-N 2.91Å; E67-L71 HydrophobicContact CG-CD1 3.65Å; E67-L71 HydrophobicContact CG-CG 4.1Å; E67-L71 WeakPolarHBondContact O-CB 3.49Å; E67-L71 WeakPolarHBondContact O-CG 3.13Å; E67-L71 PolarHBondContact O-N 3.2Å; E67-S98 WeakPolarHBondContact OE1-CB 3.03Å; E67-S98 PolarHBondContact OE1-OG 2.9Å; E67-S98 PolarHBondContact OE2-OG 3.03Å; E67-L137 HydrophobicContact CB-CD2 4.37Å; E67-L137 HydrophobicContact CG-CD2 3.65Å; E67-K141 IonicContact OE2-NZ 3.8Å; E67-K141 PolarHBondContact OE2-NZ 2.96Å
68R92.9Very high89.7Confident197 Ų19784.3 Ų84.374%0.74343%0.429SS*.Hα-helixtrans-63.8-45.6-177.4-179.2175.4176171-0.2110.7D66 N72D66-R68 VanDerWaalsContact C-N 3.3Å; D66-R68 PolarHBondContact O-N 2.81Å; D66-R68 PolarHBondContact OD1-N 2.82Å; R68-N72 VanDerWaalsContact CG-ND2 3.29Å; R68-N72 WeakPolarHBondContact CG-ND2 3.39Å; R68-N72 VanDerWaalsContact O-CB 3.28Å; R68-N72 WeakPolarHBondContact O-CB 3.32Å; R68-N72 VanDerWaalsContact O-CG 3.22Å; R68-N72 PolarHBondContact O-N 2.89Å; R68-N72 PolarHBondContact O-ND2 2.84Å
69S93.4Very high90.1Very high71 Ų7187.5 Ų87.550%0.49747%0.466SS..Hα-helixtrans-64.4-43.8176-178.20000111.5D66 E67 L71 N72 A73D66-S69 PolarHBondContact O-N 3.32Å; D66-S69 WeakPolarHBondContact OD1-CB 3.38Å; D66-S69 PolarHBondContact OD1-N 3.1Å; D66-S69 WeakPolarHBondContact OD2-CB 3.4Å; E67-S69 PolarHBondContact O-N 2.96Å; S69-L71 PolarHBondContact O-N 2.85Å; S69-N72 PolarHBondContact O-N 2.82Å; S69-A73 PolarHBondContact O-N 3.4Å
70Y95.1Very high90.6Very high4 Ų486 Ų862%0.01646%0.462CS..Hα-helixtrans-58.5-49.6178179.5-103.2000112.2F65 D66 E67 R133 L137 D167 L170 L171F65-Y70 HydrophobicContact CE1-CD1 4.34Å; F65-Y70 HydrophobicContact CE1-CG 4.23Å; F65-Y70 HydrophobicContact CZ-CD1 4.18Å; F65-Y70 HydrophobicContact CZ-CD2 4.14Å; F65-Y70 AromaticContact CZ-CG 3.76Å; F65-Y70 HydrophobicContact CZ-CG 3.76Å; D66-Y70 PolarHBondContact O-N 3.39Å; D66-Y70 VanDerWaalsContact O-N 3.14Å; E67-Y70 PolarHBondContact O-N 2.91Å; Y70-R133 HydrophobicContact CD1-CB 4.19Å; Y70-R133 HydrophobicContact CE1-CB 3.54Å; Y70-R133 HydrophobicContact CE1-CG 3.93Å; Y70-R133 WeakPolarHBondContact CE1-O 3.49Å; Y70-R133 HydrophobicContact CE2-CG 4.27Å; Y70-R133 WeakPolarHBondContact O-CD 3.35Å; Y70-R133 PolarHBondContact O-NH1 2.86Å; Y70-L137 HydrophobicContact CD1-CB 4.37Å; Y70-L137 HydrophobicContact CD1-CD2 4.07Å; Y70-L137 HydrophobicContact CE1-CB 3.91Å; Y70-L137 HydrophobicContact CE1-CD2 4.45Å; Y70-D167 PolarHBondContact OH-O 3.37Å; Y70-L170 HydrophobicContact CD2-CB 3.91Å; Y70-L170 HydrophobicContact CD2-CD1 4Å; Y70-L170 HydrophobicContact CE2-CB 4.24Å; Y70-L171 HydrophobicContact CE1-CD2 4.04Å; Y70-L171 HydrophobicContact CE2-CD2 4.1Å; Y70-L171 HydrophobicContact CE2-CG 3.98Å; Y70-L171 WeakPolarHBondContact OH-CD1 3.37Å
71L94.2Very high91.2Very high38 Ų3884.5 Ų84.520%0.19945%0.454CS..Hα-helixtrans-70.3-38.2-178.2-65.3177.9000112.9E67 S69 A73 R74 R133 L137E67-L71 HydrophobicContact CG-CD1 3.65Å; E67-L71 HydrophobicContact CG-CG 4.1Å; E67-L71 WeakPolarHBondContact O-CB 3.49Å; E67-L71 WeakPolarHBondContact O-CG 3.13Å; E67-L71 PolarHBondContact O-N 3.2Å; S69-L71 PolarHBondContact O-N 2.85Å; L71-A73 VanDerWaalsContact C-N 3.27Å; L71-A73 PolarHBondContact O-N 3.5Å; L71-R74 PolarHBondContact O-N 2.81Å; L71-R133 HydrophobicContact CD2-CB 4.25Å; L71-L137 HydrophobicContact CD2-CD2 4.19Å; L71-L137 HydrophobicContact CG-CD2 4.37Å
72N91.8Very high91.7Very high72 Ų7281 Ų8139%0.38544%0.438SS..Hα-helixtrans-67.3-24-175.5-78.6-37.9000114.1R68 S69 R74 R75R68-N72 VanDerWaalsContact CG-ND2 3.29Å; R68-N72 WeakPolarHBondContact CG-ND2 3.39Å; R68-N72 VanDerWaalsContact O-CB 3.28Å; R68-N72 WeakPolarHBondContact O-CB 3.32Å; R68-N72 VanDerWaalsContact O-CG 3.22Å; R68-N72 PolarHBondContact O-N 2.89Å; R68-N72 PolarHBondContact O-ND2 2.84Å; S69-N72 PolarHBondContact O-N 2.82Å; N72-R74 PolarHBondContact O-N 2.88Å; N72-R74 VanDerWaalsContact O-N 3.17Å; N72-R75 PolarHBondContact O-N 2.85Å
73A88.3Confident92.3Very high66 Ų6682.9 Ų82.955%0.54545%0.445SS..THydrogen-bonded Turntrans-62.5-24.1-177.800000114.3S69 L71S69-A73 PolarHBondContact O-N 3.4Å; L71-A73 VanDerWaalsContact C-N 3.27Å; L71-A73 PolarHBondContact O-N 3.5Å
74R87.1Confident92.8Very high106 Ų10679.7 Ų79.740%0.444%0.436SS..THydrogen-bonded Turntrans-13427-177.3-81.4-86.3-179.4173.3-2.5112.1L71 N72 Q90 R133L71-R74 PolarHBondContact O-N 2.81Å; N72-R74 PolarHBondContact O-N 2.88Å; N72-R74 VanDerWaalsContact O-N 3.17Å; R74-Q90 PolarHBondContact O-NE2 3.42Å; R74-R133 HydrophobicContact CB-CG 4.44Å
75R91.6Very high93.2Very high161 Ų16180.8 Ų80.861%0.60842%0.424SS*.PPolyproline II helixtrans-60.6141.9-177.6-163.5177.7-179178.2-1.9111.6N72 E94N72-R75 PolarHBondContact O-N 2.85Å; R75-E94 WeakPolarHBondContact CA-OE1 3.49Å; R75-E94 VanDerWaalsContact CG-OE2 3.23Å; R75-E94 WeakPolarHBondContact CG-OE2 3.43Å
76W95.1Very high93.4Very high51 Ų5180.6 Ų80.619%0.19342%0.423CS..PPolyproline II helixtrans-57.6138.8170.5172.580.6000110.8P78 D80 Q90 R91 E94W76-P78 HydrophobicContact CH2-CB 4.42Å; W76-P78 HydrophobicContact CZ3-CG 4.32Å; W76-D80 PolarHBondContact NE1-O 3.5Å; W76-Q90 HydrophobicContact CB-CG 4.09Å; W76-R91 HydrophobicContact CD2-CB 3.91Å; W76-R91 HydrophobicContact CD2-CG 4.02Å; W76-R91 HydrophobicContact CE3-CB 4.08Å; W76-R91 HydrophobicContact CE3-CG 3.66Å; W76-R91 HydrophobicContact CG-CB 4.2Å; W76-R91 HydrophobicContact CH2-CG 4.29Å; W76-R91 HydrophobicContact CZ3-CG 3.8Å; W76-E94 WeakPolarHBondContact CB-OE2 3.33Å; W76-E94 PolarHBondContact N-OE1 3.36Å; W76-E94 PolarHBondContact N-OE2 3.32Å
77K93.9Very high93.5Very high140 Ų14076.1 Ų76.161%0.60940%0.399SS*.PPolyproline II helixtrans-103.8137.5-179.8-60.3179.2-178.5178.30110.7G79 D80K77-G79 PolarHBondContact O-N 3.08Å; K77-D80 PolarHBondContact O-N 2.91Å; K77-D80 VanDerWaalsContact O-N 3.12Å
78P93.3Very high93.7Very high118 Ų11874 Ų7477%0.76639%0.39SS*.THydrogen-bonded Turntrans-54.1127172.5-2534.3000111.6W76W76-P78 HydrophobicContact CH2-CB 4.42Å; W76-P78 HydrophobicContact CZ3-CG 4.32Å
79G92.1Very high93.9Very high80 Ų8065.1 Ų65.183%0.82536%0.357SS*.THydrogen-bonded Turntrans103.8-21.8-177.800000114.5K77K77-G79 PolarHBondContact O-N 3.08Å
80D94.8Very high94.1Very high93 Ų9362.2 Ų62.250%0.49734%0.335SS..SBendtrans-79.5146.4175.6-67.7-15.4000111W76 K77 P82W76-D80 PolarHBondContact NE1-O 3.5Å; K77-D80 PolarHBondContact O-N 2.91Å; K77-D80 VanDerWaalsContact O-N 3.12Å; D80-P82 WeakPolarHBondContact O-CD 3.39Å
81D95.6Very high94.2Very high83 Ų8367.4 Ų67.444%0.44436%0.355SS..  trans-67.1117169.1168.125.7000110.1Y83 T84D81-Y83 PolarHBondContact O-N 3.31Å; D81-Y83 VanDerWaalsContact O-N 3.09Å; D81-Y83 WeakPolarHBondContact OD1-CD2 3.47Å; D81-Y83 PolarHBondContact OD1-N 3.15Å; D81-T84 PolarHBondContact O-N 2.94Å; D81-T84 PolarHBondContact OD2-N 2.78Å; D81-T84 PolarHBondContact OD2-OG1 2.77Å
82P96.1Very high94.3Very high17 Ų1767 Ų6711%0.1135%0.352CS..THydrogen-bonded Turntrans-67.2-10.5-176.628.6-35.6000114.3D80 N89 Q90 R91D80-P82 WeakPolarHBondContact O-CD 3.39Å; P82-N89 WeakPolarHBondContact CB-OD1 3.45Å; P82-Q90 WeakPolarHBondContact O-CB 3.4Å; P82-Q90 PolarHBondContact O-N 3.27Å; P82-R91 HydrophobicContact CB-CB 4.03Å
83Y96.3Very high94.6Very high56 Ų5663.5 Ų63.522%0.2233%0.333CS..THydrogen-bonded Turntrans-97.5-16.2-179.3-63.4-92000114.2D81 L85 A87 N89 M242 D243D81-Y83 PolarHBondContact O-N 3.31Å; D81-Y83 VanDerWaalsContact O-N 3.09Å; D81-Y83 WeakPolarHBondContact OD1-CD2 3.47Å; D81-Y83 PolarHBondContact OD1-N 3.15Å; Y83-L85 PolarHBondContact O-N 3.4Å; Y83-A87 VanDerWaalsContact O-CA 3.3Å; Y83-A87 WeakPolarHBondContact O-CA 3.48Å; Y83-A87 PolarHBondContact O-N 3.17Å; Y83-N89 HydrophobicContact CE1-CB 3.74Å; Y83-N89 HydrophobicContact CE2-CB 4.28Å; Y83-N89 PolarHBondContact OH-ND2 3.45Å; Y83-M242 HydrophobicContact CD1-CE 4.1Å; Y83-M242 HydrophobicContact CE1-CE 4.11Å; Y83-D243 VanDerWaalsContact CE1-OD1 3.25Å; Y83-D243 WeakPolarHBondContact CE1-OD1 3.35Å; Y83-D243 WeakPolarHBondContact OH-CA 3.16Å; Y83-D243 PolarHBondContact OH-OD1 3.13Å; Y83-D243 VanDerWaalsContact OH-OD1 3.05Å
84T93.7Very high95Very high92 Ų9262.6 Ų62.656%0.56432%0.318SS*.THydrogen-bonded Turntrans-60.6-42.6-168.3-79.80000112.9D81D81-T84 PolarHBondContact O-N 2.94Å; D81-T84 PolarHBondContact OD2-N 2.78Å; D81-T84 PolarHBondContact OD2-OG1 2.77Å
85L92.6Very high95.4Very high94 Ų9466.7 Ų66.749%0.49233%0.333SS..THydrogen-bonded Turntrans-80.7-35.7-175.2-67.4178000114.2Y83 P349Y83-L85 PolarHBondContact O-N 3.4Å; L85-P349 WeakPolarHBondContact O-CB 3.23Å
86Y95.3Very high95.6Very high14 Ų1460.2 Ų60.26%0.05531%0.311CS..THydrogen-bonded Turntrans-124.9-3-166.1-50.5-69.2000114.2F88 Q90 N130 A132 R345Y86-F88 HydrophobicContact CG-CE1 4.43Å; Y86-F88 HydrophobicContact CG-CE2 4.42Å; Y86-F88 HydrophobicContact CG-CZ 4.04Å; Y86-F88 VanDerWaalsContact O-CD1 3.3Å; Y86-F88 WeakPolarHBondContact O-CD1 3.28Å; Y86-F88 PolarHBondContact O-N 3.01Å; Y86-Q90 HydrophobicContact CD2-CB 4.1Å; Y86-Q90 HydrophobicContact CD2-CG 4.15Å; Y86-Q90 HydrophobicContact CE2-CB 4.44Å; Y86-Q90 VanDerWaalsContact CE2-CD 3.47Å; Y86-Q90 HydrophobicContact CE2-CG 4.03Å; Y86-N130 WeakPolarHBondContact CD1-O 3.13Å; Y86-N130 VanDerWaalsContact CE1-O 3.27Å; Y86-N130 WeakPolarHBondContact CE1-O 3.25Å; Y86-A132 HydrophobicContact CD1-CB 3.99Å; Y86-A132 HydrophobicContact CD2-CB 3.83Å; Y86-A132 HydrophobicContact CE1-CB 3.95Å; Y86-A132 HydrophobicContact CE2-CB 3.79Å; Y86-A132 HydrophobicContact CG-CB 3.92Å; Y86-R345 WeakPolarHBondContact O-CD 3.43Å; Y86-R345 PolarHBondContact O-NH1 2.95Å
87A96.1Very high95.7Very high2 Ų261.3 Ų61.32%0.01732%0.324CS..SBendtrans57.426.2-177.200000114.3Y83 M242 K347 P349Y83-A87 VanDerWaalsContact O-CA 3.3Å; Y83-A87 WeakPolarHBondContact O-CA 3.48Å; Y83-A87 PolarHBondContact O-N 3.17Å; A87-M242 WeakPolarHBondContact O-CE 3.44Å; A87-K347 HydrophobicContact CB-CD 4.4Å; A87-K347 HydrophobicContact CB-CG 3.59Å; A87-K347 WeakPolarHBondContact CB-O 3.07Å; A87-P349 HydrophobicContact CB-CB 4.14Å
88F97.6Very high95.7Very high0 Ų054.8 Ų54.80%030%0.296CS..SBendtrans-147.3167.3166.361-111.1000108.1Y86 Q90 E131 A132 T135 M242 F245 V343 R345Y86-F88 HydrophobicContact CG-CE1 4.43Å; Y86-F88 HydrophobicContact CG-CE2 4.42Å; Y86-F88 HydrophobicContact CG-CZ 4.04Å; Y86-F88 VanDerWaalsContact O-CD1 3.3Å; Y86-F88 WeakPolarHBondContact O-CD1 3.28Å; Y86-F88 PolarHBondContact O-N 3.01Å; F88-Q90 PolarHBondContact O-N 2.8Å; F88-E131 WeakPolarHBondContact CE1-OE1 3.3Å; F88-A132 HydrophobicContact CE2-CB 4.08Å; F88-A132 HydrophobicContact CZ-CB 3.65Å; F88-T135 HydrophobicContact CE1-CG2 4.28Å; F88-T135 HydrophobicContact CE2-CG2 3.99Å; F88-T135 HydrophobicContact CZ-CG2 3.64Å; F88-M242 HydrophobicContact CB-CB 3.88Å; F88-F245 HydrophobicContact CB-CE2 4.47Å; F88-F245 AromaticContact CD2-CE2 3.79Å; F88-F245 HydrophobicContact CD2-CE2 3.79Å; F88-F245 AromaticContact CD2-CZ 3.47Å; F88-F245 HydrophobicContact CD2-CZ 3.47Å; F88-F245 VanDerWaalsContact CD2-CZ 3.47Å; F88-F245 HydrophobicContact CE2-CE2 4.47Å; F88-F245 AromaticContact CE2-CZ 3.82Å; F88-F245 HydrophobicContact CE2-CZ 3.82Å; F88-F245 HydrophobicContact CG-CE2 4.41Å; F88-F245 HydrophobicContact CG-CZ 4.08Å; F88-V343 HydrophobicContact CB-CG1 3.95Å; F88-V343 HydrophobicContact CD1-CG1 4.02Å; F88-V343 HydrophobicContact CG-CG1 4.14Å; F88-R345 HydrophobicContact CD1-CG 4.48Å; F88-R345 VanDerWaalsContact CE1-CZ 3.43Å
89N97.7Very high95.8Very high10 Ų1053.3 Ų53.35%0.05328%0.282CS..  trans-73.193.8-176.2-164.8-26.5000112.6P82 Y83 R91 E92 S93 M242 D243 F245P82-N89 WeakPolarHBondContact CB-OD1 3.45Å; Y83-N89 HydrophobicContact CE1-CB 3.74Å; Y83-N89 HydrophobicContact CE2-CB 4.28Å; Y83-N89 PolarHBondContact OH-ND2 3.45Å; N89-R91 VanDerWaalsContact C-N 3.26Å; N89-R91 PolarHBondContact O-N 3.3Å; N89-R91 WeakPolarHBondContact OD1-CB 3.31Å; N89-R91 PolarHBondContact OD1-N 3.38Å; N89-E92 HydrophobicContact CB-CB 4.29Å; N89-E92 HydrophobicContact CB-CG 4.33Å; N89-E92 VanDerWaalsContact ND2-CG 3.3Å; N89-E92 WeakPolarHBondContact ND2-CG 2.98Å; N89-E92 PolarHBondContact O-N 2.76Å; N89-E92 PolarHBondContact OD1-N 3.37Å; N89-S93 PolarHBondContact O-N 2.95Å; N89-S93 VanDerWaalsContact O-N 3.12Å; N89-M242 WeakPolarHBondContact CB-O 3.38Å; N89-M242 PolarHBondContact N-O 3.24Å; N89-D243 WeakPolarHBondContact CB-O 3.46Å; N89-D243 PolarHBondContact ND2-O 2.97Å; N89-F245 HydrophobicContact CB-CE2 4.5Å; N89-F245 VanDerWaalsContact O-CE2 3.23Å; N89-F245 WeakPolarHBondContact O-CE2 3.24Å
90Q97.2Very high96Very high9 Ų951.2 Ų51.24%0.04225%0.249CC..Hα-helixtrans-56.9-40.6178.8-176.3-176.60.800112.3R74 W76 P82 Y86 F88 E92 S93 E94R74-Q90 PolarHBondContact O-NE2 3.42Å; W76-Q90 HydrophobicContact CB-CG 4.09Å; P82-Q90 WeakPolarHBondContact O-CB 3.4Å; P82-Q90 PolarHBondContact O-N 3.27Å; Y86-Q90 HydrophobicContact CD2-CB 4.1Å; Y86-Q90 HydrophobicContact CD2-CG 4.15Å; Y86-Q90 HydrophobicContact CE2-CB 4.44Å; Y86-Q90 VanDerWaalsContact CE2-CD 3.47Å; Y86-Q90 HydrophobicContact CE2-CG 4.03Å; F88-Q90 PolarHBondContact O-N 2.8Å; Q90-E92 PolarHBondContact O-N 3.16Å; Q90-S93 VanDerWaalsContact O-CB 3.31Å; Q90-S93 WeakPolarHBondContact O-CB 3.28Å; Q90-S93 PolarHBondContact O-N 3.18Å; Q90-E94 HydrophobicContact CG-CG 4.28Å; Q90-E94 WeakPolarHBondContact CG-OE1 3.49Å; Q90-E94 PolarHBondContact NE2-OE1 3.05Å; Q90-E94 WeakPolarHBondContact O-CG 3.49Å; Q90-E94 PolarHBondContact O-N 2.84Å
91R96.9Very high96.1Very high114 Ų11451.4 Ų51.443%0.4326%0.263SS..Hα-helixtrans-60.6-45.3-177.7-174.8-17275-165.41.2111.6W76 P82 N89 E94 R95W76-R91 HydrophobicContact CD2-CB 3.91Å; W76-R91 HydrophobicContact CD2-CG 4.02Å; W76-R91 HydrophobicContact CE3-CB 4.08Å; W76-R91 HydrophobicContact CE3-CG 3.66Å; W76-R91 HydrophobicContact CG-CB 4.2Å; W76-R91 HydrophobicContact CH2-CG 4.29Å; W76-R91 HydrophobicContact CZ3-CG 3.8Å; P82-R91 HydrophobicContact CB-CB 4.03Å; N89-R91 VanDerWaalsContact C-N 3.26Å; N89-R91 PolarHBondContact O-N 3.3Å; N89-R91 WeakPolarHBondContact OD1-CB 3.31Å; N89-R91 PolarHBondContact OD1-N 3.38Å; R91-E94 PolarHBondContact O-N 3.42Å; R91-R95 PolarHBondContact O-N 3.32Å; R91-R95 VanDerWaalsContact O-N 3.13Å
92E97.6Very high96.1Very high28 Ų2849 Ų4913%0.13125%0.25CS..Hα-helixtrans-70.1-37.1177.7-62.9-52.7137.900111.7N89 Q90 E94 R95 I96 D243 F245N89-E92 HydrophobicContact CB-CB 4.29Å; N89-E92 HydrophobicContact CB-CG 4.33Å; N89-E92 VanDerWaalsContact ND2-CG 3.3Å; N89-E92 WeakPolarHBondContact ND2-CG 2.98Å; N89-E92 PolarHBondContact O-N 2.76Å; N89-E92 PolarHBondContact OD1-N 3.37Å; Q90-E92 PolarHBondContact O-N 3.16Å; E92-E94 VanDerWaalsContact C-N 3.3Å; E92-E94 PolarHBondContact O-N 3.29Å; E92-R95 PolarHBondContact O-N 2.97Å; E92-R95 IonicContact OE2-CZ 3.04Å; E92-R95 IonicContact OE2-NE 3.36Å; E92-R95 PolarHBondContact OE2-NE 3.04Å; E92-R95 IonicContact OE2-NH2 2.84Å; E92-I96 WeakPolarHBondContact O-CD1 3.4Å; E92-I96 WeakPolarHBondContact O-CG1 3.42Å; E92-I96 PolarHBondContact O-N 3.32Å; E92-D243 WeakPolarHBondContact CG-O 3.35Å; E92-F245 HydrophobicContact CB-CD2 4.13Å
93S97.8Very high96.1Very high0 Ų058 Ų580%028%0.282CS..Hα-helixtrans-56.2-42.7173.3-174.90000113.1N89 Q90 S134 R138N89-S93 PolarHBondContact O-N 2.95Å; N89-S93 VanDerWaalsContact O-N 3.12Å; Q90-S93 VanDerWaalsContact O-CB 3.31Å; Q90-S93 WeakPolarHBondContact O-CB 3.28Å; Q90-S93 PolarHBondContact O-N 3.18Å; S93-S134 WeakPolarHBondContact OG-CB 3.46Å; S93-S134 PolarHBondContact OG-OG 2.96Å; S93-R138 PolarHBondContact O-NH1 2.88Å; S93-R138 PolarHBondContact O-NH2 3.22Å; S93-R138 PolarHBondContact OG-NH2 2.94Å
94E96.4Very high96.1Very high46 Ų4658.7 Ų58.722%0.21529%0.289CS..Hα-helixtrans-78.6-20.9-178.6-71.9178.2179.600113.5R75 W76 Q90 R91 E92 I96R75-E94 WeakPolarHBondContact CA-OE1 3.49Å; R75-E94 VanDerWaalsContact CG-OE2 3.23Å; R75-E94 WeakPolarHBondContact CG-OE2 3.43Å; W76-E94 WeakPolarHBondContact CB-OE2 3.33Å; W76-E94 PolarHBondContact N-OE1 3.36Å; W76-E94 PolarHBondContact N-OE2 3.32Å; Q90-E94 HydrophobicContact CG-CG 4.28Å; Q90-E94 WeakPolarHBondContact CG-OE1 3.49Å; Q90-E94 PolarHBondContact NE2-OE1 3.05Å; Q90-E94 WeakPolarHBondContact O-CG 3.49Å; Q90-E94 PolarHBondContact O-N 2.84Å; R91-E94 PolarHBondContact O-N 3.42Å; E92-E94 VanDerWaalsContact C-N 3.3Å; E92-E94 PolarHBondContact O-N 3.29Å; E94-I96 VanDerWaalsContact C-N 3.26Å
95R95.8Very high96.3Very high192 Ų19255.1 Ų55.173%0.72527%0.268SS*.Hα-helixtrans-72.4-23.9173.6-168173.179.5100.71.4112.1R91 E92R91-R95 PolarHBondContact O-N 3.32Å; R91-R95 VanDerWaalsContact O-N 3.13Å; E92-R95 PolarHBondContact O-N 2.97Å; E92-R95 IonicContact OE2-CZ 3.04Å; E92-R95 IonicContact OE2-NE 3.36Å; E92-R95 PolarHBondContact OE2-NE 3.04Å; E92-R95 IonicContact OE2-NH2 2.84Å
96I96.3Very high96.5Very high26 Ų2652 Ų5213%0.13325%0.25CC..SBendtrans-93.6130.9-173.5-66.9165.9000109.9E92 E94 R100 R138 F245E92-I96 WeakPolarHBondContact O-CD1 3.4Å; E92-I96 WeakPolarHBondContact O-CG1 3.42Å; E92-I96 PolarHBondContact O-N 3.32Å; E94-I96 VanDerWaalsContact C-N 3.26Å; I96-R100 HydrophobicContact CG2-CB 3.92Å; I96-R100 VanDerWaalsContact CG2-CD 3.42Å; I96-R100 HydrophobicContact CG2-CG 3.67Å; I96-R138 PolarHBondContact O-NH1 3.12Å; I96-F245 HydrophobicContact CD1-CB 3.24Å; I96-F245 HydrophobicContact CD1-CG 4.1Å
97P96.4Very high96.6Very high73 Ų7354.6 Ų54.647%0.47426%0.262SS..  trans-54.4145.5175.3-25.734.2000112.7D99 R100P97-D99 VanDerWaalsContact CB-OD1 3.26Å; P97-D99 WeakPolarHBondContact CB-OD1 3.43Å; P97-D99 PolarHBondContact O-N 3.43Å; P97-R100 HydrophobicContact CB-CB 4.43Å; P97-R100 PolarHBondContact O-N 2.96Å
98S95.1Very high96.5Very high4 Ų461.9 Ų61.93%0.02829%0.294CS..THydrogen-bonded Turntrans-67.6-19.9178.662.10000113.6E67 R138 K141E67-S98 WeakPolarHBondContact OE1-CB 3.03Å; E67-S98 PolarHBondContact OE1-OG 2.9Å; E67-S98 PolarHBondContact OE2-OG 3.03Å; S98-R138 WeakPolarHBondContact O-CG 3.39Å; S98-K141 WeakPolarHBondContact OG-CD 3.39Å; S98-K141 PolarHBondContact OG-NZ 2.8Å
99D94.7Very high96.4Very high86 Ų8667 Ų6746%0.4631%0.313SS..THydrogen-bonded Turntrans-110.115-17963-14.6000112.9P97 A101P97-D99 VanDerWaalsContact CB-OD1 3.26Å; P97-D99 WeakPolarHBondContact CB-OD1 3.43Å; P97-D99 PolarHBondContact O-N 3.43Å; D99-A101 PolarHBondContact O-N 2.91Å
100R96.6Very high96.4Very high36 Ų3666.7 Ų66.714%0.13631%0.311CS..  trans-46.4139.7-174.860.6143.2172.7-159.58.6113.2I96 P97 L102 R146 E212 F245I96-R100 HydrophobicContact CG2-CB 3.92Å; I96-R100 VanDerWaalsContact CG2-CD 3.42Å; I96-R100 HydrophobicContact CG2-CG 3.67Å; P97-R100 HydrophobicContact CB-CB 4.43Å; P97-R100 PolarHBondContact O-N 2.96Å; R100-L102 HydrophobicContact CG-CD2 4.48Å; R100-R146 PolarHBondContact O-NH2 3.2Å; R100-E212 IonicContact CZ-OE1 3.78Å; R100-E212 VanDerWaalsContact CZ-OE1 3.32Å; R100-E212 IonicContact CZ-OE2 3.94Å; R100-E212 IonicContact NE-OE1 3.04Å; R100-E212 PolarHBondContact NE-OE1 2.81Å; R100-E212 IonicContact NE-OE2 2.91Å; R100-E212 PolarHBondContact NE-OE2 2.71Å; R100-E212 VanDerWaalsContact NH2-CD 3.31Å; R100-E212 IonicContact NH2-OE1 3.7Å; R100-E212 PolarHBondContact NH2-OE1 3.17Å; R100-E212 IonicContact NH2-OE2 3.21Å; R100-E212 PolarHBondContact NH2-OE2 2.8Å; R100-F245 PolarHBondContact NH1-O 3.4Å; R100-F245 PolarHBondContact NH2-O 2.78Å
101A96Very high96.2Very high97 Ų9770.7 Ų70.780%0.80234%0.34SS*.  trans-64.2140.8173.200000111.1D99D99-A101 PolarHBondContact O-N 2.91Å
102L96.7Very high96.1Very high32 Ų3268.5 Ų68.517%0.16835%0.346CS..  trans-116.1146176.2-61.7-179000109.9R100 E212 Y247R100-L102 HydrophobicContact CG-CD2 4.48Å; L102-E212 HydrophobicContact CD1-CB 3.96Å; L102-Y247 HydrophobicContact CD1-CD2 3.92Å; L102-Y247 HydrophobicContact CD1-CE2 3.84Å; L102-Y247 HydrophobicContact CD2-CD2 3.81Å; L102-Y247 HydrophobicContact CD2-CG 4.12Å; L102-Y247 HydrophobicContact CG-CD2 4.41Å
103R95.1Very high95.9Very high208 Ų20870.2 Ų70.279%0.78536%0.356SS*.  trans-68.9135.6168.7180178.8173.8-177.80.1109.1T105 N214R103-T105 PolarHBondContact O-N 2.94Å; R103-N214 PolarHBondContact O-ND2 2.82Å
104D97.1Very high95.8Very high69 Ų6978.7 Ų78.737%0.36940%0.395SS..  trans-67.3112.6168.6-167.6-14.1000109.2R106D104-R106 VanDerWaalsContact OD1-CB 3.23Å; D104-R106 WeakPolarHBondContact OD1-CB 3.48Å; D104-R106 VanDerWaalsContact OD1-CG 3.26Å; D104-R106 WeakPolarHBondContact OD1-CG 3.49Å; D104-R106 IonicContact OD1-CZ 2.8Å; D104-R106 PolarHBondContact OD1-N 3.11Å; D104-R106 IonicContact OD1-NE 2.71Å; D104-R106 PolarHBondContact OD1-NE 2.99Å; D104-R106 IonicContact OD1-NH2 3.25Å; D104-R106 IonicContact OD2-CZ 3.73Å; D104-R106 IonicContact OD2-NE 2.83Å; D104-R106 PolarHBondContact OD2-NE 2.8Å; D104-R106 IonicContact OD2-NH2 3.75Å; D104-R106 PolarHBondContact OD2-NH2 2.99Å
105T97.3Very high95.7Very high18 Ų1879.6 Ų79.611%0.1140%0.397CS..  trans-98.73.5-179.153.20000112.8R103 N214 D238 Y247 A249 R339R103-T105 PolarHBondContact O-N 2.94Å; T105-N214 PolarHBondContact OG1-ND2 3.41Å; T105-D238 WeakPolarHBondContact CB-OD2 3.39Å; T105-D238 PolarHBondContact OG1-OD2 3.2Å; T105-Y247 HydrophobicContact CG2-CD1 4.06Å; T105-Y247 HydrophobicContact CG2-CE1 3.63Å; T105-A249 HydrophobicContact CG2-CB 3.65Å; T105-R339 PolarHBondContact O-NH2 3.27Å
106R97.1Very high95.8Very high29 Ų2973.8 Ų73.811%0.10938%0.38CS..SBendtrans-70.9157.1177.4-59.7175.2-60.6165.80.4110.6D104 C110 K215 D216 C337 R339D104-R106 VanDerWaalsContact OD1-CB 3.23Å; D104-R106 WeakPolarHBondContact OD1-CB 3.48Å; D104-R106 VanDerWaalsContact OD1-CG 3.26Å; D104-R106 WeakPolarHBondContact OD1-CG 3.49Å; D104-R106 IonicContact OD1-CZ 2.8Å; D104-R106 PolarHBondContact OD1-N 3.11Å; D104-R106 IonicContact OD1-NE 2.71Å; D104-R106 PolarHBondContact OD1-NE 2.99Å; D104-R106 IonicContact OD1-NH2 3.25Å; D104-R106 IonicContact OD2-CZ 3.73Å; D104-R106 IonicContact OD2-NE 2.83Å; D104-R106 PolarHBondContact OD2-NE 2.8Å; D104-R106 IonicContact OD2-NH2 3.75Å; D104-R106 PolarHBondContact OD2-NH2 2.99Å; R106-C110 HydrophobicContact CB-CB 4.03Å; R106-K215 WeakPolarHBondContact CD-O 3.46Å; R106-K215 PolarHBondContact NE-O 3.38Å; R106-K215 PolarHBondContact NH1-O 2.83Å; R106-D216 IonicContact CZ-OD2 3.95Å; R106-D216 VanDerWaalsContact NH1-CB 3.31Å; R106-D216 IonicContact NH1-OD2 3.85Å; R106-D216 PolarHBondContact NH1-OD2 3.47Å; R106-D216 IonicContact NH2-OD2 3.38Å; R106-D216 PolarHBondContact NH2-OD2 3.31Å; R106-C337 WeakPolarHBondContact CD-O 3.2Å; R106-R339 HydrophobicContact CG-CB 4.37Å; R106-R339 HydrophobicContact CG-CG 3.65Å
107H96.4Very high95.6Very high67 Ų6778 Ų7831%0.3141%0.412SS..  trans-66.4143169.7-170.2-89.6000109.7R109 C110 P280H107-R109 PolarHBondContact ND1-N 2.59Å; H107-R109 PolarHBondContact O-N 2.78Å; H107-C110 WeakPolarHBondContact O-CB 3.47Å; H107-C110 PolarHBondContact O-N 2.67Å; H107-C110 PolarHBondContact O-SG 3.16Å; H107-C110 VanDerWaalsContact O-SG 3.4Å; H107-P280 VanDerWaalsContact CE1-CG 3.48Å; H107-P280 WeakPolarHBondContact CE1-CG 3.38Å
108F95.3Very high95.6Very high156 Ų15679.6 Ų79.668%0.68442%0.417SS*.G310 helixtrans-58.5-25.9-175.472.3-91.6000113.7C110 S111F108-C110 VanDerWaalsContact C-N 3.26Å; F108-C110 PolarHBondContact O-N 3.31Å; F108-S111 PolarHBondContact O-OG 3.31Å
109R96Very high95.7Very high108 Ų10880.2 Ų80.241%0.40842%0.42SS..G310 helixtrans-69.5-19.5175.2-65-179.879.2176.92.2113.6H107 S111 A112 D279 T281H107-R109 PolarHBondContact ND1-N 2.59Å; H107-R109 PolarHBondContact O-N 2.78Å; R109-S111 VanDerWaalsContact C-N 3.27Å; R109-S111 PolarHBondContact O-N 3Å; R109-A112 PolarHBondContact O-N 2.04Å; R109-D279 IonicContact CZ-OD1 2.87Å; R109-D279 IonicContact NH1-OD1 2.74Å; R109-T281 HydrophobicContact CB-CG2 3.61Å
110C96.9Very high95.9Very high3 Ų377.2 Ų77.22%0.0241%0.405CS..G310 helixtrans-65.2-30179.6-65.90000112.7R106 H107 F108 A112 L113 C337R106-C110 HydrophobicContact CB-CB 4.03Å; H107-C110 WeakPolarHBondContact O-CB 3.47Å; H107-C110 PolarHBondContact O-N 2.67Å; H107-C110 PolarHBondContact O-SG 3.16Å; H107-C110 VanDerWaalsContact O-SG 3.4Å; F108-C110 VanDerWaalsContact C-N 3.26Å; F108-C110 PolarHBondContact O-N 3.31Å; C110-A112 PolarHBondContact O-N 2.78Å; C110-L113 WeakPolarHBondContact O-CB 3.19Å; C110-L113 PolarHBondContact O-N 3.28Å; C110-C337 VanDerWaalsContact CA-SG 3.53Å; C110-C337 HydrophobicContact CB-CB 3.63Å; C110-C337 WeakPolarHBondContact CB-SG 3.37Å; C110-C337 WeakPolarHBondContact SG-CA 3.49Å; C110-C337 WeakPolarHBondContact SG-CB 3.41Å; C110-C337 CovalentContact SG-SG 2.04Å; C110-C337 PolarHBondContact SG-SG 2.93Å
111S93.4Very high95.9Very high93 Ų9376.9 Ų76.965%0.6541%0.41SS*.G310 helixtrans-72.3-16.517859.20000113.5F108 R109F108-S111 PolarHBondContact O-OG 3.31Å; R109-S111 VanDerWaalsContact C-N 3.27Å; R109-S111 PolarHBondContact O-N 3Å
112A93.9Very high96.1Very high67 Ų6772.3 Ų72.355%0.55437%0.372SS*.G310 helixtrans-89.7-6.5176.300000112.8R109 C110 H114R109-A112 PolarHBondContact O-N 2.04Å; C110-A112 PolarHBondContact O-N 2.78Å; A112-H114 PolarHBondContact O-CE1 2.5Å; A112-H114 PolarHBondContact O-ND1 3.45Å; A112-H114 VanDerWaalsContact O-ND1 3.08Å
113L94.1Very high96.2Very high64 Ų6470.8 Ų70.834%0.33536%0.364SS..  trans-74.3136176.5-63.8-179.5000110C110 Y115 T281 C337C110-L113 WeakPolarHBondContact O-CB 3.19Å; C110-L113 PolarHBondContact O-N 3.28Å; L113-Y115 HydrophobicContact CB-CE2 4.27Å; L113-Y115 VanDerWaalsContact CD1-OH 3.29Å; L113-Y115 WeakPolarHBondContact CD1-OH 3.23Å; L113-T281 HydrophobicContact CD1-CG2 4.4Å; L113-C337 HydrophobicContact CD1-CB 4.36Å
114H94.3Very high96.4Very high178 Ų17860.9 Ų60.982%0.82433%0.326SS*.  trans-105.9134.1173.8-6571.8000108.2A112A112-H114 PolarHBondContact O-CE1 2.5Å; A112-H114 PolarHBondContact O-ND1 3.45Å; A112-H114 VanDerWaalsContact O-ND1 3.08Å
115Y95.8Very high96.5Very high65 Ų6557.6 Ų57.626%0.25531%0.309SS..  trans-112.8155.3175.4-57.2-69.5000109.1L113 P219 P220 Q223L113-Y115 HydrophobicContact CB-CE2 4.27Å; L113-Y115 VanDerWaalsContact CD1-OH 3.29Å; L113-Y115 WeakPolarHBondContact CD1-OH 3.23Å; Y115-P219 HydrophobicContact CD2-CB 3.63Å; Y115-P219 HydrophobicContact CE2-CB 4.17Å; Y115-P219 HydrophobicContact CG-CB 3.89Å; Y115-P220 HydrophobicContact CE1-CB 4.06Å; Y115-P220 HydrophobicContact CE1-CG 4.32Å; Y115-P220 HydrophobicContact CE2-CG 4.14Å; Y115-P220 WeakPolarHBondContact OH-CG 3.42Å; Y115-Q223 HydrophobicContact CD1-CB 3.88Å; Y115-Q223 HydrophobicContact CD1-CG 4.08Å; Y115-Q223 HydrophobicContact CE1-CB 4.49Å
116D96.6Very high96.5Very high70 Ų7056.8 Ų56.837%0.37430%0.304SS..  trans-58.8146177.4-64.1-16.1000110.7D118 L119 Q223 K226D116-D118 VanDerWaalsContact C-N 3.35Å; D116-D118 WeakPolarHBondContact CB-OD1 3.35Å; D116-L119 HydrophobicContact CB-CD2 4.32Å; D116-L119 HydrophobicContact CB-CG 4.5Å; D116-L119 WeakPolarHBondContact O-CG 3.47Å; D116-Q223 PolarHBondContact OD2-NE2 3.13Å; D116-K226 IonicContact OD2-NZ 3.3Å; D116-K226 PolarHBondContact OD2-NZ 2.85Å
117S93.4Very high96.6Very high114 Ų11455.8 Ų55.880%0.79730%0.301SS*.SBendtrans-76.6-24.6177.861.80000113L119S117-L119 PolarHBondContact O-N 2.87Å
118D95.8Very high96.7Very high108 Ų10853 Ų5358%0.57829%0.288SS*.SBendtrans-10149.8-178.764.8-39.7000111.1D116 K226D116-D118 VanDerWaalsContact C-N 3.35Å; D116-D118 WeakPolarHBondContact CB-OD1 3.35Å; D118-K226 PolarHBondContact O-NZ 2.83Å; D118-K226 IonicContact OD1-NZ 3.5Å; D118-K226 PolarHBondContact OD1-NZ 3.47Å; D118-K226 IonicContact OD2-NZ 3.01Å; D118-K226 PolarHBondContact OD2-NZ 2.9Å
119L98Very high96.8Very high17 Ų1747.1 Ų47.19%0.08926%0.263CS..PPolyproline II helixtrans-71.2143173-71.7172.4000111D116 S117 A121 L151 P219 L222 Q223 K226D116-L119 HydrophobicContact CB-CD2 4.32Å; D116-L119 HydrophobicContact CB-CG 4.5Å; D116-L119 WeakPolarHBondContact O-CG 3.47Å; S117-L119 PolarHBondContact O-N 2.87Å; L119-A121 PolarHBondContact O-N 2.97Å; L119-L151 HydrophobicContact CB-CD2 3.72Å; L119-P219 HydrophobicContact CD1-CB 3.86Å; L119-L222 HydrophobicContact CB-CB 4.33Å; L119-L222 HydrophobicContact CB-CD1 4.42Å; L119-L222 HydrophobicContact CD1-CB 4.3Å; L119-L222 HydrophobicContact CD2-CB 4.17Å; L119-Q223 HydrophobicContact CD2-CB 4.09Å; L119-K226 HydrophobicContact CD2-CD 4.2Å
120P97.8Very high96.8Very high23 Ų2344 Ų4415%0.14926%0.255CS..PPolyproline II helixtrans-67.7135178.828.3-35000110.9V203 L222P120-V203 HydrophobicContact CB-CG2 4.01Å; P120-V203 HydrophobicContact CG-CG2 3.81Å; P120-L222 WeakPolarHBondContact O-CD1 3.34Å
121A98Very high96.9Very high29 Ų2944.2 Ų44.224%0.2426%0.255CS..PPolyproline II helixtrans-64.7154.517200000111.4L119 H150 L151 H153L119-A121 PolarHBondContact O-N 2.97Å; A121-H150 WeakPolarHBondContact CB-O 3.5Å; A121-L151 WeakPolarHBondContact CA-O 3.46Å; A121-H153 HydrophobicContact CB-CB 4.13Å
122T98.8Very high97Very high0 Ų039.8 Ų39.80%022%0.224CC..EExtended strand (participates in β ladder)trans-123.4148-178.2-175.70000112.4I124 L151 H153 V203 T205 L218 L222T122-I124 HydrophobicContact CG2-CD1 4.27Å; T122-I124 HydrophobicContact CG2-CG1 3.99Å; T122-L151 PolarHBondContact N-O 3.29Å; T122-H153 WeakPolarHBondContact O-CB 3.39Å; T122-H153 PolarHBondContact O-N 2.93Å; T122-V203 WeakPolarHBondContact CA-O 3.5Å; T122-V203 PolarHBondContact OG1-O 3.43Å; T122-V203 VanDerWaalsContact OG1-O 3.08Å; T122-T205 WeakPolarHBondContact OG1-CB 3.34Å; T122-T205 PolarHBondContact OG1-N 3.12Å; T122-T205 PolarHBondContact OG1-OG1 2.69Å; T122-L218 HydrophobicContact CG2-CD1 4.29Å; T122-L218 HydrophobicContact CG2-CD2 3.77Å; T122-L222 HydrophobicContact CG2-CD2 4.49Å
123S98.9Very high97.2Very high0 Ų037 Ų370%020%0.199CC..EExtended strand (participates in β ladder)trans-92.4113.5165.3-66.30000107.8E154 R200 A201 V203 T205S123-E154 WeakPolarHBondContact OG-CG 3.18Å; S123-E154 PolarHBondContact OG-OE1 2.89Å; S123-R200 PolarHBondContact OG-N 3.11Å; S123-A201 VanDerWaalsContact N-CB 3.28Å; S123-A201 WeakPolarHBondContact OG-CB 3.37Å; S123-A201 PolarHBondContact OG-N 3.46Å; S123-A201 VanDerWaalsContact OG-N 3.1Å; S123-V203 PolarHBondContact N-O 2.82Å; S123-T205 PolarHBondContact O-N 2.51Å
124I98.9Very high97.4Very high0 Ų034.1 Ų34.10%018%0.184CC..EExtended strand (participates in β ladder)trans-87.5119.6-179.4-66.6146.6000108.7T122 I126 V143 I152 E154 I155 I156 T205 L207T122-I124 HydrophobicContact CG2-CD1 4.27Å; T122-I124 HydrophobicContact CG2-CG1 3.99Å; I124-I126 HydrophobicContact CG2-CD1 4.27Å; I124-I126 HydrophobicContact CG2-CG1 4.18Å; I124-V143 HydrophobicContact CD1-CG1 3.52Å; I124-I152 HydrophobicContact CD1-CG1 4.19Å; I124-I152 HydrophobicContact CD1-CG2 4.28Å; I124-E154 PolarHBondContact N-O 3.1Å; I124-I155 HydrophobicContact CB-CG1 4.34Å; I124-I155 HydrophobicContact CD1-CG1 4.38Å; I124-I155 CarbonylContact O-C 3.49Å; I124-I155 WeakPolarHBondContact O-CA 3.46Å; I124-I156 PolarHBondContact O-N 2.81Å; I124-T205 CarbonylContact C-O 3.53Å; I124-T205 VanDerWaalsContact CA-O 3.3Å; I124-T205 WeakPolarHBondContact CA-O 3.37Å; I124-T205 HydrophobicContact CG1-CG2 4.18Å; I124-L207 HydrophobicContact CG2-CD1 4.06Å
125I98.9Very high97.6Very high1 Ų125.8 Ų25.81%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-108.8117.8-176.3-61.2158.8000108.6T127 I156 V158 A196 A199 L204 T205 F206 L207I125-T127 HydrophobicContact CG2-CG2 4.26Å; I125-I156 WeakPolarHBondContact CA-O 3.06Å; I125-I156 HydrophobicContact CG1-CB 4.42Å; I125-V158 HydrophobicContact CG2-CG2 4.24Å; I125-A196 HydrophobicContact CD1-CB 4.16Å; I125-A199 HydrophobicContact CD1-CB 4.43Å; I125-L204 HydrophobicContact CD1-CB 4.49Å; I125-L204 HydrophobicContact CD1-CD2 4.07Å; I125-T205 PolarHBondContact N-O 2.57Å; I125-F206 HydrophobicContact CB-CD1 3.85Å; I125-F206 HydrophobicContact CB-CE1 3.98Å; I125-F206 HydrophobicContact CD1-CD1 4.23Å; I125-F206 HydrophobicContact CD1-CE1 3.55Å; I125-F206 HydrophobicContact CD1-CZ 3.87Å; I125-F206 HydrophobicContact CG1-CE1 4.39Å; I125-F206 HydrophobicContact CG2-CD1 4Å; I125-F206 HydrophobicContact CG2-CE1 3.99Å; I125-L207 PolarHBondContact O-N 2.9Å; I125-L207 VanDerWaalsContact O-N 3.14Å
126I98.9Very high97.7Very high0 Ų022.7 Ų22.70%013%0.134CC..EExtended strand (participates in β ladder)trans-119.1108.9177.2-60.2164.7000107.8I124 L136 T139 I140 I155 I156 L157 V158 L207I124-I126 HydrophobicContact CG2-CD1 4.27Å; I124-I126 HydrophobicContact CG2-CG1 4.18Å; I126-L136 HydrophobicContact CG2-CD1 4.32Å; I126-T139 HydrophobicContact CD1-CG2 3.97Å; I126-I140 HydrophobicContact CD1-CG1 4.25Å; I126-I155 HydrophobicContact CD1-CG2 4.01Å; I126-I156 PolarHBondContact N-O 3.32Å; I126-L157 HydrophobicContact CB-CD2 3.86Å; I126-L157 HydrophobicContact CD1-CD2 4.07Å; I126-L157 HydrophobicContact CG1-CD2 4.49Å; I126-L157 HydrophobicContact CG2-CD2 4.34Å; I126-L157 CarbonylContact O-C 3.59Å; I126-L157 WeakPolarHBondContact O-CA 3.11Å; I126-V158 PolarHBondContact O-N 3.19Å; I126-L207 HydrophobicContact CG1-CB 4.07Å
127T98.4Very high97.8Very high9 Ų919.4 Ų19.46%0.05512%0.116CC..EExtended strand (participates in β ladder)trans-93.3139175.1600000109.7I125 V158 L188 R192I125-T127 HydrophobicContact CG2-CG2 4.26Å; T127-V158 WeakPolarHBondContact CA-O 3.25Å; T127-V158 HydrophobicContact CG2-CB 4.02Å; T127-V158 HydrophobicContact CG2-CG2 4.31Å; T127-L188 WeakPolarHBondContact OG1-CD1 3.3Å; T127-R192 HydrophobicContact CG2-CB 4.32Å; T127-R192 HydrophobicContact CG2-CG 3.52Å
128F98.4Very high98Very high7 Ų714.1 Ų14.13%0.0318%0.079CC..EExtended strand (participates in β ladder)trans-147.9155.5178.474.7-83.1000112.4E131 L136 L157 V158 D159 D160 D167 C168F128-E131 HydrophobicContact CB-CB 4.13Å; F128-E131 HydrophobicContact CD2-CB 4.1Å; F128-L136 HydrophobicContact CD1-CD1 4.3Å; F128-L136 HydrophobicContact CD1-CD2 4.33Å; F128-L136 HydrophobicContact CD2-CD2 4.07Å; F128-L136 HydrophobicContact CE1-CD2 4.13Å; F128-L136 HydrophobicContact CE2-CD2 3.86Å; F128-L136 HydrophobicContact CG-CD1 4.41Å; F128-L136 HydrophobicContact CG-CD2 4.28Å; F128-L136 HydrophobicContact CZ-CD2 3.85Å; F128-L157 HydrophobicContact CE1-CB 4.2Å; F128-V158 PolarHBondContact N-O 3.17Å; F128-D159 HydrophobicContact CE1-CB 3.77Å; F128-D159 HydrophobicContact CE2-CB 4.34Å; F128-D159 HydrophobicContact CZ-CB 3.68Å; F128-D160 WeakPolarHBondContact O-CB 3.15Å; F128-D160 PolarHBondContact O-N 3.02Å; F128-D167 HydrophobicContact CE2-CB 4.25Å; F128-C168 HydrophobicContact CE1-CB 4.17Å; F128-C168 HydrophobicContact CZ-CB 3.71Å
129H97.6Very high98.1Very high33 Ų339 Ų915%0.1535%0.052CC..SBendtrans-141115.7171.917575.2000108.4E131 D160 F161 R185H129-E131 VanDerWaalsContact C-N 3.28Å; H129-E131 PolarHBondContact O-N 3.35Å; H129-D160 HydrophobicContact CB-CB 4.28Å; H129-D160 PolarHBondContact ND1-O 3.24Å; H129-F161 PolarHBondContact CE1-O 2.79Å; H129-F161 VanDerWaalsContact CE1-O 3.26Å; H129-F161 PolarHBondContact ND1-O 2.87Å; H129-R185 VanDerWaalsContact CD2-CZ 3.49Å; H129-R185 PolarHBondContact CD2-NE 2.87Å; H129-R185 WeakPolarHBondContact CE1-CD 3.32Å; H129-R185 PolarHBondContact CE1-NE 3.35Å; H129-R185 WeakPolarHBondContact ND1-CD 2.76Å; H129-R185 PolarHBondContact ND1-NE 2.85Å; H129-R185 PolarHBondContact NE2-NE 3.44Å
130N96.6Very high98.1Very high44 Ų448.2 Ų8.224%0.2355%0.047CC..SBendtrans49.647-179.6-68.9-36.1000112.7Y86 S162 N163Y86-N130 WeakPolarHBondContact CD1-O 3.13Å; Y86-N130 VanDerWaalsContact CE1-O 3.27Å; Y86-N130 WeakPolarHBondContact CE1-O 3.25Å; N130-S162 PolarHBondContact N-OG 2.95Å; N130-S162 WeakPolarHBondContact OD1-CA 3.26Å; N130-S162 WeakPolarHBondContact OD1-CB 3.23Å; N130-N163 PolarHBondContact OD1-N 2.64Å
131E97.8Very high98.1Very high6 Ų68.2 Ų8.23%0.0285%0.045CC..  trans-78.9150.6176.2-175.361.3-96.900111.2F88 F128 H129 R133 T135 L136 S209 H210 R345F88-E131 WeakPolarHBondContact CE1-OE1 3.3Å; F128-E131 HydrophobicContact CB-CB 4.13Å; F128-E131 HydrophobicContact CD2-CB 4.1Å; H129-E131 VanDerWaalsContact C-N 3.28Å; H129-E131 PolarHBondContact O-N 3.35Å; E131-R133 PolarHBondContact O-N 3.11Å; E131-T135 WeakPolarHBondContact CG-OG1 3.37Å; E131-T135 PolarHBondContact OE1-OG1 3.06Å; E131-L136 HydrophobicContact CB-CB 4.48Å; E131-L136 HydrophobicContact CG-CB 4.01Å; E131-S209 PolarHBondContact OE2-OG 3.4Å; E131-H210 IonicContact OE2-CE1 2.68Å; E131-H210 IonicContact OE2-CG 3.28Å; E131-H210 IonicContact OE2-ND1 2.67Å; E131-H210 PolarHBondContact OE2-ND1 3.42Å; E131-R345 IonicContact OE1-NH2 3.31Å; E131-R345 PolarHBondContact OE1-NH2 3.33Å; E131-R345 IonicContact OE2-NH2 2.83Å; E131-R345 PolarHBondContact OE2-NH2 3.36Å
132A97.2Very high98.1Very high0 Ų06.9 Ų6.90%03%0.034CC..  trans-64.9135173.300000110.4Y86 F88 S134 T135 L136Y86-A132 HydrophobicContact CD1-CB 3.99Å; Y86-A132 HydrophobicContact CD2-CB 3.83Å; Y86-A132 HydrophobicContact CE1-CB 3.95Å; Y86-A132 HydrophobicContact CE2-CB 3.79Å; Y86-A132 HydrophobicContact CG-CB 3.92Å; F88-A132 HydrophobicContact CE2-CB 4.08Å; F88-A132 HydrophobicContact CZ-CB 3.65Å; A132-S134 PolarHBondContact O-N 2.91Å; A132-S134 VanDerWaalsContact O-N 3.17Å; A132-T135 PolarHBondContact O-N 2.81Å; A132-T135 PolarHBondContact O-OG1 2.86Å; A132-L136 PolarHBondContact O-N 2.89Å
133R97.3Very high98.1Very high10 Ų106.9 Ų6.94%0.0383%0.034CC..Hα-helixtrans-55.6-37.7179.6-72.4-164.7175.7-159.8-6.8112.8Y70 L71 R74 E131 L137 N164 S166 D167Y70-R133 HydrophobicContact CD1-CB 4.19Å; Y70-R133 HydrophobicContact CE1-CB 3.54Å; Y70-R133 HydrophobicContact CE1-CG 3.93Å; Y70-R133 WeakPolarHBondContact CE1-O 3.49Å; Y70-R133 HydrophobicContact CE2-CG 4.27Å; Y70-R133 WeakPolarHBondContact O-CD 3.35Å; Y70-R133 PolarHBondContact O-NH1 2.86Å; L71-R133 HydrophobicContact CD2-CB 4.25Å; R74-R133 HydrophobicContact CB-CG 4.44Å; E131-R133 PolarHBondContact O-N 3.11Å; R133-L137 VanDerWaalsContact O-CB 3.24Å; R133-L137 WeakPolarHBondContact O-CB 3.48Å; R133-L137 PolarHBondContact O-N 3.35Å; R133-N164 PolarHBondContact NH2-ND2 2.97Å; R133-S166 PolarHBondContact NH2-OG 3.04Å; R133-D167 IonicContact CZ-OD1 3.17Å; R133-D167 IonicContact NE-OD1 2.67Å; R133-D167 PolarHBondContact NE-OD1 2.9Å; R133-D167 IonicContact NH2-OD1 3.32Å; R133-D167 PolarHBondContact NH2-OD1 3.3Å
134S97.8Very high98Very high2 Ų27 Ų71%0.0143%0.034CC..Hα-helixtrans-65.4-42.6179.651.20000113.2S93 A132 R138S93-S134 WeakPolarHBondContact OG-CB 3.46Å; S93-S134 PolarHBondContact OG-OG 2.96Å; A132-S134 PolarHBondContact O-N 2.91Å; A132-S134 VanDerWaalsContact O-N 3.17Å; S134-R138 WeakPolarHBondContact O-CB 3.32Å; S134-R138 PolarHBondContact O-N 3.32Å; S134-R138 VanDerWaalsContact O-N 3.15Å
135T98.2Very high97.9Very high4 Ų410.4 Ų10.43%0.0255%0.053CC..Hα-helixtrans-71.8-45.8176.743.80000111.5F88 E131 A132 L137 R138 T139 S209 H210 F245F88-T135 HydrophobicContact CE1-CG2 4.28Å; F88-T135 HydrophobicContact CE2-CG2 3.99Å; F88-T135 HydrophobicContact CZ-CG2 3.64Å; E131-T135 WeakPolarHBondContact CG-OG1 3.37Å; E131-T135 PolarHBondContact OE1-OG1 3.06Å; A132-T135 PolarHBondContact O-N 2.81Å; A132-T135 PolarHBondContact O-OG1 2.86Å; T135-L137 PolarHBondContact O-N 2.87Å; T135-R138 PolarHBondContact O-N 3.49Å; T135-T139 PolarHBondContact O-N 2.04Å; T135-T139 PolarHBondContact O-OG1 2.77Å; T135-T139 VanDerWaalsContact O-OG1 3.11Å; T135-S209 CarbonylContact C-O 3.57Å; T135-H210 HydrophobicContact CG2-CB 4.34Å; T135-F245 HydrophobicContact CG2-CE1 3.8Å; T135-F245 HydrophobicContact CG2-CZ 4.09Å
136L98.4Very high97.7Very high0 Ų012.9 Ų12.90%06%0.062CC..Hα-helixtrans-59.6-47.9179.6-18059.9000112I126 F128 E131 A132 T139 I140 L171 S209I126-L136 HydrophobicContact CG2-CD1 4.32Å; F128-L136 HydrophobicContact CD1-CD1 4.3Å; F128-L136 HydrophobicContact CD1-CD2 4.33Å; F128-L136 HydrophobicContact CD2-CD2 4.07Å; F128-L136 HydrophobicContact CE1-CD2 4.13Å; F128-L136 HydrophobicContact CE2-CD2 3.86Å; F128-L136 HydrophobicContact CG-CD1 4.41Å; F128-L136 HydrophobicContact CG-CD2 4.28Å; F128-L136 HydrophobicContact CZ-CD2 3.85Å; E131-L136 HydrophobicContact CB-CB 4.48Å; E131-L136 HydrophobicContact CG-CB 4.01Å; A132-L136 PolarHBondContact O-N 2.89Å; L136-T139 PolarHBondContact O-N 3.3Å; L136-I140 HydrophobicContact CD1-CD1 4.28Å; L136-I140 HydrophobicContact CG-CD1 4.3Å; L136-I140 WeakPolarHBondContact O-CG1 3.36Å; L136-I140 PolarHBondContact O-N 2.59Å; L136-L171 HydrophobicContact CD2-CD1 3.57Å; L136-L171 HydrophobicContact CG-CD1 3.79Å; L136-S209 WeakPolarHBondContact CA-O 3.41Å; L136-S209 PolarHBondContact N-O 3.37Å
137L98.1Very high97.7Very high0 Ų013.3 Ų13.30%06%0.064CC..Hα-helixtrans-62.4-44.2176.9177.662.5000111.4F65 E67 Y70 L71 R133 T135 T139 I140 K141 L171 L174F65-L137 HydrophobicContact CD1-CD1 4.24Å; F65-L137 HydrophobicContact CE1-CD1 3.67Å; F65-L137 HydrophobicContact CE1-CD2 4Å; F65-L137 HydrophobicContact CZ-CD1 4.29Å; E67-L137 HydrophobicContact CB-CD2 4.37Å; E67-L137 HydrophobicContact CG-CD2 3.65Å; Y70-L137 HydrophobicContact CD1-CB 4.37Å; Y70-L137 HydrophobicContact CD1-CD2 4.07Å; Y70-L137 HydrophobicContact CE1-CB 3.91Å; Y70-L137 HydrophobicContact CE1-CD2 4.45Å; L71-L137 HydrophobicContact CD2-CD2 4.19Å; L71-L137 HydrophobicContact CG-CD2 4.37Å; R133-L137 VanDerWaalsContact O-CB 3.24Å; R133-L137 WeakPolarHBondContact O-CB 3.48Å; R133-L137 PolarHBondContact O-N 3.35Å; T135-L137 PolarHBondContact O-N 2.87Å; L137-T139 VanDerWaalsContact C-N 3.31Å; L137-T139 PolarHBondContact O-N 2.03Å; L137-I140 PolarHBondContact O-N 3.25Å; L137-K141 HydrophobicContact CD1-CD 4.26Å; L137-K141 HydrophobicContact CD1-CG 4.16Å; L137-K141 HydrophobicContact CG-CD 4.29Å; L137-K141 HydrophobicContact CG-CG 4.49Å; L137-K141 WeakPolarHBondContact O-CB 3.49Å; L137-K141 PolarHBondContact O-N 3.39Å; L137-L171 HydrophobicContact CD1-CD2 3.87Å; L137-L174 HydrophobicContact CD1-CD1 3.88Å
138R98.3Very high97.5Very high4 Ų415.3 Ų15.32%0.0158%0.078CC..Hα-helixtrans-65.5-33.7-179.7-179.9156.254.2-115.1-11.4112.5S93 I96 S98 S134 T135 S142 E212S93-R138 PolarHBondContact O-NH1 2.88Å; S93-R138 PolarHBondContact O-NH2 3.22Å; S93-R138 PolarHBondContact OG-NH2 2.94Å; I96-R138 PolarHBondContact O-NH1 3.12Å; S98-R138 WeakPolarHBondContact O-CG 3.39Å; S134-R138 WeakPolarHBondContact O-CB 3.32Å; S134-R138 PolarHBondContact O-N 3.32Å; S134-R138 VanDerWaalsContact O-N 3.15Å; T135-R138 PolarHBondContact O-N 3.49Å; R138-S142 WeakPolarHBondContact O-CB 3.44Å; R138-S142 PolarHBondContact O-N 3.23Å; R138-S142 PolarHBondContact O-OG 3.48Å; R138-E212 VanDerWaalsContact CD-CD 3.47Å; R138-E212 WeakPolarHBondContact CD-OE1 3.35Å; R138-E212 HydrophobicContact CG-CG 3.79Å; R138-E212 IonicContact NE-OE1 3.92Å; R138-E212 PolarHBondContact NE-OE1 3.47Å; R138-E212 VanDerWaalsContact NE-OE1 3.17Å
139T98.8Very high97.3Very high1 Ų115.9 Ų15.91%0.0068%0.082CC..Hα-helixtrans-60.2-50.8170-60.10000111.3I126 T135 L136 L137 S142 V143 S209 H210 C211I126-T139 HydrophobicContact CD1-CG2 3.97Å; T135-T139 PolarHBondContact O-N 2.04Å; T135-T139 PolarHBondContact O-OG1 2.77Å; T135-T139 VanDerWaalsContact O-OG1 3.11Å; L136-T139 PolarHBondContact O-N 3.3Å; L137-T139 VanDerWaalsContact C-N 3.31Å; L137-T139 PolarHBondContact O-N 2.03Å; T139-S142 PolarHBondContact O-N 3.08Å; T139-S142 PolarHBondContact O-OG 2.77Å; T139-V143 WeakPolarHBondContact O-CG2 3.18Å; T139-V143 PolarHBondContact O-N 3.14Å; T139-V143 VanDerWaalsContact O-N 3.17Å; T139-S209 PolarHBondContact OG1-O 3.07Å; T139-H210 PolarHBondContact OG1-N 3.19Å; T139-C211 WeakPolarHBondContact CA-O 3.4Å; T139-C211 VanDerWaalsContact CB-O 3.32Å; T139-C211 WeakPolarHBondContact CB-O 3.4Å; T139-C211 HydrophobicContact CG2-CB 4.09Å; T139-C211 PolarHBondContact OG1-N 3.03Å; T139-C211 PolarHBondContact OG1-O 3.45Å
140I98.3Very high97.2Very high0 Ų019.9 Ų19.90%010%0.1CC..Hα-helixtrans-63.4-49.6-179.1-63.8161000111I126 L136 L137 S142 V143 L144 I155 L157 L171 L174 V177I126-I140 HydrophobicContact CD1-CG1 4.25Å; L136-I140 HydrophobicContact CD1-CD1 4.28Å; L136-I140 HydrophobicContact CG-CD1 4.3Å; L136-I140 WeakPolarHBondContact O-CG1 3.36Å; L136-I140 PolarHBondContact O-N 2.59Å; L137-I140 PolarHBondContact O-N 3.25Å; I140-S142 VanDerWaalsContact C-N 3.31Å; I140-S142 PolarHBondContact O-N 2.92Å; I140-V143 WeakPolarHBondContact O-CB 3.49Å; I140-V143 PolarHBondContact O-N 2.72Å; I140-V143 VanDerWaalsContact O-N 3.11Å; I140-L144 HydrophobicContact CG2-CD1 3.66Å; I140-L144 HydrophobicContact CG2-CG 4.24Å; I140-L144 WeakPolarHBondContact O-CG 3.31Å; I140-L144 PolarHBondContact O-N 2.74Å; I140-I155 HydrophobicContact CG2-CD1 4.3Å; I140-L157 HydrophobicContact CD1-CD1 3.66Å; I140-L157 HydrophobicContact CD1-CD2 3.82Å; I140-L157 HydrophobicContact CD1-CG 4.35Å; I140-L157 HydrophobicContact CG1-CD2 4.07Å; I140-L171 HydrophobicContact CD1-CB 4.43Å; I140-L171 HydrophobicContact CD1-CD1 3.61Å; I140-L171 HydrophobicContact CD1-CD2 4.11Å; I140-L171 HydrophobicContact CD1-CG 4.28Å; I140-L174 HydrophobicContact CG2-CD1 3.82Å; I140-V177 HydrophobicContact CG2-CG2 3.91Å
141K97.3Very high97.2Very high23 Ų2317.9 Ų17.910%0.19%0.09CC..Hα-helixtrans-61.2-38.1177.4-84-170.8141.1-171.10112.4E67 S98 L137 V143 L144 N145E67-K141 IonicContact OE2-NZ 3.8Å; E67-K141 PolarHBondContact OE2-NZ 2.96Å; S98-K141 WeakPolarHBondContact OG-CD 3.39Å; S98-K141 PolarHBondContact OG-NZ 2.8Å; L137-K141 HydrophobicContact CD1-CD 4.26Å; L137-K141 HydrophobicContact CD1-CG 4.16Å; L137-K141 HydrophobicContact CG-CD 4.29Å; L137-K141 HydrophobicContact CG-CG 4.49Å; L137-K141 WeakPolarHBondContact O-CB 3.49Å; L137-K141 PolarHBondContact O-N 3.39Å; K141-V143 VanDerWaalsContact C-N 3.27Å; K141-V143 PolarHBondContact O-N 3.12Å; K141-L144 PolarHBondContact O-N 3.01Å; K141-N145 VanDerWaalsContact O-CB 3.23Å; K141-N145 WeakPolarHBondContact O-CB 3.2Å; K141-N145 PolarHBondContact O-N 2.96Å; K141-N145 PolarHBondContact O-OD1 3.5Å
142S98.3Very high97.2Very high1 Ų117.6 Ų17.61%0.0079%0.088CC..Hα-helixtrans-59.8-40.5175.276.30000111.9R138 T139 I140 R146 V213R138-S142 WeakPolarHBondContact O-CB 3.44Å; R138-S142 PolarHBondContact O-N 3.23Å; R138-S142 PolarHBondContact O-OG 3.48Å; T139-S142 PolarHBondContact O-N 3.08Å; T139-S142 PolarHBondContact O-OG 2.77Å; I140-S142 VanDerWaalsContact C-N 3.31Å; I140-S142 PolarHBondContact O-N 2.92Å; S142-R146 WeakPolarHBondContact O-CB 3.16Å; S142-R146 PolarHBondContact O-N 2.98Å; S142-V213 VanDerWaalsContact C-CG2 3.4Å; S142-V213 WeakPolarHBondContact O-CG2 3.36Å; S142-V213 PolarHBondContact OG-N 3.25Å; S142-V213 VanDerWaalsContact OG-N 3.16Å
143V98.5Very high97.3Very high0 Ų021.7 Ų21.70%011%0.107CC..Hα-helixtrans-67-49.6177.1170.50000110.7I124 T139 I140 K141 N145 R146 T147 I152 I155 L207 V213 W217I124-V143 HydrophobicContact CD1-CG1 3.52Å; T139-V143 WeakPolarHBondContact O-CG2 3.18Å; T139-V143 PolarHBondContact O-N 3.14Å; T139-V143 VanDerWaalsContact O-N 3.17Å; I140-V143 WeakPolarHBondContact O-CB 3.49Å; I140-V143 PolarHBondContact O-N 2.72Å; I140-V143 VanDerWaalsContact O-N 3.11Å; K141-V143 VanDerWaalsContact C-N 3.27Å; K141-V143 PolarHBondContact O-N 3.12Å; V143-N145 VanDerWaalsContact C-N 3.32Å; V143-N145 PolarHBondContact O-N 2.67Å; V143-R146 PolarHBondContact O-N 2.93Å; V143-T147 WeakPolarHBondContact O-CB 3.29Å; V143-T147 PolarHBondContact O-N 3.14Å; V143-T147 PolarHBondContact O-OG1 2.73Å; V143-I152 HydrophobicContact CG1-CD1 4.3Å; V143-I155 HydrophobicContact CB-CD1 4.42Å; V143-I155 HydrophobicContact CG1-CD1 3.85Å; V143-L207 HydrophobicContact CG2-CD1 3.73Å; V143-V213 HydrophobicContact CG2-CG1 4Å; V143-V213 HydrophobicContact CG2-CG2 4.29Å; V143-W217 HydrophobicContact CG2-CZ2 4.37Å
144L96.9Very high97.3Very high2 Ų221.4 Ų21.41%0.0111%0.106CC..Hα-helixtrans-63.3-35.9-178.7-64170000112.5W58 L62 I140 K141 I152 I155 L174 P175W58-L144 HydrophobicContact CH2-CD2 3.69Å; W58-L144 HydrophobicContact CZ2-CB 4.18Å; W58-L144 HydrophobicContact CZ2-CD2 3.41Å; W58-L144 VanDerWaalsContact CZ2-CD2 3.41Å; W58-L144 HydrophobicContact CZ2-CG 4.37Å; W58-L144 PolarHBondContact NE1-O 2.96Å; L62-L144 HydrophobicContact CD2-CB 3.87Å; L62-L144 HydrophobicContact CD2-CD1 3.56Å; L62-L144 HydrophobicContact CD2-CG 4.24Å; I140-L144 HydrophobicContact CG2-CD1 3.66Å; I140-L144 HydrophobicContact CG2-CG 4.24Å; I140-L144 WeakPolarHBondContact O-CG 3.31Å; I140-L144 PolarHBondContact O-N 2.74Å; K141-L144 PolarHBondContact O-N 3.01Å; L144-I152 HydrophobicContact CD2-CD1 4.36Å; L144-I155 HydrophobicContact CD2-CD1 3.62Å; L144-I155 HydrophobicContact CG-CD1 3.99Å; L144-L174 HydrophobicContact CD1-CB 4.33Å; L144-P175 HydrophobicContact CD1-CG 4.47Å; L144-P175 HydrophobicContact CD2-CG 4.45Å
145N95.4Very high97.4Very high72 Ų7221.3 Ų21.339%0.38511%0.106SC..Hα-helixtrans-85.5-19.6-175.6-663.2000113.9K141 V143K141-N145 VanDerWaalsContact O-CB 3.23Å; K141-N145 WeakPolarHBondContact O-CB 3.2Å; K141-N145 PolarHBondContact O-N 2.96Å; K141-N145 PolarHBondContact O-OD1 3.5Å; V143-N145 VanDerWaalsContact C-N 3.32Å; V143-N145 PolarHBondContact O-N 2.67Å
146R96.5Very high97.4Very high52 Ų5221.2 Ų21.220%0.19611%0.105CC..Hα-helixtrans-125.716.7-171.1-59.5176.8-174.3116.712.8113.8R100 S142 V143 V213R100-R146 PolarHBondContact O-NH2 3.2Å; S142-R146 WeakPolarHBondContact O-CB 3.16Å; S142-R146 PolarHBondContact O-N 2.98Å; V143-R146 PolarHBondContact O-N 2.93Å; R146-V213 HydrophobicContact CB-CG2 4.19Å; R146-V213 WeakPolarHBondContact CD-O 3.02Å; R146-V213 PolarHBondContact NH1-O 3.08Å
147T96.9Very high97.4Very high9 Ų921.2 Ų21.26%0.05511%0.105CC..SBendtrans-127.8128.6177.4-47.50000108.7V143 V149 L151 I152 W217 L218V143-T147 WeakPolarHBondContact O-CB 3.29Å; V143-T147 PolarHBondContact O-N 3.14Å; V143-T147 PolarHBondContact O-OG1 2.73Å; T147-V149 PolarHBondContact O-N 3.35Å; T147-L151 HydrophobicContact CG2-CB 4.26Å; T147-I152 HydrophobicContact CG2-CD1 4.09Å; T147-I152 HydrophobicContact CG2-CG1 3.65Å; T147-W217 PolarHBondContact OG1-NE1 3.38Å; T147-L218 HydrophobicContact CG2-CB 4.28Å; T147-L218 HydrophobicContact CG2-CD2 3.4Å; T147-L218 HydrophobicContact CG2-CG 4.48Å
148P94.8Very high97.5Very high51 Ų5121.2 Ų21.233%0.33111%0.105SC..  trans-52131173.1-26.533.5000111.5H150 L151P148-H150 VanDerWaalsContact CB-CE1 3.48Å; P148-H150 WeakPolarHBondContact CB-CE1 3.29Å; P148-H150 PolarHBondContact O-N 2.88Å; P148-H150 VanDerWaalsContact O-N 3.13Å; P148-L151 HydrophobicContact CB-CD1 4.1Å; P148-L151 HydrophobicContact CB-CG 4.2Å; P148-L151 HydrophobicContact CG-CD1 3.96Å; P148-L151 WeakPolarHBondContact O-CB 3.17Å; P148-L151 PolarHBondContact O-N 3.29Å
149V94.5Very high97.5Very high19 Ų1921 Ų2112%0.11510%0.104CC..G310 helixtrans-55.1-38.6-170179.50000112.3W58 T147 L151 I152 K176W58-V149 HydrophobicContact CB-CG2 4.26Å; W58-V149 HydrophobicContact CD2-CG1 4.09Å; W58-V149 HydrophobicContact CD2-CG2 3.71Å; W58-V149 HydrophobicContact CE3-CG1 3.82Å; W58-V149 HydrophobicContact CE3-CG2 4.31Å; W58-V149 HydrophobicContact CG-CG2 3.67Å; W58-V149 HydrophobicContact CH2-CG1 4.43Å; W58-V149 HydrophobicContact CZ2-CG2 4.49Å; W58-V149 HydrophobicContact CZ3-CG1 4Å; T147-V149 PolarHBondContact O-N 3.35Å; V149-L151 VanDerWaalsContact C-N 3.27Å; V149-L151 PolarHBondContact O-N 3.33Å; V149-I152 PolarHBondContact O-N 3.14Å; V149-K176 PolarHBondContact O-NZ 2.98Å
150H94.8Very high97.5Very high117 Ų11721.3 Ų21.354%0.54211%0.106SC..G310 helixtrans-67.6-21.8-179.965.8-90.7000113.9A121 P148A121-H150 WeakPolarHBondContact CB-O 3.5Å; P148-H150 VanDerWaalsContact CB-CE1 3.48Å; P148-H150 WeakPolarHBondContact CB-CE1 3.29Å; P148-H150 PolarHBondContact O-N 2.88Å; P148-H150 VanDerWaalsContact O-N 3.13Å
151L97.6Very high97.4Very high3 Ų325.3 Ų25.32%0.01612%0.123CC..G310 helixtrans-83.6-19.5177.3-60.3178.9000112.7L119 A121 T122 T147 P148 V149 H153 L218 P219 L222L119-L151 HydrophobicContact CB-CD2 3.72Å; A121-L151 WeakPolarHBondContact CA-O 3.46Å; T122-L151 PolarHBondContact N-O 3.29Å; T147-L151 HydrophobicContact CG2-CB 4.26Å; P148-L151 HydrophobicContact CB-CD1 4.1Å; P148-L151 HydrophobicContact CB-CG 4.2Å; P148-L151 HydrophobicContact CG-CD1 3.96Å; P148-L151 WeakPolarHBondContact O-CB 3.17Å; P148-L151 PolarHBondContact O-N 3.29Å; V149-L151 VanDerWaalsContact C-N 3.27Å; V149-L151 PolarHBondContact O-N 3.33Å; L151-H153 PolarHBondContact O-N 3.32Å; L151-L218 HydrophobicContact CB-CD2 4.14Å; L151-P219 HydrophobicContact CD1-CG 4.32Å; L151-L222 HydrophobicContact CB-CD1 4.29Å; L151-L222 HydrophobicContact CD1-CD1 4.08Å; L151-L222 HydrophobicContact CD2-CD1 4.01Å; L151-L222 HydrophobicContact CG-CD1 4.35Å
152I98.1Very high97.4Very high0 Ų024.3 Ų24.30%012%0.119CC..EExtended strand (participates in β ladder)trans-86.4105.3173-57166.7000108W58 I124 V143 L144 T147 V149 I155 K176W58-I152 HydrophobicContact CZ2-CD1 4.32Å; I124-I152 HydrophobicContact CD1-CG1 4.19Å; I124-I152 HydrophobicContact CD1-CG2 4.28Å; V143-I152 HydrophobicContact CG1-CD1 4.3Å; L144-I152 HydrophobicContact CD2-CD1 4.36Å; T147-I152 HydrophobicContact CG2-CD1 4.09Å; T147-I152 HydrophobicContact CG2-CG1 3.65Å; V149-I152 PolarHBondContact O-N 3.14Å; I152-I155 HydrophobicContact CG2-CG1 4.03Å; I152-K176 HydrophobicContact CB-CD 4.16Å; I152-K176 HydrophobicContact CG2-CB 4.36Å; I152-K176 HydrophobicContact CG2-CD 3.81Å; I152-K176 VanDerWaalsContact O-CD 3.3Å; I152-K176 WeakPolarHBondContact O-CD 3.49Å; I152-K176 PolarHBondContact O-NZ 3.37Å
153H98.4Very high97.3Very high86 Ų8630.1 Ų30.140%0.39815%0.15SC..EExtended strand (participates in β ladder)trans-74.1-50.1169.5-172.372.1000110.4A121 T122 L151 R200 A201A121-H153 HydrophobicContact CB-CB 4.13Å; T122-H153 WeakPolarHBondContact O-CB 3.39Å; T122-H153 PolarHBondContact O-N 2.93Å; L151-H153 PolarHBondContact O-N 3.32Å; H153-R200 VanDerWaalsContact NE2-CB 3.35Å; H153-R200 WeakPolarHBondContact NE2-CB 3.44Å; H153-A201 HydrophobicContact CB-CB 3.73Å
154E98.6Very high97Very high3 Ų331.8 Ų31.81%0.01416%0.159CC..EExtended strand (participates in β ladder)trans-162.7156.6179.561.1-167.4151.500110.5S123 I124 I156 K178 R200S123-E154 WeakPolarHBondContact OG-CG 3.18Å; S123-E154 PolarHBondContact OG-OE1 2.89Å; I124-E154 PolarHBondContact N-O 3.1Å; E154-I156 HydrophobicContact CG-CD1 4.13Å; E154-I156 HydrophobicContact CG-CG1 3.97Å; E154-K178 WeakPolarHBondContact OE2-CD 3.13Å; E154-K178 WeakPolarHBondContact OE2-CE 3.11Å; E154-K178 IonicContact OE2-NZ 3.64Å; E154-K178 PolarHBondContact OE2-NZ 3.4Å; E154-R200 WeakPolarHBondContact OE1-CB 3.27Å; E154-R200 PolarHBondContact OE1-N 3.31Å
155I98.8Very high96.7Very high0 Ų036.3 Ų36.30%018%0.18CC..EExtended strand (participates in β ladder)trans-112.4113.3168.7-57178.7000107.4I124 I126 I140 V143 L144 I152 L157 K176 V177 K178I124-I155 HydrophobicContact CB-CG1 4.34Å; I124-I155 HydrophobicContact CD1-CG1 4.38Å; I124-I155 CarbonylContact O-C 3.49Å; I124-I155 WeakPolarHBondContact O-CA 3.46Å; I126-I155 HydrophobicContact CD1-CG2 4.01Å; I140-I155 HydrophobicContact CG2-CD1 4.3Å; V143-I155 HydrophobicContact CB-CD1 4.42Å; V143-I155 HydrophobicContact CG1-CD1 3.85Å; L144-I155 HydrophobicContact CD2-CD1 3.62Å; L144-I155 HydrophobicContact CG-CD1 3.99Å; I152-I155 HydrophobicContact CG2-CG1 4.03Å; I155-L157 HydrophobicContact CG2-CD2 3.96Å; I155-K176 PolarHBondContact N-O 2.9Å; I155-V177 HydrophobicContact CB-CG2 4.23Å; I155-V177 HydrophobicContact CD1-CG2 4.37Å; I155-V177 CarbonylContact O-C 3.55Å; I155-V177 WeakPolarHBondContact O-CA 3.48Å; I155-K178 PolarHBondContact O-N 3.13Å
156I98.9Very high96.6Very high2 Ų234.4 Ų34.41%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-100.3106.7179.8-59173.1000108.3I124 I125 I126 E154 V158 L180 A198 A199I124-I156 PolarHBondContact O-N 2.81Å; I125-I156 WeakPolarHBondContact CA-O 3.06Å; I125-I156 HydrophobicContact CG1-CB 4.42Å; I126-I156 PolarHBondContact N-O 3.32Å; E154-I156 HydrophobicContact CG-CD1 4.13Å; E154-I156 HydrophobicContact CG-CG1 3.97Å; I156-V158 HydrophobicContact CG2-CG2 3.99Å; I156-L180 HydrophobicContact CG2-CD1 3.45Å; I156-L180 VanDerWaalsContact CG2-CD1 3.45Å; I156-L180 HydrophobicContact CG2-CG 3.94Å; I156-A198 HydrophobicContact CD1-CB 4.35Å; I156-A199 HydrophobicContact CD1-CB 3.97Å
157L98.8Very high96.5Very high0 Ų032.3 Ų32.30%017%0.165CC..EExtended strand (participates in β ladder)trans-83.9119.1169.7-53.5-176000108.7I126 F128 I140 I155 L171 V177 K178 L180I126-L157 HydrophobicContact CB-CD2 3.86Å; I126-L157 HydrophobicContact CD1-CD2 4.07Å; I126-L157 HydrophobicContact CG1-CD2 4.49Å; I126-L157 HydrophobicContact CG2-CD2 4.34Å; I126-L157 CarbonylContact O-C 3.59Å; I126-L157 WeakPolarHBondContact O-CA 3.11Å; F128-L157 HydrophobicContact CE1-CB 4.2Å; I140-L157 HydrophobicContact CD1-CD1 3.66Å; I140-L157 HydrophobicContact CD1-CD2 3.82Å; I140-L157 HydrophobicContact CD1-CG 4.35Å; I140-L157 HydrophobicContact CG1-CD2 4.07Å; I155-L157 HydrophobicContact CG2-CD2 3.96Å; L157-L171 HydrophobicContact CD1-CB 3.79Å; L157-L171 HydrophobicContact CD1-CD1 3.61Å; L157-L171 HydrophobicContact CD1-CG 4.37Å; L157-V177 HydrophobicContact CD1-CG1 3.6Å; L157-V177 HydrophobicContact CG-CG1 3.83Å; L157-K178 PolarHBondContact N-O 2.92Å; L157-L180 PolarHBondContact O-N 3.18Å
158V98.8Very high96.3Very high0 Ų031.9 Ų31.90%016%0.163CC..EExtended strand (participates in β ladder)trans-104.5102.3173.7-168.40000108.8I125 I126 T127 F128 I156 D160 L180I125-V158 HydrophobicContact CG2-CG2 4.24Å; I126-V158 PolarHBondContact O-N 3.19Å; T127-V158 WeakPolarHBondContact CA-O 3.25Å; T127-V158 HydrophobicContact CG2-CB 4.02Å; T127-V158 HydrophobicContact CG2-CG2 4.31Å; F128-V158 PolarHBondContact N-O 3.17Å; I156-V158 HydrophobicContact CG2-CG2 3.99Å; V158-D160 PolarHBondContact O-N 3.36Å; V158-L180 CarbonylContact C-O 3.49Å; V158-L180 VanDerWaalsContact CA-O 3.26Å; V158-L180 WeakPolarHBondContact CA-O 3.37Å
159D98.6Very high96.3Very high0 Ų034.4 Ų34.40%017%0.17CC..EExtended strand (participates in β ladder)trans-80.1104.8175.9176.17.6000109.5F128 F161 S162 C168 L180 R181 N182F128-D159 HydrophobicContact CE1-CB 3.77Å; F128-D159 HydrophobicContact CE2-CB 4.34Å; F128-D159 HydrophobicContact CZ-CB 3.68Å; D159-F161 PolarHBondContact O-N 3.27Å; D159-F161 PolarHBondContact OD1-N 2.79Å; D159-S162 WeakPolarHBondContact OD1-CB 3.45Å; D159-S162 PolarHBondContact OD1-N 2.98Å; D159-S162 PolarHBondContact OD1-OG 3Å; D159-C168 HydrophobicContact CB-CB 3.86Å; D159-L180 PolarHBondContact N-O 3.48Å; D159-R181 HydrophobicContact CB-CB 4.26Å; D159-R181 HydrophobicContact CB-CG 4.29Å; D159-R181 WeakPolarHBondContact O-CA 3.49Å; D159-R181 IonicContact OD1-NH1 3.22Å; D159-R181 PolarHBondContact OD1-NH1 3.4Å; D159-R181 IonicContact OD2-CZ 3.57Å; D159-R181 IonicContact OD2-NH1 2.75Å; D159-R181 PolarHBondContact OD2-NH1 2.84Å; D159-N182 PolarHBondContact O-N 3.38Å
160D98.2Very high96.4Very high7 Ų736.2 Ų36.24%0.03718%0.178CC..  trans-81.362.6179.9-174.738.5000111.7F128 H129 V158 N182 R185 E186 G187 S191F128-D160 WeakPolarHBondContact O-CB 3.15Å; F128-D160 PolarHBondContact O-N 3.02Å; H129-D160 HydrophobicContact CB-CB 4.28Å; H129-D160 PolarHBondContact ND1-O 3.24Å; V158-D160 PolarHBondContact O-N 3.36Å; D160-N182 PolarHBondContact OD1-ND2 3.35Å; D160-R185 IonicContact OD2-NE 3.21Å; D160-E186 WeakPolarHBondContact OD1-CA 3.36Å; D160-E186 PolarHBondContact OD1-N 2.89Å; D160-G187 VanDerWaalsContact CG-N 3.3Å; D160-G187 PolarHBondContact OD1-N 2.89Å; D160-G187 VanDerWaalsContact OD1-N 3.17Å; D160-G187 WeakPolarHBondContact OD2-CA 3.43Å; D160-G187 PolarHBondContact OD2-N 3.37Å; D160-S191 WeakPolarHBondContact CB-OG 3.41Å; D160-S191 PolarHBondContact OD1-OG 2.87Å
161F97.4Very high96.4Very high85 Ų8530.6 Ų30.637%0.37315%0.153SC..SBendtrans59.849.5175.1-165.8-111.8000113H129 D159 N183 K184 R185H129-F161 PolarHBondContact CE1-O 2.79Å; H129-F161 VanDerWaalsContact CE1-O 3.26Å; H129-F161 PolarHBondContact ND1-O 2.87Å; D159-F161 PolarHBondContact O-N 3.27Å; D159-F161 PolarHBondContact OD1-N 2.79Å; F161-N183 WeakPolarHBondContact CE2-O 3.43Å; F161-K184 WeakPolarHBondContact CB-O 3.41Å; F161-R185 HydrophobicContact CB-CB 4.37Å; F161-R185 HydrophobicContact CD1-CB 4.17Å
162S97.1Very high96.4Very high1 Ų133.7 Ų33.71%0.00717%0.172CC..  trans-63.3153169.8-55.30000110.9N130 D159 N164 R181N130-S162 PolarHBondContact N-OG 2.95Å; N130-S162 WeakPolarHBondContact OD1-CA 3.26Å; N130-S162 WeakPolarHBondContact OD1-CB 3.23Å; D159-S162 WeakPolarHBondContact OD1-CB 3.45Å; D159-S162 PolarHBondContact OD1-N 2.98Å; D159-S162 PolarHBondContact OD1-OG 3Å; S162-N164 PolarHBondContact O-N 2.88Å; S162-R181 PolarHBondContact O-NH1 2.71Å; S162-R181 PolarHBondContact O-NH2 3.36Å
163N94.8Very high96.2Very high123 Ų12340.9 Ų40.966%0.65820%0.203SC*.SBendtrans-64.8-21.9-179.1-64.3-17.3000112.4N130N130-N163 PolarHBondContact OD1-N 2.64Å
164N93.1Very high96.1Very high36 Ų3637 Ų3719%0.19319%0.185CC..  trans-124.9108.8-178.1-1776.7000111R133 S162 S166 D167R133-N164 PolarHBondContact NH2-ND2 2.97Å; S162-N164 PolarHBondContact O-N 2.88Å; N164-S166 VanDerWaalsContact CG-OG 3.26Å; N164-S166 PolarHBondContact ND2-OG 3.12Å; N164-S166 PolarHBondContact O-N 3.49Å; N164-S166 PolarHBondContact OD1-N 2.87Å; N164-S166 PolarHBondContact OD1-OG 3.41Å; N164-D167 PolarHBondContact ND2-OD1 3.13Å; N164-D167 WeakPolarHBondContact O-CB 3.45Å; N164-D167 PolarHBondContact O-N 3.42Å
165E91.1Very high95.9Very high97 Ų9737.1 Ų37.145%0.45319%0.186SC..THydrogen-bonded Turntrans-66.2-26.6-176.5-34.3-153.9130.800112.4D167 C168 Q169 R181E165-D167 PolarHBondContact O-N 3.13Å; E165-C168 PolarHBondContact O-N 3.41Å; E165-Q169 WeakPolarHBondContact O-CG 3.23Å; E165-Q169 PolarHBondContact O-N 2.84Å; E165-R181 VanDerWaalsContact CD-NE 3.27Å; E165-R181 IonicContact OE1-CZ 2.71Å; E165-R181 VanDerWaalsContact OE1-CZ 3.28Å; E165-R181 IonicContact OE1-NE 2.88Å; E165-R181 PolarHBondContact OE1-NE 2.61Å; E165-R181 IonicContact OE1-NH2 3.53Å; E165-R181 PolarHBondContact OE1-NH2 3.01Å
166S93.9Very high95.7Very high32 Ų3240 Ų4022%0.22420%0.199CC..Hα-helixtrans-68.6-17.9-179.569.50000113.2R133 N164 C168 L170R133-S166 PolarHBondContact NH2-OG 3.04Å; N164-S166 VanDerWaalsContact CG-OG 3.26Å; N164-S166 PolarHBondContact ND2-OG 3.12Å; N164-S166 PolarHBondContact O-N 3.49Å; N164-S166 PolarHBondContact OD1-N 2.87Å; N164-S166 PolarHBondContact OD1-OG 3.41Å; S166-C168 PolarHBondContact O-N 2.9Å; S166-L170 WeakPolarHBondContact O-CB 3.48Å; S166-L170 VanDerWaalsContact O-CG 3.27Å; S166-L170 WeakPolarHBondContact O-CG 3.44Å; S166-L170 PolarHBondContact O-N 2.97Å
167D92.8Very high95.7Very high8 Ų840.4 Ų40.44%0.04320%0.201CC..Hα-helixtrans-59.6-38.8176.5-65.2-13.8000110.6Y70 F128 R133 N164 E165 L171Y70-D167 PolarHBondContact OH-O 3.37Å; F128-D167 HydrophobicContact CE2-CB 4.25Å; R133-D167 IonicContact CZ-OD1 3.17Å; R133-D167 IonicContact NE-OD1 2.67Å; R133-D167 PolarHBondContact NE-OD1 2.9Å; R133-D167 IonicContact NH2-OD1 3.32Å; R133-D167 PolarHBondContact NH2-OD1 3.3Å; N164-D167 PolarHBondContact ND2-OD1 3.13Å; N164-D167 WeakPolarHBondContact O-CB 3.45Å; N164-D167 PolarHBondContact O-N 3.42Å; E165-D167 PolarHBondContact O-N 3.13Å; D167-L171 WeakPolarHBondContact O-CD1 3.38Å; D167-L171 WeakPolarHBondContact O-CG 3.47Å
168C94.3Very high95.7Very high0 Ų044 Ų440%022%0.217CC..Hα-helixtrans-87.7-46.8177.4-165.70000112.7F128 D159 E165 S166 L170 L171 C179F128-C168 HydrophobicContact CE1-CB 4.17Å; F128-C168 HydrophobicContact CZ-CB 3.71Å; D159-C168 HydrophobicContact CB-CB 3.86Å; E165-C168 PolarHBondContact O-N 3.41Å; S166-C168 PolarHBondContact O-N 2.9Å; C168-L170 PolarHBondContact O-N 2.9Å; C168-L171 PolarHBondContact O-N 2.8Å; C168-C179 HydrophobicContact CB-CB 4.15Å; C168-C179 WeakPolarHBondContact CB-SG 3.46Å; C168-C179 VanDerWaalsContact SG-CA 3.54Å; C168-C179 WeakPolarHBondContact SG-CB 3.33Å; C168-C179 CovalentContact SG-SG 2.02Å; C168-C179 PolarHBondContact SG-SG 3.27Å
169Q94.3Very high95.6Very high103 Ų10345.7 Ų45.748%0.48123%0.228SC..Hα-helixtrans-63.5-40.5-171.2-70.2174.6-5.200112.4E165 L171 T172E165-Q169 WeakPolarHBondContact O-CG 3.23Å; E165-Q169 PolarHBondContact O-N 2.84Å; Q169-L171 PolarHBondContact O-N 2.69Å; Q169-T172 WeakPolarHBondContact O-CB 3.47Å; Q169-T172 WeakPolarHBondContact O-CG2 3.43Å; Q169-T172 PolarHBondContact O-N 3.49Å; Q169-T172 PolarHBondContact O-OG1 2.96Å
170L95.4Very high95.6Very high57 Ų5747.7 Ų47.730%0.29824%0.239SC..G310 helixtrans-64.6-32.2-179.1-68173.2000112.1F65 Y70 S166 C168 T172 K173F65-L170 WeakPolarHBondContact CE2-O 3.18Å; Y70-L170 HydrophobicContact CD2-CB 3.91Å; Y70-L170 HydrophobicContact CD2-CD1 4Å; Y70-L170 HydrophobicContact CE2-CB 4.24Å; S166-L170 WeakPolarHBondContact O-CB 3.48Å; S166-L170 VanDerWaalsContact O-CG 3.27Å; S166-L170 WeakPolarHBondContact O-CG 3.44Å; S166-L170 PolarHBondContact O-N 2.97Å; C168-L170 PolarHBondContact O-N 2.9Å; L170-T172 PolarHBondContact O-N 3.31Å; L170-K173 WeakPolarHBondContact O-CB 3.27Å; L170-K173 WeakPolarHBondContact O-CG 3.4Å; L170-K173 PolarHBondContact O-N 2.82Å
171L96.5Very high95.6Very high0 Ų049.3 Ų49.30%024%0.244CC..G310 helixtrans-69.6-15.2179.2-66169000113.3F65 Y70 L136 L137 I140 L157 D167 C168 Q169 K173 L174 V177F65-L171 HydrophobicContact CE2-CD2 4.45Å; F65-L171 HydrophobicContact CZ-CD2 3.93Å; Y70-L171 HydrophobicContact CE1-CD2 4.04Å; Y70-L171 HydrophobicContact CE2-CD2 4.1Å; Y70-L171 HydrophobicContact CE2-CG 3.98Å; Y70-L171 WeakPolarHBondContact OH-CD1 3.37Å; L136-L171 HydrophobicContact CD2-CD1 3.57Å; L136-L171 HydrophobicContact CG-CD1 3.79Å; L137-L171 HydrophobicContact CD1-CD2 3.87Å; I140-L171 HydrophobicContact CD1-CB 4.43Å; I140-L171 HydrophobicContact CD1-CD1 3.61Å; I140-L171 HydrophobicContact CD1-CD2 4.11Å; I140-L171 HydrophobicContact CD1-CG 4.28Å; L157-L171 HydrophobicContact CD1-CB 3.79Å; L157-L171 HydrophobicContact CD1-CD1 3.61Å; L157-L171 HydrophobicContact CD1-CG 4.37Å; D167-L171 WeakPolarHBondContact O-CD1 3.38Å; D167-L171 WeakPolarHBondContact O-CG 3.47Å; C168-L171 PolarHBondContact O-N 2.8Å; Q169-L171 PolarHBondContact O-N 2.69Å; L171-K173 PolarHBondContact O-N 2.91Å; L171-L174 HydrophobicContact CD2-CD1 3.89Å; L171-L174 WeakPolarHBondContact O-CB 3.25Å; L171-L174 PolarHBondContact O-N 3.13Å; L171-V177 HydrophobicContact CB-CG1 4.34Å; L171-V177 WeakPolarHBondContact O-CB 3.45Å; L171-V177 WeakPolarHBondContact O-CG1 3.38Å
172T95.8Very high95.6Very high68 Ų6845.5 Ų45.542%0.41723%0.228SC..G310 helixtrans-66.2-13.2174.665.50000113.5Q169 L170 L174 C179Q169-T172 WeakPolarHBondContact O-CB 3.47Å; Q169-T172 WeakPolarHBondContact O-CG2 3.43Å; Q169-T172 PolarHBondContact O-N 3.49Å; Q169-T172 PolarHBondContact O-OG1 2.96Å; L170-T172 PolarHBondContact O-N 3.31Å; T172-L174 PolarHBondContact O-N 3.39Å; T172-C179 HydrophobicContact CG2-CB 3.5Å
173K94.8Very high95.6Very high150 Ų15052.7 Ų52.765%0.65227%0.266SS*.G310 helixtrans-70.9-18.3171-63.4-178.9-178.8-175.40112.8F65 L170 L171F65-K173 HydrophobicContact CD2-CB 4.07Å; L170-K173 WeakPolarHBondContact O-CB 3.27Å; L170-K173 WeakPolarHBondContact O-CG 3.4Å; L170-K173 PolarHBondContact O-N 2.82Å; L171-K173 PolarHBondContact O-N 2.91Å
174L95.4Very high95.7Very high4 Ų452.8 Ų52.82%0.02126%0.261CS..SBendtrans-76.4147.6173.2-69.2165.8000110.4F65 L137 I140 L144 L171 T172 K176 V177F65-L174 HydrophobicContact CB-CD2 3.62Å; F65-L174 HydrophobicContact CB-CG 4.37Å; F65-L174 HydrophobicContact CD1-CD2 4.15Å; F65-L174 HydrophobicContact CD2-CD2 4.06Å; F65-L174 HydrophobicContact CD2-CG 3.87Å; F65-L174 HydrophobicContact CE2-CG 4.28Å; F65-L174 HydrophobicContact CG-CD2 3.68Å; F65-L174 HydrophobicContact CG-CG 4.01Å; L137-L174 HydrophobicContact CD1-CD1 3.88Å; I140-L174 HydrophobicContact CG2-CD1 3.82Å; L144-L174 HydrophobicContact CD1-CB 4.33Å; L171-L174 HydrophobicContact CD2-CD1 3.89Å; L171-L174 WeakPolarHBondContact O-CB 3.25Å; L171-L174 PolarHBondContact O-N 3.13Å; T172-L174 PolarHBondContact O-N 3.39Å; L174-K176 PolarHBondContact O-N 3.12Å; L174-V177 HydrophobicContact CB-CB 4.24Å; L174-V177 HydrophobicContact CB-CG2 3.66Å; L174-V177 PolarHBondContact O-N 3.31Å
175P94.8Very high95.8Very high6 Ų653.6 Ų53.64%0.03926%0.261CS..THydrogen-bonded Turntrans-62.5139.7-176.826.3-35.3000111.8W58 M61 L62 L144 V177W58-P175 HydrophobicContact CE3-CB 4.06Å; W58-P175 HydrophobicContact CE3-CG 4.23Å; W58-P175 HydrophobicContact CH2-CB 3.81Å; W58-P175 HydrophobicContact CH2-CG 3.83Å; W58-P175 HydrophobicContact CZ2-CG 4.21Å; W58-P175 HydrophobicContact CZ3-CB 3.48Å; W58-P175 VanDerWaalsContact CZ3-CB 3.48Å; W58-P175 HydrophobicContact CZ3-CG 3.87Å; M61-P175 HydrophobicContact CB-CB 4.25Å; M61-P175 HydrophobicContact CB-CG 4.18Å; M61-P175 HydrophobicContact CE-CB 3.74Å; M61-P175 HydrophobicContact SD-CB 4.16Å; L62-P175 HydrophobicContact CD2-CG 3.74Å; L62-P175 HydrophobicContact CG-CG 4.3Å; L144-P175 HydrophobicContact CD1-CG 4.47Å; L144-P175 HydrophobicContact CD2-CG 4.45Å; P175-V177 PolarHBondContact O-N 2.94Å
176K96Very high96.1Very high61 Ų6151.1 Ų51.127%0.26525%0.25SC..THydrogen-bonded Turntrans61.37.1179.4-55.6-172.1178.3-173.10115.6W58 V149 I152 I155 L174W58-K176 HydrophobicContact CH2-CB 4.48Å; W58-K176 HydrophobicContact CH2-CD 3.78Å; W58-K176 HydrophobicContact CH2-CG 3.92Å; W58-K176 HydrophobicContact CZ3-CD 3.93Å; W58-K176 HydrophobicContact CZ3-CG 3.93Å; V149-K176 PolarHBondContact O-NZ 2.98Å; I152-K176 HydrophobicContact CB-CD 4.16Å; I152-K176 HydrophobicContact CG2-CB 4.36Å; I152-K176 HydrophobicContact CG2-CD 3.81Å; I152-K176 VanDerWaalsContact O-CD 3.3Å; I152-K176 WeakPolarHBondContact O-CD 3.49Å; I152-K176 PolarHBondContact O-NZ 3.37Å; I155-K176 PolarHBondContact N-O 2.9Å; L174-K176 PolarHBondContact O-N 3.12Å
177V98Very high96.2Very high10 Ų1049.7 Ų49.76%0.06124%0.239CC..EExtended strand (participates in β ladder)trans-88.6129.1179.4-178.50000111.2I140 I155 L157 L171 L174 P175I140-V177 HydrophobicContact CG2-CG2 3.91Å; I155-V177 HydrophobicContact CB-CG2 4.23Å; I155-V177 HydrophobicContact CD1-CG2 4.37Å; I155-V177 CarbonylContact O-C 3.55Å; I155-V177 WeakPolarHBondContact O-CA 3.48Å; L157-V177 HydrophobicContact CD1-CG1 3.6Å; L157-V177 HydrophobicContact CG-CG1 3.83Å; L171-V177 HydrophobicContact CB-CG1 4.34Å; L171-V177 WeakPolarHBondContact O-CB 3.45Å; L171-V177 WeakPolarHBondContact O-CG1 3.38Å; L174-V177 HydrophobicContact CB-CB 4.24Å; L174-V177 HydrophobicContact CB-CG2 3.66Å; L174-V177 PolarHBondContact O-N 3.31Å; P175-V177 PolarHBondContact O-N 2.94Å
178K98.2Very high96.4Very high77 Ų7750.5 Ų50.534%0.33524%0.244SC..EExtended strand (participates in β ladder)trans-120.1143.6174-64.9179-176.1169.80109.8E154 I155 L157E154-K178 WeakPolarHBondContact OE2-CD 3.13Å; E154-K178 WeakPolarHBondContact OE2-CE 3.11Å; E154-K178 IonicContact OE2-NZ 3.64Å; E154-K178 PolarHBondContact OE2-NZ 3.4Å; I155-K178 PolarHBondContact O-N 3.13Å; L157-K178 PolarHBondContact N-O 2.92Å
179C98.1Very high96.5Very high35 Ų3550.6 Ų50.624%0.23624%0.244CC..EExtended strand (participates in β ladder)trans-109.5127.5176177.40000110.9C168 T172C168-C179 HydrophobicContact CB-CB 4.15Å; C168-C179 WeakPolarHBondContact CB-SG 3.46Å; C168-C179 VanDerWaalsContact SG-CA 3.54Å; C168-C179 WeakPolarHBondContact SG-CB 3.33Å; C168-C179 CovalentContact SG-SG 2.02Å; C168-C179 PolarHBondContact SG-SG 3.27Å; T172-C179 HydrophobicContact CG2-CB 3.5Å
180L98.2Very high96.7Very high42 Ų4248.3 Ų48.322%0.2223%0.231CC..EExtended strand (participates in β ladder)trans-121106.8171.4-61.3-178.5000109.1I156 L157 V158 D159 A198I156-L180 HydrophobicContact CG2-CD1 3.45Å; I156-L180 VanDerWaalsContact CG2-CD1 3.45Å; I156-L180 HydrophobicContact CG2-CG 3.94Å; L157-L180 PolarHBondContact O-N 3.18Å; V158-L180 CarbonylContact C-O 3.49Å; V158-L180 VanDerWaalsContact CA-O 3.26Å; V158-L180 WeakPolarHBondContact CA-O 3.37Å; D159-L180 PolarHBondContact N-O 3.48Å; L180-A198 HydrophobicContact CD1-CB 3.47Å; L180-A198 VanDerWaalsContact CD1-CB 3.47Å
181R97.9Very high96.9Very high41 Ų4145.6 Ų45.616%0.15522%0.217CC..EExtended strand (participates in β ladder)trans-96.5130.8180-177.9169.7168.976.91.2111.9D159 S162 E165 R194D159-R181 HydrophobicContact CB-CB 4.26Å; D159-R181 HydrophobicContact CB-CG 4.29Å; D159-R181 WeakPolarHBondContact O-CA 3.49Å; D159-R181 IonicContact OD1-NH1 3.22Å; D159-R181 PolarHBondContact OD1-NH1 3.4Å; D159-R181 IonicContact OD2-CZ 3.57Å; D159-R181 IonicContact OD2-NH1 2.75Å; D159-R181 PolarHBondContact OD2-NH1 2.84Å; S162-R181 PolarHBondContact O-NH1 2.71Å; S162-R181 PolarHBondContact O-NH2 3.36Å; E165-R181 VanDerWaalsContact CD-NE 3.27Å; E165-R181 IonicContact OE1-CZ 2.71Å; E165-R181 VanDerWaalsContact OE1-CZ 3.28Å; E165-R181 IonicContact OE1-NE 2.88Å; E165-R181 PolarHBondContact OE1-NE 2.61Å; E165-R181 IonicContact OE1-NH2 3.53Å; E165-R181 PolarHBondContact OE1-NH2 3.01Å; R181-R194 PolarHBondContact O-NH1 3.18Å; R181-R194 PolarHBondContact O-NH2 3.44Å
182N98.1Very high97Very high5 Ų545.7 Ų45.73%0.02722%0.217CC..  trans-76.4140.3170.4-65.5-20.9000110.5D159 D160 K184 E186 S191 R194D159-N182 PolarHBondContact O-N 3.38Å; D160-N182 PolarHBondContact OD1-ND2 3.35Å; N182-K184 VanDerWaalsContact CB-O 3.27Å; N182-K184 WeakPolarHBondContact CB-O 3.47Å; N182-K184 PolarHBondContact O-N 3.43Å; N182-E186 HydrophobicContact CB-CG 4.23Å; N182-S191 PolarHBondContact ND2-OG 2.85Å; N182-R194 VanDerWaalsContact OD1-CD 3.28Å; N182-R194 WeakPolarHBondContact OD1-CD 3.29Å; N182-R194 PolarHBondContact OD1-NH1 3.37Å
183N96.8Very high97.1Very high151 Ų15143 Ų4381%0.80720%0.201SC*.SBendtrans-81-7.2178.9-62.5-13000112.9F161F161-N183 WeakPolarHBondContact CE2-O 3.43Å
184K96.3Very high97.3Very high125 Ų12540.4 Ų40.454%0.54319%0.187SC..SBendtrans-152.2163.4174.565.1179.9-1771780109.2F161 N182 E186F161-K184 WeakPolarHBondContact CB-O 3.41Å; N182-K184 VanDerWaalsContact CB-O 3.27Å; N182-K184 WeakPolarHBondContact CB-O 3.47Å; N182-K184 PolarHBondContact O-N 3.43Å; K184-E186 VanDerWaalsContact CE-CD 3.43Å; K184-E186 WeakPolarHBondContact CE-OE1 3.49Å; K184-E186 HydrophobicContact CG-CG 4.29Å; K184-E186 IonicContact NZ-OE1 2.92Å; K184-E186 PolarHBondContact O-N 3.34Å
185R96.1Very high97.5Very high53 Ų5340.2 Ų40.220%0.219%0.186CC..  trans-67.4102.9175.5-171.9103.2-178.1-89.2-8.2110H129 D160 F161 I313 V351H129-R185 VanDerWaalsContact CD2-CZ 3.49Å; H129-R185 PolarHBondContact CD2-NE 2.87Å; H129-R185 WeakPolarHBondContact CE1-CD 3.32Å; H129-R185 PolarHBondContact CE1-NE 3.35Å; H129-R185 WeakPolarHBondContact ND1-CD 2.76Å; H129-R185 PolarHBondContact ND1-NE 2.85Å; H129-R185 PolarHBondContact NE2-NE 3.44Å; D160-R185 IonicContact OD2-NE 3.21Å; F161-R185 HydrophobicContact CB-CB 4.37Å; F161-R185 HydrophobicContact CD1-CB 4.17Å; R185-I313 HydrophobicContact CG-CD1 3.98Å; R185-V351 PolarHBondContact NH1-O 2.84Å; R185-V351 PolarHBondContact NH2-O 3.01Å
186E96.9Very high97.6Very high46 Ų4640.1 Ų40.122%0.21519%0.185CC..  trans-94.1-27.1-179.4-67-69-175.300112.4D160 N182 K184 R190D160-E186 WeakPolarHBondContact OD1-CA 3.36Å; D160-E186 PolarHBondContact OD1-N 2.89Å; N182-E186 HydrophobicContact CB-CG 4.23Å; K184-E186 VanDerWaalsContact CE-CD 3.43Å; K184-E186 WeakPolarHBondContact CE-OE1 3.49Å; K184-E186 HydrophobicContact CG-CG 4.29Å; K184-E186 IonicContact NZ-OE1 2.92Å; K184-E186 PolarHBondContact O-N 3.34Å; E186-R190 HydrophobicContact CB-CB 3.89Å; E186-R190 PolarHBondContact O-NE 2.9Å; E186-R190 PolarHBondContact O-NH2 3.4Å; E186-R190 WeakPolarHBondContact OE2-CD 3.15Å; E186-R190 IonicContact OE2-CZ 2.7Å; E186-R190 IonicContact OE2-NE 3.56Å; E186-R190 PolarHBondContact OE2-NE 3.5Å
187G96.3Very high97.8Very high1 Ų141.3 Ų41.31%0.0120%0.195CC..BIsolated β-bridgetrans91.9169.4-173.800000113.8D160 I189 S191D160-G187 VanDerWaalsContact CG-N 3.3Å; D160-G187 PolarHBondContact OD1-N 2.89Å; D160-G187 VanDerWaalsContact OD1-N 3.17Å; D160-G187 WeakPolarHBondContact OD2-CA 3.43Å; D160-G187 PolarHBondContact OD2-N 3.37Å; G187-I189 PolarHBondContact O-N 2.93Å; G187-S191 WeakPolarHBondContact O-CB 3.34Å; G187-S191 PolarHBondContact O-N 3.42Å; G187-S191 VanDerWaalsContact O-N 3.07Å; G187-S191 PolarHBondContact O-OG 2.71Å
188L96.1Very high97.8Very high26 Ų2642.9 Ų42.914%0.13621%0.209CC..Hα-helixtrans-54.8-49.2-177.7177.662.3000112T127 S191 R192 I313T127-L188 WeakPolarHBondContact OG1-CD1 3.3Å; L188-S191 PolarHBondContact O-N 2.72Å; L188-R192 HydrophobicContact CD1-CG 4.13Å; L188-R192 VanDerWaalsContact CD1-NE 3.35Å; L188-R192 WeakPolarHBondContact O-CB 3.5Å; L188-R192 WeakPolarHBondContact O-CG 3.09Å; L188-R192 PolarHBondContact O-N 2.88Å; L188-I313 VanDerWaalsContact CB-O 3.25Å; L188-I313 WeakPolarHBondContact CB-O 3.22Å; L188-I313 PolarHBondContact N-O 2.85Å
189I97.3Very high97.8Very high1 Ų139.3 Ų39.31%0.00519%0.194CC..Hα-helixtrans-62-55.9-170.9-58.891.3000110.9G187 S191 R192 V193 Y307 M311 E317G187-I189 PolarHBondContact O-N 2.93Å; I189-S191 VanDerWaalsContact C-N 3.32Å; I189-S191 PolarHBondContact O-N 3.37Å; I189-R192 PolarHBondContact O-N 3.31Å; I189-V193 WeakPolarHBondContact O-CG2 3.35Å; I189-V193 PolarHBondContact O-N 2.86Å; I189-V193 VanDerWaalsContact O-N 3.11Å; I189-Y307 VanDerWaalsContact CG2-CB 3.45Å; I189-Y307 HydrophobicContact CG2-CD1 4.46Å; I189-Y307 HydrophobicContact CG2-CD2 4.49Å; I189-Y307 HydrophobicContact CG2-CG 3.94Å; I189-M311 HydrophobicContact CD1-CB 4.14Å; I189-M311 HydrophobicContact CG1-CB 4.08Å; I189-M311 HydrophobicContact CG2-CB 4.43Å; I189-E317 HydrophobicContact CG1-CB 3.7Å; I189-E317 HydrophobicContact CG1-CG 4.02Å
190R98.4Very high97.8Very high56 Ų5645.8 Ų45.821%0.21121%0.213CC..Hα-helixtrans-66-35.3179.8-73.2-171.3-74-88.8-0.1111.9E186 V193 R194 T309 M311 D312E186-R190 HydrophobicContact CB-CB 3.89Å; E186-R190 PolarHBondContact O-NE 2.9Å; E186-R190 PolarHBondContact O-NH2 3.4Å; E186-R190 WeakPolarHBondContact OE2-CD 3.15Å; E186-R190 IonicContact OE2-CZ 2.7Å; E186-R190 IonicContact OE2-NE 3.56Å; E186-R190 PolarHBondContact OE2-NE 3.5Å; R190-V193 PolarHBondContact O-N 3.15Å; R190-R194 PolarHBondContact O-N 3.07Å; R190-T309 WeakPolarHBondContact CD-O 3.42Å; R190-T309 HydrophobicContact CG-CG2 4.42Å; R190-T309 WeakPolarHBondContact CG-O 3.41Å; R190-T309 PolarHBondContact NH1-O 2.84Å; R190-M311 PolarHBondContact NH1-O 3.45Å; R190-D312 IonicContact CZ-OD1 3.75Å; R190-D312 IonicContact NH1-OD1 3.17Å; R190-D312 PolarHBondContact NH1-OD1 3.39Å; R190-D312 IonicContact NH2-OD1 3.72Å; R190-D312 PolarHBondContact NH2-OD1 3.2Å
191S98.6Very high97.8Very high0 Ų044 Ų440%021%0.205CC..Hα-helixtrans-64.7-41.3175.2-61.40000112.5D160 N182 G187 L188 I189 R194 G195D160-S191 WeakPolarHBondContact CB-OG 3.41Å; D160-S191 PolarHBondContact OD1-OG 2.87Å; N182-S191 PolarHBondContact ND2-OG 2.85Å; G187-S191 WeakPolarHBondContact O-CB 3.34Å; G187-S191 PolarHBondContact O-N 3.42Å; G187-S191 VanDerWaalsContact O-N 3.07Å; G187-S191 PolarHBondContact O-OG 2.71Å; L188-S191 PolarHBondContact O-N 2.72Å; I189-S191 VanDerWaalsContact C-N 3.32Å; I189-S191 PolarHBondContact O-N 3.37Å; S191-R194 PolarHBondContact O-N 3.11Å; S191-G195 PolarHBondContact O-N 3.18Å
192R98.6Very high97.8Very high1 Ų147.6 Ų47.60%0.00422%0.223CC..Hα-helixtrans-64.6-41.1175.1-77.2-176.4177177.5-2.9112T127 L188 I189 G195 A196 F206 D208 G291 G292 Y307T127-R192 HydrophobicContact CG2-CB 4.32Å; T127-R192 HydrophobicContact CG2-CG 3.52Å; L188-R192 HydrophobicContact CD1-CG 4.13Å; L188-R192 VanDerWaalsContact CD1-NE 3.35Å; L188-R192 WeakPolarHBondContact O-CB 3.5Å; L188-R192 WeakPolarHBondContact O-CG 3.09Å; L188-R192 PolarHBondContact O-N 2.88Å; I189-R192 PolarHBondContact O-N 3.31Å; R192-G195 PolarHBondContact O-N 3.44Å; R192-A196 WeakPolarHBondContact O-CB 2.95Å; R192-A196 PolarHBondContact O-N 2.92Å; R192-F206 HydrophobicContact CB-CD1 4.2Å; R192-F206 HydrophobicContact CB-CE1 3.81Å; R192-F206 HydrophobicContact CG-CD1 3.87Å; R192-F206 HydrophobicContact CG-CE1 4.02Å; R192-D208 IonicContact NH2-OD1 3.38Å; R192-D208 PolarHBondContact NH2-OD1 3.47Å; R192-G291 PolarHBondContact NH1-O 3.19Å; R192-G291 PolarHBondContact NH2-O 3.26Å; R192-G292 PolarHBondContact NH2-O 3.36Å; R192-G292 VanDerWaalsContact NH2-O 3.08Å; R192-Y307 HydrophobicContact CB-CD2 4.45Å; R192-Y307 HydrophobicContact CB-CE2 4.33Å; R192-Y307 PolarHBondContact NH1-OH 2.8Å
193V98.6Very high97.9Very high13 Ų1347.3 Ų47.38%0.07922%0.222CC..Hα-helixtrans-61.2-45.3174.1171.90000110.9I189 R190 G195 A196 D197 K306 Y307 T309I189-V193 WeakPolarHBondContact O-CG2 3.35Å; I189-V193 PolarHBondContact O-N 2.86Å; I189-V193 VanDerWaalsContact O-N 3.11Å; R190-V193 PolarHBondContact O-N 3.15Å; V193-G195 VanDerWaalsContact C-N 3.34Å; V193-G195 PolarHBondContact O-N 2.99Å; V193-A196 PolarHBondContact O-N 3.49Å; V193-D197 WeakPolarHBondContact O-CB 3.46Å; V193-D197 VanDerWaalsContact O-CG 3.23Å; V193-D197 PolarHBondContact O-N 3.22Å; V193-K306 HydrophobicContact CG1-CD 3.89Å; V193-K306 HydrophobicContact CG2-CB 4.23Å; V193-Y307 HydrophobicContact CG2-CD2 4.31Å; V193-T309 HydrophobicContact CB-CG2 4.41Å; V193-T309 HydrophobicContact CG1-CG2 4.22Å; V193-T309 HydrophobicContact CG2-CG2 4.11Å
194R98.7Very high98Very high95 Ų9540.1 Ų40.136%0.35818%0.183SC..Hα-helixtrans-60-42.7175.7-175.3179.5-180-173.7-2.3112.4R181 N182 R190 S191 D197 A198R181-R194 PolarHBondContact O-NH1 3.18Å; R181-R194 PolarHBondContact O-NH2 3.44Å; N182-R194 VanDerWaalsContact OD1-CD 3.28Å; N182-R194 WeakPolarHBondContact OD1-CD 3.29Å; N182-R194 PolarHBondContact OD1-NH1 3.37Å; R190-R194 PolarHBondContact O-N 3.07Å; S191-R194 PolarHBondContact O-N 3.11Å; R194-D197 PolarHBondContact O-N 2.92Å; R194-A198 PolarHBondContact O-N 2.93Å; R194-A198 VanDerWaalsContact O-N 3.15Å
195G98.7Very high98.1Very high0 Ų034.2 Ų34.20%016%0.158CC..Hα-helixtrans-62.3-43.417500000112.4S191 R192 V193 D197 A198 A199S191-G195 PolarHBondContact O-N 3.18Å; R192-G195 PolarHBondContact O-N 3.44Å; V193-G195 VanDerWaalsContact C-N 3.34Å; V193-G195 PolarHBondContact O-N 2.99Å; G195-D197 VanDerWaalsContact C-N 3.32Å; G195-D197 PolarHBondContact O-N 3.24Å; G195-A198 PolarHBondContact O-N 3.31Å; G195-A199 PolarHBondContact O-N 3.37Å
196A98.7Very high98.2Very high3 Ų331.8 Ų31.83%0.02515%0.149CC..Hα-helixtrans-64.8-34.6177.300000112.8I125 R192 V193 A199 L204 F206 F301I125-A196 HydrophobicContact CD1-CB 4.16Å; R192-A196 WeakPolarHBondContact O-CB 2.95Å; R192-A196 PolarHBondContact O-N 2.92Å; V193-A196 PolarHBondContact O-N 3.49Å; A196-A199 WeakPolarHBondContact O-CB 3.42Å; A196-A199 PolarHBondContact O-N 2.75Å; A196-L204 HydrophobicContact CB-CD1 3.75Å; A196-F206 HydrophobicContact CB-CZ 4.3Å; A196-F301 HydrophobicContact CB-CD1 4.06Å; A196-F301 HydrophobicContact CB-CE1 3.6Å; A196-F301 HydrophobicContact CB-CZ 4.48Å
197D98.6Very high98.3Very high87 Ų8729.7 Ų29.747%0.46514%0.139SC..Hα-helixtrans-72.5-30.7178-71.4-8.2000112.5V193 R194 G195 K306V193-D197 WeakPolarHBondContact O-CB 3.46Å; V193-D197 VanDerWaalsContact O-CG 3.23Å; V193-D197 PolarHBondContact O-N 3.22Å; R194-D197 PolarHBondContact O-N 2.92Å; G195-D197 VanDerWaalsContact C-N 3.32Å; G195-D197 PolarHBondContact O-N 3.24Å; D197-K306 WeakPolarHBondContact OD1-CE 3.38Å; D197-K306 IonicContact OD1-NZ 3.45Å; D197-K306 PolarHBondContact OD1-NZ 2.86Å; D197-K306 IonicContact OD2-NZ 3.74Å; D197-K306 PolarHBondContact OD2-NZ 3.25Å
198A98.6Very high98.4Very high42 Ų4230.9 Ų30.935%0.34715%0.145SC..Hα-helixtrans-82.6-19.2174.600000113.5I156 L180 R194 G195I156-A198 HydrophobicContact CD1-CB 4.35Å; L180-A198 HydrophobicContact CD1-CB 3.47Å; L180-A198 VanDerWaalsContact CD1-CB 3.47Å; R194-A198 PolarHBondContact O-N 2.93Å; R194-A198 VanDerWaalsContact O-N 3.15Å; G195-A198 PolarHBondContact O-N 3.31Å
199A98.6Very high98.5Very high3 Ų330 Ų303%0.02514%0.141CC..  trans-65.8135.7-177.300000112.3I125 I156 G195 A196 L204 R298I125-A199 HydrophobicContact CD1-CB 4.43Å; I156-A199 HydrophobicContact CD1-CB 3.97Å; G195-A199 PolarHBondContact O-N 3.37Å; A196-A199 WeakPolarHBondContact O-CB 3.42Å; A196-A199 PolarHBondContact O-N 2.75Å; A199-L204 HydrophobicContact CB-CD2 3.47Å; A199-L204 VanDerWaalsContact CB-CD2 3.47Å; A199-R298 PolarHBondContact O-NH1 3.05Å
200R98.4Very high98.6Very high170 Ų17031.1 Ų31.164%0.64215%0.146SC*.  trans-103.7-22.4-176.6-64.7179-177.4-174.5-2113.8S123 H153 E154S123-R200 PolarHBondContact OG-N 3.11Å; H153-R200 VanDerWaalsContact NE2-CB 3.35Å; H153-R200 WeakPolarHBondContact NE2-CB 3.44Å; E154-R200 WeakPolarHBondContact OE1-CB 3.27Å; E154-R200 PolarHBondContact OE1-N 3.31Å
201A98.4Very high98.6Very high6 Ų628.5 Ų28.55%0.0514%0.136CC..SBendtrans-71.8165-179.600000113.2S123 H153 R298S123-A201 VanDerWaalsContact N-CB 3.28Å; S123-A201 WeakPolarHBondContact OG-CB 3.37Å; S123-A201 PolarHBondContact OG-N 3.46Å; S123-A201 VanDerWaalsContact OG-N 3.1Å; H153-A201 HydrophobicContact CB-CB 3.73Å; A201-R298 WeakPolarHBondContact O-CD 3.34Å; A201-R298 PolarHBondContact O-NE 3.1Å; A201-R298 VanDerWaalsContact O-NE 3.13Å
202E97.9Very high98.6Very high115 Ų11528.7 Ų28.754%0.53714%0.137SC..SBendtrans-71-33.9175.1-169.9-173.416100112.2N297 R298E202-N297 PolarHBondContact OE1-ND2 3.48Å; E202-R298 WeakPolarHBondContact O-CB 3.29Å; E202-R298 PolarHBondContact O-N 3.02Å
203V98.9Very high98.6Very high0 Ų028.7 Ų28.70%014%0.137CC..EExtended strand (participates in β ladder)trans-110143.2-177.8-176.80000110.1P120 T122 S123 L222 I225 V295P120-V203 HydrophobicContact CB-CG2 4.01Å; P120-V203 HydrophobicContact CG-CG2 3.81Å; T122-V203 WeakPolarHBondContact CA-O 3.5Å; T122-V203 PolarHBondContact OG1-O 3.43Å; T122-V203 VanDerWaalsContact OG1-O 3.08Å; S123-V203 PolarHBondContact N-O 2.82Å; V203-L222 HydrophobicContact CB-CD2 4.22Å; V203-L222 HydrophobicContact CG1-CD2 3.77Å; V203-L222 HydrophobicContact CG2-CD2 4.4Å; V203-I225 HydrophobicContact CG1-CG2 4.47Å; V203-I225 HydrophobicContact CG2-CG2 3.95Å; V203-V295 HydrophobicContact CG1-CG1 3.26Å
204L98.9Very high98.6Very high0 Ų028.2 Ų28.20%013%0.134CC..EExtended strand (participates in β ladder)trans-107.9133.2173-55-179.9000109.3I125 A196 A199 F206 V295 I296 R298 F301I125-L204 HydrophobicContact CD1-CB 4.49Å; I125-L204 HydrophobicContact CD1-CD2 4.07Å; A196-L204 HydrophobicContact CB-CD1 3.75Å; A199-L204 HydrophobicContact CB-CD2 3.47Å; A199-L204 VanDerWaalsContact CB-CD2 3.47Å; L204-F206 HydrophobicContact CB-CE2 3.92Å; L204-F206 HydrophobicContact CB-CZ 4.31Å; L204-F206 HydrophobicContact CD1-CE2 4.21Å; L204-F206 HydrophobicContact CD1-CZ 4.07Å; L204-V295 VanDerWaalsContact O-CA 3.29Å; L204-V295 WeakPolarHBondContact O-CA 3.39Å; L204-V295 WeakPolarHBondContact O-CG1 3.46Å; L204-I296 HydrophobicContact CB-CG2 4.07Å; L204-I296 HydrophobicContact CD1-CG2 4.45Å; L204-I296 PolarHBondContact N-O 3.32Å; L204-I296 PolarHBondContact O-N 3.42Å; L204-R298 HydrophobicContact CD1-CB 4.25Å; L204-R298 HydrophobicContact CD1-CG 4.12Å; L204-R298 HydrophobicContact CD2-CB 4.08Å; L204-R298 HydrophobicContact CD2-CG 3.98Å; L204-R298 HydrophobicContact CG-CB 3.85Å; L204-R298 HydrophobicContact CG-CG 4.08Å; L204-F301 HydrophobicContact CD1-CB 4.14Å; L204-F301 HydrophobicContact CD1-CD1 3.82Å; L204-F301 HydrophobicContact CD1-CE1 4.47Å; L204-F301 HydrophobicContact CD1-CG 4.05Å
205T98.9Very high98.5Very high1 Ų129.1 Ų29.11%0.00614%0.141CC..EExtended strand (participates in β ladder)trans-120.7115.6172.6-63.70000109.4T122 S123 I124 I125 L207 W217 V295T122-T205 WeakPolarHBondContact OG1-CB 3.34Å; T122-T205 PolarHBondContact OG1-N 3.12Å; T122-T205 PolarHBondContact OG1-OG1 2.69Å; S123-T205 PolarHBondContact O-N 2.51Å; I124-T205 CarbonylContact C-O 3.53Å; I124-T205 VanDerWaalsContact CA-O 3.3Å; I124-T205 WeakPolarHBondContact CA-O 3.37Å; I124-T205 HydrophobicContact CG1-CG2 4.18Å; I125-T205 PolarHBondContact N-O 2.57Å; T205-L207 HydrophobicContact CG2-CG 4.39Å; T205-W217 HydrophobicContact CG2-CH2 3.65Å; T205-W217 HydrophobicContact CG2-CZ3 4.1Å; T205-V295 HydrophobicContact CG2-CG2 3.9Å
206F98.9Very high98.4Very high1 Ų132 Ų320%0.00416%0.157CC..EExtended strand (participates in β ladder)trans-95.6132.7176.4-62.9-83.3000110.4I125 R192 A196 L204 L293 F294 I296 F301I125-F206 HydrophobicContact CB-CD1 3.85Å; I125-F206 HydrophobicContact CB-CE1 3.98Å; I125-F206 HydrophobicContact CD1-CD1 4.23Å; I125-F206 HydrophobicContact CD1-CE1 3.55Å; I125-F206 HydrophobicContact CD1-CZ 3.87Å; I125-F206 HydrophobicContact CG1-CE1 4.39Å; I125-F206 HydrophobicContact CG2-CD1 4Å; I125-F206 HydrophobicContact CG2-CE1 3.99Å; R192-F206 HydrophobicContact CB-CD1 4.2Å; R192-F206 HydrophobicContact CB-CE1 3.81Å; R192-F206 HydrophobicContact CG-CD1 3.87Å; R192-F206 HydrophobicContact CG-CE1 4.02Å; A196-F206 HydrophobicContact CB-CZ 4.3Å; L204-F206 HydrophobicContact CB-CE2 3.92Å; L204-F206 HydrophobicContact CB-CZ 4.31Å; L204-F206 HydrophobicContact CD1-CE2 4.21Å; L204-F206 HydrophobicContact CD1-CZ 4.07Å; F206-L293 WeakPolarHBondContact O-CA 3.48Å; F206-F294 HydrophobicContact CB-CD1 4.19Å; F206-F294 HydrophobicContact CB-CE1 3.96Å; F206-F294 HydrophobicContact CB-CZ 4.34Å; F206-F294 HydrophobicContact CD2-CD1 4.34Å; F206-F294 HydrophobicContact CD2-CD2 4.01Å; F206-F294 AromaticContact CD2-CE1 3.76Å; F206-F294 HydrophobicContact CD2-CE1 3.76Å; F206-F294 AromaticContact CD2-CE2 3.4Å; F206-F294 HydrophobicContact CD2-CE2 3.4Å; F206-F294 HydrophobicContact CD2-CG 4.46Å; F206-F294 AromaticContact CD2-CZ 3.25Å; F206-F294 HydrophobicContact CD2-CZ 3.25Å; F206-F294 AromaticContact CE2-CE2 3.71Å; F206-F294 HydrophobicContact CE2-CE2 3.71Å; F206-F294 AromaticContact CE2-CZ 3.66Å; F206-F294 HydrophobicContact CE2-CZ 3.66Å; F206-F294 HydrophobicContact CG-CE1 4.02Å; F206-F294 HydrophobicContact CG-CE2 4.43Å; F206-F294 AromaticContact CG-CZ 3.92Å; F206-F294 HydrophobicContact CG-CZ 3.92Å; F206-F294 PolarHBondContact N-O 2.74Å; F206-F294 PolarHBondContact O-N 3.34Å; F206-I296 HydrophobicContact CE2-CG2 4.06Å; F206-F301 HydrophobicContact CZ-CZ 4.41Å
207L98.8Very high98.3Very high2 Ų232 Ų321%0.0116%0.156CC..EExtended strand (participates in β ladder)trans-133.5148.5173-67.4176.8000109.9I124 I125 I126 V143 T205 V213 W217 L293 V340I124-L207 HydrophobicContact CG2-CD1 4.06Å; I125-L207 PolarHBondContact O-N 2.9Å; I125-L207 VanDerWaalsContact O-N 3.14Å; I126-L207 HydrophobicContact CG1-CB 4.07Å; V143-L207 HydrophobicContact CG2-CD1 3.73Å; T205-L207 HydrophobicContact CG2-CG 4.39Å; L207-V213 HydrophobicContact CD1-CG1 4.18Å; L207-W217 HydrophobicContact CD1-CH2 3.84Å; L207-W217 HydrophobicContact CD1-CZ2 4.43Å; L207-W217 HydrophobicContact CD2-CH2 4.15Å; L207-W217 HydrophobicContact CD2-CZ3 4.05Å; L207-W217 HydrophobicContact CG-CH2 4.3Å; L207-L293 HydrophobicContact CD2-CB 4.46Å; L207-L293 HydrophobicContact CD2-CD2 3.8Å; L207-L293 HydrophobicContact CD2-CG 4.12Å; L207-V340 HydrophobicContact CD2-CG1 4.42Å
208D98.3Very high98.3Very high27 Ų2728 Ų2814%0.14413%0.134CC..EExtended strand (participates in β ladder)trans-76.5159.5166.4-74.7-6.6000110.4R192 H210 H342R192-D208 IonicContact NH2-OD1 3.38Å; R192-D208 PolarHBondContact NH2-OD1 3.47Å; D208-H210 PolarHBondContact O-N 2.87Å; D208-H210 VanDerWaalsContact O-N 3.14Å; D208-H342 IonicContact OD2-CD2 2.99Å; D208-H342 IonicContact OD2-NE2 3.71Å; D208-H342 PolarHBondContact OD2-NE2 3.48Å
209S98.3Very high98.3Very high7 Ų726.6 Ų26.65%0.04912%0.122CC..THydrogen-bonded Turntrans-77.18.3-174.954.90000115.8E131 T135 L136 T139E131-S209 PolarHBondContact OE2-OG 3.4Å; T135-S209 CarbonylContact C-O 3.57Å; L136-S209 WeakPolarHBondContact CA-O 3.41Å; L136-S209 PolarHBondContact N-O 3.37Å; T139-S209 PolarHBondContact OG1-O 3.07Å
210H98.4Very high98.3Very high25 Ų2526.8 Ų26.812%0.11612%0.123CC..THydrogen-bonded Turntrans-142.148.5-176.342.3-84.7000109.5E131 T135 T139 D208 H342 V343 R345E131-H210 IonicContact OE2-CE1 2.68Å; E131-H210 IonicContact OE2-CG 3.28Å; E131-H210 IonicContact OE2-ND1 2.67Å; E131-H210 PolarHBondContact OE2-ND1 3.42Å; T135-H210 HydrophobicContact CG2-CB 4.34Å; T139-H210 PolarHBondContact OG1-N 3.19Å; D208-H210 PolarHBondContact O-N 2.87Å; D208-H210 VanDerWaalsContact O-N 3.14Å; H210-H342 AromaticContact CD2-CD2 3.99Å; H210-H342 AromaticContact CD2-CE1 3.81Å; H210-H342 AromaticContact CD2-NE2 3.53Å; H210-H342 AromaticContact NE2-CE1 3.65Å; H210-H342 AromaticContact NE2-NE2 3.31Å; H210-H342 PolarHBondContact NE2-NE2 3.12Å; H210-V343 HydrophobicContact CB-CB 4.21Å; H210-V343 HydrophobicContact CB-CG2 4.13Å; H210-V343 PolarHBondContact O-N 3.3Å; H210-V343 VanDerWaalsContact O-N 3.14Å; H210-R345 PolarHBondContact CE1-NH2 3.05Å; H210-R345 PolarHBondContact ND1-NH2 3.27Å; H210-R345 PolarHBondContact NE2-NH2 3.16Å
211C98.7Very high98.3Very high0 Ų018.7 Ų18.70%09%0.092CC..EExtended strand (participates in β ladder)trans-111.9158.1176.8-70.20000111.6T139 V340 G341T139-C211 WeakPolarHBondContact CA-O 3.4Å; T139-C211 VanDerWaalsContact CB-O 3.32Å; T139-C211 WeakPolarHBondContact CB-O 3.4Å; T139-C211 HydrophobicContact CG2-CB 4.09Å; T139-C211 PolarHBondContact OG1-N 3.03Å; T139-C211 PolarHBondContact OG1-O 3.45Å; C211-V340 HydrophobicContact CB-CG1 3.98Å; C211-G341 CarbonylContact C-O 3.57Å; C211-G341 WeakPolarHBondContact CA-O 3.49Å; C211-G341 WeakPolarHBondContact CB-O 3.14Å
212E98.8Very high98.3Very high5 Ų518.4 Ų18.42%0.0239%0.09CC..EExtended strand (participates in β ladder)trans-136.1115167.4-65.6-179-132.200109.4R100 L102 R138 I240 Y247 G341R100-E212 IonicContact CZ-OE1 3.78Å; R100-E212 VanDerWaalsContact CZ-OE1 3.32Å; R100-E212 IonicContact CZ-OE2 3.94Å; R100-E212 IonicContact NE-OE1 3.04Å; R100-E212 PolarHBondContact NE-OE1 2.81Å; R100-E212 IonicContact NE-OE2 2.91Å; R100-E212 PolarHBondContact NE-OE2 2.71Å; R100-E212 VanDerWaalsContact NH2-CD 3.31Å; R100-E212 IonicContact NH2-OE1 3.7Å; R100-E212 PolarHBondContact NH2-OE1 3.17Å; R100-E212 IonicContact NH2-OE2 3.21Å; R100-E212 PolarHBondContact NH2-OE2 2.8Å; L102-E212 HydrophobicContact CD1-CB 3.96Å; R138-E212 VanDerWaalsContact CD-CD 3.47Å; R138-E212 WeakPolarHBondContact CD-OE1 3.35Å; R138-E212 HydrophobicContact CG-CG 3.79Å; R138-E212 IonicContact NE-OE1 3.92Å; R138-E212 PolarHBondContact NE-OE1 3.47Å; R138-E212 VanDerWaalsContact NE-OE1 3.17Å; E212-I240 HydrophobicContact CB-CD1 3.95Å; E212-I240 HydrophobicContact CG-CD1 3.82Å; E212-Y247 HydrophobicContact CB-CE2 4.5Å; E212-G341 PolarHBondContact N-O 3.07Å; E212-G341 PolarHBondContact O-N 2.75Å
213V98.8Very high98.4Very high0 Ų013.7 Ų13.70%07%0.068CC..EExtended strand (participates in β ladder)trans-77.4143.3-178.9-53.90000110.5S142 V143 R146 L207 W217 V340S142-V213 VanDerWaalsContact C-CG2 3.4Å; S142-V213 WeakPolarHBondContact O-CG2 3.36Å; S142-V213 PolarHBondContact OG-N 3.25Å; S142-V213 VanDerWaalsContact OG-N 3.16Å; V143-V213 HydrophobicContact CG2-CG1 4Å; V143-V213 HydrophobicContact CG2-CG2 4.29Å; R146-V213 HydrophobicContact CB-CG2 4.19Å; R146-V213 WeakPolarHBondContact CD-O 3.02Å; R146-V213 PolarHBondContact NH1-O 3.08Å; L207-V213 HydrophobicContact CD1-CG1 4.18Å; V213-W217 HydrophobicContact CB-CB 4.4Å; V213-W217 HydrophobicContact CB-CD2 3.71Å; V213-W217 HydrophobicContact CB-CE3 4.42Å; V213-W217 HydrophobicContact CB-CG 3.66Å; V213-W217 HydrophobicContact CB-CZ2 4.38Å; V213-W217 HydrophobicContact CG1-CD2 3.71Å; V213-W217 HydrophobicContact CG1-CE3 4.04Å; V213-W217 HydrophobicContact CG1-CG 4.23Å; V213-W217 HydrophobicContact CG1-CH2 4.04Å; V213-W217 HydrophobicContact CG1-CZ2 3.76Å; V213-W217 HydrophobicContact CG1-CZ3 4.18Å; V213-W217 HydrophobicContact CG2-CD2 4.39Å; V213-W217 HydrophobicContact CG2-CG 4.23Å; V213-V340 HydrophobicContact CB-CG2 4.35Å; V213-V340 HydrophobicContact CG1-CG1 3.96Å; V213-V340 HydrophobicContact CG1-CG2 4.03Å
214N98.3Very high98.3Very high3 Ų316.1 Ų16.12%0.0168%0.077CC..  trans-94.2-179.6177.8-146.3-42.9000111.1R103 T105 W217 Y247 R339R103-N214 PolarHBondContact O-ND2 2.82Å; T105-N214 PolarHBondContact OG1-ND2 3.41Å; N214-W217 WeakPolarHBondContact O-CB 3.45Å; N214-W217 PolarHBondContact O-N 3.48Å; N214-Y247 PolarHBondContact ND2-OH 3.07Å; N214-R339 HydrophobicContact CB-CB 3.76Å; N214-R339 VanDerWaalsContact CB-O 3.26Å; N214-R339 WeakPolarHBondContact CB-O 3.02Å; N214-R339 PolarHBondContact N-O 2.9Å
215K96.3Very high98.3Very high114 Ų11416.2 Ų16.250%0.4968%0.078SC..THydrogen-bonded Turntrans-59.5136.1-179.9-176.1172.4177.6176.30112.1R106 W217R106-K215 WeakPolarHBondContact CD-O 3.46Å; R106-K215 PolarHBondContact NE-O 3.38Å; R106-K215 PolarHBondContact NH1-O 2.83Å; K215-W217 PolarHBondContact O-N 2.8Å; K215-W217 VanDerWaalsContact O-N 3.1Å
216D96Very high98.3Very high62 Ų6219.7 Ų19.733%0.3329%0.093SC..THydrogen-bonded Turntrans4537.4-178.9-36-46.4000114R106 L218 P220R106-D216 IonicContact CZ-OD2 3.95Å; R106-D216 VanDerWaalsContact NH1-CB 3.31Å; R106-D216 IonicContact NH1-OD2 3.85Å; R106-D216 PolarHBondContact NH1-OD2 3.47Å; R106-D216 IonicContact NH2-OD2 3.38Å; R106-D216 PolarHBondContact NH2-OD2 3.31Å; D216-L218 VanDerWaalsContact C-N 3.33Å; D216-L218 PolarHBondContact O-N 2.86Å; D216-P220 WeakPolarHBondContact O-CD 3.39Å; D216-P220 WeakPolarHBondContact O-CG 3.49Å
217W98.4Very high98.3Very high3 Ų324.6 Ų24.61%0.01112%0.115CC..  trans-66.3-34-177.175.2-73.2000113V143 T147 T205 L207 V213 N214 K215 L221 S338 V340V143-W217 HydrophobicContact CG2-CZ2 4.37Å; T147-W217 PolarHBondContact OG1-NE1 3.38Å; T205-W217 HydrophobicContact CG2-CH2 3.65Å; T205-W217 HydrophobicContact CG2-CZ3 4.1Å; L207-W217 HydrophobicContact CD1-CH2 3.84Å; L207-W217 HydrophobicContact CD1-CZ2 4.43Å; L207-W217 HydrophobicContact CD2-CH2 4.15Å; L207-W217 HydrophobicContact CD2-CZ3 4.05Å; L207-W217 HydrophobicContact CG-CH2 4.3Å; V213-W217 HydrophobicContact CB-CB 4.4Å; V213-W217 HydrophobicContact CB-CD2 3.71Å; V213-W217 HydrophobicContact CB-CE3 4.42Å; V213-W217 HydrophobicContact CB-CG 3.66Å; V213-W217 HydrophobicContact CB-CZ2 4.38Å; V213-W217 HydrophobicContact CG1-CD2 3.71Å; V213-W217 HydrophobicContact CG1-CE3 4.04Å; V213-W217 HydrophobicContact CG1-CG 4.23Å; V213-W217 HydrophobicContact CG1-CH2 4.04Å; V213-W217 HydrophobicContact CG1-CZ2 3.76Å; V213-W217 HydrophobicContact CG1-CZ3 4.18Å; V213-W217 HydrophobicContact CG2-CD2 4.39Å; V213-W217 HydrophobicContact CG2-CG 4.23Å; N214-W217 WeakPolarHBondContact O-CB 3.45Å; N214-W217 PolarHBondContact O-N 3.48Å; K215-W217 PolarHBondContact O-N 2.8Å; K215-W217 VanDerWaalsContact O-N 3.1Å; W217-L221 HydrophobicContact CE3-CD1 3.92Å; W217-L221 HydrophobicContact CZ3-CD1 4.09Å; W217-L221 WeakPolarHBondContact O-CD1 3.25Å; W217-S338 WeakPolarHBondContact O-CB 3.48Å; W217-S338 PolarHBondContact O-OG 3.5Å; W217-V340 HydrophobicContact CB-CG2 4.41Å; W217-V340 HydrophobicContact CD2-CG2 4.17Å; W217-V340 HydrophobicContact CE3-CG2 3.5Å; W217-V340 VanDerWaalsContact CE3-CG2 3.5Å; W217-V340 HydrophobicContact CZ3-CG2 4.08Å
218L98.6Very high98.3Very high1 Ų126.5 Ų26.51%0.00513%0.125CC..Hα-helixtrans-85.8-42.9-169.6-171.363.8000114.7T122 T147 L151 D216 P220 L221 L222T122-L218 HydrophobicContact CG2-CD1 4.29Å; T122-L218 HydrophobicContact CG2-CD2 3.77Å; T147-L218 HydrophobicContact CG2-CB 4.28Å; T147-L218 HydrophobicContact CG2-CD2 3.4Å; T147-L218 HydrophobicContact CG2-CG 4.48Å; L151-L218 HydrophobicContact CB-CD2 4.14Å; D216-L218 VanDerWaalsContact C-N 3.33Å; D216-L218 PolarHBondContact O-N 2.86Å; L218-P220 VanDerWaalsContact C-CD 3.43Å; L218-L221 HydrophobicContact CD1-CD1 4.48Å; L218-L221 WeakPolarHBondContact O-CB 3.41Å; L218-L221 PolarHBondContact O-N 3.22Å; L218-L222 HydrophobicContact CD1-CD1 4.29Å; L218-L222 HydrophobicContact CD1-CD2 4.27Å; L218-L222 HydrophobicContact CD1-CG 4.02Å; L218-L222 HydrophobicContact CD2-CD1 3.86Å; L218-L222 HydrophobicContact CD2-CG 4.49Å; L218-L222 HydrophobicContact CG-CD1 3.65Å; L218-L222 HydrophobicContact CG-CG 3.85Å; L218-L222 PolarHBondContact O-N 3.4Å
219P98.2Very high98.3Very high14 Ų1428.1 Ų28.19%0.09114%0.138CC..Hα-helixtrans-53-43-179.2-26.434.6000115.4Y115 L119 L151 L221 L222 Q223Y115-P219 HydrophobicContact CD2-CB 3.63Å; Y115-P219 HydrophobicContact CE2-CB 4.17Å; Y115-P219 HydrophobicContact CG-CB 3.89Å; L119-P219 HydrophobicContact CD1-CB 3.86Å; L151-P219 HydrophobicContact CD1-CG 4.32Å; P219-L221 VanDerWaalsContact C-N 3.25Å; P219-L221 PolarHBondContact O-N 2.69Å; P219-L222 PolarHBondContact O-N 2.91Å; P219-Q223 WeakPolarHBondContact O-CB 3.5Å; P219-Q223 PolarHBondContact O-N 3.16Å
220P98.3Very high98.3Very high7 Ų729.5 Ų29.55%0.04515%0.146CC..Hα-helixtrans-57.2-39.9175.4-14.220.8000112.4Y115 D216 L218 R224 L335 C337Y115-P220 HydrophobicContact CE1-CB 4.06Å; Y115-P220 HydrophobicContact CE1-CG 4.32Å; Y115-P220 HydrophobicContact CE2-CG 4.14Å; Y115-P220 WeakPolarHBondContact OH-CG 3.42Å; D216-P220 WeakPolarHBondContact O-CD 3.39Å; D216-P220 WeakPolarHBondContact O-CG 3.49Å; L218-P220 VanDerWaalsContact C-CD 3.43Å; P220-R224 WeakPolarHBondContact O-CG 3.35Å; P220-R224 PolarHBondContact O-N 3.28Å; P220-L335 VanDerWaalsContact C-CD1 3.42Å; P220-L335 HydrophobicContact CB-CD1 4.09Å; P220-L335 WeakPolarHBondContact O-CD1 3.28Å; P220-C337 HydrophobicContact CG-CB 4.29Å
221L98.8Very high98.3Very high0 Ų030.2 Ų30.20%015%0.148CC..Hα-helixtrans-69.5-49.1-178.5-59.6167.4000110.7W217 L218 P219 Q223 R224 I225 V233 V295 L335 S338W217-L221 HydrophobicContact CE3-CD1 3.92Å; W217-L221 HydrophobicContact CZ3-CD1 4.09Å; W217-L221 WeakPolarHBondContact O-CD1 3.25Å; L218-L221 HydrophobicContact CD1-CD1 4.48Å; L218-L221 WeakPolarHBondContact O-CB 3.41Å; L218-L221 PolarHBondContact O-N 3.22Å; P219-L221 VanDerWaalsContact C-N 3.25Å; P219-L221 PolarHBondContact O-N 2.69Å; L221-Q223 VanDerWaalsContact C-N 3.34Å; L221-Q223 PolarHBondContact O-N 2.83Å; L221-R224 PolarHBondContact O-N 3.36Å; L221-I225 PolarHBondContact O-N 3.36Å; L221-V233 HydrophobicContact CB-CG2 3.86Å; L221-V233 HydrophobicContact CD2-CB 4.08Å; L221-V233 HydrophobicContact CD2-CG2 3.7Å; L221-V233 HydrophobicContact CG-CG2 4.39Å; L221-V295 HydrophobicContact CB-CB 4.35Å; L221-V295 HydrophobicContact CB-CG2 3.93Å; L221-V295 HydrophobicContact CD1-CG2 3.75Å; L221-V295 HydrophobicContact CG-CG2 4.33Å; L221-L335 HydrophobicContact CD2-CB 4.27Å; L221-L335 HydrophobicContact CD2-CD1 3.74Å; L221-L335 HydrophobicContact CD2-CG 4.02Å; L221-L335 HydrophobicContact CG-CD1 4.33Å; L221-S338 VanDerWaalsContact CD1-OG 3.26Å; L221-S338 WeakPolarHBondContact CD1-OG 3.22Å; L221-S338 WeakPolarHBondContact CG-OG 3.2Å
222L98.8Very high98.3Very high0 Ų030.2 Ų30.20%015%0.148CC..Hα-helixtrans-64.5-37.6-179.4-63.8177.3000112.4L119 P120 T122 L151 V203 L218 P219 R224 I225 K226 V295L119-L222 HydrophobicContact CB-CB 4.33Å; L119-L222 HydrophobicContact CB-CD1 4.42Å; L119-L222 HydrophobicContact CD1-CB 4.3Å; L119-L222 HydrophobicContact CD2-CB 4.17Å; P120-L222 WeakPolarHBondContact O-CD1 3.34Å; T122-L222 HydrophobicContact CG2-CD2 4.49Å; L151-L222 HydrophobicContact CB-CD1 4.29Å; L151-L222 HydrophobicContact CD1-CD1 4.08Å; L151-L222 HydrophobicContact CD2-CD1 4.01Å; L151-L222 HydrophobicContact CG-CD1 4.35Å; V203-L222 HydrophobicContact CB-CD2 4.22Å; V203-L222 HydrophobicContact CG1-CD2 3.77Å; V203-L222 HydrophobicContact CG2-CD2 4.4Å; L218-L222 HydrophobicContact CD1-CD1 4.29Å; L218-L222 HydrophobicContact CD1-CD2 4.27Å; L218-L222 HydrophobicContact CD1-CG 4.02Å; L218-L222 HydrophobicContact CD2-CD1 3.86Å; L218-L222 HydrophobicContact CD2-CG 4.49Å; L218-L222 HydrophobicContact CG-CD1 3.65Å; L218-L222 HydrophobicContact CG-CG 3.85Å; L218-L222 PolarHBondContact O-N 3.4Å; P219-L222 PolarHBondContact O-N 2.91Å; L222-R224 PolarHBondContact O-N 3.42Å; L222-I225 PolarHBondContact O-N 2.84Å; L222-K226 WeakPolarHBondContact O-CB 3.48Å; L222-K226 PolarHBondContact O-N 3.01Å; L222-V295 HydrophobicContact CD2-CG1 4.25Å
223Q98.5Very high98.3Very high15 Ų1530 Ų307%0.0715%0.146CC..Hα-helixtrans-57.6-40.6176.2-175.969.160.600111.5Y115 D116 L119 P219 L221 K226 Q227Y115-Q223 HydrophobicContact CD1-CB 3.88Å; Y115-Q223 HydrophobicContact CD1-CG 4.08Å; Y115-Q223 HydrophobicContact CE1-CB 4.49Å; D116-Q223 PolarHBondContact OD2-NE2 3.13Å; L119-Q223 HydrophobicContact CD2-CB 4.09Å; P219-Q223 WeakPolarHBondContact O-CB 3.5Å; P219-Q223 PolarHBondContact O-N 3.16Å; L221-Q223 VanDerWaalsContact C-N 3.34Å; L221-Q223 PolarHBondContact O-N 2.83Å; Q223-K226 PolarHBondContact O-N 3.25Å; Q223-Q227 WeakPolarHBondContact O-CB 3.28Å; Q223-Q227 VanDerWaalsContact O-CG 3.22Å; Q223-Q227 WeakPolarHBondContact O-CG 3.48Å; Q223-Q227 PolarHBondContact O-N 3.33Å
224R98.4Very high98.3Very high51 Ų5130.3 Ų30.319%0.19215%0.148CC..Hα-helixtrans-68.8-38.1180-65-58.9-64.8165.8-7.4112.6P220 L221 L222 D228 R231 V233 E333 L335P220-R224 WeakPolarHBondContact O-CG 3.35Å; P220-R224 PolarHBondContact O-N 3.28Å; L221-R224 PolarHBondContact O-N 3.36Å; L222-R224 PolarHBondContact O-N 3.42Å; R224-D228 PolarHBondContact O-N 3.32Å; R224-R231 PolarHBondContact O-NH1 2.66Å; R224-V233 HydrophobicContact CB-CG1 3.81Å; R224-V233 HydrophobicContact CG-CG1 4.47Å; R224-E333 IonicContact CZ-OE1 3.61Å; R224-E333 IonicContact CZ-OE2 3.9Å; R224-E333 IonicContact NE-OE2 3.18Å; R224-E333 PolarHBondContact NE-OE2 2.88Å; R224-E333 IonicContact NH2-OE1 3.42Å; R224-E333 PolarHBondContact NH2-OE1 3.5Å; R224-E333 IonicContact NH2-OE2 2.83Å; R224-E333 PolarHBondContact NH2-OE2 2.87Å; R224-L335 HydrophobicContact CB-CD1 4.34Å; R224-L335 HydrophobicContact CG-CD1 3.5Å; R224-L335 VanDerWaalsContact CG-CD1 3.5Å; R224-L335 HydrophobicContact CG-CD2 3.97Å; R224-L335 HydrophobicContact CG-CG 4.37Å
225I98.6Very high98.3Very high3 Ų330.3 Ų30.32%0.01515%0.149CC..Hα-helixtrans-68-42.3175-60.2-59.8000111.1V203 L221 L222 Q227 D228 P229 R231 V233 V295 N297V203-I225 HydrophobicContact CG1-CG2 4.47Å; V203-I225 HydrophobicContact CG2-CG2 3.95Å; L221-I225 PolarHBondContact O-N 3.36Å; L222-I225 PolarHBondContact O-N 2.84Å; I225-Q227 VanDerWaalsContact C-N 3.3Å; I225-Q227 PolarHBondContact O-N 3.06Å; I225-D228 CarbonylContact O-C 3.56Å; I225-D228 PolarHBondContact O-N 3.31Å; I225-P229 WeakPolarHBondContact O-CA 3.45Å; I225-R231 HydrophobicContact CD1-CB 4.42Å; I225-R231 WeakPolarHBondContact CD1-O 3.37Å; I225-V233 HydrophobicContact CD1-CG1 4.44Å; I225-V233 HydrophobicContact CD1-CG2 4.07Å; I225-V233 HydrophobicContact CG1-CG2 4.13Å; I225-V295 HydrophobicContact CG1-CG1 4.04Å; I225-N297 HydrophobicContact CG2-CB 3.97Å
226K98.3Very high98.4Very high74 Ų7425.2 Ų25.232%0.32213%0.127SC..Hα-helixtrans-60.2-40.8175.8-175.6-178.5-179.9-173.10111.9D116 D118 L119 L222 Q223 D228D116-K226 IonicContact OD2-NZ 3.3Å; D116-K226 PolarHBondContact OD2-NZ 2.85Å; D118-K226 PolarHBondContact O-NZ 2.83Å; D118-K226 IonicContact OD1-NZ 3.5Å; D118-K226 PolarHBondContact OD1-NZ 3.47Å; D118-K226 IonicContact OD2-NZ 3.01Å; D118-K226 PolarHBondContact OD2-NZ 2.9Å; L119-K226 HydrophobicContact CD2-CD 4.2Å; L222-K226 WeakPolarHBondContact O-CB 3.48Å; L222-K226 PolarHBondContact O-N 3.01Å; Q223-K226 PolarHBondContact O-N 3.25Å; K226-D228 VanDerWaalsContact C-N 3.31Å; K226-D228 PolarHBondContact O-N 3.02Å
227Q98.3Very high98.5Very high104 Ų10423 Ų2349%0.48612%0.115SC..Hα-helixtrans-68.3-30178.2-74.7169.2-3.700113.2Q223 I225Q223-Q227 WeakPolarHBondContact O-CB 3.28Å; Q223-Q227 VanDerWaalsContact O-CG 3.22Å; Q223-Q227 WeakPolarHBondContact O-CG 3.48Å; Q223-Q227 PolarHBondContact O-N 3.33Å; I225-Q227 VanDerWaalsContact C-N 3.3Å; I225-Q227 PolarHBondContact O-N 3.06Å
228D98.6Very high98.5Very high41 Ų4122.8 Ų22.822%0.21911%0.114CC..  trans-162.4106.6-178.2-179.5-10.2000109.6R224 I225 K226 T230 R231R224-D228 PolarHBondContact O-N 3.32Å; I225-D228 CarbonylContact O-C 3.56Å; I225-D228 PolarHBondContact O-N 3.31Å; K226-D228 VanDerWaalsContact C-N 3.31Å; K226-D228 PolarHBondContact O-N 3.02Å; D228-T230 PolarHBondContact O-N 3.48Å; D228-T230 VanDerWaalsContact O-N 3.13Å; D228-T230 WeakPolarHBondContact OD1-CB 3.47Å; D228-T230 PolarHBondContact OD1-N 2.9Å; D228-T230 PolarHBondContact OD1-OG1 2.93Å; D228-R231 HydrophobicContact CB-CG 3.86Å; D228-R231 VanDerWaalsContact CB-NE 3.34Å; D228-R231 PolarHBondContact O-N 3.13Å; D228-R231 IonicContact OD2-CZ 3.19Å; D228-R231 IonicContact OD2-NE 2.77Å; D228-R231 PolarHBondContact OD2-NE 3.06Å; D228-R231 IonicContact OD2-NH2 2.73Å; D228-R231 PolarHBondContact OD2-NH2 3.1Å
229P98.4Very high98.5Very high62 Ų6226.2 Ų26.240%0.40313%0.132SC..THydrogen-bonded Turntrans-70.6-9-174.128.6-35.4000113.2I225 R231 N297 W300I225-P229 WeakPolarHBondContact O-CA 3.45Å; P229-R231 VanDerWaalsContact C-N 3.31Å; P229-N297 HydrophobicContact CB-CB 3.95Å; P229-N297 WeakPolarHBondContact O-CB 3.49Å; P229-W300 WeakPolarHBondContact O-CB 3.2Å
230T98.7Very high98.5Very high36 Ų3625.6 Ų25.622%0.22113%0.128CC..THydrogen-bonded Turntrans-83-10.4178.173.40000113.2D228 W300 G330D228-T230 PolarHBondContact O-N 3.48Å; D228-T230 VanDerWaalsContact O-N 3.13Å; D228-T230 WeakPolarHBondContact OD1-CB 3.47Å; D228-T230 PolarHBondContact OD1-N 2.9Å; D228-T230 PolarHBondContact OD1-OG1 2.93Å; T230-W300 HydrophobicContact CG2-CD2 4.47Å; T230-W300 HydrophobicContact CG2-CE3 4.46Å; T230-W300 HydrophobicContact CG2-CH2 4.42Å; T230-W300 HydrophobicContact CG2-CZ2 4.39Å; T230-W300 HydrophobicContact CG2-CZ3 4.43Å; T230-W300 PolarHBondContact O-NE1 2.78Å; T230-G330 WeakPolarHBondContact O-CA 3.41Å
231R98.8Very high98.5Very high40 Ų4027.9 Ų27.915%0.15114%0.139CC..EExtended strand (participates in β ladder)trans-75.2144.6177.3-61.7-178.2-174141.56.1111R224 I225 D228 P229 V233 E333R224-R231 PolarHBondContact O-NH1 2.66Å; I225-R231 HydrophobicContact CD1-CB 4.42Å; I225-R231 WeakPolarHBondContact CD1-O 3.37Å; D228-R231 HydrophobicContact CB-CG 3.86Å; D228-R231 VanDerWaalsContact CB-NE 3.34Å; D228-R231 PolarHBondContact O-N 3.13Å; D228-R231 IonicContact OD2-CZ 3.19Å; D228-R231 IonicContact OD2-NE 2.77Å; D228-R231 PolarHBondContact OD2-NE 3.06Å; D228-R231 IonicContact OD2-NH2 2.73Å; D228-R231 PolarHBondContact OD2-NH2 3.1Å; P229-R231 VanDerWaalsContact C-N 3.31Å; R231-V233 HydrophobicContact CB-CG1 4.16Å; R231-E333 IonicContact NE-OE1 2.93Å
232V98.8Very high98.4Very high0 Ų028.9 Ų28.90%015%0.145CC..EExtended strand (participates in β ladder)trans-119.4123.4166.3-175.40000107.1F294 I296 V325 S331 L332 E333V232-F294 HydrophobicContact CG1-CB 4.18Å; V232-F294 HydrophobicContact CG1-CD2 3.59Å; V232-F294 HydrophobicContact CG1-CE2 4.34Å; V232-F294 HydrophobicContact CG1-CG 4.2Å; V232-I296 HydrophobicContact CG1-CB 4.4Å; V232-I296 HydrophobicContact CG2-CB 4.37Å; V232-I296 HydrophobicContact CG2-CD1 3.55Å; V232-I296 HydrophobicContact CG2-CG1 3.86Å; V232-V325 HydrophobicContact CG2-CG1 3.95Å; V232-V325 HydrophobicContact CG2-CG2 3.79Å; V232-S331 PolarHBondContact N-O 3.4Å; V232-L332 HydrophobicContact CB-CD2 3.66Å; V232-L332 HydrophobicContact CG1-CD2 4.16Å; V232-L332 HydrophobicContact CG2-CD2 4.2Å; V232-L332 VanDerWaalsContact O-CA 3.31Å; V232-L332 WeakPolarHBondContact O-CA 3.24Å; V232-E333 PolarHBondContact O-N 3.41Å
233V98.8Very high98.4Very high0 Ų031.7 Ų31.70%016%0.159CC..EExtended strand (participates in β ladder)trans-123.4139.4-168.7-57.80000111.6L221 R224 I225 R231 F294 V295 E333 L335L221-V233 HydrophobicContact CB-CG2 3.86Å; L221-V233 HydrophobicContact CD2-CB 4.08Å; L221-V233 HydrophobicContact CD2-CG2 3.7Å; L221-V233 HydrophobicContact CG-CG2 4.39Å; R224-V233 HydrophobicContact CB-CG1 3.81Å; R224-V233 HydrophobicContact CG-CG1 4.47Å; I225-V233 HydrophobicContact CD1-CG1 4.44Å; I225-V233 HydrophobicContact CD1-CG2 4.07Å; I225-V233 HydrophobicContact CG1-CG2 4.13Å; R231-V233 HydrophobicContact CB-CG1 4.16Å; V233-F294 CarbonylContact O-C 3.59Å; V233-F294 VanDerWaalsContact O-CA 3.27Å; V233-F294 WeakPolarHBondContact O-CA 3.48Å; V233-V295 HydrophobicContact CG2-CB 3.89Å; V233-V295 PolarHBondContact N-O 3.39Å; V233-V295 PolarHBondContact O-N 2.98Å; V233-E333 CarbonylContact C-O 3.48Å; V233-E333 WeakPolarHBondContact CA-O 3.27Å; V233-E333 HydrophobicContact CG1-CB 4.11Å; V233-L335 HydrophobicContact CB-CD1 4.41Å; V233-L335 HydrophobicContact CB-CG 4.42Å
234S98.7Very high98.3Very high6 Ų634.8 Ų34.84%0.04218%0.18CC..EExtended strand (participates in β ladder)trans-121.5148.8179.5-73.30000110.9L293 F294 E333 I334 L335S234-L293 WeakPolarHBondContact CB-O 3.49Å; S234-L293 PolarHBondContact OG-O 3.38Å; S234-F294 WeakPolarHBondContact OG-CB 3.31Å; S234-E333 PolarHBondContact N-O 2.81Å; S234-I334 CarbonylContact O-C 3.5Å; S234-I334 WeakPolarHBondContact O-CA 3.34Å; S234-L335 PolarHBondContact O-N 2.71Å
235P98.6Very high98.3Very high3 Ų332.4 Ų32.42%0.01917%0.171CC..EExtended strand (participates in β ladder)trans-70.1164.616832.9-36.1000110.7I237 L293 S338 V340P235-I237 HydrophobicContact CG-CG1 4.5Å; P235-I237 PolarHBondContact O-N 2.89Å; P235-L293 HydrophobicContact CG-CB 4.06Å; P235-L293 HydrophobicContact CG-CD2 4.25Å; P235-S338 WeakPolarHBondContact CA-O 2.92Å; P235-S338 WeakPolarHBondContact CB-O 3.38Å; P235-S338 WeakPolarHBondContact CB-OG 3.35Å; P235-V340 HydrophobicContact CB-CB 4.23Å; P235-V340 HydrophobicContact CB-CG2 3.77Å; P235-V340 HydrophobicContact CG-CB 4Å; P235-V340 HydrophobicContact CG-CG2 3.75Å
236V98.4Very high98.3Very high8 Ų834.3 Ų34.35%0.04819%0.187CC..EExtended strand (participates in β ladder)trans-68.7126.1154.7173.40000107.9D238 A250 I334 S338 V340V236-D238 PolarHBondContact O-N 3.21Å; V236-A250 HydrophobicContact CG1-CB 4.16Å; V236-I334 HydrophobicContact CG2-CG2 3.68Å; V236-S338 PolarHBondContact N-O 3.49Å; V236-V340 PolarHBondContact O-N 3.34Å; V236-V340 VanDerWaalsContact O-N 3.14Å
237I98.3Very high98.3Very high14 Ų1432.5 Ų32.57%0.07218%0.178CC..EExtended strand (participates in β ladder)trans-91.5103.3-176.3-54.4174.1000108.5P235 A250 W266 A290 L293 V340 H342 F344P235-I237 HydrophobicContact CG-CG1 4.5Å; P235-I237 PolarHBondContact O-N 2.89Å; I237-A250 WeakPolarHBondContact O-CB 3.41Å; I237-W266 HydrophobicContact CD1-CH2 4.15Å; I237-W266 HydrophobicContact CD1-CZ2 4.16Å; I237-A290 HydrophobicContact CD1-CB 4.04Å; I237-L293 HydrophobicContact CD1-CB 4.49Å; I237-L293 HydrophobicContact CD1-CD1 3.92Å; I237-L293 HydrophobicContact CG1-CD1 4.41Å; I237-V340 CarbonylContact C-O 3.59Å; I237-V340 VanDerWaalsContact CA-O 3.29Å; I237-V340 WeakPolarHBondContact CA-O 3.18Å; I237-H342 HydrophobicContact CG2-CB 3.5Å; I237-F344 HydrophobicContact CB-CZ 4.48Å; I237-F344 HydrophobicContact CG2-CE2 3.96Å; I237-F344 HydrophobicContact CG2-CZ 3.65Å
238D98.4Very high98.2Very high0 Ų031 Ų310%018%0.176CC..EExtended strand (participates in β ladder)trans-74161.8173.5-70.7-27.4000110.7T105 V236 Y247 V248 A249 A250 R339 V340 G341 H342T105-D238 WeakPolarHBondContact CB-OD2 3.39Å; T105-D238 PolarHBondContact OG1-OD2 3.2Å; V236-D238 PolarHBondContact O-N 3.21Å; D238-Y247 HydrophobicContact CB-CD1 4.44Å; D238-Y247 HydrophobicContact CB-CE1 3.57Å; D238-Y247 HydrophobicContact CB-CE2 4.44Å; D238-Y247 WeakPolarHBondContact CB-OH 3.49Å; D238-Y247 WeakPolarHBondContact OD2-CE1 3.47Å; D238-Y247 VanDerWaalsContact OD2-CZ 3.28Å; D238-Y247 PolarHBondContact OD2-OH 3.14Å; D238-V248 WeakPolarHBondContact CB-O 3.35Å; D238-A249 WeakPolarHBondContact OD1-CA 3.46Å; D238-A250 PolarHBondContact OD1-N 2.82Å; D238-R339 IonicContact OD1-CZ 3.49Å; D238-R339 IonicContact OD1-NH1 3.93Å; D238-R339 PolarHBondContact OD1-NH1 2.71Å; D238-R339 WeakPolarHBondContact OD2-CD 3.28Å; D238-V340 PolarHBondContact N-O 3.44Å; D238-G341 CarbonylContact O-C 3.5Å; D238-G341 WeakPolarHBondContact O-CA 3.48Å; D238-H342 PolarHBondContact O-N 3.04Å
239I98Very high98.1Very high73 Ų7331.6 Ų31.637%0.37419%0.187SC..EExtended strand (participates in β ladder)trans-99122.1-174.1-59.8167.7000109.2V248 F344I239-V248 HydrophobicContact CB-CB 4.39Å; I239-V248 PolarHBondContact N-O 3.44Å; I239-V248 PolarHBondContact O-N 3.28Å; I239-F344 HydrophobicContact CB-CD2 4.32Å; I239-F344 HydrophobicContact CB-CE2 4.48Å; I239-F344 HydrophobicContact CG1-CD2 4.04Å; I239-F344 HydrophobicContact CG1-CE2 3.92Å; I239-F344 HydrophobicContact CG2-CD2 4.15Å
240I98.6Very high98Very high1 Ų129.5 Ų29.51%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-95.6111.6161.3-57.8168.8000106.6E212 M242 F245 A246 Y247 H342 V343E212-I240 HydrophobicContact CB-CD1 3.95Å; E212-I240 HydrophobicContact CG-CD1 3.82Å; I240-M242 PolarHBondContact O-N 2.8Å; I240-F245 HydrophobicContact CG2-CB 4.41Å; I240-F245 HydrophobicContact CG2-CD1 3.88Å; I240-F245 HydrophobicContact CG2-CE1 4.44Å; I240-F245 HydrophobicContact CG2-CG 4.33Å; I240-A246 WeakPolarHBondContact CA-O 3.19Å; I240-Y247 HydrophobicContact CG1-CD2 4.06Å; I240-H342 PolarHBondContact N-O 3.31Å; I240-V343 HydrophobicContact CB-CG2 3.84Å; I240-V343 HydrophobicContact CD1-CG2 4.25Å; I240-V343 HydrophobicContact CG2-CG2 3.75Å
241N98.1Very high97.6Very high54 Ų5430.5 Ų30.529%0.28918%0.183SC..  trans-61.4126.6-176.5-179.4-77.3000110.6D243 T244 F245 A246N241-D243 PolarHBondContact O-N 2.63Å; N241-D243 WeakPolarHBondContact OD1-CA 3.49Å; N241-D243 WeakPolarHBondContact OD1-CB 3.4Å; N241-D243 PolarHBondContact OD1-N 3.3Å; N241-T244 PolarHBondContact OD1-N 3.18Å; N241-T244 PolarHBondContact OD1-OG1 2.79Å; N241-F245 WeakPolarHBondContact O-CA 3.01Å; N241-F245 PolarHBondContact O-N 3.04Å; N241-A246 HydrophobicContact CB-CB 4.47Å; N241-A246 PolarHBondContact N-O 2.86Å
242M97.1Very high97.1Very high22 Ų2229.8 Ų29.811%0.10819%0.186CC..THydrogen-bonded Turntrans-65.8-19.4-175.561.3176.4-75.500114.8Y83 A87 F88 N89 I240 V343 K346Y83-M242 HydrophobicContact CD1-CE 4.1Å; Y83-M242 HydrophobicContact CE1-CE 4.11Å; A87-M242 WeakPolarHBondContact O-CE 3.44Å; F88-M242 HydrophobicContact CB-CB 3.88Å; N89-M242 WeakPolarHBondContact CB-O 3.38Å; N89-M242 PolarHBondContact N-O 3.24Å; I240-M242 PolarHBondContact O-N 2.8Å; M242-V343 HydrophobicContact CB-CG1 4.24Å; M242-K346 HydrophobicContact SD-CD 4.27Å; M242-K346 HydrophobicContact SD-CG 3.9Å
243D97.3Very high96.7Very high58 Ų5832.5 Ų32.531%0.3120%0.2SC..THydrogen-bonded Turntrans-96.9-41.9-175.8-53.1-45000111.7Y83 N89 E92 N241Y83-D243 VanDerWaalsContact CE1-OD1 3.25Å; Y83-D243 WeakPolarHBondContact CE1-OD1 3.35Å; Y83-D243 WeakPolarHBondContact OH-CA 3.16Å; Y83-D243 PolarHBondContact OH-OD1 3.13Å; Y83-D243 VanDerWaalsContact OH-OD1 3.05Å; N89-D243 WeakPolarHBondContact CB-O 3.46Å; N89-D243 PolarHBondContact ND2-O 2.97Å; E92-D243 WeakPolarHBondContact CG-O 3.35Å; N241-D243 PolarHBondContact O-N 2.63Å; N241-D243 WeakPolarHBondContact OD1-CA 3.49Å; N241-D243 WeakPolarHBondContact OD1-CB 3.4Å; N241-D243 PolarHBondContact OD1-N 3.3Å
244T97.5Very high96.4Very high81 Ų8134.5 Ų34.550%0.49721%0.211SC..THydrogen-bonded Turntrans-109.6-12.4-174.564.80000114.2N241 A246N241-T244 PolarHBondContact OD1-N 3.18Å; N241-T244 PolarHBondContact OD1-OG1 2.79Å; T244-A246 PolarHBondContact O-N 2.67Å; T244-A246 VanDerWaalsContact O-N 3.15Å; T244-A246 WeakPolarHBondContact OG1-CB 3.46Å; T244-A246 PolarHBondContact OG1-N 3.45Å
245F98Very high96.3Very high1 Ų134.8 Ų34.80%0.00421%0.211CC..  trans59.515.3-172-84.5-105.1000115F88 N89 E92 I96 R100 T135 I240 N241 Y247 V343F88-F245 HydrophobicContact CB-CE2 4.47Å; F88-F245 AromaticContact CD2-CE2 3.79Å; F88-F245 HydrophobicContact CD2-CE2 3.79Å; F88-F245 AromaticContact CD2-CZ 3.47Å; F88-F245 HydrophobicContact CD2-CZ 3.47Å; F88-F245 VanDerWaalsContact CD2-CZ 3.47Å; F88-F245 HydrophobicContact CE2-CE2 4.47Å; F88-F245 AromaticContact CE2-CZ 3.82Å; F88-F245 HydrophobicContact CE2-CZ 3.82Å; F88-F245 HydrophobicContact CG-CE2 4.41Å; F88-F245 HydrophobicContact CG-CZ 4.08Å; N89-F245 HydrophobicContact CB-CE2 4.5Å; N89-F245 VanDerWaalsContact O-CE2 3.23Å; N89-F245 WeakPolarHBondContact O-CE2 3.24Å; E92-F245 HydrophobicContact CB-CD2 4.13Å; I96-F245 HydrophobicContact CD1-CB 3.24Å; I96-F245 HydrophobicContact CD1-CG 4.1Å; R100-F245 PolarHBondContact NH1-O 3.4Å; R100-F245 PolarHBondContact NH2-O 2.78Å; T135-F245 HydrophobicContact CG2-CE1 3.8Å; T135-F245 HydrophobicContact CG2-CZ 4.09Å; I240-F245 HydrophobicContact CG2-CB 4.41Å; I240-F245 HydrophobicContact CG2-CD1 3.88Å; I240-F245 HydrophobicContact CG2-CE1 4.44Å; I240-F245 HydrophobicContact CG2-CG 4.33Å; N241-F245 WeakPolarHBondContact O-CA 3.01Å; N241-F245 PolarHBondContact O-N 3.04Å; F245-Y247 PolarHBondContact O-N 3.1Å; F245-V343 HydrophobicContact CE1-CG2 4.04Å; F245-V343 HydrophobicContact CZ-CG2 4.43Å
246A97.9Very high96.2Very high43 Ų4334.7 Ų34.736%0.35521%0.21SC..  trans-60.8131.5172.400000110.7I240 N241 T244 V248I240-A246 WeakPolarHBondContact CA-O 3.19Å; N241-A246 HydrophobicContact CB-CB 4.47Å; N241-A246 PolarHBondContact N-O 2.86Å; T244-A246 PolarHBondContact O-N 2.67Å; T244-A246 VanDerWaalsContact O-N 3.15Å; T244-A246 WeakPolarHBondContact OG1-CB 3.46Å; T244-A246 PolarHBondContact OG1-N 3.45Å; A246-V248 HydrophobicContact CB-CG2 4.37Å
247Y98.3Very high96.2Very high35 Ų3534.3 Ų34.314%0.13721%0.208CC..EExtended strand (participates in β ladder)trans-84.8115.1173.4-170.8-69.7000109L102 T105 E212 N214 D238 I240 F245 G341L102-Y247 HydrophobicContact CD1-CD2 3.92Å; L102-Y247 HydrophobicContact CD1-CE2 3.84Å; L102-Y247 HydrophobicContact CD2-CD2 3.81Å; L102-Y247 HydrophobicContact CD2-CG 4.12Å; L102-Y247 HydrophobicContact CG-CD2 4.41Å; T105-Y247 HydrophobicContact CG2-CD1 4.06Å; T105-Y247 HydrophobicContact CG2-CE1 3.63Å; E212-Y247 HydrophobicContact CB-CE2 4.5Å; N214-Y247 PolarHBondContact ND2-OH 3.07Å; D238-Y247 HydrophobicContact CB-CD1 4.44Å; D238-Y247 HydrophobicContact CB-CE1 3.57Å; D238-Y247 HydrophobicContact CB-CE2 4.44Å; D238-Y247 WeakPolarHBondContact CB-OH 3.49Å; D238-Y247 WeakPolarHBondContact OD2-CE1 3.47Å; D238-Y247 VanDerWaalsContact OD2-CZ 3.28Å; D238-Y247 PolarHBondContact OD2-OH 3.14Å; I240-Y247 HydrophobicContact CG1-CD2 4.06Å; F245-Y247 PolarHBondContact O-N 3.1Å; Y247-G341 VanDerWaalsContact CE2-CA 3.49Å; Y247-G341 PolarHBondContact OH-N 2.92Å
248V97.4Very high96.1Very high73 Ų7333.6 Ų33.644%0.44220%0.204SC..EExtended strand (participates in β ladder)trans-120.5127.2-173.7-177.70000109.5D238 I239 A246 A250D238-V248 WeakPolarHBondContact CB-O 3.35Å; I239-V248 HydrophobicContact CB-CB 4.39Å; I239-V248 PolarHBondContact N-O 3.44Å; I239-V248 PolarHBondContact O-N 3.28Å; A246-V248 HydrophobicContact CB-CG2 4.37Å; V248-A250 PolarHBondContact O-N 3.4Å
249A96.8Very high95.9Very high54 Ų5436.3 Ų36.345%0.44622%0.218SC..PPolyproline II helixtrans-62129.1178.100000111.1T105 D238T105-A249 HydrophobicContact CG2-CB 3.65Å; D238-A249 WeakPolarHBondContact OD1-CA 3.46Å
250A94.6Very high95.7Very high18 Ų1833.9 Ų33.915%0.14921%0.205CC..PPolyproline II helixtrans-81.4157.916700000110.6V236 I237 D238 V248 A252 R339V236-A250 HydrophobicContact CG1-CB 4.16Å; I237-A250 WeakPolarHBondContact O-CB 3.41Å; D238-A250 PolarHBondContact OD1-N 2.82Å; V248-A250 PolarHBondContact O-N 3.4Å; A250-A252 PolarHBondContact O-N 3.02Å; A250-R339 PolarHBondContact O-NH1 2.72Å
251S91.8Very high95.3Very high57 Ų5734.9 Ų34.940%0.39921%0.212SC..PPolyproline II helixtrans-64.2133.7173.21760000110.4D253S251-D253 PolarHBondContact O-N 2.89Å; S251-D253 PolarHBondContact OG-N 2.93Å
252A88.2Confident95.2Very high24 Ų2432.3 Ų32.320%0.19820%0.198CC..THydrogen-bonded Turntrans-74.8-10.5174.600000112.9A250 L254 I284 P336A250-A252 PolarHBondContact O-N 3.02Å; A252-L254 VanDerWaalsContact C-N 3.3Å; A252-I284 WeakPolarHBondContact O-CD1 3.14Å; A252-P336 HydrophobicContact CB-CB 4.35Å
253D90.6Very high95.1Very high57 Ų5736.1 Ų36.131%0.30522%0.215SC..THydrogen-bonded Turntrans-96.522.5-178.3-62.5-24.3000112.3S251 Q268 L269S251-D253 PolarHBondContact O-N 2.89Å; S251-D253 PolarHBondContact OG-N 2.93Å; D253-Q268 WeakPolarHBondContact O-CA 3.23Å; D253-L269 HydrophobicContact CB-CD1 4.47Å; D253-L269 WeakPolarHBondContact O-CG 3.4Å; D253-L269 PolarHBondContact O-N 3.29Å
254L92.9Very high95Very high42 Ų4235.1 Ų35.122%0.2221%0.208CC..EExtended strand (participates in β ladder)trans-100.9136.8175.3-65.1174.1000110.2A252 W266 E267 Q268A252-L254 VanDerWaalsContact C-N 3.3Å; L254-W266 HydrophobicContact CB-CE3 4.09Å; L254-W266 HydrophobicContact CD1-CB 4.4Å; L254-W266 HydrophobicContact CD2-CB 4.36Å; L254-E267 WeakPolarHBondContact CA-O 3.35Å; L254-Q268 HydrophobicContact CD2-CG 3.86Å
255R95.3Very high94.9Very high13 Ų1335.1 Ų35.15%0.04920%0.201CC..EExtended strand (participates in β ladder)trans-122.3162.316568.2176.8-172.8168.87.9109.8E267 L269 Q273 I284 I334 E419R255-E267 PolarHBondContact N-O 3.25Å; R255-E267 PolarHBondContact O-N 3.19Å; R255-L269 HydrophobicContact CB-CD2 4.31Å; R255-L269 HydrophobicContact CG-CD2 4.06Å; R255-Q273 VanDerWaalsContact NH1-NE2 3.12Å; R255-I284 HydrophobicContact CB-CG2 4.15Å; R255-I334 HydrophobicContact CB-CD1 4.4Å; R255-E419 IonicContact CZ-OE1 2.69Å; R255-E419 IonicContact CZ-OE2 3.29Å; R255-E419 IonicContact NH1-OE1 3.34Å; R255-E419 IonicContact NH1-OE2 3.92Å; R255-E419 IonicContact NH2-OE1 3.44Å; R255-E419 PolarHBondContact NH2-OE1 3.44Å; R255-E419 VanDerWaalsContact NH2-OE1 3.11Å; R255-E419 IonicContact NH2-OE2 2.74Å; R255-E419 PolarHBondContact NH2-OE2 2.76Å
256G97.2Very high94.7Very high0 Ų039.5 Ų39.50%022%0.218CC..EExtended strand (participates in β ladder)trans-73.5139.6173.400000110.8T286 P287 I288G256-T286 PolarHBondContact N-OG1 3.13Å; G256-P287 WeakPolarHBondContact O-CD 3.34Å; G256-I288 WeakPolarHBondContact CA-O 3.14Å
257G97.4Very high94.6Very high0 Ų039.2 Ų39.20%021%0.209CC..EExtended strand (participates in β ladder)trans-138.4177.8169.700000110.9K265 I288 Y417G257-K265 CarbonylContact C-O 3.48Å; G257-K265 PolarHBondContact N-O 2.95Å; G257-K265 PolarHBondContact O-N 2.97Å; G257-I288 VanDerWaalsContact N-CG2 3.33Å; G257-I288 WeakPolarHBondContact O-CG2 3.38Å; G257-Y417 WeakPolarHBondContact CA-OH 3.38Å
258F97.1Very high94.3Very high0 Ų044 Ų440%023%0.233CC..EExtended strand (participates in β ladder)trans-152.9163.8176.767.3-84.3000112.2L262 H263 K265 I288 F319 F323 F409 Y412 Y417 L420F258-L262 HydrophobicContact CD2-CD2 3.95Å; F258-L262 HydrophobicContact CE2-CD2 3.99Å; F258-H263 WeakPolarHBondContact CA-O 3.4Å; F258-H263 VanDerWaalsContact CB-O 3.28Å; F258-H263 WeakPolarHBondContact CB-O 3.35Å; F258-K265 VanDerWaalsContact C-CE 3.49Å; F258-K265 VanDerWaalsContact O-CE 3.32Å; F258-K265 WeakPolarHBondContact O-CE 3.22Å; F258-I288 HydrophobicContact CD1-CB 4.34Å; F258-I288 HydrophobicContact CD1-CG2 4.28Å; F258-F319 HydrophobicContact CB-CD1 4.48Å; F258-F319 HydrophobicContact CB-CE1 3.59Å; F258-F319 HydrophobicContact CB-CZ 4.41Å; F258-F319 HydrophobicContact CD2-CE1 4.4Å; F258-F319 HydrophobicContact CG-CD1 4.41Å; F258-F319 AromaticContact CG-CE1 3.96Å; F258-F319 HydrophobicContact CG-CE1 3.96Å; F258-F323 AromaticContact CE1-CE1 3.65Å; F258-F323 HydrophobicContact CE1-CE1 3.65Å; F258-F323 AromaticContact CE1-CZ 3.99Å; F258-F323 HydrophobicContact CE1-CZ 3.99Å; F258-F323 HydrophobicContact CE2-CE1 4.4Å; F258-F323 AromaticContact CE2-CZ 3.92Å; F258-F323 HydrophobicContact CE2-CZ 3.92Å; F258-F323 AromaticContact CZ-CE1 3.6Å; F258-F323 HydrophobicContact CZ-CE1 3.6Å; F258-F323 AromaticContact CZ-CZ 3.55Å; F258-F323 HydrophobicContact CZ-CZ 3.55Å; F258-F409 HydrophobicContact CZ-CZ 4.27Å; F258-Y412 HydrophobicContact CE1-CE1 4.18Å; F258-Y412 HydrophobicContact CZ-CE1 4.22Å; F258-Y417 HydrophobicContact CD1-CD1 4Å; F258-Y417 AromaticContact CD1-CE1 3.61Å; F258-Y417 HydrophobicContact CD1-CE1 3.61Å; F258-Y417 AromaticContact CE1-CD1 3.51Å; F258-Y417 HydrophobicContact CE1-CD1 3.51Å; F258-Y417 AromaticContact CE1-CE1 3.61Å; F258-Y417 HydrophobicContact CE1-CE1 3.61Å; F258-Y417 HydrophobicContact CG-CE1 4.33Å; F258-Y417 HydrophobicContact CZ-CD1 4.14Å; F258-Y417 HydrophobicContact CZ-CE1 4.33Å; F258-Y417 PolarHBondContact N-OH 3.36Å; F258-L420 HydrophobicContact CD2-CD2 4.28Å; F258-L420 HydrophobicContact CE1-CD2 4.24Å; F258-L420 HydrophobicContact CE2-CD2 3.57Å; F258-L420 HydrophobicContact CZ-CD2 3.53Å; F258-L420 WeakPolarHBondContact O-CD1 2.98Å
259D93.7Very high94.1Very high56 Ų5641 Ų4130%0.29921%0.214SC..EExtended strand (participates in β ladder)trans-105.7169.3168.965.537.1000111.7S261 L262 H263D259-S261 PolarHBondContact O-N 3.06Å; D259-S261 WeakPolarHBondContact OD1-CA 3.26Å; D259-S261 VanDerWaalsContact OD1-CB 3.24Å; D259-S261 WeakPolarHBondContact OD1-CB 3.21Å; D259-S261 PolarHBondContact OD1-N 2.93Å; D259-S261 PolarHBondContact OD1-OG 3.5Å; D259-L262 WeakPolarHBondContact O-CA 3.45Å; D259-L262 PolarHBondContact O-N 2.78Å; D259-H263 PolarHBondContact N-O 3.28Å; D259-H263 PolarHBondContact OD1-N 3.25Å
260W93.3Very high93.8Very high23 Ų2340.8 Ų40.89%0.08721%0.208CC..THydrogen-bonded Turntrans-60.5-17.9-177.7-68.1102.3000114.1L262 M372 F375 F378 Y379 A382 F409 L413 L420 K421 V422 P423W260-L262 PolarHBondContact O-N 2.65Å; W260-L262 VanDerWaalsContact O-N 3.13Å; W260-M372 HydrophobicContact CE3-CE 4.06Å; W260-M372 HydrophobicContact CZ3-CE 3.94Å; W260-F375 HydrophobicContact CH2-CB 4.33Å; W260-F375 AromaticContact CH2-CD1 3.99Å; W260-F375 HydrophobicContact CH2-CD1 3.99Å; W260-F375 HydrophobicContact CZ3-CB 3.97Å; W260-F375 HydrophobicContact CZ3-CD1 4.44Å; W260-F378 HydrophobicContact CB-CB 4.31Å; W260-F378 HydrophobicContact CD2-CB 3.75Å; W260-F378 HydrophobicContact CD2-CG 4.43Å; W260-F378 HydrophobicContact CE3-CB 3.45Å; W260-F378 VanDerWaalsContact CE3-CB 3.45Å; W260-F378 HydrophobicContact CE3-CD2 4.3Å; W260-F378 HydrophobicContact CE3-CG 4.22Å; W260-F378 HydrophobicContact CG-CB 4.13Å; W260-F378 HydrophobicContact CH2-CD2 4.23Å; W260-F378 HydrophobicContact CZ3-CB 4.01Å; W260-F378 HydrophobicContact CZ3-CD2 4.01Å; W260-F378 HydrophobicContact CZ3-CG 4.39Å; W260-Y379 WeakPolarHBondContact O-CA 3.5Å; W260-Y379 WeakPolarHBondContact O-CB 3.48Å; W260-A382 HydrophobicContact CB-CB 4.05Å; W260-F409 HydrophobicContact CH2-CE1 4.21Å; W260-F409 HydrophobicContact CZ3-CE1 4.06Å; W260-L413 HydrophobicContact CH2-CD1 3.97Å; W260-L413 HydrophobicContact CH2-CD2 4.2Å; W260-L420 HydrophobicContact CH2-CD2 4.28Å; W260-L420 HydrophobicContact CZ2-CD2 3.91Å; W260-L420 HydrophobicContact CZ2-CG 3.88Å; W260-K421 PolarHBondContact NE1-O 3.12Å; W260-V422 HydrophobicContact CH2-CG2 4.27Å; W260-V422 HydrophobicContact CZ2-CB 4.22Å; W260-V422 HydrophobicContact CZ2-CG1 4.47Å; W260-V422 HydrophobicContact CZ2-CG2 3.89Å; W260-P423 HydrophobicContact CD2-CG 4.46Å; W260-P423 HydrophobicContact CG-CG 4.05Å; W260-P423 VanDerWaalsContact NE1-CD 3.34Å
261S91.7Very high93.5Very high21 Ų2144 Ų4415%0.14723%0.234CC..THydrogen-bonded Turntrans-74.63.4172.886.60000113.5D259 H263 R383D259-S261 PolarHBondContact O-N 3.06Å; D259-S261 WeakPolarHBondContact OD1-CA 3.26Å; D259-S261 VanDerWaalsContact OD1-CB 3.24Å; D259-S261 WeakPolarHBondContact OD1-CB 3.21Å; D259-S261 PolarHBondContact OD1-N 2.93Å; D259-S261 PolarHBondContact OD1-OG 3.5Å; S261-H263 VanDerWaalsContact C-N 3.33Å; S261-H263 WeakPolarHBondContact OG-CB 3.37Å; S261-R383 PolarHBondContact O-NE 3.32Å; S261-R383 VanDerWaalsContact O-NE 3.12Å; S261-R383 PolarHBondContact O-NH2 2.88Å
262L96Very high93.4Very high0 Ų047.6 Ų47.60%024%0.244CC..THydrogen-bonded Turntrans53.648.9-168-65.2177.1000110.8F258 D259 W260 F319 F323 Y360 T364 A368 M372 Y379F258-L262 HydrophobicContact CD2-CD2 3.95Å; F258-L262 HydrophobicContact CE2-CD2 3.99Å; D259-L262 WeakPolarHBondContact O-CA 3.45Å; D259-L262 PolarHBondContact O-N 2.78Å; W260-L262 PolarHBondContact O-N 2.65Å; W260-L262 VanDerWaalsContact O-N 3.13Å; L262-F319 VanDerWaalsContact C-CZ 3.45Å; L262-F319 HydrophobicContact CB-CE1 4.42Å; L262-F319 HydrophobicContact CB-CE2 4.4Å; L262-F319 HydrophobicContact CB-CZ 4.36Å; L262-F319 HydrophobicContact CD2-CD1 3.98Å; L262-F319 HydrophobicContact CD2-CE1 4.38Å; L262-F319 HydrophobicContact CD2-CG 4.38Å; L262-F319 WeakPolarHBondContact O-CE2 3.17Å; L262-F319 WeakPolarHBondContact O-CZ 3.48Å; L262-F323 HydrophobicContact CD2-CE2 4.09Å; L262-F323 HydrophobicContact CD2-CZ 3.97Å; L262-Y360 PolarHBondContact O-OH 3.17Å; L262-T364 HydrophobicContact CB-CG2 4.08Å; L262-T364 HydrophobicContact CD1-CG2 4.33Å; L262-A368 HydrophobicContact CD1-CB 4.33Å; L262-M372 HydrophobicContact CD1-SD 3.95Å; L262-M372 HydrophobicContact CD2-CE 4.45Å; L262-M372 HydrophobicContact CD2-SD 3.94Å; L262-M372 HydrophobicContact CG-SD 4.28Å; L262-Y379 HydrophobicContact CB-CD2 4.16Å; L262-Y379 HydrophobicContact CB-CE2 4.27Å; L262-Y379 HydrophobicContact CD1-CD2 3.73Å; L262-Y379 HydrophobicContact CD1-CE2 3.94Å; L262-Y379 HydrophobicContact CD1-CG 4.34Å; L262-Y379 HydrophobicContact CG-CD2 3.72Å; L262-Y379 HydrophobicContact CG-CE2 4.2Å
263H94.2Very high93.4Very high102 Ų10248.5 Ų48.547%0.47225%0.245SC..EExtended strand (participates in β ladder)trans-102130.7169.7-177.271.6000110.2F258 D259 S261F258-H263 WeakPolarHBondContact CA-O 3.4Å; F258-H263 VanDerWaalsContact CB-O 3.28Å; F258-H263 WeakPolarHBondContact CB-O 3.35Å; D259-H263 PolarHBondContact N-O 3.28Å; D259-H263 PolarHBondContact OD1-N 3.25Å; S261-H263 VanDerWaalsContact C-N 3.33Å; S261-H263 WeakPolarHBondContact OG-CB 3.37Å
264F95.9Very high93.3Very high38 Ų3849.3 Ų49.317%0.16725%0.245CC..EExtended strand (participates in β ladder)trans-78.1138-178.4172.9-88.3000109.8W266 I288 A290 F319F264-W266 AromaticContact CE1-CD2 3.95Å; F264-W266 HydrophobicContact CE1-CD2 3.95Å; F264-W266 AromaticContact CE1-CE2 3.64Å; F264-W266 HydrophobicContact CE1-CG 4.21Å; F264-W266 HydrophobicContact CE1-CZ2 4.04Å; F264-W266 AromaticContact CE1-NE1 3.7Å; F264-W266 AromaticContact CZ-CD2 3.89Å; F264-W266 HydrophobicContact CZ-CD2 3.89Å; F264-W266 AromaticContact CZ-CE2 3.77Å; F264-W266 HydrophobicContact CZ-CE3 4.07Å; F264-W266 HydrophobicContact CZ-CH2 4.06Å; F264-W266 AromaticContact CZ-CZ2 3.87Å; F264-W266 HydrophobicContact CZ-CZ2 3.87Å; F264-W266 HydrophobicContact CZ-CZ3 4.15Å; F264-I288 HydrophobicContact CD2-CG1 4.35Å; F264-I288 HydrophobicContact CD2-CG2 3.92Å; F264-I288 HydrophobicContact CE2-CG2 3.92Å; F264-A290 HydrophobicContact CE1-CB 4.25Å; F264-A290 HydrophobicContact CE2-CB 4.21Å; F264-A290 HydrophobicContact CZ-CB 3.85Å; F264-F319 HydrophobicContact CB-CZ 4.01Å
265K93.9Very high93.1Very high81 Ų8151.1 Ų51.135%0.35227%0.266SS..EExtended strand (participates in β ladder)trans-139.7153.9173.756.1176.1171.8158.80110.5G257 F258 E267G257-K265 CarbonylContact C-O 3.48Å; G257-K265 PolarHBondContact N-O 2.95Å; G257-K265 PolarHBondContact O-N 2.97Å; F258-K265 VanDerWaalsContact C-CE 3.49Å; F258-K265 VanDerWaalsContact O-CE 3.32Å; F258-K265 WeakPolarHBondContact O-CE 3.22Å; K265-E267 HydrophobicContact CD-CG 4.32Å; K265-E267 WeakPolarHBondContact CE-OE1 3.15Å; K265-E267 HydrophobicContact CG-CG 4.25Å; K265-E267 IonicContact NZ-OE1 2.75Å; K265-E267 PolarHBondContact NZ-OE1 3.17Å
266W94.6Very high92.8Very high93 Ų9359.9 Ų59.935%0.35230%0.299SS..EExtended strand (participates in β ladder)trans-85.9129.6168.1-67.1108000109.5I237 L254 F264 A290 I334I237-W266 HydrophobicContact CD1-CH2 4.15Å; I237-W266 HydrophobicContact CD1-CZ2 4.16Å; L254-W266 HydrophobicContact CB-CE3 4.09Å; L254-W266 HydrophobicContact CD1-CB 4.4Å; L254-W266 HydrophobicContact CD2-CB 4.36Å; F264-W266 AromaticContact CE1-CD2 3.95Å; F264-W266 HydrophobicContact CE1-CD2 3.95Å; F264-W266 AromaticContact CE1-CE2 3.64Å; F264-W266 HydrophobicContact CE1-CG 4.21Å; F264-W266 HydrophobicContact CE1-CZ2 4.04Å; F264-W266 AromaticContact CE1-NE1 3.7Å; F264-W266 AromaticContact CZ-CD2 3.89Å; F264-W266 HydrophobicContact CZ-CD2 3.89Å; F264-W266 AromaticContact CZ-CE2 3.77Å; F264-W266 HydrophobicContact CZ-CE3 4.07Å; F264-W266 HydrophobicContact CZ-CH2 4.06Å; F264-W266 AromaticContact CZ-CZ2 3.87Å; F264-W266 HydrophobicContact CZ-CZ2 3.87Å; F264-W266 HydrophobicContact CZ-CZ3 4.15Å; W266-A290 HydrophobicContact CH2-CB 4.37Å; W266-A290 HydrophobicContact CZ2-CB 4.19Å; W266-I334 HydrophobicContact CZ3-CD1 4.24Å
267E94.6Very high92.4Very high37 Ų3761.9 Ų61.917%0.17331%0.307CS..EExtended strand (participates in β ladder)trans-115.7138.1176.9-63.5-169.1153.800110.2L254 R255 K265 Y417L254-E267 WeakPolarHBondContact CA-O 3.35Å; R255-E267 PolarHBondContact N-O 3.25Å; R255-E267 PolarHBondContact O-N 3.19Å; K265-E267 HydrophobicContact CD-CG 4.32Å; K265-E267 WeakPolarHBondContact CE-OE1 3.15Å; K265-E267 HydrophobicContact CG-CG 4.25Å; K265-E267 IonicContact NZ-OE1 2.75Å; K265-E267 PolarHBondContact NZ-OE1 3.17Å; E267-Y417 PolarHBondContact OE1-OH 2.96Å; E267-Y417 WeakPolarHBondContact OE2-CE2 3.38Å; E267-Y417 PolarHBondContact OE2-OH 3.29Å
268Q93.9Very high92Very high134 Ų13467.5 Ų67.563%0.62634%0.342SS*.EExtended strand (participates in β ladder)trans-71.7143.8169.3-68-164.135.600110.2D253 L254 K274D253-Q268 WeakPolarHBondContact O-CA 3.23Å; L254-Q268 HydrophobicContact CD2-CG 3.86Å; Q268-K274 VanDerWaalsContact OE1-NZ 3.1Å
269L92Very high91.8Very high10 Ų1069 Ų695%0.05235%0.35CS..PPolyproline II helixtrans-56.2140167.2-64.3-178.4000110.7D253 R255 Q273 K274 I284D253-L269 HydrophobicContact CB-CD1 4.47Å; D253-L269 WeakPolarHBondContact O-CG 3.4Å; D253-L269 PolarHBondContact O-N 3.29Å; R255-L269 HydrophobicContact CB-CD2 4.31Å; R255-L269 HydrophobicContact CG-CD2 4.06Å; L269-Q273 HydrophobicContact CB-CB 4.08Å; L269-Q273 HydrophobicContact CD2-CB 4.47Å; L269-K274 HydrophobicContact CB-CG 3.79Å; L269-K274 WeakPolarHBondContact O-CE 3.42Å; L269-I284 HydrophobicContact CD1-CD1 4.07Å; L269-I284 HydrophobicContact CD1-CG1 4.4Å; L269-I284 HydrophobicContact CD1-CG2 4.44Å; L269-I284 HydrophobicContact CD2-CG2 3.89Å
270T90.3Very high91.7Very high51 Ų5168.2 Ų68.231%0.31335%0.348SS..PPolyproline II helixtrans-64.2160.317669.40000110.7E272 Q273 K274T270-E272 PolarHBondContact O-N 3.13Å; T270-Q273 PolarHBondContact O-N 2.87Å; T270-Q273 VanDerWaalsContact O-N 3.12Å; T270-Q273 VanDerWaalsContact OG1-CG 3.31Å; T270-Q273 WeakPolarHBondContact OG1-CG 3.41Å; T270-Q273 PolarHBondContact OG1-N 2.95Å; T270-Q273 PolarHBondContact OG1-OE1 3.37Å; T270-K274 WeakPolarHBondContact O-CG 3.48Å; T270-K274 PolarHBondContact O-N 2.73Å
271A89.9Confident91.8Very high84 Ų8467.9 Ų67.969%0.69435%0.348SS*.Hα-helixtrans-55.7-38.5177.200000111.9K274 A275A271-K274 PolarHBondContact O-N 3.38Å; A271-A275 WeakPolarHBondContact O-CB 3.48Å; A271-A275 PolarHBondContact O-N 2.82Å
272E88.3Confident91.9Very high134 Ų13470.9 Ų70.963%0.62636%0.36SS*.Hα-helixtrans-66-43.9176.3-64.2172.5-165.600112.5T270 K274 A275 R276T270-E272 PolarHBondContact O-N 3.13Å; E272-K274 VanDerWaalsContact C-N 3.34Å; E272-A275 PolarHBondContact O-N 2.83Å; E272-R276 WeakPolarHBondContact O-CG 3.45Å; E272-R276 PolarHBondContact O-N 3.01Å
273Q89.3Confident91.9Very high43 Ų4373 Ų7320%0.20137%0.374CS..Hα-helixtrans-63.9-41176.7-74.4166.6-13.600111.6R255 L269 T270 R276 R277 E419R255-Q273 VanDerWaalsContact NH1-NE2 3.12Å; L269-Q273 HydrophobicContact CB-CB 4.08Å; L269-Q273 HydrophobicContact CD2-CB 4.47Å; T270-Q273 PolarHBondContact O-N 2.87Å; T270-Q273 VanDerWaalsContact O-N 3.12Å; T270-Q273 VanDerWaalsContact OG1-CG 3.31Å; T270-Q273 WeakPolarHBondContact OG1-CG 3.41Å; T270-Q273 PolarHBondContact OG1-N 2.95Å; T270-Q273 PolarHBondContact OG1-OE1 3.37Å; Q273-R276 PolarHBondContact O-N 3.37Å; Q273-R277 PolarHBondContact O-N 2.84Å; Q273-E419 PolarHBondContact NE2-OE1 2.04Å
274K88.3Confident92Very high73 Ų7368.5 Ų68.532%0.31735%0.353SS..Hα-helixtrans-63.4-45.8174.4-70.2178.8177.7175.60111.1Q268 L269 T270 A271 E272 R276 R277Q268-K274 VanDerWaalsContact OE1-NZ 3.1Å; L269-K274 HydrophobicContact CB-CG 3.79Å; L269-K274 WeakPolarHBondContact O-CE 3.42Å; T270-K274 WeakPolarHBondContact O-CG 3.48Å; T270-K274 PolarHBondContact O-N 2.73Å; A271-K274 PolarHBondContact O-N 3.38Å; E272-K274 VanDerWaalsContact C-N 3.34Å; K274-R276 VanDerWaalsContact C-N 3.31Å; K274-R276 PolarHBondContact O-N 2.89Å; K274-R277 PolarHBondContact O-N 3.17Å; K274-R277 VanDerWaalsContact O-N 3.09Å
275A88.3Confident92.1Very high80 Ų8073.3 Ų73.366%0.66137%0.373SS*.Hα-helixtrans-63.5-34.4179.300000113.1A271 E272 R277A271-A275 WeakPolarHBondContact O-CB 3.48Å; A271-A275 PolarHBondContact O-N 2.82Å; E272-A275 PolarHBondContact O-N 2.83Å; A275-R277 VanDerWaalsContact C-N 3.28Å; A275-R277 PolarHBondContact O-N 2.99Å
276R88.9Confident92.3Very high197 Ų19769.5 Ų69.574%0.74336%0.357SS*.Hα-helixtrans-70.7-21.1175.2-71.2176.4-170.6-176.16.4113.2E272 Q273 K274 T278E272-R276 WeakPolarHBondContact O-CG 3.45Å; E272-R276 PolarHBondContact O-N 3.01Å; Q273-R276 PolarHBondContact O-N 3.37Å; K274-R276 VanDerWaalsContact C-N 3.31Å; K274-R276 PolarHBondContact O-N 2.89Å; R276-T278 PolarHBondContact O-N 3.02Å
277R89.4Confident92.5Very high42 Ų4265.1 Ų65.116%0.15834%0.34CS..  trans-88.187.8177.8-77.5177.665.480-2.1110.9Q273 K274 A275 D279 P280 Q282 P283Q273-R277 PolarHBondContact O-N 2.84Å; K274-R277 PolarHBondContact O-N 3.17Å; K274-R277 VanDerWaalsContact O-N 3.09Å; A275-R277 VanDerWaalsContact C-N 3.28Å; A275-R277 PolarHBondContact O-N 2.99Å; R277-D279 VanDerWaalsContact C-N 3.27Å; R277-P280 VanDerWaalsContact NH2-C 3.25Å; R277-P280 PolarHBondContact NH2-O 2.96Å; R277-Q282 VanDerWaalsContact CZ-O 3.23Å; R277-Q282 VanDerWaalsContact NH1-C 3.35Å; R277-Q282 PolarHBondContact NH1-O 3.48Å; R277-Q282 PolarHBondContact NH2-O 2.76Å; R277-P283 PolarHBondContact NH1-O 2.82Å; R277-P283 VanDerWaalsContact NH1-O 3.16Å
278T88.3Confident92.6Very high119 Ų11963.3 Ų63.373%0.7333%0.332SS*.SBendtrans-73.6-20.7171.956.60000113.1R276R276-T278 PolarHBondContact O-N 3.02Å
279D92.5Very high92.8Very high32 Ų3257.1 Ų57.117%0.17130%0.303CS..  trans-119.3112.8175.6-177.8-2.3000110.8R109 R277 T281 Q282R109-D279 IonicContact CZ-OD1 2.87Å; R109-D279 IonicContact NH1-OD1 2.74Å; R277-D279 VanDerWaalsContact C-N 3.27Å; D279-T281 PolarHBondContact O-N 2.68Å; D279-T281 VanDerWaalsContact O-N 3.12Å; D279-T281 WeakPolarHBondContact OD1-CB 3.38Å; D279-T281 WeakPolarHBondContact OD1-CG2 3.3Å; D279-T281 PolarHBondContact OD1-N 3.49Å; D279-T281 PolarHBondContact OD1-OG1 2.83Å; D279-T281 PolarHBondContact OD2-OG1 2.83Å; D279-Q282 HydrophobicContact CB-CG 3.97Å; D279-Q282 PolarHBondContact O-N 2.85Å
280P92.3Very high93Very high39 Ų3958.3 Ų58.325%0.25331%0.314SS..THydrogen-bonded Turntrans-68.4-8.8-178.629.7-35.9000113.3H107 R277 P336H107-P280 VanDerWaalsContact CE1-CG 3.48Å; H107-P280 WeakPolarHBondContact CE1-CG 3.38Å; R277-P280 VanDerWaalsContact NH2-C 3.25Å; R277-P280 PolarHBondContact NH2-O 2.96Å; P280-P336 WeakPolarHBondContact O-CB 3.42Å; P280-P336 WeakPolarHBondContact O-CG 3.42Å
281T94.7Very high93Very high15 Ų1555.9 Ų55.99%0.09230%0.3CS..THydrogen-bonded Turntrans-85.3-15.1177.172.30000113.7R109 L113 D279 C337R109-T281 HydrophobicContact CB-CG2 3.61Å; L113-T281 HydrophobicContact CD1-CG2 4.4Å; D279-T281 PolarHBondContact O-N 2.68Å; D279-T281 VanDerWaalsContact O-N 3.12Å; D279-T281 WeakPolarHBondContact OD1-CB 3.38Å; D279-T281 WeakPolarHBondContact OD1-CG2 3.3Å; D279-T281 PolarHBondContact OD1-N 3.49Å; D279-T281 PolarHBondContact OD1-OG1 2.83Å; D279-T281 PolarHBondContact OD2-OG1 2.83Å; T281-C337 VanDerWaalsContact CB-SG 3.53Å
282Q94.8Very high93.1Very high85 Ų8552.4 Ų52.440%0.39727%0.272SS..SBendtrans-61.6150.5-176.1-77-178.6-0.400112R277 D279 P336R277-Q282 VanDerWaalsContact CZ-O 3.23Å; R277-Q282 VanDerWaalsContact NH1-C 3.35Å; R277-Q282 PolarHBondContact NH1-O 3.48Å; R277-Q282 PolarHBondContact NH2-O 2.76Å; D279-Q282 HydrophobicContact CB-CG 3.97Å; D279-Q282 PolarHBondContact O-N 2.85Å; Q282-P336 VanDerWaalsContact O-CD 3.25Å; Q282-P336 WeakPolarHBondContact O-CD 3.45Å; Q282-P336 WeakPolarHBondContact O-CG 2.99Å
283P96.1Very high93.6Very high45 Ų4546.2 Ų46.229%0.29224%0.243SC..  trans-56.4147.1170.9-23.332.9000112.6R277 E333 L335R277-P283 PolarHBondContact NH1-O 2.82Å; R277-P283 VanDerWaalsContact NH1-O 3.16Å; P283-E333 HydrophobicContact CB-CB 4.33Å; P283-L335 HydrophobicContact CB-CD2 3.54Å; P283-L335 HydrophobicContact CG-CD2 3.74Å
284I96.8Very high94Very high7 Ų744.2 Ų44.24%0.03623%0.234CC..EExtended strand (participates in β ladder)trans-110.8118.4174.2-62.5167.8000108A252 R255 L269 T286 E333 I334 P336A252-I284 WeakPolarHBondContact O-CD1 3.14Å; R255-I284 HydrophobicContact CB-CG2 4.15Å; L269-I284 HydrophobicContact CD1-CD1 4.07Å; L269-I284 HydrophobicContact CD1-CG1 4.4Å; L269-I284 HydrophobicContact CD1-CG2 4.44Å; L269-I284 HydrophobicContact CD2-CG2 3.89Å; I284-T286 PolarHBondContact O-N 3.28Å; I284-E333 CarbonylContact O-C 3.51Å; I284-E333 VanDerWaalsContact O-CA 3.27Å; I284-E333 WeakPolarHBondContact O-CA 3.47Å; I284-I334 HydrophobicContact CB-CB 4.41Å; I284-I334 PolarHBondContact N-O 2.57Å; I284-I334 PolarHBondContact O-N 2.83Å; I284-P336 HydrophobicContact CD1-CG 4.09Å; I284-P336 HydrophobicContact CG1-CG 4.42Å
285K96.9Very high94.5Very high138 Ų13840.8 Ų40.860%0.622%0.219SC*.EExtended strand (participates in β ladder)trans-66.6129.6170.4-72.9-176.1172.7-172.60109.6W326 L332K285-W326 HydrophobicContact CB-CH2 4.37Å; K285-W326 HydrophobicContact CB-CZ2 4.49Å; K285-W326 HydrophobicContact CD-CH2 4.07Å; K285-W326 HydrophobicContact CG-CH2 4.27Å; K285-L332 WeakPolarHBondContact CA-O 3.5Å
286T98.3Very high95.1Very high1 Ų137 Ų371%0.00619%0.187CC..  trans-119.5132-178.4-169.90000110.8G256 I284 I288 I289 W326 L332 I334G256-T286 PolarHBondContact N-OG1 3.13Å; I284-T286 PolarHBondContact O-N 3.28Å; T286-I288 WeakPolarHBondContact CG2-O 3.44Å; T286-I288 PolarHBondContact O-N 3.03Å; T286-I288 PolarHBondContact OG1-O 2.58Å; T286-I289 HydrophobicContact CG2-CG2 3.89Å; T286-W326 WeakPolarHBondContact O-CZ2 3.3Å; T286-W326 PolarHBondContact O-NE1 3.32Å; T286-L332 HydrophobicContact CG2-CB 3.67Å; T286-L332 PolarHBondContact N-O 2.97Å; T286-L332 WeakPolarHBondContact O-CB 3.32Å; T286-I334 HydrophobicContact CG2-CD1 4.12Å; T286-I334 HydrophobicContact CG2-CG1 3.96Å
287P98.2Very high95.5Very high1 Ų127.8 Ų27.81%0.00615%0.153CC..SBendtrans-55.7-42.4172.9-28.333.8000113G256 W326 Y412 V416 Y417G256-P287 WeakPolarHBondContact O-CD 3.34Å; P287-W326 PolarHBondContact O-NE1 2.95Å; P287-Y412 WeakPolarHBondContact CB-OH 3.22Å; P287-Y412 PolarHBondContact O-OH 3.12Å; P287-V416 HydrophobicContact CB-CG1 4.45Å; P287-Y417 HydrophobicContact CB-CD1 3.78Å; P287-Y417 HydrophobicContact CB-CD2 4.05Å; P287-Y417 HydrophobicContact CB-CE1 4.27Å; P287-Y417 HydrophobicContact CB-CG 3.64Å; P287-Y417 HydrophobicContact CG-CD1 4.15Å; P287-Y417 HydrophobicContact CG-CD2 3.49Å; P287-Y417 VanDerWaalsContact CG-CD2 3.49Å; P287-Y417 HydrophobicContact CG-CE2 3.94Å; P287-Y417 HydrophobicContact CG-CG 3.61Å
288I98.3Very high96Very high0 Ų029.8 Ų29.80%016%0.161CC..BIsolated β-bridgetrans-138145.1-173.8-167.581.8000109.6G256 G257 F258 F264 T286 F319 S322 F323G256-I288 WeakPolarHBondContact CA-O 3.14Å; G257-I288 VanDerWaalsContact N-CG2 3.33Å; G257-I288 WeakPolarHBondContact O-CG2 3.38Å; F258-I288 HydrophobicContact CD1-CB 4.34Å; F258-I288 HydrophobicContact CD1-CG2 4.28Å; F264-I288 HydrophobicContact CD2-CG1 4.35Å; F264-I288 HydrophobicContact CD2-CG2 3.92Å; F264-I288 HydrophobicContact CE2-CG2 3.92Å; T286-I288 WeakPolarHBondContact CG2-O 3.44Å; T286-I288 PolarHBondContact O-N 3.03Å; T286-I288 PolarHBondContact OG1-O 2.58Å; I288-F319 HydrophobicContact CD1-CB 4.34Å; I288-F319 HydrophobicContact CD1-CD1 3.68Å; I288-F319 HydrophobicContact CD1-CE1 4.32Å; I288-F319 HydrophobicContact CD1-CG 4.25Å; I288-F319 HydrophobicContact CG1-CD1 4.18Å; I288-F319 HydrophobicContact CG1-CE1 4.34Å; I288-S322 WeakPolarHBondContact CD1-OG 3.35Å; I288-F323 HydrophobicContact CD1-CE1 4.34Å
289I98Very high96.5Very high4 Ų428 Ų282%0.02115%0.153CC..  trans-96.1155.5166.857.1167.6000110.6T286 G291 F294 N318 I321 S322 L332T286-I289 HydrophobicContact CG2-CG2 3.89Å; I289-G291 PolarHBondContact O-N 3.05Å; I289-F294 HydrophobicContact CD1-CB 4.11Å; I289-F294 HydrophobicContact CD1-CD1 3.99Å; I289-F294 HydrophobicContact CD1-CG 4Å; I289-N318 PolarHBondContact O-ND2 2.92Å; I289-I321 HydrophobicContact CD1-CG2 4.34Å; I289-S322 WeakPolarHBondContact CG1-OG 3.48Å; I289-S322 PolarHBondContact N-OG 3.48Å; I289-L332 HydrophobicContact CG2-CB 4.21Å; I289-L332 HydrophobicContact CG2-CD1 4.21Å; I289-L332 HydrophobicContact CG2-CD2 4.45Å
290A94.9Very high96.8Very high34 Ų3427.9 Ų27.928%0.28115%0.15SC..  trans-62.8-25.1171.900000112.2I237 F264 W266 G292I237-A290 HydrophobicContact CD1-CB 4.04Å; F264-A290 HydrophobicContact CE1-CB 4.25Å; F264-A290 HydrophobicContact CE2-CB 4.21Å; F264-A290 HydrophobicContact CZ-CB 3.85Å; W266-A290 HydrophobicContact CH2-CB 4.37Å; W266-A290 HydrophobicContact CZ2-CB 4.19Å; A290-G292 VanDerWaalsContact C-N 3.33Å; A290-G292 PolarHBondContact O-N 3.36Å
291G91.1Very high97.1Very high1 Ų126.1 Ų26.11%0.0114%0.138CC..SBendtrans90.1-23.617500000114.7R192 I289 F294R192-G291 PolarHBondContact NH1-O 3.19Å; R192-G291 PolarHBondContact NH2-O 3.26Å; I289-G291 PolarHBondContact O-N 3.05Å; G291-F294 WeakPolarHBondContact O-CE1 3.19Å
292G91.8Very high97.3Very high10 Ų1028.6 Ų28.610%0.10315%0.151CC..SBendtrans-64.3-41.5177.800000114.2R192 A290R192-G292 PolarHBondContact NH2-O 3.36Å; R192-G292 VanDerWaalsContact NH2-O 3.08Å; A290-G292 VanDerWaalsContact C-N 3.33Å; A290-G292 PolarHBondContact O-N 3.36Å
293L98.4Very high97.4Very high4 Ų429.6 Ų29.62%0.02116%0.155CC..SBendtrans-133.5111.2-167.5-61.988.6000110.7F206 L207 S234 P235 I237 V340F206-L293 WeakPolarHBondContact O-CA 3.48Å; L207-L293 HydrophobicContact CD2-CB 4.46Å; L207-L293 HydrophobicContact CD2-CD2 3.8Å; L207-L293 HydrophobicContact CD2-CG 4.12Å; S234-L293 WeakPolarHBondContact CB-O 3.49Å; S234-L293 PolarHBondContact OG-O 3.38Å; P235-L293 HydrophobicContact CG-CB 4.06Å; P235-L293 HydrophobicContact CG-CD2 4.25Å; I237-L293 HydrophobicContact CD1-CB 4.49Å; I237-L293 HydrophobicContact CD1-CD1 3.92Å; I237-L293 HydrophobicContact CG1-CD1 4.41Å; L293-V340 HydrophobicContact CD2-CB 3.75Å; L293-V340 HydrophobicContact CD2-CG1 3.37Å; L293-V340 HydrophobicContact CD2-CG2 4.45Å
294F98.8Very high97.6Very high2 Ų227.5 Ų27.51%0.00914%0.142CC..EExtended strand (participates in β ladder)trans-161.8162.6176.167.5-82.9000112.3F206 V232 V233 S234 I289 G291 I296 Y307 I321F206-F294 HydrophobicContact CB-CD1 4.19Å; F206-F294 HydrophobicContact CB-CE1 3.96Å; F206-F294 HydrophobicContact CB-CZ 4.34Å; F206-F294 HydrophobicContact CD2-CD1 4.34Å; F206-F294 HydrophobicContact CD2-CD2 4.01Å; F206-F294 AromaticContact CD2-CE1 3.76Å; F206-F294 HydrophobicContact CD2-CE1 3.76Å; F206-F294 AromaticContact CD2-CE2 3.4Å; F206-F294 HydrophobicContact CD2-CE2 3.4Å; F206-F294 HydrophobicContact CD2-CG 4.46Å; F206-F294 AromaticContact CD2-CZ 3.25Å; F206-F294 HydrophobicContact CD2-CZ 3.25Å; F206-F294 AromaticContact CE2-CE2 3.71Å; F206-F294 HydrophobicContact CE2-CE2 3.71Å; F206-F294 AromaticContact CE2-CZ 3.66Å; F206-F294 HydrophobicContact CE2-CZ 3.66Å; F206-F294 HydrophobicContact CG-CE1 4.02Å; F206-F294 HydrophobicContact CG-CE2 4.43Å; F206-F294 AromaticContact CG-CZ 3.92Å; F206-F294 HydrophobicContact CG-CZ 3.92Å; F206-F294 PolarHBondContact N-O 2.74Å; F206-F294 PolarHBondContact O-N 3.34Å; V232-F294 HydrophobicContact CG1-CB 4.18Å; V232-F294 HydrophobicContact CG1-CD2 3.59Å; V232-F294 HydrophobicContact CG1-CE2 4.34Å; V232-F294 HydrophobicContact CG1-CG 4.2Å; V233-F294 CarbonylContact O-C 3.59Å; V233-F294 VanDerWaalsContact O-CA 3.27Å; V233-F294 WeakPolarHBondContact O-CA 3.48Å; S234-F294 WeakPolarHBondContact OG-CB 3.31Å; I289-F294 HydrophobicContact CD1-CB 4.11Å; I289-F294 HydrophobicContact CD1-CD1 3.99Å; I289-F294 HydrophobicContact CD1-CG 4Å; G291-F294 WeakPolarHBondContact O-CE1 3.19Å; F294-I296 HydrophobicContact CD2-CB 4.33Å; F294-I296 HydrophobicContact CD2-CG2 4.24Å; F294-I296 HydrophobicContact CE2-CB 4.32Å; F294-I296 HydrophobicContact CE2-CG2 3.85Å; F294-Y307 VanDerWaalsContact CE1-OH 3.32Å; F294-Y307 WeakPolarHBondContact CE1-OH 3.5Å; F294-Y307 HydrophobicContact CZ-CE2 4.35Å; F294-Y307 VanDerWaalsContact CZ-OH 3.3Å; F294-Y307 WeakPolarHBondContact CZ-OH 3.22Å; F294-I321 HydrophobicContact CE2-CD1 4.27Å; F294-I321 HydrophobicContact CZ-CD1 4.19Å
295V98.9Very high97.6Very high1 Ų128 Ų281%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-123136.4177.6-173.50000109V203 L204 T205 L221 L222 I225 V233V203-V295 HydrophobicContact CG1-CG1 3.26Å; L204-V295 VanDerWaalsContact O-CA 3.29Å; L204-V295 WeakPolarHBondContact O-CA 3.39Å; L204-V295 WeakPolarHBondContact O-CG1 3.46Å; T205-V295 HydrophobicContact CG2-CG2 3.9Å; L221-V295 HydrophobicContact CB-CB 4.35Å; L221-V295 HydrophobicContact CB-CG2 3.93Å; L221-V295 HydrophobicContact CD1-CG2 3.75Å; L221-V295 HydrophobicContact CG-CG2 4.33Å; L222-V295 HydrophobicContact CD2-CG1 4.25Å; I225-V295 HydrophobicContact CG1-CG1 4.04Å; V233-V295 HydrophobicContact CG2-CB 3.89Å; V233-V295 PolarHBondContact N-O 3.39Å; V233-V295 PolarHBondContact O-N 2.98Å
296I98.9Very high97.7Very high0 Ų024.1 Ų24.10%013%0.132CC..EExtended strand (participates in β ladder)trans-147.1145.8-178-171.9169.3000110.5L204 F206 V232 F294 R298 F301L204-I296 HydrophobicContact CB-CG2 4.07Å; L204-I296 HydrophobicContact CD1-CG2 4.45Å; L204-I296 PolarHBondContact N-O 3.32Å; L204-I296 PolarHBondContact O-N 3.42Å; F206-I296 HydrophobicContact CE2-CG2 4.06Å; V232-I296 HydrophobicContact CG1-CB 4.4Å; V232-I296 HydrophobicContact CG2-CB 4.37Å; V232-I296 HydrophobicContact CG2-CD1 3.55Å; V232-I296 HydrophobicContact CG2-CG1 3.86Å; F294-I296 HydrophobicContact CD2-CB 4.33Å; F294-I296 HydrophobicContact CD2-CG2 4.24Å; F294-I296 HydrophobicContact CE2-CB 4.32Å; F294-I296 HydrophobicContact CE2-CG2 3.85Å; I296-R298 PolarHBondContact O-N 2.79Å; I296-F301 HydrophobicContact CD1-CB 3.98Å; I296-F301 HydrophobicContact CD1-CD2 4.16Å; I296-F301 HydrophobicContact CG1-CB 4.33Å; I296-F301 HydrophobicContact CG2-CB 4.12Å; I296-F301 HydrophobicContact CG2-CD2 4.3Å; I296-F301 HydrophobicContact CG2-CG 4.46Å
297N98.9Very high97.7Very high4 Ų424.2 Ų24.22%0.02113%0.132CC..EExtended strand (participates in β ladder)trans-63.6132.2169.7-176.3-77.5000110.3E202 I225 P229 S299 W300 F301E202-N297 PolarHBondContact OE1-ND2 3.48Å; I225-N297 HydrophobicContact CG2-CB 3.97Å; P229-N297 HydrophobicContact CB-CB 3.95Å; P229-N297 WeakPolarHBondContact O-CB 3.49Å; N297-S299 VanDerWaalsContact C-N 3.34Å; N297-S299 PolarHBondContact O-N 3.42Å; N297-S299 WeakPolarHBondContact OD1-CA 3.26Å; N297-S299 WeakPolarHBondContact OD1-CB 3.46Å; N297-S299 PolarHBondContact OD1-N 3.04Å; N297-S299 PolarHBondContact OD1-OG 2.87Å; N297-W300 HydrophobicContact CB-CB 3.99Å; N297-W300 WeakPolarHBondContact O-CB 3.25Å; N297-W300 PolarHBondContact O-N 3.21Å; N297-W300 PolarHBondContact OD1-N 3.38Å; N297-F301 PolarHBondContact O-N 2.89Å
298R98.8Very high97.7Very high84 Ų8424.6 Ų24.632%0.31713%0.134SC..Hα-helixtrans-61.7-41.1-176.9-174.4-179.466.6164-4112.1A199 A201 E202 L204 I296 W300 F301 N302A199-R298 PolarHBondContact O-NH1 3.05Å; A201-R298 WeakPolarHBondContact O-CD 3.34Å; A201-R298 PolarHBondContact O-NE 3.1Å; A201-R298 VanDerWaalsContact O-NE 3.13Å; E202-R298 WeakPolarHBondContact O-CB 3.29Å; E202-R298 PolarHBondContact O-N 3.02Å; L204-R298 HydrophobicContact CD1-CB 4.25Å; L204-R298 HydrophobicContact CD1-CG 4.12Å; L204-R298 HydrophobicContact CD2-CB 4.08Å; L204-R298 HydrophobicContact CD2-CG 3.98Å; L204-R298 HydrophobicContact CG-CB 3.85Å; L204-R298 HydrophobicContact CG-CG 4.08Å; I296-R298 PolarHBondContact O-N 2.79Å; R298-W300 VanDerWaalsContact C-N 3.3Å; R298-W300 PolarHBondContact O-N 3.21Å; R298-F301 PolarHBondContact O-N 3.43Å; R298-N302 PolarHBondContact O-N 3.24Å; R298-N302 PolarHBondContact O-ND2 3.03Å
299S98.7Very high97.7Very high80 Ų8028.1 Ų28.156%0.55916%0.156SC*.Hα-helixtrans-65-38.3178.3780000111.1N297 N302 H303N297-S299 VanDerWaalsContact C-N 3.34Å; N297-S299 PolarHBondContact O-N 3.42Å; N297-S299 WeakPolarHBondContact OD1-CA 3.26Å; N297-S299 WeakPolarHBondContact OD1-CB 3.46Å; N297-S299 PolarHBondContact OD1-N 3.04Å; N297-S299 PolarHBondContact OD1-OG 2.87Å; S299-N302 PolarHBondContact O-N 3.48Å; S299-H303 VanDerWaalsContact O-CB 3.29Å; S299-H303 WeakPolarHBondContact O-CB 3.47Å; S299-H303 PolarHBondContact O-N 3.46Å
300W98.8Very high97.6Very high31 Ų3129.8 Ų29.812%0.11717%0.17CC..Hα-helixtrans-68-43.2175.1-174.1-128.1000112.5P229 T230 N297 R298 N302 H303 L304P229-W300 WeakPolarHBondContact O-CB 3.2Å; T230-W300 HydrophobicContact CG2-CD2 4.47Å; T230-W300 HydrophobicContact CG2-CE3 4.46Å; T230-W300 HydrophobicContact CG2-CH2 4.42Å; T230-W300 HydrophobicContact CG2-CZ2 4.39Å; T230-W300 HydrophobicContact CG2-CZ3 4.43Å; T230-W300 PolarHBondContact O-NE1 2.78Å; N297-W300 HydrophobicContact CB-CB 3.99Å; N297-W300 WeakPolarHBondContact O-CB 3.25Å; N297-W300 PolarHBondContact O-N 3.21Å; N297-W300 PolarHBondContact OD1-N 3.38Å; R298-W300 VanDerWaalsContact C-N 3.3Å; R298-W300 PolarHBondContact O-N 3.21Å; W300-N302 VanDerWaalsContact C-N 3.28Å; W300-N302 PolarHBondContact O-N 2.87Å; W300-H303 HydrophobicContact CE3-CB 4.16Å; W300-H303 AromaticContact CE3-CD2 3.62Å; W300-H303 AromaticContact CH2-CD2 3.99Å; W300-H303 AromaticContact CZ3-CD2 3.17Å; W300-H303 WeakPolarHBondContact CZ3-CD2 3.46Å; W300-H303 AromaticContact CZ3-NE2 3.76Å; W300-H303 PolarHBondContact O-N 2.95Å; W300-L304 HydrophobicContact CD2-CD1 4.11Å; W300-L304 HydrophobicContact CD2-CG 3.96Å; W300-L304 VanDerWaalsContact CE2-CD1 3.46Å; W300-L304 HydrophobicContact CE3-CG 4.37Å; W300-L304 HydrophobicContact CG-CD1 4.37Å; W300-L304 HydrophobicContact CH2-CD2 3.77Å; W300-L304 HydrophobicContact CH2-CG 4.19Å; W300-L304 HydrophobicContact CZ2-CD1 3.78Å; W300-L304 HydrophobicContact CZ2-CD2 3.61Å; W300-L304 HydrophobicContact CZ2-CG 3.78Å; W300-L304 HydrophobicContact CZ3-CD2 4.36Å; W300-L304 HydrophobicContact CZ3-CG 4.48Å; W300-L304 WeakPolarHBondContact O-CB 3.21Å; W300-L304 WeakPolarHBondContact O-CG 3.11Å; W300-L304 PolarHBondContact O-N 2.79Å
301F98.8Very high97.7Very high1 Ų128.2 Ų28.20%0.00416%0.157CC..Hα-helixtrans-56.4-43.6173.3-177.6-107.3000111.7A196 L204 F206 I296 N297 R298 G305 K306 Y307 I321A196-F301 HydrophobicContact CB-CD1 4.06Å; A196-F301 HydrophobicContact CB-CE1 3.6Å; A196-F301 HydrophobicContact CB-CZ 4.48Å; L204-F301 HydrophobicContact CD1-CB 4.14Å; L204-F301 HydrophobicContact CD1-CD1 3.82Å; L204-F301 HydrophobicContact CD1-CE1 4.47Å; L204-F301 HydrophobicContact CD1-CG 4.05Å; F206-F301 HydrophobicContact CZ-CZ 4.41Å; I296-F301 HydrophobicContact CD1-CB 3.98Å; I296-F301 HydrophobicContact CD1-CD2 4.16Å; I296-F301 HydrophobicContact CG1-CB 4.33Å; I296-F301 HydrophobicContact CG2-CB 4.12Å; I296-F301 HydrophobicContact CG2-CD2 4.3Å; I296-F301 HydrophobicContact CG2-CG 4.46Å; N297-F301 PolarHBondContact O-N 2.89Å; R298-F301 PolarHBondContact O-N 3.43Å; F301-G305 PolarHBondContact O-N 3.22Å; F301-K306 HydrophobicContact CD1-CB 4.16Å; F301-K306 HydrophobicContact CD1-CG 3.93Å; F301-K306 HydrophobicContact CE1-CB 3.53Å; F301-K306 HydrophobicContact CE1-CD 4.26Å; F301-K306 HydrophobicContact CE1-CG 3.66Å; F301-K306 HydrophobicContact CE2-CB 4.5Å; F301-K306 HydrophobicContact CZ-CB 3.74Å; F301-K306 HydrophobicContact CZ-CG 4.38Å; F301-K306 WeakPolarHBondContact O-CA 3.19Å; F301-K306 PolarHBondContact O-N 3.3Å; F301-Y307 HydrophobicContact CE2-CD2 4.01Å; F301-Y307 HydrophobicContact CE2-CE2 4.12Å; F301-Y307 AromaticContact CZ-CD2 3.86Å; F301-Y307 HydrophobicContact CZ-CD2 3.86Å; F301-Y307 HydrophobicContact CZ-CE2 4.28Å; F301-I321 HydrophobicContact CE2-CD1 4.27Å
302N98.6Very high97.8Very high68 Ų6829.7 Ų29.736%0.36417%0.165SC..Hα-helixtrans-68.1-43.7176.2-72.5-24.8000112.5R298 S299 W300 L304 G305 K306R298-N302 PolarHBondContact O-N 3.24Å; R298-N302 PolarHBondContact O-ND2 3.03Å; S299-N302 PolarHBondContact O-N 3.48Å; W300-N302 VanDerWaalsContact C-N 3.28Å; W300-N302 PolarHBondContact O-N 2.87Å; N302-L304 VanDerWaalsContact C-N 3.34Å; N302-L304 PolarHBondContact O-N 3.3Å; N302-G305 WeakPolarHBondContact O-CA 3.41Å; N302-G305 PolarHBondContact O-N 2.9Å; N302-K306 WeakPolarHBondContact OD1-CE 3.12Å
303H98.5Very high97.9Very high106 Ų10629.9 Ų29.949%0.49116%0.163SC..Hα-helixtrans-59.9-44.117817783.2000111.8S299 W300 G305 L404S299-H303 VanDerWaalsContact O-CB 3.29Å; S299-H303 WeakPolarHBondContact O-CB 3.47Å; S299-H303 PolarHBondContact O-N 3.46Å; W300-H303 HydrophobicContact CE3-CB 4.16Å; W300-H303 AromaticContact CE3-CD2 3.62Å; W300-H303 AromaticContact CH2-CD2 3.99Å; W300-H303 AromaticContact CZ3-CD2 3.17Å; W300-H303 WeakPolarHBondContact CZ3-CD2 3.46Å; W300-H303 AromaticContact CZ3-NE2 3.76Å; W300-H303 PolarHBondContact O-N 2.95Å; H303-G305 PolarHBondContact O-N 2.94Å; H303-G305 VanDerWaalsContact O-N 3.12Å; H303-L404 VanDerWaalsContact NE2-CD2 3.29Å; H303-L404 WeakPolarHBondContact NE2-CD2 3.24Å
304L98.5Very high97.7Very high1 Ų133.5 Ų33.51%0.00518%0.177CC..THydrogen-bonded Turntrans-70.91174.5-68.9-178.3000113W300 N302 R324 V325 C328 L400 L404W300-L304 HydrophobicContact CD2-CD1 4.11Å; W300-L304 HydrophobicContact CD2-CG 3.96Å; W300-L304 VanDerWaalsContact CE2-CD1 3.46Å; W300-L304 HydrophobicContact CE3-CG 4.37Å; W300-L304 HydrophobicContact CG-CD1 4.37Å; W300-L304 HydrophobicContact CH2-CD2 3.77Å; W300-L304 HydrophobicContact CH2-CG 4.19Å; W300-L304 HydrophobicContact CZ2-CD1 3.78Å; W300-L304 HydrophobicContact CZ2-CD2 3.61Å; W300-L304 HydrophobicContact CZ2-CG 3.78Å; W300-L304 HydrophobicContact CZ3-CD2 4.36Å; W300-L304 HydrophobicContact CZ3-CG 4.48Å; W300-L304 WeakPolarHBondContact O-CB 3.21Å; W300-L304 WeakPolarHBondContact O-CG 3.11Å; W300-L304 PolarHBondContact O-N 2.79Å; N302-L304 VanDerWaalsContact C-N 3.34Å; N302-L304 PolarHBondContact O-N 3.3Å; L304-R324 VanDerWaalsContact CB-NH1 3.31Å; L304-R324 HydrophobicContact CD2-CG 4.44Å; L304-R324 VanDerWaalsContact O-CD 3.26Å; L304-R324 WeakPolarHBondContact O-CD 3.48Å; L304-R324 PolarHBondContact O-NH1 2.97Å; L304-V325 HydrophobicContact CD1-CB 4.46Å; L304-V325 HydrophobicContact CD1-CG2 3.62Å; L304-C328 HydrophobicContact CD2-CB 3.91Å; L304-L400 WeakPolarHBondContact O-CD2 3.44Å; L304-L404 HydrophobicContact CD2-CD1 4.07Å
305G98.1Very high97.4Very high18 Ų1833.4 Ų33.419%0.18618%0.177CC..THydrogen-bonded Turntrans79.830.6176.300000114.8F301 N302 H303 R397F301-G305 PolarHBondContact O-N 3.22Å; N302-G305 WeakPolarHBondContact O-CA 3.41Å; N302-G305 PolarHBondContact O-N 2.9Å; H303-G305 PolarHBondContact O-N 2.94Å; H303-G305 VanDerWaalsContact O-N 3.12Å; G305-R397 PolarHBondContact O-NH1 3.08Å
306K98.3Very high97.2Very high56 Ų5633.4 Ų33.424%0.24318%0.176CC..SBendtrans56.8-128174-53.8-176.8-170.6168.50112.5V193 D197 F301 N302 R324V193-K306 HydrophobicContact CG1-CD 3.89Å; V193-K306 HydrophobicContact CG2-CB 4.23Å; D197-K306 WeakPolarHBondContact OD1-CE 3.38Å; D197-K306 IonicContact OD1-NZ 3.45Å; D197-K306 PolarHBondContact OD1-NZ 2.86Å; D197-K306 IonicContact OD2-NZ 3.74Å; D197-K306 PolarHBondContact OD2-NZ 3.25Å; F301-K306 HydrophobicContact CD1-CB 4.16Å; F301-K306 HydrophobicContact CD1-CG 3.93Å; F301-K306 HydrophobicContact CE1-CB 3.53Å; F301-K306 HydrophobicContact CE1-CD 4.26Å; F301-K306 HydrophobicContact CE1-CG 3.66Å; F301-K306 HydrophobicContact CE2-CB 4.5Å; F301-K306 HydrophobicContact CZ-CB 3.74Å; F301-K306 HydrophobicContact CZ-CG 4.38Å; F301-K306 WeakPolarHBondContact O-CA 3.19Å; F301-K306 PolarHBondContact O-N 3.3Å; N302-K306 WeakPolarHBondContact OD1-CE 3.12Å; K306-R324 PolarHBondContact O-NH1 3.02Å; K306-R324 PolarHBondContact O-NH2 2.96Å
307Y98.4Very high97.1Very high3 Ų333.7 Ų33.71%0.01218%0.178CC..  trans-109.3161.3164.9-81.6-70000110.5I189 R192 V193 F294 F301 T309 E317 I321I189-Y307 VanDerWaalsContact CG2-CB 3.45Å; I189-Y307 HydrophobicContact CG2-CD1 4.46Å; I189-Y307 HydrophobicContact CG2-CD2 4.49Å; I189-Y307 HydrophobicContact CG2-CG 3.94Å; R192-Y307 HydrophobicContact CB-CD2 4.45Å; R192-Y307 HydrophobicContact CB-CE2 4.33Å; R192-Y307 PolarHBondContact NH1-OH 2.8Å; V193-Y307 HydrophobicContact CG2-CD2 4.31Å; F294-Y307 VanDerWaalsContact CE1-OH 3.32Å; F294-Y307 WeakPolarHBondContact CE1-OH 3.5Å; F294-Y307 HydrophobicContact CZ-CE2 4.35Å; F294-Y307 VanDerWaalsContact CZ-OH 3.3Å; F294-Y307 WeakPolarHBondContact CZ-OH 3.22Å; F301-Y307 HydrophobicContact CE2-CD2 4.01Å; F301-Y307 HydrophobicContact CE2-CE2 4.12Å; F301-Y307 AromaticContact CZ-CD2 3.86Å; F301-Y307 HydrophobicContact CZ-CD2 3.86Å; F301-Y307 HydrophobicContact CZ-CE2 4.28Å; Y307-T309 PolarHBondContact O-N 3.05Å; Y307-T309 VanDerWaalsContact O-N 3.14Å; Y307-E317 HydrophobicContact CD1-CB 4.08Å; Y307-E317 HydrophobicContact CE1-CB 3.89Å; Y307-E317 HydrophobicContact CE1-CG 3.91Å; Y307-I321 HydrophobicContact CD1-CB 4.4Å; Y307-I321 HydrophobicContact CD1-CD1 4.49Å; Y307-I321 HydrophobicContact CE1-CB 3.79Å; Y307-I321 HydrophobicContact CE1-CD1 3.83Å; Y307-I321 HydrophobicContact CE1-CG1 4.37Å; Y307-I321 HydrophobicContact CE1-CG2 3.98Å; Y307-I321 HydrophobicContact CE2-CD1 4.49Å
308D98.3Very high97Very high8 Ų834 Ų344%0.04318%0.179CC..  trans-70100.3166.8-176.75.4000111.3A310 M311 R366 R397D308-A310 PolarHBondContact O-N 2.75Å; D308-A310 VanDerWaalsContact O-N 3.14Å; D308-A310 PolarHBondContact OD1-N 2.77Å; D308-M311 HydrophobicContact CB-CE 4.28Å; D308-M311 HydrophobicContact CB-CG 4.17Å; D308-M311 HydrophobicContact CB-SD 4.4Å; D308-M311 WeakPolarHBondContact O-CB 3.24Å; D308-M311 PolarHBondContact O-N 2.86Å; D308-M311 VanDerWaalsContact O-N 3.08Å; D308-R366 VanDerWaalsContact CG-NH2 3.31Å; D308-R366 IonicContact OD1-CZ 3.11Å; D308-R366 IonicContact OD1-NE 3.58Å; D308-R366 IonicContact OD1-NH2 2.99Å; D308-R366 PolarHBondContact OD1-NH2 3Å; D308-R366 IonicContact OD2-CZ 3.23Å; D308-R366 IonicContact OD2-NE 2.67Å; D308-R366 PolarHBondContact OD2-NE 2.73Å; D308-R366 IonicContact OD2-NH2 2.83Å; D308-R366 PolarHBondContact OD2-NH2 3.08Å; D308-R397 HydrophobicContact CB-CG 4.4Å
309T97.3Very high97Very high74 Ų7430 Ų3045%0.45416%0.164SC..THydrogen-bonded Turntrans-69.7-7.9-176.253.50000114.4R190 V193 Y307 M311R190-T309 WeakPolarHBondContact CD-O 3.42Å; R190-T309 HydrophobicContact CG-CG2 4.42Å; R190-T309 WeakPolarHBondContact CG-O 3.41Å; R190-T309 PolarHBondContact NH1-O 2.84Å; V193-T309 HydrophobicContact CB-CG2 4.41Å; V193-T309 HydrophobicContact CG1-CG2 4.22Å; V193-T309 HydrophobicContact CG2-CG2 4.11Å; Y307-T309 PolarHBondContact O-N 3.05Å; Y307-T309 VanDerWaalsContact O-N 3.14Å; T309-M311 VanDerWaalsContact C-N 3.31Å
310A97.4Very high97Very high40 Ų4026.3 Ų26.333%0.33114%0.138SC..THydrogen-bonded Turntrans-87.10.6172.300000113.2D308 R366D308-A310 PolarHBondContact O-N 2.75Å; D308-A310 VanDerWaalsContact O-N 3.14Å; D308-A310 PolarHBondContact OD1-N 2.77Å; A310-R366 VanDerWaalsContact CB-CZ 3.47Å
311M96.9Very high97Very high0 Ų024.9 Ų24.90%013%0.133CC..SBendtrans-75.2144.8163.1-67.8-174.3173.700111.3I189 R190 D308 T309 E317 E320 N363 R366 T367I189-M311 HydrophobicContact CD1-CB 4.14Å; I189-M311 HydrophobicContact CG1-CB 4.08Å; I189-M311 HydrophobicContact CG2-CB 4.43Å; R190-M311 PolarHBondContact NH1-O 3.45Å; D308-M311 HydrophobicContact CB-CE 4.28Å; D308-M311 HydrophobicContact CB-CG 4.17Å; D308-M311 HydrophobicContact CB-SD 4.4Å; D308-M311 WeakPolarHBondContact O-CB 3.24Å; D308-M311 PolarHBondContact O-N 2.86Å; D308-M311 VanDerWaalsContact O-N 3.08Å; T309-M311 VanDerWaalsContact C-N 3.31Å; M311-E317 HydrophobicContact SD-CB 3.96Å; M311-E320 HydrophobicContact CE-CB 3.72Å; M311-E320 HydrophobicContact CE-CG 3.74Å; M311-N363 VanDerWaalsContact CA-OD1 3.27Å; M311-N363 WeakPolarHBondContact CA-OD1 3.37Å; M311-N363 HydrophobicContact CB-CB 4.39Å; M311-N363 HydrophobicContact CG-CB 4.12Å; M311-N363 HydrophobicContact SD-CB 4.27Å; M311-R366 HydrophobicContact CE-CB 4.23Å; M311-T367 WeakPolarHBondContact CE-OG1 3.47Å
312D93.9Very high97Very high33 Ų3324.8 Ų24.818%0.17613%0.133CC..  trans-111.5142.4-174.9-69.4-38.2000113.4R190 W314 T359 K362 N363R190-D312 IonicContact CZ-OD1 3.75Å; R190-D312 IonicContact NH1-OD1 3.17Å; R190-D312 PolarHBondContact NH1-OD1 3.39Å; R190-D312 IonicContact NH2-OD1 3.72Å; R190-D312 PolarHBondContact NH2-OD1 3.2Å; D312-W314 VanDerWaalsContact C-N 3.3Å; D312-W314 PolarHBondContact O-N 3.38Å; D312-T359 HydrophobicContact CB-CG2 4.05Å; D312-T359 WeakPolarHBondContact O-CG2 3.47Å; D312-K362 WeakPolarHBondContact OD2-CE 3.49Å; D312-K362 IonicContact OD2-NZ 2.73Å; D312-K362 PolarHBondContact OD2-NZ 3.18Å; D312-N363 PolarHBondContact N-OD1 3.27Å; D312-N363 PolarHBondContact O-ND2 2.8Å
313I92.7Very high97Very high13 Ų1321.6 Ų21.67%0.06712%0.115CC..BIsolated β-bridgetrans53.6-77.3171.1-50.4-56.9000114.7R185 L188 Y350 F352 T359R185-I313 HydrophobicContact CG-CD1 3.98Å; L188-I313 VanDerWaalsContact CB-O 3.25Å; L188-I313 WeakPolarHBondContact CB-O 3.22Å; L188-I313 PolarHBondContact N-O 2.85Å; I313-Y350 HydrophobicContact CG2-CD2 4.39Å; I313-Y350 HydrophobicContact CG2-CE2 4.17Å; I313-F352 HydrophobicContact CB-CD1 4.21Å; I313-F352 HydrophobicContact CB-CE1 4.34Å; I313-F352 HydrophobicContact CG2-CD1 3.91Å; I313-F352 HydrophobicContact CG2-CE1 3.83Å; I313-T359 HydrophobicContact CB-CG2 4.15Å
314W94.1Very high97Very high80 Ų8016.6 Ų16.630%0.3039%0.092SC..SBendtrans-160.3148.5-172.1179.786.9000111.9D312 H348 F352 Y360 N363D312-W314 VanDerWaalsContact C-N 3.3Å; D312-W314 PolarHBondContact O-N 3.38Å; W314-H348 AromaticContact CD2-CE1 3.75Å; W314-H348 AromaticContact CE2-CE1 3.86Å; W314-H348 AromaticContact CE3-CE1 3.59Å; W314-H348 AromaticContact CE3-NE2 3.93Å; W314-H348 AromaticContact CH2-CE1 3.69Å; W314-H348 AromaticContact CH2-NE2 3.95Å; W314-H348 AromaticContact CZ2-CE1 3.85Å; W314-H348 AromaticContact CZ3-CE1 3.56Å; W314-H348 AromaticContact CZ3-NE2 3.62Å; W314-F352 HydrophobicContact CB-CE1 4.29Å; W314-Y360 HydrophobicContact CE3-CD2 4.42Å; W314-Y360 HydrophobicContact CH2-CE2 4.41Å; W314-Y360 AromaticContact CZ3-CD2 3.88Å; W314-Y360 HydrophobicContact CZ3-CD2 3.88Å; W314-Y360 HydrophobicContact CZ3-CE2 4.02Å; W314-N363 PolarHBondContact O-ND2 3.36Å
315G92.5Very high97Very high1 Ų116.5 Ų16.51%0.019%0.092CC..SBendtrans95.1145.6168.900000112.5E317 N363G315-E317 VanDerWaalsContact C-N 3.26Å; G315-E317 WeakPolarHBondContact CA-OE2 3.37Å; G315-E317 PolarHBondContact N-OE2 2.86Å; G315-E317 PolarHBondContact O-N 2.81Å; G315-N363 WeakPolarHBondContact O-CB 3.38Å; G315-N363 PolarHBondContact O-ND2 3.44Å
316G94.3Very high97.1Very high0 Ų016.6 Ų16.60%09%0.086CC..SBendtrans89.5-27.2-179.900000114.2N318 F319 E320 T367G316-N318 VanDerWaalsContact C-N 3.33Å; G316-N318 PolarHBondContact O-N 3.2Å; G316-F319 WeakPolarHBondContact O-CB 3.48Å; G316-F319 PolarHBondContact O-N 2.93Å; G316-E320 PolarHBondContact O-N 3.14Å; G316-E320 VanDerWaalsContact O-N 3.12Å; G316-T367 PolarHBondContact O-OG1 2.65Å
317E97.3Very high97.1Very high6 Ų614 Ų143%0.0288%0.075CC..Hα-helixtrans-69.7-31.4-174.483.2-67.716900112.6I189 Y307 M311 G315 F319 E320 I321I189-E317 HydrophobicContact CG1-CB 3.7Å; I189-E317 HydrophobicContact CG1-CG 4.02Å; Y307-E317 HydrophobicContact CD1-CB 4.08Å; Y307-E317 HydrophobicContact CE1-CB 3.89Å; Y307-E317 HydrophobicContact CE1-CG 3.91Å; M311-E317 HydrophobicContact SD-CB 3.96Å; G315-E317 VanDerWaalsContact C-N 3.26Å; G315-E317 WeakPolarHBondContact CA-OE2 3.37Å; G315-E317 PolarHBondContact N-OE2 2.86Å; G315-E317 PolarHBondContact O-N 2.81Å; E317-F319 VanDerWaalsContact C-N 3.34Å; E317-E320 PolarHBondContact O-N 3.08Å; E317-I321 VanDerWaalsContact O-CG2 3.31Å; E317-I321 WeakPolarHBondContact O-CG2 3.39Å; E317-I321 PolarHBondContact O-N 3.25Å
318N97.6Very high97.1Very high11 Ų1114.6 Ų14.66%0.0598%0.08CC..Hα-helixtrans-65.1-38.6175.767.8-55.2000111.2I289 G316 S322I289-N318 PolarHBondContact O-ND2 2.92Å; G316-N318 VanDerWaalsContact C-N 3.33Å; G316-N318 PolarHBondContact O-N 3.2Å; N318-S322 VanDerWaalsContact O-CB 3.22Å; N318-S322 WeakPolarHBondContact O-CB 3.01Å; N318-S322 PolarHBondContact O-N 3.25Å; N318-S322 PolarHBondContact O-OG 2.73Å
319F98.6Very high97.1Very high0 Ų017.1 Ų17.10%011%0.107CC..Hα-helixtrans-65.2-49.4172.4-60.2-79.9000112.1F258 L262 F264 I288 G316 E317 I321 S322 F323 T367F258-F319 HydrophobicContact CB-CD1 4.48Å; F258-F319 HydrophobicContact CB-CE1 3.59Å; F258-F319 HydrophobicContact CB-CZ 4.41Å; F258-F319 HydrophobicContact CD2-CE1 4.4Å; F258-F319 HydrophobicContact CG-CD1 4.41Å; F258-F319 AromaticContact CG-CE1 3.96Å; F258-F319 HydrophobicContact CG-CE1 3.96Å; L262-F319 VanDerWaalsContact C-CZ 3.45Å; L262-F319 HydrophobicContact CB-CE1 4.42Å; L262-F319 HydrophobicContact CB-CE2 4.4Å; L262-F319 HydrophobicContact CB-CZ 4.36Å; L262-F319 HydrophobicContact CD2-CD1 3.98Å; L262-F319 HydrophobicContact CD2-CE1 4.38Å; L262-F319 HydrophobicContact CD2-CG 4.38Å; L262-F319 WeakPolarHBondContact O-CE2 3.17Å; L262-F319 WeakPolarHBondContact O-CZ 3.48Å; F264-F319 HydrophobicContact CB-CZ 4.01Å; I288-F319 HydrophobicContact CD1-CB 4.34Å; I288-F319 HydrophobicContact CD1-CD1 3.68Å; I288-F319 HydrophobicContact CD1-CE1 4.32Å; I288-F319 HydrophobicContact CD1-CG 4.25Å; I288-F319 HydrophobicContact CG1-CD1 4.18Å; I288-F319 HydrophobicContact CG1-CE1 4.34Å; G316-F319 WeakPolarHBondContact O-CB 3.48Å; G316-F319 PolarHBondContact O-N 2.93Å; E317-F319 VanDerWaalsContact C-N 3.34Å; F319-I321 PolarHBondContact O-N 2.7Å; F319-S322 PolarHBondContact O-N 3.27Å; F319-F323 HydrophobicContact CB-CE2 4.24Å; F319-F323 HydrophobicContact CB-CZ 4.43Å; F319-F323 HydrophobicContact CD1-CZ 4.31Å; F319-F323 WeakPolarHBondContact O-CB 3.48Å; F319-F323 VanDerWaalsContact O-CG 3.24Å; F319-F323 WeakPolarHBondContact O-CG 3.31Å; F319-F323 PolarHBondContact O-N 2.82Å; F319-T367 HydrophobicContact CB-CG2 3.81Å
320E98.6Very high97.2Very high2 Ų214 Ų141%0.0099%0.09CC..Hα-helixtrans-57.8-52.4-178.1-166.7-78.7145.400111.9M311 G316 E317 S322 R324 T367 W371M311-E320 HydrophobicContact CE-CB 3.72Å; M311-E320 HydrophobicContact CE-CG 3.74Å; G316-E320 PolarHBondContact O-N 3.14Å; G316-E320 VanDerWaalsContact O-N 3.12Å; E317-E320 PolarHBondContact O-N 3.08Å; E320-S322 VanDerWaalsContact C-N 3.33Å; E320-S322 PolarHBondContact O-N 3.39Å; E320-R324 WeakPolarHBondContact O-CB 3.45Å; E320-R324 PolarHBondContact O-N 3.23Å; E320-R324 IonicContact OE1-CZ 3.82Å; E320-R324 IonicContact OE1-NE 2.64Å; E320-R324 PolarHBondContact OE1-NE 3.32Å; E320-R324 IonicContact OE1-NH2 2.98Å; E320-R324 IonicContact OE2-CZ 2.87Å; E320-R324 IonicContact OE2-NE 2.95Å; E320-R324 IonicContact OE2-NH2 3.47Å; E320-R324 PolarHBondContact OE2-NH2 2.02Å; E320-T367 HydrophobicContact CB-CG2 4.17Å; E320-W371 PolarHBondContact OE1-NE1 3.22Å; E320-W371 VanDerWaalsContact OE1-NE1 3.12Å
321I98.7Very high97.2Very high1 Ų112.8 Ų12.81%0.0058%0.079CC..Hα-helixtrans-66.7-36.6-179.2-164.9166.7000111.7I289 F294 F301 Y307 E317 F319 R324 V325I289-I321 HydrophobicContact CD1-CG2 4.34Å; F294-I321 HydrophobicContact CE2-CD1 4.27Å; F294-I321 HydrophobicContact CZ-CD1 4.19Å; F301-I321 HydrophobicContact CE2-CD1 4.27Å; Y307-I321 HydrophobicContact CD1-CB 4.4Å; Y307-I321 HydrophobicContact CD1-CD1 4.49Å; Y307-I321 HydrophobicContact CE1-CB 3.79Å; Y307-I321 HydrophobicContact CE1-CD1 3.83Å; Y307-I321 HydrophobicContact CE1-CG1 4.37Å; Y307-I321 HydrophobicContact CE1-CG2 3.98Å; Y307-I321 HydrophobicContact CE2-CD1 4.49Å; E317-I321 VanDerWaalsContact O-CG2 3.31Å; E317-I321 WeakPolarHBondContact O-CG2 3.39Å; E317-I321 PolarHBondContact O-N 3.25Å; F319-I321 PolarHBondContact O-N 2.7Å; I321-R324 PolarHBondContact O-N 2.98Å; I321-V325 HydrophobicContact CG1-CG2 4.12Å; I321-V325 WeakPolarHBondContact O-CB 3.42Å; I321-V325 WeakPolarHBondContact O-CG2 3.46Å; I321-V325 PolarHBondContact O-N 3.26Å
322S98.8Very high97.3Very high0 Ų012.8 Ų12.80%08%0.079CC..Hα-helixtrans-68-46.7-179.2-63.10000112I288 I289 N318 F319 E320 R324 V325 W326 L332I288-S322 WeakPolarHBondContact CD1-OG 3.35Å; I289-S322 WeakPolarHBondContact CG1-OG 3.48Å; I289-S322 PolarHBondContact N-OG 3.48Å; N318-S322 VanDerWaalsContact O-CB 3.22Å; N318-S322 WeakPolarHBondContact O-CB 3.01Å; N318-S322 PolarHBondContact O-N 3.25Å; N318-S322 PolarHBondContact O-OG 2.73Å; F319-S322 PolarHBondContact O-N 3.27Å; E320-S322 VanDerWaalsContact C-N 3.33Å; E320-S322 PolarHBondContact O-N 3.39Å; S322-R324 VanDerWaalsContact C-N 3.33Å; S322-V325 PolarHBondContact O-N 3.23Å; S322-W326 PolarHBondContact O-N 3.39Å; S322-W326 VanDerWaalsContact O-N 3.14Å; S322-L332 VanDerWaalsContact CB-CD1 3.43Å; S322-L332 WeakPolarHBondContact OG-CD1 3.42Å
323F98.8Very high97.5Very high0 Ų011.6 Ų11.60%07%0.073CC..Hα-helixtrans-61.5-45.1176.1-67.6-12.6000110.9F258 L262 I288 F319 Q327 T367 W371 M372 F409 Y412F258-F323 AromaticContact CE1-CE1 3.65Å; F258-F323 HydrophobicContact CE1-CE1 3.65Å; F258-F323 AromaticContact CE1-CZ 3.99Å; F258-F323 HydrophobicContact CE1-CZ 3.99Å; F258-F323 HydrophobicContact CE2-CE1 4.4Å; F258-F323 AromaticContact CE2-CZ 3.92Å; F258-F323 HydrophobicContact CE2-CZ 3.92Å; F258-F323 AromaticContact CZ-CE1 3.6Å; F258-F323 HydrophobicContact CZ-CE1 3.6Å; F258-F323 AromaticContact CZ-CZ 3.55Å; F258-F323 HydrophobicContact CZ-CZ 3.55Å; L262-F323 HydrophobicContact CD2-CE2 4.09Å; L262-F323 HydrophobicContact CD2-CZ 3.97Å; I288-F323 HydrophobicContact CD1-CE1 4.34Å; F319-F323 HydrophobicContact CB-CE2 4.24Å; F319-F323 HydrophobicContact CB-CZ 4.43Å; F319-F323 HydrophobicContact CD1-CZ 4.31Å; F319-F323 WeakPolarHBondContact O-CB 3.48Å; F319-F323 VanDerWaalsContact O-CG 3.24Å; F319-F323 WeakPolarHBondContact O-CG 3.31Å; F319-F323 PolarHBondContact O-N 2.82Å; F323-Q327 VanDerWaalsContact O-CB 3.22Å; F323-Q327 WeakPolarHBondContact O-CB 3.29Å; F323-Q327 VanDerWaalsContact O-CG 3.25Å; F323-Q327 WeakPolarHBondContact O-CG 3.34Å; F323-Q327 PolarHBondContact O-N 3.33Å; F323-T367 HydrophobicContact CD2-CG2 3.66Å; F323-T367 HydrophobicContact CE2-CG2 3.82Å; F323-W371 HydrophobicContact CB-CB 3.97Å; F323-W371 HydrophobicContact CB-CG 4.18Å; F323-W371 HydrophobicContact CD2-CB 3.92Å; F323-W371 HydrophobicContact CG-CB 4.42Å; F323-M372 HydrophobicContact CD2-CG 4.45Å; F323-M372 HydrophobicContact CE2-CG 4Å; F323-M372 HydrophobicContact CE2-SD 4.21Å; F323-F409 HydrophobicContact CD1-CE2 4.16Å; F323-F409 HydrophobicContact CD2-CE2 4.13Å; F323-F409 AromaticContact CE1-CE2 4Å; F323-F409 HydrophobicContact CE1-CE2 4Å; F323-F409 HydrophobicContact CE1-CZ 4.48Å; F323-F409 AromaticContact CE2-CE2 3.96Å; F323-F409 HydrophobicContact CE2-CE2 3.96Å; F323-F409 HydrophobicContact CE2-CZ 4.46Å; F323-F409 HydrophobicContact CG-CE2 4.23Å; F323-F409 AromaticContact CZ-CE2 3.9Å; F323-F409 HydrophobicContact CZ-CE2 3.9Å; F323-F409 HydrophobicContact CZ-CZ 4.18Å; F323-Y412 HydrophobicContact CD1-CE1 4.24Å; F323-Y412 HydrophobicContact CD1-CE2 4.07Å; F323-Y412 AromaticContact CD1-CZ 3.86Å; F323-Y412 HydrophobicContact CE1-CE1 4.05Å; F323-Y412 AromaticContact CE1-CZ 3.9Å
324R98.7Very high97.8Very high1 Ų111.3 Ų11.30%0.0047%0.071CC..Hα-helixtrans-60.8-50177.4175.6159.44389.610.4112.4L304 K306 E320 I321 S322 W326 Q327 C328 W371L304-R324 VanDerWaalsContact CB-NH1 3.31Å; L304-R324 HydrophobicContact CD2-CG 4.44Å; L304-R324 VanDerWaalsContact O-CD 3.26Å; L304-R324 WeakPolarHBondContact O-CD 3.48Å; L304-R324 PolarHBondContact O-NH1 2.97Å; K306-R324 PolarHBondContact O-NH1 3.02Å; K306-R324 PolarHBondContact O-NH2 2.96Å; E320-R324 WeakPolarHBondContact O-CB 3.45Å; E320-R324 PolarHBondContact O-N 3.23Å; E320-R324 IonicContact OE1-CZ 3.82Å; E320-R324 IonicContact OE1-NE 2.64Å; E320-R324 PolarHBondContact OE1-NE 3.32Å; E320-R324 IonicContact OE1-NH2 2.98Å; E320-R324 IonicContact OE2-CZ 2.87Å; E320-R324 IonicContact OE2-NE 2.95Å; E320-R324 IonicContact OE2-NH2 3.47Å; E320-R324 PolarHBondContact OE2-NH2 2.02Å; I321-R324 PolarHBondContact O-N 2.98Å; S322-R324 VanDerWaalsContact C-N 3.33Å; R324-W326 PolarHBondContact O-N 3.35Å; R324-Q327 PolarHBondContact O-N 3.21Å; R324-C328 WeakPolarHBondContact O-CB 3.47Å; R324-C328 PolarHBondContact O-N 3.19Å; R324-C328 PolarHBondContact O-SG 3.23Å; R324-W371 HydrophobicContact CB-CD2 4.36Å; R324-W371 HydrophobicContact CB-CE3 4.34Å; R324-W371 HydrophobicContact CB-CH2 3.56Å; R324-W371 HydrophobicContact CB-CZ2 3.56Å; R324-W371 HydrophobicContact CB-CZ3 3.96Å; R324-W371 VanDerWaalsContact CD-CZ2 3.44Å; R324-W371 HydrophobicContact CG-CH2 3.44Å; R324-W371 VanDerWaalsContact CG-CH2 3.44Å; R324-W371 HydrophobicContact CG-CZ2 3.68Å; R324-W371 HydrophobicContact CG-CZ3 4.16Å
325V98.8Very high98Very high0 Ų07.9 Ų7.90%06%0.059CC..Hα-helixtrans-57.9-50.6-179.4168.80000110.6V232 L304 I321 S322 G329 G330 L332V232-V325 HydrophobicContact CG2-CG1 3.95Å; V232-V325 HydrophobicContact CG2-CG2 3.79Å; L304-V325 HydrophobicContact CD1-CB 4.46Å; L304-V325 HydrophobicContact CD1-CG2 3.62Å; I321-V325 HydrophobicContact CG1-CG2 4.12Å; I321-V325 WeakPolarHBondContact O-CB 3.42Å; I321-V325 WeakPolarHBondContact O-CG2 3.46Å; I321-V325 PolarHBondContact O-N 3.26Å; S322-V325 PolarHBondContact O-N 3.23Å; V325-G329 PolarHBondContact O-N 2.63Å; V325-G330 WeakPolarHBondContact O-CA 3.35Å; V325-G330 PolarHBondContact O-N 3.29Å; V325-L332 HydrophobicContact CB-CD2 3.92Å; V325-L332 HydrophobicContact CG1-CD2 3.68Å; V325-L332 HydrophobicContact CG1-CG 4.32Å; V325-L332 HydrophobicContact CG2-CD2 4.26Å
326W98.8Very high98.2Very high19 Ų198 Ų87%0.0726%0.059CC..Hα-helixtrans-64.8-50.1-179.6-82.4118.3000112.9K285 T286 P287 S322 R324 C328 G329 L332 W411 Y412 V416K285-W326 HydrophobicContact CB-CH2 4.37Å; K285-W326 HydrophobicContact CB-CZ2 4.49Å; K285-W326 HydrophobicContact CD-CH2 4.07Å; K285-W326 HydrophobicContact CG-CH2 4.27Å; T286-W326 WeakPolarHBondContact O-CZ2 3.3Å; T286-W326 PolarHBondContact O-NE1 3.32Å; P287-W326 PolarHBondContact O-NE1 2.95Å; S322-W326 PolarHBondContact O-N 3.39Å; S322-W326 VanDerWaalsContact O-N 3.14Å; R324-W326 PolarHBondContact O-N 3.35Å; W326-C328 VanDerWaalsContact C-N 3.26Å; W326-C328 PolarHBondContact O-N 3.26Å; W326-G329 PolarHBondContact O-N 2.94Å; W326-L332 HydrophobicContact CZ2-CB 4.19Å; W326-L332 VanDerWaalsContact CZ2-N 3.32Å; W326-W411 WeakPolarHBondContact O-CZ3 3.32Å; W326-Y412 HydrophobicContact CB-CD2 3.77Å; W326-Y412 HydrophobicContact CB-CE2 3.94Å; W326-Y412 AromaticContact CD1-CE2 3.76Å; W326-Y412 HydrophobicContact CG-CD2 4.26Å; W326-Y412 HydrophobicContact CG-CE2 4Å; W326-V416 HydrophobicContact CB-CG2 4.2Å; W326-V416 HydrophobicContact CD2-CB 4.35Å; W326-V416 HydrophobicContact CD2-CG1 3.6Å; W326-V416 HydrophobicContact CD2-CG2 3.76Å; W326-V416 HydrophobicContact CE3-CG1 4.21Å; W326-V416 HydrophobicContact CE3-CG2 3.66Å; W326-V416 HydrophobicContact CG-CG1 3.78Å; W326-V416 HydrophobicContact CG-CG2 4.03Å; W326-V416 HydrophobicContact CZ2-CG1 4.05Å; W326-V416 HydrophobicContact CZ3-CG2 4.28Å
327Q98.9Very high98.4Very high1 Ų18.1 Ų8.11%0.0056%0.06CC..Hα-helixtrans-67.9-27.7-176.9-69.117753.800112F323 R324 W371 C406 K407F323-Q327 VanDerWaalsContact O-CB 3.22Å; F323-Q327 WeakPolarHBondContact O-CB 3.29Å; F323-Q327 VanDerWaalsContact O-CG 3.25Å; F323-Q327 WeakPolarHBondContact O-CG 3.34Å; F323-Q327 PolarHBondContact O-N 3.33Å; R324-Q327 PolarHBondContact O-N 3.21Å; Q327-W371 PolarHBondContact NE2-O 2.91Å; Q327-W371 VanDerWaalsContact NE2-O 3.07Å; Q327-W371 PolarHBondContact OE1-O 3.25Å; Q327-C406 HydrophobicContact CB-CB 4.11Å; Q327-C406 CarbonylContact O-C 3.5Å; Q327-C406 VanDerWaalsContact O-CA 3.25Å; Q327-C406 WeakPolarHBondContact O-CA 3.44Å; Q327-C406 WeakPolarHBondContact O-CB 3.47Å; Q327-K407 PolarHBondContact O-N 3.17Å; Q327-K407 PolarHBondContact OE1-O 2.92Å
328C98.7Very high98.5Very high17 Ų177.8 Ų7.812%0.1156%0.059CC..THydrogen-bonded Turntrans-100.719.4-176.9-48.50000113.6L304 R324 W326 W371 L404 C406L304-C328 HydrophobicContact CD2-CB 3.91Å; R324-C328 WeakPolarHBondContact O-CB 3.47Å; R324-C328 PolarHBondContact O-N 3.19Å; R324-C328 PolarHBondContact O-SG 3.23Å; W326-C328 VanDerWaalsContact C-N 3.26Å; W326-C328 PolarHBondContact O-N 3.26Å; C328-W371 VanDerWaalsContact SG-CZ3 3.59Å; C328-L404 HydrophobicContact CB-CB 4.37Å; C328-L404 HydrophobicContact CB-CD1 4.32Å; C328-C406 HydrophobicContact CB-CB 4.05Å; C328-C406 WeakPolarHBondContact CB-SG 3.46Å; C328-C406 WeakPolarHBondContact SG-CB 3.13Å; C328-C406 CovalentContact SG-SG 2.04Å; C328-C406 PolarHBondContact SG-SG 2.79Å
329G98Very high98.5Very high60 Ų607.9 Ų7.962%0.6196%0.058SC*.THydrogen-bonded Turntrans98.95.6164.300000116.9V325 W326V325-G329 PolarHBondContact O-N 2.63Å; W326-G329 PolarHBondContact O-N 2.94Å
330G98.5Very high98.5Very high9 Ų97.9 Ų7.99%0.0936%0.058CC..  trans-95.6-168.5170.100000112.9T230 V325T230-G330 WeakPolarHBondContact O-CA 3.41Å; V325-G330 WeakPolarHBondContact O-CA 3.35Å; V325-G330 PolarHBondContact O-N 3.29Å
331S98.7Very high98.5Very high14 Ų147.8 Ų7.810%0.0986%0.058CC..EExtended strand (participates in β ladder)trans-144156.2174.563.50000112.4V232V232-S331 PolarHBondContact N-O 3.4Å
332L98.9Very high98.5Very high1 Ų18.8 Ų8.81%0.0056%0.062CC..EExtended strand (participates in β ladder)trans-109.9131.8173-51.2176.4000110.2V232 K285 T286 I289 S322 V325 W326V232-L332 HydrophobicContact CB-CD2 3.66Å; V232-L332 HydrophobicContact CG1-CD2 4.16Å; V232-L332 HydrophobicContact CG2-CD2 4.2Å; V232-L332 VanDerWaalsContact O-CA 3.31Å; V232-L332 WeakPolarHBondContact O-CA 3.24Å; K285-L332 WeakPolarHBondContact CA-O 3.5Å; T286-L332 HydrophobicContact CG2-CB 3.67Å; T286-L332 PolarHBondContact N-O 2.97Å; T286-L332 WeakPolarHBondContact O-CB 3.32Å; I289-L332 HydrophobicContact CG2-CB 4.21Å; I289-L332 HydrophobicContact CG2-CD1 4.21Å; I289-L332 HydrophobicContact CG2-CD2 4.45Å; S322-L332 VanDerWaalsContact CB-CD1 3.43Å; S322-L332 WeakPolarHBondContact OG-CD1 3.42Å; V325-L332 HydrophobicContact CB-CD2 3.92Å; V325-L332 HydrophobicContact CG1-CD2 3.68Å; V325-L332 HydrophobicContact CG1-CG 4.32Å; V325-L332 HydrophobicContact CG2-CD2 4.26Å; W326-L332 HydrophobicContact CZ2-CB 4.19Å; W326-L332 VanDerWaalsContact CZ2-N 3.32Å
333E98.6Very high98.5Very high8 Ų88.9 Ų8.94%0.0376%0.063CC..EExtended strand (participates in β ladder)trans-131.4143.8179.8-52.6-178162.100111.9R224 R231 V232 V233 S234 P283 I284 L335R224-E333 IonicContact CZ-OE1 3.61Å; R224-E333 IonicContact CZ-OE2 3.9Å; R224-E333 IonicContact NE-OE2 3.18Å; R224-E333 PolarHBondContact NE-OE2 2.88Å; R224-E333 IonicContact NH2-OE1 3.42Å; R224-E333 PolarHBondContact NH2-OE1 3.5Å; R224-E333 IonicContact NH2-OE2 2.83Å; R224-E333 PolarHBondContact NH2-OE2 2.87Å; R231-E333 IonicContact NE-OE1 2.93Å; V232-E333 PolarHBondContact O-N 3.41Å; V233-E333 CarbonylContact C-O 3.48Å; V233-E333 WeakPolarHBondContact CA-O 3.27Å; V233-E333 HydrophobicContact CG1-CB 4.11Å; S234-E333 PolarHBondContact N-O 2.81Å; P283-E333 HydrophobicContact CB-CB 4.33Å; I284-E333 CarbonylContact O-C 3.51Å; I284-E333 VanDerWaalsContact O-CA 3.27Å; I284-E333 WeakPolarHBondContact O-CA 3.47Å; E333-L335 HydrophobicContact CB-CD2 4.24Å
334I98.5Very high98.3Very high7 Ų712.5 Ų12.54%0.0368%0.079CC..EExtended strand (participates in β ladder)trans-105.5129.7166.2-64.5167000107.8S234 V236 R255 W266 I284 T286 P336S234-I334 CarbonylContact O-C 3.5Å; S234-I334 WeakPolarHBondContact O-CA 3.34Å; V236-I334 HydrophobicContact CG2-CG2 3.68Å; R255-I334 HydrophobicContact CB-CD1 4.4Å; W266-I334 HydrophobicContact CZ3-CD1 4.24Å; I284-I334 HydrophobicContact CB-CB 4.41Å; I284-I334 PolarHBondContact N-O 2.57Å; I284-I334 PolarHBondContact O-N 2.83Å; T286-I334 HydrophobicContact CG2-CD1 4.12Å; T286-I334 HydrophobicContact CG2-CG1 3.96Å; I334-P336 WeakPolarHBondContact O-CD 3.34Å
335L98Very high97.9Very high8 Ų815.2 Ų15.24%0.0429%0.089CC..EExtended strand (participates in β ladder)trans-105.1109.6-177.4-56.2-166.5000111.5P220 L221 R224 V233 S234 P283 E333 C337 S338P220-L335 VanDerWaalsContact C-CD1 3.42Å; P220-L335 HydrophobicContact CB-CD1 4.09Å; P220-L335 WeakPolarHBondContact O-CD1 3.28Å; L221-L335 HydrophobicContact CD2-CB 4.27Å; L221-L335 HydrophobicContact CD2-CD1 3.74Å; L221-L335 HydrophobicContact CD2-CG 4.02Å; L221-L335 HydrophobicContact CG-CD1 4.33Å; R224-L335 HydrophobicContact CB-CD1 4.34Å; R224-L335 HydrophobicContact CG-CD1 3.5Å; R224-L335 VanDerWaalsContact CG-CD1 3.5Å; R224-L335 HydrophobicContact CG-CD2 3.97Å; R224-L335 HydrophobicContact CG-CG 4.37Å; V233-L335 HydrophobicContact CB-CD1 4.41Å; V233-L335 HydrophobicContact CB-CG 4.42Å; S234-L335 PolarHBondContact O-N 2.71Å; P283-L335 HydrophobicContact CB-CD2 3.54Å; P283-L335 HydrophobicContact CG-CD2 3.74Å; E333-L335 HydrophobicContact CB-CD2 4.24Å; L335-C337 PolarHBondContact O-N 3.21Å; L335-C337 VanDerWaalsContact O-N 3.14Å; L335-S338 PolarHBondContact O-N 3.33Å; L335-S338 VanDerWaalsContact O-O 3.09Å
336P97.5Very high97.3Very high2 Ų224 Ų241%0.01313%0.127CC..EExtended strand (participates in β ladder)trans-59-28.5-176.3-28.837.3000115.9A252 P280 Q282 I284 I334 S338 R339A252-P336 HydrophobicContact CB-CB 4.35Å; P280-P336 WeakPolarHBondContact O-CB 3.42Å; P280-P336 WeakPolarHBondContact O-CG 3.42Å; Q282-P336 VanDerWaalsContact O-CD 3.25Å; Q282-P336 WeakPolarHBondContact O-CD 3.45Å; Q282-P336 WeakPolarHBondContact O-CG 2.99Å; I284-P336 HydrophobicContact CD1-CG 4.09Å; I284-P336 HydrophobicContact CG1-CG 4.42Å; I334-P336 WeakPolarHBondContact O-CD 3.34Å; P336-S338 VanDerWaalsContact C-N 3.33Å; P336-R339 PolarHBondContact O-NE 3.04Å
337C98Very high96.6Very high3 Ų329.1 Ų29.12%0.0215%0.15CC..EExtended strand (participates in β ladder)trans-83.2-8.9178.4-640000113.8R106 C110 L113 P220 T281 L335R106-C337 WeakPolarHBondContact CD-O 3.2Å; C110-C337 VanDerWaalsContact CA-SG 3.53Å; C110-C337 HydrophobicContact CB-CB 3.63Å; C110-C337 WeakPolarHBondContact CB-SG 3.37Å; C110-C337 WeakPolarHBondContact SG-CA 3.49Å; C110-C337 WeakPolarHBondContact SG-CB 3.41Å; C110-C337 CovalentContact SG-SG 2.04Å; C110-C337 PolarHBondContact SG-SG 2.93Å; L113-C337 HydrophobicContact CD1-CB 4.36Å; P220-C337 HydrophobicContact CG-CB 4.29Å; T281-C337 VanDerWaalsContact CB-SG 3.53Å; L335-C337 PolarHBondContact O-N 3.21Å; L335-C337 VanDerWaalsContact O-N 3.14Å
338S98.6Very high95.9Very high0 Ų032 Ų320%016%0.163CC..EExtended strand (participates in β ladder)trans-98.9120.6169.9-176.30000109.4W217 L221 P235 V236 L335 P336W217-S338 WeakPolarHBondContact O-CB 3.48Å; W217-S338 PolarHBondContact O-OG 3.5Å; L221-S338 VanDerWaalsContact CD1-OG 3.26Å; L221-S338 WeakPolarHBondContact CD1-OG 3.22Å; L221-S338 WeakPolarHBondContact CG-OG 3.2Å; P235-S338 WeakPolarHBondContact CA-O 2.92Å; P235-S338 WeakPolarHBondContact CB-O 3.38Å; P235-S338 WeakPolarHBondContact CB-OG 3.35Å; V236-S338 PolarHBondContact N-O 3.49Å; L335-S338 PolarHBondContact O-N 3.33Å; L335-S338 VanDerWaalsContact O-O 3.09Å; P336-S338 VanDerWaalsContact C-N 3.33Å
339R98.6Very high95.2Very high13 Ų1333.3 Ų33.35%0.04917%0.171CC..EExtended strand (participates in β ladder)trans-125.5125.3-174.4-68.6-73.2179.2149.16.7110.1T105 R106 N214 D238 A250 P336T105-R339 PolarHBondContact O-NH2 3.27Å; R106-R339 HydrophobicContact CG-CB 4.37Å; R106-R339 HydrophobicContact CG-CG 3.65Å; N214-R339 HydrophobicContact CB-CB 3.76Å; N214-R339 VanDerWaalsContact CB-O 3.26Å; N214-R339 WeakPolarHBondContact CB-O 3.02Å; N214-R339 PolarHBondContact N-O 2.9Å; D238-R339 IonicContact OD1-CZ 3.49Å; D238-R339 IonicContact OD1-NH1 3.93Å; D238-R339 PolarHBondContact OD1-NH1 2.71Å; D238-R339 WeakPolarHBondContact OD2-CD 3.28Å; A250-R339 PolarHBondContact O-NH1 2.72Å; P336-R339 PolarHBondContact O-NE 3.04Å
340V98.8Very high94.5Very high0 Ų033.2 Ų33.20%015%0.153CC..EExtended strand (participates in β ladder)trans-137124.7175.4-176.20000109L207 C211 V213 W217 P235 V236 I237 D238 L293L207-V340 HydrophobicContact CD2-CG1 4.42Å; C211-V340 HydrophobicContact CB-CG1 3.98Å; V213-V340 HydrophobicContact CB-CG2 4.35Å; V213-V340 HydrophobicContact CG1-CG1 3.96Å; V213-V340 HydrophobicContact CG1-CG2 4.03Å; W217-V340 HydrophobicContact CB-CG2 4.41Å; W217-V340 HydrophobicContact CD2-CG2 4.17Å; W217-V340 HydrophobicContact CE3-CG2 3.5Å; W217-V340 VanDerWaalsContact CE3-CG2 3.5Å; W217-V340 HydrophobicContact CZ3-CG2 4.08Å; P235-V340 HydrophobicContact CB-CB 4.23Å; P235-V340 HydrophobicContact CB-CG2 3.77Å; P235-V340 HydrophobicContact CG-CB 4Å; P235-V340 HydrophobicContact CG-CG2 3.75Å; V236-V340 PolarHBondContact O-N 3.34Å; V236-V340 VanDerWaalsContact O-N 3.14Å; I237-V340 CarbonylContact C-O 3.59Å; I237-V340 VanDerWaalsContact CA-O 3.29Å; I237-V340 WeakPolarHBondContact CA-O 3.18Å; D238-V340 PolarHBondContact N-O 3.44Å; L293-V340 HydrophobicContact CD2-CB 3.75Å; L293-V340 HydrophobicContact CD2-CG1 3.37Å; L293-V340 HydrophobicContact CD2-CG2 4.45Å
341G98.6Very high93.8Very high0 Ų038 Ų380%018%0.18CC..EExtended strand (participates in β ladder)trans-75.9143.6173.900000111.5C211 E212 D238 Y247C211-G341 CarbonylContact C-O 3.57Å; C211-G341 WeakPolarHBondContact CA-O 3.49Å; C211-G341 WeakPolarHBondContact CB-O 3.14Å; E212-G341 PolarHBondContact N-O 3.07Å; E212-G341 PolarHBondContact O-N 2.75Å; D238-G341 CarbonylContact O-C 3.5Å; D238-G341 WeakPolarHBondContact O-CA 3.48Å; Y247-G341 VanDerWaalsContact CE2-CA 3.49Å; Y247-G341 PolarHBondContact OH-N 2.92Å
342H98.6Very high93.3Very high21 Ų2138.3 Ų38.310%0.09718%0.18CC..EExtended strand (participates in β ladder)trans-132.6138.5175.4-179.3-86000110.9D208 H210 I237 D238 I240 F344D208-H342 IonicContact OD2-CD2 2.99Å; D208-H342 IonicContact OD2-NE2 3.71Å; D208-H342 PolarHBondContact OD2-NE2 3.48Å; H210-H342 AromaticContact CD2-CD2 3.99Å; H210-H342 AromaticContact CD2-CE1 3.81Å; H210-H342 AromaticContact CD2-NE2 3.53Å; H210-H342 AromaticContact NE2-CE1 3.65Å; H210-H342 AromaticContact NE2-NE2 3.31Å; H210-H342 PolarHBondContact NE2-NE2 3.12Å; I237-H342 HydrophobicContact CG2-CB 3.5Å; D238-H342 PolarHBondContact O-N 3.04Å; I240-H342 PolarHBondContact N-O 3.31Å; H342-F344 HydrophobicContact CB-CD2 4.49Å; H342-F344 HydrophobicContact CB-CE2 4.07Å; H342-F344 HydrophobicContact CB-CZ 4.34Å; H342-F344 AromaticContact ND1-CD1 3.86Å; H342-F344 AromaticContact ND1-CE1 4Å; H342-F344 AromaticContact ND1-CG 3.89Å; H342-F344 WeakPolarHBondContact O-CD2 3.32Å; H342-F344 PolarHBondContact O-N 3.21Å
343V98.3Very high92.4Very high2 Ų243.2 Ų43.21%0.01221%0.211CC..EExtended strand (participates in β ladder)trans-78.795.5173-175.60000109.9F88 H210 I240 M242 F245 R345F88-V343 HydrophobicContact CB-CG1 3.95Å; F88-V343 HydrophobicContact CD1-CG1 4.02Å; F88-V343 HydrophobicContact CG-CG1 4.14Å; H210-V343 HydrophobicContact CB-CB 4.21Å; H210-V343 HydrophobicContact CB-CG2 4.13Å; H210-V343 PolarHBondContact O-N 3.3Å; H210-V343 VanDerWaalsContact O-N 3.14Å; I240-V343 HydrophobicContact CB-CG2 3.84Å; I240-V343 HydrophobicContact CD1-CG2 4.25Å; I240-V343 HydrophobicContact CG2-CG2 3.75Å; M242-V343 HydrophobicContact CB-CG1 4.24Å; F245-V343 HydrophobicContact CE1-CG2 4.04Å; F245-V343 HydrophobicContact CZ-CG2 4.43Å; V343-R345 HydrophobicContact CG1-CG 4.46Å; V343-R345 PolarHBondContact O-N 3.43Å
344F93.4Very high91.5Very high77 Ų7748.5 Ų48.534%0.33824%0.236SC..  trans-73.9122.9175.2-69.4-83.8000111I237 I239 H342I237-F344 HydrophobicContact CB-CZ 4.48Å; I237-F344 HydrophobicContact CG2-CE2 3.96Å; I237-F344 HydrophobicContact CG2-CZ 3.65Å; I239-F344 HydrophobicContact CB-CD2 4.32Å; I239-F344 HydrophobicContact CB-CE2 4.48Å; I239-F344 HydrophobicContact CG1-CD2 4.04Å; I239-F344 HydrophobicContact CG1-CE2 3.92Å; I239-F344 HydrophobicContact CG2-CD2 4.15Å; H342-F344 HydrophobicContact CB-CD2 4.49Å; H342-F344 HydrophobicContact CB-CE2 4.07Å; H342-F344 HydrophobicContact CB-CZ 4.34Å; H342-F344 AromaticContact ND1-CD1 3.86Å; H342-F344 AromaticContact ND1-CE1 4Å; H342-F344 AromaticContact ND1-CG 3.89Å; H342-F344 WeakPolarHBondContact O-CD2 3.32Å; H342-F344 PolarHBondContact O-N 3.21Å
345R91.3Very high90.9Very high57 Ų5749.6 Ų49.622%0.21525%0.249CC..  trans-107.6151.2-177.2-51.7176.9-159.1-1605.3110.4Y86 F88 E131 H210 V343Y86-R345 WeakPolarHBondContact O-CD 3.43Å; Y86-R345 PolarHBondContact O-NH1 2.95Å; F88-R345 HydrophobicContact CD1-CG 4.48Å; F88-R345 VanDerWaalsContact CE1-CZ 3.43Å; E131-R345 IonicContact OE1-NH2 3.31Å; E131-R345 PolarHBondContact OE1-NH2 3.33Å; E131-R345 IonicContact OE2-NH2 2.83Å; E131-R345 PolarHBondContact OE2-NH2 3.36Å; H210-R345 PolarHBondContact CE1-NH2 3.05Å; H210-R345 PolarHBondContact ND1-NH2 3.27Å; H210-R345 PolarHBondContact NE2-NH2 3.16Å; V343-R345 HydrophobicContact CG1-CG 4.46Å; V343-R345 PolarHBondContact O-N 3.43Å
346K85.2Confident90.5Very high185 Ų18552.3 Ų52.380%0.80426%0.264SS*.SBendtrans-81-22.2174.4-67.9176-176.7171.80113.8M242M242-K346 HydrophobicContact SD-CD 4.27Å; M242-K346 HydrophobicContact SD-CG 3.9Å
347K85.4Confident90Very high126 Ų12655.2 Ų55.255%0.54829%0.288SS..SBendtrans-144.3156.5-178.466.7179.3-1781780110.9A87A87-K347 HydrophobicContact CB-CD 4.4Å; A87-K347 HydrophobicContact CB-CG 3.59Å; A87-K347 WeakPolarHBondContact CB-O 3.07Å
348H82.9Confident89.7Confident63 Ų6358.3 Ų58.329%0.29231%0.305SS..  trans-79.2130.8171.8-58-82.9000109.7W314 Y350 F352 N356W314-H348 AromaticContact CD2-CE1 3.75Å; W314-H348 AromaticContact CE2-CE1 3.86Å; W314-H348 AromaticContact CE3-CE1 3.59Å; W314-H348 AromaticContact CE3-NE2 3.93Å; W314-H348 AromaticContact CH2-CE1 3.69Å; W314-H348 AromaticContact CH2-NE2 3.95Å; W314-H348 AromaticContact CZ2-CE1 3.85Å; W314-H348 AromaticContact CZ3-CE1 3.56Å; W314-H348 AromaticContact CZ3-NE2 3.62Å; H348-Y350 VanDerWaalsContact C-N 3.3Å; H348-Y350 HydrophobicContact CB-CD2 4.31Å; H348-Y350 HydrophobicContact CB-CE1 4.36Å; H348-Y350 HydrophobicContact CB-CE2 3.98Å; H348-Y350 AromaticContact ND1-CZ 3.52Å; H348-Y350 PolarHBondContact ND1-OH 2.99Å; H348-F352 HydrophobicContact CB-CE2 3.79Å; H348-F352 HydrophobicContact CB-CZ 4.3Å; H348-F352 AromaticContact CG-CE2 3.95Å; H348-N356 PolarHBondContact CD2-ND2 3.27Å
349P84Confident89.4Confident43 Ų4358.5 Ų58.528%0.27931%0.306SS..  trans-83.1-3.4178.634-37.7000114.2L85 A87L85-P349 WeakPolarHBondContact O-CB 3.23Å; A87-P349 HydrophobicContact CB-CB 4.14Å
350Y84.5Confident89.2Confident59 Ų5959 Ų5923%0.23131%0.308CS..SBendtrans-113.3156.5-17248.7-106.2000112.9I313 H348 F352I313-Y350 HydrophobicContact CG2-CD2 4.39Å; I313-Y350 HydrophobicContact CG2-CE2 4.17Å; H348-Y350 VanDerWaalsContact C-N 3.3Å; H348-Y350 HydrophobicContact CB-CD2 4.31Å; H348-Y350 HydrophobicContact CB-CE1 4.36Å; H348-Y350 HydrophobicContact CB-CE2 3.98Å; H348-Y350 AromaticContact ND1-CZ 3.52Å; H348-Y350 PolarHBondContact ND1-OH 2.99Å; Y350-F352 HydrophobicContact CD2-CD2 4.35Å; Y350-F352 AromaticContact CD2-CE2 3.8Å; Y350-F352 HydrophobicContact CD2-CE2 3.8Å; Y350-F352 HydrophobicContact CD2-CZ 4.07Å; Y350-F352 HydrophobicContact CE2-CE1 4.18Å; Y350-F352 AromaticContact CE2-CE2 3.61Å; Y350-F352 HydrophobicContact CE2-CE2 3.61Å; Y350-F352 AromaticContact CE2-CZ 3.43Å; Y350-F352 HydrophobicContact CE2-CZ 3.43Å; Y350-F352 VanDerWaalsContact CE2-CZ 3.43Å
351V83.4Confident89Confident108 Ų10859.5 Ų59.566%0.65531%0.31SS*.  trans-77.2140.4-176.9-178.10000110.9R185R185-V351 PolarHBondContact NH1-O 2.84Å; R185-V351 PolarHBondContact NH2-O 3.01Å
352F87.3Confident88.9Confident22 Ų2261.5 Ų61.510%0.09632%0.319CS..  trans-109116168.6-69.3-99.5000108.4I313 W314 H348 Y350 E354 G355 N356 T359I313-F352 HydrophobicContact CB-CD1 4.21Å; I313-F352 HydrophobicContact CB-CE1 4.34Å; I313-F352 HydrophobicContact CG2-CD1 3.91Å; I313-F352 HydrophobicContact CG2-CE1 3.83Å; W314-F352 HydrophobicContact CB-CE1 4.29Å; H348-F352 HydrophobicContact CB-CE2 3.79Å; H348-F352 HydrophobicContact CB-CZ 4.3Å; H348-F352 AromaticContact CG-CE2 3.95Å; Y350-F352 HydrophobicContact CD2-CD2 4.35Å; Y350-F352 AromaticContact CD2-CE2 3.8Å; Y350-F352 HydrophobicContact CD2-CE2 3.8Å; Y350-F352 HydrophobicContact CD2-CZ 4.07Å; Y350-F352 HydrophobicContact CE2-CE1 4.18Å; Y350-F352 AromaticContact CE2-CE2 3.61Å; Y350-F352 HydrophobicContact CE2-CE2 3.61Å; Y350-F352 AromaticContact CE2-CZ 3.43Å; Y350-F352 HydrophobicContact CE2-CZ 3.43Å; Y350-F352 VanDerWaalsContact CE2-CZ 3.43Å; F352-E354 VanDerWaalsContact C-N 3.27Å; F352-E354 PolarHBondContact O-N 2.78Å; F352-G355 VanDerWaalsContact CB-C 3.43Å; F352-G355 PolarHBondContact O-N 2.79Å; F352-N356 HydrophobicContact CD1-CB 4.32Å; F352-N356 HydrophobicContact CD2-CB 3.77Å; F352-N356 HydrophobicContact CE1-CB 4.39Å; F352-N356 HydrophobicContact CE2-CB 3.86Å; F352-N356 HydrophobicContact CG-CB 3.99Å; F352-N356 HydrophobicContact CZ-CB 4.15Å; F352-N356 WeakPolarHBondContact CZ-OD1 3.5Å; F352-T359 HydrophobicContact CD1-CG2 4.04Å; F352-T359 HydrophobicContact CE1-CG2 4.42Å
353P81.9Confident88.9Confident104 Ų10460.5 Ų60.568%0.67531%0.314SS*.THydrogen-bonded Turntrans-54.4-39.8-175.1-28.235.3000114.1
354E78.3Confident88.8Confident118 Ų11860.4 Ų60.455%0.55131%0.314SS*.THydrogen-bonded Turntrans-1018.9178.9-59.8-172.7170.700113.1F352 N358F352-E354 VanDerWaalsContact C-N 3.27Å; F352-E354 PolarHBondContact O-N 2.78Å; E354-N358 HydrophobicContact CB-CB 4.45Å; E354-N358 WeakPolarHBondContact O-CB 3.38Å; E354-N358 PolarHBondContact O-ND2 2.81Å
355G86.8Confident89Confident31 Ų3157.7 Ų57.732%0.3230%0.301SS..  trans83.6147.9-170.800000113.4F352 A357 N358 T359F352-G355 VanDerWaalsContact CB-C 3.43Å; F352-G355 PolarHBondContact O-N 2.79Å; G355-A357 PolarHBondContact O-N 3.42Å; G355-N358 PolarHBondContact O-N 2.85Å; G355-T359 WeakPolarHBondContact O-CB 3.22Å; G355-T359 PolarHBondContact O-N 2.77Å; G355-T359 PolarHBondContact O-OG1 3.11Å
356N88.1Confident89.3Confident65 Ų6555.2 Ų55.235%0.34829%0.292SS..Hα-helixtrans-56.7-49.1-175.8-178.415000111.8H348 F352 N358 T359 Y360H348-N356 PolarHBondContact CD2-ND2 3.27Å; F352-N356 HydrophobicContact CD1-CB 4.32Å; F352-N356 HydrophobicContact CD2-CB 3.77Å; F352-N356 HydrophobicContact CE1-CB 4.39Å; F352-N356 HydrophobicContact CE2-CB 3.86Å; F352-N356 HydrophobicContact CG-CB 3.99Å; F352-N356 HydrophobicContact CZ-CB 4.15Å; F352-N356 WeakPolarHBondContact CZ-OD1 3.5Å; N356-N358 PolarHBondContact O-N 3.06Å; N356-T359 PolarHBondContact O-N 2.9Å; N356-Y360 WeakPolarHBondContact O-CB 3.37Å; N356-Y360 PolarHBondContact O-N 3.49Å
357A88Confident90Very high63 Ų6346.4 Ų46.452%0.52125%0.254SS..Hα-helixtrans-61.6-44.7-177.200000113G355 Y360 I361G355-A357 PolarHBondContact O-N 3.42Å; A357-Y360 PolarHBondContact O-N 3.31Å; A357-I361 WeakPolarHBondContact O-CB 3.48Å; A357-I361 VanDerWaalsContact O-CG1 3.23Å; A357-I361 WeakPolarHBondContact O-CG1 3.36Å; A357-I361 PolarHBondContact O-N 3.33Å
358N91.3Very high90.5Very high68 Ų6840.4 Ų40.436%0.36423%0.228SC..Hα-helixtrans-68.4-40.2179.3-67.7-40.3000111.6E354 G355 N356 I361 K362E354-N358 HydrophobicContact CB-CB 4.45Å; E354-N358 WeakPolarHBondContact O-CB 3.38Å; E354-N358 PolarHBondContact O-ND2 2.81Å; G355-N358 PolarHBondContact O-N 2.85Å; N356-N358 PolarHBondContact O-N 3.06Å; N358-I361 PolarHBondContact O-N 3.49Å; N358-K362 WeakPolarHBondContact O-CB 3.3Å; N358-K362 PolarHBondContact O-N 3.48Å
359T93.3Very high91.2Very high4 Ų440.4 Ų40.43%0.02523%0.228CC..Hα-helixtrans-60.6-47.5176-54.20000110.6D312 I313 F352 G355 N356 I361 K362 N363D312-T359 HydrophobicContact CB-CG2 4.05Å; D312-T359 WeakPolarHBondContact O-CG2 3.47Å; I313-T359 HydrophobicContact CB-CG2 4.15Å; F352-T359 HydrophobicContact CD1-CG2 4.04Å; F352-T359 HydrophobicContact CE1-CG2 4.42Å; G355-T359 WeakPolarHBondContact O-CB 3.22Å; G355-T359 PolarHBondContact O-N 2.77Å; G355-T359 PolarHBondContact O-OG1 3.11Å; N356-T359 PolarHBondContact O-N 2.9Å; T359-I361 PolarHBondContact O-N 2.76Å; T359-K362 PolarHBondContact O-N 2.87Å; T359-N363 PolarHBondContact O-N 3.14Å
360Y93.9Very high91.9Very high23 Ų2338.5 Ų38.59%0.0922%0.215CC..Hα-helixtrans-62-43.5176.9-167.5-93.4000112.2L262 W314 N356 A357 N363 T364L262-Y360 PolarHBondContact O-OH 3.17Å; W314-Y360 HydrophobicContact CE3-CD2 4.42Å; W314-Y360 HydrophobicContact CH2-CE2 4.41Å; W314-Y360 AromaticContact CZ3-CD2 3.88Å; W314-Y360 HydrophobicContact CZ3-CD2 3.88Å; W314-Y360 HydrophobicContact CZ3-CE2 4.02Å; N356-Y360 WeakPolarHBondContact O-CB 3.37Å; N356-Y360 PolarHBondContact O-N 3.49Å; A357-Y360 PolarHBondContact O-N 3.31Å; Y360-N363 PolarHBondContact O-N 2.89Å; Y360-T364 HydrophobicContact CD1-CG2 3.87Å; Y360-T364 HydrophobicContact CE1-CG2 3.48Å; Y360-T364 VanDerWaalsContact CE1-CG2 3.48Å; Y360-T364 HydrophobicContact CE2-CG2 4.4Å; Y360-T364 HydrophobicContact CG-CG2 4.48Å; Y360-T364 WeakPolarHBondContact O-CB 3.11Å; Y360-T364 WeakPolarHBondContact O-CG2 3.38Å; Y360-T364 PolarHBondContact O-N 3.47Å; Y360-T364 PolarHBondContact O-OG1 2.83Å
361I95.1Very high92.6Very high10 Ų1035.8 Ų35.85%0.05120%0.204CC..Hα-helixtrans-60.3-49.4175.4-76.2167000110.3A357 N358 T359 N363 T364 R365 A385 A386 K389A357-I361 WeakPolarHBondContact O-CB 3.48Å; A357-I361 VanDerWaalsContact O-CG1 3.23Å; A357-I361 WeakPolarHBondContact O-CG1 3.36Å; A357-I361 PolarHBondContact O-N 3.33Å; N358-I361 PolarHBondContact O-N 3.49Å; T359-I361 PolarHBondContact O-N 2.76Å; I361-N363 VanDerWaalsContact C-N 3.34Å; I361-N363 PolarHBondContact O-N 2.81Å; I361-T364 WeakPolarHBondContact CA-OG1 3.27Å; I361-T364 PolarHBondContact O-N 3.31Å; I361-T364 PolarHBondContact O-OG1 2.7Å; I361-R365 HydrophobicContact CG2-CG 4.19Å; I361-R365 VanDerWaalsContact O-CB 3.3Å; I361-R365 WeakPolarHBondContact O-CB 3.26Å; I361-R365 WeakPolarHBondContact O-CG 3.49Å; I361-R365 PolarHBondContact O-N 3.47Å; I361-A385 HydrophobicContact CD1-CB 4.32Å; I361-A386 HydrophobicContact CG2-CB 3.85Å; I361-K389 HydrophobicContact CG2-CB 4.23Å; I361-K389 HydrophobicContact CG2-CG 4.24Å
362K96.2Very high93.3Very high43 Ų4330.6 Ų30.619%0.18717%0.173CC..Hα-helixtrans-52.8-53.6178.2176.3177.6-179.6176.90110.7D312 N358 T359 R365 R366D312-K362 WeakPolarHBondContact OD2-CE 3.49Å; D312-K362 IonicContact OD2-NZ 2.73Å; D312-K362 PolarHBondContact OD2-NZ 3.18Å; N358-K362 WeakPolarHBondContact O-CB 3.3Å; N358-K362 PolarHBondContact O-N 3.48Å; T359-K362 PolarHBondContact O-N 2.87Å; K362-R365 PolarHBondContact O-N 3.28Å; K362-R366 WeakPolarHBondContact O-CG 3.31Å; K362-R366 PolarHBondContact O-N 3.02Å; K362-R366 VanDerWaalsContact O-N 3.13Å
363N97.6Very high93.6Very high0 Ų032 Ų320%018%0.182CC..Hα-helixtrans-66.8-45.5-176.6-62.4-11000112.3M311 D312 W314 G315 T359 Y360 I361 R365 R366 T367M311-N363 VanDerWaalsContact CA-OD1 3.27Å; M311-N363 WeakPolarHBondContact CA-OD1 3.37Å; M311-N363 HydrophobicContact CB-CB 4.39Å; M311-N363 HydrophobicContact CG-CB 4.12Å; M311-N363 HydrophobicContact SD-CB 4.27Å; D312-N363 PolarHBondContact N-OD1 3.27Å; D312-N363 PolarHBondContact O-ND2 2.8Å; W314-N363 PolarHBondContact O-ND2 3.36Å; G315-N363 WeakPolarHBondContact O-CB 3.38Å; G315-N363 PolarHBondContact O-ND2 3.44Å; T359-N363 PolarHBondContact O-N 3.14Å; Y360-N363 PolarHBondContact O-N 2.89Å; I361-N363 VanDerWaalsContact C-N 3.34Å; I361-N363 PolarHBondContact O-N 2.81Å; N363-R365 VanDerWaalsContact C-N 3.31Å; N363-R365 PolarHBondContact O-N 3.18Å; N363-R366 WeakPolarHBondContact O-CB 3.27Å; N363-R366 PolarHBondContact O-N 3.24Å; N363-T367 PolarHBondContact O-N 3.43Å; N363-T367 VanDerWaalsContact O-N 3.1Å; N363-T367 PolarHBondContact O-OG1 2.68Å
364T97.6Very high93.9Very high0 Ų030.4 Ų30.40%017%0.167CC..Hα-helixtrans-65.8-32.1178.650.60000113L262 Y360 I361 T367 A368 Y379L262-T364 HydrophobicContact CB-CG2 4.08Å; L262-T364 HydrophobicContact CD1-CG2 4.33Å; Y360-T364 HydrophobicContact CD1-CG2 3.87Å; Y360-T364 HydrophobicContact CE1-CG2 3.48Å; Y360-T364 VanDerWaalsContact CE1-CG2 3.48Å; Y360-T364 HydrophobicContact CE2-CG2 4.4Å; Y360-T364 HydrophobicContact CG-CG2 4.48Å; Y360-T364 WeakPolarHBondContact O-CB 3.11Å; Y360-T364 WeakPolarHBondContact O-CG2 3.38Å; Y360-T364 PolarHBondContact O-N 3.47Å; Y360-T364 PolarHBondContact O-OG1 2.83Å; I361-T364 WeakPolarHBondContact CA-OG1 3.27Å; I361-T364 PolarHBondContact O-N 3.31Å; I361-T364 PolarHBondContact O-OG1 2.7Å; T364-T367 WeakPolarHBondContact O-CB 3.44Å; T364-T367 PolarHBondContact O-N 3.02Å; T364-A368 WeakPolarHBondContact O-CB 3.38Å; T364-A368 PolarHBondContact O-N 3.1Å; T364-Y379 PolarHBondContact OG1-OH 3.46Å
365R97.1Very high94.6Very high19 Ų1926.7 Ų26.77%0.07215%0.149CC..Hα-helixtrans-63.6-45.6170.6-76.8-165.474.3178.8-9.1112.3I361 K362 N363 T367 A368 E369 Y379 Y380 A386 K389 Y391I361-R365 HydrophobicContact CG2-CG 4.19Å; I361-R365 VanDerWaalsContact O-CB 3.3Å; I361-R365 WeakPolarHBondContact O-CB 3.26Å; I361-R365 WeakPolarHBondContact O-CG 3.49Å; I361-R365 PolarHBondContact O-N 3.47Å; K362-R365 PolarHBondContact O-N 3.28Å; N363-R365 VanDerWaalsContact C-N 3.31Å; N363-R365 PolarHBondContact O-N 3.18Å; R365-T367 PolarHBondContact O-N 3.21Å; R365-A368 PolarHBondContact O-N 2.93Å; R365-A368 VanDerWaalsContact O-N 3.14Å; R365-E369 IonicContact NH2-OE1 3.01Å; R365-E369 PolarHBondContact NH2-OE1 2.78Å; R365-E369 WeakPolarHBondContact O-CB 3.42Å; R365-E369 WeakPolarHBondContact O-CG 3.46Å; R365-E369 PolarHBondContact O-N 2.92Å; R365-Y379 HydrophobicContact CG-CE1 3.83Å; R365-Y379 WeakPolarHBondContact CG-OH 3.45Å; R365-Y380 HydrophobicContact CG-CE1 4.14Å; R365-Y380 PolarHBondContact NE-OH 2.74Å; R365-Y380 PolarHBondContact NH2-OH 2.82Å; R365-Y380 VanDerWaalsContact NH2-OH 3.13Å; R365-A386 VanDerWaalsContact CD-O 3.27Å; R365-A386 WeakPolarHBondContact CD-O 3.35Å; R365-A386 HydrophobicContact CG-CB 4.1Å; R365-A386 PolarHBondContact NE-O 3.23Å; R365-A386 PolarHBondContact NH1-O 2.64Å; R365-K389 PolarHBondContact NH1-O 3.35Å; R365-Y391 HydrophobicContact CB-CD1 4.36Å; R365-Y391 HydrophobicContact CB-CG 4.22Å
366R98.3Very high94.8Very high6 Ų625.9 Ų25.92%0.02314%0.139CC..Hα-helixtrans-56.4-40.6175-65.1178.967.4737.7111D308 A310 M311 K362 N363 V370 Y391 D393 I394D308-R366 VanDerWaalsContact CG-NH2 3.31Å; D308-R366 IonicContact OD1-CZ 3.11Å; D308-R366 IonicContact OD1-NE 3.58Å; D308-R366 IonicContact OD1-NH2 2.99Å; D308-R366 PolarHBondContact OD1-NH2 3Å; D308-R366 IonicContact OD2-CZ 3.23Å; D308-R366 IonicContact OD2-NE 2.67Å; D308-R366 PolarHBondContact OD2-NE 2.73Å; D308-R366 IonicContact OD2-NH2 2.83Å; D308-R366 PolarHBondContact OD2-NH2 3.08Å; A310-R366 VanDerWaalsContact CB-CZ 3.47Å; M311-R366 HydrophobicContact CE-CB 4.23Å; K362-R366 WeakPolarHBondContact O-CG 3.31Å; K362-R366 PolarHBondContact O-N 3.02Å; K362-R366 VanDerWaalsContact O-N 3.13Å; N363-R366 WeakPolarHBondContact O-CB 3.27Å; N363-R366 PolarHBondContact O-N 3.24Å; R366-V370 WeakPolarHBondContact O-CB 3.47Å; R366-V370 VanDerWaalsContact O-CG2 3.23Å; R366-V370 WeakPolarHBondContact O-CG2 3.45Å; R366-V370 PolarHBondContact O-N 2.82Å; R366-Y391 WeakPolarHBondContact CD-O 3.44Å; R366-Y391 HydrophobicContact CG-CD2 4.38Å; R366-Y391 VanDerWaalsContact CG-O 3.3Å; R366-Y391 WeakPolarHBondContact CG-O 3.36Å; R366-Y391 PolarHBondContact NH1-O 2.77Å; R366-D393 PolarHBondContact NH1-O 3.14Å; R366-D393 PolarHBondContact NH2-O 2.85Å; R366-I394 HydrophobicContact CB-CG2 4.46Å; R366-I394 HydrophobicContact CG-CG2 4.29Å
367T98.2Very high94.8Very high0 Ų023.9 Ų23.90%013%0.128CC..Hα-helixtrans-62.9-52173.5-55.90000112.2M311 G316 F319 E320 F323 N363 T364 R365 V370 W371M311-T367 WeakPolarHBondContact CE-OG1 3.47Å; G316-T367 PolarHBondContact O-OG1 2.65Å; F319-T367 HydrophobicContact CB-CG2 3.81Å; E320-T367 HydrophobicContact CB-CG2 4.17Å; F323-T367 HydrophobicContact CD2-CG2 3.66Å; F323-T367 HydrophobicContact CE2-CG2 3.82Å; N363-T367 PolarHBondContact O-N 3.43Å; N363-T367 VanDerWaalsContact O-N 3.1Å; N363-T367 PolarHBondContact O-OG1 2.68Å; T364-T367 WeakPolarHBondContact O-CB 3.44Å; T364-T367 PolarHBondContact O-N 3.02Å; R365-T367 PolarHBondContact O-N 3.21Å; T367-V370 PolarHBondContact O-N 2.88Å; T367-W371 WeakPolarHBondContact O-CB 3.38Å; T367-W371 PolarHBondContact O-N 3.31Å
368A97.8Very high94.8Very high0 Ų021.3 Ų21.30%011%0.105CC..Hα-helixtrans-61.1-48.1-17600000112.2L262 T364 R365 V370 M372 Y379L262-A368 HydrophobicContact CD1-CB 4.33Å; T364-A368 WeakPolarHBondContact O-CB 3.38Å; T364-A368 PolarHBondContact O-N 3.1Å; R365-A368 PolarHBondContact O-N 2.93Å; R365-A368 VanDerWaalsContact O-N 3.14Å; A368-V370 VanDerWaalsContact C-N 3.28Å; A368-V370 PolarHBondContact O-N 3.13Å; A368-M372 HydrophobicContact CB-CG 4.44Å; A368-M372 HydrophobicContact CB-SD 3.68Å; A368-M372 WeakPolarHBondContact O-CB 3.27Å; A368-M372 PolarHBondContact O-N 3.16Å; A368-Y379 HydrophobicContact CB-CD1 3.95Å; A368-Y379 HydrophobicContact CB-CE1 4.42Å; A368-Y379 HydrophobicContact CB-CG 4.25Å
369E97.1Very high94.8Very high63 Ų6318.1 Ų18.129%0.2949%0.088SC..Hα-helixtrans-64.6-30.7-177.8-65.6-74.3-177.600112.8R365 Y380 Y391 I394R365-E369 IonicContact NH2-OE1 3.01Å; R365-E369 PolarHBondContact NH2-OE1 2.78Å; R365-E369 WeakPolarHBondContact O-CB 3.42Å; R365-E369 WeakPolarHBondContact O-CG 3.46Å; R365-E369 PolarHBondContact O-N 2.92Å; E369-Y380 PolarHBondContact OE1-OH 3.27Å; E369-Y391 HydrophobicContact CB-CE2 4.39Å; E369-Y391 HydrophobicContact CG-CE1 4.2Å; E369-Y391 HydrophobicContact CG-CE2 4.04Å; E369-I394 HydrophobicContact CB-CD1 3.66Å
370V98.4Very high94.5Very high3 Ų318.7 Ų18.72%0.0189%0.09CC..Hα-helixtrans-88.5-38.4-179.4177.30000112.1R366 T367 A368 I394 R397 V398 R401R366-V370 WeakPolarHBondContact O-CB 3.47Å; R366-V370 VanDerWaalsContact O-CG2 3.23Å; R366-V370 WeakPolarHBondContact O-CG2 3.45Å; R366-V370 PolarHBondContact O-N 2.82Å; T367-V370 PolarHBondContact O-N 2.88Å; A368-V370 VanDerWaalsContact C-N 3.28Å; A368-V370 PolarHBondContact O-N 3.13Å; V370-I394 HydrophobicContact CG2-CB 3.87Å; V370-I394 HydrophobicContact CG2-CD1 4.01Å; V370-I394 HydrophobicContact CG2-CG1 4.49Å; V370-I394 HydrophobicContact CG2-CG2 4.19Å; V370-R397 HydrophobicContact CG1-CB 3.94Å; V370-R397 HydrophobicContact CG2-CB 3.84Å; V370-V398 HydrophobicContact CG2-CG2 4.32Å; V370-R401 VanDerWaalsContact O-CD 3.23Å; V370-R401 WeakPolarHBondContact O-CD 3.25Å; V370-R401 PolarHBondContact O-NH1 3.15Å
371W98.6Very high94.1Very high1 Ų119.2 Ų19.20%0.00410%0.097CC..Hα-helixtrans-117.5-13.7-162.1-63.8105000115.6E320 F323 R324 Q327 C328 T367 R401 C406 F409E320-W371 PolarHBondContact OE1-NE1 3.22Å; E320-W371 VanDerWaalsContact OE1-NE1 3.12Å; F323-W371 HydrophobicContact CB-CB 3.97Å; F323-W371 HydrophobicContact CB-CG 4.18Å; F323-W371 HydrophobicContact CD2-CB 3.92Å; F323-W371 HydrophobicContact CG-CB 4.42Å; R324-W371 HydrophobicContact CB-CD2 4.36Å; R324-W371 HydrophobicContact CB-CE3 4.34Å; R324-W371 HydrophobicContact CB-CH2 3.56Å; R324-W371 HydrophobicContact CB-CZ2 3.56Å; R324-W371 HydrophobicContact CB-CZ3 3.96Å; R324-W371 VanDerWaalsContact CD-CZ2 3.44Å; R324-W371 HydrophobicContact CG-CH2 3.44Å; R324-W371 VanDerWaalsContact CG-CH2 3.44Å; R324-W371 HydrophobicContact CG-CZ2 3.68Å; R324-W371 HydrophobicContact CG-CZ3 4.16Å; Q327-W371 PolarHBondContact NE2-O 2.91Å; Q327-W371 VanDerWaalsContact NE2-O 3.07Å; Q327-W371 PolarHBondContact OE1-O 3.25Å; C328-W371 VanDerWaalsContact SG-CZ3 3.59Å; T367-W371 WeakPolarHBondContact O-CB 3.38Å; T367-W371 PolarHBondContact O-N 3.31Å; W371-R401 HydrophobicContact CE3-CG 4.27Å; W371-R401 HydrophobicContact CH2-CB 4.02Å; W371-R401 HydrophobicContact CH2-CG 4.06Å; W371-R401 HydrophobicContact CZ3-CB 4.2Å; W371-R401 HydrophobicContact CZ3-CG 3.71Å; W371-C406 HydrophobicContact CZ3-CB 4.3Å; W371-F409 WeakPolarHBondContact O-CB 3.33Å; W371-F409 WeakPolarHBondContact O-CD2 3.43Å
372M97.7Very high93.6Very high0 Ų021.3 Ų21.30%012%0.116CC..SBendtrans-101.4-2.7-173.1-64.2178.16400114.7W260 L262 F323 A368 D374 F375 F409W260-M372 HydrophobicContact CE3-CE 4.06Å; W260-M372 HydrophobicContact CZ3-CE 3.94Å; L262-M372 HydrophobicContact CD1-SD 3.95Å; L262-M372 HydrophobicContact CD2-CE 4.45Å; L262-M372 HydrophobicContact CD2-SD 3.94Å; L262-M372 HydrophobicContact CG-SD 4.28Å; F323-M372 HydrophobicContact CD2-CG 4.45Å; F323-M372 HydrophobicContact CE2-CG 4Å; F323-M372 HydrophobicContact CE2-SD 4.21Å; A368-M372 HydrophobicContact CB-CG 4.44Å; A368-M372 HydrophobicContact CB-SD 3.68Å; A368-M372 WeakPolarHBondContact O-CB 3.27Å; A368-M372 PolarHBondContact O-N 3.16Å; M372-D374 PolarHBondContact O-N 3.35Å; M372-F375 WeakPolarHBondContact O-CA 3.36Å; M372-F375 VanDerWaalsContact O-CB 3.25Å; M372-F375 WeakPolarHBondContact O-CB 3.47Å; M372-F375 PolarHBondContact O-N 3.09Å; M372-F409 HydrophobicContact CB-CD1 4.32Å; M372-F409 HydrophobicContact CB-CD2 4.39Å; M372-F409 HydrophobicContact CB-CE1 4.44Å; M372-F409 HydrophobicContact CB-CG 4.28Å; M372-F409 HydrophobicContact CE-CE1 4.18Å; M372-F409 HydrophobicContact CE-CZ 4.16Å; M372-F409 HydrophobicContact CG-CD2 4.13Å; M372-F409 HydrophobicContact CG-CE1 4.28Å; M372-F409 HydrophobicContact CG-CE2 3.85Å; M372-F409 HydrophobicContact CG-CG 4.47Å; M372-F409 HydrophobicContact CG-CZ 3.92Å
373D94.9Very high93.2Very high52 Ų5221.9 Ų21.928%0.27812%0.117SC..G310 helixtrans50.8-140.7-176.9-53.1-32.5000110.8F375 S376 R401 S408 F409D373-F375 PolarHBondContact O-N 3.29Å; D373-F375 VanDerWaalsContact O-N 3.17Å; D373-S376 WeakPolarHBondContact O-CB 3.43Å; D373-S376 PolarHBondContact O-N 3Å; D373-S376 PolarHBondContact O-OG 2.58Å; D373-R401 IonicContact OD1-CZ 3.03Å; D373-R401 IonicContact OD1-NH1 2.8Å; D373-R401 PolarHBondContact OD1-NH1 3.23Å; D373-R401 IonicContact OD1-NH2 2.59Å; D373-R401 PolarHBondContact OD1-NH2 2.97Å; D373-R401 IonicContact OD2-NH2 3.18Å; D373-R401 PolarHBondContact OD2-NH2 3.46Å; D373-S408 WeakPolarHBondContact OD2-CA 3.47Å; D373-S408 WeakPolarHBondContact OD2-CB 3.44Å; D373-F409 HydrophobicContact CB-CB 4.42Å; D373-F409 PolarHBondContact OD2-N 3.48Å
374D88.8Confident92.5Very high69 Ų6925.4 Ų25.437%0.36914%0.14SC..G310 helixtrans-63.9-15175.5-66.3-54.8000114.1M372 S376 L377 R510M372-D374 PolarHBondContact O-N 3.35Å; D374-S376 PolarHBondContact O-N 3.28Å; D374-L377 WeakPolarHBondContact O-CB 3.17Å; D374-L377 WeakPolarHBondContact O-CG 3.49Å; D374-L377 PolarHBondContact O-N 3.45Å; D374-R510 IonicContact OD1-NH2 3.7Å
375F91.3Very high92Very high40 Ų4028.5 Ų28.518%0.17517%0.165CC..G310 helixtrans-75.2-9.9177.2-59.7-97.4000112.6W260 M372 D373 L377 F378 F409 K410 L413 V422W260-F375 HydrophobicContact CH2-CB 4.33Å; W260-F375 AromaticContact CH2-CD1 3.99Å; W260-F375 HydrophobicContact CH2-CD1 3.99Å; W260-F375 HydrophobicContact CZ3-CB 3.97Å; W260-F375 HydrophobicContact CZ3-CD1 4.44Å; M372-F375 WeakPolarHBondContact O-CA 3.36Å; M372-F375 VanDerWaalsContact O-CB 3.25Å; M372-F375 WeakPolarHBondContact O-CB 3.47Å; M372-F375 PolarHBondContact O-N 3.09Å; D373-F375 PolarHBondContact O-N 3.29Å; D373-F375 VanDerWaalsContact O-N 3.17Å; F375-L377 PolarHBondContact O-N 3.38Å; F375-L377 VanDerWaalsContact O-N 3.16Å; F375-F378 HydrophobicContact CB-CD2 4.09Å; F375-F378 AromaticContact CD1-CD2 3.95Å; F375-F378 HydrophobicContact CD1-CD2 3.95Å; F375-F378 AromaticContact CD1-CE2 3.71Å; F375-F378 HydrophobicContact CD1-CE2 3.71Å; F375-F378 HydrophobicContact CE1-CE2 4.37Å; F375-F378 HydrophobicContact CG-CD2 4.47Å; F375-F378 HydrophobicContact CG-CE2 4.46Å; F375-F378 PolarHBondContact O-N 3.47Å; F375-F378 VanDerWaalsContact O-N 3.12Å; F375-F409 HydrophobicContact CB-CD1 3.64Å; F375-F409 HydrophobicContact CB-CE1 3.93Å; F375-F409 HydrophobicContact CD2-CB 4.29Å; F375-F409 AromaticContact CD2-CD1 3.79Å; F375-F409 HydrophobicContact CD2-CD1 3.79Å; F375-F409 AromaticContact CG-CD1 3.75Å; F375-F409 HydrophobicContact CG-CD1 3.75Å; F375-F409 HydrophobicContact CG-CE1 4.31Å; F375-K410 HydrophobicContact CE2-CB 3.91Å; F375-K410 HydrophobicContact CZ-CB 4.14Å; F375-L413 HydrophobicContact CD1-CD1 3.59Å; F375-L413 HydrophobicContact CD2-CD1 4.48Å; F375-L413 HydrophobicContact CE1-CD1 3.49Å; F375-L413 VanDerWaalsContact CE1-CD1 3.49Å; F375-L413 HydrophobicContact CE2-CD1 4.4Å; F375-L413 HydrophobicContact CG-CD1 4.11Å; F375-L413 HydrophobicContact CZ-CD1 3.93Å; F375-V422 HydrophobicContact CD1-CG2 4.48Å; F375-V422 HydrophobicContact CE1-CG1 4.47Å; F375-V422 HydrophobicContact CE1-CG2 4.11Å
376S91.8Very high91.7Very high14 Ų1427.6 Ų27.610%0.09816%0.162CC..Hα-helixtrans-56.1-25.1169.259.10000112.5D373 D374 F378 Y379 Y380D373-S376 WeakPolarHBondContact O-CB 3.43Å; D373-S376 PolarHBondContact O-N 3Å; D373-S376 PolarHBondContact O-OG 2.58Å; D374-S376 PolarHBondContact O-N 3.28Å; S376-F378 VanDerWaalsContact C-N 3.33Å; S376-F378 PolarHBondContact O-N 2.71Å; S376-Y379 WeakPolarHBondContact O-CB 2.96Å; S376-Y379 PolarHBondContact O-N 3.06Å; S376-Y379 VanDerWaalsContact O-N 3.12Å; S376-Y380 WeakPolarHBondContact O-CD2 3.27Å; S376-Y380 PolarHBondContact O-N 3.43Å
377L87Confident91.2Very high24 Ų2432.7 Ų32.713%0.12618%0.181CC..Hα-helixtrans-60.5-39175.1-64.9176.6000112.9D374 F375 Y379 Y380 S381 Q477 R510D374-L377 WeakPolarHBondContact O-CB 3.17Å; D374-L377 WeakPolarHBondContact O-CG 3.49Å; D374-L377 PolarHBondContact O-N 3.45Å; F375-L377 PolarHBondContact O-N 3.38Å; F375-L377 VanDerWaalsContact O-N 3.16Å; L377-Y379 VanDerWaalsContact C-N 3.28Å; L377-Y379 PolarHBondContact O-N 2.82Å; L377-Y380 CarbonylContact O-C 3.5Å; L377-Y380 PolarHBondContact O-N 3.21Å; L377-Y380 VanDerWaalsContact O-N 3.16Å; L377-S381 PolarHBondContact O-N 2.97Å; L377-Q477 HydrophobicContact CD2-CG 4.43Å; L377-Q477 VanDerWaalsContact CD2-OE1 3.23Å; L377-R510 VanDerWaalsContact CD1-NH2 3.35Å
378F88.3Confident90.4Very high9 Ų936.7 Ų36.74%0.03922%0.222CC..Hα-helixtrans-66.3-33.3176.2-61.3-65.4000111.8W260 F375 S376 S381 A382 V422 P423 H475 M504W260-F378 HydrophobicContact CB-CB 4.31Å; W260-F378 HydrophobicContact CD2-CB 3.75Å; W260-F378 HydrophobicContact CD2-CG 4.43Å; W260-F378 HydrophobicContact CE3-CB 3.45Å; W260-F378 VanDerWaalsContact CE3-CB 3.45Å; W260-F378 HydrophobicContact CE3-CD2 4.3Å; W260-F378 HydrophobicContact CE3-CG 4.22Å; W260-F378 HydrophobicContact CG-CB 4.13Å; W260-F378 HydrophobicContact CH2-CD2 4.23Å; W260-F378 HydrophobicContact CZ3-CB 4.01Å; W260-F378 HydrophobicContact CZ3-CD2 4.01Å; W260-F378 HydrophobicContact CZ3-CG 4.39Å; F375-F378 HydrophobicContact CB-CD2 4.09Å; F375-F378 AromaticContact CD1-CD2 3.95Å; F375-F378 HydrophobicContact CD1-CD2 3.95Å; F375-F378 AromaticContact CD1-CE2 3.71Å; F375-F378 HydrophobicContact CD1-CE2 3.71Å; F375-F378 HydrophobicContact CE1-CE2 4.37Å; F375-F378 HydrophobicContact CG-CD2 4.47Å; F375-F378 HydrophobicContact CG-CE2 4.46Å; F375-F378 PolarHBondContact O-N 3.47Å; F375-F378 VanDerWaalsContact O-N 3.12Å; S376-F378 VanDerWaalsContact C-N 3.33Å; S376-F378 PolarHBondContact O-N 2.71Å; F378-S381 PolarHBondContact O-N 3.14Å; F378-A382 WeakPolarHBondContact O-CB 3.46Å; F378-A382 PolarHBondContact O-N 2.91Å; F378-V422 HydrophobicContact CD2-CG1 4.23Å; F378-V422 HydrophobicContact CE1-CG1 4.1Å; F378-V422 HydrophobicContact CE2-CG1 3.5Å; F378-V422 HydrophobicContact CZ-CG1 3.42Å; F378-V422 VanDerWaalsContact CZ-CG1 3.42Å; F378-P423 HydrophobicContact CD1-CB 4.25Å; F378-P423 HydrophobicContact CD1-CG 3.79Å; F378-P423 HydrophobicContact CE1-CB 4.41Å; F378-P423 HydrophobicContact CE1-CG 4.31Å; F378-P423 HydrophobicContact CG-CG 4.31Å; F378-H475 HydrophobicContact CD1-CB 3.74Å; F378-H475 HydrophobicContact CE1-CB 3.73Å; F378-M504 HydrophobicContact CE2-CE 3.9Å; F378-M504 HydrophobicContact CZ-CE 3.63Å
379Y92.1Very high90Very high0 Ų041.4 Ų41.40%024%0.242CC..Hα-helixtrans-63.8-45.8170.3161.8-94000112.1W260 L262 T364 R365 A368 S376 L377 S381 A382 R383 A386W260-Y379 WeakPolarHBondContact O-CA 3.5Å; W260-Y379 WeakPolarHBondContact O-CB 3.48Å; L262-Y379 HydrophobicContact CB-CD2 4.16Å; L262-Y379 HydrophobicContact CB-CE2 4.27Å; L262-Y379 HydrophobicContact CD1-CD2 3.73Å; L262-Y379 HydrophobicContact CD1-CE2 3.94Å; L262-Y379 HydrophobicContact CD1-CG 4.34Å; L262-Y379 HydrophobicContact CG-CD2 3.72Å; L262-Y379 HydrophobicContact CG-CE2 4.2Å; T364-Y379 PolarHBondContact OG1-OH 3.46Å; R365-Y379 HydrophobicContact CG-CE1 3.83Å; R365-Y379 WeakPolarHBondContact CG-OH 3.45Å; A368-Y379 HydrophobicContact CB-CD1 3.95Å; A368-Y379 HydrophobicContact CB-CE1 4.42Å; A368-Y379 HydrophobicContact CB-CG 4.25Å; S376-Y379 WeakPolarHBondContact O-CB 2.96Å; S376-Y379 PolarHBondContact O-N 3.06Å; S376-Y379 VanDerWaalsContact O-N 3.12Å; L377-Y379 VanDerWaalsContact C-N 3.28Å; L377-Y379 PolarHBondContact O-N 2.82Å; Y379-S381 VanDerWaalsContact C-N 3.25Å; Y379-S381 PolarHBondContact O-N 2.73Å; Y379-A382 PolarHBondContact O-N 2.86Å; Y379-R383 HydrophobicContact CE2-CB 4.35Å; Y379-R383 PolarHBondContact O-N 2.91Å; Y379-A386 HydrophobicContact CE1-CB 3.74Å
380Y87.5Confident89.8Confident17 Ų1743.3 Ų43.37%0.06726%0.263CS..Hα-helixtrans-65.5-30.3176.2-70-56.5000113.1R365 E369 S376 L377 R383 P384 A386 R387R365-Y380 HydrophobicContact CG-CE1 4.14Å; R365-Y380 PolarHBondContact NE-OH 2.74Å; R365-Y380 PolarHBondContact NH2-OH 2.82Å; R365-Y380 VanDerWaalsContact NH2-OH 3.13Å; E369-Y380 PolarHBondContact OE1-OH 3.27Å; S376-Y380 WeakPolarHBondContact O-CD2 3.27Å; S376-Y380 PolarHBondContact O-N 3.43Å; L377-Y380 CarbonylContact O-C 3.5Å; L377-Y380 PolarHBondContact O-N 3.21Å; L377-Y380 VanDerWaalsContact O-N 3.16Å; Y380-R383 CarbonylContact O-C 3.49Å; Y380-R383 VanDerWaalsContact O-C 3.29Å; Y380-P384 VanDerWaalsContact O-CA 3.26Å; Y380-P384 WeakPolarHBondContact O-CA 3.41Å; Y380-A386 HydrophobicContact CD1-CB 3.98Å; Y380-A386 HydrophobicContact CE1-CB 3.98Å; Y380-R387 HydrophobicContact CD1-CG 3.93Å; Y380-R387 HydrophobicContact CG-CG 4.25Å; Y380-R387 VanDerWaalsContact O-CZ 3.25Å; Y380-R387 PolarHBondContact O-NH1 3.38Å; Y380-R387 PolarHBondContact O-NH2 3.11Å
381S84.1Confident89.6Confident34 Ų3445.9 Ų45.924%0.23827%0.273CS..Hα-helixtrans-71.7-43.2173.4-165.50000112.4L377 F378 Y379 R383 P384 H475L377-S381 PolarHBondContact O-N 2.97Å; F378-S381 PolarHBondContact O-N 3.14Å; Y379-S381 VanDerWaalsContact C-N 3.25Å; Y379-S381 PolarHBondContact O-N 2.73Å; S381-R383 VanDerWaalsContact C-N 3.28Å; S381-R383 PolarHBondContact O-N 3.12Å; S381-P384 WeakPolarHBondContact O-CD 3.34Å; S381-H475 PolarHBondContact OG-ND1 2.91Å
382A85.6Confident89.5Confident53 Ų5347.7 Ų47.744%0.43829%0.292SS..Hα-helixtrans-72.1-24177.900000112.5W260 F378 Y379W260-A382 HydrophobicContact CB-CB 4.05Å; F378-A382 WeakPolarHBondContact O-CB 3.46Å; F378-A382 PolarHBondContact O-N 2.91Å; Y379-A382 PolarHBondContact O-N 2.86Å
383R87.3Confident89.5Confident56 Ų5652 Ų5221%0.21132%0.315CS..  trans-134.171.9178.8-160.6-179.6-73.1-112.2-0.9111.6S261 Y379 Y380 S381 A385 A386S261-R383 PolarHBondContact O-NE 3.32Å; S261-R383 VanDerWaalsContact O-NE 3.12Å; S261-R383 PolarHBondContact O-NH2 2.88Å; Y379-R383 HydrophobicContact CE2-CB 4.35Å; Y379-R383 PolarHBondContact O-N 2.91Å; Y380-R383 CarbonylContact O-C 3.49Å; Y380-R383 VanDerWaalsContact O-C 3.29Å; S381-R383 VanDerWaalsContact C-N 3.28Å; S381-R383 PolarHBondContact O-N 3.12Å; R383-A385 PolarHBondContact O-N 3.34Å; R383-A385 VanDerWaalsContact O-N 3.1Å; R383-A386 HydrophobicContact CG-CB 4.42Å; R383-A386 VanDerWaalsContact O-CB 3.22Å; R383-A386 WeakPolarHBondContact O-CB 3.34Å; R383-A386 PolarHBondContact O-N 3.23Å
384P83.8Confident89.6Confident74 Ų7450.7 Ų50.748%0.48131%0.308SS..G310 helixtrans-57-32.1-176.1-27.536.7000114.3Y380 S381 A386 R387Y380-P384 VanDerWaalsContact O-CA 3.26Å; Y380-P384 WeakPolarHBondContact O-CA 3.41Å; S381-P384 WeakPolarHBondContact O-CD 3.34Å; P384-A386 PolarHBondContact O-N 2.95Å; P384-R387 WeakPolarHBondContact O-CB 3.48Å; P384-R387 PolarHBondContact O-N 3.33Å
385A87.1Confident90Very high65 Ų6555.4 Ų55.454%0.53732%0.32SS..G310 helixtrans-60.7-15.4176.400000114I361 R383 K389I361-A385 HydrophobicContact CD1-CB 4.32Å; R383-A385 PolarHBondContact O-N 3.34Å; R383-A385 VanDerWaalsContact O-N 3.1Å; A385-K389 WeakPolarHBondContact O-CG 3.08Å
386A90.5Very high90.4Very high0 Ų055.3 Ų55.30%033%0.331CS..G310 helixtrans-74-27.4173.600000112.3I361 R365 Y379 Y380 R383 P384 K389I361-A386 HydrophobicContact CG2-CB 3.85Å; R365-A386 VanDerWaalsContact CD-O 3.27Å; R365-A386 WeakPolarHBondContact CD-O 3.35Å; R365-A386 HydrophobicContact CG-CB 4.1Å; R365-A386 PolarHBondContact NE-O 3.23Å; R365-A386 PolarHBondContact NH1-O 2.64Å; Y379-A386 HydrophobicContact CE1-CB 3.74Å; Y380-A386 HydrophobicContact CD1-CB 3.98Å; Y380-A386 HydrophobicContact CE1-CB 3.98Å; R383-A386 HydrophobicContact CG-CB 4.42Å; R383-A386 VanDerWaalsContact O-CB 3.22Å; R383-A386 WeakPolarHBondContact O-CB 3.34Å; R383-A386 PolarHBondContact O-N 3.23Å; P384-A386 PolarHBondContact O-N 2.95Å; A386-K389 PolarHBondContact O-N 3.41Å
387R86.8Confident90.7Very high112 Ų11257 Ų5742%0.42334%0.335SS..THydrogen-bonded Turntrans-60.8137.8-178.8-64.6-177.5178.3119.6-0.3110.8Y380 P384 K389Y380-R387 HydrophobicContact CD1-CG 3.93Å; Y380-R387 HydrophobicContact CG-CG 4.25Å; Y380-R387 VanDerWaalsContact O-CZ 3.25Å; Y380-R387 PolarHBondContact O-NH1 3.38Å; Y380-R387 PolarHBondContact O-NH2 3.11Å; P384-R387 WeakPolarHBondContact O-CB 3.48Å; P384-R387 PolarHBondContact O-N 3.33Å; R387-K389 PolarHBondContact O-N 3.17Å; R387-K389 VanDerWaalsContact O-N 3.11Å
388G83Confident91.2Very high84 Ų8458.1 Ų58.187%0.86634%0.343SS*.THydrogen-bonded Turntrans73.4-9.4178.600000116.4
389K89.4Confident91.7Very high99 Ų9963.7 Ų63.743%0.4337%0.369SS..  trans-68.4146.7174.2-65-68.2-175.41740112.2I361 R365 A385 A386 R387I361-K389 HydrophobicContact CG2-CB 4.23Å; I361-K389 HydrophobicContact CG2-CG 4.24Å; R365-K389 PolarHBondContact NH1-O 3.35Å; A385-K389 WeakPolarHBondContact O-CG 3.08Å; A386-K389 PolarHBondContact O-N 3.41Å; R387-K389 PolarHBondContact O-N 3.17Å; R387-K389 VanDerWaalsContact O-N 3.11Å
390S92.3Very high92Very high104 Ų10464.7 Ų64.773%0.72737%0.374SS*.  trans-74.9139.9172.6-175.10000110.4
391Y94.6Very high92.5Very high56 Ų5665.7 Ų65.722%0.2238%0.378CS..  trans-124.26173.657.9-92.4000113R365 R366 E369 I394R365-Y391 HydrophobicContact CB-CD1 4.36Å; R365-Y391 HydrophobicContact CB-CG 4.22Å; R366-Y391 WeakPolarHBondContact CD-O 3.44Å; R366-Y391 HydrophobicContact CG-CD2 4.38Å; R366-Y391 VanDerWaalsContact CG-O 3.3Å; R366-Y391 WeakPolarHBondContact CG-O 3.36Å; R366-Y391 PolarHBondContact NH1-O 2.77Å; E369-Y391 HydrophobicContact CB-CE2 4.39Å; E369-Y391 HydrophobicContact CG-CE1 4.2Å; E369-Y391 HydrophobicContact CG-CE2 4.04Å; Y391-I394 HydrophobicContact CD2-CG2 3.83Å; Y391-I394 HydrophobicContact CE2-CD1 3.96Å; Y391-I394 HydrophobicContact CE2-CG1 4.15Å; Y391-I394 HydrophobicContact CE2-CG2 3.9Å
392G95.5Very high93.2Very high40 Ų4071.3 Ų71.341%0.41240%0.398SS..  trans71-175.8-179.100000114.1
393D97.1Very high93.8Very high90 Ų9077.2 Ų77.248%0.48141%0.414SS..  trans-72.4134.5-179.1-17415.4000111.9R366 R395R366-D393 PolarHBondContact NH1-O 3.14Å; R366-D393 PolarHBondContact NH2-O 2.85Å; D393-R395 WeakPolarHBondContact OD1-CB 3.41Å; D393-R395 VanDerWaalsContact OD1-CG 3.23Å; D393-R395 WeakPolarHBondContact OD1-CG 3.33Å; D393-R395 IonicContact OD1-CZ 3.97Å; D393-R395 PolarHBondContact OD1-N 3.45Å; D393-R395 IonicContact OD1-NE 3.02Å; D393-R395 PolarHBondContact OD1-NE 3.19Å; D393-R395 IonicContact OD2-CZ 3.31Å; D393-R395 VanDerWaalsContact OD2-CZ 3.31Å; D393-R395 IonicContact OD2-NE 3Å; D393-R395 PolarHBondContact OD2-NE 3.43Å; D393-R395 IonicContact OD2-NH2 2.75Å; D393-R395 PolarHBondContact OD2-NH2 2.72Å
394I98.1Very high94.4Very high24 Ų2475.9 Ų75.912%0.12341%0.411CS..  trans-119.81.5178.560.6167.4000113.2R366 E369 V370 Y391 G396 R397 V398R366-I394 HydrophobicContact CB-CG2 4.46Å; R366-I394 HydrophobicContact CG-CG2 4.29Å; E369-I394 HydrophobicContact CB-CD1 3.66Å; V370-I394 HydrophobicContact CG2-CB 3.87Å; V370-I394 HydrophobicContact CG2-CD1 4.01Å; V370-I394 HydrophobicContact CG2-CG1 4.49Å; V370-I394 HydrophobicContact CG2-CG2 4.19Å; Y391-I394 HydrophobicContact CD2-CG2 3.83Å; Y391-I394 HydrophobicContact CE2-CD1 3.96Å; Y391-I394 HydrophobicContact CE2-CG1 4.15Å; Y391-I394 HydrophobicContact CE2-CG2 3.9Å; I394-G396 VanDerWaalsContact C-N 3.31Å; I394-G396 PolarHBondContact O-N 3.34Å; I394-R397 WeakPolarHBondContact O-CA 3.21Å; I394-R397 PolarHBondContact O-N 3.16Å; I394-V398 HydrophobicContact CD1-CG2 4.16Å; I394-V398 HydrophobicContact CG1-CG2 4.28Å; I394-V398 PolarHBondContact O-N 3.44Å
395R98Very high95.1Very high168 Ų16881.1 Ų81.163%0.63443%0.426SS*.Hα-helixtrans-52.2-46.9-175.3-73.6175.5-63.2170.14.5112.7D393 R397 V398 E399D393-R395 WeakPolarHBondContact OD1-CB 3.41Å; D393-R395 VanDerWaalsContact OD1-CG 3.23Å; D393-R395 WeakPolarHBondContact OD1-CG 3.33Å; D393-R395 IonicContact OD1-CZ 3.97Å; D393-R395 PolarHBondContact OD1-N 3.45Å; D393-R395 IonicContact OD1-NE 3.02Å; D393-R395 PolarHBondContact OD1-NE 3.19Å; D393-R395 IonicContact OD2-CZ 3.31Å; D393-R395 VanDerWaalsContact OD2-CZ 3.31Å; D393-R395 IonicContact OD2-NE 3Å; D393-R395 PolarHBondContact OD2-NE 3.43Å; D393-R395 IonicContact OD2-NH2 2.75Å; D393-R395 PolarHBondContact OD2-NH2 2.72Å; R395-R397 PolarHBondContact O-N 2.94Å; R395-R397 VanDerWaalsContact O-N 3.17Å; R395-V398 PolarHBondContact O-N 2.83Å; R395-V398 VanDerWaalsContact O-N 3.16Å; R395-E399 WeakPolarHBondContact O-CB 3.14Å; R395-E399 WeakPolarHBondContact O-CG 3.43Å; R395-E399 PolarHBondContact O-N 3.33Å
396G98Very high95.6Very high39 Ų3979.1 Ų79.140%0.40241%0.408SS..Hα-helixtrans-66.5-15.4178.800000115.1I394 L400I394-G396 VanDerWaalsContact C-N 3.31Å; I394-G396 PolarHBondContact O-N 3.34Å; G396-L400 WeakPolarHBondContact O-CB 3.38Å
397R98.5Very high96Very high49 Ų4984.7 Ų84.719%0.18543%0.432CS..Hα-helixtrans-89.8-38.4171.3-60.4-62.572.4174.60.2111.6G305 D308 V370 I394 R395 L400 R401G305-R397 PolarHBondContact O-NH1 3.08Å; D308-R397 HydrophobicContact CB-CG 4.4Å; V370-R397 HydrophobicContact CG1-CB 3.94Å; V370-R397 HydrophobicContact CG2-CB 3.84Å; I394-R397 WeakPolarHBondContact O-CA 3.21Å; I394-R397 PolarHBondContact O-N 3.16Å; R395-R397 PolarHBondContact O-N 2.94Å; R395-R397 VanDerWaalsContact O-N 3.17Å; R397-L400 VanDerWaalsContact CZ-CD2 3.49Å; R397-L400 WeakPolarHBondContact O-CB 3.22Å; R397-L400 PolarHBondContact O-N 3.38Å; R397-R401 PolarHBondContact O-N 3.2Å
398V98.3Very high96.6Very high47 Ų4782 Ų8229%0.28543%0.43SS..Hα-helixtrans-61.9-44.3172175.70000111.2V370 I394 R395 R401 K402V370-V398 HydrophobicContact CG2-CG2 4.32Å; I394-V398 HydrophobicContact CD1-CG2 4.16Å; I394-V398 HydrophobicContact CG1-CG2 4.28Å; I394-V398 PolarHBondContact O-N 3.44Å; R395-V398 PolarHBondContact O-N 2.83Å; R395-V398 VanDerWaalsContact O-N 3.16Å; V398-R401 PolarHBondContact O-N 2.69Å; V398-K402 WeakPolarHBondContact O-CG 3.4Å; V398-K402 PolarHBondContact O-N 3.11Å
399E98.5Very high97.3Very high127 Ų12778 Ų7859%0.59339%0.389SS*.Hα-helixtrans-63.4-40.4175.7-74.1172.3-178.100112.3R395 K402 K403R395-E399 WeakPolarHBondContact O-CB 3.14Å; R395-E399 WeakPolarHBondContact O-CG 3.43Å; R395-E399 PolarHBondContact O-N 3.33Å; E399-K402 PolarHBondContact O-N 2.88Å; E399-K403 WeakPolarHBondContact O-CB 3.42Å; E399-K403 PolarHBondContact O-N 2.91Å
400L98.6Very high97.6Very high21 Ų2178.4 Ų78.411%0.1139%0.391CS..Hα-helixtrans-60-48.1174.2175.767.4000111.1L304 G396 R397 K402 K403 L404L304-L400 WeakPolarHBondContact O-CD2 3.44Å; G396-L400 WeakPolarHBondContact O-CB 3.38Å; R397-L400 VanDerWaalsContact CZ-CD2 3.49Å; R397-L400 WeakPolarHBondContact O-CB 3.22Å; R397-L400 PolarHBondContact O-N 3.38Å; L400-K402 VanDerWaalsContact C-N 3.29Å; L400-K402 PolarHBondContact O-N 2.95Å; L400-K403 PolarHBondContact O-N 3.01Å; L400-L404 HydrophobicContact CD1-CD1 3.78Å; L400-L404 HydrophobicContact CD1-CG 3.99Å; L400-L404 HydrophobicContact CG-CD1 3.93Å; L400-L404 HydrophobicContact CG-CG 4.43Å; L400-L404 WeakPolarHBondContact O-CB 3.05Å; L400-L404 WeakPolarHBondContact O-CG 3.35Å; L400-L404 PolarHBondContact O-N 3.14Å
401R98.6Very high97.8Very high38 Ų3877.1 Ų77.114%0.14337%0.37CS..Hα-helixtrans-57.3-42.5177.4-174.9176.5180-150.5-4.7111.7V370 W371 D373 R397 V398 K405 C406 K407V370-R401 VanDerWaalsContact O-CD 3.23Å; V370-R401 WeakPolarHBondContact O-CD 3.25Å; V370-R401 PolarHBondContact O-NH1 3.15Å; W371-R401 HydrophobicContact CE3-CG 4.27Å; W371-R401 HydrophobicContact CH2-CB 4.02Å; W371-R401 HydrophobicContact CH2-CG 4.06Å; W371-R401 HydrophobicContact CZ3-CB 4.2Å; W371-R401 HydrophobicContact CZ3-CG 3.71Å; D373-R401 IonicContact OD1-CZ 3.03Å; D373-R401 IonicContact OD1-NH1 2.8Å; D373-R401 PolarHBondContact OD1-NH1 3.23Å; D373-R401 IonicContact OD1-NH2 2.59Å; D373-R401 PolarHBondContact OD1-NH2 2.97Å; D373-R401 IonicContact OD2-NH2 3.18Å; D373-R401 PolarHBondContact OD2-NH2 3.46Å; R397-R401 PolarHBondContact O-N 3.2Å; V398-R401 PolarHBondContact O-N 2.69Å; R401-K405 PolarHBondContact O-N 3.18Å; R401-C406 HydrophobicContact CG-CB 3.91Å; R401-C406 PolarHBondContact O-N 2.85Å; R401-C406 PolarHBondContact O-SG 2.9Å; R401-C406 VanDerWaalsContact O-SG 3.42Å; R401-K407 PolarHBondContact NH2-O 3.18Å
402K98.3Very high98Very high152 Ų15274.4 Ų74.466%0.66136%0.36SS*.Hα-helixtrans-63.8-47.6174.5-70.8176.2-179.3179.60112V398 E399 L400 L404 K405V398-K402 WeakPolarHBondContact O-CG 3.4Å; V398-K402 PolarHBondContact O-N 3.11Å; E399-K402 PolarHBondContact O-N 2.88Å; L400-K402 VanDerWaalsContact C-N 3.29Å; L400-K402 PolarHBondContact O-N 2.95Å; K402-L404 VanDerWaalsContact C-N 3.31Å; K402-L404 PolarHBondContact O-N 2.84Å; K402-K405 PolarHBondContact O-N 3.46Å
403K98.4Very high98.1Very high176 Ų17672.9 Ų72.977%0.76534%0.342SS*.Hα-helixtrans-59.2-41.3-179.7-179.1180177.4-179.70112.1E399 L400 K405E399-K403 WeakPolarHBondContact O-CB 3.42Å; E399-K403 PolarHBondContact O-N 2.91Å; L400-K403 PolarHBondContact O-N 3.01Å; K403-K405 PolarHBondContact O-N 3.46Å
404L98.4Very high98.1Very high29 Ų2972.7 Ų72.715%0.15234%0.341CS..THydrogen-bonded Turntrans-78.5-4.5178.8-66.8178.1000113.5H303 L304 C328 L400 K402 C406H303-L404 VanDerWaalsContact NE2-CD2 3.29Å; H303-L404 WeakPolarHBondContact NE2-CD2 3.24Å; L304-L404 HydrophobicContact CD2-CD1 4.07Å; C328-L404 HydrophobicContact CB-CB 4.37Å; C328-L404 HydrophobicContact CB-CD1 4.32Å; L400-L404 HydrophobicContact CD1-CD1 3.78Å; L400-L404 HydrophobicContact CD1-CG 3.99Å; L400-L404 HydrophobicContact CG-CD1 3.93Å; L400-L404 HydrophobicContact CG-CG 4.43Å; L400-L404 WeakPolarHBondContact O-CB 3.05Å; L400-L404 WeakPolarHBondContact O-CG 3.35Å; L400-L404 PolarHBondContact O-N 3.14Å; K402-L404 VanDerWaalsContact C-N 3.31Å; K402-L404 PolarHBondContact O-N 2.84Å; L404-C406 WeakPolarHBondContact CB-SG 3.46Å; L404-C406 PolarHBondContact O-N 3.46Å
405K98.4Very high98Very high183 Ų18376.4 Ų76.480%0.79636%0.361SS*.THydrogen-bonded Turntrans52.942.5-178.5-57.3179.8-179.8179.40112.5R401 K402 K403R401-K405 PolarHBondContact O-N 3.18Å; K402-K405 PolarHBondContact O-N 3.46Å; K403-K405 PolarHBondContact O-N 3.46Å
406C98.7Very high98Very high23 Ų2369.2 Ų69.216%0.15534%0.335CS..PPolyproline II helixtrans-66.1150.4-176.7-47.40000111.5Q327 C328 W371 R401 L404Q327-C406 HydrophobicContact CB-CB 4.11Å; Q327-C406 CarbonylContact O-C 3.5Å; Q327-C406 VanDerWaalsContact O-CA 3.25Å; Q327-C406 WeakPolarHBondContact O-CA 3.44Å; Q327-C406 WeakPolarHBondContact O-CB 3.47Å; C328-C406 HydrophobicContact CB-CB 4.05Å; C328-C406 WeakPolarHBondContact CB-SG 3.46Å; C328-C406 WeakPolarHBondContact SG-CB 3.13Å; C328-C406 CovalentContact SG-SG 2.04Å; C328-C406 PolarHBondContact SG-SG 2.79Å; W371-C406 HydrophobicContact CZ3-CB 4.3Å; R401-C406 HydrophobicContact CG-CB 3.91Å; R401-C406 PolarHBondContact O-N 2.85Å; R401-C406 PolarHBondContact O-SG 2.9Å; R401-C406 VanDerWaalsContact O-SG 3.42Å; L404-C406 WeakPolarHBondContact CB-SG 3.46Å; L404-C406 PolarHBondContact O-N 3.46Å
407K98.7Very high98Very high118 Ų11867.4 Ų67.451%0.51332%0.316SS..PPolyproline II helixtrans-67.2165.1174.2-56.9-62.6-175.2-179.70111.3Q327 R401 W411Q327-K407 PolarHBondContact O-N 3.17Å; Q327-K407 PolarHBondContact OE1-O 2.92Å; R401-K407 PolarHBondContact NH2-O 3.18Å; K407-W411 HydrophobicContact CB-CB 3.99Å; K407-W411 HydrophobicContact CB-CD2 3.63Å; K407-W411 HydrophobicContact CB-CE3 3.55Å; K407-W411 HydrophobicContact CB-CG 3.82Å; K407-W411 HydrophobicContact CB-CZ3 4.32Å; K407-W411 HydrophobicContact CG-CD2 3.75Å; K407-W411 HydrophobicContact CG-CE3 3.9Å; K407-W411 HydrophobicContact CG-CG 4.11Å; K407-W411 HydrophobicContact CG-CZ3 4.36Å
408S98.2Very high97.7Very high54 Ų5469.1 Ų69.138%0.37833%0.334SS..PPolyproline II helixtrans-74.3162.6175.461.30000112D373 K410 W411 Y412D373-S408 WeakPolarHBondContact OD2-CA 3.47Å; D373-S408 WeakPolarHBondContact OD2-CB 3.44Å; S408-K410 PolarHBondContact O-N 2.93Å; S408-W411 WeakPolarHBondContact O-CB 3.19Å; S408-W411 PolarHBondContact O-N 3.22Å; S408-W411 PolarHBondContact OG-N 3.46Å; S408-Y412 PolarHBondContact O-N 3.32Å
409F98.1Very high97.5Very high0 Ų070.3 Ų70.30%034%0.336CS..Hα-helixtrans-65.9-30.8172-163.2-108.5000112F258 W260 F323 W371 M372 D373 F375 W411 Y412 L413F258-F409 HydrophobicContact CZ-CZ 4.27Å; W260-F409 HydrophobicContact CH2-CE1 4.21Å; W260-F409 HydrophobicContact CZ3-CE1 4.06Å; F323-F409 HydrophobicContact CD1-CE2 4.16Å; F323-F409 HydrophobicContact CD2-CE2 4.13Å; F323-F409 AromaticContact CE1-CE2 4Å; F323-F409 HydrophobicContact CE1-CE2 4Å; F323-F409 HydrophobicContact CE1-CZ 4.48Å; F323-F409 AromaticContact CE2-CE2 3.96Å; F323-F409 HydrophobicContact CE2-CE2 3.96Å; F323-F409 HydrophobicContact CE2-CZ 4.46Å; F323-F409 HydrophobicContact CG-CE2 4.23Å; F323-F409 AromaticContact CZ-CE2 3.9Å; F323-F409 HydrophobicContact CZ-CE2 3.9Å; F323-F409 HydrophobicContact CZ-CZ 4.18Å; W371-F409 WeakPolarHBondContact O-CB 3.33Å; W371-F409 WeakPolarHBondContact O-CD2 3.43Å; M372-F409 HydrophobicContact CB-CD1 4.32Å; M372-F409 HydrophobicContact CB-CD2 4.39Å; M372-F409 HydrophobicContact CB-CE1 4.44Å; M372-F409 HydrophobicContact CB-CG 4.28Å; M372-F409 HydrophobicContact CE-CE1 4.18Å; M372-F409 HydrophobicContact CE-CZ 4.16Å; M372-F409 HydrophobicContact CG-CD2 4.13Å; M372-F409 HydrophobicContact CG-CE1 4.28Å; M372-F409 HydrophobicContact CG-CE2 3.85Å; M372-F409 HydrophobicContact CG-CG 4.47Å; M372-F409 HydrophobicContact CG-CZ 3.92Å; D373-F409 HydrophobicContact CB-CB 4.42Å; D373-F409 PolarHBondContact OD2-N 3.48Å; F375-F409 HydrophobicContact CB-CD1 3.64Å; F375-F409 HydrophobicContact CB-CE1 3.93Å; F375-F409 HydrophobicContact CD2-CB 4.29Å; F375-F409 AromaticContact CD2-CD1 3.79Å; F375-F409 HydrophobicContact CD2-CD1 3.79Å; F375-F409 AromaticContact CG-CD1 3.75Å; F375-F409 HydrophobicContact CG-CD1 3.75Å; F375-F409 HydrophobicContact CG-CE1 4.31Å; F409-W411 VanDerWaalsContact C-N 3.32Å; F409-W411 PolarHBondContact O-N 2.88Å; F409-Y412 HydrophobicContact CD2-CD1 4.14Å; F409-Y412 HydrophobicContact CD2-CG 4.44Å; F409-Y412 AromaticContact CE2-CD1 3.75Å; F409-Y412 HydrophobicContact CE2-CD1 3.75Å; F409-Y412 HydrophobicContact CE2-CE1 4.15Å; F409-Y412 HydrophobicContact CE2-CG 4.39Å; F409-Y412 HydrophobicContact CZ-CD1 4.13Å; F409-Y412 HydrophobicContact CZ-CE1 4.38Å; F409-Y412 WeakPolarHBondContact O-CA 3.15Å; F409-Y412 WeakPolarHBondContact O-CB 3.49Å; F409-Y412 PolarHBondContact O-N 3.36Å; F409-Y412 VanDerWaalsContact O-N 3.11Å; F409-L413 HydrophobicContact CD1-CD1 3.86Å; F409-L413 HydrophobicContact CD1-CG 4.03Å; F409-L413 HydrophobicContact CE1-CD1 3.87Å; F409-L413 HydrophobicContact CE1-CD2 3.91Å; F409-L413 HydrophobicContact CE1-CG 3.89Å; F409-L413 HydrophobicContact CZ-CD2 4.31Å; F409-L413 WeakPolarHBondContact O-CG 3.43Å; F409-L413 PolarHBondContact O-N 3.17Å
410K95.9Very high97.2Very high108 Ų10865 Ų6547%0.4731%0.312SS..Hα-helixtrans-56.9-46.6170176.3163.1175.145.20111.5F375 S408 Y412 L413 D414F375-K410 HydrophobicContact CE2-CB 3.91Å; F375-K410 HydrophobicContact CZ-CB 4.14Å; S408-K410 PolarHBondContact O-N 2.93Å; K410-Y412 VanDerWaalsContact C-N 3.27Å; K410-Y412 PolarHBondContact O-N 2.7Å; K410-L413 PolarHBondContact O-N 2.73Å; K410-D414 WeakPolarHBondContact CE-OD2 3.38Å; K410-D414 WeakPolarHBondContact CG-OD2 3.15Å; K410-D414 IonicContact NZ-OD1 2.74Å; K410-D414 PolarHBondContact NZ-OD1 3.48Å; K410-D414 IonicContact NZ-OD2 3.58Å; K410-D414 PolarHBondContact NZ-OD2 3.08Å; K410-D414 WeakPolarHBondContact O-CB 3.29Å; K410-D414 PolarHBondContact O-N 3.02Å
411W98Very high96.7Very high77 Ų7772.7 Ų72.729%0.29235%0.345SS..Hα-helixtrans-59.7-40.5175.5174.490.2000111.4W326 K407 S408 F409 D414 N415 V416W326-W411 WeakPolarHBondContact O-CZ3 3.32Å; K407-W411 HydrophobicContact CB-CB 3.99Å; K407-W411 HydrophobicContact CB-CD2 3.63Å; K407-W411 HydrophobicContact CB-CE3 3.55Å; K407-W411 HydrophobicContact CB-CG 3.82Å; K407-W411 HydrophobicContact CB-CZ3 4.32Å; K407-W411 HydrophobicContact CG-CD2 3.75Å; K407-W411 HydrophobicContact CG-CE3 3.9Å; K407-W411 HydrophobicContact CG-CG 4.11Å; K407-W411 HydrophobicContact CG-CZ3 4.36Å; S408-W411 WeakPolarHBondContact O-CB 3.19Å; S408-W411 PolarHBondContact O-N 3.22Å; S408-W411 PolarHBondContact OG-N 3.46Å; F409-W411 VanDerWaalsContact C-N 3.32Å; F409-W411 PolarHBondContact O-N 2.88Å; W411-D414 PolarHBondContact O-N 3.34Å; W411-N415 HydrophobicContact CD2-CB 4.38Å; W411-N415 HydrophobicContact CZ2-CB 4.13Å; W411-N415 PolarHBondContact NE1-ND2 3.3Å; W411-N415 VanDerWaalsContact O-CB 3.28Å; W411-N415 WeakPolarHBondContact O-CB 3.49Å; W411-N415 PolarHBondContact O-N 3.09Å; W411-N415 PolarHBondContact O-ND2 2.98Å; W411-V416 HydrophobicContact CH2-CG2 4.12Å; W411-V416 HydrophobicContact CZ3-CG2 3.95Å
412Y98.6Very high96Very high0 Ų073.7 Ų73.70%036%0.355CS..Hα-helixtrans-60-47175.9171.8-86.9000111.8F258 P287 F323 W326 S408 F409 K410 V416 Y417F258-Y412 HydrophobicContact CE1-CE1 4.18Å; F258-Y412 HydrophobicContact CZ-CE1 4.22Å; P287-Y412 WeakPolarHBondContact CB-OH 3.22Å; P287-Y412 PolarHBondContact O-OH 3.12Å; F323-Y412 HydrophobicContact CD1-CE1 4.24Å; F323-Y412 HydrophobicContact CD1-CE2 4.07Å; F323-Y412 AromaticContact CD1-CZ 3.86Å; F323-Y412 HydrophobicContact CE1-CE1 4.05Å; F323-Y412 AromaticContact CE1-CZ 3.9Å; W326-Y412 HydrophobicContact CB-CD2 3.77Å; W326-Y412 HydrophobicContact CB-CE2 3.94Å; W326-Y412 AromaticContact CD1-CE2 3.76Å; W326-Y412 HydrophobicContact CG-CD2 4.26Å; W326-Y412 HydrophobicContact CG-CE2 4Å; S408-Y412 PolarHBondContact O-N 3.32Å; F409-Y412 HydrophobicContact CD2-CD1 4.14Å; F409-Y412 HydrophobicContact CD2-CG 4.44Å; F409-Y412 AromaticContact CE2-CD1 3.75Å; F409-Y412 HydrophobicContact CE2-CD1 3.75Å; F409-Y412 HydrophobicContact CE2-CE1 4.15Å; F409-Y412 HydrophobicContact CE2-CG 4.39Å; F409-Y412 HydrophobicContact CZ-CD1 4.13Å; F409-Y412 HydrophobicContact CZ-CE1 4.38Å; F409-Y412 WeakPolarHBondContact O-CA 3.15Å; F409-Y412 WeakPolarHBondContact O-CB 3.49Å; F409-Y412 PolarHBondContact O-N 3.36Å; F409-Y412 VanDerWaalsContact O-N 3.11Å; K410-Y412 VanDerWaalsContact C-N 3.27Å; K410-Y412 PolarHBondContact O-N 2.7Å; Y412-V416 HydrophobicContact CD2-CB 3.83Å; Y412-V416 HydrophobicContact CD2-CG1 4.04Å; Y412-V416 HydrophobicContact CD2-CG2 4.01Å; Y412-V416 HydrophobicContact CE2-CB 3.92Å; Y412-V416 HydrophobicContact CE2-CG1 3.62Å; Y412-V416 HydrophobicContact CE2-CG2 4.43Å; Y412-V416 HydrophobicContact CG-CB 4.32Å; Y412-V416 WeakPolarHBondContact O-CA 3.48Å; Y412-V416 VanDerWaalsContact O-CB 3.22Å; Y412-V416 WeakPolarHBondContact O-CB 3.24Å; Y412-V416 PolarHBondContact O-N 3.27Å; Y412-Y417 PolarHBondContact O-N 3.29Å
413L96.9Very high95Very high7 Ų768.5 Ų68.54%0.03734%0.337CS..Hα-helixtrans-62.2-46.3176.4-65.3171.8000111.3W260 F375 F409 K410 N415 Y417 P418 L420 V422W260-L413 HydrophobicContact CH2-CD1 3.97Å; W260-L413 HydrophobicContact CH2-CD2 4.2Å; F375-L413 HydrophobicContact CD1-CD1 3.59Å; F375-L413 HydrophobicContact CD2-CD1 4.48Å; F375-L413 HydrophobicContact CE1-CD1 3.49Å; F375-L413 VanDerWaalsContact CE1-CD1 3.49Å; F375-L413 HydrophobicContact CE2-CD1 4.4Å; F375-L413 HydrophobicContact CG-CD1 4.11Å; F375-L413 HydrophobicContact CZ-CD1 3.93Å; F409-L413 HydrophobicContact CD1-CD1 3.86Å; F409-L413 HydrophobicContact CD1-CG 4.03Å; F409-L413 HydrophobicContact CE1-CD1 3.87Å; F409-L413 HydrophobicContact CE1-CD2 3.91Å; F409-L413 HydrophobicContact CE1-CG 3.89Å; F409-L413 HydrophobicContact CZ-CD2 4.31Å; F409-L413 WeakPolarHBondContact O-CG 3.43Å; F409-L413 PolarHBondContact O-N 3.17Å; K410-L413 PolarHBondContact O-N 2.73Å; L413-N415 PolarHBondContact O-N 3.29Å; L413-Y417 CarbonylContact O-C 3.45Å; L413-P418 WeakPolarHBondContact O-CA 3.13Å; L413-L420 HydrophobicContact CD2-CB 4.43Å; L413-L420 HydrophobicContact CD2-CD2 3.88Å; L413-L420 HydrophobicContact CD2-CG 4.42Å; L413-V422 HydrophobicContact CD1-CG2 4.11Å
414D96.1Very high93.6Very high87 Ų8765.6 Ų65.647%0.46533%0.329SS..Hα-helixtrans-69.2-30.9-176-63.8-19000112.9K410 W411K410-D414 WeakPolarHBondContact CE-OD2 3.38Å; K410-D414 WeakPolarHBondContact CG-OD2 3.15Å; K410-D414 IonicContact NZ-OD1 2.74Å; K410-D414 PolarHBondContact NZ-OD1 3.48Å; K410-D414 IonicContact NZ-OD2 3.58Å; K410-D414 PolarHBondContact NZ-OD2 3.08Å; K410-D414 WeakPolarHBondContact O-CB 3.29Å; K410-D414 PolarHBondContact O-N 3.02Å; W411-D414 PolarHBondContact O-N 3.34Å
415N97.2Very high92Very high102 Ų10265.4 Ų65.455%0.54533%0.329SS..Hα-helixtrans-114.5-26.5-168.9-64.4-97.5000114.7W411 L413W411-N415 HydrophobicContact CD2-CB 4.38Å; W411-N415 HydrophobicContact CZ2-CB 4.13Å; W411-N415 PolarHBondContact NE1-ND2 3.3Å; W411-N415 VanDerWaalsContact O-CB 3.28Å; W411-N415 WeakPolarHBondContact O-CB 3.49Å; W411-N415 PolarHBondContact O-N 3.09Å; W411-N415 PolarHBondContact O-ND2 2.98Å; L413-N415 PolarHBondContact O-N 3.29Å
416V97.8Very high90.1Very high16 Ų1661.1 Ų61.110%0.09732%0.322CS..THydrogen-bonded Turntrans-109.7-42.1-175.1-178.50000111P287 W326 W411 Y412P287-V416 HydrophobicContact CB-CG1 4.45Å; W326-V416 HydrophobicContact CB-CG2 4.2Å; W326-V416 HydrophobicContact CD2-CB 4.35Å; W326-V416 HydrophobicContact CD2-CG1 3.6Å; W326-V416 HydrophobicContact CD2-CG2 3.76Å; W326-V416 HydrophobicContact CE3-CG1 4.21Å; W326-V416 HydrophobicContact CE3-CG2 3.66Å; W326-V416 HydrophobicContact CG-CG1 3.78Å; W326-V416 HydrophobicContact CG-CG2 4.03Å; W326-V416 HydrophobicContact CZ2-CG1 4.05Å; W326-V416 HydrophobicContact CZ3-CG2 4.28Å; W411-V416 HydrophobicContact CH2-CG2 4.12Å; W411-V416 HydrophobicContact CZ3-CG2 3.95Å; Y412-V416 HydrophobicContact CD2-CB 3.83Å; Y412-V416 HydrophobicContact CD2-CG1 4.04Å; Y412-V416 HydrophobicContact CD2-CG2 4.01Å; Y412-V416 HydrophobicContact CE2-CB 3.92Å; Y412-V416 HydrophobicContact CE2-CG1 3.62Å; Y412-V416 HydrophobicContact CE2-CG2 4.43Å; Y412-V416 HydrophobicContact CG-CB 4.32Å; Y412-V416 WeakPolarHBondContact O-CA 3.48Å; Y412-V416 VanDerWaalsContact O-CB 3.22Å; Y412-V416 WeakPolarHBondContact O-CB 3.24Å; Y412-V416 PolarHBondContact O-N 3.27Å
417Y97.3Very high88Confident1 Ų166.6 Ų66.60%0.00435%0.35CS..  trans-135.860.2-175.8-159.5-166000114.3G257 F258 E267 P287 Y412 L413 E419 L420G257-Y417 WeakPolarHBondContact CA-OH 3.38Å; F258-Y417 HydrophobicContact CD1-CD1 4Å; F258-Y417 AromaticContact CD1-CE1 3.61Å; F258-Y417 HydrophobicContact CD1-CE1 3.61Å; F258-Y417 AromaticContact CE1-CD1 3.51Å; F258-Y417 HydrophobicContact CE1-CD1 3.51Å; F258-Y417 AromaticContact CE1-CE1 3.61Å; F258-Y417 HydrophobicContact CE1-CE1 3.61Å; F258-Y417 HydrophobicContact CG-CE1 4.33Å; F258-Y417 HydrophobicContact CZ-CD1 4.14Å; F258-Y417 HydrophobicContact CZ-CE1 4.33Å; F258-Y417 PolarHBondContact N-OH 3.36Å; E267-Y417 PolarHBondContact OE1-OH 2.96Å; E267-Y417 WeakPolarHBondContact OE2-CE2 3.38Å; E267-Y417 PolarHBondContact OE2-OH 3.29Å; P287-Y417 HydrophobicContact CB-CD1 3.78Å; P287-Y417 HydrophobicContact CB-CD2 4.05Å; P287-Y417 HydrophobicContact CB-CE1 4.27Å; P287-Y417 HydrophobicContact CB-CG 3.64Å; P287-Y417 HydrophobicContact CG-CD1 4.15Å; P287-Y417 HydrophobicContact CG-CD2 3.49Å; P287-Y417 VanDerWaalsContact CG-CD2 3.49Å; P287-Y417 HydrophobicContact CG-CE2 3.94Å; P287-Y417 HydrophobicContact CG-CG 3.61Å; Y412-Y417 PolarHBondContact O-N 3.29Å; L413-Y417 CarbonylContact O-C 3.45Å; Y417-E419 HydrophobicContact CD2-CB 4.49Å; Y417-E419 HydrophobicContact CE2-CB 4.37Å; Y417-E419 PolarHBondContact O-N 2.74Å; Y417-L420 HydrophobicContact CD1-CB 3.58Å; Y417-L420 HydrophobicContact CD1-CD2 3.91Å; Y417-L420 HydrophobicContact CD1-CG 4.33Å; Y417-L420 HydrophobicContact CD2-CB 4.2Å; Y417-L420 HydrophobicContact CE1-CB 3.67Å; Y417-L420 HydrophobicContact CE1-CD1 4.43Å; Y417-L420 HydrophobicContact CE1-CD2 3.99Å; Y417-L420 HydrophobicContact CE1-CG 4.24Å; Y417-L420 HydrophobicContact CE2-CB 4.28Å; Y417-L420 HydrophobicContact CG-CB 3.87Å; Y417-L420 PolarHBondContact O-N 2.99Å; Y417-L420 VanDerWaalsContact O-N 3.17Å
418P93.8Very high86.7Confident85 Ų8561.8 Ų61.855%0.55233%0.331SS*.THydrogen-bonded Turntrans-67.6-18-177.528.4-36.4000113.1L413 L420L413-P418 WeakPolarHBondContact O-CA 3.13Å; P418-L420 VanDerWaalsContact C-N 3.3Å
419E92.8Very high85.3Confident72 Ų7264.4 Ų64.434%0.33634%0.337SS..THydrogen-bonded Turntrans-77.7-15.5177.9-52.790.9156.400113R255 Q273 Y417 K421R255-E419 IonicContact CZ-OE1 2.69Å; R255-E419 IonicContact CZ-OE2 3.29Å; R255-E419 IonicContact NH1-OE1 3.34Å; R255-E419 IonicContact NH1-OE2 3.92Å; R255-E419 IonicContact NH2-OE1 3.44Å; R255-E419 PolarHBondContact NH2-OE1 3.44Å; R255-E419 VanDerWaalsContact NH2-OE1 3.11Å; R255-E419 IonicContact NH2-OE2 2.74Å; R255-E419 PolarHBondContact NH2-OE2 2.76Å; Q273-E419 PolarHBondContact NE2-OE1 2.04Å; Y417-E419 HydrophobicContact CD2-CB 4.49Å; Y417-E419 HydrophobicContact CE2-CB 4.37Å; Y417-E419 PolarHBondContact O-N 2.74Å; E419-K421 PolarHBondContact O-N 3.12Å
420L93.1Very high84.5Confident16 Ų1667.2 Ų67.28%0.08436%0.357CS..SBendtrans-72.894.9170.6-179.759.7000109.1F258 W260 L413 Y417 P418 V422F258-L420 HydrophobicContact CD2-CD2 4.28Å; F258-L420 HydrophobicContact CE1-CD2 4.24Å; F258-L420 HydrophobicContact CE2-CD2 3.57Å; F258-L420 HydrophobicContact CZ-CD2 3.53Å; F258-L420 WeakPolarHBondContact O-CD1 2.98Å; W260-L420 HydrophobicContact CH2-CD2 4.28Å; W260-L420 HydrophobicContact CZ2-CD2 3.91Å; W260-L420 HydrophobicContact CZ2-CG 3.88Å; L413-L420 HydrophobicContact CD2-CB 4.43Å; L413-L420 HydrophobicContact CD2-CD2 3.88Å; L413-L420 HydrophobicContact CD2-CG 4.42Å; Y417-L420 HydrophobicContact CD1-CB 3.58Å; Y417-L420 HydrophobicContact CD1-CD2 3.91Å; Y417-L420 HydrophobicContact CD1-CG 4.33Å; Y417-L420 HydrophobicContact CD2-CB 4.2Å; Y417-L420 HydrophobicContact CE1-CB 3.67Å; Y417-L420 HydrophobicContact CE1-CD1 4.43Å; Y417-L420 HydrophobicContact CE1-CD2 3.99Å; Y417-L420 HydrophobicContact CE1-CG 4.24Å; Y417-L420 HydrophobicContact CE2-CB 4.28Å; Y417-L420 HydrophobicContact CG-CB 3.87Å; Y417-L420 PolarHBondContact O-N 2.99Å; Y417-L420 VanDerWaalsContact O-N 3.17Å; P418-L420 VanDerWaalsContact C-N 3.3Å; L420-V422 PolarHBondContact O-N 2.91Å; L420-V422 VanDerWaalsContact O-N 3.13Å
421K86.6Confident84.1Confident182 Ų18262.6 Ų62.679%0.79134%0.34SS*.PPolyproline II helixtrans-59.9118.7175.3-64.6-170.2178.2-173.30109.5W260 E419W260-K421 PolarHBondContact NE1-O 3.12Å; E419-K421 PolarHBondContact O-N 3.12Å
422V84.4Confident83.7Confident60 Ų6060.4 Ų60.436%0.36434%0.335SS..PPolyproline II helixtrans-61.6128.8164.7-1770000106.7W260 F375 F378 L413 L420 D424W260-V422 HydrophobicContact CH2-CG2 4.27Å; W260-V422 HydrophobicContact CZ2-CB 4.22Å; W260-V422 HydrophobicContact CZ2-CG1 4.47Å; W260-V422 HydrophobicContact CZ2-CG2 3.89Å; F375-V422 HydrophobicContact CD1-CG2 4.48Å; F375-V422 HydrophobicContact CE1-CG1 4.47Å; F375-V422 HydrophobicContact CE1-CG2 4.11Å; F378-V422 HydrophobicContact CD2-CG1 4.23Å; F378-V422 HydrophobicContact CE1-CG1 4.1Å; F378-V422 HydrophobicContact CE2-CG1 3.5Å; F378-V422 HydrophobicContact CZ-CG1 3.42Å; F378-V422 VanDerWaalsContact CZ-CG1 3.42Å; L413-V422 HydrophobicContact CD1-CG2 4.11Å; L420-V422 PolarHBondContact O-N 2.91Å; L420-V422 VanDerWaalsContact O-N 3.13Å; V422-D424 PolarHBondContact O-N 3.29Å; V422-D424 VanDerWaalsContact O-N 3.17Å
423P77.6Confident83.4Confident42 Ų4260.4 Ų60.427%0.27334%0.335SS..PPolyproline II helixtrans-58125.8-178.3-20.635.4000108.3W260 F378W260-P423 HydrophobicContact CD2-CG 4.46Å; W260-P423 HydrophobicContact CG-CG 4.05Å; W260-P423 VanDerWaalsContact NE1-CD 3.34Å; F378-P423 HydrophobicContact CD1-CB 4.25Å; F378-P423 HydrophobicContact CD1-CG 3.79Å; F378-P423 HydrophobicContact CE1-CB 4.41Å; F378-P423 HydrophobicContact CE1-CG 4.31Å; F378-P423 HydrophobicContact CG-CG 4.31Å
424D68.6Low83.2Confident115 Ų11564.3 Ų64.362%0.61535%0.349SS*.PPolyproline II helixtrans-79.8158.6166.7-169.89.5000108V422 S426V422-D424 PolarHBondContact O-N 3.29Å; V422-D424 VanDerWaalsContact O-N 3.17Å; D424-S426 PolarHBondContact O-N 3.41Å
425D65.3Low82.9Confident25 Ų2560.8 Ų60.813%0.13433%0.33CS..G310 helixtrans-78.319.2179.2-60.8-36.6000112.2D427 S428 V472 T474 H475 R480D425-D427 PolarHBondContact O-N 3.03Å; D425-S428 WeakPolarHBondContact CA-OG 3.3Å; D425-S428 WeakPolarHBondContact CB-OG 3.3Å; D425-S428 VanDerWaalsContact O-CB 3.24Å; D425-S428 WeakPolarHBondContact O-CB 3.12Å; D425-S428 PolarHBondContact O-N 3.24Å; D425-V472 HydrophobicContact CB-CG1 4.12Å; D425-T474 VanDerWaalsContact CG-CB 3.45Å; D425-T474 VanDerWaalsContact CG-CG2 3.5Å; D425-T474 VanDerWaalsContact OD1-CA 3.29Å; D425-T474 WeakPolarHBondContact OD1-CA 3.35Å; D425-T474 WeakPolarHBondContact OD1-CB 3.35Å; D425-T474 WeakPolarHBondContact OD2-CB 3.32Å; D425-T474 WeakPolarHBondContact OD2-CG2 3.42Å; D425-H475 PolarHBondContact OD1-N 3.43Å; D425-R480 IonicContact OD2-CZ 2.9Å; D425-R480 IonicContact OD2-NE 3.8Å; D425-R480 PolarHBondContact OD2-NE 2.67Å; D425-R480 IonicContact OD2-NH2 3.53Å; D425-R480 PolarHBondContact OD2-NH2 3.31Å
426S58.9Low82.5Confident94 Ų9464 Ų6466%0.65733%0.334SS*.G310 helixtrans-61.2-30.2-17961.90000112.5D424D424-S426 PolarHBondContact O-N 3.41Å
427D55.3Low82Confident138 Ų13871.2 Ų71.274%0.73837%0.367SS*.G310 helixtrans-97.80.6177.8-59.6-10.6000112.1D425D425-D427 PolarHBondContact O-N 3.03Å
428S70.7Confident81.5Confident17 Ų1773.4 Ų73.412%0.11938%0.379CS..SBendtrans-69.8134178.8-68.20000110D425 S430 Y473D425-S428 WeakPolarHBondContact CA-OG 3.3Å; D425-S428 WeakPolarHBondContact CB-OG 3.3Å; D425-S428 VanDerWaalsContact O-CB 3.24Å; D425-S428 WeakPolarHBondContact O-CB 3.12Å; D425-S428 PolarHBondContact O-N 3.24Å; S428-S430 PolarHBondContact O-N 3.35Å; S428-S430 VanDerWaalsContact O-N 3.13Å; S428-Y473 WeakPolarHBondContact CB-O 3.04Å; S428-Y473 PolarHBondContact OG-O 3.41Å
429Q69.1Low81.4Confident109 Ų10969.4 Ų69.451%0.50935%0.353SS..PPolyproline II helixtrans-62.9118.5178.9-69.8179.2-10.500109.4P559 F560Q429-P559 PolarHBondContact OE1-O 3.21Å; Q429-P559 VanDerWaalsContact OE1-O 3.04Å; Q429-F560 HydrophobicContact CB-CB 4.49Å
430S81.3Confident81.3Confident58 Ų5866 Ų6641%0.40634%0.337SS..EExtended strand (participates in β ladder)trans-88.7152.1167.375.70000110.1S428 E470 W471S428-S430 PolarHBondContact O-N 3.35Å; S428-S430 VanDerWaalsContact O-N 3.13Å; S430-E470 WeakPolarHBondContact CB-OE1 3.38Å; S430-E470 PolarHBondContact OG-OE1 2.66Å; S430-W471 CarbonylContact C-O 3.57Å; S430-W471 VanDerWaalsContact CA-O 3.29Å; S430-W471 WeakPolarHBondContact CA-O 3.26Å
431G86.9Confident81.2Confident11 Ų1167.4 Ų67.411%0.11334%0.343CS..EExtended strand (participates in β ladder)trans171.3-158.7168.800000111.5W471G431-W471 PolarHBondContact N-O 3.38Å; G431-W471 PolarHBondContact O-N 2.9Å
432V90.3Very high81.3Confident31 Ų3159.4 Ų59.419%0.18831%0.31CS..  trans-110.9132.5-170.1-166.70000111C439 P465 Q469 P559V432-C439 HydrophobicContact CG1-CB 3.52Å; V432-C439 WeakPolarHBondContact CG1-SG 3.49Å; V432-P465 HydrophobicContact CG2-CB 3.61Å; V432-P465 HydrophobicContact CG2-CG 4.42Å; V432-Q469 HydrophobicContact CG1-CB 4.3Å; V432-P559 WeakPolarHBondContact O-CD 3.49Å
433I92.4Very high81.4Confident0 Ų064.7 Ų64.70%032%0.323CS..  trans-89.5108.3173.1-61.5176000107.5C439 L440 W471 I479 L518 W556 E557 V558 F560I433-C439 WeakPolarHBondContact O-CA 3.21Å; I433-L440 HydrophobicContact CB-CB 3.95Å; I433-L440 HydrophobicContact CB-CD2 4.33Å; I433-L440 HydrophobicContact CD1-CD2 3.97Å; I433-L440 HydrophobicContact CG2-CB 4.21Å; I433-L440 HydrophobicContact CG2-CD2 4.44Å; I433-L440 PolarHBondContact O-N 3.14Å; I433-W471 HydrophobicContact CD1-CB 4.07Å; I433-W471 HydrophobicContact CD1-CG 4Å; I433-W471 HydrophobicContact CG1-CB 4.31Å; I433-W471 HydrophobicContact CG1-CG 4.27Å; I433-I479 HydrophobicContact CD1-CD1 4.11Å; I433-I479 HydrophobicContact CD1-CG2 3.57Å; I433-L518 HydrophobicContact CD1-CD1 4.3Å; I433-L518 HydrophobicContact CG2-CD1 3.81Å; I433-W556 HydrophobicContact CG2-CB 4.45Å; I433-W556 HydrophobicContact CG2-CD2 4.33Å; I433-W556 HydrophobicContact CG2-CE3 3.66Å; I433-W556 HydrophobicContact CG2-CZ3 4.32Å; I433-E557 WeakPolarHBondContact CA-O 3.49Å; I433-V558 HydrophobicContact CG1-CG1 4.18Å; I433-V558 HydrophobicContact CG2-CG1 4.13Å; I433-F560 HydrophobicContact CD1-CE1 4.26Å; I433-F560 HydrophobicContact CD1-CZ 4.07Å; I433-F560 HydrophobicContact CG1-CE1 4.23Å; I433-F560 HydrophobicContact CG1-CZ 4.31Å
434R91.5Very high81.5Confident89 Ų8971.4 Ų71.434%0.33634%0.343SS..EExtended strand (participates in β ladder)trans-108.9139.7-171.1174.4177.9-78.3121.1-1.6111.6R436 N438 C458 W556 E557R434-R436 VanDerWaalsContact CD-O 3.23Å; R434-R436 WeakPolarHBondContact CD-O 3.43Å; R434-R436 WeakPolarHBondContact CG-O 3.46Å; R434-N438 WeakPolarHBondContact CA-O 3.43Å; R434-C458 PolarHBondContact NE-SG 3.45Å; R434-W556 CarbonylContact O-C 3.57Å; R434-W556 WeakPolarHBondContact O-CA 3.35Å; R434-E557 HydrophobicContact CB-CB 4.17Å; R434-E557 PolarHBondContact N-O 3.34Å; R434-E557 PolarHBondContact O-N 3.25Å
435Q91.1Very high81.9Confident14 Ų1468.6 Ų68.67%0.06533%0.33CS..EExtended strand (participates in β ladder)trans-125.9103167179172.293.200108.8Q437 N438 S529 T553 R555 W556Q435-Q437 PolarHBondContact O-N 3.2Å; Q435-N438 CarbonylContact C-O 3.53Å; Q435-N438 PolarHBondContact N-O 3.25Å; Q435-N438 PolarHBondContact O-N 3.49Å; Q435-N438 VanDerWaalsContact O-O 3.13Å; Q435-S529 VanDerWaalsContact OE1-CB 3.3Å; Q435-S529 PolarHBondContact OE1-OG 3.39Å; Q435-T553 PolarHBondContact NE2-O 3.05Å; Q435-R555 PolarHBondContact NE2-O 3.48Å; Q435-W556 HydrophobicContact CB-CD2 4.44Å; Q435-W556 HydrophobicContact CB-CE3 3.72Å; Q435-W556 HydrophobicContact CB-CH2 4.2Å; Q435-W556 HydrophobicContact CB-CZ3 3.59Å; Q435-W556 VanDerWaalsContact NE2-CZ2 3.32Å
436R87.5Confident82.2Confident168 Ų16876.9 Ų76.963%0.63437%0.368SS*.THydrogen-bonded Turntrans56-114.1-173.1-57.6177.7173.2-178.9-3111.3R434 Y552R434-R436 VanDerWaalsContact CD-O 3.23Å; R434-R436 WeakPolarHBondContact CD-O 3.43Å; R434-R436 WeakPolarHBondContact CG-O 3.46Å; R436-Y552 VanDerWaalsContact CZ-CD2 3.43Å; R436-Y552 VanDerWaalsContact NH2-CB 3.28Å
437Q86.9Confident82.7Confident169 Ų16976.7 Ų76.779%0.7938%0.381SS*.THydrogen-bonded Turntrans-93.9-6.7179.5-64.6-179.9-3.700113.1Q435 C458Q435-Q437 PolarHBondContact O-N 3.2Å; Q437-C458 PolarHBondContact O-N 3.1Å; Q437-C458 VanDerWaalsContact O-N 3.16Å; Q437-C458 PolarHBondContact O-SG 3.4Å
438N88.6Confident83.5Confident47 Ų4775.6 Ų75.625%0.25137%0.371SS..EExtended strand (participates in β ladder)trans-103.2152.6-179.2-62.6-31000110.8R434 Q435 L455 G456 C458R434-N438 WeakPolarHBondContact CA-O 3.43Å; Q435-N438 CarbonylContact C-O 3.53Å; Q435-N438 PolarHBondContact N-O 3.25Å; Q435-N438 PolarHBondContact O-N 3.49Å; Q435-N438 VanDerWaalsContact O-O 3.13Å; N438-L455 HydrophobicContact CB-CB 4.29Å; N438-G456 CarbonylContact C-O 3.55Å; N438-G456 WeakPolarHBondContact CA-O 3.19Å; N438-G456 WeakPolarHBondContact CB-O 3.41Å; N438-C458 PolarHBondContact O-SG 3.4Å; N438-C458 VanDerWaalsContact O-SG 3.4Å
439C90.9Very high83.6Confident0 Ų083.9 Ų83.90%041%0.408CS..EExtended strand (participates in β ladder)trans-126.5146.4-179.7-770000109.7V432 I433 E441 G456 C458V432-C439 HydrophobicContact CG1-CB 3.52Å; V432-C439 WeakPolarHBondContact CG1-SG 3.49Å; I433-C439 WeakPolarHBondContact O-CA 3.21Å; C439-E441 PolarHBondContact O-N 3.34Å; C439-G456 PolarHBondContact N-O 3.43Å; C439-G456 PolarHBondContact O-N 3Å; C439-G456 VanDerWaalsContact O-N 3.08Å; C439-C458 HydrophobicContact CB-CB 3.98Å; C439-C458 WeakPolarHBondContact CB-SG 3.34Å; C439-C458 PolarHBondContact N-SG 2.89Å; C439-C458 VanDerWaalsContact N-SG 3.37Å; C439-C458 WeakPolarHBondContact SG-CB 3.37Å; C439-C458 CovalentContact SG-SG 2.03Å; C439-C458 PolarHBondContact SG-SG 3.2Å
440L91.3Very high84Confident0 Ų081.4 Ų81.40%040%0.397CS..EExtended strand (participates in β ladder)trans-62.6124.7174-173.168.5000108.8I433 L453 W471 L486 L542I433-L440 HydrophobicContact CB-CB 3.95Å; I433-L440 HydrophobicContact CB-CD2 4.33Å; I433-L440 HydrophobicContact CD1-CD2 3.97Å; I433-L440 HydrophobicContact CG2-CB 4.21Å; I433-L440 HydrophobicContact CG2-CD2 4.44Å; I433-L440 PolarHBondContact O-N 3.14Å; L440-L453 HydrophobicContact CD1-CD1 3.82Å; L440-L453 HydrophobicContact CD1-CD2 4Å; L440-L453 HydrophobicContact CD1-CG 3.76Å; L440-L453 HydrophobicContact CD2-CD1 4.33Å; L440-L453 HydrophobicContact CG-CD1 4.01Å; L440-W471 HydrophobicContact CB-CZ2 4.4Å; L440-W471 HydrophobicContact CD2-CD2 4.09Å; L440-W471 HydrophobicContact CD2-CH2 4.28Å; L440-W471 HydrophobicContact CD2-CZ2 3.74Å; L440-W471 HydrophobicContact CG-CH2 4.46Å; L440-W471 HydrophobicContact CG-CZ2 3.64Å; L440-W471 PolarHBondContact O-NE1 2.84Å; L440-L486 HydrophobicContact CD2-CD1 4.4Å; L440-L486 HydrophobicContact CD2-CD2 3.98Å; L440-L542 HydrophobicContact CD1-CD1 3.26Å
441E90.3Very high84.1Confident46 Ų4679.3 Ų79.322%0.21538%0.382CS..EExtended strand (participates in β ladder)trans-133.3137.1-173.7-178.2160.9-150.300110.6C439 T454 S468 Q469C439-E441 PolarHBondContact O-N 3.34Å; E441-T454 HydrophobicContact CB-CG2 4.11Å; E441-T454 HydrophobicContact CG-CG2 4.45Å; E441-T454 PolarHBondContact N-O 3Å; E441-T454 PolarHBondContact O-N 2.88Å; E441-S468 WeakPolarHBondContact CA-O 3.19Å; E441-S468 PolarHBondContact OE1-OG 2.8Å; E441-Q469 HydrophobicContact CB-CG 3.92Å; E441-Q469 HydrophobicContact CG-CG 3.98Å; E441-Q469 PolarHBondContact OE2-NE2 3.34Å
442S89.6Confident84Confident14 Ų1482.5 Ų82.510%0.09840%0.396CS..EExtended strand (participates in β ladder)trans-96.4133.5165.484.10000110.4L452 S468 Q481S442-L452 CarbonylContact C-O 3.52Å; S442-L452 WeakPolarHBondContact CA-O 3Å; S442-S468 PolarHBondContact N-O 2.69Å; S442-S468 WeakPolarHBondContact O-CB 3.36Å; S442-Q481 PolarHBondContact OG-OE1 2.91Å
443R85.3Confident83.9Confident171 Ų17181.7 Ų81.765%0.64539%0.391SS*.EExtended strand (participates in β ladder)trans-117.5122175.5-171.8172.3178.6167.6-0.6109.4L452R443-L452 PolarHBondContact N-O 3.34Å; R443-L452 PolarHBondContact O-N 2.98Å
444R79.8Confident83.6Confident183 Ų18383.9 Ų83.969%0.69140%0.404SS*.  trans-74.8128.1168-68.6-172.3178-1392.6108.8
445V77Confident83.4Confident56 Ų5680.8 Ų80.834%0.33939%0.394SS..  trans-112.1128175.9-1770000107.4G447 Q448 L452V445-G447 PolarHBondContact O-N 3.03Å; V445-Q448 HydrophobicContact CB-CB 4.43Å; V445-Q448 PolarHBondContact O-N 3.4Å; V445-Q448 VanDerWaalsContact O-N 3.12Å; V445-L452 HydrophobicContact CG2-CB 4.32Å
446E71.4Confident83.2Confident200 Ų20080.4 Ų80.494%0.93539%0.394SS*.THydrogen-bonded Turntrans-57.3128.2176-80.5-177.9155.800110.3
447G69.3Low83.2Confident90 Ų9077.3 Ų77.393%0.92840%0.396SS*.THydrogen-bonded Turntrans90.2-4.2-177.900000115.7V445V445-G447 PolarHBondContact O-N 3.03Å
448Q73.1Confident83.1Confident115 Ų11570.6 Ų70.654%0.53737%0.367SS..  trans-105.3133.6169.6-73.9-173.4-2100111.4V445 M450V445-Q448 HydrophobicContact CB-CB 4.43Å; V445-Q448 PolarHBondContact O-N 3.4Å; V445-Q448 VanDerWaalsContact O-N 3.12Å; Q448-M450 VanDerWaalsContact C-N 3.31Å
449E71.7Confident82.5Confident190 Ų19070.2 Ų70.289%0.88837%0.37SS*.SBendtrans-71-30.1179.4-140.9175.4-172.100111.9
450M77.6Confident81.1Confident58 Ų5873.1 Ų73.129%0.28640%0.4SS..SBendtrans-110.5140.8-174.9-51.9-50.3-65.900111.6Q448 H484 M499 L500 P501Q448-M450 VanDerWaalsContact C-N 3.31Å; M450-H484 WeakPolarHBondContact CE-CD2 3.48Å; M450-H484 WeakPolarHBondContact CE-NE2 3.29Å; M450-M499 WeakPolarHBondContact CE-O 3.34Å; M450-L500 HydrophobicContact CE-CD2 4.36Å; M450-P501 HydrophobicContact CE-CG 4.26Å
451P83.1Confident79.1Confident14 Ų1478.3 Ų78.39%0.09144%0.444CS..PPolyproline II helixtrans-63.6137.8174.4-1830.2000111.9M499P451-M499 HydrophobicContact CB-CB 4.41Å; P451-M499 HydrophobicContact CB-CG 4.39Å; P451-M499 HydrophobicContact CG-CB 4.45Å
452L84.6Confident77.1Confident77 Ų7785.9 Ų85.940%0.40348%0.479SS..EExtended strand (participates in β ladder)trans-80.3132.2172.8-176.367.4000109.9S442 R443 V445S442-L452 CarbonylContact C-O 3.52Å; S442-L452 WeakPolarHBondContact CA-O 3Å; R443-L452 PolarHBondContact N-O 3.34Å; R443-L452 PolarHBondContact O-N 2.98Å; V445-L452 HydrophobicContact CG2-CB 4.32Å
453L88.1Confident75.2Confident15 Ų1588.7 Ų88.78%0.07951%0.51CS..EExtended strand (participates in β ladder)trans-89.9129.7177-160.270.4000110.2L440 W471 L486 V497 M499 L542L440-L453 HydrophobicContact CD1-CD1 3.82Å; L440-L453 HydrophobicContact CD1-CD2 4Å; L440-L453 HydrophobicContact CD1-CG 3.76Å; L440-L453 HydrophobicContact CD2-CD1 4.33Å; L440-L453 HydrophobicContact CG-CD1 4.01Å; L453-W471 HydrophobicContact CD1-CH2 3.48Å; L453-W471 VanDerWaalsContact CD1-CH2 3.48Å; L453-W471 HydrophobicContact CD1-CZ2 3.83Å; L453-L486 HydrophobicContact CD2-CG 4.31Å; L453-V497 HydrophobicContact CD2-CB 4.22Å; L453-V497 HydrophobicContact CD2-CG1 3.83Å; L453-M499 HydrophobicContact CD1-CG 4.22Å; L453-M499 HydrophobicContact CD1-SD 4.22Å; L453-L542 HydrophobicContact CB-CD1 4.36Å; L453-L542 HydrophobicContact CD2-CB 4.36Å; L453-L542 HydrophobicContact CD2-CD1 3.57Å; L453-L542 HydrophobicContact CG-CD1 3.59Å
454T87Confident73.7Confident45 Ų4582.7 Ų82.728%0.27650%0.502SS..EExtended strand (participates in β ladder)trans-145.5174.9-178.1-168.60000111.7E441E441-T454 HydrophobicContact CB-CG2 4.11Å; E441-T454 HydrophobicContact CG-CG2 4.45Å; E441-T454 PolarHBondContact N-O 3Å; E441-T454 PolarHBondContact O-N 2.88Å
455L87.6Confident72.7Confident24 Ų2476.9 Ų76.913%0.12649%0.487CS..EExtended strand (participates in β ladder)trans-110.4112.7169.1-72.2174.1000109.5N438 L542 W556N438-L455 HydrophobicContact CB-CB 4.29Å; L455-L542 HydrophobicContact CD1-CD2 4.21Å; L455-L542 HydrophobicContact CG-CD2 4.26Å; L455-W556 HydrophobicContact CD1-CH2 4.29Å; L455-W556 HydrophobicContact CD2-CH2 3.87Å; L455-W556 HydrophobicContact CD2-CZ3 3.79Å
456G85.6Confident72.3Confident6 Ų677 Ų776%0.06249%0.489CS..EExtended strand (participates in β ladder)trans-109.1163.917500000111.8N438 C439 C458N438-G456 CarbonylContact C-O 3.55Å; N438-G456 WeakPolarHBondContact CA-O 3.19Å; N438-G456 WeakPolarHBondContact CB-O 3.41Å; C439-G456 PolarHBondContact N-O 3.43Å; C439-G456 PolarHBondContact O-N 3Å; C439-G456 VanDerWaalsContact O-N 3.08Å; G456-C458 PolarHBondContact O-N 2.83Å
457P87.4Confident72.4Confident103 Ų10371.9 Ų71.967%0.66947%0.474SS*.EExtended strand (participates in β ladder)trans-56.1136.3168.5-21.933.2000110.6A459 Q469P457-A459 PolarHBondContact O-N 3.42Å; P457-Q469 PolarHBondContact O-NE2 2.75Å
458C85.3Confident73.1Confident28 Ų2868.9 Ų68.919%0.18944%0.439CS..PPolyproline II helixtrans-63.6127.7178.2-60.80000111.2R434 Q437 N438 C439 G456 G460R434-C458 PolarHBondContact NE-SG 3.45Å; Q437-C458 PolarHBondContact O-N 3.1Å; Q437-C458 VanDerWaalsContact O-N 3.16Å; Q437-C458 PolarHBondContact O-SG 3.4Å; N438-C458 PolarHBondContact O-SG 3.4Å; N438-C458 VanDerWaalsContact O-SG 3.4Å; C439-C458 HydrophobicContact CB-CB 3.98Å; C439-C458 WeakPolarHBondContact CB-SG 3.34Å; C439-C458 PolarHBondContact N-SG 2.89Å; C439-C458 VanDerWaalsContact N-SG 3.37Å; C439-C458 WeakPolarHBondContact SG-CB 3.37Å; C439-C458 CovalentContact SG-SG 2.03Å; C439-C458 PolarHBondContact SG-SG 3.2Å; G456-C458 PolarHBondContact O-N 2.83Å; C458-G460 PolarHBondContact O-N 2.82Å
459A77.3Confident73.9Confident39 Ų3963.7 Ų63.732%0.32242%0.415SS..PPolyproline II helixtrans-59.7136.7176.200000111.5P457 T466P457-A459 PolarHBondContact O-N 3.42Å; A459-T466 HydrophobicContact CB-CG2 3.9Å
460G60Low74.7Confident61 Ų6158 Ų5863%0.62939%0.388SS*.PPolyproline II helixtrans-69.3151.2-171.700000114.7C458 E462C458-G460 PolarHBondContact O-N 2.82Å; G460-E462 PolarHBondContact O-N 2.8Å
461A50.1Low75.3Confident110 Ų11055.2 Ų55.291%0.90938%0.375SS*.THydrogen-bonded Turntrans-66.98.5-169.100000117.1
462E48.8Very low75.6Confident205 Ų20555.9 Ų55.996%0.95838%0.378SS*.THydrogen-bonded Turntrans-101.63.1-176.6-68.3-170.7168.500114.6G460G460-E462 PolarHBondContact O-N 2.8Å
463G49.2Very low75.8Confident73 Ų7354 Ų5475%0.75337%0.366SS*.SBendtrans-141.35.6178.500000116.4
464G53.9Low75.6Confident45 Ų4553.5 Ų53.546%0.46436%0.364SS..  trans75169.6-168.100000112.8
465P58.4Low75.1Confident60 Ų6053.7 Ų53.739%0.3936%0.361SS..  trans-63.4140.6177.725.9-31.9000111.2V432 E470V432-P465 HydrophobicContact CG2-CB 3.61Å; V432-P465 HydrophobicContact CG2-CG 4.42Å; P465-E470 HydrophobicContact CB-CB 4.43Å
466T67.9Low74.6Confident60 Ų6052.6 Ų52.637%0.36836%0.356SS..  trans-65.2146.9169.355.50000109.2A459 S468 Q469 E470A459-T466 HydrophobicContact CB-CG2 3.9Å; T466-S468 PolarHBondContact O-N 3.12Å; T466-S468 PolarHBondContact OG1-OG 2.62Å; T466-Q469 PolarHBondContact O-N 2.87Å; T466-E470 PolarHBondContact O-N 2.81Å; T466-E470 VanDerWaalsContact O-N 3.12Å
467S73.4Confident74.5Confident91 Ų9153.8 Ų53.864%0.63636%0.36SS*.THydrogen-bonded Turntrans-59-16.9177.957.20000113.8Q481S467-Q481 PolarHBondContact O-NE2 2.77Å; S467-Q481 VanDerWaalsContact O-NE2 3.13Å
468S85.7Confident74.6Confident27 Ų2749.1 Ų49.119%0.18933%0.329CS..THydrogen-bonded Turntrans-77-24.6173.160.10000114.2E441 S442 T466 Q481E441-S468 WeakPolarHBondContact CA-O 3.19Å; E441-S468 PolarHBondContact OE1-OG 2.8Å; S442-S468 PolarHBondContact N-O 2.69Å; S442-S468 WeakPolarHBondContact O-CB 3.36Å; T466-S468 PolarHBondContact O-N 3.12Å; T466-S468 PolarHBondContact OG1-OG 2.62Å; S468-Q481 PolarHBondContact O-NE2 3.34Å
469Q89.2Confident75Confident7 Ų747.8 Ų47.83%0.03332%0.32CS..THydrogen-bonded Turntrans-110.7-3.8-177.4-65.4-173.8-4.600113.3V432 E441 P457 T466 W471V432-Q469 HydrophobicContact CG1-CB 4.3Å; E441-Q469 HydrophobicContact CB-CG 3.92Å; E441-Q469 HydrophobicContact CG-CG 3.98Å; E441-Q469 PolarHBondContact OE2-NE2 3.34Å; P457-Q469 PolarHBondContact O-NE2 2.75Å; T466-Q469 PolarHBondContact O-N 2.87Å; Q469-W471 PolarHBondContact O-NE1 2.87Å
470E88.8Confident75.6Confident70 Ų7048 Ų4833%0.32731%0.313SS..  trans-84.1128.5175.1-170.9175.4-157.600110.9S430 P465 T466 Q481S430-E470 WeakPolarHBondContact CB-OE1 3.38Å; S430-E470 PolarHBondContact OG-OE1 2.66Å; P465-E470 HydrophobicContact CB-CB 4.43Å; T466-E470 PolarHBondContact O-N 2.81Å; T466-E470 VanDerWaalsContact O-N 3.12Å; E470-Q481 WeakPolarHBondContact O-CG 3.48Å; E470-Q481 PolarHBondContact O-NE2 3.29Å
471W90.4Very high77Confident0 Ų045.8 Ų45.80%029%0.286CS..EExtended strand (participates in β ladder)trans-128.3139.8-178.2-58.893.2000109.9S430 G431 I433 L440 L453 Q469 I479 Q481 L486 M499S430-W471 CarbonylContact C-O 3.57Å; S430-W471 VanDerWaalsContact CA-O 3.29Å; S430-W471 WeakPolarHBondContact CA-O 3.26Å; G431-W471 PolarHBondContact N-O 3.38Å; G431-W471 PolarHBondContact O-N 2.9Å; I433-W471 HydrophobicContact CD1-CB 4.07Å; I433-W471 HydrophobicContact CD1-CG 4Å; I433-W471 HydrophobicContact CG1-CB 4.31Å; I433-W471 HydrophobicContact CG1-CG 4.27Å; L440-W471 HydrophobicContact CB-CZ2 4.4Å; L440-W471 HydrophobicContact CD2-CD2 4.09Å; L440-W471 HydrophobicContact CD2-CH2 4.28Å; L440-W471 HydrophobicContact CD2-CZ2 3.74Å; L440-W471 HydrophobicContact CG-CH2 4.46Å; L440-W471 HydrophobicContact CG-CZ2 3.64Å; L440-W471 PolarHBondContact O-NE1 2.84Å; L453-W471 HydrophobicContact CD1-CH2 3.48Å; L453-W471 VanDerWaalsContact CD1-CH2 3.48Å; L453-W471 HydrophobicContact CD1-CZ2 3.83Å; Q469-W471 PolarHBondContact O-NE1 2.87Å; W471-I479 HydrophobicContact CB-CG2 4.08Å; W471-I479 HydrophobicContact CD2-CG2 4.26Å; W471-I479 HydrophobicContact CE3-CG2 3.87Å; W471-I479 HydrophobicContact CG-CG2 4.36Å; W471-Q481 HydrophobicContact CE3-CB 3.68Å; W471-Q481 HydrophobicContact CH2-CB 4.31Å; W471-Q481 HydrophobicContact CZ3-CB 3.56Å; W471-Q481 HydrophobicContact CZ3-CG 4.49Å; W471-L486 HydrophobicContact CE3-CD1 3.74Å; W471-L486 HydrophobicContact CH2-CD1 3.9Å; W471-L486 HydrophobicContact CZ3-CD1 3.28Å; W471-M499 HydrophobicContact CH2-CE 3.89Å; W471-M499 HydrophobicContact CH2-SD 3.85Å; W471-M499 HydrophobicContact CZ3-CE 3.58Å; W471-M499 HydrophobicContact CZ3-SD 3.72Å
472V89.1Confident78.6Confident27 Ų2745.4 Ų45.416%0.16427%0.265CS..EExtended strand (participates in β ladder)trans-108.8125.8176-179.80000108.3D425 R480D425-V472 HydrophobicContact CB-CG1 4.12Å; V472-R480 PolarHBondContact N-O 3.17Å; V472-R480 PolarHBondContact O-N 3.01Å
473Y87.7Confident80.3Confident39 Ų3942.7 Ų42.715%0.15325%0.252CS..EExtended strand (participates in β ladder)trans-93.2109.7170.5-177.6-109.5000110.1S428 Q477 Q478 I479 W511 F560S428-Y473 WeakPolarHBondContact CB-O 3.04Å; S428-Y473 PolarHBondContact OG-O 3.41Å; Y473-Q477 HydrophobicContact CE2-CB 4.35Å; Y473-Q478 WeakPolarHBondContact CA-O 3.12Å; Y473-I479 HydrophobicContact CD2-CG1 4.03Å; Y473-W511 WeakPolarHBondContact CE2-O 3.33Å; Y473-W511 PolarHBondContact OH-O 2.75Å; Y473-W511 VanDerWaalsContact OH-O 3.06Å; Y473-F560 HydrophobicContact CD1-CB 4.08Å; Y473-F560 AromaticContact CD1-CD2 3.72Å; Y473-F560 HydrophobicContact CD1-CD2 3.72Å; Y473-F560 HydrophobicContact CD1-CE2 4.35Å; Y473-F560 AromaticContact CD1-CG 3.96Å; Y473-F560 HydrophobicContact CD1-CG 3.96Å; Y473-F560 AromaticContact CD2-CD2 3.97Å; Y473-F560 HydrophobicContact CD2-CD2 3.97Å; Y473-F560 AromaticContact CD2-CE2 3.75Å; Y473-F560 HydrophobicContact CD2-CE2 3.75Å; Y473-F560 HydrophobicContact CD2-CZ 4.15Å; Y473-F560 HydrophobicContact CE1-CD2 4.33Å; Y473-F560 HydrophobicContact CE2-CE2 4.34Å; Y473-F560 HydrophobicContact CG-CB 4.28Å; Y473-F560 HydrophobicContact CG-CD1 4.13Å; Y473-F560 AromaticContact CG-CD2 3.49Å; Y473-F560 HydrophobicContact CG-CD2 3.49Å; Y473-F560 VanDerWaalsContact CG-CD2 3.49Å; Y473-F560 HydrophobicContact CG-CE1 4.37Å; Y473-F560 AromaticContact CG-CE2 3.74Å; Y473-F560 HydrophobicContact CG-CE2 3.74Å; Y473-F560 AromaticContact CG-CG 3.71Å; Y473-F560 HydrophobicContact CG-CG 3.71Å; Y473-F560 HydrophobicContact CG-CZ 4.19Å
474T84.3Confident82.3Confident3 Ų340.9 Ų40.92%0.01822%0.224CC..  trans-75.2159.5-169.673.90000111.7D425 G476 Q477 Q478 R480D425-T474 VanDerWaalsContact CG-CB 3.45Å; D425-T474 VanDerWaalsContact CG-CG2 3.5Å; D425-T474 VanDerWaalsContact OD1-CA 3.29Å; D425-T474 WeakPolarHBondContact OD1-CA 3.35Å; D425-T474 WeakPolarHBondContact OD1-CB 3.35Å; D425-T474 WeakPolarHBondContact OD2-CB 3.32Å; D425-T474 WeakPolarHBondContact OD2-CG2 3.42Å; T474-G476 PolarHBondContact O-N 3.49Å; T474-G476 VanDerWaalsContact O-N 3.13Å; T474-G476 PolarHBondContact OG1-N 3.14Å; T474-Q477 PolarHBondContact O-N 2.89Å; T474-Q478 HydrophobicContact CG2-CB 4.15Å; T474-Q478 WeakPolarHBondContact CG2-O 3.26Å; T474-Q478 PolarHBondContact N-O 3.29Å; T474-Q478 WeakPolarHBondContact OG1-CB 3.23Å; T474-Q478 PolarHBondContact OG1-N 3.29Å; T474-Q478 PolarHBondContact OG1-O 2.97Å; T474-R480 HydrophobicContact CG2-CB 3.64Å
475H76.4Confident84.1Confident49 Ų4938.7 Ų38.723%0.22720%0.202CC..THydrogen-bonded Turntrans-60.6-22.3170.1-71.7-67.4000112.7F378 S381 D425 Q477F378-H475 HydrophobicContact CD1-CB 3.74Å; F378-H475 HydrophobicContact CE1-CB 3.73Å; S381-H475 PolarHBondContact OG-ND1 2.91Å; D425-H475 PolarHBondContact OD1-N 3.43Å; H475-Q477 PolarHBondContact O-N 3.49Å
476G77.1Confident85.8Confident1 Ų135.9 Ų35.91%0.0118%0.184CC..THydrogen-bonded Turntrans-789.6170.800000114.9T474 Q478 R510T474-G476 PolarHBondContact O-N 3.49Å; T474-G476 VanDerWaalsContact O-N 3.13Å; T474-G476 PolarHBondContact OG1-N 3.14Å; G476-Q478 PolarHBondContact O-N 2.75Å; G476-R510 WeakPolarHBondContact O-CD 3.25Å; G476-R510 PolarHBondContact O-NH1 3.3Å
477Q84.9Confident87.1Confident31 Ų3133 Ų3315%0.14517%0.166CC..SBendtrans5835.5-177.2-51.4-173.9-71.900113L377 Y473 T474 H475 R510 W511 I521L377-Q477 HydrophobicContact CD2-CG 4.43Å; L377-Q477 VanDerWaalsContact CD2-OE1 3.23Å; Y473-Q477 HydrophobicContact CE2-CB 4.35Å; T474-Q477 PolarHBondContact O-N 2.89Å; H475-Q477 PolarHBondContact O-N 3.49Å; Q477-R510 WeakPolarHBondContact O-CA 3.44Å; Q477-W511 PolarHBondContact O-N 3.04Å; Q477-I521 HydrophobicContact CB-CD1 4.15Å; Q477-I521 VanDerWaalsContact OE1-CD1 3.26Å
478Q89.5Confident88Confident5 Ų528.7 Ų28.72%0.02314%0.136CC..  trans-106.5145.9174.1-50.5-179.4-69.100108.8Y473 T474 G476 N503 M504 Q509Y473-Q478 WeakPolarHBondContact CA-O 3.12Å; T474-Q478 HydrophobicContact CG2-CB 4.15Å; T474-Q478 WeakPolarHBondContact CG2-O 3.26Å; T474-Q478 PolarHBondContact N-O 3.29Å; T474-Q478 WeakPolarHBondContact OG1-CB 3.23Å; T474-Q478 PolarHBondContact OG1-N 3.29Å; T474-Q478 PolarHBondContact OG1-O 2.97Å; G476-Q478 PolarHBondContact O-N 2.75Å; Q478-N503 PolarHBondContact NE2-O 3.37Å; Q478-N503 VanDerWaalsContact NE2-O 3.16Å; Q478-M504 HydrophobicContact CG-SD 4.47Å; Q478-M504 PolarHBondContact OE1-SD 3.4Å; Q478-Q509 WeakPolarHBondContact CA-O 3.37Å; Q478-Q509 WeakPolarHBondContact CG-O 3.35Å
479I92.3Very high88.1Confident0 Ų029.8 Ų29.80%014%0.143CC..EExtended strand (participates in β ladder)trans-96.3107.9169.2-59.1169.4000106.1I433 W471 Y473 C485 L486 W511 L518 F560I433-I479 HydrophobicContact CD1-CD1 4.11Å; I433-I479 HydrophobicContact CD1-CG2 3.57Å; W471-I479 HydrophobicContact CB-CG2 4.08Å; W471-I479 HydrophobicContact CD2-CG2 4.26Å; W471-I479 HydrophobicContact CE3-CG2 3.87Å; W471-I479 HydrophobicContact CG-CG2 4.36Å; Y473-I479 HydrophobicContact CD2-CG1 4.03Å; I479-C485 WeakPolarHBondContact O-CA 3.37Å; I479-L486 HydrophobicContact CB-CB 4.31Å; I479-L486 HydrophobicContact CB-CD1 4.09Å; I479-L486 HydrophobicContact CB-CD2 4.19Å; I479-L486 HydrophobicContact CB-CG 4.44Å; I479-L486 HydrophobicContact CD1-CD2 4.11Å; I479-L486 HydrophobicContact CG2-CD1 3.79Å; I479-L486 HydrophobicContact CG2-CD2 4.17Å; I479-L486 HydrophobicContact CG2-CG 4.5Å; I479-L486 PolarHBondContact O-N 2.97Å; I479-W511 HydrophobicContact CD1-CB 3.83Å; I479-W511 HydrophobicContact CD1-CD2 4.42Å; I479-W511 HydrophobicContact CD1-CG 3.89Å; I479-W511 HydrophobicContact CG1-CB 4.09Å; I479-W511 HydrophobicContact CG1-CG 4.26Å; I479-L518 HydrophobicContact CD1-CD1 4.12Å; I479-L518 HydrophobicContact CD1-CD2 4Å; I479-F560 HydrophobicContact CD1-CZ 4.45Å; I479-F560 HydrophobicContact CG1-CZ 4.31Å
480R90.4Very high88.1Confident45 Ų4532.2 Ų32.217%0.1716%0.159CC..EExtended strand (participates in β ladder)trans-113.3144.8-169.3-177.6167.969.473.54.4111.5D425 V472 T474 Q482 H484 C502D425-R480 IonicContact OD2-CZ 2.9Å; D425-R480 IonicContact OD2-NE 3.8Å; D425-R480 PolarHBondContact OD2-NE 2.67Å; D425-R480 IonicContact OD2-NH2 3.53Å; D425-R480 PolarHBondContact OD2-NH2 3.31Å; V472-R480 PolarHBondContact N-O 3.17Å; V472-R480 PolarHBondContact O-N 3.01Å; T474-R480 HydrophobicContact CG2-CB 3.64Å; R480-Q482 WeakPolarHBondContact CD-O 3.35Å; R480-Q482 WeakPolarHBondContact CG-O 3.08Å; R480-Q482 PolarHBondContact NH1-O 3.06Å; R480-H484 CarbonylContact C-O 3.54Å; R480-H484 WeakPolarHBondContact CA-O 3.21Å; R480-C502 WeakPolarHBondContact CD-SG 3.44Å; R480-C502 VanDerWaalsContact CG-SG 3.54Å
481Q89.1Confident88.2Confident14 Ų1431.7 Ų31.77%0.06516%0.16CC..EExtended strand (participates in β ladder)trans-137.3119.6164.3-171.4-178.970.700108.6S442 S467 S468 E470 W471 Q483 H484 M499S442-Q481 PolarHBondContact OG-OE1 2.91Å; S467-Q481 PolarHBondContact O-NE2 2.77Å; S467-Q481 VanDerWaalsContact O-NE2 3.13Å; S468-Q481 PolarHBondContact O-NE2 3.34Å; E470-Q481 WeakPolarHBondContact O-CG 3.48Å; E470-Q481 PolarHBondContact O-NE2 3.29Å; W471-Q481 HydrophobicContact CE3-CB 3.68Å; W471-Q481 HydrophobicContact CH2-CB 4.31Å; W471-Q481 HydrophobicContact CZ3-CB 3.56Å; W471-Q481 HydrophobicContact CZ3-CG 4.49Å; Q481-Q483 PolarHBondContact O-N 3.49Å; Q481-H484 PolarHBondContact N-O 2.76Å; Q481-H484 PolarHBondContact O-N 3.27Å; Q481-H484 VanDerWaalsContact O-O 3.08Å; Q481-M499 HydrophobicContact CB-CE 3.95Å
482Q83.6Confident88.1Confident101 Ų10138.7 Ų38.747%0.47219%0.191SC..THydrogen-bonded Turntrans54.5-120.8-171.3-57175.6-3.900111.5R480R480-Q482 WeakPolarHBondContact CD-O 3.35Å; R480-Q482 WeakPolarHBondContact CG-O 3.08Å; R480-Q482 PolarHBondContact NH1-O 3.06Å
483Q85.3Confident88.1Confident148 Ų14840.6 Ų40.669%0.69220%0.204SC*.THydrogen-bonded Turntrans-97.17.9178.6-60.3-61-36.700113.1Q481 C502Q481-Q483 PolarHBondContact O-N 3.49Å; Q483-C502 PolarHBondContact O-N 3.37Å
484H90.6Very high88.1Confident35 Ų3540.9 Ų40.916%0.16221%0.214CC..EExtended strand (participates in β ladder)trans-116.2141.1-174.3-61.996.1000111.4M450 R480 Q481 M499 L500M450-H484 WeakPolarHBondContact CE-CD2 3.48Å; M450-H484 WeakPolarHBondContact CE-NE2 3.29Å; R480-H484 CarbonylContact C-O 3.54Å; R480-H484 WeakPolarHBondContact CA-O 3.21Å; Q481-H484 PolarHBondContact N-O 2.76Å; Q481-H484 PolarHBondContact O-N 3.27Å; Q481-H484 VanDerWaalsContact O-O 3.08Å; H484-M499 HydrophobicContact CB-CB 4.35Å; H484-M499 HydrophobicContact CB-CE 3.49Å; H484-M499 VanDerWaalsContact CB-CE 3.49Å; H484-L500 CarbonylContact C-O 3.58Å; H484-L500 VanDerWaalsContact CA-O 3.25Å; H484-L500 WeakPolarHBondContact CA-O 3.16Å
485C93Very high88.4Confident0 Ų041.2 Ų41.20%022%0.217CC..EExtended strand (participates in β ladder)trans-122.8146.7-178.6-75.90000109.9I479 S487 L500 C502 Q509I479-C485 WeakPolarHBondContact O-CA 3.37Å; C485-S487 PolarHBondContact O-N 3.22Å; C485-L500 PolarHBondContact N-O 3.12Å; C485-L500 PolarHBondContact O-N 3.26Å; C485-C502 HydrophobicContact CB-CB 4.04Å; C485-C502 WeakPolarHBondContact CB-SG 3.39Å; C485-C502 PolarHBondContact N-SG 3.36Å; C485-C502 WeakPolarHBondContact SG-CB 3.13Å; C485-C502 CovalentContact SG-SG 2.04Å; C485-C502 PolarHBondContact SG-SG 3.44Å; C485-Q509 HydrophobicContact CB-CB 4.48Å
486L94.4Very high89Confident0 Ų042 Ų420%022%0.22CC..EExtended strand (participates in β ladder)trans-60120.4169.3-88.767.2000108.8L440 L453 W471 I479 V497 M499 Q509 W511L440-L486 HydrophobicContact CD2-CD1 4.4Å; L440-L486 HydrophobicContact CD2-CD2 3.98Å; L453-L486 HydrophobicContact CD2-CG 4.31Å; W471-L486 HydrophobicContact CE3-CD1 3.74Å; W471-L486 HydrophobicContact CH2-CD1 3.9Å; W471-L486 HydrophobicContact CZ3-CD1 3.28Å; I479-L486 HydrophobicContact CB-CB 4.31Å; I479-L486 HydrophobicContact CB-CD1 4.09Å; I479-L486 HydrophobicContact CB-CD2 4.19Å; I479-L486 HydrophobicContact CB-CG 4.44Å; I479-L486 HydrophobicContact CD1-CD2 4.11Å; I479-L486 HydrophobicContact CG2-CD1 3.79Å; I479-L486 HydrophobicContact CG2-CD2 4.17Å; I479-L486 HydrophobicContact CG2-CG 4.5Å; I479-L486 PolarHBondContact O-N 2.97Å; L486-V497 HydrophobicContact CB-CG1 4.24Å; L486-V497 HydrophobicContact CD2-CG1 4.26Å; L486-V497 HydrophobicContact CG-CG1 4.1Å; L486-M499 HydrophobicContact CD1-SD 3.7Å; L486-M499 HydrophobicContact CG-SD 4.48Å; L486-Q509 WeakPolarHBondContact O-CA 3.39Å; L486-W511 HydrophobicContact CB-CZ2 4.31Å; L486-W511 PolarHBondContact O-NE1 3.39Å
487S94.3Very high89.7Confident0 Ų042 Ų420%022%0.221CC..EExtended strand (participates in β ladder)trans-132.6161.8-179.5-165.60000111C485 V497 L498 K508 Q509C485-S487 PolarHBondContact O-N 3.22Å; S487-V497 CarbonylContact O-C 3.09Å; S487-V497 WeakPolarHBondContact O-CA 3.48Å; S487-L498 PolarHBondContact N-O 3.12Å; S487-L498 PolarHBondContact O-N 3.02Å; S487-K508 WeakPolarHBondContact CA-O 3.49Å; S487-Q509 WeakPolarHBondContact OG-CG 3.48Å
488L92.2Very high90.1Very high1 Ų143.2 Ų43.21%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-101.8143.4174.5-56.4-179.8000111.8T490 V497 K508 W511 H520 I544L488-T490 WeakPolarHBondContact CB-O 3.46Å; L488-V497 HydrophobicContact CD2-CG2 3.83Å; L488-K508 HydrophobicContact CB-CB 4.28Å; L488-K508 PolarHBondContact N-O 3.29Å; L488-K508 WeakPolarHBondContact O-CD 3.39Å; L488-W511 HydrophobicContact CD2-CH2 3.87Å; L488-W511 HydrophobicContact CD2-CZ2 3.88Å; L488-W511 HydrophobicContact CG-CZ2 4.41Å; L488-H520 HydrophobicContact CD1-CB 4.37Å; L488-H520 WeakPolarHBondContact CD1-CE1 3.47Å; L488-H520 VanDerWaalsContact CD1-ND1 3.33Å; L488-H520 WeakPolarHBondContact CD1-ND1 3.26Å; L488-H520 WeakPolarHBondContact CD1-NE2 3.46Å; L488-I544 HydrophobicContact CD1-CD1 3.45Å; L488-I544 VanDerWaalsContact CD1-CD1 3.45Å; L488-I544 HydrophobicContact CD1-CG1 4.29Å; L488-I544 HydrophobicContact CD1-CG2 4.37Å; L488-I544 HydrophobicContact CD2-CB 4.43Å; L488-I544 HydrophobicContact CD2-CD1 4.09Å; L488-I544 HydrophobicContact CD2-CG1 4.01Å; L488-I544 HydrophobicContact CD2-CG2 3.56Å; L488-I544 HydrophobicContact CG-CD1 4.35Å
489S87.8Confident90.1Very high49 Ų4943.1 Ų43.134%0.34323%0.227SC..SBendtrans-63.4-52.1166.257.70000110.7Q496 K508S489-Q496 PolarHBondContact N-O 3.19Å; S489-Q496 PolarHBondContact OG-O 2.79Å; S489-K508 PolarHBondContact O-NZ 3.37Å
490T89.3Confident90.1Very high59 Ų5945.8 Ų45.836%0.36224%0.241SC..  trans-138.8170.8174.288.80000111.2L488 F492 S495L488-T490 WeakPolarHBondContact CB-O 3.46Å; T490-F492 WeakPolarHBondContact OG1-CD2 3.13Å; T490-F492 PolarHBondContact OG1-N 3.26Å; T490-S495 WeakPolarHBondContact O-CB 3.02Å; T490-S495 PolarHBondContact O-OG 2.88Å; T490-S495 VanDerWaalsContact O-OG 3.09Å; T490-S495 PolarHBondContact OG1-OG 3.3Å
491T90Very high90.1Very high58 Ų5847.5 Ų47.536%0.35626%0.258SS..SBendtrans-95.18.6179.853.90000113.6V522T491-V522 HydrophobicContact CG2-CG1 4.47Å
492F89.6Confident90.1Very high148 Ų14848.9 Ų48.965%0.64927%0.269SS*.SBendtrans-79.6156.2176.6-66.7-69.5000111.4T490 S495 I544T490-F492 WeakPolarHBondContact OG1-CD2 3.13Å; T490-F492 PolarHBondContact OG1-N 3.26Å; F492-S495 PolarHBondContact N-OG 3.31Å; F492-S495 VanDerWaalsContact O-CB 3.25Å; F492-S495 WeakPolarHBondContact O-CB 3.33Å; F492-S495 PolarHBondContact O-N 3.44Å; F492-S495 PolarHBondContact O-OG 3Å; F492-I544 WeakPolarHBondContact O-CD1 3.42Å
493P88.1Confident90.2Very high67 Ų6747.9 Ų47.944%0.43527%0.267SS..THydrogen-bonded Turntrans-52.8152.9170-21.432.2000111.3S495 F525 I544P493-S495 PolarHBondContact O-N 2.83Å; P493-F525 HydrophobicContact CB-CE2 4.32Å; P493-F525 HydrophobicContact CG-CD2 4.38Å; P493-F525 HydrophobicContact CG-CE2 3.56Å; P493-F525 HydrophobicContact CG-CZ 3.71Å; P493-I544 CarbonylContact C-O 3.29Å
494A87.9Confident89.8Confident44 Ų4443.8 Ų43.836%0.36425%0.248SC..THydrogen-bonded Turntrans66.24.6-175.400000115.5Q496 M531 I544A494-Q496 PolarHBondContact O-N 3.05Å; A494-M531 HydrophobicContact CB-CE 3.47Å; A494-M531 VanDerWaalsContact CB-CE 3.47Å; A494-M531 HydrophobicContact CB-SD 3.42Å; A494-M531 WeakPolarHBondContact CB-SD 3.36Å; A494-I544 PolarHBondContact N-O 3.24Å
495S90.3Very high89Confident10 Ų1045.3 Ų45.37%0.0727%0.267CS..EExtended strand (participates in β ladder)trans-67132.1179.1-63.90000111T490 F492 P493 V543 I544T490-S495 WeakPolarHBondContact O-CB 3.02Å; T490-S495 PolarHBondContact O-OG 2.88Å; T490-S495 VanDerWaalsContact O-OG 3.09Å; T490-S495 PolarHBondContact OG1-OG 3.3Å; F492-S495 PolarHBondContact N-OG 3.31Å; F492-S495 VanDerWaalsContact O-CB 3.25Å; F492-S495 WeakPolarHBondContact O-CB 3.33Å; F492-S495 PolarHBondContact O-N 3.44Å; F492-S495 PolarHBondContact O-OG 3Å; P493-S495 PolarHBondContact O-N 2.83Å; S495-V543 CarbonylContact O-C 3.57Å; S495-V543 WeakPolarHBondContact O-CA 3.33Å; S495-I544 WeakPolarHBondContact O-CG1 3.38Å; S495-I544 PolarHBondContact O-N 3.34Å
496Q90.1Very high88.6Confident65 Ų6547.1 Ų47.130%0.30428%0.277SS..EExtended strand (participates in β ladder)trans-64.1138.3177.8-169.117820.600112S489 A494 L498S489-Q496 PolarHBondContact N-O 3.19Å; S489-Q496 PolarHBondContact OG-O 2.79Å; A494-Q496 PolarHBondContact O-N 3.05Å; Q496-L498 HydrophobicContact CG-CD2 3.86Å; Q496-L498 HydrophobicContact CG-CG 4.32Å
497V92.1Very high88.2Confident3 Ų348.5 Ų48.52%0.01829%0.29CS..EExtended strand (participates in β ladder)trans-89.3126.9169.6-172.10000109.2L453 L486 S487 L488 W511 L527 L542 I544L453-V497 HydrophobicContact CD2-CB 4.22Å; L453-V497 HydrophobicContact CD2-CG1 3.83Å; L486-V497 HydrophobicContact CB-CG1 4.24Å; L486-V497 HydrophobicContact CD2-CG1 4.26Å; L486-V497 HydrophobicContact CG-CG1 4.1Å; S487-V497 CarbonylContact O-C 3.09Å; S487-V497 WeakPolarHBondContact O-CA 3.48Å; L488-V497 HydrophobicContact CD2-CG2 3.83Å; V497-W511 HydrophobicContact CG1-CH2 4.32Å; V497-W511 HydrophobicContact CG1-CZ2 4.01Å; V497-W511 HydrophobicContact CG2-CH2 4.04Å; V497-W511 HydrophobicContact CG2-CZ2 4.46Å; V497-L527 HydrophobicContact CB-CD1 4.34Å; V497-L527 HydrophobicContact CG1-CD1 4.47Å; V497-L527 HydrophobicContact CG2-CD1 3.67Å; V497-L542 HydrophobicContact CB-CB 4.33Å; V497-L542 PolarHBondContact N-O 2.85Å; V497-I544 HydrophobicContact CG2-CG2 4.24Å
498L91.5Very high88.1Confident56 Ų5652.3 Ų52.329%0.29331%0.307SS..EExtended strand (participates in β ladder)trans-125.6160.1-173.5-61.3172.5000110.4S487 Q496S487-L498 PolarHBondContact N-O 3.12Å; S487-L498 PolarHBondContact O-N 3.02Å; Q496-L498 HydrophobicContact CG-CD2 3.86Å; Q496-L498 HydrophobicContact CG-CG 4.32Å
499M91.1Very high88.2Confident3 Ų352.4 Ų52.42%0.01531%0.308CS..EExtended strand (participates in β ladder)trans-92.8114.3168.1-70.1-65.4-79.600108.8M450 P451 L453 W471 Q481 H484 L486M450-M499 WeakPolarHBondContact CE-O 3.34Å; P451-M499 HydrophobicContact CB-CB 4.41Å; P451-M499 HydrophobicContact CB-CG 4.39Å; P451-M499 HydrophobicContact CG-CB 4.45Å; L453-M499 HydrophobicContact CD1-CG 4.22Å; L453-M499 HydrophobicContact CD1-SD 4.22Å; W471-M499 HydrophobicContact CH2-CE 3.89Å; W471-M499 HydrophobicContact CH2-SD 3.85Å; W471-M499 HydrophobicContact CZ3-CE 3.58Å; W471-M499 HydrophobicContact CZ3-SD 3.72Å; Q481-M499 HydrophobicContact CB-CE 3.95Å; H484-M499 HydrophobicContact CB-CB 4.35Å; H484-M499 HydrophobicContact CB-CE 3.49Å; H484-M499 VanDerWaalsContact CB-CE 3.49Å; L486-M499 HydrophobicContact CD1-SD 3.7Å; L486-M499 HydrophobicContact CG-SD 4.48Å
500L91.5Very high88.3Confident56 Ų5650.7 Ų50.729%0.29329%0.294SS..EExtended strand (participates in β ladder)trans-120.8158.8176.8-66-174.3000111.1M450 H484 C485 C502M450-L500 HydrophobicContact CE-CD2 4.36Å; H484-L500 CarbonylContact C-O 3.58Å; H484-L500 VanDerWaalsContact CA-O 3.25Å; H484-L500 WeakPolarHBondContact CA-O 3.16Å; C485-L500 PolarHBondContact N-O 3.12Å; C485-L500 PolarHBondContact O-N 3.26Å; L500-C502 PolarHBondContact O-N 2.9Å
501P90.4Very high88.5Confident81 Ų8147.9 Ų47.953%0.52628%0.276SS..EExtended strand (participates in β ladder)trans-55133.2174-24.236.1000110.4M450 N503 Q509M450-P501 HydrophobicContact CE-CG 4.26Å; P501-N503 PolarHBondContact O-N 3.49Å; P501-Q509 PolarHBondContact O-NE2 3.21Å
502C88.4Confident88.5Confident43 Ų4347.5 Ų47.529%0.29127%0.271SS..  trans-61.5123.1-176.8-68.50000110.8R480 Q483 C485 L500R480-C502 WeakPolarHBondContact CD-SG 3.44Å; R480-C502 VanDerWaalsContact CG-SG 3.54Å; Q483-C502 PolarHBondContact O-N 3.37Å; C485-C502 HydrophobicContact CB-CB 4.04Å; C485-C502 WeakPolarHBondContact CB-SG 3.39Å; C485-C502 PolarHBondContact N-SG 3.36Å; C485-C502 WeakPolarHBondContact SG-CB 3.13Å; C485-C502 CovalentContact SG-SG 2.04Å; C485-C502 PolarHBondContact SG-SG 3.44Å; L500-C502 PolarHBondContact O-N 2.9Å
503N86.4Confident88.5Confident80 Ų8044.4 Ų44.443%0.42826%0.257SS..  trans-129.5109176.1-178.7-0.7000109.3Q478 P501 A505 D506Q478-N503 PolarHBondContact NE2-O 3.37Å; Q478-N503 VanDerWaalsContact NE2-O 3.16Å; P501-N503 PolarHBondContact O-N 3.49Å; N503-A505 PolarHBondContact O-N 2.87Å; N503-A505 VanDerWaalsContact O-N 3.11Å; N503-A505 WeakPolarHBondContact OD1-CB 3.29Å; N503-A505 PolarHBondContact OD1-N 3.03Å; N503-D506 HydrophobicContact CB-CB 3.84Å; N503-D506 WeakPolarHBondContact O-CB 3.28Å; N503-D506 PolarHBondContact O-N 2.74Å
504M76.3Confident88.5Confident62 Ų6243.9 Ų43.931%0.30526%0.255SS..THydrogen-bonded Turntrans-64.7-9.8177.9-79.7-69.7-66.500114F378 Q478 R510F378-M504 HydrophobicContact CE2-CE 3.9Å; F378-M504 HydrophobicContact CZ-CE 3.63Å; Q478-M504 HydrophobicContact CG-SD 4.47Å; Q478-M504 PolarHBondContact OE1-SD 3.4Å; M504-R510 PolarHBondContact O-NH2 3.35Å; M504-R510 PolarHBondContact SD-NH1 3.47Å
505A75.4Confident88.4Confident66 Ų6644.7 Ų44.755%0.54527%0.268SS..THydrogen-bonded Turntrans-97.5-617200000112.7N503 G507N503-A505 PolarHBondContact O-N 2.87Å; N503-A505 VanDerWaalsContact O-N 3.11Å; N503-A505 WeakPolarHBondContact OD1-CB 3.29Å; N503-A505 PolarHBondContact OD1-N 3.03Å; A505-G507 PolarHBondContact O-N 3.25Å
506D84.4Confident88.4Confident39 Ų3947.9 Ų47.921%0.20929%0.287CS..  trans-89.3105.7-177.1-173.73.6000111.2N503 K508 Q509N503-D506 HydrophobicContact CB-CB 3.84Å; N503-D506 WeakPolarHBondContact O-CB 3.28Å; N503-D506 PolarHBondContact O-N 2.74Å; D506-K508 PolarHBondContact O-N 3.2Å; D506-K508 VanDerWaalsContact O-N 3.15Å; D506-K508 VanDerWaalsContact OD1-CB 3.31Å; D506-K508 WeakPolarHBondContact OD1-CB 3.23Å; D506-K508 WeakPolarHBondContact OD1-CG 3.46Å; D506-K508 PolarHBondContact OD1-N 2.9Å; D506-Q509 HydrophobicContact CB-CG 4.09Å; D506-Q509 PolarHBondContact O-N 2.61Å; D506-Q509 VanDerWaalsContact O-N 3.09Å; D506-Q509 PolarHBondContact OD2-NE2 3.21Å
507G85.3Confident88.5Confident28 Ų2845.3 Ų45.329%0.28928%0.275SS..G310 helixtrans-58.8-22.7176.200000114.1A505 Q509 R510 H520 V522A505-G507 PolarHBondContact O-N 3.25Å; G507-Q509 PolarHBondContact O-N 2.91Å; G507-R510 WeakPolarHBondContact O-CB 3.47Å; G507-R510 WeakPolarHBondContact O-CG 3.31Å; G507-R510 PolarHBondContact O-N 3Å; G507-H520 PolarHBondContact O-NE2 2.77Å; G507-V522 VanDerWaalsContact O-CG2 3.28Å; G507-V522 WeakPolarHBondContact O-CG2 3.23Å
508K92.1Very high88.6Confident81 Ų8145.1 Ų45.135%0.35227%0.274SS..G310 helixtrans-71.2-10.2177.7-57.8-172.8-166.9178.20113.6S487 L488 S489 D506 H520S487-K508 WeakPolarHBondContact CA-O 3.49Å; L488-K508 HydrophobicContact CB-CB 4.28Å; L488-K508 PolarHBondContact N-O 3.29Å; L488-K508 WeakPolarHBondContact O-CD 3.39Å; S489-K508 PolarHBondContact O-NZ 3.37Å; D506-K508 PolarHBondContact O-N 3.2Å; D506-K508 VanDerWaalsContact O-N 3.15Å; D506-K508 VanDerWaalsContact OD1-CB 3.31Å; D506-K508 WeakPolarHBondContact OD1-CB 3.23Å; D506-K508 WeakPolarHBondContact OD1-CG 3.46Å; D506-K508 PolarHBondContact OD1-N 2.9Å; K508-H520 WeakPolarHBondContact CA-NE2 3.11Å; K508-H520 PolarHBondContact O-NE2 3Å
509Q93.5Very high88.8Confident3 Ų343.4 Ų43.41%0.01426%0.264CS..G310 helixtrans-101.713.4-178.2-58.7-172.74.400112.9Q478 C485 L486 S487 P501 D506 G507Q478-Q509 WeakPolarHBondContact CA-O 3.37Å; Q478-Q509 WeakPolarHBondContact CG-O 3.35Å; C485-Q509 HydrophobicContact CB-CB 4.48Å; L486-Q509 WeakPolarHBondContact O-CA 3.39Å; S487-Q509 WeakPolarHBondContact OG-CG 3.48Å; P501-Q509 PolarHBondContact O-NE2 3.21Å; D506-Q509 HydrophobicContact CB-CG 4.09Å; D506-Q509 PolarHBondContact O-N 2.61Å; D506-Q509 VanDerWaalsContact O-N 3.09Å; D506-Q509 PolarHBondContact OD2-NE2 3.21Å; G507-Q509 PolarHBondContact O-N 2.91Å
510R91Very high88.9Confident13 Ų1343.2 Ų43.25%0.04926%0.263CS..  trans-105.2120.8-169.3-61.7-62.4-155.4-152.8-2.8111.5D374 L377 G476 Q477 M504 G507 H520 I521D374-R510 IonicContact OD1-NH2 3.7Å; L377-R510 VanDerWaalsContact CD1-NH2 3.35Å; G476-R510 WeakPolarHBondContact O-CD 3.25Å; G476-R510 PolarHBondContact O-NH1 3.3Å; Q477-R510 WeakPolarHBondContact O-CA 3.44Å; M504-R510 PolarHBondContact O-NH2 3.35Å; M504-R510 PolarHBondContact SD-NH1 3.47Å; G507-R510 WeakPolarHBondContact O-CB 3.47Å; G507-R510 WeakPolarHBondContact O-CG 3.31Å; G507-R510 PolarHBondContact O-N 3Å; R510-H520 WeakPolarHBondContact O-CA 3.39Å; R510-H520 PolarHBondContact O-CD2 2.88Å; R510-I521 HydrophobicContact CB-CB 3.98Å; R510-I521 HydrophobicContact CB-CD1 4.09Å; R510-I521 HydrophobicContact CB-CG1 4.2Å; R510-I521 PolarHBondContact O-N 3.18Å
511W92.1Very high88.8Confident0 Ų042.2 Ų42.20%026%0.258CS..EExtended strand (participates in β ladder)trans-128.6146.3-175.6-59.388.6000110.4Y473 Q477 I479 L486 L488 V497 E519 H520 L527 I544Y473-W511 WeakPolarHBondContact CE2-O 3.33Å; Y473-W511 PolarHBondContact OH-O 2.75Å; Y473-W511 VanDerWaalsContact OH-O 3.06Å; Q477-W511 PolarHBondContact O-N 3.04Å; I479-W511 HydrophobicContact CD1-CB 3.83Å; I479-W511 HydrophobicContact CD1-CD2 4.42Å; I479-W511 HydrophobicContact CD1-CG 3.89Å; I479-W511 HydrophobicContact CG1-CB 4.09Å; I479-W511 HydrophobicContact CG1-CG 4.26Å; L486-W511 HydrophobicContact CB-CZ2 4.31Å; L486-W511 PolarHBondContact O-NE1 3.39Å; L488-W511 HydrophobicContact CD2-CH2 3.87Å; L488-W511 HydrophobicContact CD2-CZ2 3.88Å; L488-W511 HydrophobicContact CG-CZ2 4.41Å; V497-W511 HydrophobicContact CG1-CH2 4.32Å; V497-W511 HydrophobicContact CG1-CZ2 4.01Å; V497-W511 HydrophobicContact CG2-CH2 4.04Å; V497-W511 HydrophobicContact CG2-CZ2 4.46Å; W511-E519 CarbonylContact C-O 3.59Å; W511-E519 WeakPolarHBondContact CA-O 3.48Å; W511-H520 HydrophobicContact CD2-CB 4.46Å; W511-H520 HydrophobicContact CE3-CB 3.91Å; W511-H520 HydrophobicContact CH2-CB 4.12Å; W511-H520 HydrophobicContact CZ3-CB 3.73Å; W511-L527 HydrophobicContact CH2-CD1 4.42Å; W511-L527 HydrophobicContact CZ3-CB 4.05Å; W511-I544 HydrophobicContact CH2-CG2 3.74Å; W511-I544 HydrophobicContact CZ3-CG2 4.11Å
512Q90.3Very high88.8Confident50 Ų5042.5 Ų42.523%0.23426%0.258CS..EExtended strand (participates in β ladder)trans-134.2150.7171.967.5176.826.600110.4E519 I521Q512-E519 HydrophobicContact CG-CB 3.99Å; Q512-E519 PolarHBondContact N-O 2.94Å; Q512-E519 VanDerWaalsContact NE2-CD 3.29Å; Q512-E519 PolarHBondContact NE2-OE1 3.45Å; Q512-E519 PolarHBondContact NE2-OE2 3.24Å; Q512-E519 PolarHBondContact O-N 2.95Å; Q512-I521 HydrophobicContact CB-CD1 4.05Å; Q512-I521 HydrophobicContact CB-CG1 3.97Å; Q512-I521 HydrophobicContact CG-CG1 3.94Å
513K89.7Confident89Confident82 Ų8241.3 Ų41.336%0.35725%0.25SC..EExtended strand (participates in β ladder)trans-81125.4169.9-172.3-174.4-171.9171.20109.5G515 V558 F560K513-G515 VanDerWaalsContact CE-O 3.31Å; K513-G515 WeakPolarHBondContact CE-O 3.48Å; K513-V558 HydrophobicContact CB-CG2 4.47Å; K513-V558 HydrophobicContact CD-CG2 3.44Å; K513-V558 VanDerWaalsContact CD-CG2 3.44Å; K513-V558 VanDerWaalsContact CE-CG2 3.43Å; K513-V558 HydrophobicContact CG-CG2 3.9Å; K513-F560 PolarHBondContact NZ-O 3.36Å
514S87.9Confident89.3Confident56 Ų5644 Ų4439%0.39225%0.254SS..EExtended strand (participates in β ladder)trans-124.392.4175.3-166.50000108.7T516 H517S514-T516 PolarHBondContact O-N 3.15Å; S514-T516 VanDerWaalsContact O-N 3.15Å; S514-H517 PolarHBondContact N-O 3.13Å; S514-H517 WeakPolarHBondContact O-CB 3.42Å; S514-H517 PolarHBondContact O-N 3.34Å
515G87.5Confident90.2Very high62 Ų6243.3 Ų43.364%0.63925%0.249SC*.THydrogen-bonded Turntrans63-114.9-17000000111.5K513K513-G515 VanDerWaalsContact CE-O 3.31Å; K513-G515 WeakPolarHBondContact CE-O 3.48Å
516T89.4Confident91.1Very high76 Ų7640.2 Ų40.247%0.46622%0.224SC..THydrogen-bonded Turntrans-96.35.2175.353.90000113.2S514 R555 W556S514-T516 PolarHBondContact O-N 3.15Å; S514-T516 VanDerWaalsContact O-N 3.15Å; T516-R555 WeakPolarHBondContact O-CA 3.23Å; T516-W556 PolarHBondContact O-N 3.24Å
517H92.9Very high91.6Very high11 Ų1138.4 Ų38.45%0.05121%0.214CC..EExtended strand (participates in β ladder)trans-106149.2-176-64.465.8000110.5S514 E548 Q554S514-H517 PolarHBondContact N-O 3.13Å; S514-H517 WeakPolarHBondContact O-CB 3.42Å; S514-H517 PolarHBondContact O-N 3.34Å; H517-E548 PolarHBondContact NE2-O 3.32Å; H517-Q554 PolarHBondContact CD2-O 3.1Å
518L93.8Very high92Very high0 Ų037.5 Ų37.50%020%0.203CC..EExtended strand (participates in β ladder)trans-100.2105.1167-83.3174.5000108.1I433 I479 C526 L527 W556 V558 F560I433-L518 HydrophobicContact CD1-CD1 4.3Å; I433-L518 HydrophobicContact CG2-CD1 3.81Å; I479-L518 HydrophobicContact CD1-CD1 4.12Å; I479-L518 HydrophobicContact CD1-CD2 4Å; L518-C526 CarbonylContact O-C 3.49Å; L518-C526 VanDerWaalsContact O-CA 3.32Å; L518-C526 WeakPolarHBondContact O-CA 3.3Å; L518-L527 HydrophobicContact CB-CB 4.01Å; L518-L527 HydrophobicContact CB-CD2 4.47Å; L518-L527 HydrophobicContact CD1-CD2 3.96Å; L518-L527 PolarHBondContact O-N 3.29Å; L518-W556 HydrophobicContact CD1-CB 4.09Å; L518-W556 HydrophobicContact CD1-CG 4.06Å; L518-W556 HydrophobicContact CG-CB 4.2Å; L518-W556 HydrophobicContact CG-CG 4.34Å; L518-V558 HydrophobicContact CD1-CG1 3.83Å; L518-V558 HydrophobicContact CD2-CG1 3.94Å; L518-V558 HydrophobicContact CG-CG1 3.92Å; L518-F560 HydrophobicContact CD2-CE2 4.27Å
519E94.4Very high91.8Very high19 Ų1934.1 Ų34.19%0.08919%0.189CC..EExtended strand (participates in β ladder)trans-98.3129.1-176.1-175.3-165150.200110W511 Q512 I521 R524W511-E519 CarbonylContact C-O 3.59Å; W511-E519 WeakPolarHBondContact CA-O 3.48Å; Q512-E519 HydrophobicContact CG-CB 3.99Å; Q512-E519 PolarHBondContact N-O 2.94Å; Q512-E519 VanDerWaalsContact NE2-CD 3.29Å; Q512-E519 PolarHBondContact NE2-OE1 3.45Å; Q512-E519 PolarHBondContact NE2-OE2 3.24Å; Q512-E519 PolarHBondContact O-N 2.95Å; E519-I521 PolarHBondContact O-N 3.21Å; E519-R524 WeakPolarHBondContact OE1-CD 3.41Å; E519-R524 IonicContact OE1-CZ 3.73Å; E519-R524 IonicContact OE1-NE 3.79Å; E519-R524 IonicContact OE1-NH1 2.85Å; E519-R524 PolarHBondContact OE1-NH1 2.94Å
520H94.4Very high90.8Very high0 Ų039.1 Ų39.10%021%0.213CC..EExtended strand (participates in β ladder)trans-75.7122.1169.4175.2-107.3000110.1L488 G507 K508 R510 W511 V522 S523 R524 F525 I544L488-H520 HydrophobicContact CD1-CB 4.37Å; L488-H520 WeakPolarHBondContact CD1-CE1 3.47Å; L488-H520 VanDerWaalsContact CD1-ND1 3.33Å; L488-H520 WeakPolarHBondContact CD1-ND1 3.26Å; L488-H520 WeakPolarHBondContact CD1-NE2 3.46Å; G507-H520 PolarHBondContact O-NE2 2.77Å; K508-H520 WeakPolarHBondContact CA-NE2 3.11Å; K508-H520 PolarHBondContact O-NE2 3Å; R510-H520 WeakPolarHBondContact O-CA 3.39Å; R510-H520 PolarHBondContact O-CD2 2.88Å; W511-H520 HydrophobicContact CD2-CB 4.46Å; W511-H520 HydrophobicContact CE3-CB 3.91Å; W511-H520 HydrophobicContact CH2-CB 4.12Å; W511-H520 HydrophobicContact CZ3-CB 3.73Å; H520-V522 PolarHBondContact O-N 3.49Å; H520-S523 WeakPolarHBondContact ND1-CB 3.42Å; H520-S523 PolarHBondContact ND1-N 3.38Å; H520-S523 VanDerWaalsContact ND1-N 3.13Å; H520-S523 PolarHBondContact ND1-OG 2.96Å; H520-S523 PolarHBondContact O-N 3.21Å; H520-R524 WeakPolarHBondContact O-CA 3.38Å; H520-R524 PolarHBondContact O-N 3.39Å; H520-F525 PolarHBondContact N-O 3.3Å; H520-I544 HydrophobicContact CB-CG2 4.43Å
521I89.9Confident89.2Confident34 Ų3442.4 Ų42.417%0.17423%0.23CC..THydrogen-bonded Turntrans-63.4-39.1-165.7-63.9-174.8000112.4Q477 R510 Q512 E519 R524Q477-I521 HydrophobicContact CB-CD1 4.15Å; Q477-I521 VanDerWaalsContact OE1-CD1 3.26Å; R510-I521 HydrophobicContact CB-CB 3.98Å; R510-I521 HydrophobicContact CB-CD1 4.09Å; R510-I521 HydrophobicContact CB-CG1 4.2Å; R510-I521 PolarHBondContact O-N 3.18Å; Q512-I521 HydrophobicContact CB-CD1 4.05Å; Q512-I521 HydrophobicContact CB-CG1 3.97Å; Q512-I521 HydrophobicContact CG-CG1 3.94Å; E519-I521 PolarHBondContact O-N 3.21Å; I521-R524 PolarHBondContact O-NE 3.04Å
522V89.8Confident87.1Confident87 Ų8746 Ų4653%0.52726%0.26SS..THydrogen-bonded Turntrans-79-40.8-174.6176.90000112T491 G507 H520T491-V522 HydrophobicContact CG2-CG1 4.47Å; G507-V522 VanDerWaalsContact O-CG2 3.28Å; G507-V522 WeakPolarHBondContact O-CG2 3.23Å; H520-V522 PolarHBondContact O-N 3.49Å
523S91.9Very high84.8Confident18 Ų1850 Ų5013%0.12628%0.282CS..THydrogen-bonded Turntrans-89.8-17.4-177.864.80000113.9H520 F525H520-S523 WeakPolarHBondContact ND1-CB 3.42Å; H520-S523 PolarHBondContact ND1-N 3.38Å; H520-S523 VanDerWaalsContact ND1-N 3.13Å; H520-S523 PolarHBondContact ND1-OG 2.96Å; H520-S523 PolarHBondContact O-N 3.21Å; S523-F525 PolarHBondContact O-N 3.33Å; S523-F525 PolarHBondContact OG-N 3.38Å
524R93.6Very high82.4Confident137 Ų13754.4 Ų54.452%0.51731%0.309SS..  trans61.121.2-172.4-53.6-63-177-178.3-5.1113.8E519 H520 I521 C547E519-R524 WeakPolarHBondContact OE1-CD 3.41Å; E519-R524 IonicContact OE1-CZ 3.73Å; E519-R524 IonicContact OE1-NE 3.79Å; E519-R524 IonicContact OE1-NH1 2.85Å; E519-R524 PolarHBondContact OE1-NH1 2.94Å; H520-R524 WeakPolarHBondContact O-CA 3.38Å; H520-R524 PolarHBondContact O-N 3.39Å; I521-R524 PolarHBondContact O-NE 3.04Å; R524-C547 PolarHBondContact O-SG 3.24Å; R524-C547 VanDerWaalsContact O-SG 3.42Å
525F95Very high80.4Confident47 Ų4755.6 Ų55.621%0.20633%0.331CS..EExtended strand (participates in β ladder)trans-100.1153.7175.4-64.5-28.1000110.8P493 H520 S523 I544 S545 P546P493-F525 HydrophobicContact CB-CE2 4.32Å; P493-F525 HydrophobicContact CG-CD2 4.38Å; P493-F525 HydrophobicContact CG-CE2 3.56Å; P493-F525 HydrophobicContact CG-CZ 3.71Å; H520-F525 PolarHBondContact N-O 3.3Å; S523-F525 PolarHBondContact O-N 3.33Å; S523-F525 PolarHBondContact OG-N 3.38Å; F525-I544 HydrophobicContact CB-CB 3.95Å; F525-I544 HydrophobicContact CB-CD1 4.42Å; F525-I544 HydrophobicContact CD2-CD1 4.07Å; F525-S545 CarbonylContact C-O 3.06Å; F525-S545 WeakPolarHBondContact CA-O 3.44Å; F525-S545 VanDerWaalsContact CB-O 3.25Å; F525-S545 WeakPolarHBondContact CB-O 3.39Å; F525-P546 HydrophobicContact CD1-CG 4.46Å; F525-P546 HydrophobicContact CE1-CG 4.27Å
526C95.1Very high78.3Confident2 Ų259.8 Ų59.81%0.01434%0.335CS..EExtended strand (participates in β ladder)trans-99.9145.1-175.3-75.20000110.7L518 D528 I544 S545 C547 Q554L518-C526 CarbonylContact O-C 3.49Å; L518-C526 VanDerWaalsContact O-CA 3.32Å; L518-C526 WeakPolarHBondContact O-CA 3.3Å; C526-D528 PolarHBondContact O-N 2.93Å; C526-I544 WeakPolarHBondContact O-CA 3.32Å; C526-S545 PolarHBondContact N-O 2.97Å; C526-S545 PolarHBondContact O-N 3Å; C526-C547 HydrophobicContact CB-CB 3.99Å; C526-C547 WeakPolarHBondContact CB-SG 3.35Å; C526-C547 PolarHBondContact N-SG 3.08Å; C526-C547 WeakPolarHBondContact SG-CB 3.39Å; C526-C547 CovalentContact SG-SG 2.04Å; C526-C547 PolarHBondContact SG-SG 3.01Å; C526-Q554 HydrophobicContact CB-CB 4.49Å; C526-Q554 HydrophobicContact CB-CG 4.48Å
527L94.3Very high76.2Confident0 Ų064.8 Ų64.80%036%0.359CS..EExtended strand (participates in β ladder)trans-59.8125.5170.5-179.766.9000109V497 W511 L518 L542 Q554 W556V497-L527 HydrophobicContact CB-CD1 4.34Å; V497-L527 HydrophobicContact CG1-CD1 4.47Å; V497-L527 HydrophobicContact CG2-CD1 3.67Å; W511-L527 HydrophobicContact CH2-CD1 4.42Å; W511-L527 HydrophobicContact CZ3-CB 4.05Å; L518-L527 HydrophobicContact CB-CB 4.01Å; L518-L527 HydrophobicContact CB-CD2 4.47Å; L518-L527 HydrophobicContact CD1-CD2 3.96Å; L518-L527 PolarHBondContact O-N 3.29Å; L527-L542 HydrophobicContact CD1-CB 4.23Å; L527-L542 HydrophobicContact CD1-CD2 4.39Å; L527-Q554 WeakPolarHBondContact O-CA 3.5Å; L527-W556 HydrophobicContact CB-CZ2 4.49Å; L527-W556 HydrophobicContact CD2-CD2 4.13Å; L527-W556 HydrophobicContact CD2-CH2 4.11Å; L527-W556 HydrophobicContact CD2-CZ2 3.65Å; L527-W556 HydrophobicContact CG-CH2 4.44Å; L527-W556 HydrophobicContact CG-CZ2 3.65Å; L527-W556 PolarHBondContact O-NE1 3.02Å
528D92.5Very high73.8Confident9 Ų969.1 Ų69.15%0.04839%0.391CS..EExtended strand (participates in β ladder)trans-129.8137.4-174.4-156.9-27.1000110.1C526 E530 L542 V543 S545 T553 Q554C526-D528 PolarHBondContact O-N 2.93Å; D528-E530 WeakPolarHBondContact OD1-CB 3.45Å; D528-E530 PolarHBondContact OD1-N 2.97Å; D528-L542 WeakPolarHBondContact O-CA 3.5Å; D528-V543 HydrophobicContact CB-CG2 4.15Å; D528-V543 PolarHBondContact N-O 3.36Å; D528-V543 PolarHBondContact O-N 3.02Å; D528-S545 VanDerWaalsContact OD2-CB 3.26Å; D528-S545 WeakPolarHBondContact OD2-CB 3.43Å; D528-S545 PolarHBondContact OD2-OG 3.36Å; D528-T553 VanDerWaalsContact OD1-CB 3.26Å; D528-T553 WeakPolarHBondContact OD1-CB 3.3Å; D528-T553 PolarHBondContact OD1-OG1 3.4Å; D528-Q554 HydrophobicContact CB-CG 3.95Å; D528-Q554 WeakPolarHBondContact OD2-CG 3.4Å; D528-Q554 PolarHBondContact OD2-NE2 3.35Å
529S88.1Confident71.8Confident11 Ų1172.5 Ų72.58%0.07742%0.415CS..  trans-93.2-0.9173.962.60000113.4Q435 T553Q435-S529 VanDerWaalsContact OE1-CB 3.3Å; Q435-S529 PolarHBondContact OE1-OG 3.39Å; S529-T553 PolarHBondContact N-O 3.48Å; S529-T553 WeakPolarHBondContact OG-CB 3.32Å; S529-T553 PolarHBondContact OG-O 3.42Å
530E73.3Confident70.2Confident107 Ų10779.9 Ų79.950%0.544%0.442SS..  trans-102.491-178.4-159.3161.6-16800111.7D528 T553D528-E530 WeakPolarHBondContact OD1-CB 3.45Å; D528-E530 PolarHBondContact OD1-N 2.97Å; E530-T553 HydrophobicContact CB-CG2 3.92Å; E530-T553 HydrophobicContact CG-CG2 4.49Å; E530-T553 WeakPolarHBondContact OE2-CG2 3.39Å; E530-T553 PolarHBondContact OE2-OG1 2.99Å; E530-T553 VanDerWaalsContact OE2-OG1 3.14Å
531M57.2Low69.3Low82 Ų8282.5 Ų82.540%0.40445%0.454SS..  trans-157.498.5141.7-103.3-174.3-137.300108.9A494 V543A494-M531 HydrophobicContact CB-CE 3.47Å; A494-M531 VanDerWaalsContact CB-CE 3.47Å; A494-M531 HydrophobicContact CB-SD 3.42Å; A494-M531 WeakPolarHBondContact CB-SD 3.36Å; M531-V543 HydrophobicContact CB-CG1 4.43Å; M531-V543 HydrophobicContact CB-CG2 4.23Å
532A47.2Very low69.3Low77 Ų7781 Ų8164%0.63645%0.447SS*.  trans-79.2113.9154.500000106.2D534A532-D534 PolarHBondContact O-N 3.43Å
533L43.3Very low69.4Low133 Ų13377.2 Ų77.270%0.69642%0.424SS*.  trans-59.1128159.2-79.1161.5000106.5G535 M541L533-G535 PolarHBondContact O-N 2.98Å; L533-G535 VanDerWaalsContact O-N 3.15Å; L533-M541 HydrophobicContact CD1-CE 3.81Å
534D39.8Very low69.4Low174 Ų17476.3 Ų76.393%0.9342%0.418SS*.THydrogen-bonded Turntrans-36116.6-177.2-72.8-43.9000112.6A532A532-D534 PolarHBondContact O-N 3.43Å
535G45.1Very low69.4Low82 Ų8270.3 Ų70.385%0.84540%0.397SS*.THydrogen-bonded Turntrans104.82.1159.200000119.2L533L533-G535 PolarHBondContact O-N 2.98Å; L533-G535 VanDerWaalsContact O-N 3.15Å
536M44Very low69.3Low149 Ų14971.1 Ų71.173%0.73441%0.407SS*.  trans-127.1102.4170.8-107.2174.6179.600112.2S538M536-S538 PolarHBondContact O-N 3Å
537D43.9Very low69.2Low181 Ų18173.9 Ų73.997%0.96843%0.425SS*.THydrogen-bonded Turntrans-7122.9-173.7-135.2-1.8000114.4
538S42.9Very low69.1Low103 Ų10378.8 Ų78.872%0.7245%0.448SS*.THydrogen-bonded Turntrans-134.30.6-166.8650000117.7M536M536-S538 PolarHBondContact O-N 3Å
539S51.7Low68.8Low71 Ų7185.3 Ų85.350%0.49748%0.482SS..  trans-140.789.4170.9650000112.3M541S539-M541 PolarHBondContact O-N 3.32Å
540R61.4Low68.8Low173 Ų17389.2 Ų89.265%0.65351%0.51SS*.  trans-64.5101.1166.3-66.6-177.4-177.3176.21108.1
541M75.5Confident69.5Low55 Ų5584.8 Ų84.827%0.27149%0.491SS..  trans-81.5136.3174.6-73.1-171.1-79.600109.4L533 S539L533-M541 HydrophobicContact CD1-CE 3.81Å; S539-M541 PolarHBondContact O-N 3.32Å
542L89.4Confident71Confident4 Ų486.3 Ų86.32%0.02149%0.493CS..  trans-81.6127.9172.1-70.2160.1000108.7L440 L453 L455 V497 L527 D528 W556L440-L542 HydrophobicContact CD1-CD1 3.26Å; L453-L542 HydrophobicContact CB-CD1 4.36Å; L453-L542 HydrophobicContact CD2-CB 4.36Å; L453-L542 HydrophobicContact CD2-CD1 3.57Å; L453-L542 HydrophobicContact CG-CD1 3.59Å; L455-L542 HydrophobicContact CD1-CD2 4.21Å; L455-L542 HydrophobicContact CG-CD2 4.26Å; V497-L542 HydrophobicContact CB-CB 4.33Å; V497-L542 PolarHBondContact N-O 2.85Å; L527-L542 HydrophobicContact CD1-CB 4.23Å; L527-L542 HydrophobicContact CD1-CD2 4.39Å; D528-L542 WeakPolarHBondContact O-CA 3.5Å; L542-W556 HydrophobicContact CD2-CH2 3.75Å; L542-W556 HydrophobicContact CD2-CZ2 4.09Å
543V91.9Very high73Confident6 Ų683 Ų834%0.03647%0.465CS..EExtended strand (participates in β ladder)trans-130.6174.5-176.9-60.40000110.5S495 D528 M531S495-V543 CarbonylContact O-C 3.57Å; S495-V543 WeakPolarHBondContact O-CA 3.33Å; D528-V543 HydrophobicContact CB-CG2 4.15Å; D528-V543 PolarHBondContact N-O 3.36Å; D528-V543 PolarHBondContact O-N 3.02Å; M531-V543 HydrophobicContact CB-CG1 4.43Å; M531-V543 HydrophobicContact CB-CG2 4.23Å
544I93.2Very high75.4Confident0 Ų076.8 Ų76.80%043%0.432CS..EExtended strand (participates in β ladder)trans-105.1131.5165.446.8156.6000111.1L488 F492 P493 A494 S495 V497 W511 H520 F525 C526L488-I544 HydrophobicContact CD1-CD1 3.45Å; L488-I544 VanDerWaalsContact CD1-CD1 3.45Å; L488-I544 HydrophobicContact CD1-CG1 4.29Å; L488-I544 HydrophobicContact CD1-CG2 4.37Å; L488-I544 HydrophobicContact CD2-CB 4.43Å; L488-I544 HydrophobicContact CD2-CD1 4.09Å; L488-I544 HydrophobicContact CD2-CG1 4.01Å; L488-I544 HydrophobicContact CD2-CG2 3.56Å; L488-I544 HydrophobicContact CG-CD1 4.35Å; F492-I544 WeakPolarHBondContact O-CD1 3.42Å; P493-I544 CarbonylContact C-O 3.29Å; A494-I544 PolarHBondContact N-O 3.24Å; S495-I544 WeakPolarHBondContact O-CG1 3.38Å; S495-I544 PolarHBondContact O-N 3.34Å; V497-I544 HydrophobicContact CG2-CG2 4.24Å; W511-I544 HydrophobicContact CH2-CG2 3.74Å; W511-I544 HydrophobicContact CZ3-CG2 4.11Å; H520-I544 HydrophobicContact CB-CG2 4.43Å; F525-I544 HydrophobicContact CB-CB 3.95Å; F525-I544 HydrophobicContact CB-CD1 4.42Å; F525-I544 HydrophobicContact CD2-CD1 4.07Å; C526-I544 WeakPolarHBondContact O-CA 3.32Å
545S92.8Very high77.9Confident10 Ų1074.4 Ų74.47%0.0741%0.41CS..EExtended strand (participates in β ladder)trans-130.3158.5179.7-66.40000111F525 C526 D528 C547F525-S545 CarbonylContact C-O 3.06Å; F525-S545 WeakPolarHBondContact CA-O 3.44Å; F525-S545 VanDerWaalsContact CB-O 3.25Å; F525-S545 WeakPolarHBondContact CB-O 3.39Å; C526-S545 PolarHBondContact N-O 2.97Å; C526-S545 PolarHBondContact O-N 3Å; D528-S545 VanDerWaalsContact OD2-CB 3.26Å; D528-S545 WeakPolarHBondContact OD2-CB 3.43Å; D528-S545 PolarHBondContact OD2-OG 3.36Å; S545-C547 PolarHBondContact O-N 3.28Å
546P93.7Very high80.1Confident65 Ų6570.8 Ų70.842%0.42237%0.371SS..EExtended strand (participates in β ladder)trans-47.8133.7169-27.236.3000111.1F525 E548 Q554F525-P546 HydrophobicContact CD1-CG 4.46Å; F525-P546 HydrophobicContact CE1-CG 4.27Å; P546-E548 PolarHBondContact O-N 2.94Å; P546-Q554 PolarHBondContact O-NE2 3.28Å; P546-Q554 PolarHBondContact O-OE1 3.43Å
547C92.6Very high82.4Confident59 Ų5969.4 Ų69.440%0.39936%0.363SS..  trans-68.2117.2-175.3-67.60000111.1R524 C526 S545R524-C547 PolarHBondContact O-SG 3.24Å; R524-C547 VanDerWaalsContact O-SG 3.42Å; C526-C547 HydrophobicContact CB-CB 3.99Å; C526-C547 WeakPolarHBondContact CB-SG 3.35Å; C526-C547 PolarHBondContact N-SG 3.08Å; C526-C547 WeakPolarHBondContact SG-CB 3.39Å; C526-C547 CovalentContact SG-SG 2.04Å; C526-C547 PolarHBondContact SG-SG 3.01Å; S545-C547 PolarHBondContact O-N 3.28Å
548E92.1Very high84.5Confident104 Ų10461.6 Ų61.649%0.48632%0.322SS..  trans-119.2125.7-180-72.2-172.8-166.400111.2H517 P546 S550 A551H517-E548 PolarHBondContact NE2-O 3.32Å; P546-E548 PolarHBondContact O-N 2.94Å; E548-S550 VanDerWaalsContact C-N 3.31Å; E548-S550 PolarHBondContact O-N 2.98Å; E548-A551 HydrophobicContact CB-CB 3.77Å; E548-A551 PolarHBondContact O-N 3.48Å
549L86Confident86.2Confident145 Ų14559 Ų5976%0.75930%0.302SS*.SBendtrans-69.3-30.2-178.7-65.7173.7000112.8R555L549-R555 PolarHBondContact O-NH2 3.34Å
550S87.5Confident87.3Confident94 Ų9455.9 Ų55.966%0.65728%0.28SS*.SBendtrans-79.8-24.9179.142.10000113.5E548 Y552E548-S550 VanDerWaalsContact C-N 3.31Å; E548-S550 PolarHBondContact O-N 2.98Å; S550-Y552 PolarHBondContact O-N 3.01Å; S550-Y552 VanDerWaalsContact O-N 3.16Å
551A88.5Confident87.1Confident13 Ų1354.7 Ų54.711%0.10730%0.298CS..  trans-68.1112.4-17700000110.5E548 T553 Q554E548-A551 HydrophobicContact CB-CB 3.77Å; E548-A551 PolarHBondContact O-N 3.48Å; A551-T553 PolarHBondContact O-N 3.31Å; A551-Q554 HydrophobicContact CB-CB 4.32Å; A551-Q554 HydrophobicContact CB-CG 4.01Å; A551-Q554 PolarHBondContact O-N 3.48Å
552Y87.9Confident87.7Confident114 Ų11454.7 Ų54.745%0.44730%0.3SS..G310 helixtrans-72-21.3177.163.4-97.2000112.4R436 S550 Q554 R555R436-Y552 VanDerWaalsContact CZ-CD2 3.43Å; R436-Y552 VanDerWaalsContact NH2-CB 3.28Å; S550-Y552 PolarHBondContact O-N 3.01Å; S550-Y552 VanDerWaalsContact O-N 3.16Å; Y552-Q554 PolarHBondContact O-N 3.43Å; Y552-R555 PolarHBondContact O-N 3.11Å
553T89.8Confident87.6Confident8 Ų857.4 Ų57.45%0.04931%0.314CS..G310 helixtrans-74.3-9.6176.946.20000113.5Q435 D528 S529 E530 A551Q435-T553 PolarHBondContact NE2-O 3.05Å; D528-T553 VanDerWaalsContact OD1-CB 3.26Å; D528-T553 WeakPolarHBondContact OD1-CB 3.3Å; D528-T553 PolarHBondContact OD1-OG1 3.4Å; S529-T553 PolarHBondContact N-O 3.48Å; S529-T553 WeakPolarHBondContact OG-CB 3.32Å; S529-T553 PolarHBondContact OG-O 3.42Å; E530-T553 HydrophobicContact CB-CG2 3.92Å; E530-T553 HydrophobicContact CG-CG2 4.49Å; E530-T553 WeakPolarHBondContact OE2-CG2 3.39Å; E530-T553 PolarHBondContact OE2-OG1 2.99Å; E530-T553 VanDerWaalsContact OE2-OG1 3.14Å; A551-T553 PolarHBondContact O-N 3.31Å
554Q92.8Very high87.4Confident2 Ų260.2 Ų60.21%0.00933%0.33CS..G310 helixtrans-108.25.1173.4-60.1-176.3300113.7H517 C526 L527 D528 P546 A551 Y552 W556H517-Q554 PolarHBondContact CD2-O 3.1Å; C526-Q554 HydrophobicContact CB-CB 4.49Å; C526-Q554 HydrophobicContact CB-CG 4.48Å; L527-Q554 WeakPolarHBondContact O-CA 3.5Å; D528-Q554 HydrophobicContact CB-CG 3.95Å; D528-Q554 WeakPolarHBondContact OD2-CG 3.4Å; D528-Q554 PolarHBondContact OD2-NE2 3.35Å; P546-Q554 PolarHBondContact O-NE2 3.28Å; P546-Q554 PolarHBondContact O-OE1 3.43Å; A551-Q554 HydrophobicContact CB-CB 4.32Å; A551-Q554 HydrophobicContact CB-CG 4.01Å; A551-Q554 PolarHBondContact O-N 3.48Å; Y552-Q554 PolarHBondContact O-N 3.43Å; Q554-W556 PolarHBondContact O-NE1 3.43Å
555R92.7Very high87.1Confident124 Ų12463.8 Ų63.847%0.46835%0.349SS..  trans-91.6123.1178.7-64.7-177.8-173.4-174.8-0110.5Q435 T516 L549 Y552Q435-R555 PolarHBondContact NE2-O 3.48Å; T516-R555 WeakPolarHBondContact O-CA 3.23Å; L549-R555 PolarHBondContact O-NH2 3.34Å; Y552-R555 PolarHBondContact O-N 3.11Å
556W92.4Very high86.7Confident6 Ų667.1 Ų67.12%0.02337%0.367CS..  trans-130.7128.5-175.8-56.895.8000110.5I433 R434 Q435 L455 T516 L518 L527 L542 Q554 V558I433-W556 HydrophobicContact CG2-CB 4.45Å; I433-W556 HydrophobicContact CG2-CD2 4.33Å; I433-W556 HydrophobicContact CG2-CE3 3.66Å; I433-W556 HydrophobicContact CG2-CZ3 4.32Å; R434-W556 CarbonylContact O-C 3.57Å; R434-W556 WeakPolarHBondContact O-CA 3.35Å; Q435-W556 HydrophobicContact CB-CD2 4.44Å; Q435-W556 HydrophobicContact CB-CE3 3.72Å; Q435-W556 HydrophobicContact CB-CH2 4.2Å; Q435-W556 HydrophobicContact CB-CZ3 3.59Å; Q435-W556 VanDerWaalsContact NE2-CZ2 3.32Å; L455-W556 HydrophobicContact CD1-CH2 4.29Å; L455-W556 HydrophobicContact CD2-CH2 3.87Å; L455-W556 HydrophobicContact CD2-CZ3 3.79Å; T516-W556 PolarHBondContact O-N 3.24Å; L518-W556 HydrophobicContact CD1-CB 4.09Å; L518-W556 HydrophobicContact CD1-CG 4.06Å; L518-W556 HydrophobicContact CG-CB 4.2Å; L518-W556 HydrophobicContact CG-CG 4.34Å; L527-W556 HydrophobicContact CB-CZ2 4.49Å; L527-W556 HydrophobicContact CD2-CD2 4.13Å; L527-W556 HydrophobicContact CD2-CH2 4.11Å; L527-W556 HydrophobicContact CD2-CZ2 3.65Å; L527-W556 HydrophobicContact CG-CH2 4.44Å; L527-W556 HydrophobicContact CG-CZ2 3.65Å; L527-W556 PolarHBondContact O-NE1 3.02Å; L542-W556 HydrophobicContact CD2-CH2 3.75Å; L542-W556 HydrophobicContact CD2-CZ2 4.09Å; Q554-W556 PolarHBondContact O-NE1 3.43Å; W556-V558 HydrophobicContact CB-CG1 4.28Å
557E91.2Very high86.2Confident121 Ų12167.3 Ų67.357%0.56536%0.363SS*.BIsolated β-bridgetrans-87.6120.8164.3-69.9173.2-166.400107.8I433 R434I433-E557 WeakPolarHBondContact CA-O 3.49Å; R434-E557 HydrophobicContact CB-CB 4.17Å; R434-E557 PolarHBondContact N-O 3.34Å; R434-E557 PolarHBondContact O-N 3.25Å
558V89Confident85.8Confident17 Ų1767.9 Ų67.910%0.10336%0.36CS..  trans-122.2142.1-178.6-61.10000110.3I433 K513 L518 W556 F560I433-V558 HydrophobicContact CG1-CG1 4.18Å; I433-V558 HydrophobicContact CG2-CG1 4.13Å; K513-V558 HydrophobicContact CB-CG2 4.47Å; K513-V558 HydrophobicContact CD-CG2 3.44Å; K513-V558 VanDerWaalsContact CD-CG2 3.44Å; K513-V558 VanDerWaalsContact CE-CG2 3.43Å; K513-V558 HydrophobicContact CG-CG2 3.9Å; L518-V558 HydrophobicContact CD1-CG1 3.83Å; L518-V558 HydrophobicContact CD2-CG1 3.94Å; L518-V558 HydrophobicContact CG-CG1 3.92Å; W556-V558 HydrophobicContact CB-CG1 4.28Å; V558-F560 HydrophobicContact CB-CD1 4.5Å; V558-F560 HydrophobicContact CB-CD2 4.15Å; V558-F560 HydrophobicContact CB-CE1 4.11Å; V558-F560 HydrophobicContact CB-CE2 3.75Å; V558-F560 HydrophobicContact CB-CZ 3.72Å; V558-F560 HydrophobicContact CG1-CE2 4.15Å; V558-F560 HydrophobicContact CG1-CZ 3.94Å; V558-F560 HydrophobicContact CG2-CD2 4.04Å; V558-F560 HydrophobicContact CG2-CE2 3.89Å; V558-F560 HydrophobicContact CG2-CZ 4.38Å; V558-F560 PolarHBondContact O-N 3.48Å
559P77.9Confident85.3Confident47 Ų4765.1 Ų65.131%0.30535%0.351SS..SBendtrans-78.9-5.2-173.434.5-38.1000113Q429 V432Q429-P559 PolarHBondContact OE1-O 3.21Å; Q429-P559 VanDerWaalsContact OE1-O 3.04Å; V432-P559 WeakPolarHBondContact O-CD 3.49Å
560F75.1Confident85.2Confident7 Ų758.4 Ų58.43%0.03132%0.317CS..  trans-114.3154.7-175.942.6-98.6000112.2Q429 I433 Y473 I479 K513 L518 V558Q429-F560 HydrophobicContact CB-CB 4.49Å; I433-F560 HydrophobicContact CD1-CE1 4.26Å; I433-F560 HydrophobicContact CD1-CZ 4.07Å; I433-F560 HydrophobicContact CG1-CE1 4.23Å; I433-F560 HydrophobicContact CG1-CZ 4.31Å; Y473-F560 HydrophobicContact CD1-CB 4.08Å; Y473-F560 AromaticContact CD1-CD2 3.72Å; Y473-F560 HydrophobicContact CD1-CD2 3.72Å; Y473-F560 HydrophobicContact CD1-CE2 4.35Å; Y473-F560 AromaticContact CD1-CG 3.96Å; Y473-F560 HydrophobicContact CD1-CG 3.96Å; Y473-F560 AromaticContact CD2-CD2 3.97Å; Y473-F560 HydrophobicContact CD2-CD2 3.97Å; Y473-F560 AromaticContact CD2-CE2 3.75Å; Y473-F560 HydrophobicContact CD2-CE2 3.75Å; Y473-F560 HydrophobicContact CD2-CZ 4.15Å; Y473-F560 HydrophobicContact CE1-CD2 4.33Å; Y473-F560 HydrophobicContact CE2-CE2 4.34Å; Y473-F560 HydrophobicContact CG-CB 4.28Å; Y473-F560 HydrophobicContact CG-CD1 4.13Å; Y473-F560 AromaticContact CG-CD2 3.49Å; Y473-F560 HydrophobicContact CG-CD2 3.49Å; Y473-F560 VanDerWaalsContact CG-CD2 3.49Å; Y473-F560 HydrophobicContact CG-CE1 4.37Å; Y473-F560 AromaticContact CG-CE2 3.74Å; Y473-F560 HydrophobicContact CG-CE2 3.74Å; Y473-F560 AromaticContact CG-CG 3.71Å; Y473-F560 HydrophobicContact CG-CG 3.71Å; Y473-F560 HydrophobicContact CG-CZ 4.19Å; I479-F560 HydrophobicContact CD1-CZ 4.45Å; I479-F560 HydrophobicContact CG1-CZ 4.31Å; K513-F560 PolarHBondContact NZ-O 3.36Å; L518-F560 HydrophobicContact CD2-CE2 4.27Å; V558-F560 HydrophobicContact CB-CD1 4.5Å; V558-F560 HydrophobicContact CB-CD2 4.15Å; V558-F560 HydrophobicContact CB-CE1 4.11Å; V558-F560 HydrophobicContact CB-CE2 3.75Å; V558-F560 HydrophobicContact CB-CZ 3.72Å; V558-F560 HydrophobicContact CG1-CE2 4.15Å; V558-F560 HydrophobicContact CG1-CZ 3.94Å; V558-F560 HydrophobicContact CG2-CD2 4.04Å; V558-F560 HydrophobicContact CG2-CE2 3.89Å; V558-F560 HydrophobicContact CG2-CZ 4.38Å; V558-F560 PolarHBondContact O-N 3.48Å
561S58.1Low85Confident148 Ų14855.2 Ų55.2100%1.03529%0.286SS*.  trans-112.30-175.565.40000113.8

Retrieved 561 of 561 residues in 612.7 ms (Link to these results)

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