A0A087X6A8_POEFO Loading...

GTF2I repeat domain containing 1

AlphaFold DB , UniProt , Accession A0A087X6A8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,001 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
1M36.3Very low29.4Very low243 Ų243145 Ų145100%1.19780%0.802SS**  0143.30-60.9173.1-174.900107.8
2A30.9Very low29.2Very low92 Ų92145.7 Ų145.776%0.7680%0.802SS**  trans-63.2142.8-178.200000111.3
3Q32.4Very low29.2Very low166 Ų166152.4 Ų152.478%0.77681%0.808SS**  cis72.8134.146-67.2-168-500114.5
4M30.8Very low28.9Very low126 Ų126149.1 Ų149.162%0.62181%0.813SS**  cis-161.7137.4-21-125-159.9-56.900113.2
5R33.9Very low29Very low209 Ų209146.5 Ų146.579%0.78981%0.81SS**  trans38.1139.3132.6-72.2-179.5179.6144.4-6.1124.3
6K31.8Very low29.2Very low170 Ų170144.4 Ų144.474%0.73981%0.809SS**  93.7118.8126.4-92.3-168.3165.5-160.40123.2
7L26.3Very low29.8Very low143 Ų143150.7 Ų150.775%0.74982%0.817SS**  64.3135.4119.3-77.1177.7000125.1
8A25.4Very low30Very low94 Ų94146.6 Ų146.678%0.77782%0.815SS**  84.5170.7129.500000121.6
9C26.2Very low30.3Very low111 Ų111146.3 Ų146.375%0.7581%0.807SS**  trans-99.1176.5-165.6-54.20000114.2
10D23.6Very low30.7Very low166 Ų166144.7 Ų144.789%0.88880%0.804SS**  trans72.7140.9162.3-63.1-57.8000118.6
11G25.9Very low31.2Very low75 Ų75144.3 Ų144.377%0.77380%0.796SS**  trans176.3-3.1-173.900000120
12L27.2Very low31.7Very low153 Ų153136.7 Ų136.780%0.80176%0.763SS**  trans47.1109.7162.3-70.2169.4000121.6
13R29.1Very low32.5Very low233 Ų233139.8 Ų139.888%0.87976%0.761SS**  66.1107.4123.9-170.5-162.8-70.6-169.8-3120.8
14A25.4Very low33.3Very low107 Ų107138.3 Ų138.388%0.88476%0.758SS**  trans-149.7159.6141.300000110.8
15S29.2Very low34.4Very low109 Ų109137.2 Ų137.276%0.76275%0.754SS**  trans-119.9136.2-157.8148.50000116.8
16S32Very low35.6Very low114 Ų114130.1 Ų130.180%0.79774%0.737SS**  trans-164.9120.5137.846.10000108.9
17R40.4Very low37.2Very low251 Ų251123.9 Ų123.995%0.94772%0.717SS**  74.3110.365.9-94.3-165.4175-1630.6115
18G33.7Very low39.2Very low76 Ų76122.5 Ų122.578%0.78470%0.702SS**  trans107.8129.6179.900000111.9
19E34.9Very low41.4Very low142 Ų142123 Ų12366%0.66469%0.688SS**  cis-142.1140.3-4.8-65.7-176.886.200110.8V22E19-V22 WeakPolarHBondContact OE2-CG2 3.12Å
20P39.5Very low43.8Very low114 Ų114123.1 Ų123.174%0.7468%0.678SS**SBendtrans-94.1-16.3166.3-5.224.6000113.7
21Q41.3Very low46.6Very low137 Ų137120.9 Ų120.964%0.6467%0.665SS**Hα-helixtrans-81.3-32.9-160.5-167.6159.9-15.500113.5Q23 L24 L25Q21-Q23 PolarHBondContact O-N 2.75Å; Q21-L24 PolarHBondContact O-N 3.11Å; Q21-L25 HydrophobicContact CG-CD1 4.31Å; Q21-L25 WeakPolarHBondContact O-CG 3.19Å; Q21-L25 PolarHBondContact O-N 3.01Å
22V46.2Very low49.2Very low82 Ų82118.2 Ų118.250%0.49763%0.632SS.*Hα-helixtrans-62.3-41.2179.2-179.90000111.9E19 L24 L25 S26E19-V22 WeakPolarHBondContact OE2-CG2 3.12Å; V22-L24 PolarHBondContact O-N 3.16Å; V22-L25 PolarHBondContact O-N 2.89Å; V22-S26 PolarHBondContact O-N 3.21Å
23Q46.5Very low51.8Low157 Ų157114.6 Ų114.673%0.73462%0.617SS**Hα-helixtrans-66.1-37.5-179-68.4-176.5-10.800112.7Q21 S26 A27Q21-Q23 PolarHBondContact O-N 2.75Å; Q23-S26 PolarHBondContact O-N 3.08Å; Q23-A27 PolarHBondContact O-N 2.84Å
24L49.5Very low54.4Low135 Ų135107.3 Ų107.371%0.70760%0.602SS**Hα-helixtrans-71.4-34.3177.6-172.863.6000112.2Q21 V22 R28Q21-L24 PolarHBondContact O-N 3.11Å; V22-L24 PolarHBondContact O-N 3.16Å; L24-R28 PolarHBondContact O-N 3.45Å
25L53.6Low57.2Low103 Ų103106.7 Ų106.754%0.53958%0.583SS.*Hα-helixtrans-69-39.4174.2-69.2171.6000111.7Q21 V22 R28 Q29Q21-L25 HydrophobicContact CG-CD1 4.31Å; Q21-L25 WeakPolarHBondContact O-CG 3.19Å; Q21-L25 PolarHBondContact O-N 3.01Å; V22-L25 PolarHBondContact O-N 2.89Å; L25-R28 PolarHBondContact O-N 3.07Å; L25-Q29 WeakPolarHBondContact O-CB 3.47Å; L25-Q29 PolarHBondContact O-N 2.98Å
26S59.9Low59.9Low60 Ų60102.8 Ų102.842%0.4255%0.554SS.*Hα-helixtrans-56.9-55.5173.4-162.60000111.1V22 Q23 R28 Q29 E30V22-S26 PolarHBondContact O-N 3.21Å; Q23-S26 PolarHBondContact O-N 3.08Å; S26-R28 VanDerWaalsContact C-N 3.26Å; S26-R28 PolarHBondContact O-N 3.16Å; S26-Q29 CarbonylContact O-C 3.11Å; S26-Q29 PolarHBondContact O-N 3.29Å; S26-E30 WeakPolarHBondContact CB-OE1 3.4Å; S26-E30 VanDerWaalsContact O-CG 3.3Å; S26-E30 WeakPolarHBondContact O-CG 3.49Å; S26-E30 PolarHBondContact O-N 3.38Å; S26-E30 PolarHBondContact OG-OE1 3.32Å
27A65Low62.5Low40 Ų40101.1 Ų101.133%0.33154%0.543SS..Hα-helixtrans-57.3-37.4179.900000113.1Q23 E30 I31Q23-A27 PolarHBondContact O-N 2.84Å; A27-E30 PolarHBondContact N-OE1 2.7Å; A27-I31 WeakPolarHBondContact O-CD1 3.42Å; A27-I31 VanDerWaalsContact O-CG1 3.24Å; A27-I31 WeakPolarHBondContact O-CG1 3.19Å; A27-I31 PolarHBondContact O-N 2.91Å
28R69Low64.8Low113 Ų11391.8 Ų91.843%0.42652%0.52SS..Hα-helixtrans-68.8-40.2175.6-171.4177.3177.7-159.2-1.3112.3L24 L25 S26 I31 L32 H59 E60L24-R28 PolarHBondContact O-N 3.45Å; L25-R28 PolarHBondContact O-N 3.07Å; S26-R28 VanDerWaalsContact C-N 3.26Å; S26-R28 PolarHBondContact O-N 3.16Å; R28-I31 PolarHBondContact O-N 3.5Å; R28-L32 PolarHBondContact O-N 3.04Å; R28-H59 PolarHBondContact NE-NE2 3.16Å; R28-H59 PolarHBondContact NH2-NE2 3.18Å; R28-E60 IonicContact CZ-OE1 3.48Å; R28-E60 IonicContact CZ-OE2 2.72Å; R28-E60 IonicContact NH1-OE1 2.64Å; R28-E60 PolarHBondContact NH1-OE1 2.82Å; R28-E60 IonicContact NH1-OE2 2.64Å; R28-E60 IonicContact NH2-OE1 3.95Å; R28-E60 PolarHBondContact NH2-OE1 2.89Å; R28-E60 IonicContact NH2-OE2 3.45Å
29Q71.9Confident67.4Low105 Ų10590.9 Ų90.949%0.49150%0.496SS..Hα-helixtrans-69.3-36.1176.7-174.658.632.200111.9L25 S26 L32 T33L25-Q29 WeakPolarHBondContact O-CB 3.47Å; L25-Q29 PolarHBondContact O-N 2.98Å; S26-Q29 CarbonylContact O-C 3.11Å; S26-Q29 PolarHBondContact O-N 3.29Å; Q29-L32 PolarHBondContact O-N 2.82Å; Q29-T33 PolarHBondContact NE2-OG1 3.22Å; Q29-T33 VanDerWaalsContact O-CB 3.31Å; Q29-T33 WeakPolarHBondContact O-CB 3.4Å; Q29-T33 PolarHBondContact O-N 2.67Å; Q29-T33 PolarHBondContact O-OG1 3.23Å
30E76.6Confident69.8Low113 Ų11385.6 Ų85.653%0.52847%0.473SS..Hα-helixtrans-62.3-46172.9-70.8157.4-132.700111.2S26 A27 T33 S34S26-E30 WeakPolarHBondContact CB-OE1 3.4Å; S26-E30 VanDerWaalsContact O-CG 3.3Å; S26-E30 WeakPolarHBondContact O-CG 3.49Å; S26-E30 PolarHBondContact O-N 3.38Å; S26-E30 PolarHBondContact OG-OE1 3.32Å; A27-E30 PolarHBondContact N-OE1 2.7Å; E30-T33 PolarHBondContact O-N 3.08Å; E30-S34 VanDerWaalsContact O-CB 3.26Å; E30-S34 WeakPolarHBondContact O-CB 3.32Å; E30-S34 PolarHBondContact O-N 3.21Å
31I80.8Confident72.1Confident120 Ų12083.8 Ų83.862%0.61546%0.463SS*.Hα-helixtrans-61.1-46.1174.7-70163.5000111.2A27 R28 S34 L35A27-I31 WeakPolarHBondContact O-CD1 3.42Å; A27-I31 VanDerWaalsContact O-CG1 3.24Å; A27-I31 WeakPolarHBondContact O-CG1 3.19Å; A27-I31 PolarHBondContact O-N 2.91Å; R28-I31 PolarHBondContact O-N 3.5Å; I31-S34 PolarHBondContact O-N 2.97Å; I31-L35 WeakPolarHBondContact O-CB 3.46Å; I31-L35 PolarHBondContact O-N 2.94Å
32L81.1Confident74.4Confident18 Ų1881.2 Ų81.29%0.09446%0.456CS..Hα-helixtrans-61.4-45.6177.4-179.862000111.5R28 Q29 S34 L35 V36 H59R28-L32 PolarHBondContact O-N 3.04Å; Q29-L32 PolarHBondContact O-N 2.82Å; L32-S34 PolarHBondContact O-N 3.28Å; L32-L35 PolarHBondContact O-N 3.19Å; L32-V36 HydrophobicContact CD1-CG2 4.3Å; L32-V36 WeakPolarHBondContact O-CB 3.21Å; L32-V36 VanDerWaalsContact O-CG2 3.26Å; L32-V36 WeakPolarHBondContact O-CG2 3.48Å; L32-V36 PolarHBondContact O-N 2.87Å; L32-H59 HydrophobicContact CD1-CB 3.96Å; L32-H59 HydrophobicContact CD2-CB 4.2Å
33T81.3Confident76.4Confident77 Ų7777.4 Ų77.447%0.47243%0.433SS..Hα-helixtrans-65-39.7179.3-53.60000111.4Q29 E30 S37Q29-T33 PolarHBondContact NE2-OG1 3.22Å; Q29-T33 VanDerWaalsContact O-CB 3.31Å; Q29-T33 WeakPolarHBondContact O-CB 3.4Å; Q29-T33 PolarHBondContact O-N 2.67Å; Q29-T33 PolarHBondContact O-OG1 3.23Å; E30-T33 PolarHBondContact O-N 3.08Å; T33-S37 VanDerWaalsContact O-CB 3.24Å; T33-S37 WeakPolarHBondContact O-CB 3.5Å; T33-S37 PolarHBondContact O-N 3.18Å
34S84.7Confident78.1Confident81 Ų8175.2 Ų75.257%0.56642%0.424SS*.Hα-helixtrans-62.3-45.4174.1-174.90000112E30 I31 L32 S37 A38E30-S34 VanDerWaalsContact O-CB 3.26Å; E30-S34 WeakPolarHBondContact O-CB 3.32Å; E30-S34 PolarHBondContact O-N 3.21Å; I31-S34 PolarHBondContact O-N 2.97Å; L32-S34 PolarHBondContact O-N 3.28Å; S34-S37 PolarHBondContact O-N 3.41Å; S34-A38 WeakPolarHBondContact O-CB 3.17Å; S34-A38 PolarHBondContact O-N 3.12Å
35L83.9Confident79.9Confident93 Ų9371.2 Ų71.249%0.48741%0.411SS..Hα-helixtrans-65.5-42.8177.6-172.8120.4000112.3I31 L32 A38 L39I31-L35 WeakPolarHBondContact O-CB 3.46Å; I31-L35 PolarHBondContact O-N 2.94Å; L32-L35 PolarHBondContact O-N 3.19Å; L35-A38 PolarHBondContact O-N 3.23Å; L35-L39 HydrophobicContact CD2-CD1 3.85Å; L35-L39 HydrophobicContact CG-CD1 4.35Å; L35-L39 WeakPolarHBondContact O-CB 3.4Å; L35-L39 VanDerWaalsContact O-CG 3.32Å; L35-L39 WeakPolarHBondContact O-CG 3.17Å; L35-L39 PolarHBondContact O-N 3.41Å
36V87Confident81.2Confident27 Ų2770.1 Ų70.116%0.16440%0.404CS..Hα-helixtrans-62.7-42.6175.2168.40000111.1L32 L39 D40 I64 V66L32-V36 HydrophobicContact CD1-CG2 4.3Å; L32-V36 WeakPolarHBondContact O-CB 3.21Å; L32-V36 VanDerWaalsContact O-CG2 3.26Å; L32-V36 WeakPolarHBondContact O-CG2 3.48Å; L32-V36 PolarHBondContact O-N 2.87Å; V36-L39 PolarHBondContact O-N 3.11Å; V36-D40 PolarHBondContact O-N 3Å; V36-I64 HydrophobicContact CG1-CG2 3.94Å; V36-I64 HydrophobicContact CG2-CD1 3.92Å; V36-I64 HydrophobicContact CG2-CG2 4.25Å; V36-V66 HydrophobicContact CG1-CG1 3.7Å
37S86.4Confident82.3Confident79 Ų7969.7 Ų69.755%0.55240%0.401SS*.Hα-helixtrans-64-42.9175.3-176.80000112.4T33 S34 L39 D40 S41T33-S37 VanDerWaalsContact O-CB 3.24Å; T33-S37 WeakPolarHBondContact O-CB 3.5Å; T33-S37 PolarHBondContact O-N 3.18Å; S34-S37 PolarHBondContact O-N 3.41Å; S37-L39 PolarHBondContact O-N 3.04Å; S37-D40 PolarHBondContact O-N 3.48Å; S37-S41 VanDerWaalsContact O-CB 3.27Å; S37-S41 WeakPolarHBondContact O-CB 3.47Å; S37-S41 PolarHBondContact O-N 3.42Å
38A87.9Confident83.1Confident56 Ų5675.9 Ų75.946%0.46342%0.42SS..Hα-helixtrans-62.4-41.3174.600000112S34 L35 S41 V42S34-A38 WeakPolarHBondContact O-CB 3.17Å; S34-A38 PolarHBondContact O-N 3.12Å; L35-A38 PolarHBondContact O-N 3.23Å; A38-S41 PolarHBondContact O-N 3.45Å; A38-V42 WeakPolarHBondContact O-CG2 3.34Å; A38-V42 PolarHBondContact O-N 2.97Å
39L88.1Confident83.7Confident56 Ų5676.1 Ų76.129%0.29343%0.429SS..Hα-helixtrans-65.6-43.9176.2-74.2167.1000112.6L35 V36 S37 V42 C43 V66L35-L39 HydrophobicContact CD2-CD1 3.85Å; L35-L39 HydrophobicContact CG-CD1 4.35Å; L35-L39 WeakPolarHBondContact O-CB 3.4Å; L35-L39 VanDerWaalsContact O-CG 3.32Å; L35-L39 WeakPolarHBondContact O-CG 3.17Å; L35-L39 PolarHBondContact O-N 3.41Å; V36-L39 PolarHBondContact O-N 3.11Å; S37-L39 PolarHBondContact O-N 3.04Å; L39-V42 PolarHBondContact O-N 3.21Å; L39-C43 PolarHBondContact O-N 3.08Å; L39-C43 PolarHBondContact O-SG 3.1Å; L39-V66 HydrophobicContact CB-CG2 3.78Å
40D85.8Confident84.3Confident31 Ų3178.4 Ų78.417%0.16645%0.445CS..Hα-helixtrans-66.6-38.9176.4-153.863.8000111.1V36 S37 V42 C43 M44 V66 G67 R72V36-D40 PolarHBondContact O-N 3Å; S37-D40 PolarHBondContact O-N 3.48Å; D40-V42 PolarHBondContact O-N 3.22Å; D40-C43 CarbonylContact O-C 3.59Å; D40-C43 WeakPolarHBondContact O-CB 3.47Å; D40-C43 PolarHBondContact O-N 2.95Å; D40-C43 VanDerWaalsContact O-N 3.13Å; D40-M44 WeakPolarHBondContact O-CB 3.49Å; D40-M44 WeakPolarHBondContact O-CG 3.46Å; D40-M44 PolarHBondContact O-N 3.1Å; D40-V66 HydrophobicContact CB-CB 3.96Å; D40-V66 HydrophobicContact CB-CG1 4.05Å; D40-V66 WeakPolarHBondContact OD1-CB 3.45Å; D40-G67 PolarHBondContact OD1-N 3.22Å; D40-R72 IonicContact OD1-CZ 2.77Å; D40-R72 IonicContact OD1-NH1 3.6Å; D40-R72 PolarHBondContact OD1-NH1 2.65Å; D40-R72 IonicContact OD2-NH1 2.7Å; D40-R72 PolarHBondContact OD2-NH1 3.3Å
41S88.1Confident84.6Confident76 Ų7674.5 Ų74.553%0.53143%0.432SS..Hα-helixtrans-58.7-43.5172.7-175.30000112.6S37 A38 M44 A45S37-S41 VanDerWaalsContact O-CB 3.27Å; S37-S41 WeakPolarHBondContact O-CB 3.47Å; S37-S41 PolarHBondContact O-N 3.42Å; A38-S41 PolarHBondContact O-N 3.45Å; S41-M44 PolarHBondContact O-N 3.08Å; S41-A45 WeakPolarHBondContact O-CB 3.47Å; S41-A45 PolarHBondContact O-N 2.91Å
42V89.6Confident85.1Confident83 Ų8373.4 Ų73.450%0.50343%0.425SS..Hα-helixtrans-63.8-41.5173168.90000111.4A38 L39 D40 A45 M46A38-V42 WeakPolarHBondContact O-CG2 3.34Å; A38-V42 PolarHBondContact O-N 2.97Å; L39-V42 PolarHBondContact O-N 3.21Å; D40-V42 PolarHBondContact O-N 3.22Å; V42-A45 WeakPolarHBondContact O-CB 3.34Å; V42-A45 PolarHBondContact O-N 3.2Å; V42-M46 WeakPolarHBondContact O-CG 3.16Å; V42-M46 PolarHBondContact O-N 3.28Å
43C87.3Confident85.6Confident3 Ų373.7 Ų73.72%0.0243%0.427CS..Hα-helixtrans-64.2-41.6175.7-65.50000112.3L39 D40 A45 M46 S47 V53L39-C43 PolarHBondContact O-N 3.08Å; L39-C43 PolarHBondContact O-SG 3.1Å; D40-C43 CarbonylContact O-C 3.59Å; D40-C43 WeakPolarHBondContact O-CB 3.47Å; D40-C43 PolarHBondContact O-N 2.95Å; D40-C43 VanDerWaalsContact O-N 3.13Å; C43-A45 VanDerWaalsContact C-N 3.34Å; C43-M46 PolarHBondContact O-N 3.16Å; C43-S47 PolarHBondContact O-N 3.16Å; C43-V53 HydrophobicContact CB-CB 4.42Å; C43-V53 HydrophobicContact CB-CG1 4.38Å
44M83.2Confident86Confident110 Ų11071.9 Ų71.954%0.54242%0.42SS..Hα-helixtrans-66.8-34174.1-70.1-169.779.700112D40 S41 S47D40-M44 WeakPolarHBondContact O-CB 3.49Å; D40-M44 WeakPolarHBondContact O-CG 3.46Å; D40-M44 PolarHBondContact O-N 3.1Å; S41-M44 PolarHBondContact O-N 3.08Å; M44-S47 WeakPolarHBondContact O-CB 3.46Å; M44-S47 PolarHBondContact O-N 2.84Å; M44-S47 PolarHBondContact O-OG 2.69Å
45A86.1Confident86.3Confident51 Ų5170 Ų7042%0.42141%0.406SS..Hα-helixtrans-64.8-44.8171.200000111.5S41 V42 C43 S47 K48S41-A45 WeakPolarHBondContact O-CB 3.47Å; S41-A45 PolarHBondContact O-N 2.91Å; V42-A45 WeakPolarHBondContact O-CB 3.34Å; V42-A45 PolarHBondContact O-N 3.2Å; C43-A45 VanDerWaalsContact C-N 3.34Å; A45-S47 VanDerWaalsContact C-N 3.28Å; A45-S47 PolarHBondContact O-N 3.26Å; A45-K48 WeakPolarHBondContact O-CB 3.32Å; A45-K48 PolarHBondContact O-N 3.28Å
46M80.4Confident86.6Confident80 Ų8067 Ų6739%0.39439%0.391SS..Hα-helixtrans-64.1-29.1174.7-72.1-172.27000113.3V42 C43 K48 L49 A51 V53V42-M46 WeakPolarHBondContact O-CG 3.16Å; V42-M46 PolarHBondContact O-N 3.28Å; C43-M46 PolarHBondContact O-N 3.16Å; M46-K48 PolarHBondContact O-N 3.16Å; M46-K48 VanDerWaalsContact O-N 3.16Å; M46-L49 WeakPolarHBondContact O-CB 3.42Å; M46-L49 PolarHBondContact O-N 2.84Å; M46-A51 HydrophobicContact CE-CB 4.47Å; M46-V53 HydrophobicContact CB-CG2 3.73Å; M46-V53 HydrophobicContact CE-CG2 3.83Å; M46-V53 HydrophobicContact CG-CG2 4.49Å; M46-V53 HydrophobicContact SD-CG1 4.4Å; M46-V53 HydrophobicContact SD-CG2 4.01Å
47S83.1Confident86.5Confident51 Ų5166.8 Ų66.836%0.35739%0.39SS..Hα-helixtrans-56.7-30.9174.983.70000112.9C43 M44 A45 L49 N50C43-S47 PolarHBondContact O-N 3.16Å; M44-S47 WeakPolarHBondContact O-CB 3.46Å; M44-S47 PolarHBondContact O-N 2.84Å; M44-S47 PolarHBondContact O-OG 2.69Å; A45-S47 VanDerWaalsContact C-N 3.28Å; A45-S47 PolarHBondContact O-N 3.26Å; S47-L49 PolarHBondContact O-N 2.84Å; S47-N50 WeakPolarHBondContact O-CA 3.43Å; S47-N50 PolarHBondContact O-N 2.69Å
48K82.2Confident86.5Confident170 Ų17064.9 Ų64.974%0.73938%0.375SS*.THydrogen-bonded Turntrans-66.3-17.9177.7-56.3174.7-176.1174.30112.8A45 M46 N50A45-K48 WeakPolarHBondContact O-CB 3.32Å; A45-K48 PolarHBondContact O-N 3.28Å; M46-K48 PolarHBondContact O-N 3.16Å; M46-K48 VanDerWaalsContact O-N 3.16Å; K48-N50 VanDerWaalsContact C-N 3.31Å
49L82.8Confident86.2Confident118 Ų11864.5 Ų64.562%0.61836%0.364SS*.THydrogen-bonded Turntrans-90.69.7173.6-55177.3000112.6M46 S47 A51M46-L49 WeakPolarHBondContact O-CB 3.42Å; M46-L49 PolarHBondContact O-N 2.84Å; S47-L49 PolarHBondContact O-N 2.84Å; L49-A51 PolarHBondContact O-N 3.39Å
50N84.1Confident85.9Confident153 Ų15367.1 Ų67.182%0.81838%0.375SS*.THydrogen-bonded Turntrans58.922.6-168.2-56.1-75.7000114.1S47 K48S47-N50 WeakPolarHBondContact O-CA 3.43Å; S47-N50 PolarHBondContact O-N 2.69Å; K48-N50 VanDerWaalsContact C-N 3.31Å
51A83.4Confident85.5Confident32 Ų3270.6 Ų70.626%0.26439%0.393SS..  trans-85.9122.1170.800000109.7M46 L49 V53M46-A51 HydrophobicContact CE-CB 4.47Å; L49-A51 PolarHBondContact O-N 3.39Å; A51-V53 HydrophobicContact CB-CG2 3.96Å
52E91.4Very high84.9Confident97 Ų9770 Ų7045%0.45339%0.389SS..  trans-82.3121.6164.8-56.8-62.3172.200108.2T68 K70E52-T68 WeakPolarHBondContact CA-OG1 3.43Å; E52-T68 WeakPolarHBondContact OE2-CB 3.37Å; E52-T68 PolarHBondContact OE2-OG1 3.38Å; E52-K70 HydrophobicContact CG-CB 4.22Å; E52-K70 HydrophobicContact CG-CD 4.36Å; E52-K70 VanDerWaalsContact OE1-CD 3.3Å; E52-K70 WeakPolarHBondContact OE1-CD 3.39Å; E52-K70 WeakPolarHBondContact OE1-CE 3Å; E52-K70 IonicContact OE1-NZ 3.31Å; E52-K70 PolarHBondContact OE1-NZ 3.48Å; E52-K70 WeakPolarHBondContact OE2-CB 3.15Å; E52-K70 IonicContact OE2-NZ 3.03Å
53V91.1Very high84.6Confident23 Ų2368.5 Ų68.514%0.13938%0.38CS..  trans-127.4138.9-169.8-175.80000109C43 M46 A51 G67 T68C43-V53 HydrophobicContact CB-CB 4.42Å; C43-V53 HydrophobicContact CB-CG1 4.38Å; M46-V53 HydrophobicContact CB-CG2 3.73Å; M46-V53 HydrophobicContact CE-CG2 3.83Å; M46-V53 HydrophobicContact CG-CG2 4.49Å; M46-V53 HydrophobicContact SD-CG1 4.4Å; M46-V53 HydrophobicContact SD-CG2 4.01Å; A51-V53 HydrophobicContact CB-CG2 3.96Å; V53-G67 CarbonylContact O-C 3.59Å; V53-G67 WeakPolarHBondContact O-CA 3.48Å; V53-T68 HydrophobicContact CB-CG2 4.25Å; V53-T68 PolarHBondContact N-OG1 2.97Å; V53-T68 PolarHBondContact O-N 3.02Å
54A90.3Very high84.6Confident39 Ų3970.6 Ų70.632%0.32239%0.391SS..EExtended strand (participates in β ladder)trans-144.3130.3-179.300000109.5G71 L75A54-G71 VanDerWaalsContact CB-C 3.45Å; A54-G71 VanDerWaalsContact CB-O 3.26Å; A54-G71 WeakPolarHBondContact CB-O 3.49Å; A54-L75 HydrophobicContact CB-CD1 3.46Å; A54-L75 VanDerWaalsContact CB-CD1 3.46Å; A54-L75 HydrophobicContact CB-CG 3.63Å
55C89.8Confident84.9Confident42 Ų4266.5 Ų66.528%0.28437%0.374SS..EExtended strand (participates in β ladder)trans-127.5130.6-177-63.70000109.9A65 V66C55-A65 WeakPolarHBondContact O-CA 3.34Å; C55-V66 HydrophobicContact CB-CG2 3.83Å; C55-V66 PolarHBondContact N-O 3.08Å; C55-V66 PolarHBondContact O-N 2.87Å
56V89.6Confident85.1Confident29 Ų2964.4 Ų64.418%0.17636%0.356CS..EExtended strand (participates in β ladder)trans-98.7119.1171-175.40000107.8V58 V63 L75 Q82 F85V56-V58 HydrophobicContact CG1-CG2 4.37Å; V56-V63 HydrophobicContact CG1-CG1 3.52Å; V56-L75 HydrophobicContact CG2-CD1 3.65Å; V56-L75 HydrophobicContact CG2-CD2 3.75Å; V56-L75 HydrophobicContact CG2-CG 4.33Å; V56-Q82 HydrophobicContact CG2-CG 4.22Å; V56-F85 HydrophobicContact CB-CD1 3.95Å; V56-F85 HydrophobicContact CB-CE1 4.3Å; V56-F85 HydrophobicContact CG1-CD1 3.66Å; V56-F85 HydrophobicContact CG1-CE1 4.28Å
57T86Confident85.6Confident23 Ų2360.6 Ų60.614%0.14134%0.337CS..EExtended strand (participates in β ladder)trans-105.5131.1172.5-51.60000108.4V63 I64T57-V63 WeakPolarHBondContact O-CA 3.38Å; T57-I64 PolarHBondContact N-O 3.31Å; T57-I64 PolarHBondContact O-N 3.03Å
58V86.4Confident85.9Confident39 Ų3958.5 Ų58.524%0.23632%0.323CS..EExtended strand (participates in β ladder)trans-114.4124.9175.7177.50000108.4V56 S62 V63 F85 Y86 C89V56-V58 HydrophobicContact CG1-CG2 4.37Å; V58-S62 WeakPolarHBondContact CA-O 3.23Å; V58-V63 HydrophobicContact CG2-CG1 4.45Å; V58-V63 HydrophobicContact CG2-CG2 4.39Å; V58-F85 HydrophobicContact CG2-CD1 3.81Å; V58-F85 HydrophobicContact CG2-CE1 4.01Å; V58-Y86 HydrophobicContact CG1-CD2 3.73Å; V58-Y86 HydrophobicContact CG1-CE2 4.22Å; V58-C89 HydrophobicContact CB-CB 4.49Å; V58-C89 HydrophobicContact CG1-CB 4.23Å
59H81.9Confident86.1Confident49 Ų4957.7 Ų57.723%0.22732%0.321CS..EExtended strand (participates in β ladder)trans-134.3112.3173.6176.4-80.8000109.4R28 L32 D61 S62R28-H59 PolarHBondContact NE-NE2 3.16Å; R28-H59 PolarHBondContact NH2-NE2 3.18Å; L32-H59 HydrophobicContact CD1-CB 3.96Å; L32-H59 HydrophobicContact CD2-CB 4.2Å; H59-D61 PolarHBondContact O-N 3.18Å; H59-S62 PolarHBondContact N-O 3.07Å; H59-S62 WeakPolarHBondContact O-CB 3.42Å; H59-S62 PolarHBondContact O-N 3.34Å
60E81.5Confident86.4Confident110 Ų11058.3 Ų58.351%0.51432%0.319SS..THydrogen-bonded Turntrans54.6-108.7-173.1-63.2173.4151.200110.3R28R28-E60 IonicContact CZ-OE1 3.48Å; R28-E60 IonicContact CZ-OE2 2.72Å; R28-E60 IonicContact NH1-OE1 2.64Å; R28-E60 PolarHBondContact NH1-OE1 2.82Å; R28-E60 IonicContact NH1-OE2 2.64Å; R28-E60 IonicContact NH2-OE1 3.95Å; R28-E60 PolarHBondContact NH2-OE1 2.89Å; R28-E60 IonicContact NH2-OE2 3.45Å
61D76.3Confident86.7Confident105 Ų10551.2 Ų51.256%0.56128%0.282SS*.THydrogen-bonded Turntrans-105.4-0.4178.5-65.3-19.1000113.4H59 Y86 R90H59-D61 PolarHBondContact O-N 3.18Å; D61-Y86 PolarHBondContact OD1-OH 2.95Å; D61-R90 IonicContact OD1-CZ 3.66Å; D61-R90 IonicContact OD1-NE 2.76Å; D61-R90 PolarHBondContact OD1-NE 3.44Å; D61-R90 IonicContact OD1-NH2 2.73Å; D61-R90 PolarHBondContact OD1-NH2 2.94Å; D61-R90 IonicContact OD2-NH2 2.72Å
62S76.5Confident87Confident63 Ų6353.2 Ų53.244%0.44128%0.283SS..EExtended strand (participates in β ladder)trans-90.1128.9178.1-67.50000111.5V58 H59V58-S62 WeakPolarHBondContact CA-O 3.23Å; H59-S62 PolarHBondContact N-O 3.07Å; H59-S62 WeakPolarHBondContact O-CB 3.42Å; H59-S62 PolarHBondContact O-N 3.34Å
63V83.9Confident86.9Confident51 Ų5154.6 Ų54.631%0.30929%0.291SS..EExtended strand (participates in β ladder)trans-111.2121.9170.7-171.40000108.8V56 T57 V58 Q82 Y86V56-V63 HydrophobicContact CG1-CG1 3.52Å; T57-V63 WeakPolarHBondContact O-CA 3.38Å; V58-V63 HydrophobicContact CG2-CG1 4.45Å; V58-V63 HydrophobicContact CG2-CG2 4.39Å; V63-Q82 HydrophobicContact CG1-CB 4.18Å; V63-Y86 HydrophobicContact CG2-CD2 3.71Å; V63-Y86 HydrophobicContact CG2-CG 3.99Å
64I87.6Confident86.9Confident48 Ų4858.1 Ų58.125%0.24630%0.304CS..EExtended strand (participates in β ladder)trans-120.6124.6-172.8-52.9175.1000108.7V36 T57 V66V36-I64 HydrophobicContact CG1-CG2 3.94Å; V36-I64 HydrophobicContact CG2-CD1 3.92Å; V36-I64 HydrophobicContact CG2-CG2 4.25Å; T57-I64 PolarHBondContact N-O 3.31Å; T57-I64 PolarHBondContact O-N 3.03Å; I64-V66 HydrophobicContact CG2-CG1 4.37Å
65A89.4Confident86.9Confident24 Ų2456.8 Ų56.820%0.19829%0.292CS..EExtended strand (participates in β ladder)trans-103.9114.1178.300000111.2C55 L75C55-A65 WeakPolarHBondContact O-CA 3.34Å; A65-L75 HydrophobicContact CB-CD1 4.35Å
66V90.4Very high86.7Confident7 Ų759 Ų594%0.04230%0.3CS..EExtended strand (participates in β ladder)trans-115.1159.4173.4-65.70000110.1V36 L39 D40 C55 I64V36-V66 HydrophobicContact CG1-CG1 3.7Å; L39-V66 HydrophobicContact CB-CG2 3.78Å; D40-V66 HydrophobicContact CB-CB 3.96Å; D40-V66 HydrophobicContact CB-CG1 4.05Å; D40-V66 WeakPolarHBondContact OD1-CB 3.45Å; C55-V66 HydrophobicContact CB-CG2 3.83Å; C55-V66 PolarHBondContact N-O 3.08Å; C55-V66 PolarHBondContact O-N 2.87Å; I64-V66 HydrophobicContact CG2-CG1 4.37Å
67G89.4Confident86.7Confident0 Ų061.7 Ų61.70%032%0.321CS..EExtended strand (participates in β ladder)trans155.1-178.8-17100000115.4D40 V53 R72D40-G67 PolarHBondContact OD1-N 3.22Å; V53-G67 CarbonylContact O-C 3.59Å; V53-G67 WeakPolarHBondContact O-CA 3.48Å; G67-R72 PolarHBondContact O-NH1 3.09Å
68T90.5Very high86.8Confident7 Ų765.9 Ų65.94%0.04333%0.334CS..  trans-66.4158.9162.970.60000110.2E52 V53 K70 G71 R72E52-T68 WeakPolarHBondContact CA-OG1 3.43Å; E52-T68 WeakPolarHBondContact OE2-CB 3.37Å; E52-T68 PolarHBondContact OE2-OG1 3.38Å; V53-T68 HydrophobicContact CB-CG2 4.25Å; V53-T68 PolarHBondContact N-OG1 2.97Å; V53-T68 PolarHBondContact O-N 3.02Å; T68-K70 VanDerWaalsContact C-N 3.29Å; T68-K70 PolarHBondContact O-N 2.96Å; T68-G71 CarbonylContact O-C 3.58Å; T68-G71 WeakPolarHBondContact O-CA 3.34Å; T68-G71 PolarHBondContact O-N 3.28Å; T68-G71 PolarHBondContact OG1-N 2.85Å; T68-R72 PolarHBondContact O-N 3.24Å
69E86.6Confident86.8Confident153 Ų15373.1 Ų73.172%0.71536%0.357SS*.Hα-helixtrans-50.2-47.5179-170.4-169165.500112.4M73E69-M73 WeakPolarHBondContact O-CB 3.3Å; E69-M73 WeakPolarHBondContact O-CG 3.48Å; E69-M73 PolarHBondContact O-N 3.37Å
70K88Confident87.1Confident130 Ų13076.1 Ų76.157%0.56537%0.371SS*.Hα-helixtrans-72.6-30.2178.2-47.1-169.3-164.464.80112.6E52 T68 F74E52-K70 HydrophobicContact CG-CB 4.22Å; E52-K70 HydrophobicContact CG-CD 4.36Å; E52-K70 VanDerWaalsContact OE1-CD 3.3Å; E52-K70 WeakPolarHBondContact OE1-CD 3.39Å; E52-K70 WeakPolarHBondContact OE1-CE 3Å; E52-K70 IonicContact OE1-NZ 3.31Å; E52-K70 PolarHBondContact OE1-NZ 3.48Å; E52-K70 WeakPolarHBondContact OE2-CB 3.15Å; E52-K70 IonicContact OE2-NZ 3.03Å; T68-K70 VanDerWaalsContact C-N 3.29Å; T68-K70 PolarHBondContact O-N 2.96Å; K70-F74 WeakPolarHBondContact O-CB 3.38Å; K70-F74 PolarHBondContact O-N 3.45Å
71G90.6Very high87.5Confident4 Ų474 Ų744%0.04136%0.362CS..Hα-helixtrans-67.1-48.9174.600000112.7A54 T68 M73 F74 L75A54-G71 VanDerWaalsContact CB-C 3.45Å; A54-G71 VanDerWaalsContact CB-O 3.26Å; A54-G71 WeakPolarHBondContact CB-O 3.49Å; T68-G71 CarbonylContact O-C 3.58Å; T68-G71 WeakPolarHBondContact O-CA 3.34Å; T68-G71 PolarHBondContact O-N 3.28Å; T68-G71 PolarHBondContact OG1-N 2.85Å; G71-M73 VanDerWaalsContact C-N 3.34Å; G71-M73 PolarHBondContact O-N 3.45Å; G71-F74 WeakPolarHBondContact O-CB 3.38Å; G71-F74 PolarHBondContact O-N 3.24Å; G71-F74 VanDerWaalsContact O-N 3.17Å; G71-L75 PolarHBondContact O-N 3.29Å
72R89.3Confident88Confident74 Ų7470.1 Ų70.128%0.27934%0.341SS..Hα-helixtrans-60.3-44.3173.5-63.1-167.5-61.8-130.514110.7D40 G67 T68 F74 L75 N76D40-R72 IonicContact OD1-CZ 2.77Å; D40-R72 IonicContact OD1-NH1 3.6Å; D40-R72 PolarHBondContact OD1-NH1 2.65Å; D40-R72 IonicContact OD2-NH1 2.7Å; D40-R72 PolarHBondContact OD2-NH1 3.3Å; G67-R72 PolarHBondContact O-NH1 3.09Å; T68-R72 PolarHBondContact O-N 3.24Å; R72-F74 VanDerWaalsContact C-N 3.34Å; R72-F74 PolarHBondContact O-N 3.5Å; R72-L75 PolarHBondContact O-N 3.05Å; R72-N76 VanDerWaalsContact O-CB 3.3Å; R72-N76 WeakPolarHBondContact O-CB 3.46Å; R72-N76 VanDerWaalsContact O-CG 3.23Å; R72-N76 PolarHBondContact O-N 3.22Å
73M88.8Confident88.4Confident126 Ų12670.2 Ų70.262%0.62134%0.339SS*.Hα-helixtrans-60.9-38.1173.6-73.7-71.2-82.200113.2E69 G71 S77E69-M73 WeakPolarHBondContact O-CB 3.3Å; E69-M73 WeakPolarHBondContact O-CG 3.48Å; E69-M73 PolarHBondContact O-N 3.37Å; G71-M73 VanDerWaalsContact C-N 3.34Å; G71-M73 PolarHBondContact O-N 3.45Å; M73-S77 VanDerWaalsContact O-CB 3.27Å; M73-S77 WeakPolarHBondContact O-CB 3.36Å; M73-S77 PolarHBondContact O-N 3.2Å; M73-S77 PolarHBondContact O-OG 3.41Å
74F91.8Very high88.6Confident98 Ų9871.7 Ų71.743%0.4335%0.346SS..Hα-helixtrans-63.6-50.6174.2173.2-95000111.7K70 G71 R72 N76 S77 R78 I81K70-F74 WeakPolarHBondContact O-CB 3.38Å; K70-F74 PolarHBondContact O-N 3.45Å; G71-F74 WeakPolarHBondContact O-CB 3.38Å; G71-F74 PolarHBondContact O-N 3.24Å; G71-F74 VanDerWaalsContact O-N 3.17Å; R72-F74 VanDerWaalsContact C-N 3.34Å; R72-F74 PolarHBondContact O-N 3.5Å; F74-N76 PolarHBondContact O-N 2.93Å; F74-S77 PolarHBondContact O-N 3.35Å; F74-S77 PolarHBondContact O-OG 3.23Å; F74-R78 PolarHBondContact O-N 3.09Å; F74-I81 HydrophobicContact CE1-CD1 4.26Å; F74-I81 HydrophobicContact CZ-CD1 4.44Å
75L90.4Very high88.6Confident10 Ų1073.4 Ų73.45%0.05235%0.351CS..Hα-helixtrans-61.9-41.2176.7-76.5177.8000112.3A54 V56 A65 G71 R72 S77 R78 I81 Q82A54-L75 HydrophobicContact CB-CD1 3.46Å; A54-L75 VanDerWaalsContact CB-CD1 3.46Å; A54-L75 HydrophobicContact CB-CG 3.63Å; V56-L75 HydrophobicContact CG2-CD1 3.65Å; V56-L75 HydrophobicContact CG2-CD2 3.75Å; V56-L75 HydrophobicContact CG2-CG 4.33Å; A65-L75 HydrophobicContact CB-CD1 4.35Å; G71-L75 PolarHBondContact O-N 3.29Å; R72-L75 PolarHBondContact O-N 3.05Å; L75-S77 VanDerWaalsContact C-N 3.33Å; L75-R78 CarbonylContact O-C 3.57Å; L75-R78 PolarHBondContact O-N 2.86Å; L75-R78 VanDerWaalsContact O-N 3.09Å; L75-I81 HydrophobicContact CD2-CG2 4.24Å; L75-Q82 PolarHBondContact O-NE2 2.97Å
76N85.2Confident88.4Confident88 Ų8874.8 Ų74.847%0.47135%0.352SS..Hα-helixtrans-71.6-29.6-179.5-69-7.8000111.9R72 F74 R78 Q82R72-N76 VanDerWaalsContact O-CB 3.3Å; R72-N76 WeakPolarHBondContact O-CB 3.46Å; R72-N76 VanDerWaalsContact O-CG 3.23Å; R72-N76 PolarHBondContact O-N 3.22Å; F74-N76 PolarHBondContact O-N 2.93Å; N76-R78 PolarHBondContact O-N 3.24Å; N76-Q82 PolarHBondContact OD1-NE2 3Å
77S89.9Confident88.1Confident86 Ų8680.1 Ų80.160%0.60137%0.374SS*.Hα-helixtrans-68.1-17.9169.377.90000113.9M73 F74 L75M73-S77 VanDerWaalsContact O-CB 3.27Å; M73-S77 WeakPolarHBondContact O-CB 3.36Å; M73-S77 PolarHBondContact O-N 3.2Å; M73-S77 PolarHBondContact O-OG 3.41Å; F74-S77 PolarHBondContact O-N 3.35Å; F74-S77 PolarHBondContact O-OG 3.23Å; L75-S77 VanDerWaalsContact C-N 3.33Å
78R88.9Confident87.8Confident112 Ų11286.9 Ų86.942%0.42340%0.404SS..THydrogen-bonded Turntrans-12963.7-177-65-170-177.5-157.81.2111.8F74 L75 N76 E80 I81F74-R78 PolarHBondContact O-N 3.09Å; L75-R78 CarbonylContact O-C 3.57Å; L75-R78 PolarHBondContact O-N 2.86Å; L75-R78 VanDerWaalsContact O-N 3.09Å; N76-R78 PolarHBondContact O-N 3.24Å; R78-E80 HydrophobicContact CB-CG 4.13Å; R78-E80 PolarHBondContact O-N 3.03Å; R78-E80 VanDerWaalsContact O-N 3.08Å; R78-I81 HydrophobicContact CB-CD1 3.83Å; R78-I81 HydrophobicContact CB-CG1 4.06Å; R78-I81 HydrophobicContact CG-CD1 4.39Å; R78-I81 WeakPolarHBondContact O-CB 3.44Å; R78-I81 PolarHBondContact O-N 3.36Å
79R85.9Confident87.3Confident190 Ų19089.4 Ų89.472%0.71742%0.421SS*.Hα-helixtrans-59-19.6176.4-62.5-163.2-58.4150.82.8113.6I81 Q82 T83R79-I81 VanDerWaalsContact C-N 3.35Å; R79-I81 PolarHBondContact O-N 3.18Å; R79-Q82 PolarHBondContact O-N 3.11Å; R79-T83 VanDerWaalsContact O-CB 3.28Å; R79-T83 WeakPolarHBondContact O-CB 3.49Å; R79-T83 PolarHBondContact O-N 3.24Å; R79-T83 PolarHBondContact O-OG1 2.89Å
80E88.2Confident86.7Confident113 Ų11388 Ų8853%0.52841%0.409SS..Hα-helixtrans-50.7-49.2165.463.3-136.2-152.700112.4R78 Q82 T83 D84R78-E80 HydrophobicContact CB-CG 4.13Å; R78-E80 PolarHBondContact O-N 3.03Å; R78-E80 VanDerWaalsContact O-N 3.08Å; E80-Q82 PolarHBondContact O-N 2.94Å; E80-T83 PolarHBondContact O-N 2.96Å; E80-D84 WeakPolarHBondContact O-CB 3.5Å; E80-D84 PolarHBondContact O-N 2.94Å
81I89.6Confident85.2Confident64 Ų6484 Ų8433%0.32840%0.401SS..Hα-helixtrans-63.6-42.8-179.4-61.5176.8000110.6F74 L75 R78 R79 T83 F85F74-I81 HydrophobicContact CE1-CD1 4.26Å; F74-I81 HydrophobicContact CZ-CD1 4.44Å; L75-I81 HydrophobicContact CD2-CG2 4.24Å; R78-I81 HydrophobicContact CB-CD1 3.83Å; R78-I81 HydrophobicContact CB-CG1 4.06Å; R78-I81 HydrophobicContact CG-CD1 4.39Å; R78-I81 WeakPolarHBondContact O-CB 3.44Å; R78-I81 PolarHBondContact O-N 3.36Å; R79-I81 VanDerWaalsContact C-N 3.35Å; R79-I81 PolarHBondContact O-N 3.18Å; I81-T83 VanDerWaalsContact C-N 3.33Å; I81-F85 VanDerWaalsContact O-CB 3.22Å; I81-F85 WeakPolarHBondContact O-CB 3.17Å; I81-F85 PolarHBondContact O-N 3.35Å
82Q87.4Confident83.2Confident24 Ų2488.5 Ų88.511%0.11243%0.429CS..Hα-helixtrans-64.6-40.4177.7-58-16939.900111.3V56 V63 L75 N76 R79 E80 Y86V56-Q82 HydrophobicContact CG2-CG 4.22Å; V63-Q82 HydrophobicContact CG1-CB 4.18Å; L75-Q82 PolarHBondContact O-NE2 2.97Å; N76-Q82 PolarHBondContact OD1-NE2 3Å; R79-Q82 PolarHBondContact O-N 3.11Å; E80-Q82 PolarHBondContact O-N 2.94Å; Q82-Y86 VanDerWaalsContact O-CB 3.29Å; Q82-Y86 WeakPolarHBondContact O-CB 3.47Å; Q82-Y86 PolarHBondContact O-N 2.86Å
83T85.1Confident81Confident65 Ų6589.8 Ų89.840%0.39945%0.448SS..Hα-helixtrans-72.3-40.1-178.7-57.80000111.7R79 E80 I81 Y86 K87R79-T83 VanDerWaalsContact O-CB 3.28Å; R79-T83 WeakPolarHBondContact O-CB 3.49Å; R79-T83 PolarHBondContact O-N 3.24Å; R79-T83 PolarHBondContact O-OG1 2.89Å; E80-T83 PolarHBondContact O-N 2.96Å; I81-T83 VanDerWaalsContact C-N 3.33Å; T83-Y86 PolarHBondContact O-N 3.11Å; T83-K87 VanDerWaalsContact O-CG 3.31Å; T83-K87 WeakPolarHBondContact O-CG 3.47Å; T83-K87 PolarHBondContact O-N 2.72Å
84D86.9Confident78.8Confident83 Ų8389.9 Ų89.944%0.44445%0.451SS..Hα-helixtrans-76.5-32.4179.1-67.9-20.1000111.8E80 K87 F88E80-D84 WeakPolarHBondContact O-CB 3.5Å; E80-D84 PolarHBondContact O-N 2.94Å; D84-K87 PolarHBondContact O-N 2.8Å; D84-K87 IonicContact OD1-NZ 3.3Å; D84-K87 PolarHBondContact OD1-NZ 3.33Å; D84-F88 VanDerWaalsContact O-CB 3.29Å; D84-F88 WeakPolarHBondContact O-CB 3.08Å; D84-F88 PolarHBondContact O-N 3.2Å
85F87.4Confident76.4Confident84 Ų8493.5 Ų93.537%0.36847%0.469SS..Hα-helixtrans-65.9-41.8167.6-170.6-108.6000111.8V56 V58 I81 F88 C89V56-F85 HydrophobicContact CB-CD1 3.95Å; V56-F85 HydrophobicContact CB-CE1 4.3Å; V56-F85 HydrophobicContact CG1-CD1 3.66Å; V56-F85 HydrophobicContact CG1-CE1 4.28Å; V58-F85 HydrophobicContact CG2-CD1 3.81Å; V58-F85 HydrophobicContact CG2-CE1 4.01Å; I81-F85 VanDerWaalsContact O-CB 3.22Å; I81-F85 WeakPolarHBondContact O-CB 3.17Å; I81-F85 PolarHBondContact O-N 3.35Å; F85-F88 CarbonylContact O-C 3.17Å; F85-F88 WeakPolarHBondContact O-CB 3.41Å; F85-F88 PolarHBondContact O-N 2.64Å; F85-F88 VanDerWaalsContact O-N 3.17Å; F85-C89 PolarHBondContact O-N 2.99Å; F85-C89 PolarHBondContact O-SG 3.37Å; F85-C89 VanDerWaalsContact O-SG 3.33Å
86Y85.9Confident73.7Confident53 Ų5398.2 Ų98.221%0.20850%0.502CS..Hα-helixtrans-60-45.9172.8174.4-104.9000112.7V58 D61 V63 Q82 T83 F88 C89 R90V58-Y86 HydrophobicContact CG1-CD2 3.73Å; V58-Y86 HydrophobicContact CG1-CE2 4.22Å; D61-Y86 PolarHBondContact OD1-OH 2.95Å; V63-Y86 HydrophobicContact CG2-CD2 3.71Å; V63-Y86 HydrophobicContact CG2-CG 3.99Å; Q82-Y86 VanDerWaalsContact O-CB 3.29Å; Q82-Y86 WeakPolarHBondContact O-CB 3.47Å; Q82-Y86 PolarHBondContact O-N 2.86Å; T83-Y86 PolarHBondContact O-N 3.11Å; Y86-F88 VanDerWaalsContact C-N 3.33Å; Y86-F88 PolarHBondContact O-N 3.14Å; Y86-C89 PolarHBondContact O-N 3.16Å; Y86-R90 PolarHBondContact O-N 3.46Å; Y86-R90 VanDerWaalsContact O-N 3.1Å; Y86-R90 PolarHBondContact OH-NE 3.27Å
87K84.2Confident71.4Confident118 Ų118101 Ų10151%0.51352%0.516SS..Hα-helixtrans-57.3-45.5171-71.6169.1-167156.30111.2T83 D84 C89 R90 A91T83-K87 VanDerWaalsContact O-CG 3.31Å; T83-K87 WeakPolarHBondContact O-CG 3.47Å; T83-K87 PolarHBondContact O-N 2.72Å; D84-K87 PolarHBondContact O-N 2.8Å; D84-K87 IonicContact OD1-NZ 3.3Å; D84-K87 PolarHBondContact OD1-NZ 3.33Å; K87-C89 VanDerWaalsContact C-N 3.35Å; K87-C89 PolarHBondContact O-N 3.24Å; K87-R90 PolarHBondContact O-N 3.13Å; K87-A91 VanDerWaalsContact O-CB 3.32Å; K87-A91 WeakPolarHBondContact O-CB 3.44Å; K87-A91 PolarHBondContact O-N 3.07Å
88F83.4Confident68.7Low143 Ų143103.2 Ų103.263%0.62753%0.527SS*.Hα-helixtrans-62.9-37.3178.6177.8-96000112.5D84 F85 Y86 P92D84-F88 VanDerWaalsContact O-CB 3.29Å; D84-F88 WeakPolarHBondContact O-CB 3.08Å; D84-F88 PolarHBondContact O-N 3.2Å; F85-F88 CarbonylContact O-C 3.17Å; F85-F88 WeakPolarHBondContact O-CB 3.41Å; F85-F88 PolarHBondContact O-N 2.64Å; F85-F88 VanDerWaalsContact O-N 3.17Å; Y86-F88 VanDerWaalsContact C-N 3.33Å; Y86-F88 PolarHBondContact O-N 3.14Å; F88-P92 WeakPolarHBondContact O-CD 3.45Å
89C79.3Confident66.1Low59 Ų59102 Ų10240%0.39954%0.541SS..Hα-helixtrans-66.6-34.9173.5-69.10000112.9V58 F85 Y86 K87V58-C89 HydrophobicContact CB-CB 4.49Å; V58-C89 HydrophobicContact CG1-CB 4.23Å; F85-C89 PolarHBondContact O-N 2.99Å; F85-C89 PolarHBondContact O-SG 3.37Å; F85-C89 VanDerWaalsContact O-SG 3.33Å; Y86-C89 PolarHBondContact O-N 3.16Å; K87-C89 VanDerWaalsContact C-N 3.35Å; K87-C89 PolarHBondContact O-N 3.24Å
90R74.6Confident63.5Low124 Ų12499.3 Ų99.347%0.46855%0.545SS..Hα-helixtrans-81.7-29.9176.2-88.3-179.6162.6-112.55.2114.2D61 Y86 K87 C93D61-R90 IonicContact OD1-CZ 3.66Å; D61-R90 IonicContact OD1-NE 2.76Å; D61-R90 PolarHBondContact OD1-NE 3.44Å; D61-R90 IonicContact OD1-NH2 2.73Å; D61-R90 PolarHBondContact OD1-NH2 2.94Å; D61-R90 IonicContact OD2-NH2 2.72Å; Y86-R90 PolarHBondContact O-N 3.46Å; Y86-R90 VanDerWaalsContact O-N 3.1Å; Y86-R90 PolarHBondContact OH-NE 3.27Å; K87-R90 PolarHBondContact O-N 3.13Å; R90-C93 WeakPolarHBondContact O-CB 3.46Å; R90-C93 PolarHBondContact O-N 3.05Å; R90-C93 VanDerWaalsContact O-N 3.15Å
91A55.4Low60.6Low47 Ų47101.3 Ų101.339%0.38856%0.56SS.*G310 helixtrans-57.4-40.9-170.500000115.6K87 C93 L94K87-A91 VanDerWaalsContact O-CB 3.32Å; K87-A91 WeakPolarHBondContact O-CB 3.44Å; K87-A91 PolarHBondContact O-N 3.07Å; A91-C93 PolarHBondContact O-N 3.22Å; A91-C93 VanDerWaalsContact O-N 3.11Å; A91-L94 PolarHBondContact O-N 3.47Å
92P48.8Very low57.5Low98 Ų98104.3 Ų104.364%0.63658%0.581SS**G310 helixtrans-62-18.5178.5-25.935.3000114.9F88F88-P92 WeakPolarHBondContact O-CD 3.45Å
93C44.1Very low54.5Low101 Ų101111.6 Ų111.668%0.68261%0.614SS**G310 helixtrans-85-16.9-174.3-159.80000113.6R90 A91R90-C93 WeakPolarHBondContact O-CB 3.46Å; R90-C93 PolarHBondContact O-N 3.05Å; R90-C93 VanDerWaalsContact O-N 3.15Å; A91-C93 PolarHBondContact O-N 3.22Å; A91-C93 VanDerWaalsContact O-N 3.11Å
94L43.4Very low51.8Low128 Ų128115.8 Ų115.867%0.6764%0.64SS**THydrogen-bonded Turntrans-109.4-4.5-171.6-91.8166.5000115.9A91A91-L94 PolarHBondContact O-N 3.47Å
95Q39.8Very low49Very low174 Ų174120 Ų12081%0.81366%0.655SS**SBendtrans-98-0.1-177.8-67.2-172.5-12.200115
96S33.9Very low46.2Very low108 Ų108121.5 Ų121.576%0.75567%0.667SS**SBendtrans-112.920.5-177.5-168.40000114.3
97L36.4Very low43.5Very low146 Ų146127.4 Ų127.476%0.76470%0.696SS**SBendtrans-128.68.8-175.4-82.9167.9000115.4
98T33.4Very low40.8Very low134 Ų134131.3 Ų131.382%0.82272%0.716SS**SBendtrans-130.724.1-174.224.70000114.3
99A35.8Very low37.9Very low86 Ų86128.2 Ų128.271%0.71172%0.724SS**SBendtrans-136.7153.2165.500000110
100V29.8Very low35.5Very low134 Ų134133.4 Ų133.481%0.81275%0.748SS**  trans68.684.2-176.5-167.40000114.6
101N27.6Very low34.3Very low155 Ų155132.4 Ų132.483%0.82976%0.758SS**  -174.799.3119.3-97.3-22.6000112.8
102T24.3Very low32.8Very low127 Ų127138.6 Ų138.678%0.77978%0.782SS**  trans-143.6141.1155.947.90000109.3
103H24.5Very low31.8Very low176 Ų176142.7 Ų142.782%0.81579%0.79SS**  trans69.981.4172.8-53.6-69.1000119.4
104T29.2Very low31.1Very low154 Ų154145.6 Ų145.695%0.94580%0.798SS**  -129.6166.9112.516.80000109
105K28.6Very low30.2Very low170 Ų170145.6 Ų145.674%0.73981%0.809SS**  trans-133.5162.5-162.7-157.7-174.5166.8-89.40111.1
106D27.4Very low29.8Very low116 Ų116145.6 Ų145.662%0.6281%0.806SS**  trans71.7146.9172.2-45.5-47.4000113.5
107Q28.6Very low29.6Very low178 Ų178147.4 Ų147.483%0.83281%0.807SS**  cis-148.2134.411.6-152.7164.195.300112.7
108E27.6Very low29.1Very low200 Ų200144.4 Ų144.494%0.93581%0.811SS**  trans18.7135.1147.1-142.4162124.100123
109G24.3Very low28.9Very low77 Ų77146 Ų14679%0.79481%0.809SS**  trans172.4115167.100000113.5
110D27.1Very low28.7Very low168 Ų168149.8 Ų149.890%0.89881%0.812SS**  trans-93168.3-166.4-130.323.5000114.4
111P49.4Very low28.6Very low103 Ų103148.2 Ų148.267%0.66981%0.814SS**  trans-103.9172.4-157.840.7-39.2000116.1
112I24.1Very low29.2Very low177 Ų177150.9 Ų150.991%0.90882%0.818SS**  trans-151.1162160.9-108.1149.8000112.4
113K29Very low29.4Very low184 Ų184154.4 Ų154.480%0.883%0.825SS**  trans-98.3163.3-165.9-61.5174177.9172.60114.9
114L29.5Very low30.2Very low163 Ų163157.9 Ų157.985%0.85383%0.831SS**  trans61.5125145.5-105.572.9000119.9
115S23.6Very low30.5Very low128 Ų128154.9 Ų154.990%0.89582%0.822SS**  -174.3-166.9110.2480000110.5
116K32.6Very low31.2Very low174 Ų174151.7 Ų151.776%0.75782%0.819SS**  trans-138.2142.7-153.4166.5-178.9169.6-178.40112.9
117D29.2Very low32.1Very low146 Ų146151.6 Ų151.678%0.78183%0.827SS**  trans59.4135.5167.6-64.2-26.2000119.1
118G25.2Very low32.7Very low82 Ų82147.8 Ų147.885%0.84581%0.812SS**  trans167.980.5179.900000111.3
119E29.1Very low33.7Very low167 Ų167141.9 Ų141.978%0.7879%0.791SS**  trans-90.5156-170.6-158.1-174.2-169.500113.2
120H33Very low35.1Very low166 Ų166145.3 Ų145.377%0.76979%0.787SS**  trans89.681.9169.7-59.682.5000119.3
121A27.4Very low36.5Very low102 Ų102140.3 Ų140.384%0.84377%0.765SS**  trans-133.2129.5140.100000109.7
122K39.8Very low37.5Very low211 Ų211140.5 Ų140.592%0.91776%0.76SS**  trans-79.8119.9-178.2-67.9173.3-179.5170.20111.1
123Q28.8Very low40.4Very low200 Ų200132.9 Ų132.994%0.93572%0.722SS**  trans-135.4142.7145.7-75.6-157.8-9.100111.6
124R41.3Very low43.1Very low250 Ų250130.8 Ų130.894%0.94371%0.713SS**  trans-119.6111.7-177.1165.2-159-85.3159-11.2107.3
125A34.1Very low45.9Very low90 Ų90126.8 Ų126.874%0.74470%0.695SS**  trans-164.2160.1170.400000110.2
126P44.2Very low49Very low104 Ų104121.8 Ų121.868%0.67566%0.658SS**  -133167.9-51.438-25.4000112.4
127S46.9Very low51.8Low113 Ų113117.6 Ų117.679%0.7964%0.638SS**SBendtrans-65.3132157.350.50000109.7P129S127-P129 WeakPolarHBondContact O-CD 3.34Å; S127-P129 VanDerWaalsContact O-N 3.16Å
128D41.4Very low54.7Low98 Ų98116 Ų11652%0.52462%0.623SS.*  trans-55.1112.9-169.6176.236000114Q130 S131D128-Q130 VanDerWaalsContact C-N 3.31Å; D128-Q130 WeakPolarHBondContact OD1-CB 3.43Å; D128-Q130 PolarHBondContact OD1-N 2.94Å; D128-S131 PolarHBondContact OD2-N 3.34Å
129P48Very low57.8Low76 Ų76116.7 Ų116.749%0.49461%0.606SS.*  trans-76.2-17.7174.8-13.530.9000113.5S127 S131 N132 V133S127-P129 WeakPolarHBondContact O-CD 3.34Å; S127-P129 VanDerWaalsContact O-N 3.16Å; P129-S131 PolarHBondContact O-N 3.04Å; P129-N132 PolarHBondContact O-N 2.88Å; P129-V133 WeakPolarHBondContact O-CG2 3.01Å; P129-V133 PolarHBondContact O-N 3.43Å
130Q53.1Low60.9Low150 Ų150108.7 Ų108.770%0.70157%0.569SS**Hα-helixtrans-72.1-34.8-162.1-162.7148.6-76.600113D128 V133 F134D128-Q130 VanDerWaalsContact C-N 3.31Å; D128-Q130 WeakPolarHBondContact OD1-CB 3.43Å; D128-Q130 PolarHBondContact OD1-N 2.94Å; Q130-V133 PolarHBondContact O-N 2.74Å; Q130-F134 PolarHBondContact O-N 3.17Å
131S56.1Low63.8Low63 Ų63105.2 Ų105.244%0.44155%0.553SS.*Hα-helixtrans-55.6-51171.254.60000113.2D128 P129 V133 F134 V135D128-S131 PolarHBondContact OD2-N 3.34Å; P129-S131 PolarHBondContact O-N 3.04Å; S131-V133 PolarHBondContact O-N 2.9Å; S131-F134 PolarHBondContact O-N 2.81Å; S131-V135 PolarHBondContact O-N 3.3Å; S131-V135 VanDerWaalsContact O-N 3.08Å
132N70.3Confident66.9Low106 Ų106105 Ų10557%0.56753%0.534SS*.Hα-helixtrans-62.8-40.8177.9-72.2-61.7000111.9P129 F134 V135 L136P129-N132 PolarHBondContact O-N 2.88Å; N132-F134 VanDerWaalsContact C-N 3.35Å; N132-F134 PolarHBondContact O-N 3.26Å; N132-V135 PolarHBondContact O-N 3.12Å; N132-L136 WeakPolarHBondContact O-CB 3.34Å; N132-L136 VanDerWaalsContact O-CG 3.28Å; N132-L136 WeakPolarHBondContact O-CG 3.33Å; N132-L136 PolarHBondContact O-N 2.92Å
133V85.9Confident69.4Low17 Ų1796.8 Ų96.810%0.10350%0.502CS..Hα-helixtrans-62.3-42.1175.6175.60000111.2P129 Q130 S131 L136 R137 T191P129-V133 WeakPolarHBondContact O-CG2 3.01Å; P129-V133 PolarHBondContact O-N 3.43Å; Q130-V133 PolarHBondContact O-N 2.74Å; S131-V133 PolarHBondContact O-N 2.9Å; V133-L136 PolarHBondContact O-N 3.21Å; V133-R137 HydrophobicContact CG1-CG 4.37Å; V133-R137 WeakPolarHBondContact O-CB 3.31Å; V133-R137 VanDerWaalsContact O-CG 3.24Å; V133-R137 WeakPolarHBondContact O-CG 3.49Å; V133-R137 PolarHBondContact O-N 2.85Å; V133-T191 HydrophobicContact CG2-CG2 3.92Å; V133-T191 WeakPolarHBondContact CG2-OG1 3.46Å
134F86.4Confident72.5Confident141 Ų14187.3 Ų87.362%0.61846%0.457SS*.Hα-helixtrans-62-44.8177.1179.8-96.4000112.4Q130 S131 N132 R137 K138Q130-F134 PolarHBondContact O-N 3.17Å; S131-F134 PolarHBondContact O-N 2.81Å; N132-F134 VanDerWaalsContact C-N 3.35Å; N132-F134 PolarHBondContact O-N 3.26Å; F134-R137 PolarHBondContact O-N 3.27Å; F134-K138 PolarHBondContact O-N 3.11Å
135V86.8Confident74.9Confident78 Ų7876.3 Ų76.347%0.47342%0.418SS..Hα-helixtrans-61.1-47.6176.1173.70000111.1S131 N132 R137 K138 M139S131-V135 PolarHBondContact O-N 3.3Å; S131-V135 VanDerWaalsContact O-N 3.08Å; N132-V135 PolarHBondContact O-N 3.12Å; V135-R137 PolarHBondContact O-N 3.13Å; V135-K138 PolarHBondContact O-N 2.85Å; V135-M139 HydrophobicContact CG1-CG 4.39Å; V135-M139 HydrophobicContact CG1-SD 3.95Å; V135-M139 WeakPolarHBondContact O-CG 3.43Å; V135-M139 PolarHBondContact O-N 3.38Å
136L89.3Confident77.7Confident23 Ų2375.4 Ų75.412%0.1240%0.403CS..Hα-helixtrans-63.3-39.2179.7-70.1170.3000112.8N132 V133 M139 V140 T191 L194 M195 L198N132-L136 WeakPolarHBondContact O-CB 3.34Å; N132-L136 VanDerWaalsContact O-CG 3.28Å; N132-L136 WeakPolarHBondContact O-CG 3.33Å; N132-L136 PolarHBondContact O-N 2.92Å; V133-L136 PolarHBondContact O-N 3.21Å; L136-M139 PolarHBondContact O-N 3.3Å; L136-V140 WeakPolarHBondContact O-CG2 3.3Å; L136-V140 PolarHBondContact O-N 2.83Å; L136-V140 VanDerWaalsContact O-N 3.08Å; L136-T191 HydrophobicContact CD1-CG2 3.75Å; L136-L194 HydrophobicContact CB-CB 4.11Å; L136-L194 HydrophobicContact CB-CD1 4.14Å; L136-M195 HydrophobicContact CD1-CG 4.02Å; L136-M195 HydrophobicContact CD1-SD 3.8Å; L136-M195 HydrophobicContact CD2-CG 4.43Å; L136-M195 HydrophobicContact CD2-SD 3.45Å; L136-M195 WeakPolarHBondContact CD2-SD 3.49Å; L136-M195 HydrophobicContact CG-SD 4.29Å; L136-L198 HydrophobicContact CD2-CD1 3.64Å
137R92.4Very high80Confident87 Ų8771.6 Ų71.633%0.32838%0.377SS..Hα-helixtrans-58.6-49.4172.9-75.1177170156.6-0.7111.1V133 F134 V135 M139 V140 E141 P186 S187 L194V133-R137 HydrophobicContact CG1-CG 4.37Å; V133-R137 WeakPolarHBondContact O-CB 3.31Å; V133-R137 VanDerWaalsContact O-CG 3.24Å; V133-R137 WeakPolarHBondContact O-CG 3.49Å; V133-R137 PolarHBondContact O-N 2.85Å; F134-R137 PolarHBondContact O-N 3.27Å; V135-R137 PolarHBondContact O-N 3.13Å; R137-M139 PolarHBondContact O-N 3.02Å; R137-V140 PolarHBondContact O-N 2.86Å; R137-E141 WeakPolarHBondContact O-CB 3.19Å; R137-E141 PolarHBondContact O-N 3.36Å; R137-P186 HydrophobicContact CB-CB 4.22Å; R137-P186 WeakPolarHBondContact CG-O 3.42Å; R137-P186 VanDerWaalsContact O-CB 3.3Å; R137-P186 WeakPolarHBondContact O-CB 3.18Å; R137-S187 PolarHBondContact NH2-O 3.32Å; R137-S187 VanDerWaalsContact NH2-O 3.08Å; R137-L194 HydrophobicContact CG-CD1 3.54Å; R137-L194 HydrophobicContact CG-CD2 4.26Å
138K90.3Very high82.1Confident111 Ų11167.4 Ų67.448%0.48334%0.344SS..Hα-helixtrans-65.1-38.2179.9-170.3166.2-174.8171.20112.5F134 V135 V140 E141 E142F134-K138 PolarHBondContact O-N 3.11Å; V135-K138 PolarHBondContact O-N 2.85Å; K138-V140 PolarHBondContact O-N 3.38Å; K138-E141 WeakPolarHBondContact O-CB 3.49Å; K138-E141 PolarHBondContact O-N 2.94Å; K138-E142 WeakPolarHBondContact O-CG 3.13Å; K138-E142 PolarHBondContact O-N 3.48Å
139M89.6Confident84.5Confident97 Ų9763 Ų6348%0.47832%0.321SS..Hα-helixtrans-62.3-41.1174.7-71.4177.170.300112.3V135 L136 R137 V143 L198V135-M139 HydrophobicContact CG1-CG 4.39Å; V135-M139 HydrophobicContact CG1-SD 3.95Å; V135-M139 WeakPolarHBondContact O-CG 3.43Å; V135-M139 PolarHBondContact O-N 3.38Å; L136-M139 PolarHBondContact O-N 3.3Å; R137-M139 PolarHBondContact O-N 3.02Å; M139-V143 WeakPolarHBondContact O-CG2 3.37Å; M139-V143 PolarHBondContact O-N 3.16Å; M139-L198 HydrophobicContact CB-CD1 3.92Å; M139-L198 HydrophobicContact CB-CD2 3.9Å; M139-L198 HydrophobicContact CE-CD1 4.22Å; M139-L198 HydrophobicContact SD-CD1 4.41Å
140V94.3Very high86.4Confident0 Ų065.9 Ų65.90%033%0.328CS..Hα-helixtrans-68.8-35174.7173.20000111.6L136 R137 K138 V143 F144 P186 Y189 L194 I197 L198L136-V140 WeakPolarHBondContact O-CG2 3.3Å; L136-V140 PolarHBondContact O-N 2.83Å; L136-V140 VanDerWaalsContact O-N 3.08Å; R137-V140 PolarHBondContact O-N 2.86Å; K138-V140 PolarHBondContact O-N 3.38Å; V140-V143 PolarHBondContact O-N 3.11Å; V140-F144 HydrophobicContact CG1-CD1 4.28Å; V140-F144 HydrophobicContact CG1-CD2 4.02Å; V140-F144 HydrophobicContact CG1-CE1 4.06Å; V140-F144 HydrophobicContact CG1-CE2 3.8Å; V140-F144 HydrophobicContact CG1-CG 4.27Å; V140-F144 HydrophobicContact CG1-CZ 3.82Å; V140-F144 WeakPolarHBondContact O-CB 3.22Å; V140-F144 WeakPolarHBondContact O-CG 3.32Å; V140-F144 PolarHBondContact O-N 3Å; V140-P186 HydrophobicContact CB-CB 4.41Å; V140-P186 HydrophobicContact CG1-CB 4.36Å; V140-P186 HydrophobicContact CG1-CG 4.17Å; V140-Y189 HydrophobicContact CG1-CE2 4.49Å; V140-L194 HydrophobicContact CB-CD2 3.97Å; V140-L194 HydrophobicContact CG1-CD2 4.34Å; V140-L194 HydrophobicContact CG2-CB 4.42Å; V140-L194 HydrophobicContact CG2-CD2 3.71Å; V140-I197 HydrophobicContact CG1-CD1 4.46Å; V140-I197 HydrophobicContact CG1-CG2 3.86Å; V140-I197 HydrophobicContact CG2-CB 4.27Å; V140-I197 HydrophobicContact CG2-CG2 3.98Å; V140-L198 HydrophobicContact CG2-CD1 4.21Å; V140-L198 HydrophobicContact CG2-CD2 3.7Å; V140-L198 HydrophobicContact CG2-CG 3.66Å
141E93.5Very high88.1Confident93 Ų9360.1 Ų60.144%0.43531%0.306SS..Hα-helixtrans-62-46.1176.7-161.1161.8-150.500112.8R137 K138 T145 P186R137-E141 WeakPolarHBondContact O-CB 3.19Å; R137-E141 PolarHBondContact O-N 3.36Å; K138-E141 WeakPolarHBondContact O-CB 3.49Å; K138-E141 PolarHBondContact O-N 2.94Å; E141-T145 VanDerWaalsContact O-CB 3.29Å; E141-T145 WeakPolarHBondContact O-CB 3.38Å; E141-T145 PolarHBondContact O-N 3.02Å; E141-T145 PolarHBondContact O-OG1 2.97Å; E141-P186 HydrophobicContact CB-CB 4.48Å; E141-P186 HydrophobicContact CB-CG 3.8Å; E141-P186 HydrophobicContact CG-CG 4.17Å
142E92.5Very high89.5Confident97 Ų9760 Ų6045%0.45330%0.299SS..Hα-helixtrans-63-45.5174.9-63.6-71166.900111.1K138 F144 T145 V146K138-E142 WeakPolarHBondContact O-CG 3.13Å; K138-E142 PolarHBondContact O-N 3.48Å; E142-F144 PolarHBondContact O-N 3.13Å; E142-T145 PolarHBondContact O-N 2.79Å; E142-V146 WeakPolarHBondContact O-CG2 3.38Å; E142-V146 PolarHBondContact O-N 3.5Å
143V92.1Very high90.1Very high39 Ų3958.3 Ų58.324%0.23631%0.308CS..Hα-helixtrans-60.1-47.9178.3168.60000111.6M139 V140 T145 V146 L147 L198M139-V143 WeakPolarHBondContact O-CG2 3.37Å; M139-V143 PolarHBondContact O-N 3.16Å; V140-V143 PolarHBondContact O-N 3.11Å; V143-T145 VanDerWaalsContact C-N 3.32Å; V143-T145 PolarHBondContact O-N 3.5Å; V143-V146 PolarHBondContact O-N 3.04Å; V143-L147 HydrophobicContact CG1-CD1 3.89Å; V143-L147 WeakPolarHBondContact O-CG 3.46Å; V143-L147 PolarHBondContact O-N 3Å; V143-L198 HydrophobicContact CG2-CD2 4.24Å
144F93.8Very high90Very high0 Ų062.5 Ų62.50%033%0.325CS..Hα-helixtrans-66.7-33.6177.9-72.7-0.7000112.4V140 E142 Y148 V160 Y162 L177 L183 Y189 I197 I204 F206V140-F144 HydrophobicContact CG1-CD1 4.28Å; V140-F144 HydrophobicContact CG1-CD2 4.02Å; V140-F144 HydrophobicContact CG1-CE1 4.06Å; V140-F144 HydrophobicContact CG1-CE2 3.8Å; V140-F144 HydrophobicContact CG1-CG 4.27Å; V140-F144 HydrophobicContact CG1-CZ 3.82Å; V140-F144 WeakPolarHBondContact O-CB 3.22Å; V140-F144 WeakPolarHBondContact O-CG 3.32Å; V140-F144 PolarHBondContact O-N 3Å; E142-F144 PolarHBondContact O-N 3.13Å; F144-Y148 VanDerWaalsContact O-CB 3.28Å; F144-Y148 WeakPolarHBondContact O-CB 3.46Å; F144-Y148 PolarHBondContact O-N 2.58Å; F144-V160 HydrophobicContact CB-CG2 4.16Å; F144-V160 WeakPolarHBondContact O-CG2 3.17Å; F144-Y162 HydrophobicContact CD2-CE1 4.29Å; F144-L177 HydrophobicContact CE1-CD2 4.33Å; F144-L177 HydrophobicContact CZ-CD2 4.05Å; F144-L183 HydrophobicContact CD2-CD1 3.57Å; F144-L183 HydrophobicContact CE2-CD1 3.44Å; F144-L183 VanDerWaalsContact CE2-CD1 3.44Å; F144-L183 HydrophobicContact CG-CD1 4.28Å; F144-L183 HydrophobicContact CZ-CD1 4.08Å; F144-Y189 AromaticContact CE2-CE2 3.87Å; F144-Y189 HydrophobicContact CE2-CE2 3.87Å; F144-Y189 HydrophobicContact CZ-CE2 4.32Å; F144-I197 HydrophobicContact CE1-CG2 3.63Å; F144-I197 HydrophobicContact CZ-CD1 4.26Å; F144-I197 HydrophobicContact CZ-CG2 3.8Å; F144-I204 HydrophobicContact CE1-CD1 4.32Å; F144-F206 HydrophobicContact CB-CE2 4.19Å; F144-F206 HydrophobicContact CB-CZ 4.08Å; F144-F206 HydrophobicContact CD1-CE1 4.47Å; F144-F206 AromaticContact CD1-CZ 3.78Å; F144-F206 HydrophobicContact CD1-CZ 3.78Å; F144-F206 HydrophobicContact CD2-CZ 4.43Å; F144-F206 HydrophobicContact CE1-CZ 4.27Å; F144-F206 HydrophobicContact CG-CE2 4.46Å; F144-F206 AromaticContact CG-CZ 3.86Å; F144-F206 HydrophobicContact CG-CZ 3.86Å
145T92.3Very high89.2Confident20 Ų2061 Ų6112%0.12333%0.331CS..Hα-helixtrans-66-42.1175.5-61.10000111.7E141 E142 V143 S149 L157E141-T145 VanDerWaalsContact O-CB 3.29Å; E141-T145 WeakPolarHBondContact O-CB 3.38Å; E141-T145 PolarHBondContact O-N 3.02Å; E141-T145 PolarHBondContact O-OG1 2.97Å; E142-T145 PolarHBondContact O-N 2.79Å; V143-T145 VanDerWaalsContact C-N 3.32Å; V143-T145 PolarHBondContact O-N 3.5Å; T145-S149 WeakPolarHBondContact O-CB 3.18Å; T145-S149 PolarHBondContact O-N 2.88Å; T145-S149 PolarHBondContact O-OG 3.38Å; T145-L157 HydrophobicContact CG2-CB 4.08Å; T145-L157 HydrophobicContact CG2-CD2 4.4Å
146V92.9Very high88.7Confident71 Ų7160.8 Ų60.843%0.4333%0.333SS..Hα-helixtrans-62.6-53.6174171.90000110.7E142 V143 Y148 S149 E150 L157E142-V146 WeakPolarHBondContact O-CG2 3.38Å; E142-V146 PolarHBondContact O-N 3.5Å; V143-V146 PolarHBondContact O-N 3.04Å; V146-Y148 VanDerWaalsContact C-N 3.29Å; V146-Y148 PolarHBondContact O-N 3.03Å; V146-S149 WeakPolarHBondContact O-CB 3.08Å; V146-S149 PolarHBondContact O-N 3.15Å; V146-E150 PolarHBondContact O-N 3.34Å; V146-L157 HydrophobicContact CG2-CD2 3.85Å
147L91.4Very high88.6Confident24 Ų2464.9 Ų64.913%0.12636%0.355CS..Hα-helixtrans-61.5-34.9-177.5-67.7172.3000112.9V143 A151 I204 F206V143-L147 HydrophobicContact CG1-CD1 3.89Å; V143-L147 WeakPolarHBondContact O-CG 3.46Å; V143-L147 PolarHBondContact O-N 3Å; L147-A151 WeakPolarHBondContact O-CB 3.47Å; L147-A151 PolarHBondContact O-N 3.07Å; L147-I204 HydrophobicContact CD1-CB 3.89Å; L147-I204 HydrophobicContact CD1-CG2 3.75Å; L147-I204 WeakPolarHBondContact CD2-O 3.45Å; L147-F206 HydrophobicContact CB-CD1 4.45Å; L147-F206 HydrophobicContact CB-CD2 4.08Å; L147-F206 HydrophobicContact CB-CE2 4.25Å; L147-F206 HydrophobicContact CB-CG 4.18Å
148Y91.3Very high88.4Confident25 Ų2562.3 Ų62.310%0.09835%0.349CS..Hα-helixtrans-71.5-37.8173.9-177-119.7000113F144 V146 E150 A151 L152 V158 V160 P161 V172 F206F144-Y148 VanDerWaalsContact O-CB 3.28Å; F144-Y148 WeakPolarHBondContact O-CB 3.46Å; F144-Y148 PolarHBondContact O-N 2.58Å; V146-Y148 VanDerWaalsContact C-N 3.29Å; V146-Y148 PolarHBondContact O-N 3.03Å; Y148-E150 VanDerWaalsContact C-N 3.33Å; Y148-A151 PolarHBondContact O-N 2.87Å; Y148-L152 HydrophobicContact CD1-CD1 4.17Å; Y148-L152 HydrophobicContact CD2-CG 4.5Å; Y148-L152 HydrophobicContact CE1-CD1 3.59Å; Y148-L152 HydrophobicContact CE1-CG 4.36Å; Y148-L152 HydrophobicContact CE2-CD1 4.15Å; Y148-L152 HydrophobicContact CE2-CD2 4.3Å; Y148-L152 HydrophobicContact CE2-CG 4.08Å; Y148-L152 WeakPolarHBondContact O-CG 3.37Å; Y148-L152 PolarHBondContact O-N 2.97Å; Y148-V158 HydrophobicContact CD1-CB 4.49Å; Y148-V158 HydrophobicContact CD1-CG1 4.32Å; Y148-V158 HydrophobicContact CE1-CG1 3.94Å; Y148-V160 HydrophobicContact CD1-CB 4.46Å; Y148-V160 HydrophobicContact CD1-CG2 4.26Å; Y148-V160 HydrophobicContact CG-CG2 4.24Å; Y148-P161 HydrophobicContact CE1-CG 4.12Å; Y148-P161 VanDerWaalsContact CZ-CD 3.46Å; Y148-P161 WeakPolarHBondContact OH-CG 3.48Å; Y148-V172 HydrophobicContact CD2-CG1 4.32Å; Y148-V172 HydrophobicContact CD2-CG2 4.11Å; Y148-V172 HydrophobicContact CE2-CG2 3.56Å; Y148-F206 HydrophobicContact CD2-CD2 4.47Å
149S91.5Very high88.2Confident4 Ų462 Ų623%0.02836%0.358CS..Hα-helixtrans-64.6-41176.1-54.90000111.2T145 V146 L152 G153 K154 L157 V158T145-S149 WeakPolarHBondContact O-CB 3.18Å; T145-S149 PolarHBondContact O-N 2.88Å; T145-S149 PolarHBondContact O-OG 3.38Å; V146-S149 WeakPolarHBondContact O-CB 3.08Å; V146-S149 PolarHBondContact O-N 3.15Å; S149-L152 PolarHBondContact O-N 3.37Å; S149-G153 PolarHBondContact O-N 3.33Å; S149-K154 PolarHBondContact O-N 3Å; S149-L157 WeakPolarHBondContact OG-CA 3.41Å; S149-V158 PolarHBondContact OG-N 3.33Å
150E89.3Confident88.2Confident138 Ų13857.8 Ų57.865%0.64534%0.338SS*.Hα-helixtrans-63.2-46.3173.5-172.8172.9-176.900111.8V146 Y148 L152 G153V146-E150 PolarHBondContact O-N 3.34Å; Y148-E150 VanDerWaalsContact C-N 3.33Å; E150-L152 PolarHBondContact O-N 3.08Å; E150-G153 PolarHBondContact O-N 3.13Å
151A88.6Confident87.8Confident28 Ų2858.9 Ų58.923%0.23135%0.345CS..Hα-helixtrans-59.8-28.2174.900000113.9L147 Y148 F206 A208L147-A151 WeakPolarHBondContact O-CB 3.47Å; L147-A151 PolarHBondContact O-N 3.07Å; Y148-A151 PolarHBondContact O-N 2.87Å; A151-F206 HydrophobicContact CB-CB 3.78Å; A151-F206 WeakPolarHBondContact CB-O 3.42Å; A151-A208 HydrophobicContact CB-CB 4.16Å
152L85.7Confident87.5Confident60 Ų6055.3 Ų55.331%0.31433%0.328SS..THydrogen-bonded Turntrans-86.4-5.6172.9-69.2-178.5000113.9Y148 S149 E150 K154 V158 A208Y148-L152 HydrophobicContact CD1-CD1 4.17Å; Y148-L152 HydrophobicContact CD2-CG 4.5Å; Y148-L152 HydrophobicContact CE1-CD1 3.59Å; Y148-L152 HydrophobicContact CE1-CG 4.36Å; Y148-L152 HydrophobicContact CE2-CD1 4.15Å; Y148-L152 HydrophobicContact CE2-CD2 4.3Å; Y148-L152 HydrophobicContact CE2-CG 4.08Å; Y148-L152 WeakPolarHBondContact O-CG 3.37Å; Y148-L152 PolarHBondContact O-N 2.97Å; S149-L152 PolarHBondContact O-N 3.37Å; E150-L152 PolarHBondContact O-N 3.08Å; L152-K154 VanDerWaalsContact C-N 3.28Å; L152-K154 HydrophobicContact CB-CB 4.48Å; L152-K154 HydrophobicContact CB-CD 3.97Å; L152-K154 HydrophobicContact CB-CG 4.03Å; L152-K154 HydrophobicContact CD1-CD 4.05Å; L152-K154 PolarHBondContact O-N 3.25Å; L152-V158 HydrophobicContact CD1-CB 4.43Å; L152-V158 HydrophobicContact CD1-CG1 4.2Å; L152-A208 HydrophobicContact CD2-CB 3.95Å
153G83.1Confident87.1Confident72 Ų7255.1 Ų55.174%0.74233%0.327SS*.THydrogen-bonded Turntrans67.823.4-174.200000114.2S149 E150S149-G153 PolarHBondContact O-N 3.33Å; E150-G153 PolarHBondContact O-N 3.13Å
154K82.7Confident86.3Confident105 Ų10561.9 Ų61.946%0.45735%0.348SS..  trans-102.3125-174.1-69.6176.8-179.7179.30111.2S149 L152 S156 V158S149-K154 PolarHBondContact O-N 3Å; L152-K154 VanDerWaalsContact C-N 3.28Å; L152-K154 HydrophobicContact CB-CB 4.48Å; L152-K154 HydrophobicContact CB-CD 3.97Å; L152-K154 HydrophobicContact CB-CG 4.03Å; L152-K154 HydrophobicContact CD1-CD 4.05Å; L152-K154 PolarHBondContact O-N 3.25Å; K154-S156 PolarHBondContact O-N 3.48Å; K154-V158 HydrophobicContact CB-CG2 4.39Å; K154-V158 HydrophobicContact CD-CG2 3.61Å
155S70.9Confident85.8Confident108 Ų10862.3 Ų62.376%0.75535%0.35SS*.SBendtrans-8113.8175.268.80000114.1K343S155-K343 PolarHBondContact OG-NZ 2.97Å
156S76.3Confident85.2Confident74 Ų7467.6 Ų67.652%0.51737%0.374SS..SBendtrans-119.7139.3172.852.20000108.5K154 V158K154-S156 PolarHBondContact O-N 3.48Å; S156-V158 PolarHBondContact O-N 3.37Å
157L87.1Confident84.5Confident109 Ų10972.7 Ų72.757%0.57139%0.39SS*.  trans-64.2118.3177.7-63.4178000109.9T145 V146 S149T145-L157 HydrophobicContact CG2-CB 4.08Å; T145-L157 HydrophobicContact CG2-CD2 4.4Å; V146-L157 HydrophobicContact CG2-CD2 3.85Å; S149-L157 WeakPolarHBondContact OG-CA 3.41Å
158V86.4Confident83.9Confident34 Ų3475.6 Ų75.621%0.20641%0.405CS..  trans-107.5118.5175.1-179.80000108.6Y148 S149 L152 K154 S156 V160Y148-V158 HydrophobicContact CD1-CB 4.49Å; Y148-V158 HydrophobicContact CD1-CG1 4.32Å; Y148-V158 HydrophobicContact CE1-CG1 3.94Å; S149-V158 PolarHBondContact OG-N 3.33Å; L152-V158 HydrophobicContact CD1-CB 4.43Å; L152-V158 HydrophobicContact CD1-CG1 4.2Å; K154-V158 HydrophobicContact CB-CG2 4.39Å; K154-V158 HydrophobicContact CD-CG2 3.61Å; S156-V158 PolarHBondContact O-N 3.37Å; V158-V160 PolarHBondContact O-N 3.06Å
159P87.3Confident83Confident103 Ų10378.9 Ų78.967%0.66943%0.43SS*.  trans-55.2138.7174.5-26.235.2000112.1P161P159-P161 WeakPolarHBondContact O-CD 3.42Å
160V89.6Confident82.1Confident9 Ų980.2 Ų80.26%0.05545%0.445CS..  trans-70.8121.6-178.5-172.90000110.1F144 Y148 V158 Y162 I165F144-V160 HydrophobicContact CB-CG2 4.16Å; F144-V160 WeakPolarHBondContact O-CG2 3.17Å; Y148-V160 HydrophobicContact CD1-CB 4.46Å; Y148-V160 HydrophobicContact CD1-CG2 4.26Å; Y148-V160 HydrophobicContact CG-CG2 4.24Å; V158-V160 PolarHBondContact O-N 3.06Å; V160-Y162 VanDerWaalsContact C-N 3.26Å; V160-Y162 HydrophobicContact CB-CD1 4.47Å; V160-Y162 HydrophobicContact CB-CD2 4.16Å; V160-Y162 HydrophobicContact CB-CE1 4.03Å; V160-Y162 HydrophobicContact CB-CE2 3.72Å; V160-Y162 HydrophobicContact CG1-CD1 3.94Å; V160-Y162 HydrophobicContact CG1-CD2 4.4Å; V160-Y162 HydrophobicContact CG1-CE1 3.73Å; V160-Y162 HydrophobicContact CG1-CE2 4.24Å; V160-Y162 HydrophobicContact CG1-CG 4.27Å; V160-Y162 WeakPolarHBondContact O-CD2 3.12Å; V160-Y162 WeakPolarHBondContact O-CE2 3.18Å; V160-Y162 PolarHBondContact O-N 2.99Å; V160-I165 HydrophobicContact CG1-CD1 3.53Å
161P86.5Confident81.6Confident23 Ų2375.3 Ų75.315%0.14943%0.425CS..  trans-82.671.3-179.134.3-35.9000110.3Y148 P159 E163 W164 I165Y148-P161 HydrophobicContact CE1-CG 4.12Å; Y148-P161 VanDerWaalsContact CZ-CD 3.46Å; Y148-P161 WeakPolarHBondContact OH-CG 3.48Å; P159-P161 WeakPolarHBondContact O-CD 3.42Å; P161-E163 PolarHBondContact O-N 3.19Å; P161-E163 VanDerWaalsContact O-N 3.15Å; P161-W164 HydrophobicContact CB-CB 4.23Å; P161-W164 HydrophobicContact CB-CD2 4.05Å; P161-W164 HydrophobicContact CB-CE3 3.84Å; P161-W164 HydrophobicContact CB-CG 4.24Å; P161-W164 HydrophobicContact CG-CE3 4.15Å; P161-W164 PolarHBondContact O-N 3.26Å; P161-I165 PolarHBondContact O-N 2.83Å; P161-I165 VanDerWaalsContact O-N 3.08Å
162Y86.1Confident81.4Confident19 Ų1974.3 Ų74.38%0.07542%0.416CS..Hα-helixtrans-53.6-36.3-176.5-61.3-79.7000112.8F144 V160 W164 I165 Q166 L183 K184 K185 P186F144-Y162 HydrophobicContact CD2-CE1 4.29Å; V160-Y162 VanDerWaalsContact C-N 3.26Å; V160-Y162 HydrophobicContact CB-CD1 4.47Å; V160-Y162 HydrophobicContact CB-CD2 4.16Å; V160-Y162 HydrophobicContact CB-CE1 4.03Å; V160-Y162 HydrophobicContact CB-CE2 3.72Å; V160-Y162 HydrophobicContact CG1-CD1 3.94Å; V160-Y162 HydrophobicContact CG1-CD2 4.4Å; V160-Y162 HydrophobicContact CG1-CE1 3.73Å; V160-Y162 HydrophobicContact CG1-CE2 4.24Å; V160-Y162 HydrophobicContact CG1-CG 4.27Å; V160-Y162 WeakPolarHBondContact O-CD2 3.12Å; V160-Y162 WeakPolarHBondContact O-CE2 3.18Å; V160-Y162 PolarHBondContact O-N 2.99Å; Y162-W164 PolarHBondContact O-N 3.07Å; Y162-I165 PolarHBondContact O-N 2.98Å; Y162-Q166 WeakPolarHBondContact O-CB 3.46Å; Y162-Q166 PolarHBondContact O-N 2.94Å; Y162-L183 HydrophobicContact CE1-CD1 4.33Å; Y162-K184 WeakPolarHBondContact CE1-O 3.26Å; Y162-K185 HydrophobicContact CD1-CG 4.09Å; Y162-K185 HydrophobicContact CD2-CD 4.47Å; Y162-K185 HydrophobicContact CD2-CG 3.63Å; Y162-K185 HydrophobicContact CE2-CG 4.26Å; Y162-K185 HydrophobicContact CG-CB 4.48Å; Y162-K185 HydrophobicContact CG-CG 3.52Å; Y162-P186 WeakPolarHBondContact OH-CD 3.43Å
163E84.1Confident81.3Confident92 Ų9274.6 Ų74.643%0.4342%0.42SS..Hα-helixtrans-64.7-21.7176.6-67.683.3171.400114.3P161 K167 K185P161-E163 PolarHBondContact O-N 3.19Å; P161-E163 VanDerWaalsContact O-N 3.15Å; E163-K167 WeakPolarHBondContact O-CD 3.42Å; E163-K167 WeakPolarHBondContact O-CG 3.28Å; E163-K185 WeakPolarHBondContact OE1-CE 3.33Å; E163-K185 IonicContact OE1-NZ 3.34Å; E163-K185 PolarHBondContact OE1-NZ 2.89Å; E163-K185 IonicContact OE2-NZ 3.05Å
164W76.1Confident81.6Confident181 Ų18172.5 Ų72.569%0.68640%0.396SS*.Hα-helixtrans-93.7-43.1175.8-64-7.3000110.5P161 Y162 Q166 K167 D168P161-W164 HydrophobicContact CB-CB 4.23Å; P161-W164 HydrophobicContact CB-CD2 4.05Å; P161-W164 HydrophobicContact CB-CE3 3.84Å; P161-W164 HydrophobicContact CB-CG 4.24Å; P161-W164 HydrophobicContact CG-CE3 4.15Å; P161-W164 PolarHBondContact O-N 3.26Å; Y162-W164 PolarHBondContact O-N 3.07Å; W164-Q166 PolarHBondContact O-N 3.38Å; W164-K167 WeakPolarHBondContact O-CA 3.42Å; W164-K167 PolarHBondContact O-N 3.29Å; W164-D168 PolarHBondContact O-N 3.25Å
165I83.6Confident81.6Confident9 Ų971 Ų715%0.04639%0.39CS..Hα-helixtrans-61-34.4175.5-60.8171000111.3V160 P161 Y162 K167 D168 P169 V172 L183V160-I165 HydrophobicContact CG1-CD1 3.53Å; P161-I165 PolarHBondContact O-N 2.83Å; P161-I165 VanDerWaalsContact O-N 3.08Å; Y162-I165 PolarHBondContact O-N 2.98Å; I165-K167 VanDerWaalsContact C-N 3.28Å; I165-K167 PolarHBondContact O-N 3.36Å; I165-D168 CarbonylContact O-C 3.57Å; I165-D168 VanDerWaalsContact O-C 3.31Å; I165-P169 WeakPolarHBondContact O-CA 3.5Å; I165-V172 HydrophobicContact CD1-CB 4.01Å; I165-V172 HydrophobicContact CD1-CG1 4.38Å; I165-V172 HydrophobicContact CD1-CG2 3.88Å; I165-V172 HydrophobicContact CG1-CB 4.07Å; I165-V172 HydrophobicContact CG1-CG2 3.88Å; I165-V172 HydrophobicContact CG2-CB 4.48Å; I165-L183 HydrophobicContact CD1-CD2 4.17Å; I165-L183 HydrophobicContact CG2-CD2 4.1Å
166Q78.9Confident82.2Confident132 Ų13267.6 Ų67.662%0.61737%0.373SS*.THydrogen-bonded Turntrans-72.5-18.5174.8-170.4172.946.800113.5Y162 W164Y162-Q166 WeakPolarHBondContact O-CB 3.46Å; Y162-Q166 PolarHBondContact O-N 2.94Å; W164-Q166 PolarHBondContact O-N 3.38Å
167K78.5Confident82.8Confident178 Ų17865.5 Ų65.577%0.77436%0.355SS*.THydrogen-bonded Turntrans-96.4-35.6177.9-71.4178.8-176.8-1790112.9E163 W164 I165E163-K167 WeakPolarHBondContact O-CD 3.42Å; E163-K167 WeakPolarHBondContact O-CG 3.28Å; W164-K167 WeakPolarHBondContact O-CA 3.42Å; W164-K167 PolarHBondContact O-N 3.29Å; I165-K167 VanDerWaalsContact C-N 3.28Å; I165-K167 PolarHBondContact O-N 3.36Å
168D77.6Confident82.7Confident84 Ų8461 Ų6145%0.44933%0.333SS..  trans-127.890.5168.5177.816.6000110.2W164 I165 G170 C171W164-D168 PolarHBondContact O-N 3.25Å; I165-D168 CarbonylContact O-C 3.57Å; I165-D168 VanDerWaalsContact O-C 3.31Å; D168-G170 PolarHBondContact O-N 3.09Å; D168-G170 VanDerWaalsContact OD1-CA 3.29Å; D168-G170 WeakPolarHBondContact OD1-CA 3.47Å; D168-G170 PolarHBondContact OD1-N 2.95Å; D168-C171 HydrophobicContact CB-CB 4.41Å; D168-C171 PolarHBondContact O-N 3.47Å; D168-C171 PolarHBondContact O-SG 3.38Å
169P72.9Confident82.2Confident94 Ų9469.1 Ų69.161%0.6137%0.368SS*.THydrogen-bonded Turntrans-61.2-11.9173.5-24.435.5000114.1I165I165-P169 WeakPolarHBondContact O-CA 3.5Å
170G72.3Confident81.7Confident33 Ų3368.1 Ų68.134%0.3438%0.376SS..THydrogen-bonded Turntrans-81.9-9174.100000114.6D168 K209D168-G170 PolarHBondContact O-N 3.09Å; D168-G170 VanDerWaalsContact OD1-CA 3.29Å; D168-G170 WeakPolarHBondContact OD1-CA 3.47Å; D168-G170 PolarHBondContact OD1-N 2.95Å; G170-K209 WeakPolarHBondContact O-CB 3.22Å
171C79.2Confident81.5Confident34 Ų3469 Ų6923%0.2338%0.382CS..SBendtrans-80.2-29.3178.778.40000113.2D168 A208 K209D168-C171 HydrophobicContact CB-CB 4.41Å; D168-C171 PolarHBondContact O-N 3.47Å; D168-C171 PolarHBondContact O-SG 3.38Å; C171-A208 WeakPolarHBondContact O-CA 3.4Å; C171-K209 PolarHBondContact O-N 3.4Å
172V84.6Confident81.5Confident8 Ų872.4 Ų72.45%0.04840%0.402CS..EExtended strand (participates in β ladder)trans-142.2109.2176.8-177.10000109.8Y148 I165 L183 F206Y148-V172 HydrophobicContact CD2-CG1 4.32Å; Y148-V172 HydrophobicContact CD2-CG2 4.11Å; Y148-V172 HydrophobicContact CE2-CG2 3.56Å; I165-V172 HydrophobicContact CD1-CB 4.01Å; I165-V172 HydrophobicContact CD1-CG1 4.38Å; I165-V172 HydrophobicContact CD1-CG2 3.88Å; I165-V172 HydrophobicContact CG1-CB 4.07Å; I165-V172 HydrophobicContact CG1-CG2 3.88Å; I165-V172 HydrophobicContact CG2-CB 4.48Å; V172-L183 HydrophobicContact CG1-CD2 4.32Å; V172-F206 HydrophobicContact CG1-CB 4.07Å; V172-F206 HydrophobicContact CG1-CD2 4.18Å; V172-F206 HydrophobicContact CG1-CG 4.21Å
173V84.4Confident81.6Confident66 Ų6672.9 Ų72.940%0.441%0.406SS..EExtended strand (participates in β ladder)trans-90.8120.2174.5-1750000109.2F206 T207V173-F206 CarbonylContact O-C 3.31Å; V173-F206 WeakPolarHBondContact O-CA 3.5Å; V173-T207 PolarHBondContact N-O 3.22Å; V173-T207 PolarHBondContact O-N 3.07Å
174A87.9Confident81.7Confident27 Ų2772.1 Ų72.122%0.22340%0.401CS..EExtended strand (participates in β ladder)trans-94.2113.2173.300000110.4L177 L183 F206A174-L177 HydrophobicContact CB-CD1 3.6Å; A174-L177 HydrophobicContact CB-CG 4.3Å; A174-L183 HydrophobicContact CB-CB 4.12Å; A174-L183 HydrophobicContact CB-CD2 4.11Å; A174-F206 HydrophobicContact CB-CD1 3.65Å; A174-F206 HydrophobicContact CB-CE1 3.62Å
175H84.4Confident82.4Confident73 Ų7366.8 Ų66.834%0.33838%0.382SS..EExtended strand (participates in β ladder)trans-94.9155.4175.3-55.1-88.5000110.1L177 I204 H205 T207H175-L177 VanDerWaalsContact C-N 3.27Å; H175-L177 PolarHBondContact O-N 2.92Å; H175-I204 VanDerWaalsContact O-CA 3.29Å; H175-I204 WeakPolarHBondContact O-CA 3.44Å; H175-H205 VanDerWaalsContact CB-CE1 3.41Å; H175-H205 WeakPolarHBondContact CB-CE1 3.25Å; H175-H205 WeakPolarHBondContact CB-NE2 3.42Å; H175-H205 AromaticContact CD2-CD2 3.8Å; H175-H205 AromaticContact CD2-NE2 3.83Å; H175-H205 AromaticContact CG-NE2 3.66Å; H175-H205 PolarHBondContact N-O 3.31Å; H175-H205 PolarHBondContact O-N 3.16Å; H175-H205 VanDerWaalsContact O-N 3.13Å; H175-T207 PolarHBondContact CD2-OG1 2.92Å; H175-T207 PolarHBondContact NE2-OG1 3.33Å
176G82.9Confident82.8Confident38 Ų3866.5 Ų66.539%0.39238%0.381SS..SBendtrans73.76.2172.400000116.6
177L87.6Confident83.2Confident30 Ų3063.5 Ų63.516%0.15738%0.375CS..PPolyproline II helixtrans-60.7152.4169-80.2167.9000111.4F144 A174 H175 V181 L183 I197 I204F144-L177 HydrophobicContact CE1-CD2 4.33Å; F144-L177 HydrophobicContact CZ-CD2 4.05Å; A174-L177 HydrophobicContact CB-CD1 3.6Å; A174-L177 HydrophobicContact CB-CG 4.3Å; H175-L177 VanDerWaalsContact C-N 3.27Å; H175-L177 PolarHBondContact O-N 2.92Å; L177-V181 HydrophobicContact CD2-CG1 4.45Å; L177-L183 HydrophobicContact CD1-CB 4.32Å; L177-I197 HydrophobicContact CD2-CG1 4.44Å; L177-I204 HydrophobicContact CD2-CD1 3.92Å; L177-I204 HydrophobicContact CD2-CG1 4.5Å; L177-I204 HydrophobicContact CD2-CG2 4.39Å; L177-I204 HydrophobicContact CG-CG2 4.4Å
178P86.8Confident83.6Confident14 Ų1458.9 Ų58.99%0.09136%0.356CS..PPolyproline II helixtrans-57.7147.7174.4-22.432.9000112.5G180 V181 K196 I197 H200P178-G180 PolarHBondContact O-N 3.48Å; P178-V181 HydrophobicContact CB-CG2 3.94Å; P178-V181 HydrophobicContact CG-CG2 4.46Å; P178-V181 VanDerWaalsContact O-CB 3.29Å; P178-V181 WeakPolarHBondContact O-CB 3.42Å; P178-V181 WeakPolarHBondContact O-CG2 3.44Å; P178-V181 PolarHBondContact O-N 2.99Å; P178-K196 HydrophobicContact CB-CB 4.39Å; P178-K196 HydrophobicContact CG-CB 4.04Å; P178-I197 HydrophobicContact CG-CG1 4.29Å; P178-H200 HydrophobicContact CG-CB 4.26Å
179E76.1Confident84.3Confident205 Ų20555.6 Ų55.696%0.95834%0.337SS*.THydrogen-bonded Turntrans-55.8127.7-175.4-169.2171.9-159.800112.4
180G76.4Confident85.1Confident81 Ų8154.8 Ų54.884%0.83533%0.328SS*.THydrogen-bonded Turntrans83.1-3.1-175.200000116P178P178-G180 PolarHBondContact O-N 3.48Å
181V85.4Confident86Confident28 Ų2856.1 Ų56.117%0.1733%0.33CS..PPolyproline II helixtrans-95.9123.8-179.1-175.50000111.3L177 P178 Y189 T193 I197L177-V181 HydrophobicContact CD2-CG1 4.45Å; P178-V181 HydrophobicContact CB-CG2 3.94Å; P178-V181 HydrophobicContact CG-CG2 4.46Å; P178-V181 VanDerWaalsContact O-CB 3.29Å; P178-V181 WeakPolarHBondContact O-CB 3.42Å; P178-V181 WeakPolarHBondContact O-CG2 3.44Å; P178-V181 PolarHBondContact O-N 2.99Å; V181-Y189 HydrophobicContact CG1-CE1 3.76Å; V181-T193 HydrophobicContact CG1-CG2 3.9Å; V181-T193 HydrophobicContact CG2-CG2 3.81Å; V181-I197 HydrophobicContact CG1-CD1 4.12Å; V181-I197 HydrophobicContact CG1-CG1 4.4Å
182V85.3Confident86.5Confident94 Ų9462.3 Ų62.357%0.5735%0.353SS*.PPolyproline II helixtrans-99.8152.4172.7-66.10000111.6K184 Y189V182-K184 HydrophobicContact CG2-CD 3.96Å; V182-K184 HydrophobicContact CG2-CG 4.17Å; V182-K184 PolarHBondContact O-N 3.5Å; V182-Y189 PolarHBondContact O-OH 3.24Å
183L88.3Confident86.8Confident30 Ų3063.3 Ų63.316%0.15736%0.359CS..PPolyproline II helixtrans-66.6120.1177.8179.457.4000111.1F144 Y162 I165 V172 A174 L177 F206F144-L183 HydrophobicContact CD2-CD1 3.57Å; F144-L183 HydrophobicContact CE2-CD1 3.44Å; F144-L183 VanDerWaalsContact CE2-CD1 3.44Å; F144-L183 HydrophobicContact CG-CD1 4.28Å; F144-L183 HydrophobicContact CZ-CD1 4.08Å; Y162-L183 HydrophobicContact CE1-CD1 4.33Å; I165-L183 HydrophobicContact CD1-CD2 4.17Å; I165-L183 HydrophobicContact CG2-CD2 4.1Å; V172-L183 HydrophobicContact CG1-CD2 4.32Å; A174-L183 HydrophobicContact CB-CB 4.12Å; A174-L183 HydrophobicContact CB-CD2 4.11Å; L177-L183 HydrophobicContact CD1-CB 4.32Å; L183-F206 HydrophobicContact CD1-CE1 4.35Å; L183-F206 HydrophobicContact CD1-CE2 4.34Å; L183-F206 HydrophobicContact CD1-CZ 3.69Å; L183-F206 HydrophobicContact CD2-CE1 4.3Å; L183-F206 HydrophobicContact CD2-CE2 4.1Å; L183-F206 HydrophobicContact CD2-CZ 3.94Å; L183-F206 HydrophobicContact CG-CZ 4.49Å
184K87.7Confident87.2Confident75 Ų7560.2 Ų60.233%0.32634%0.34SS..  trans-148.9171.9-174.8-78.2175.7156.2-121.10110.4Y162 V182 E188 Y189Y162-K184 WeakPolarHBondContact CE1-O 3.26Å; V182-K184 HydrophobicContact CG2-CD 3.96Å; V182-K184 HydrophobicContact CG2-CG 4.17Å; V182-K184 PolarHBondContact O-N 3.5Å; K184-E188 HydrophobicContact CB-CB 4.38Å; K184-E188 HydrophobicContact CD-CB 4.48Å; K184-E188 WeakPolarHBondContact CD-OE2 3.49Å; K184-E188 WeakPolarHBondContact CE-OE2 3.36Å; K184-E188 IonicContact NZ-OE2 2.76Å; K184-E188 PolarHBondContact NZ-OE2 3.29Å; K184-Y189 HydrophobicContact CB-CE1 4.09Å; K184-Y189 PolarHBondContact N-OH 2.89Å
185K89.9Confident87.2Confident69 Ų6964 Ų6430%0.335%0.354SS..  trans-61140.1172-69.3-173.6173.2-169.90110.6Y162 E163 S187 E188Y162-K185 HydrophobicContact CD1-CG 4.09Å; Y162-K185 HydrophobicContact CD2-CD 4.47Å; Y162-K185 HydrophobicContact CD2-CG 3.63Å; Y162-K185 HydrophobicContact CE2-CG 4.26Å; Y162-K185 HydrophobicContact CG-CB 4.48Å; Y162-K185 HydrophobicContact CG-CG 3.52Å; E163-K185 WeakPolarHBondContact OE1-CE 3.33Å; E163-K185 IonicContact OE1-NZ 3.34Å; E163-K185 PolarHBondContact OE1-NZ 2.89Å; E163-K185 IonicContact OE2-NZ 3.05Å; K185-S187 WeakPolarHBondContact CB-OG 3.43Å; K185-S187 PolarHBondContact O-N 2.81Å; K185-S187 VanDerWaalsContact O-N 3.08Å; K185-E188 HydrophobicContact CB-CG 4.3Å; K185-E188 PolarHBondContact N-OE1 3.25Å; K185-E188 WeakPolarHBondContact O-CB 3.47Å; K185-E188 PolarHBondContact O-N 2.85Å
186P91.1Very high87.5Confident3 Ų366 Ų662%0.01936%0.362CS..G310 helixtrans-55.9-29.1177.1-28.436.1000114R137 V140 E141 Y162 E188 Y189 L194R137-P186 HydrophobicContact CB-CB 4.22Å; R137-P186 WeakPolarHBondContact CG-O 3.42Å; R137-P186 VanDerWaalsContact O-CB 3.3Å; R137-P186 WeakPolarHBondContact O-CB 3.18Å; V140-P186 HydrophobicContact CB-CB 4.41Å; V140-P186 HydrophobicContact CG1-CB 4.36Å; V140-P186 HydrophobicContact CG1-CG 4.17Å; E141-P186 HydrophobicContact CB-CB 4.48Å; E141-P186 HydrophobicContact CB-CG 3.8Å; E141-P186 HydrophobicContact CG-CG 4.17Å; Y162-P186 WeakPolarHBondContact OH-CD 3.43Å; P186-E188 PolarHBondContact O-N 3.02Å; P186-Y189 PolarHBondContact O-N 3.49Å; P186-L194 HydrophobicContact CB-CD2 4.49Å
187S88.1Confident88Confident70 Ų7064.1 Ų64.149%0.4934%0.343SS..G310 helixtrans-59.7-27.6173.251.70000114.5R137 K185R137-S187 PolarHBondContact NH2-O 3.32Å; R137-S187 VanDerWaalsContact NH2-O 3.08Å; K185-S187 WeakPolarHBondContact CB-OG 3.43Å; K185-S187 PolarHBondContact O-N 2.81Å; K185-S187 VanDerWaalsContact O-N 3.08Å
188E87.3Confident88.1Confident80 Ų8064.2 Ų64.237%0.37434%0.344SS..G310 helixtrans-83.9-13.9-178.2-65.4174.6-121.400113.8K184 K185 P186K184-E188 HydrophobicContact CB-CB 4.38Å; K184-E188 HydrophobicContact CD-CB 4.48Å; K184-E188 WeakPolarHBondContact CD-OE2 3.49Å; K184-E188 WeakPolarHBondContact CE-OE2 3.36Å; K184-E188 IonicContact NZ-OE2 2.76Å; K184-E188 PolarHBondContact NZ-OE2 3.29Å; K185-E188 HydrophobicContact CB-CG 4.3Å; K185-E188 PolarHBondContact N-OE1 3.25Å; K185-E188 WeakPolarHBondContact O-CB 3.47Å; K185-E188 PolarHBondContact O-N 2.85Å; P186-E188 PolarHBondContact O-N 3.02Å
189Y91.3Very high88.3Confident15 Ų1569.6 Ų69.66%0.05937%0.368CS..SBendtrans-85.2148177.6-60-54.6000112.1V140 F144 V181 V182 K184 P186 T193 L194 I197V140-Y189 HydrophobicContact CG1-CE2 4.49Å; F144-Y189 AromaticContact CE2-CE2 3.87Å; F144-Y189 HydrophobicContact CE2-CE2 3.87Å; F144-Y189 HydrophobicContact CZ-CE2 4.32Å; V181-Y189 HydrophobicContact CG1-CE1 3.76Å; V182-Y189 PolarHBondContact O-OH 3.24Å; K184-Y189 HydrophobicContact CB-CE1 4.09Å; K184-Y189 PolarHBondContact N-OH 2.89Å; P186-Y189 PolarHBondContact O-N 3.49Å; Y189-T193 HydrophobicContact CD1-CG2 3.64Å; Y189-T193 HydrophobicContact CE1-CG2 4.24Å; Y189-T193 HydrophobicContact CG-CG2 4.04Å; Y189-L194 HydrophobicContact CD2-CD2 3.89Å; Y189-L194 HydrophobicContact CG-CD2 4.32Å; Y189-I197 HydrophobicContact CD1-CD1 4.3Å; Y189-I197 HydrophobicContact CD2-CD1 3.72Å; Y189-I197 HydrophobicContact CE1-CD1 4.17Å; Y189-I197 HydrophobicContact CE2-CD1 3.58Å; Y189-I197 HydrophobicContact CG-CD1 4.1Å
190D90.1Very high88.7Confident78 Ų7862.4 Ų62.442%0.41733%0.334SS..  trans-79.4163.516785.1-73.4000111.4K192 T193 L194D190-K192 VanDerWaalsContact C-N 3.25Å; D190-K192 PolarHBondContact O-N 2.92Å; D190-K192 WeakPolarHBondContact OD2-CA 3.48Å; D190-K192 VanDerWaalsContact OD2-CB 3.22Å; D190-K192 WeakPolarHBondContact OD2-CB 3.41Å; D190-K192 PolarHBondContact OD2-N 3.48Å; D190-T193 PolarHBondContact O-N 3.06Å; D190-T193 VanDerWaalsContact O-N 3.16Å; D190-T193 WeakPolarHBondContact OD1-CB 3.46Å; D190-T193 PolarHBondContact OD1-N 3.43Å; D190-T193 PolarHBondContact OD1-OG1 3.3Å; D190-L194 WeakPolarHBondContact O-CG 3.42Å; D190-L194 PolarHBondContact O-N 3.32Å
191T90.7Very high89.4Confident60 Ų6060.5 Ų60.537%0.36831%0.308SS..Hα-helixtrans-55.7-35.6-177.3-33.70000113.7V133 L136 M195V133-T191 HydrophobicContact CG2-CG2 3.92Å; V133-T191 WeakPolarHBondContact CG2-OG1 3.46Å; L136-T191 HydrophobicContact CD1-CG2 3.75Å; T191-M195 VanDerWaalsContact O-CG 3.3Å; T191-M195 WeakPolarHBondContact O-CG 3.49Å; T191-M195 PolarHBondContact O-N 3.26Å; T191-M195 VanDerWaalsContact O-N 3.17Å
192K89.4Confident89.3Confident164 Ų16465.5 Ų65.571%0.71333%0.329SS*.Hα-helixtrans-75.2-38.6-178.6-56.5175.9-179.7175.70111.1D190 K196D190-K192 VanDerWaalsContact C-N 3.25Å; D190-K192 PolarHBondContact O-N 2.92Å; D190-K192 WeakPolarHBondContact OD2-CA 3.48Å; D190-K192 VanDerWaalsContact OD2-CB 3.22Å; D190-K192 WeakPolarHBondContact OD2-CB 3.41Å; D190-K192 PolarHBondContact OD2-N 3.48Å; K192-K196 WeakPolarHBondContact O-CG 3.5Å; K192-K196 PolarHBondContact O-N 3.03Å; K192-K196 VanDerWaalsContact O-N 3.08Å
193T91.5Very high89.4Confident30 Ų3068.3 Ų68.318%0.18433%0.329CS..Hα-helixtrans-67-42174.6-61.30000111.5V181 Y189 D190 M195 K196 I197V181-T193 HydrophobicContact CG1-CG2 3.9Å; V181-T193 HydrophobicContact CG2-CG2 3.81Å; Y189-T193 HydrophobicContact CD1-CG2 3.64Å; Y189-T193 HydrophobicContact CE1-CG2 4.24Å; Y189-T193 HydrophobicContact CG-CG2 4.04Å; D190-T193 PolarHBondContact O-N 3.06Å; D190-T193 VanDerWaalsContact O-N 3.16Å; D190-T193 WeakPolarHBondContact OD1-CB 3.46Å; D190-T193 PolarHBondContact OD1-N 3.43Å; D190-T193 PolarHBondContact OD1-OG1 3.3Å; T193-M195 PolarHBondContact O-N 3.02Å; T193-K196 PolarHBondContact O-N 3.36Å; T193-I197 HydrophobicContact CG2-CD1 3.81Å; T193-I197 HydrophobicContact CG2-CG1 4.33Å; T193-I197 VanDerWaalsContact O-CG1 3.29Å; T193-I197 WeakPolarHBondContact O-CG1 3.48Å; T193-I197 PolarHBondContact O-N 3.32Å
194L92.4Very high89.6Confident0 Ų067.1 Ų67.10%032%0.323CS..Hα-helixtrans-57.2-47.3174.3-69.4166.3000112.2L136 R137 V140 P186 Y189 D190 K196 I197 L198L136-L194 HydrophobicContact CB-CB 4.11Å; L136-L194 HydrophobicContact CB-CD1 4.14Å; R137-L194 HydrophobicContact CG-CD1 3.54Å; R137-L194 HydrophobicContact CG-CD2 4.26Å; V140-L194 HydrophobicContact CB-CD2 3.97Å; V140-L194 HydrophobicContact CG1-CD2 4.34Å; V140-L194 HydrophobicContact CG2-CB 4.42Å; V140-L194 HydrophobicContact CG2-CD2 3.71Å; P186-L194 HydrophobicContact CB-CD2 4.49Å; Y189-L194 HydrophobicContact CD2-CD2 3.89Å; Y189-L194 HydrophobicContact CG-CD2 4.32Å; D190-L194 WeakPolarHBondContact O-CG 3.42Å; D190-L194 PolarHBondContact O-N 3.32Å; L194-K196 PolarHBondContact O-N 3.45Å; L194-I197 PolarHBondContact O-N 2.91Å; L194-L198 WeakPolarHBondContact O-CG 3.46Å; L194-L198 PolarHBondContact O-N 3.22Å; L194-L198 VanDerWaalsContact O-N 3.11Å
195M89.3Confident89.6Confident107 Ų10768.3 Ų68.353%0.52733%0.33SS..Hα-helixtrans-59-46.4175.6-72.4-68.2-68.300112.1L136 T191 T193 I197 L198 E199L136-M195 HydrophobicContact CD1-CG 4.02Å; L136-M195 HydrophobicContact CD1-SD 3.8Å; L136-M195 HydrophobicContact CD2-CG 4.43Å; L136-M195 HydrophobicContact CD2-SD 3.45Å; L136-M195 WeakPolarHBondContact CD2-SD 3.49Å; L136-M195 HydrophobicContact CG-SD 4.29Å; T191-M195 VanDerWaalsContact O-CG 3.3Å; T191-M195 WeakPolarHBondContact O-CG 3.49Å; T191-M195 PolarHBondContact O-N 3.26Å; T191-M195 VanDerWaalsContact O-N 3.17Å; T193-M195 PolarHBondContact O-N 3.02Å; M195-I197 PolarHBondContact O-N 2.68Å; M195-L198 PolarHBondContact O-N 2.87Å; M195-E199 WeakPolarHBondContact O-CB 3.31Å; M195-E199 PolarHBondContact O-N 3.22Å
196K90.3Very high89.8Confident114 Ų11465.7 Ų65.750%0.49632%0.318SS..Hα-helixtrans-62.2-38.8177.7-76.7-178.1172-168.60113.1P178 K192 T193 L194 E199 H200P178-K196 HydrophobicContact CB-CB 4.39Å; P178-K196 HydrophobicContact CG-CB 4.04Å; K192-K196 WeakPolarHBondContact O-CG 3.5Å; K192-K196 PolarHBondContact O-N 3.03Å; K192-K196 VanDerWaalsContact O-N 3.08Å; T193-K196 PolarHBondContact O-N 3.36Å; L194-K196 PolarHBondContact O-N 3.45Å; K196-E199 PolarHBondContact O-N 2.98Å; K196-H200 WeakPolarHBondContact O-CB 3.49Å; K196-H200 PolarHBondContact O-N 3.32Å; K196-H200 PolarHBondContact O-ND1 3.04Å
197I92.5Very high89.6Confident0 Ų068.8 Ų68.80%034%0.337CS..Hα-helixtrans-63.3-43.6176.4-70164.6000110.4V140 F144 L177 P178 V181 Y189 T193 L194 M195 H200 S201 I204V140-I197 HydrophobicContact CG1-CD1 4.46Å; V140-I197 HydrophobicContact CG1-CG2 3.86Å; V140-I197 HydrophobicContact CG2-CB 4.27Å; V140-I197 HydrophobicContact CG2-CG2 3.98Å; F144-I197 HydrophobicContact CE1-CG2 3.63Å; F144-I197 HydrophobicContact CZ-CD1 4.26Å; F144-I197 HydrophobicContact CZ-CG2 3.8Å; L177-I197 HydrophobicContact CD2-CG1 4.44Å; P178-I197 HydrophobicContact CG-CG1 4.29Å; V181-I197 HydrophobicContact CG1-CD1 4.12Å; V181-I197 HydrophobicContact CG1-CG1 4.4Å; Y189-I197 HydrophobicContact CD1-CD1 4.3Å; Y189-I197 HydrophobicContact CD2-CD1 3.72Å; Y189-I197 HydrophobicContact CE1-CD1 4.17Å; Y189-I197 HydrophobicContact CE2-CD1 3.58Å; Y189-I197 HydrophobicContact CG-CD1 4.1Å; T193-I197 HydrophobicContact CG2-CD1 3.81Å; T193-I197 HydrophobicContact CG2-CG1 4.33Å; T193-I197 VanDerWaalsContact O-CG1 3.29Å; T193-I197 WeakPolarHBondContact O-CG1 3.48Å; T193-I197 PolarHBondContact O-N 3.32Å; L194-I197 PolarHBondContact O-N 2.91Å; M195-I197 PolarHBondContact O-N 2.68Å; I197-H200 PolarHBondContact O-N 3.1Å; I197-S201 WeakPolarHBondContact O-CA 3.3Å; I197-S201 PolarHBondContact O-N 3.04Å; I197-I204 HydrophobicContact CG2-CD1 3.84Å
198L89.8Confident89.5Confident31 Ų3166.6 Ų66.616%0.16232%0.324CS..Hα-helixtrans-67.2-42.3177.7-66.5172.8000112.3L136 M139 V140 V143 L194 M195 H200 S201L136-L198 HydrophobicContact CD2-CD1 3.64Å; M139-L198 HydrophobicContact CB-CD1 3.92Å; M139-L198 HydrophobicContact CB-CD2 3.9Å; M139-L198 HydrophobicContact CE-CD1 4.22Å; M139-L198 HydrophobicContact SD-CD1 4.41Å; V140-L198 HydrophobicContact CG2-CD1 4.21Å; V140-L198 HydrophobicContact CG2-CD2 3.7Å; V140-L198 HydrophobicContact CG2-CG 3.66Å; V143-L198 HydrophobicContact CG2-CD2 4.24Å; L194-L198 WeakPolarHBondContact O-CG 3.46Å; L194-L198 PolarHBondContact O-N 3.22Å; L194-L198 VanDerWaalsContact O-N 3.11Å; M195-L198 PolarHBondContact O-N 2.87Å; L198-H200 VanDerWaalsContact C-N 3.34Å; L198-H200 PolarHBondContact O-N 2.98Å; L198-S201 VanDerWaalsContact O-CB 3.25Å; L198-S201 WeakPolarHBondContact O-CB 3.06Å; L198-S201 PolarHBondContact O-N 3.45Å; L198-S201 PolarHBondContact O-OG 3.31Å
199E91Very high88.9Confident127 Ų12770.4 Ų70.459%0.59334%0.339SS*.Hα-helixtrans-58-44174.4178.7-177.9-136.200112.2M195 K196 H202M195-E199 WeakPolarHBondContact O-CB 3.31Å; M195-E199 PolarHBondContact O-N 3.22Å; K196-E199 PolarHBondContact O-N 2.98Å; E199-H202 PolarHBondContact O-CE1 3.22Å; E199-H202 VanDerWaalsContact O-CE1 3.28Å; E199-H202 PolarHBondContact O-ND1 3.13Å; E199-H202 VanDerWaalsContact O-ND1 3.1Å
200H85.9Confident87.3Confident54 Ų5480.7 Ų80.725%0.2538%0.378CS..Hα-helixtrans-89.60.5-178.1-67.371.5000113.9P178 K196 I197 L198 H202 R203P178-H200 HydrophobicContact CG-CB 4.26Å; K196-H200 WeakPolarHBondContact O-CB 3.49Å; K196-H200 PolarHBondContact O-N 3.32Å; K196-H200 PolarHBondContact O-ND1 3.04Å; I197-H200 PolarHBondContact O-N 3.1Å; L198-H200 VanDerWaalsContact C-N 3.34Å; L198-H200 PolarHBondContact O-N 2.98Å; H200-H202 PolarHBondContact O-N 3.33Å; H200-R203 WeakPolarHBondContact O-CB 3.44Å; H200-R203 PolarHBondContact O-N 2.73Å
201S89.8Confident84.8Confident41 Ų4186.2 Ų86.229%0.28740%0.401SS..G310 helixtrans-48.8-39.8-173.755.80000114.2I197 L198 R203 I204I197-S201 WeakPolarHBondContact O-CA 3.3Å; I197-S201 PolarHBondContact O-N 3.04Å; L198-S201 VanDerWaalsContact O-CB 3.25Å; L198-S201 WeakPolarHBondContact O-CB 3.06Å; L198-S201 PolarHBondContact O-N 3.45Å; L198-S201 PolarHBondContact O-OG 3.31Å; S201-R203 PolarHBondContact O-N 2.69Å; S201-I204 PolarHBondContact O-N 3.43Å
202H84Confident82.1Confident134 Ų13487.4 Ų87.462%0.6242%0.416SS*.G310 helixtrans-61.1-7.8176.167.6-84.8000115.6E199 H200E199-H202 PolarHBondContact O-CE1 3.22Å; E199-H202 VanDerWaalsContact O-CE1 3.28Å; E199-H202 PolarHBondContact O-ND1 3.13Å; E199-H202 VanDerWaalsContact O-ND1 3.1Å; H200-H202 PolarHBondContact O-N 3.33Å
203R86.1Confident79.2Confident152 Ų15287.6 Ų87.657%0.57442%0.42SS*.G310 helixtrans-110-18.2175.2-49.7-173.3-174.3-175.50.9112.4H200 S201 H205H200-R203 WeakPolarHBondContact O-CB 3.44Å; H200-R203 PolarHBondContact O-N 2.73Å; S201-R203 PolarHBondContact O-N 2.69Å; R203-H205 PolarHBondContact O-N 2.87Å; R203-H205 PolarHBondContact O-ND1 3.2Å; R203-H205 VanDerWaalsContact O-ND1 3.11Å
204I92.4Very high76Confident6 Ų694.4 Ų94.43%0.03146%0.455CS..  trans-75.7126.7-175.8-51.9176.7000108.5F144 L147 H175 L177 I197 S201 F206F144-I204 HydrophobicContact CE1-CD1 4.32Å; L147-I204 HydrophobicContact CD1-CB 3.89Å; L147-I204 HydrophobicContact CD1-CG2 3.75Å; L147-I204 WeakPolarHBondContact CD2-O 3.45Å; H175-I204 VanDerWaalsContact O-CA 3.29Å; H175-I204 WeakPolarHBondContact O-CA 3.44Å; L177-I204 HydrophobicContact CD2-CD1 3.92Å; L177-I204 HydrophobicContact CD2-CG1 4.5Å; L177-I204 HydrophobicContact CD2-CG2 4.39Å; L177-I204 HydrophobicContact CG-CG2 4.4Å; I197-I204 HydrophobicContact CG2-CD1 3.84Å; S201-I204 PolarHBondContact O-N 3.43Å; I204-F206 HydrophobicContact CG2-CD1 4.19Å; I204-F206 HydrophobicContact CG2-CE1 3.72Å
205H89.3Confident73.2Confident99 Ų99100.4 Ų100.446%0.45849%0.487SS..EExtended strand (participates in β ladder)trans-142.6143.1172.556.1-78.8000109.9H175 R203H175-H205 VanDerWaalsContact CB-CE1 3.41Å; H175-H205 WeakPolarHBondContact CB-CE1 3.25Å; H175-H205 WeakPolarHBondContact CB-NE2 3.42Å; H175-H205 AromaticContact CD2-CD2 3.8Å; H175-H205 AromaticContact CD2-NE2 3.83Å; H175-H205 AromaticContact CG-NE2 3.66Å; H175-H205 PolarHBondContact N-O 3.31Å; H175-H205 PolarHBondContact O-N 3.16Å; H175-H205 VanDerWaalsContact O-N 3.13Å; R203-H205 PolarHBondContact O-N 2.87Å; R203-H205 PolarHBondContact O-ND1 3.2Å; R203-H205 VanDerWaalsContact O-ND1 3.11Å
206F93.1Very high70.2Confident14 Ų14100 Ų1006%0.06149%0.494CS..EExtended strand (participates in β ladder)trans-104.6140.1-178.4-67.4-1.6000110F144 L147 Y148 A151 V172 V173 A174 L183 I204F144-F206 HydrophobicContact CB-CE2 4.19Å; F144-F206 HydrophobicContact CB-CZ 4.08Å; F144-F206 HydrophobicContact CD1-CE1 4.47Å; F144-F206 AromaticContact CD1-CZ 3.78Å; F144-F206 HydrophobicContact CD1-CZ 3.78Å; F144-F206 HydrophobicContact CD2-CZ 4.43Å; F144-F206 HydrophobicContact CE1-CZ 4.27Å; F144-F206 HydrophobicContact CG-CE2 4.46Å; F144-F206 AromaticContact CG-CZ 3.86Å; F144-F206 HydrophobicContact CG-CZ 3.86Å; L147-F206 HydrophobicContact CB-CD1 4.45Å; L147-F206 HydrophobicContact CB-CD2 4.08Å; L147-F206 HydrophobicContact CB-CE2 4.25Å; L147-F206 HydrophobicContact CB-CG 4.18Å; Y148-F206 HydrophobicContact CD2-CD2 4.47Å; A151-F206 HydrophobicContact CB-CB 3.78Å; A151-F206 WeakPolarHBondContact CB-O 3.42Å; V172-F206 HydrophobicContact CG1-CB 4.07Å; V172-F206 HydrophobicContact CG1-CD2 4.18Å; V172-F206 HydrophobicContact CG1-CG 4.21Å; V173-F206 CarbonylContact O-C 3.31Å; V173-F206 WeakPolarHBondContact O-CA 3.5Å; A174-F206 HydrophobicContact CB-CD1 3.65Å; A174-F206 HydrophobicContact CB-CE1 3.62Å; L183-F206 HydrophobicContact CD1-CE1 4.35Å; L183-F206 HydrophobicContact CD1-CE2 4.34Å; L183-F206 HydrophobicContact CD1-CZ 3.69Å; L183-F206 HydrophobicContact CD2-CE1 4.3Å; L183-F206 HydrophobicContact CD2-CE2 4.1Å; L183-F206 HydrophobicContact CD2-CZ 3.94Å; L183-F206 HydrophobicContact CG-CZ 4.49Å; I204-F206 HydrophobicContact CG2-CD1 4.19Å; I204-F206 HydrophobicContact CG2-CE1 3.72Å
207T87.8Confident67.1Low69 Ų69106.9 Ų106.942%0.42352%0.517SS..EExtended strand (participates in β ladder)trans-118.2104.3176.1-55.50000108.3V173 H175V173-T207 PolarHBondContact N-O 3.22Å; V173-T207 PolarHBondContact O-N 3.07Å; H175-T207 PolarHBondContact CD2-OG1 2.92Å; H175-T207 PolarHBondContact NE2-OG1 3.33Å
208A86.1Confident64.1Low24 Ų24115.7 Ų115.720%0.19856%0.558CS.*EExtended strand (participates in β ladder)trans-86.8125.1179.700000111.1A151 L152 C171 R210A151-A208 HydrophobicContact CB-CB 4.16Å; L152-A208 HydrophobicContact CD2-CB 3.95Å; C171-A208 WeakPolarHBondContact O-CA 3.4Å; A208-R210 PolarHBondContact O-N 2.94Å
209K74.6Confident61.1Low159 Ų159118.9 Ų118.969%0.69159%0.59SS**  trans-79.1108.2178-173.1-179.3178.5-174.20109.7G170 C171 Q211G170-K209 WeakPolarHBondContact O-CB 3.22Å; C171-K209 PolarHBondContact O-N 3.4Å; K209-Q211 PolarHBondContact O-N 3.03Å
210R57.4Low57.9Low232 Ų232122 Ų12288%0.87560%0.601SS**  trans-62.4132.3170.5-59.6-178.1-164.5146.65.7109.5A208A208-R210 PolarHBondContact O-N 2.94Å
211Q38.3Very low54.9Low194 Ų194127.2 Ų127.291%0.90763%0.63SS**  trans-72.1142.7155.6-70.3-179.2-16.400108.3K209K209-Q211 PolarHBondContact O-N 3.03Å
212A33.5Very low51.6Low84 Ų84131 Ų13169%0.69466%0.656SS**  trans-145160.9177.900000107.7
213E28.9Very low48.8Very low169 Ų169130.3 Ų130.379%0.7966%0.662SS**  trans83.5132.9-154.2-55.3175149.600111.3L215E213-L215 HydrophobicContact CG-CD1 3.98Å; E213-L215 HydrophobicContact CG-CG 4.22Å
214D24.4Very low45.9Very low173 Ų173129.9 Ų129.993%0.92567%0.666SS**SBendcis-62.9158.29.2-81.5-59000117.6
215L32.2Very low42.9Very low126 Ų126136.3 Ų136.366%0.6671%0.705SS**  trans-124130.8-173.3-95168.4000113.3E213E213-L215 HydrophobicContact CG-CD1 3.98Å; E213-L215 HydrophobicContact CG-CG 4.22Å
216S26.7Very low39.9Very low98 Ų98135.7 Ų135.769%0.68571%0.705SS**  trans56.7126146.268.20000121.2
217R26Very low36.6Very low258 Ų258142.1 Ų142.197%0.97474%0.741SS**  -133.187.3129.6-85.5-163.3175.3-173.2-0.1109.7
218E28.3Very low33.7Very low185 Ų185145.7 Ų145.786%0.86476%0.757SS**  trans-91.7130.4172.5-174.7171.1-152.400110.1
219A26.8Very low32.2Very low99 Ų99149.9 Ų149.982%0.81878%0.783SS**  trans-121.276.2-178.300000110.8
220K24.8Very low29.8Very low192 Ų192148.3 Ų148.384%0.83579%0.792SS**  trans16.2124.9157-58.2179.2179.2-176.20118
221L21.6Very low28.4Very low163 Ų163142.1 Ų142.185%0.85379%0.79SS**  -165.6102.5127.1-113.7170.9000114.1
222S22.1Very low27.9Very low121 Ų121137.4 Ų137.485%0.84678%0.784SS**  trans-168.2125.6145.152.40000109.2
223T25.4Very low27.7Very low120 Ų120140 Ų14074%0.73679%0.791SS**  trans-115.5115.5-168.2-61.90000111.3
224E24.6Very low27.6Very low142 Ų142138.4 Ų138.466%0.66479%0.793SS**  trans35.9119.4135.9-171.3-174.2-167.700121N226E224-N226 HydrophobicContact CG-CB 3.9Å; E224-N226 PolarHBondContact OE1-ND2 2.9Å; E224-N226 VanDerWaalsContact OE1-ND2 3.16Å
225V28.2Very low27.8Very low141 Ų141135.5 Ų135.586%0.85578%0.781SS**  -152.1112.4129.8176.40000105
226N27Very low27.8Very low86 Ų86135.4 Ų135.446%0.4679%0.785SS.*  cis76.9106.837.7-164.42.7000114.5E224E224-N226 HydrophobicContact CG-CB 3.9Å; E224-N226 PolarHBondContact OE1-ND2 2.9Å; E224-N226 VanDerWaalsContact OE1-ND2 3.16Å
227N24.9Very low28.5Very low149 Ų149136.4 Ų136.480%0.79779%0.789SS**  -177142.5120.8-97.2-67.4000114
228N26.1Very low28.4Very low144 Ų144129.8 Ų129.877%0.7778%0.783SS**  trans-93-161-173.5-72-35.7000111.9
229P54.4Low28.3Very low113 Ų113124.8 Ų124.873%0.73477%0.768SS**  -133.2-165.6-69.440.8-25.5000112.3
230S23.5Very low28.4Very low126 Ų126128.8 Ų128.888%0.88177%0.77SS**  trans-157.7156.4143.1-85.80000111.9
231A29.2Very low28.4Very low102 Ų102123 Ų12384%0.84377%0.765SS**  trans-151.5151.3-167.500000115
232A27.4Very low28.6Very low94 Ų94121.8 Ų121.878%0.77776%0.764SS**  trans-164.4122.3154.200000107
233V28.4Very low28.8Very low138 Ų138120 Ų12084%0.83676%0.757SS**  cis104.4139.944.6161.70000111.1
234V27.1Very low28.8Very low137 Ų137124 Ų12483%0.8376%0.764SS**  trans110.5135.8-179.6170.20000114.7
235V28.8Very low28.7Very low112 Ų112121 Ų12168%0.67976%0.763SS**  cis-157.6115.6-41.496.30000111.6
236T32Very low28.5Very low123 Ų123120.4 Ų120.476%0.75576%0.759SS**  trans49.7-174.1140.9640000121.6
237P42.3Very low28.3Very low119 Ų119122.5 Ų122.577%0.77378%0.776SS**  -131169.8-61.834.9-20000115.2
238S24.3Very low28.3Very low120 Ų120120.3 Ų120.384%0.83977%0.772SS**  -174.2172125.8-159.40000111.3
239S25.6Very low28.3Very low79 Ų79119.5 Ų119.555%0.55277%0.774SS**  trans-149169.5-159.252.90000116.8
240H29.3Very low26.9Very low183 Ų183119.1 Ų119.185%0.84777%0.774SS**  trans71.7154176.4-40.6-73.4000114.9
241G25.2Very low27.3Very low71 Ų71118.8 Ų118.873%0.73277%0.769SS**  cis158.1167.70.200000108.9
242V25.7Very low26.9Very low137 Ų137118.1 Ų118.183%0.8376%0.764SS**  cis-169.4149-5.8112.30000109.1
243A25.3Very low26.8Very low85 Ų85120 Ų12070%0.70277%0.765SS**  trans64166.7163.200000117.5
244K25.4Very low26.6Very low204 Ų204117.7 Ų117.789%0.88776%0.761SS**  cis-167.5170.6-12.4-113.4176.5-177.3177.80107.5
245A23.3Very low26.4Very low77 Ų77117.6 Ų117.664%0.63676%0.756SS**  cis-161.2172.2-6.800000111.1
246V23.1Very low26.2Very low129 Ų129118.6 Ų118.678%0.78276%0.758SS**  trans13.4128.3131.7-173.40000116.3
247T23.5Very low26.1Very low131 Ų131117.9 Ų117.980%0.80476%0.758SS**  -162.2156.463.6-30.50000112.6
248S23.9Very low25.4Very low102 Ų102118.7 Ų118.771%0.71376%0.76SS**  trans-83.9166.6159.3600000111.2
249P26.5Very low26.1Very low127 Ų127120.5 Ų120.583%0.82576%0.759SS**  -143.6161.58838-22.5000115.5
250S24.7Very low26Very low105 Ų105122.8 Ų122.873%0.73478%0.775SS**  trans-92.5167.3161.9-170.30000109.4
251P32.1Very low26Very low119 Ų119120.8 Ų120.877%0.77377%0.771SS**  -154.5165.59639.6-21.7000117.8
252A21.3Very low26Very low88 Ų88126.2 Ų126.273%0.72778%0.775SS**  trans62.7130.6154.400000119.7
253T24.3Very low26.1Very low133 Ų133125.8 Ų125.882%0.81677%0.767SS**  cis100.699.411.3-51.40000117.2
254A24.6Very low26.1Very low90 Ų90132.4 Ų132.474%0.74478%0.776SS**  trans-175.5136.3143.300000108.3
255N23.7Very low26Very low136 Ų136126 Ų12673%0.72777%0.767SS**  cis74.1127.345-65.15.2000112.2
256N25Very low26.5Very low133 Ų133131.5 Ų131.571%0.71178%0.782SS**  cis-145.4161.812.5-81.2-40.2000110.7
257S28.3Very low26.8Very low108 Ų108131 Ų13176%0.75578%0.782SS**  49.5146.691.5-136.60000115.8
258V28.2Very low26.8Very low135 Ų135133.7 Ų133.782%0.81879%0.787SS**  cis-149.9168.833.9-168.90000112.6
259L38.9Very low26.8Very low158 Ų158134.9 Ų134.983%0.82780%0.795SS**  trans-78.7160.1175.4-60.9162000115.5
260S24.4Very low26.9Very low127 Ų127134.1 Ų134.189%0.88879%0.793SS**  trans-173.4162.6137.1-86.30000114.9
261N28.4Very low26.8Very low142 Ų142138.9 Ų138.976%0.75980%0.801SS**  trans-89.8160.9-174.5-64.7-26.7000114.2
262F24.8Very low27Very low184 Ų184138.5 Ų138.581%0.80780%0.798SS**  176.3128.5102.6-102.4-75000116.3
263L27.8Very low27Very low129 Ų129143.2 Ų143.268%0.67581%0.805SS**  trans40145.1146.2-79.7175.1000127.1
264Y27Very low28.1Very low224 Ų224141.1 Ų141.188%0.87879%0.794SS**  trans77.2140.3145.8-85.4-58.9000123.2
265G23.2Very low28.1Very low69 Ų69143.8 Ų143.871%0.71180%0.795SS**  trans127.6120.2148.500000116.9
266M32.5Very low28.1Very low192 Ų192142.3 Ų142.395%0.94680%0.796SS**  trans-99.7148.9154.9-68.5-164.678.500109.6
267P29.1Very low28.2Very low120 Ų120144.1 Ų144.178%0.77980%0.797SS**  trans-123.6143.5156.635.7-24.8000113.4
268M24.4Very low28.1Very low187 Ų187145.5 Ų145.592%0.92180%0.796SS**  trans-79.3160.5161.1-73-99.7-75.700110.1
269S24.4Very low27.9Very low126 Ų126144.9 Ų144.988%0.88179%0.787SS**  trans-101.2127.1169.1-175.80000111
270S28.2Very low27.2Very low111 Ų111146 Ų14678%0.77679%0.786SS**  trans-136.2161.1171.458.60000110.3
271K23.3Very low26.9Very low205 Ų205148.5 Ų148.589%0.89178%0.781SS**  trans-79.2164.7-176.2-90-176.1174.5179.30112.7
272P35.3Very low27.6Very low112 Ų112147.4 Ų147.473%0.72778%0.782SS**  trans-112.8168-139.441.8-38000116.6
273H22.2Very low27.6Very low187 Ų187142.7 Ų142.787%0.86678%0.776SS**  -170177.9128.4-120.8-4000110.7
274P45.9Very low27.4Very low89 Ų89142.5 Ų142.558%0.57878%0.781SS**  trans-126.7176.2-149.535.6-13.3000116
275D24.6Very low27.4Very low146 Ų146138.9 Ų138.978%0.78178%0.776SS**  154.9142.1110.3-97.4-41.4000115.5
276S24.4Very low27.5Very low105 Ų105141.7 Ų141.773%0.73478%0.779SS**  trans62146.5160-78.40000121.3
277K26.3Very low27.1Very low170 Ų170139.4 Ų139.474%0.73977%0.77SS**  cis-175.2142.4-21.4-126.1-170.5167.7-176.20110.8
278L27Very low27.1Very low138 Ų138142.1 Ų142.172%0.72378%0.778SS**  trans60.6162.4154.6-56.4171.3000118.1
279D23.6Very low27Very low121 Ų121136.6 Ų136.665%0.64777%0.769SS**  cis-162.9-173.2-46.9-119.3-77.5000106.2
280F23.5Very low27Very low181 Ų181139.7 Ų139.779%0.79477%0.766SS**  cis-149.4-122.511.9-141.9-45.3000112.4
281K18.4Very low26.9Very low181 Ų181139.4 Ų139.479%0.78776%0.756SS**  trans-158-172.4-165.5-71.2-172.9-177.6175.60111.4
282P44.6Very low27.3Very low119 Ų119140.1 Ų140.177%0.77375%0.753SS**  -139.4-153.8-59.642.9-24.8000114
283A23.8Very low26.7Very low84 Ų84142.7 Ų142.769%0.69476%0.76SS**  trans96.2151.115500000118
284T24.5Very low26.7Very low125 Ų125138 Ų13877%0.76775%0.753SS**  cis-165.1169.90.4-3.90000115
285L25.5Very low25.6Very low149 Ų149139.4 Ų139.478%0.7876%0.756SS**  trans85.6110145.7-103.2106.6000126
286V26.5Very low25.5Very low128 Ų128142.8 Ų142.878%0.77676%0.758SS**  75.6166.7125.1178.10000122.7
287N24.5Very low25.4Very low143 Ų143143.7 Ų143.777%0.76576%0.759SS**  trans-122.9167-153.4-70.6-82.5000117.2
288L29.1Very low25.2Very low178 Ų178142.6 Ų142.693%0.93276%0.757SS**  trans108.1134.9136.4-154.170.4000120.7
289G22.2Very low25Very low71 Ų71144.2 Ų144.273%0.73276%0.758SS**  trans-168159.5173.200000113.1
290K24.6Very low24.9Very low191 Ų191142.3 Ų142.383%0.8377%0.767SS**  trans-162.3145.4-155.7-180179.5171.4-174.60118.6
291D26.3Very low24.9Very low105 Ų105138.8 Ų138.856%0.56177%0.765SS**  trans54.7128.6156-78.7-59.6000126.7
292R31.5Very low25.1Very low219 Ų219137.2 Ų137.283%0.82677%0.771SS**  62.3136.5125.4-66.6168.6-174.1-120-4.5128.4
293L21Very low24.1Very low167 Ų167135.3 Ų135.387%0.87477%0.773SS**  -171.3151.8126.1-130.256.1000109.5
294A24.1Very low24.1Very low88 Ų88140.8 Ų140.873%0.72778%0.78SS**  cis100.4134.2400000117.2
295N21.7Very low24Very low119 Ų119141.9 Ų141.964%0.63678%0.782SS**  cis-169.4179.1-9.1-17130.5000113.1
296W22.4Very low23.9Very low217 Ų217138.7 Ų138.782%0.82279%0.785SS**  trans83.2164.6164.6-39108.1000118.8
297T22.3Very low23.7Very low123 Ų123136.1 Ų136.176%0.75578%0.784SS**  cis-163165.81.3-10.20000115
298E21.6Very low23.6Very low147 Ų147136.9 Ų136.969%0.68779%0.788SS**  trans81168.5148.6-84.7-66.8112.100125.5
299K24.1Very low23.3Very low173 Ų173134.8 Ų134.875%0.75278%0.783SS**  trans-96.6168-147.7-61.1174.5-165.168.50119
300G21.7Very low23.3Very low81 Ų81138.3 Ų138.384%0.83579%0.785SS**  trans-165.4165.6158.300000113.2
301S22.4Very low23.4Very low107 Ų107137.5 Ų137.575%0.74878%0.784SS**  trans-149.5166-175.868.50000115.8
302T23.3Very low24Very low148 Ų148137 Ų13791%0.90879%0.787SS**  trans64.8157170.155.70000118
303G23.5Very low23.6Very low79 Ų79132.6 Ų132.681%0.81478%0.784SS**  trans-162.5175.2-178.800000113.5
304K23.7Very low23.8Very low198 Ų198136 Ų13686%0.86179%0.786SS**  trans-160.1170.1172-160.1165.1-179.4-179.50110.8
305D23.1Very low23.7Very low148 Ų148139.6 Ų139.679%0.79179%0.792SS**  trans-68.1152.9-169.9-42-94.2000116.6
306G22.1Very low24.1Very low83 Ų83139.8 Ų139.886%0.85680%0.799SS**  trans125.8102.4134.100000120.6
307G22.8Very low24.3Very low73 Ų73133.4 Ų133.475%0.75379%0.793SS**  trans101123.1137.500000120.8
308N22Very low24.5Very low159 Ų159137.3 Ų137.385%0.8580%0.803SS**  trans54.5139.5158.9-60.31.7000118.9
309T22.8Very low24.9Very low135 Ų135139 Ų13983%0.82881%0.811SS**  -163.9163.257.9-55.60000111.2
310D23.2Very low25.1Very low144 Ų144134.6 Ų134.677%0.7781%0.814SS**  trans-77.6154.7-173.3-58.1-87000117.9
311E25.5Very low25.3Very low174 Ų174139.9 Ų139.981%0.81382%0.817SS**  trans60.3169.4153.2-87.4-96.896.400118.8
312P39.3Very low25.5Very low96 Ų96140.1 Ų140.162%0.62382%0.819SS**  cis-126.1-175.5-11.531.3-11.5000115.3
313T23.1Very low25.8Very low125 Ų125137.8 Ų137.877%0.76781%0.806SS**  trans105.3113.2152.8-41.80000116.9
314R24.2Very low26.2Very low238 Ų238139.7 Ų139.790%0.89881%0.805SS**  trans-131.4143.6166.2-84.4-179.6167.6172.7-2.8110.2
315L23.6Very low26.9Very low165 Ų165134.3 Ų134.386%0.86481%0.805SS**  trans162.7159.9132.3-88.8179.7000109.2
316P28.8Very low27.9Very low122 Ų122133 Ų13379%0.79280%0.797SS**  cis-110.1163.7-1338.2-27.7000112.5
317A27.4Very low29.3Very low84 Ų84137.8 Ų137.869%0.69480%0.796SS**  trans-116.6136.516500000108.8Q319A317-Q319 PolarHBondContact O-N 3.48Å
318E26.5Very low31.6Very low205 Ų205135.9 Ų135.996%0.95877%0.769SS**PPolyproline II helixtrans-68.8120.1175.1-67.7-158.2107.800110.4
319Q29.8Very low34.4Very low182 Ų182131.1 Ų131.185%0.8575%0.748SS**PPolyproline II helixtrans-98.7128170.5-68.9-175-67.600109.4A317A317-Q319 PolarHBondContact O-N 3.48Å
320G27.4Very low37Very low80 Ų80131.5 Ų131.583%0.82574%0.738SS**PPolyproline II helixtrans-59.4137.8-177.100000112.7S322G320-S322 PolarHBondContact O-N 3.08Å
321Q26Very low39.8Very low192 Ų192135 Ų13590%0.89774%0.74SS**PPolyproline II helixtrans-71.4122179.3-62.7174.22.900110.3
322S26.5Very low42.8Very low113 Ų113129.7 Ų129.779%0.7972%0.717SS**PPolyproline II helixtrans-72.2131.5169.948.90000110.5G320G320-S322 PolarHBondContact O-N 3.08Å
323P30.5Very low45.3Very low98 Ų98125.3 Ų125.364%0.63669%0.689SS**PPolyproline II helixtrans-64.3147.1177.7-23.334.2000112.4
324P32.7Very low48.5Very low120 Ų120123.2 Ų123.278%0.77967%0.669SS**SBendtrans-63.6154172.128.7-35000111.3I326P324-I326 PolarHBondContact O-N 2.94Å
325G38Very low51.7Low84 Ų84114 Ų11487%0.86664%0.641SS**  trans-43.8105.9-165.600000115.7H327G325-H327 PolarHBondContact O-N 3.49Å
326I44.7Very low54.9Low122 Ų122106.2 Ų106.263%0.62660%0.6SS**  trans-68.3124.2174.9-61.8170.4000108.5P324 I328P324-I326 PolarHBondContact O-N 2.94Å; I326-I328 VanDerWaalsContact C-N 3.26Å; I326-I328 HydrophobicContact CB-CG1 4.47Å; I326-I328 HydrophobicContact CG2-CG1 4.1Å; I326-I328 PolarHBondContact O-N 3.32Å
327H50.4Low58Low182 Ų182100.4 Ų100.484%0.84356%0.562SS**  trans-76.178.7173.3-174-66000110.2G325 S329G325-H327 PolarHBondContact O-N 3.49Å; H327-S329 PolarHBondContact O-N 3.08Å; H327-S329 VanDerWaalsContact O-N 3.14Å
328I70.7Confident61Low34 Ų3499.3 Ų99.317%0.17454%0.543CS..  trans-57.6116.7-177.4-59.1171.7000109.6I326 L332 L333 I336 F347 T356I326-I328 VanDerWaalsContact C-N 3.26Å; I326-I328 HydrophobicContact CB-CG1 4.47Å; I326-I328 HydrophobicContact CG2-CG1 4.1Å; I326-I328 PolarHBondContact O-N 3.32Å; I328-L332 HydrophobicContact CG2-CB 3.99Å; I328-L332 HydrophobicContact CG2-CD2 4.04Å; I328-L332 HydrophobicContact CG2-CG 4.17Å; I328-L333 HydrophobicContact CB-CD2 4.44Å; I328-L333 HydrophobicContact CG2-CD2 3.53Å; I328-L333 HydrophobicContact CG2-CG 3.78Å; I328-I336 HydrophobicContact CG2-CD1 4.43Å; I328-F347 HydrophobicContact CD1-CZ 3.73Å; I328-T356 HydrophobicContact CD1-CG2 3.68Å
329S80.7Confident64.1Low58 Ų5893.5 Ų93.541%0.40652%0.516SS..  trans-72.7154-178.879.30000111.7H327 R331 L332 L333H327-S329 PolarHBondContact O-N 3.08Å; H327-S329 VanDerWaalsContact O-N 3.14Å; S329-R331 PolarHBondContact O-N 2.7Å; S329-L332 WeakPolarHBondContact O-CA 3.45Å; S329-L332 VanDerWaalsContact O-CB 3.31Å; S329-L332 WeakPolarHBondContact O-CB 3.43Å; S329-L332 PolarHBondContact O-N 3.39Å; S329-L332 PolarHBondContact OG-N 2.75Å; S329-L333 PolarHBondContact O-N 3.06Å
330K78.3Confident66.9Low144 Ų14493.2 Ų93.263%0.62651%0.511SS*.Hα-helixtrans-59.1-32.1177-69.1-171.5175-176.80113.5L332 L333 F334K330-L332 VanDerWaalsContact C-N 3.3Å; K330-L332 PolarHBondContact O-N 3.44Å; K330-L333 PolarHBondContact O-N 3.17Å; K330-F334 WeakPolarHBondContact O-CD2 3.18Å; K330-F334 PolarHBondContact O-N 3.37Å
331R81.7Confident69.8Low217 Ų21790.9 Ų90.982%0.81948%0.483SS*.Hα-helixtrans-60.9-39.9171.4-71.4-174.7-178.5168.10.1111.7S329 F334 S335S329-R331 PolarHBondContact O-N 2.7Å; R331-F334 VanDerWaalsContact O-CB 3.31Å; R331-F334 WeakPolarHBondContact O-CB 3.21Å; R331-F334 PolarHBondContact O-N 2.86Å; R331-S335 PolarHBondContact O-N 2.88Å; R331-S335 PolarHBondContact O-OG 3.13Å
332L89.1Confident72.7Confident63 Ų6388.9 Ų88.933%0.3347%0.474SS..Hα-helixtrans-70-40.3179.3-16258000111.7I328 S329 K330 F334 S335 I336 W344I328-L332 HydrophobicContact CG2-CB 3.99Å; I328-L332 HydrophobicContact CG2-CD2 4.04Å; I328-L332 HydrophobicContact CG2-CG 4.17Å; S329-L332 WeakPolarHBondContact O-CA 3.45Å; S329-L332 VanDerWaalsContact O-CB 3.31Å; S329-L332 WeakPolarHBondContact O-CB 3.43Å; S329-L332 PolarHBondContact O-N 3.39Å; S329-L332 PolarHBondContact OG-N 2.75Å; K330-L332 VanDerWaalsContact C-N 3.3Å; K330-L332 PolarHBondContact O-N 3.44Å; L332-F334 VanDerWaalsContact C-N 3.3Å; L332-F334 PolarHBondContact O-N 3.25Å; L332-S335 WeakPolarHBondContact O-CB 3.28Å; L332-S335 PolarHBondContact O-N 3.14Å; L332-I336 HydrophobicContact CG-CD1 4.48Å; L332-I336 WeakPolarHBondContact O-CD1 3.33Å; L332-I336 VanDerWaalsContact O-CG1 3.3Å; L332-I336 WeakPolarHBondContact O-CG1 3.35Å; L332-I336 PolarHBondContact O-N 3.26Å; L332-W344 HydrophobicContact CD1-CH2 3.55Å; L332-W344 HydrophobicContact CD1-CZ2 3.96Å; L332-W344 HydrophobicContact CD1-CZ3 4.47Å; L332-W344 HydrophobicContact CG-CH2 4.3Å
333L90.4Very high75.8Confident4 Ų488.9 Ų88.92%0.02146%0.459CS..Hα-helixtrans-61.2-38.6170.7-59.7170.6000111.7I328 S329 K330 I336 V337 T356 E359 C360 I363I328-L333 HydrophobicContact CB-CD2 4.44Å; I328-L333 HydrophobicContact CG2-CD2 3.53Å; I328-L333 HydrophobicContact CG2-CG 3.78Å; S329-L333 PolarHBondContact O-N 3.06Å; K330-L333 PolarHBondContact O-N 3.17Å; L333-I336 HydrophobicContact CD2-CD1 4.41Å; L333-I336 PolarHBondContact O-N 2.88Å; L333-V337 WeakPolarHBondContact O-CB 3.42Å; L333-V337 VanDerWaalsContact O-CG2 3.25Å; L333-V337 WeakPolarHBondContact O-CG2 3.19Å; L333-V337 PolarHBondContact O-N 2.88Å; L333-T356 HydrophobicContact CD2-CG2 4.03Å; L333-E359 HydrophobicContact CD1-CB 3.87Å; L333-E359 WeakPolarHBondContact CD1-OE2 2.96Å; L333-C360 VanDerWaalsContact CD2-SG 3.6Å; L333-I363 HydrophobicContact CB-CD1 3.48Å; L333-I363 VanDerWaalsContact CB-CD1 3.48Å; L333-I363 HydrophobicContact CD1-CD1 3.87Å; L333-I363 HydrophobicContact CG-CD1 4.31Å
334F90.9Very high78.7Confident81 Ų8185.5 Ų85.536%0.35543%0.434SS..Hα-helixtrans-60.7-46172.5-103.4-91.2000112.1K330 R331 L332 V337 H338 I363 M378K330-F334 WeakPolarHBondContact O-CD2 3.18Å; K330-F334 PolarHBondContact O-N 3.37Å; R331-F334 VanDerWaalsContact O-CB 3.31Å; R331-F334 WeakPolarHBondContact O-CB 3.21Å; R331-F334 PolarHBondContact O-N 2.86Å; L332-F334 VanDerWaalsContact C-N 3.3Å; L332-F334 PolarHBondContact O-N 3.25Å; F334-V337 PolarHBondContact O-N 2.83Å; F334-H338 AromaticContact CD1-CE1 3.47Å; F334-H338 VanDerWaalsContact CD1-CE1 3.47Å; F334-H338 WeakPolarHBondContact CD1-CE1 3.17Å; F334-H338 AromaticContact CD1-ND1 3.61Å; F334-H338 AromaticContact CE1-CE1 3.81Å; F334-H338 PolarHBondContact O-N 2.91Å; F334-H338 PolarHBondContact O-ND1 3.08Å; F334-I363 HydrophobicContact CD1-CG2 4.46Å; F334-I363 HydrophobicContact CD2-CG2 4.09Å; F334-I363 HydrophobicContact CE2-CG2 4.19Å; F334-I363 HydrophobicContact CG-CG2 4.26Å; F334-I363 HydrophobicContact CZ-CG2 4.44Å; F334-M378 HydrophobicContact CE1-SD 4.5Å; F334-M378 HydrophobicContact CE2-CG 4.45Å; F334-M378 HydrophobicContact CE2-SD 3.5Å; F334-M378 WeakPolarHBondContact CE2-SD 3.37Å; F334-M378 HydrophobicContact CZ-CG 3.69Å; F334-M378 HydrophobicContact CZ-SD 3.34Å; F334-M378 WeakPolarHBondContact CZ-SD 3.13Å
335S91.2Very high81.4Confident44 Ų4481.6 Ų81.631%0.30841%0.406SS..Hα-helixtrans-58.9-52.3173.5-65.60000111.5R331 L332 V337 H338 E339R331-S335 PolarHBondContact O-N 2.88Å; R331-S335 PolarHBondContact O-OG 3.13Å; L332-S335 WeakPolarHBondContact O-CB 3.28Å; L332-S335 PolarHBondContact O-N 3.14Å; S335-V337 PolarHBondContact O-N 2.83Å; S335-V337 VanDerWaalsContact O-N 3.1Å; S335-H338 PolarHBondContact O-N 3.49Å; S335-E339 WeakPolarHBondContact O-CA 3.33Å; S335-E339 WeakPolarHBondContact O-CB 3.2Å; S335-E339 PolarHBondContact O-N 2.82Å
336I92.3Very high84Confident1 Ų179.7 Ų79.71%0.00538%0.38CS..Hα-helixtrans-50.3-41177.2-69.5156.6000111.7I328 L332 L333 W344 F347 I348 R422I328-I336 HydrophobicContact CG2-CD1 4.43Å; L332-I336 HydrophobicContact CG-CD1 4.48Å; L332-I336 WeakPolarHBondContact O-CD1 3.33Å; L332-I336 VanDerWaalsContact O-CG1 3.3Å; L332-I336 WeakPolarHBondContact O-CG1 3.35Å; L332-I336 PolarHBondContact O-N 3.26Å; L333-I336 HydrophobicContact CD2-CD1 4.41Å; L333-I336 PolarHBondContact O-N 2.88Å; I336-W344 HydrophobicContact CB-CD2 4.46Å; I336-W344 HydrophobicContact CD1-CE3 4.31Å; I336-W344 HydrophobicContact CD1-CZ3 4.32Å; I336-W344 HydrophobicContact CG1-CD2 3.71Å; I336-W344 HydrophobicContact CG1-CE3 3.41Å; I336-W344 VanDerWaalsContact CG1-CE3 3.41Å; I336-W344 HydrophobicContact CG1-CG 4.27Å; I336-W344 HydrophobicContact CG1-CH2 4.42Å; I336-W344 HydrophobicContact CG1-CZ3 3.8Å; I336-F347 HydrophobicContact CD1-CD1 3.89Å; I336-F347 HydrophobicContact CD1-CE1 3.55Å; I336-F347 HydrophobicContact CD1-CZ 4.31Å; I336-F347 HydrophobicContact CG1-CD1 4.14Å; I336-F347 HydrophobicContact CG1-CE1 4.3Å; I336-F347 HydrophobicContact CG2-CD1 4.35Å; I336-I348 HydrophobicContact CG2-CD1 3.95Å; I336-I348 HydrophobicContact CG2-CG1 3.94Å; I336-R422 PolarHBondContact O-NE 3.37Å
337V93.1Very high86.2Confident0 Ų076.6 Ų76.60%036%0.362CS..Hα-helixtrans-78.2-41.6-177.2170.50000113.7L333 F334 S335 C360 I363 L364 R422 H423L333-V337 WeakPolarHBondContact O-CB 3.42Å; L333-V337 VanDerWaalsContact O-CG2 3.25Å; L333-V337 WeakPolarHBondContact O-CG2 3.19Å; L333-V337 PolarHBondContact O-N 2.88Å; F334-V337 PolarHBondContact O-N 2.83Å; S335-V337 PolarHBondContact O-N 2.83Å; S335-V337 VanDerWaalsContact O-N 3.1Å; V337-C360 HydrophobicContact CG2-CB 3.87Å; V337-C360 VanDerWaalsContact CG2-O 3.3Å; V337-C360 WeakPolarHBondContact CG2-O 3.44Å; V337-I363 HydrophobicContact CB-CG2 4.45Å; V337-I363 HydrophobicContact CG1-CG2 4.44Å; V337-I363 HydrophobicContact CG2-CB 4.49Å; V337-I363 HydrophobicContact CG2-CG2 4.32Å; V337-L364 HydrophobicContact CG1-CB 3.68Å; V337-L364 HydrophobicContact CG1-CD1 3.87Å; V337-L364 HydrophobicContact CG1-CG 4.33Å; V337-R422 VanDerWaalsContact O-CD 3.25Å; V337-R422 WeakPolarHBondContact O-CD 3.4Å; V337-R422 PolarHBondContact O-NE 3.38Å; V337-H423 PolarHBondContact O-CE1 3.1Å
338H89.4Confident88.2Confident61 Ų6168 Ų6828%0.28232%0.322SS..Hα-helixtrans-105-22.2-169.1-57.785.1000114.1F334 S335 S367 H423F334-H338 AromaticContact CD1-CE1 3.47Å; F334-H338 VanDerWaalsContact CD1-CE1 3.47Å; F334-H338 WeakPolarHBondContact CD1-CE1 3.17Å; F334-H338 AromaticContact CD1-ND1 3.61Å; F334-H338 AromaticContact CE1-CE1 3.81Å; F334-H338 PolarHBondContact O-N 2.91Å; F334-H338 PolarHBondContact O-ND1 3.08Å; S335-H338 PolarHBondContact O-N 3.49Å; H338-S367 WeakPolarHBondContact NE2-CB 3.49Å; H338-S367 PolarHBondContact NE2-OG 3.16Å; H338-H423 VanDerWaalsContact CA-CE1 3.45Å; H338-H423 WeakPolarHBondContact CA-CE1 3.41Å; H338-H423 PolarHBondContact O-CE1 3.07Å
339E92.3Very high89.2Confident83 Ų8372.8 Ų72.839%0.38834%0.338SS..  trans-83.9123.9178.4-167.3-167.4141.900109.8S335 S341 W344 R422 H423S335-E339 WeakPolarHBondContact O-CA 3.33Å; S335-E339 WeakPolarHBondContact O-CB 3.2Å; S335-E339 PolarHBondContact O-N 2.82Å; E339-S341 PolarHBondContact O-N 2.95Å; E339-S341 WeakPolarHBondContact OE1-CB 3.31Å; E339-W344 PolarHBondContact OE1-NE1 3.23Å; E339-W344 PolarHBondContact OE2-NE1 3.21Å; E339-R422 PolarHBondContact O-NH2 3.33Å; E339-H423 PolarHBondContact N-CE1 3.02Å; E339-H423 PolarHBondContact O-CE1 3.12Å; E339-H423 PolarHBondContact O-NE2 3.39Å; E339-H423 VanDerWaalsContact O-NE2 3.13Å
340K88.8Confident89.7Confident176 Ų17677.3 Ų77.377%0.76535%0.353SS*.  trans-87.881.1176.5-168.1177.3-179.7-177.70109.7H423K340-H423 VanDerWaalsContact CA-NE2 3.35Å; K340-H423 WeakPolarHBondContact CA-NE2 3.41Å; K340-H423 PolarHBondContact N-CE1 2.97Å; K340-H423 VanDerWaalsContact N-CE1 3.32Å
341S88.5Confident90.3Very high32 Ų3271.4 Ų71.422%0.22433%0.328CS..  trans-132.5131.4-176.1-179.30000110.7E339 K343 W344 D345E339-S341 PolarHBondContact O-N 2.95Å; E339-S341 WeakPolarHBondContact OE1-CB 3.31Å; S341-K343 PolarHBondContact O-N 2.87Å; S341-K343 VanDerWaalsContact O-N 3.12Å; S341-W344 WeakPolarHBondContact O-CA 3.38Å; S341-W344 PolarHBondContact O-N 2.7Å; S341-D345 PolarHBondContact O-N 2.77Å; S341-D345 VanDerWaalsContact O-N 3.09Å
342E87.1Confident90.7Very high150 Ų15069 Ų6970%0.70133%0.326SS*.Hα-helixtrans-58.9-25.7179.9-178.6171.7-150.800112.5D345 S346E342-D345 PolarHBondContact O-N 2.7Å; E342-S346 VanDerWaalsContact O-CB 3.29Å; E342-S346 WeakPolarHBondContact O-CB 3.31Å; E342-S346 PolarHBondContact O-N 3.26Å; E342-S346 PolarHBondContact O-OG 3.34Å
343K90.7Very high90.8Very high112 Ų11269.1 Ų69.149%0.48733%0.327SS..Hα-helixtrans-58.2-45.1169.5179.9-178.7178.4179.50111.7S155 S341 F347S155-K343 PolarHBondContact OG-NZ 2.97Å; S341-K343 PolarHBondContact O-N 2.87Å; S341-K343 VanDerWaalsContact O-N 3.12Å; K343-F347 WeakPolarHBondContact O-CB 3.41Å; K343-F347 PolarHBondContact O-N 3.15Å
344W91.4Very high90.8Very high27 Ų2771.1 Ų71.110%0.10234%0.338CS..Hα-helixtrans-77.4-34.6178.8-60.9135.3000112.4L332 I336 E339 S341 S346 F347 I348L332-W344 HydrophobicContact CD1-CH2 3.55Å; L332-W344 HydrophobicContact CD1-CZ2 3.96Å; L332-W344 HydrophobicContact CD1-CZ3 4.47Å; L332-W344 HydrophobicContact CG-CH2 4.3Å; I336-W344 HydrophobicContact CB-CD2 4.46Å; I336-W344 HydrophobicContact CD1-CE3 4.31Å; I336-W344 HydrophobicContact CD1-CZ3 4.32Å; I336-W344 HydrophobicContact CG1-CD2 3.71Å; I336-W344 HydrophobicContact CG1-CE3 3.41Å; I336-W344 VanDerWaalsContact CG1-CE3 3.41Å; I336-W344 HydrophobicContact CG1-CG 4.27Å; I336-W344 HydrophobicContact CG1-CH2 4.42Å; I336-W344 HydrophobicContact CG1-CZ3 3.8Å; E339-W344 PolarHBondContact OE1-NE1 3.23Å; E339-W344 PolarHBondContact OE2-NE1 3.21Å; S341-W344 WeakPolarHBondContact O-CA 3.38Å; S341-W344 PolarHBondContact O-N 2.7Å; W344-S346 VanDerWaalsContact C-N 3.3Å; W344-S346 PolarHBondContact O-N 3.13Å; W344-F347 HydrophobicContact CE3-CB 4.16Å; W344-F347 HydrophobicContact CE3-CD1 4.45Å; W344-F347 HydrophobicContact CE3-CG 4.33Å; W344-F347 PolarHBondContact O-N 2.93Å; W344-I348 WeakPolarHBondContact O-CB 3.48Å; W344-I348 WeakPolarHBondContact O-CD1 3.36Å; W344-I348 WeakPolarHBondContact O-CG1 3.22Å; W344-I348 PolarHBondContact O-N 3.06Å
345D90.6Very high90.9Very high39 Ų3971.8 Ų71.821%0.20935%0.345CS..Hα-helixtrans-62.9-40.3172.5-56.2-40.7000111S341 E342 I348 R349 R422S341-D345 PolarHBondContact O-N 2.77Å; S341-D345 VanDerWaalsContact O-N 3.09Å; E342-D345 PolarHBondContact O-N 2.7Å; D345-I348 PolarHBondContact O-N 3.19Å; D345-R349 WeakPolarHBondContact O-CG 3.36Å; D345-R349 PolarHBondContact O-N 3.49Å; D345-R349 PolarHBondContact O-NH1 2.76Å; D345-R422 IonicContact OD1-CZ 2.69Å; D345-R422 IonicContact OD1-NH1 3.69Å; D345-R422 PolarHBondContact OD1-NH1 3.49Å; D345-R422 IonicContact OD1-NH2 2.73Å; D345-R422 PolarHBondContact OD1-NH2 3.49Å
346S91.3Very high91Very high43 Ų4370.7 Ų70.730%0.30134%0.337SS..Hα-helixtrans-64.3-46.9173.2-56.90000111.7E342 W344 I348 R349 E350E342-S346 VanDerWaalsContact O-CB 3.29Å; E342-S346 WeakPolarHBondContact O-CB 3.31Å; E342-S346 PolarHBondContact O-N 3.26Å; E342-S346 PolarHBondContact O-OG 3.34Å; W344-S346 VanDerWaalsContact C-N 3.3Å; W344-S346 PolarHBondContact O-N 3.13Å; S346-I348 VanDerWaalsContact C-N 3.32Å; S346-I348 PolarHBondContact O-N 2.83Å; S346-R349 PolarHBondContact O-N 2.73Å; S346-R349 VanDerWaalsContact O-N 3.16Å; S346-R349 PolarHBondContact OG-NH2 3.05Å; S346-E350 WeakPolarHBondContact O-CB 3.47Å; S346-E350 PolarHBondContact O-N 2.94Å
347F91.7Very high91.1Very high58 Ų5870.8 Ų70.825%0.25434%0.337SS..Hα-helixtrans-58.7-39.7175.4176.5-95.9000112.9I328 I336 K343 W344 E350 T351 T356I328-F347 HydrophobicContact CD1-CZ 3.73Å; I336-F347 HydrophobicContact CD1-CD1 3.89Å; I336-F347 HydrophobicContact CD1-CE1 3.55Å; I336-F347 HydrophobicContact CD1-CZ 4.31Å; I336-F347 HydrophobicContact CG1-CD1 4.14Å; I336-F347 HydrophobicContact CG1-CE1 4.3Å; I336-F347 HydrophobicContact CG2-CD1 4.35Å; K343-F347 WeakPolarHBondContact O-CB 3.41Å; K343-F347 PolarHBondContact O-N 3.15Å; W344-F347 HydrophobicContact CE3-CB 4.16Å; W344-F347 HydrophobicContact CE3-CD1 4.45Å; W344-F347 HydrophobicContact CE3-CG 4.33Å; W344-F347 PolarHBondContact O-N 2.93Å; F347-E350 PolarHBondContact O-N 3.44Å; F347-T351 WeakPolarHBondContact CE1-OG1 3.27Å; F347-T351 WeakPolarHBondContact CE2-OG1 3.43Å; F347-T351 HydrophobicContact CZ-CG2 4.49Å; F347-T351 WeakPolarHBondContact CZ-OG1 3.45Å; F347-T351 WeakPolarHBondContact O-CB 3.44Å; F347-T351 PolarHBondContact O-N 3.29Å; F347-T351 PolarHBondContact O-OG1 2.75Å; F347-T356 HydrophobicContact CE1-CG2 4.29Å; F347-T356 HydrophobicContact CZ-CG2 4.32Å
348I93Very high91.2Very high1 Ų174.2 Ų74.21%0.00535%0.35CS..Hα-helixtrans-66.5-40.3176.4-71158.7000110.9I336 W344 D345 S346 K416 L419I336-I348 HydrophobicContact CG2-CD1 3.95Å; I336-I348 HydrophobicContact CG2-CG1 3.94Å; W344-I348 WeakPolarHBondContact O-CB 3.48Å; W344-I348 WeakPolarHBondContact O-CD1 3.36Å; W344-I348 WeakPolarHBondContact O-CG1 3.22Å; W344-I348 PolarHBondContact O-N 3.06Å; D345-I348 PolarHBondContact O-N 3.19Å; S346-I348 VanDerWaalsContact C-N 3.32Å; S346-I348 PolarHBondContact O-N 2.83Å; I348-K416 WeakPolarHBondContact O-CD 3.36Å; I348-K416 WeakPolarHBondContact O-CE 3.34Å; I348-L419 HydrophobicContact CD1-CB 4.14Å; I348-L419 HydrophobicContact CG1-CB 4.42Å; I348-L419 HydrophobicContact CG2-CB 3.7Å; I348-L419 HydrophobicContact CG2-CD1 4.32Å
349R91.7Very high91.5Very high135 Ų13575.5 Ų75.551%0.50936%0.356SS..Hα-helixtrans-66.8-40.2175.2-71.5-173.8-57.6-96.67.4112.6D345 S346 K416D345-R349 WeakPolarHBondContact O-CG 3.36Å; D345-R349 PolarHBondContact O-N 3.49Å; D345-R349 PolarHBondContact O-NH1 2.76Å; S346-R349 PolarHBondContact O-N 2.73Å; S346-R349 VanDerWaalsContact O-N 3.16Å; S346-R349 PolarHBondContact OG-NH2 3.05Å; R349-K416 PolarHBondContact O-NZ 3.4Å
350E90.3Very high91.6Very high153 Ų15371.6 Ų71.672%0.71534%0.338SS*.Hα-helixtrans-78.6-42.2-177.2-170.5175-16800113S346 F347 E352S346-E350 WeakPolarHBondContact O-CB 3.47Å; S346-E350 PolarHBondContact O-N 2.94Å; F347-E350 PolarHBondContact O-N 3.44Å; E350-E352 PolarHBondContact O-N 3.03Å
351T90.3Very high92Very high19 Ų1963.2 Ų63.212%0.11730%0.302CS..  trans-56.8122.2-174.3-66.70000112.9F347 D353 T356 L357 K416F347-T351 WeakPolarHBondContact CE1-OG1 3.27Å; F347-T351 WeakPolarHBondContact CE2-OG1 3.43Å; F347-T351 HydrophobicContact CZ-CG2 4.49Å; F347-T351 WeakPolarHBondContact CZ-OG1 3.45Å; F347-T351 WeakPolarHBondContact O-CB 3.44Å; F347-T351 PolarHBondContact O-N 3.29Å; F347-T351 PolarHBondContact O-OG1 2.75Å; T351-D353 HydrophobicContact CG2-CB 4.3Å; T351-T356 HydrophobicContact CG2-CG2 4.26Å; T351-L357 HydrophobicContact CG2-CD2 4.33Å; T351-L357 HydrophobicContact CG2-CG 4.11Å; T351-K416 WeakPolarHBondContact O-CE 3.34Å; T351-K416 PolarHBondContact O-NZ 3.24Å
352E90.9Very high92.3Very high166 Ų16664.4 Ų64.478%0.77630%0.304SS*.  trans-96.8-15.4174.1-58.3-159.3137.700113.7E350 I354E350-E352 PolarHBondContact O-N 3.03Å; E352-I354 PolarHBondContact O-N 3.05Å
353D90.8Very high92.7Very high66 Ų6657.9 Ų57.935%0.35327%0.274SS..  trans-65.4107.9178.7174.635.1000112T351 N355 T356 L357T351-D353 HydrophobicContact CG2-CB 4.3Å; D353-N355 PolarHBondContact O-N 3.12Å; D353-N355 WeakPolarHBondContact OD1-CB 3.4Å; D353-N355 PolarHBondContact OD1-N 3.11Å; D353-N355 PolarHBondContact OD1-ND2 3.22Å; D353-T356 PolarHBondContact O-N 3.02Å; D353-T356 WeakPolarHBondContact OD2-CB 3.4Å; D353-T356 PolarHBondContact OD2-N 3.05Å; D353-T356 PolarHBondContact OD2-OG1 2.97Å; D353-L357 WeakPolarHBondContact O-CG 3.32Å; D353-L357 PolarHBondContact O-N 3.11Å; D353-L357 VanDerWaalsContact O-N 3.14Å
354I91.7Very high92.9Very high46 Ų4652.6 Ų52.624%0.23625%0.25CS..Hα-helixtrans-59.5-25.7176.1-163.1171.7000112.8E352 R358 V412 L415E352-I354 PolarHBondContact O-N 3.05Å; I354-R358 HydrophobicContact CG1-CG 4.48Å; I354-R358 VanDerWaalsContact O-CB 3.26Å; I354-R358 WeakPolarHBondContact O-CB 3.49Å; I354-R358 WeakPolarHBondContact O-CD 3.42Å; I354-R358 WeakPolarHBondContact O-CG 3.17Å; I354-R358 PolarHBondContact O-N 3.45Å; I354-V412 HydrophobicContact CB-CG2 3.71Å; I354-V412 HydrophobicContact CD1-CG2 4.11Å; I354-V412 HydrophobicContact CG1-CG2 3.78Å; I354-L415 HydrophobicContact CG1-CD1 3.84Å
355N92.8Very high93.1Very high95 Ų9551.3 Ų51.351%0.50825%0.245SC..Hα-helixtrans-77.8-48.6-177.5-55-70.7000111.3D353 L357 R358 E359D353-N355 PolarHBondContact O-N 3.12Å; D353-N355 WeakPolarHBondContact OD1-CB 3.4Å; D353-N355 PolarHBondContact OD1-N 3.11Å; D353-N355 PolarHBondContact OD1-ND2 3.22Å; N355-L357 VanDerWaalsContact C-N 3.32Å; N355-L357 PolarHBondContact O-N 2.73Å; N355-R358 CarbonylContact O-C 3.44Å; N355-R358 WeakPolarHBondContact O-CB 3.46Å; N355-R358 PolarHBondContact O-N 3.33Å; N355-R358 VanDerWaalsContact O-N 3.12Å; N355-E359 PolarHBondContact O-N 2.89Å
356T92.3Very high93.4Very high22 Ų2250.3 Ų50.314%0.13524%0.24CC..Hα-helixtrans-52.9-49169.2-65.60000111I328 L333 F347 T351 D353 R358 E359 C360I328-T356 HydrophobicContact CD1-CG2 3.68Å; L333-T356 HydrophobicContact CD2-CG2 4.03Å; F347-T356 HydrophobicContact CE1-CG2 4.29Å; F347-T356 HydrophobicContact CZ-CG2 4.32Å; T351-T356 HydrophobicContact CG2-CG2 4.26Å; D353-T356 PolarHBondContact O-N 3.02Å; D353-T356 WeakPolarHBondContact OD2-CB 3.4Å; D353-T356 PolarHBondContact OD2-N 3.05Å; D353-T356 PolarHBondContact OD2-OG1 2.97Å; T356-R358 VanDerWaalsContact C-N 3.33Å; T356-R358 PolarHBondContact O-N 3.18Å; T356-E359 PolarHBondContact O-N 3.04Å; T356-C360 PolarHBondContact O-N 3.31Å; T356-C360 PolarHBondContact O-SG 3.03Å
357L94.6Very high93.5Very high2 Ų249.3 Ų49.31%0.0123%0.233CC..Hα-helixtrans-63.7-36.2177.8-66.3170.8000112.6T351 D353 N355 V361 V412 L415 K416 L419T351-L357 HydrophobicContact CG2-CD2 4.33Å; T351-L357 HydrophobicContact CG2-CG 4.11Å; D353-L357 WeakPolarHBondContact O-CG 3.32Å; D353-L357 PolarHBondContact O-N 3.11Å; D353-L357 VanDerWaalsContact O-N 3.14Å; N355-L357 VanDerWaalsContact C-N 3.32Å; N355-L357 PolarHBondContact O-N 2.73Å; L357-V361 WeakPolarHBondContact O-CG2 3.37Å; L357-V361 PolarHBondContact O-N 2.82Å; L357-V361 VanDerWaalsContact O-N 3.09Å; L357-V412 HydrophobicContact CD1-CB 4.46Å; L357-V412 HydrophobicContact CD1-CG1 3.8Å; L357-V412 HydrophobicContact CD1-CG2 4.31Å; L357-L415 HydrophobicContact CB-CB 4.04Å; L357-L415 HydrophobicContact CB-CD1 4.06Å; L357-K416 HydrophobicContact CD1-CG 4.16Å; L357-K416 HydrophobicContact CD2-CG 4.38Å; L357-L419 HydrophobicContact CD2-CD1 3.69Å
358R95.9Very high93.7Very high72 Ų7248.4 Ų48.427%0.27223%0.228SC..Hα-helixtrans-67.4-40.4173.5-80166.9174.4173.2-1.3112.4I354 N355 T356 Q362 C408 Y410 L415I354-R358 HydrophobicContact CG1-CG 4.48Å; I354-R358 VanDerWaalsContact O-CB 3.26Å; I354-R358 WeakPolarHBondContact O-CB 3.49Å; I354-R358 WeakPolarHBondContact O-CD 3.42Å; I354-R358 WeakPolarHBondContact O-CG 3.17Å; I354-R358 PolarHBondContact O-N 3.45Å; N355-R358 CarbonylContact O-C 3.44Å; N355-R358 WeakPolarHBondContact O-CB 3.46Å; N355-R358 PolarHBondContact O-N 3.33Å; N355-R358 VanDerWaalsContact O-N 3.12Å; T356-R358 VanDerWaalsContact C-N 3.33Å; T356-R358 PolarHBondContact O-N 3.18Å; R358-Q362 VanDerWaalsContact O-CB 3.26Å; R358-Q362 WeakPolarHBondContact O-CB 3.41Å; R358-Q362 PolarHBondContact O-N 3.38Å; R358-C408 PolarHBondContact NH2-O 3.14Å; R358-C408 VanDerWaalsContact NH2-O 3.14Å; R358-Y410 PolarHBondContact NH2-O 3.44Å; R358-L415 HydrophobicContact CG-CD1 3.74Å; R358-L415 HydrophobicContact CG-CD2 4.2Å
359E94.6Very high93.8Very high89 Ų8949.1 Ų49.142%0.41623%0.231SC..Hα-helixtrans-66.1-43.9174.7-69-131.6157.600111.1L333 N355 T356 V361 Q362 I363L333-E359 HydrophobicContact CD1-CB 3.87Å; L333-E359 WeakPolarHBondContact CD1-OE2 2.96Å; N355-E359 PolarHBondContact O-N 2.89Å; T356-E359 PolarHBondContact O-N 3.04Å; E359-V361 PolarHBondContact O-N 2.99Å; E359-Q362 PolarHBondContact O-N 3.41Å; E359-Q362 VanDerWaalsContact O-N 3.14Å; E359-I363 WeakPolarHBondContact O-CB 3.39Å; E359-I363 VanDerWaalsContact O-CG1 3.31Å; E359-I363 WeakPolarHBondContact O-CG1 3.24Å; E359-I363 PolarHBondContact O-N 2.9Å
360C95.2Very high93.9Very high1 Ų142.8 Ų42.81%0.00721%0.207CC..Hα-helixtrans-55.4-49.8174.3-73.40000112.2L333 V337 T356 Q362 I363 L364 L419L333-C360 VanDerWaalsContact CD2-SG 3.6Å; V337-C360 HydrophobicContact CG2-CB 3.87Å; V337-C360 VanDerWaalsContact CG2-O 3.3Å; V337-C360 WeakPolarHBondContact CG2-O 3.44Å; T356-C360 PolarHBondContact O-N 3.31Å; T356-C360 PolarHBondContact O-SG 3.03Å; C360-Q362 VanDerWaalsContact C-N 3.32Å; C360-Q362 PolarHBondContact O-N 3.29Å; C360-I363 PolarHBondContact O-N 3.13Å; C360-L364 WeakPolarHBondContact O-CB 3.14Å; C360-L364 PolarHBondContact O-N 2.89Å; C360-L419 HydrophobicContact CB-CD1 3.75Å; C360-L419 HydrophobicContact CB-CD2 3.75Å; C360-L419 HydrophobicContact CB-CG 4.42Å
361V96Very high94Very high0 Ų040.5 Ų40.50%020%0.197CC..Hα-helixtrans-67.3-33177.7177.60000111.9L357 E359 F365 P407 L415 I418 L419L357-V361 WeakPolarHBondContact O-CG2 3.37Å; L357-V361 PolarHBondContact O-N 2.82Å; L357-V361 VanDerWaalsContact O-N 3.09Å; E359-V361 PolarHBondContact O-N 2.99Å; V361-F365 HydrophobicContact CG1-CD2 3.77Å; V361-F365 HydrophobicContact CG1-CE1 4.36Å; V361-F365 HydrophobicContact CG1-CE2 3.44Å; V361-F365 VanDerWaalsContact CG1-CE2 3.44Å; V361-F365 HydrophobicContact CG1-CG 4.4Å; V361-F365 HydrophobicContact CG1-CZ 3.76Å; V361-F365 WeakPolarHBondContact O-CG 3.31Å; V361-F365 PolarHBondContact O-N 3.18Å; V361-P407 HydrophobicContact CB-CB 4.31Å; V361-P407 HydrophobicContact CB-CG 4.46Å; V361-P407 HydrophobicContact CG1-CB 4.2Å; V361-P407 HydrophobicContact CG1-CG 4.05Å; V361-L415 HydrophobicContact CB-CD2 4.08Å; V361-L415 HydrophobicContact CG1-CD2 4.48Å; V361-L415 HydrophobicContact CG2-CD2 3.77Å; V361-I418 HydrophobicContact CG1-CD1 4.49Å; V361-I418 HydrophobicContact CG1-CG2 3.84Å; V361-I418 HydrophobicContact CG2-CB 4.28Å; V361-I418 HydrophobicContact CG2-CG2 3.97Å; V361-L419 HydrophobicContact CG2-CD1 3.98Å; V361-L419 HydrophobicContact CG2-CD2 3.68Å; V361-L419 HydrophobicContact CG2-CG 3.57Å
362Q95.4Very high94.1Very high57 Ų5741.1 Ų41.127%0.26620%0.204SC..Hα-helixtrans-69.1-36.8175.6-170.459.790.800112.5R358 E359 C360 N366 Y383 P407R358-Q362 VanDerWaalsContact O-CB 3.26Å; R358-Q362 WeakPolarHBondContact O-CB 3.41Å; R358-Q362 PolarHBondContact O-N 3.38Å; E359-Q362 PolarHBondContact O-N 3.41Å; E359-Q362 VanDerWaalsContact O-N 3.14Å; C360-Q362 VanDerWaalsContact C-N 3.32Å; C360-Q362 PolarHBondContact O-N 3.29Å; Q362-N366 PolarHBondContact NE2-ND2 3.12Å; Q362-N366 PolarHBondContact NE2-OD1 3Å; Q362-N366 WeakPolarHBondContact O-CB 3.41Å; Q362-N366 PolarHBondContact O-N 2.88Å; Q362-N366 VanDerWaalsContact O-N 3.16Å; Q362-N366 PolarHBondContact O-ND2 2.9Å; Q362-Y383 PolarHBondContact NE2-OH 3.1Å; Q362-P407 HydrophobicContact CB-CB 4.44Å; Q362-P407 HydrophobicContact CB-CG 3.92Å; Q362-P407 HydrophobicContact CG-CG 4.48Å
363I95Very high94.1Very high13 Ų1336 Ų367%0.06718%0.181CC..Hα-helixtrans-67.6-48.8174.7-72.2162.6000109.9L333 F334 V337 E359 C360 F365 N366 S367 M378L333-I363 HydrophobicContact CB-CD1 3.48Å; L333-I363 VanDerWaalsContact CB-CD1 3.48Å; L333-I363 HydrophobicContact CD1-CD1 3.87Å; L333-I363 HydrophobicContact CG-CD1 4.31Å; F334-I363 HydrophobicContact CD1-CG2 4.46Å; F334-I363 HydrophobicContact CD2-CG2 4.09Å; F334-I363 HydrophobicContact CE2-CG2 4.19Å; F334-I363 HydrophobicContact CG-CG2 4.26Å; F334-I363 HydrophobicContact CZ-CG2 4.44Å; V337-I363 HydrophobicContact CB-CG2 4.45Å; V337-I363 HydrophobicContact CG1-CG2 4.44Å; V337-I363 HydrophobicContact CG2-CB 4.49Å; V337-I363 HydrophobicContact CG2-CG2 4.32Å; E359-I363 WeakPolarHBondContact O-CB 3.39Å; E359-I363 VanDerWaalsContact O-CG1 3.31Å; E359-I363 WeakPolarHBondContact O-CG1 3.24Å; E359-I363 PolarHBondContact O-N 2.9Å; C360-I363 PolarHBondContact O-N 3.13Å; I363-F365 PolarHBondContact O-N 3.13Å; I363-N366 PolarHBondContact O-N 3.13Å; I363-S367 VanDerWaalsContact O-CB 3.22Å; I363-S367 WeakPolarHBondContact O-CB 3.34Å; I363-S367 PolarHBondContact O-N 2.98Å; I363-M378 HydrophobicContact CB-CE 4.14Å; I363-M378 HydrophobicContact CG1-CE 3.96Å; I363-M378 HydrophobicContact CG2-CE 4.21Å
364L95.7Very high94Very high0 Ų035.9 Ų35.90%020%0.196CC..Hα-helixtrans-52.6-55.4175.9175.860.1000112.1V337 C360 N366 S367 R368 I418 L419 R422 I425V337-L364 HydrophobicContact CG1-CB 3.68Å; V337-L364 HydrophobicContact CG1-CD1 3.87Å; V337-L364 HydrophobicContact CG1-CG 4.33Å; C360-L364 WeakPolarHBondContact O-CB 3.14Å; C360-L364 PolarHBondContact O-N 2.89Å; L364-N366 PolarHBondContact O-N 3.28Å; L364-S367 PolarHBondContact O-N 3.15Å; L364-R368 HydrophobicContact CD1-CG 3.84Å; L364-R368 WeakPolarHBondContact O-CG 3.22Å; L364-R368 PolarHBondContact O-N 3.14Å; L364-I418 HydrophobicContact CD2-CG2 4.32Å; L364-L419 HydrophobicContact CD2-CD2 4.34Å; L364-R422 HydrophobicContact CD1-CB 4.07Å; L364-R422 WeakPolarHBondContact CD1-O 3.33Å; L364-R422 HydrophobicContact CD2-CB 3.65Å; L364-I425 HydrophobicContact CD2-CD1 3.79Å; L364-I425 HydrophobicContact CG-CG2 4.5Å
365F96.4Very high93.9Very high0 Ų037 Ų370%020%0.202CC..Hα-helixtrans-64.9-39.6-177.6-70-22.4000113V361 I363 S367 Y369 V381 Y383 I398 F404 P407 Y410 I418 I425 F427V361-F365 HydrophobicContact CG1-CD2 3.77Å; V361-F365 HydrophobicContact CG1-CE1 4.36Å; V361-F365 HydrophobicContact CG1-CE2 3.44Å; V361-F365 VanDerWaalsContact CG1-CE2 3.44Å; V361-F365 HydrophobicContact CG1-CG 4.4Å; V361-F365 HydrophobicContact CG1-CZ 3.76Å; V361-F365 WeakPolarHBondContact O-CG 3.31Å; V361-F365 PolarHBondContact O-N 3.18Å; I363-F365 PolarHBondContact O-N 3.13Å; F365-S367 VanDerWaalsContact C-N 3.34Å; F365-Y369 WeakPolarHBondContact O-CB 3.39Å; F365-Y369 PolarHBondContact O-N 3.22Å; F365-Y369 VanDerWaalsContact O-N 3.09Å; F365-V381 HydrophobicContact CB-CG2 4.02Å; F365-V381 VanDerWaalsContact O-CG2 3.25Å; F365-V381 WeakPolarHBondContact O-CG2 3.49Å; F365-Y383 HydrophobicContact CD2-CE1 4.38Å; F365-I398 HydrophobicContact CE1-CD1 4.19Å; F365-I398 HydrophobicContact CZ-CD1 4.29Å; F365-F404 HydrophobicContact CD1-CE2 4.19Å; F365-F404 AromaticContact CD2-CE2 3.87Å; F365-F404 HydrophobicContact CD2-CE2 3.87Å; F365-F404 HydrophobicContact CE1-CE2 4.06Å; F365-F404 HydrophobicContact CE2-CD2 4.22Å; F365-F404 AromaticContact CE2-CE2 3.71Å; F365-F404 HydrophobicContact CE2-CE2 3.71Å; F365-F404 HydrophobicContact CG-CE2 4.1Å; F365-F404 HydrophobicContact CZ-CD2 4.08Å; F365-F404 AromaticContact CZ-CE2 3.81Å; F365-F404 HydrophobicContact CZ-CE2 3.81Å; F365-P407 HydrophobicContact CD2-CG 4.16Å; F365-Y410 HydrophobicContact CE2-CE2 4.15Å; F365-I418 HydrophobicContact CE1-CG2 4.08Å; F365-I418 HydrophobicContact CZ-CG2 3.93Å; F365-I425 HydrophobicContact CD1-CG2 4.24Å; F365-I425 HydrophobicContact CE1-CD1 4.34Å; F365-I425 HydrophobicContact CE1-CG2 4.18Å; F365-F427 HydrophobicContact CB-CE2 4.47Å; F365-F427 HydrophobicContact CB-CZ 4.27Å; F365-F427 HydrophobicContact CD1-CE2 4.24Å; F365-F427 HydrophobicContact CD1-CZ 4.22Å; F365-F427 HydrophobicContact CG-CZ 4.42Å
366N95Very high93.3Very high19 Ų1940.9 Ų40.910%0.10222%0.223CC..Hα-helixtrans-72.3-28.1178.2-71.5-6.3000113Q362 I363 L364 A370 M378 V379 P380 V381Q362-N366 PolarHBondContact NE2-ND2 3.12Å; Q362-N366 PolarHBondContact NE2-OD1 3Å; Q362-N366 WeakPolarHBondContact O-CB 3.41Å; Q362-N366 PolarHBondContact O-N 2.88Å; Q362-N366 VanDerWaalsContact O-N 3.16Å; Q362-N366 PolarHBondContact O-ND2 2.9Å; I363-N366 PolarHBondContact O-N 3.13Å; L364-N366 PolarHBondContact O-N 3.28Å; N366-A370 WeakPolarHBondContact O-CB 3.42Å; N366-A370 PolarHBondContact O-N 3Å; N366-M378 HydrophobicContact CB-CB 4.34Å; N366-M378 HydrophobicContact CB-CE 3.57Å; N366-V379 WeakPolarHBondContact CA-O 3.37Å; N366-V379 WeakPolarHBondContact CB-O 3.41Å; N366-V379 PolarHBondContact O-N 2.84Å; N366-P380 WeakPolarHBondContact OD1-CA 3.49Å; N366-V381 PolarHBondContact OD1-N 3.41Å; N366-V381 VanDerWaalsContact OD1-N 3.1Å
367S94.8Very high92.9Very high22 Ų2244.7 Ų44.715%0.15424%0.239CC..Hα-helixtrans-72.9-54.8175-173.40000110.9H338 I363 L364 F365 Y369 A370 E371H338-S367 WeakPolarHBondContact NE2-CB 3.49Å; H338-S367 PolarHBondContact NE2-OG 3.16Å; I363-S367 VanDerWaalsContact O-CB 3.22Å; I363-S367 WeakPolarHBondContact O-CB 3.34Å; I363-S367 PolarHBondContact O-N 2.98Å; L364-S367 PolarHBondContact O-N 3.15Å; F365-S367 VanDerWaalsContact C-N 3.34Å; S367-Y369 PolarHBondContact O-N 3.38Å; S367-A370 WeakPolarHBondContact O-CB 3.07Å; S367-A370 PolarHBondContact O-N 3.38Å; S367-E371 PolarHBondContact O-N 2.85Å
368R95Very high92.6Very high38 Ų3847.8 Ų47.814%0.14325%0.254CS..Hα-helixtrans-63.6-25.1179.2-61.6-60-170.8-157.4-3.9113.8L364 E371 A372 I425 F427L364-R368 HydrophobicContact CD1-CG 3.84Å; L364-R368 WeakPolarHBondContact O-CG 3.22Å; L364-R368 PolarHBondContact O-N 3.14Å; R368-E371 WeakPolarHBondContact CD-OE2 3.44Å; R368-E371 IonicContact CZ-OE2 3.65Å; R368-E371 IonicContact NE-OE2 3.15Å; R368-E371 IonicContact NH1-OE1 3.04Å; R368-E371 PolarHBondContact NH1-OE1 2.95Å; R368-E371 IonicContact NH1-OE2 3.63Å; R368-E371 PolarHBondContact NH1-OE2 3.17Å; R368-A372 WeakPolarHBondContact O-CB 3.45Å; R368-A372 PolarHBondContact O-N 2.84Å; R368-I425 VanDerWaalsContact CD-O 3.3Å; R368-I425 WeakPolarHBondContact CD-O 3.44Å; R368-I425 HydrophobicContact CG-CG2 4.43Å; R368-I425 WeakPolarHBondContact CG-O 3.48Å; R368-I425 PolarHBondContact NE-O 3.23Å; R368-F427 HydrophobicContact CB-CD2 3.63Å; R368-F427 HydrophobicContact CB-CE2 3.91Å
369Y95.4Very high92.3Very high16 Ų1645.8 Ų45.86%0.06325%0.25CS..Hα-helixtrans-79.6-29.5172.8-177.6-103.2000113.1F365 S367 L373 V379 V381 P382 F427 I429F365-Y369 WeakPolarHBondContact O-CB 3.39Å; F365-Y369 PolarHBondContact O-N 3.22Å; F365-Y369 VanDerWaalsContact O-N 3.09Å; S367-Y369 PolarHBondContact O-N 3.38Å; Y369-L373 HydrophobicContact CD1-CD1 4.04Å; Y369-L373 HydrophobicContact CE1-CD1 3.59Å; Y369-L373 HydrophobicContact CE1-CG 4.47Å; Y369-L373 WeakPolarHBondContact O-CG 3.48Å; Y369-L373 PolarHBondContact O-N 3.14Å; Y369-V379 HydrophobicContact CD1-CB 4.04Å; Y369-V379 HydrophobicContact CD1-CG1 3.92Å; Y369-V379 HydrophobicContact CE1-CB 4.37Å; Y369-V379 HydrophobicContact CE1-CG1 3.77Å; Y369-V381 HydrophobicContact CD1-CG2 4.28Å; Y369-V381 HydrophobicContact CD2-CG1 4.41Å; Y369-V381 HydrophobicContact CG-CG1 4.44Å; Y369-V381 HydrophobicContact CG-CG2 3.96Å; Y369-P382 VanDerWaalsContact CE1-CD 3.5Å; Y369-P382 HydrophobicContact CE1-CG 4.31Å; Y369-P382 HydrophobicContact CE2-CG 4.43Å; Y369-P382 VanDerWaalsContact CZ-CD 3.4Å; Y369-P382 WeakPolarHBondContact OH-CG 3.45Å; Y369-F427 AromaticContact CD2-CD1 3.87Å; Y369-F427 HydrophobicContact CD2-CD1 3.87Å; Y369-F427 HydrophobicContact CD2-CE1 4.31Å; Y369-F427 HydrophobicContact CD2-CG 4.28Å; Y369-I429 HydrophobicContact CE2-CD1 4.23Å
370A93.6Very high92.3Very high2 Ų246.4 Ų46.42%0.01726%0.262CS..Hα-helixtrans-72.9-42.4171.500000112N366 S367 A372 L373 G374 L375 H377 V379N366-A370 WeakPolarHBondContact O-CB 3.42Å; N366-A370 PolarHBondContact O-N 3Å; S367-A370 WeakPolarHBondContact O-CB 3.07Å; S367-A370 PolarHBondContact O-N 3.38Å; A370-A372 VanDerWaalsContact C-N 3.28Å; A370-A372 PolarHBondContact O-N 3.19Å; A370-L373 CarbonylContact O-C 3.58Å; A370-L373 WeakPolarHBondContact O-CA 3.46Å; A370-L373 WeakPolarHBondContact O-CB 3.05Å; A370-L373 PolarHBondContact O-N 3.09Å; A370-G374 PolarHBondContact O-N 3Å; A370-G374 VanDerWaalsContact O-N 3.11Å; A370-L375 CarbonylContact C-O 3.6Å; A370-L375 HydrophobicContact CB-CB 4.42Å; A370-L375 PolarHBondContact O-N 3.26Å; A370-H377 WeakPolarHBondContact CB-O 3.36Å; A370-V379 HydrophobicContact CB-CB 4.21Å; A370-V379 HydrophobicContact CB-CG2 3.95Å
371E92.9Very high92.2Very high106 Ų10646.7 Ų46.750%0.49526%0.264SS..Hα-helixtrans-53.5-45.8171.3-174.5-179.7-178.500110.9S367 R368 L373 G374S367-E371 PolarHBondContact O-N 2.85Å; R368-E371 WeakPolarHBondContact CD-OE2 3.44Å; R368-E371 IonicContact CZ-OE2 3.65Å; R368-E371 IonicContact NE-OE2 3.15Å; R368-E371 IonicContact NH1-OE1 3.04Å; R368-E371 PolarHBondContact NH1-OE1 2.95Å; R368-E371 IonicContact NH1-OE2 3.63Å; R368-E371 PolarHBondContact NH1-OE2 3.17Å; E371-L373 PolarHBondContact O-N 3.29Å; E371-G374 PolarHBondContact O-N 3.16Å
372A92.8Very high92Very high32 Ų3248.5 Ų48.526%0.26428%0.275SS..THydrogen-bonded Turntrans-69.5-13.5175.700000115.2R368 A370 F427 I429R368-A372 WeakPolarHBondContact O-CB 3.45Å; R368-A372 PolarHBondContact O-N 2.84Å; A370-A372 VanDerWaalsContact C-N 3.28Å; A370-A372 PolarHBondContact O-N 3.19Å; A372-F427 HydrophobicContact CB-CB 3.68Å; A372-F427 VanDerWaalsContact CB-O 3.26Å; A372-F427 WeakPolarHBondContact CB-O 3.37Å; A372-I429 HydrophobicContact CB-CD1 4.35Å; A372-I429 HydrophobicContact CB-CG1 4.24Å; A372-I429 WeakPolarHBondContact O-CD1 3.26Å
373L90Very high91.8Very high57 Ų5746.6 Ų46.630%0.29827%0.266SS..THydrogen-bonded Turntrans-94.2-7170.3-75.5166.6000112.8Y369 A370 E371 L375 V379 I429Y369-L373 HydrophobicContact CD1-CD1 4.04Å; Y369-L373 HydrophobicContact CE1-CD1 3.59Å; Y369-L373 HydrophobicContact CE1-CG 4.47Å; Y369-L373 WeakPolarHBondContact O-CG 3.48Å; Y369-L373 PolarHBondContact O-N 3.14Å; A370-L373 CarbonylContact O-C 3.58Å; A370-L373 WeakPolarHBondContact O-CA 3.46Å; A370-L373 WeakPolarHBondContact O-CB 3.05Å; A370-L373 PolarHBondContact O-N 3.09Å; E371-L373 PolarHBondContact O-N 3.29Å; L373-L375 HydrophobicContact CB-CB 4.49Å; L373-L375 HydrophobicContact CB-CD1 3.79Å; L373-L375 HydrophobicContact CB-CG 3.93Å; L373-L375 HydrophobicContact CD1-CD1 4.07Å; L373-V379 HydrophobicContact CD1-CB 4.18Å; L373-V379 HydrophobicContact CD1-CG1 3.97Å; L373-V379 HydrophobicContact CD1-CG2 4.11Å; L373-I429 HydrophobicContact CD2-CD1 3.39Å; L373-I429 HydrophobicContact CG-CD1 3.61Å
374G89.8Confident91.5Very high65 Ų6555.8 Ų55.867%0.6730%0.3SS*.THydrogen-bonded Turntrans70.237.6-171.100000113.2A370 E371A370-G374 PolarHBondContact O-N 3Å; A370-G374 VanDerWaalsContact O-N 3.11Å; E371-G374 PolarHBondContact O-N 3.16Å
375L89.3Confident91Very high69 Ų6958.9 Ų58.936%0.36131%0.313SS..  trans-121.9125.1-176.2-63.4174.8000112.2A370 L373 H377 V379A370-L375 CarbonylContact C-O 3.6Å; A370-L375 HydrophobicContact CB-CB 4.42Å; A370-L375 PolarHBondContact O-N 3.26Å; L373-L375 HydrophobicContact CB-CB 4.49Å; L373-L375 HydrophobicContact CB-CD1 3.79Å; L373-L375 HydrophobicContact CB-CG 3.93Å; L373-L375 HydrophobicContact CD1-CD1 4.07Å; L375-H377 PolarHBondContact O-N 2.83Å; L375-V379 HydrophobicContact CD1-CG2 3.79Å
376D80.1Confident90.6Very high177 Ų17759.4 Ų59.495%0.94732%0.316SS*.SBendtrans-73.18.9-179.1-52-56.9000114.7
377H84.2Confident90.2Very high102 Ų10262.5 Ų62.547%0.47234%0.344SS..SBendtrans-134140.7-17867.7-86.5000111.2A370 L375 V379A370-H377 WeakPolarHBondContact CB-O 3.36Å; L375-H377 PolarHBondContact O-N 2.83Å; H377-V379 PolarHBondContact O-N 3.23Å
378M86.9Confident89.6Confident67 Ų6765.6 Ų65.633%0.3337%0.365SS..  trans-53.2131.5-178.3-64.4177.973.300113F334 I363 N366F334-M378 HydrophobicContact CE1-SD 4.5Å; F334-M378 HydrophobicContact CE2-CG 4.45Å; F334-M378 HydrophobicContact CE2-SD 3.5Å; F334-M378 WeakPolarHBondContact CE2-SD 3.37Å; F334-M378 HydrophobicContact CZ-CG 3.69Å; F334-M378 HydrophobicContact CZ-SD 3.34Å; F334-M378 WeakPolarHBondContact CZ-SD 3.13Å; I363-M378 HydrophobicContact CB-CE 4.14Å; I363-M378 HydrophobicContact CG1-CE 3.96Å; I363-M378 HydrophobicContact CG2-CE 4.21Å; N366-M378 HydrophobicContact CB-CB 4.34Å; N366-M378 HydrophobicContact CB-CE 3.57Å
379V90.2Very high89Confident30 Ų3064.9 Ų64.918%0.18236%0.364CS..  trans-115.2126.1175.2179.40000109.7N366 Y369 A370 L373 L375 H377 V381N366-V379 WeakPolarHBondContact CA-O 3.37Å; N366-V379 WeakPolarHBondContact CB-O 3.41Å; N366-V379 PolarHBondContact O-N 2.84Å; Y369-V379 HydrophobicContact CD1-CB 4.04Å; Y369-V379 HydrophobicContact CD1-CG1 3.92Å; Y369-V379 HydrophobicContact CE1-CB 4.37Å; Y369-V379 HydrophobicContact CE1-CG1 3.77Å; A370-V379 HydrophobicContact CB-CB 4.21Å; A370-V379 HydrophobicContact CB-CG2 3.95Å; L373-V379 HydrophobicContact CD1-CB 4.18Å; L373-V379 HydrophobicContact CD1-CG1 3.97Å; L373-V379 HydrophobicContact CD1-CG2 4.11Å; L375-V379 HydrophobicContact CD1-CG2 3.79Å; H377-V379 PolarHBondContact O-N 3.23Å; V379-V381 PolarHBondContact O-N 3.14Å
380P93.8Very high88.3Confident101 Ų10168.9 Ų68.966%0.65639%0.391SS*.  trans-59.9121.2176.6-25.235.1000112.6N366N366-P380 WeakPolarHBondContact OD1-CA 3.49Å
381V94.6Very high87.7Confident8 Ų870.7 Ų70.75%0.04841%0.41CS..  trans-63.5128.5-176.5-174.30000111.8F365 N366 Y369 V379 Y383 I386 F404 F427F365-V381 HydrophobicContact CB-CG2 4.02Å; F365-V381 VanDerWaalsContact O-CG2 3.25Å; F365-V381 WeakPolarHBondContact O-CG2 3.49Å; N366-V381 PolarHBondContact OD1-N 3.41Å; N366-V381 VanDerWaalsContact OD1-N 3.1Å; Y369-V381 HydrophobicContact CD1-CG2 4.28Å; Y369-V381 HydrophobicContact CD2-CG1 4.41Å; Y369-V381 HydrophobicContact CG-CG1 4.44Å; Y369-V381 HydrophobicContact CG-CG2 3.96Å; V379-V381 PolarHBondContact O-N 3.14Å; V381-Y383 HydrophobicContact CB-CD2 4.31Å; V381-Y383 HydrophobicContact CB-CE1 4.24Å; V381-Y383 HydrophobicContact CB-CE2 3.89Å; V381-Y383 HydrophobicContact CG1-CD1 4.35Å; V381-Y383 HydrophobicContact CG1-CE1 4.25Å; V381-Y383 WeakPolarHBondContact O-CD2 3.41Å; V381-Y383 WeakPolarHBondContact O-CE2 3.21Å; V381-Y383 PolarHBondContact O-N 2.78Å; V381-I386 HydrophobicContact CG1-CD1 3.46Å; V381-I386 VanDerWaalsContact CG1-CD1 3.46Å; V381-F404 HydrophobicContact CG1-CE1 4.29Å; V381-F404 HydrophobicContact CG1-CZ 4.02Å; V381-F427 HydrophobicContact CG1-CE1 4.19Å; V381-F427 HydrophobicContact CG2-CZ 4.35Å
382P91.8Very high87.4Confident37 Ų3765.6 Ų65.624%0.2439%0.387CS..  trans-82.162.5-179.235.1-37.5000111.6Y369 R384 K385 I386 F433Y369-P382 VanDerWaalsContact CE1-CD 3.5Å; Y369-P382 HydrophobicContact CE1-CG 4.31Å; Y369-P382 HydrophobicContact CE2-CG 4.43Å; Y369-P382 VanDerWaalsContact CZ-CD 3.4Å; Y369-P382 WeakPolarHBondContact OH-CG 3.45Å; P382-R384 PolarHBondContact O-N 3.24Å; P382-K385 HydrophobicContact CB-CB 4.18Å; P382-K385 HydrophobicContact CB-CG 4.31Å; P382-K385 PolarHBondContact O-N 3.31Å; P382-I386 HydrophobicContact CG-CD1 4.48Å; P382-I386 HydrophobicContact CG-CG1 4.5Å; P382-I386 PolarHBondContact O-N 3.48Å; P382-I386 VanDerWaalsContact O-N 3.14Å; P382-F433 HydrophobicContact CG-CE2 3.81Å; P382-F433 HydrophobicContact CG-CZ 4.28Å
383Y91.7Very high87.3Confident18 Ų1864.3 Ų64.37%0.07138%0.376CS..Hα-helixtrans-45.3-35.1-175.5-60.6-84000114.6Q362 F365 V381 A387 F404 R406 P407Q362-Y383 PolarHBondContact NE2-OH 3.1Å; F365-Y383 HydrophobicContact CD2-CE1 4.38Å; V381-Y383 HydrophobicContact CB-CD2 4.31Å; V381-Y383 HydrophobicContact CB-CE1 4.24Å; V381-Y383 HydrophobicContact CB-CE2 3.89Å; V381-Y383 HydrophobicContact CG1-CD1 4.35Å; V381-Y383 HydrophobicContact CG1-CE1 4.25Å; V381-Y383 WeakPolarHBondContact O-CD2 3.41Å; V381-Y383 WeakPolarHBondContact O-CE2 3.21Å; V381-Y383 PolarHBondContact O-N 2.78Å; Y383-A387 VanDerWaalsContact O-CB 3.22Å; Y383-A387 WeakPolarHBondContact O-CB 3.2Å; Y383-A387 PolarHBondContact O-N 3.34Å; Y383-F404 HydrophobicContact CD1-CD1 4.44Å; Y383-F404 AromaticContact CD1-CE1 3.64Å; Y383-F404 HydrophobicContact CD1-CE1 3.64Å; Y383-F404 AromaticContact CD1-CZ 3.74Å; Y383-F404 HydrophobicContact CD1-CZ 3.74Å; Y383-F404 AromaticContact CE1-CE1 3.88Å; Y383-F404 HydrophobicContact CE1-CE1 3.88Å; Y383-F404 HydrophobicContact CE1-CE2 4.06Å; Y383-F404 AromaticContact CE1-CZ 3.44Å; Y383-F404 HydrophobicContact CE1-CZ 3.44Å; Y383-F404 VanDerWaalsContact CE1-CZ 3.44Å; Y383-R406 HydrophobicContact CD1-CG 4.2Å; Y383-R406 HydrophobicContact CD2-CG 3.65Å; Y383-R406 HydrophobicContact CE2-CG 4.04Å; Y383-R406 HydrophobicContact CG-CG 3.75Å; Y383-P407 WeakPolarHBondContact OH-CD 3.33Å
384R87Confident87.4Confident206 Ų20665.2 Ų65.278%0.77738%0.378SS*.Hα-helixtrans-73.9-35.7178-170.1177.3-177.5-178.50.9113.2P382 C388P382-R384 PolarHBondContact O-N 3.24Å; R384-C388 PolarHBondContact O-N 2.94Å; R384-C388 PolarHBondContact O-SG 3Å
385K85.8Confident87.5Confident64 Ų6464.1 Ų64.128%0.27836%0.356SS..Hα-helixtrans-68.5-45174.1-65.7-164.8174.6-169.80109.7P382 A387 C388 D389 F433 E435 F438P382-K385 HydrophobicContact CB-CB 4.18Å; P382-K385 HydrophobicContact CB-CG 4.31Å; P382-K385 PolarHBondContact O-N 3.31Å; K385-A387 PolarHBondContact O-N 3.28Å; K385-C388 PolarHBondContact O-N 3.33Å; K385-D389 PolarHBondContact O-N 3.48Å; K385-F433 HydrophobicContact CB-CD1 3.72Å; K385-F433 HydrophobicContact CB-CD2 4.21Å; K385-F433 HydrophobicContact CB-CE1 3.62Å; K385-F433 HydrophobicContact CB-CE2 4.14Å; K385-F433 HydrophobicContact CB-CG 4.01Å; K385-F433 HydrophobicContact CB-CZ 3.85Å; K385-F433 HydrophobicContact CD-CB 3.92Å; K385-F433 HydrophobicContact CD-CD1 4.35Å; K385-F433 HydrophobicContact CD-CD2 3.9Å; K385-F433 HydrophobicContact CD-CG 3.81Å; K385-E435 IonicContact NZ-OE1 3.88Å; K385-E435 PolarHBondContact NZ-OE1 2.93Å; K385-F438 HydrophobicContact CB-CE1 4.39Å; K385-F438 HydrophobicContact CB-CZ 3.94Å; K385-F438 HydrophobicContact CD-CE2 4.32Å; K385-F438 HydrophobicContact CD-CZ 4.34Å; K385-F438 HydrophobicContact CG-CE1 4.14Å; K385-F438 HydrophobicContact CG-CE2 4.36Å; K385-F438 HydrophobicContact CG-CZ 3.89Å
386I89Confident87.7Confident11 Ų1164.1 Ų64.16%0.05636%0.356CS..Hα-helixtrans-60.3-45.7176.1-60.3169.5000111.6V381 P382 C388 D389 P390 V393 F404 F433V381-I386 HydrophobicContact CG1-CD1 3.46Å; V381-I386 VanDerWaalsContact CG1-CD1 3.46Å; P382-I386 HydrophobicContact CG-CD1 4.48Å; P382-I386 HydrophobicContact CG-CG1 4.5Å; P382-I386 PolarHBondContact O-N 3.48Å; P382-I386 VanDerWaalsContact O-N 3.14Å; I386-C388 VanDerWaalsContact C-N 3.26Å; I386-C388 PolarHBondContact O-N 3.09Å; I386-D389 CarbonylContact O-C 3.59Å; I386-D389 PolarHBondContact O-N 3.39Å; I386-D389 VanDerWaalsContact O-N 3.13Å; I386-P390 VanDerWaalsContact O-N 3.13Å; I386-V393 HydrophobicContact CD1-CG1 4.48Å; I386-V393 HydrophobicContact CG1-CB 4.29Å; I386-V393 HydrophobicContact CG1-CG2 4.33Å; I386-F404 HydrophobicContact CD1-CE1 4.01Å; I386-F404 HydrophobicContact CG2-CD1 4.35Å; I386-F404 HydrophobicContact CG2-CE1 4.4Å; I386-F433 HydrophobicContact CG1-CE1 4.43Å; I386-F433 HydrophobicContact CG1-CZ 3.73Å
387A85.2Confident88Confident85 Ų8556.9 Ų56.970%0.70232%0.323SS*.Hα-helixtrans-68.6-21.5179.200000114.2Y383 K385Y383-A387 VanDerWaalsContact O-CB 3.22Å; Y383-A387 WeakPolarHBondContact O-CB 3.2Å; Y383-A387 PolarHBondContact O-N 3.34Å; K385-A387 PolarHBondContact O-N 3.28Å
388C82.5Confident88.4Confident87 Ų8753.5 Ų53.559%0.58831%0.308SS*.Hα-helixtrans-87.3-20.8171.5-70.80000112.9R384 K385 I386 F438R384-C388 PolarHBondContact O-N 2.94Å; R384-C388 PolarHBondContact O-SG 3Å; K385-C388 PolarHBondContact O-N 3.33Å; I386-C388 VanDerWaalsContact C-N 3.26Å; I386-C388 PolarHBondContact O-N 3.09Å; C388-F438 HydrophobicContact CB-CE1 4.03Å
389D82Confident88.6Confident22 Ų2250.7 Ų50.712%0.11830%0.295CS..  trans-146.776.3-176.3-171-0.6000111.6K385 I386 G391 A392 R431K385-D389 PolarHBondContact O-N 3.48Å; I386-D389 CarbonylContact O-C 3.59Å; I386-D389 PolarHBondContact O-N 3.39Å; I386-D389 VanDerWaalsContact O-N 3.13Å; D389-G391 PolarHBondContact O-N 3.16Å; D389-G391 VanDerWaalsContact O-N 3.16Å; D389-G391 PolarHBondContact OD1-N 3.2Å; D389-A392 HydrophobicContact CB-CB 4.44Å; D389-A392 PolarHBondContact O-N 3.09Å; D389-A392 PolarHBondContact OD1-N 3.46Å; D389-R431 VanDerWaalsContact CG-NH2 3.28Å; D389-R431 IonicContact OD1-CZ 2.77Å; D389-R431 IonicContact OD1-NH1 3.64Å; D389-R431 IonicContact OD1-NH2 2.67Å; D389-R431 PolarHBondContact OD1-NH2 3.35Å; D389-R431 IonicContact OD2-CZ 2.74Å; D389-R431 VanDerWaalsContact OD2-CZ 3.31Å; D389-R431 IonicContact OD2-NH1 2.81Å; D389-R431 PolarHBondContact OD2-NH1 3.25Å; D389-R431 IonicContact OD2-NH2 3.93Å; D389-R431 PolarHBondContact OD2-NH2 3Å
390P80.6Confident87.7Confident100 Ų10056.4 Ų56.465%0.64933%0.325SS*.THydrogen-bonded Turntrans-69.4-6.8178.529.3-35.9000113.1I386I386-P390 VanDerWaalsContact O-N 3.13Å
391G81.3Confident86.9Confident40 Ų4060.1 Ų60.141%0.41233%0.334SS..THydrogen-bonded Turntrans-84.7-10.5173.800000114.1D389D389-G391 PolarHBondContact O-N 3.16Å; D389-G391 VanDerWaalsContact O-N 3.16Å; D389-G391 PolarHBondContact OD1-N 3.2Å
392A86.8Confident86.7Confident0 Ų060.4 Ų60.40%034%0.335CS..THydrogen-bonded Turntrans-83.4-35.7177.500000112.9D389 K430 R431 F433D389-A392 HydrophobicContact CB-CB 4.44Å; D389-A392 PolarHBondContact O-N 3.09Å; D389-A392 PolarHBondContact OD1-N 3.46Å; A392-K430 PolarHBondContact O-N 3.31Å; A392-R431 HydrophobicContact CB-CG 4.36Å; A392-R431 PolarHBondContact O-N 3.16Å; A392-F433 HydrophobicContact CB-CD1 3.86Å; A392-F433 HydrophobicContact CB-CE1 3.62Å; A392-F433 HydrophobicContact CB-CZ 4.33Å
393V91.3Very high86.6Confident5 Ų561.8 Ų61.83%0.0334%0.344CS..EExtended strand (participates in β ladder)trans-136.1115.2-174.9-176.70000109.8I386 I395 F427 I428 I429 F433I386-V393 HydrophobicContact CD1-CG1 4.48Å; I386-V393 HydrophobicContact CG1-CB 4.29Å; I386-V393 HydrophobicContact CG1-CG2 4.33Å; V393-I395 HydrophobicContact CG1-CG1 4.39Å; V393-F427 HydrophobicContact CG1-CB 4.47Å; V393-F427 HydrophobicContact CG1-CD1 3.85Å; V393-I428 WeakPolarHBondContact CA-O 2.97Å; V393-I429 HydrophobicContact CG2-CG1 4.38Å; V393-F433 HydrophobicContact CG2-CE1 4.37Å; V393-F433 HydrophobicContact CG2-CE2 4.12Å; V393-F433 HydrophobicContact CG2-CZ 3.61Å
394E91.2Very high86.6Confident76 Ų7663.4 Ų63.436%0.35535%0.351SS..EExtended strand (participates in β ladder)trans-88.6149.1170175.5165.3-97.300110I396 F427 I428 K430E394-I396 HydrophobicContact CG-CG1 4.17Å; E394-F427 CarbonylContact O-C 3.59Å; E394-F427 WeakPolarHBondContact O-CA 3.43Å; E394-I428 HydrophobicContact CB-CB 4.3Å; E394-I428 PolarHBondContact N-O 3.03Å; E394-I428 PolarHBondContact O-N 3.49Å; E394-K430 HydrophobicContact CB-CD 4.33Å; E394-K430 VanDerWaalsContact CD-CE 3.49Å; E394-K430 IonicContact OE1-NZ 3.72Å; E394-K430 PolarHBondContact OE1-NZ 3.43Å; E394-K430 WeakPolarHBondContact OE2-CE 3.33Å; E394-K430 IonicContact OE2-NZ 2.74Å; E394-K430 PolarHBondContact OE2-NZ 2.98Å
395I93.4Very high86.8Confident41 Ų4159 Ų5921%0.2134%0.337CS..EExtended strand (participates in β ladder)trans-135.4121.4-178.1-45.6175.6000107.5V393 I398 F404 R426 F427V393-I395 HydrophobicContact CG1-CG1 4.39Å; I395-I398 HydrophobicContact CG2-CD1 3.65Å; I395-I398 HydrophobicContact CG2-CG1 4.12Å; I395-F404 HydrophobicContact CD1-CB 4.23Å; I395-F404 HydrophobicContact CD1-CD1 3.35Å; I395-F404 HydrophobicContact CD1-CD2 3.8Å; I395-F404 HydrophobicContact CD1-CE1 3.49Å; I395-F404 VanDerWaalsContact CD1-CE1 3.49Å; I395-F404 HydrophobicContact CD1-CE2 3.92Å; I395-F404 HydrophobicContact CD1-CG 3.51Å; I395-F404 HydrophobicContact CD1-CZ 3.77Å; I395-R426 WeakPolarHBondContact CA-O 3.32Å; I395-F427 HydrophobicContact CD1-CD1 3.95Å; I395-F427 HydrophobicContact CD1-CE1 3.52Å; I395-F427 HydrophobicContact CD1-CZ 4.27Å; I395-F427 HydrophobicContact CG1-CD1 3.72Å; I395-F427 HydrophobicContact CG1-CE1 3.83Å; I395-F427 HydrophobicContact CG1-CG 4.48Å; I395-F427 HydrophobicContact CG2-CD1 4.35Å; I395-F427 HydrophobicContact CG2-CE1 4.25Å; I395-F427 HydrophobicContact CG2-CE2 4.42Å; I395-F427 HydrophobicContact CG2-CG 4.49Å; I395-F427 HydrophobicContact CG2-CZ 4.29Å
396I91.8Very high87.2Confident69 Ų6962.2 Ų62.235%0.35435%0.348SS..EExtended strand (participates in β ladder)trans-112.2146.9-174.6-60.7-176.5000108.8E394 I425 R426 I428E394-I396 HydrophobicContact CG-CG1 4.17Å; I396-I425 VanDerWaalsContact O-CA 3.3Å; I396-I425 WeakPolarHBondContact O-CA 3.3Å; I396-R426 PolarHBondContact N-O 3.08Å; I396-R426 PolarHBondContact O-N 2.85Å; I396-I428 HydrophobicContact CD1-CD1 3.61Å; I396-I428 HydrophobicContact CG1-CD1 4.44Å
397G87.9Confident87.4Confident25 Ų2561.8 Ų61.826%0.25835%0.346SS..  trans80.518.8172.300000115.3I425G397-I425 WeakPolarHBondContact O-CG1 3.46Å
398I91.6Very high87.7Confident31 Ų3161.4 Ų61.416%0.15934%0.337CS..PPolyproline II helixtrans-84.3134.8165.1-68.5-178.2000107.9F365 I395 I402 F404 I425F365-I398 HydrophobicContact CE1-CD1 4.19Å; F365-I398 HydrophobicContact CZ-CD1 4.29Å; I395-I398 HydrophobicContact CG2-CD1 3.65Å; I395-I398 HydrophobicContact CG2-CG1 4.12Å; I398-I402 HydrophobicContact CG2-CB 4.09Å; I398-I402 HydrophobicContact CG2-CG2 4.26Å; I398-I402 WeakPolarHBondContact CG2-O 3.4Å; I398-F404 HydrophobicContact CD1-CB 4.29Å; I398-F404 HydrophobicContact CD1-CD2 3.5Å; I398-F404 HydrophobicContact CD1-CE2 4.25Å; I398-F404 HydrophobicContact CD1-CG 4.28Å; I398-I425 HydrophobicContact CG1-CD1 4.29Å; I398-I425 HydrophobicContact CG1-CG1 4.18Å
399P90.8Very high88.1Confident9 Ų961.2 Ų61.26%0.05833%0.333CS..PPolyproline II helixtrans-56.1143.2-177.5-20.221.9000113.4I402 R417 E421P399-I402 HydrophobicContact CB-CD1 3.9Å; P399-I402 HydrophobicContact CB-CG1 4.29Å; P399-I402 HydrophobicContact CG-CD1 4.01Å; P399-I402 WeakPolarHBondContact O-CB 3.45Å; P399-I402 PolarHBondContact O-N 3.43Å; P399-I402 VanDerWaalsContact O-N 3.15Å; P399-R417 HydrophobicContact CG-CB 4.08Å; P399-R417 WeakPolarHBondContact CG-O 3.38Å; P399-E421 WeakPolarHBondContact CA-OE2 3.31Å; P399-E421 WeakPolarHBondContact CB-OE1 3.38Å; P399-E421 HydrophobicContact CG-CB 4.25Å; P399-E421 VanDerWaalsContact CG-CD 3.47Å; P399-E421 HydrophobicContact CG-CG 4.17Å; P399-E421 WeakPolarHBondContact CG-OE1 3.32Å
400D72.4Confident88.6Confident150 Ų15060.6 Ų60.680%0.80233%0.33SS*.THydrogen-bonded Turntrans-52.8146.6177.1-74.6-40.7000112.5I402D400-I402 PolarHBondContact O-N 3.09Å
401Q76.9Confident89.2Confident179 Ų17957.5 Ų57.584%0.83632%0.315SS*.THydrogen-bonded Turntrans65.27.9-174-44.1-66.33.100115.8P403Q401-P403 WeakPolarHBondContact O-CD 3.35Å
402I89.6Confident89.8Confident14 Ų1457.3 Ų57.37%0.07231%0.306CS..  trans-104.5100.9173.7-54.8-170.8000111I398 P399 D400 Y410 K414 R417 I418I398-I402 HydrophobicContact CG2-CB 4.09Å; I398-I402 HydrophobicContact CG2-CG2 4.26Å; I398-I402 WeakPolarHBondContact CG2-O 3.4Å; P399-I402 HydrophobicContact CB-CD1 3.9Å; P399-I402 HydrophobicContact CB-CG1 4.29Å; P399-I402 HydrophobicContact CG-CD1 4.01Å; P399-I402 WeakPolarHBondContact O-CB 3.45Å; P399-I402 PolarHBondContact O-N 3.43Å; P399-I402 VanDerWaalsContact O-N 3.15Å; D400-I402 PolarHBondContact O-N 3.09Å; I402-Y410 HydrophobicContact CG2-CE1 3.97Å; I402-K414 HydrophobicContact CD1-CB 4.26Å; I402-K414 HydrophobicContact CD1-CG 4.47Å; I402-R417 HydrophobicContact CD1-CB 3.99Å; I402-I418 HydrophobicContact CD1-CG1 4.09Å; I402-I418 HydrophobicContact CG2-CD1 3.96Å; I402-I418 HydrophobicContact CG2-CG1 4.17Å
403P89.2Confident90.1Very high66 Ų6661.8 Ų61.843%0.42934%0.335SS..  trans-73.5132.6179.829.6-34.8000111.5Q401 K405 Y410Q401-P403 WeakPolarHBondContact O-CD 3.35Å; P403-K405 PolarHBondContact O-N 3.04Å; P403-K405 VanDerWaalsContact O-N 3.13Å; P403-Y410 PolarHBondContact O-OH 2.92Å
404F92.9Very high90.2Very high51 Ų5166.3 Ų66.322%0.22435%0.354CS..  trans-61.4113.1-177.6-175.6-111.3000113.2F365 V381 Y383 I386 I395 I398 F427F365-F404 HydrophobicContact CD1-CE2 4.19Å; F365-F404 AromaticContact CD2-CE2 3.87Å; F365-F404 HydrophobicContact CD2-CE2 3.87Å; F365-F404 HydrophobicContact CE1-CE2 4.06Å; F365-F404 HydrophobicContact CE2-CD2 4.22Å; F365-F404 AromaticContact CE2-CE2 3.71Å; F365-F404 HydrophobicContact CE2-CE2 3.71Å; F365-F404 HydrophobicContact CG-CE2 4.1Å; F365-F404 HydrophobicContact CZ-CD2 4.08Å; F365-F404 AromaticContact CZ-CE2 3.81Å; F365-F404 HydrophobicContact CZ-CE2 3.81Å; V381-F404 HydrophobicContact CG1-CE1 4.29Å; V381-F404 HydrophobicContact CG1-CZ 4.02Å; Y383-F404 HydrophobicContact CD1-CD1 4.44Å; Y383-F404 AromaticContact CD1-CE1 3.64Å; Y383-F404 HydrophobicContact CD1-CE1 3.64Å; Y383-F404 AromaticContact CD1-CZ 3.74Å; Y383-F404 HydrophobicContact CD1-CZ 3.74Å; Y383-F404 AromaticContact CE1-CE1 3.88Å; Y383-F404 HydrophobicContact CE1-CE1 3.88Å; Y383-F404 HydrophobicContact CE1-CE2 4.06Å; Y383-F404 AromaticContact CE1-CZ 3.44Å; Y383-F404 HydrophobicContact CE1-CZ 3.44Å; Y383-F404 VanDerWaalsContact CE1-CZ 3.44Å; I386-F404 HydrophobicContact CD1-CE1 4.01Å; I386-F404 HydrophobicContact CG2-CD1 4.35Å; I386-F404 HydrophobicContact CG2-CE1 4.4Å; I395-F404 HydrophobicContact CD1-CB 4.23Å; I395-F404 HydrophobicContact CD1-CD1 3.35Å; I395-F404 HydrophobicContact CD1-CD2 3.8Å; I395-F404 HydrophobicContact CD1-CE1 3.49Å; I395-F404 VanDerWaalsContact CD1-CE1 3.49Å; I395-F404 HydrophobicContact CD1-CE2 3.92Å; I395-F404 HydrophobicContact CD1-CG 3.51Å; I395-F404 HydrophobicContact CD1-CZ 3.77Å; I398-F404 HydrophobicContact CD1-CB 4.29Å; I398-F404 HydrophobicContact CD1-CD2 3.5Å; I398-F404 HydrophobicContact CD1-CE2 4.25Å; I398-F404 HydrophobicContact CD1-CG 4.28Å; F404-F427 HydrophobicContact CE1-CE1 4.32Å; F404-F427 HydrophobicContact CE2-CE1 4.22Å; F404-F427 AromaticContact CE2-CZ 3.88Å; F404-F427 HydrophobicContact CE2-CZ 3.88Å; F404-F427 AromaticContact CZ-CE1 3.72Å; F404-F427 HydrophobicContact CZ-CE1 3.72Å; F404-F427 AromaticContact CZ-CZ 3.73Å; F404-F427 HydrophobicContact CZ-CZ 3.73Å
405K91.7Very high90.5Very high114 Ų11462.7 Ų62.750%0.49634%0.338SS..  trans-143.9177.5-179.3-64.7-178.8-178.4179.70110.8P403 T409 Y410P403-K405 PolarHBondContact O-N 3.04Å; P403-K405 VanDerWaalsContact O-N 3.13Å; K405-T409 VanDerWaalsContact CB-OG1 3.24Å; K405-T409 WeakPolarHBondContact CB-OG1 3.38Å; K405-Y410 HydrophobicContact CB-CE1 4.19Å; K405-Y410 PolarHBondContact N-OH 3.46Å; K405-Y410 PolarHBondContact O-OH 3.2Å
406R93.4Very high90.5Very high131 Ų13162.4 Ų62.449%0.49434%0.335SS..  trans-63141.4175.6-70176.2175.6-90.81.4110.7Y383 C408 T409Y383-R406 HydrophobicContact CD1-CG 4.2Å; Y383-R406 HydrophobicContact CD2-CG 3.65Å; Y383-R406 HydrophobicContact CE2-CG 4.04Å; Y383-R406 HydrophobicContact CG-CG 3.75Å; R406-C408 PolarHBondContact O-N 3.44Å; R406-C408 VanDerWaalsContact O-N 3.13Å; R406-T409 HydrophobicContact CB-CG2 4.35Å; R406-T409 PolarHBondContact O-N 2.95Å; R406-T409 PolarHBondContact O-OG1 2.92Å
407P92.9Very high90.7Very high2 Ų266.4 Ų66.41%0.01335%0.345CS..G310 helixtrans-54.1-36.3-179.4-28.235.8000114.2V361 Q362 F365 Y383 T409 Y410V361-P407 HydrophobicContact CB-CB 4.31Å; V361-P407 HydrophobicContact CB-CG 4.46Å; V361-P407 HydrophobicContact CG1-CB 4.2Å; V361-P407 HydrophobicContact CG1-CG 4.05Å; Q362-P407 HydrophobicContact CB-CB 4.44Å; Q362-P407 HydrophobicContact CB-CG 3.92Å; Q362-P407 HydrophobicContact CG-CG 4.48Å; F365-P407 HydrophobicContact CD2-CG 4.16Å; Y383-P407 WeakPolarHBondContact OH-CD 3.33Å; P407-T409 PolarHBondContact O-N 3.45Å; P407-T409 VanDerWaalsContact O-N 3.13Å; P407-Y410 PolarHBondContact O-N 3.01Å; P407-Y410 VanDerWaalsContact O-N 3.13Å
408C90.9Very high91Very high77 Ų7765.2 Ų65.252%0.5233%0.333SS..G310 helixtrans-62.5-15.517659.20000115R358 R406R358-C408 PolarHBondContact NH2-O 3.14Å; R358-C408 VanDerWaalsContact NH2-O 3.14Å; R406-C408 PolarHBondContact O-N 3.44Å; R406-C408 VanDerWaalsContact O-N 3.13Å
409T92.1Very high91.2Very high83 Ų8363.7 Ų63.751%0.50933%0.326SS..G310 helixtrans-91.8-2.1177.3660000113.9K405 R406 P407K405-T409 VanDerWaalsContact CB-OG1 3.24Å; K405-T409 WeakPolarHBondContact CB-OG1 3.38Å; R406-T409 HydrophobicContact CB-CG2 4.35Å; R406-T409 PolarHBondContact O-N 2.95Å; R406-T409 PolarHBondContact O-OG1 2.92Å; P407-T409 PolarHBondContact O-N 3.45Å; P407-T409 VanDerWaalsContact O-N 3.13Å
410Y92.6Very high91.3Very high10 Ų1066.8 Ų66.84%0.03934%0.342CS..  trans-97.5150.5172.9-52.9-51.5000111.3R358 F365 I402 P403 K405 P407 L415 I418R358-Y410 PolarHBondContact NH2-O 3.44Å; F365-Y410 HydrophobicContact CE2-CE2 4.15Å; I402-Y410 HydrophobicContact CG2-CE1 3.97Å; P403-Y410 PolarHBondContact O-OH 2.92Å; K405-Y410 HydrophobicContact CB-CE1 4.19Å; K405-Y410 PolarHBondContact N-OH 3.46Å; K405-Y410 PolarHBondContact O-OH 3.2Å; P407-Y410 PolarHBondContact O-N 3.01Å; P407-Y410 VanDerWaalsContact O-N 3.13Å; Y410-L415 HydrophobicContact CD2-CD2 3.89Å; Y410-L415 HydrophobicContact CG-CD2 4.36Å; Y410-I418 HydrophobicContact CD2-CD1 3.65Å; Y410-I418 HydrophobicContact CE1-CD1 4.42Å; Y410-I418 HydrophobicContact CE2-CD1 3.43Å; Y410-I418 VanDerWaalsContact CE2-CD1 3.43Å; Y410-I418 HydrophobicContact CG-CD1 4.24Å
411G92.1Very high92.3Very high34 Ų3463.8 Ų63.835%0.35132%0.323SS..  trans-96.7166164.900000111.7K414 L415G411-K414 PolarHBondContact O-N 2.9Å; G411-L415 PolarHBondContact O-N 2.95Å; G411-L415 VanDerWaalsContact O-N 3.12Å
412V93.8Very high93.1Very high37 Ų3755.3 Ų55.322%0.22428%0.283CS..Hα-helixtrans-45-48.3-173.4174.40000114.3I354 L357 K414 L415 K416I354-V412 HydrophobicContact CB-CG2 3.71Å; I354-V412 HydrophobicContact CD1-CG2 4.11Å; I354-V412 HydrophobicContact CG1-CG2 3.78Å; L357-V412 HydrophobicContact CD1-CB 4.46Å; L357-V412 HydrophobicContact CD1-CG1 3.8Å; L357-V412 HydrophobicContact CD1-CG2 4.31Å; V412-K414 VanDerWaalsContact C-N 3.28Å; V412-K414 PolarHBondContact O-N 3.34Å; V412-L415 PolarHBondContact O-N 3.33Å; V412-L415 VanDerWaalsContact O-N 3.15Å; V412-K416 HydrophobicContact CG1-CD 4.18Å; V412-K416 HydrophobicContact CG1-CG 4.35Å; V412-K416 PolarHBondContact O-N 3.4Å
413P93.4Very high93.3Very high94 Ų9457.5 Ų57.561%0.6129%0.293SS*.Hα-helixtrans-64.5-28.4-177.7-23.335.2000114.5R417P413-R417 WeakPolarHBondContact O-CG 3.29Å
414K94.7Very high93.4Very high99 Ų9956 Ų5643%0.4329%0.29SS..Hα-helixtrans-82-35.2175.4-65.1-166.6179.5-164.50111.4I402 G411 V412 I418I402-K414 HydrophobicContact CD1-CB 4.26Å; I402-K414 HydrophobicContact CD1-CG 4.47Å; G411-K414 PolarHBondContact O-N 2.9Å; V412-K414 VanDerWaalsContact C-N 3.28Å; V412-K414 PolarHBondContact O-N 3.34Å; K414-I418 WeakPolarHBondContact O-CD1 3.47Å; K414-I418 WeakPolarHBondContact O-CG1 3.26Å; K414-I418 PolarHBondContact O-N 3.26Å; K414-I418 VanDerWaalsContact O-N 3.16Å
415L95.6Very high93.5Very high0 Ų053.6 Ų53.60%028%0.279CS..Hα-helixtrans-63.9-43.6174.9-67.2163.7000111.8I354 L357 R358 V361 Y410 G411 V412 I418 L419I354-L415 HydrophobicContact CG1-CD1 3.84Å; L357-L415 HydrophobicContact CB-CB 4.04Å; L357-L415 HydrophobicContact CB-CD1 4.06Å; R358-L415 HydrophobicContact CG-CD1 3.74Å; R358-L415 HydrophobicContact CG-CD2 4.2Å; V361-L415 HydrophobicContact CB-CD2 4.08Å; V361-L415 HydrophobicContact CG1-CD2 4.48Å; V361-L415 HydrophobicContact CG2-CD2 3.77Å; Y410-L415 HydrophobicContact CD2-CD2 3.89Å; Y410-L415 HydrophobicContact CG-CD2 4.36Å; G411-L415 PolarHBondContact O-N 2.95Å; G411-L415 VanDerWaalsContact O-N 3.12Å; V412-L415 PolarHBondContact O-N 3.33Å; V412-L415 VanDerWaalsContact O-N 3.15Å; L415-I418 PolarHBondContact O-N 2.84Å; L415-L419 WeakPolarHBondContact O-CG 3.14Å; L415-L419 PolarHBondContact O-N 3.11Å; L415-L419 VanDerWaalsContact O-N 3.11Å
416K94.8Very high93.6Very high36 Ų3655 Ų5516%0.15728%0.281CS..Hα-helixtrans-58.8-53.5176.2-70.5-172.3177.4-175.60111.4I348 R349 T351 L357 V412 I418 L419 D420I348-K416 WeakPolarHBondContact O-CD 3.36Å; I348-K416 WeakPolarHBondContact O-CE 3.34Å; R349-K416 PolarHBondContact O-NZ 3.4Å; T351-K416 WeakPolarHBondContact O-CE 3.34Å; T351-K416 PolarHBondContact O-NZ 3.24Å; L357-K416 HydrophobicContact CD1-CG 4.16Å; L357-K416 HydrophobicContact CD2-CG 4.38Å; V412-K416 HydrophobicContact CG1-CD 4.18Å; V412-K416 HydrophobicContact CG1-CG 4.35Å; V412-K416 PolarHBondContact O-N 3.4Å; K416-I418 VanDerWaalsContact C-N 3.32Å; K416-I418 PolarHBondContact O-N 3.23Å; K416-L419 CarbonylContact O-C 3.58Å; K416-L419 WeakPolarHBondContact O-CA 3.16Å; K416-L419 WeakPolarHBondContact O-CB 3.44Å; K416-L419 PolarHBondContact O-N 3.41Å; K416-D420 VanDerWaalsContact C-OD2 3.25Å; K416-D420 VanDerWaalsContact O-CG 3.24Å; K416-D420 PolarHBondContact O-N 2.93Å; K416-D420 VanDerWaalsContact O-OD2 3.08Å
417R94.8Very high93.7Very high152 Ų15249.2 Ų49.257%0.57426%0.26SS*.Hα-helixtrans-54.4-41176.7-68.8-179.6-173.6-174.71114.2P399 I402 P413 L419 D420 E421P399-R417 HydrophobicContact CG-CB 4.08Å; P399-R417 WeakPolarHBondContact CG-O 3.38Å; I402-R417 HydrophobicContact CD1-CB 3.99Å; P413-R417 WeakPolarHBondContact O-CG 3.29Å; R417-L419 VanDerWaalsContact C-N 3.27Å; R417-L419 PolarHBondContact O-N 3.4Å; R417-D420 WeakPolarHBondContact CA-OD2 3.3Å; R417-D420 PolarHBondContact N-OD2 2.82Å; R417-D420 PolarHBondContact O-N 2.84Å; R417-E421 PolarHBondContact O-N 3.43Å
418I95.4Very high93.7Very high0 Ų052.6 Ų52.60%028%0.277CS..Hα-helixtrans-64.4-33.5175.4-65.2162.5000111.4V361 L364 F365 I402 Y410 K414 L415 K416 R422 I425V361-I418 HydrophobicContact CG1-CD1 4.49Å; V361-I418 HydrophobicContact CG1-CG2 3.84Å; V361-I418 HydrophobicContact CG2-CB 4.28Å; V361-I418 HydrophobicContact CG2-CG2 3.97Å; L364-I418 HydrophobicContact CD2-CG2 4.32Å; F365-I418 HydrophobicContact CE1-CG2 4.08Å; F365-I418 HydrophobicContact CZ-CG2 3.93Å; I402-I418 HydrophobicContact CD1-CG1 4.09Å; I402-I418 HydrophobicContact CG2-CD1 3.96Å; I402-I418 HydrophobicContact CG2-CG1 4.17Å; Y410-I418 HydrophobicContact CD2-CD1 3.65Å; Y410-I418 HydrophobicContact CE1-CD1 4.42Å; Y410-I418 HydrophobicContact CE2-CD1 3.43Å; Y410-I418 VanDerWaalsContact CE2-CD1 3.43Å; Y410-I418 HydrophobicContact CG-CD1 4.24Å; K414-I418 WeakPolarHBondContact O-CD1 3.47Å; K414-I418 WeakPolarHBondContact O-CG1 3.26Å; K414-I418 PolarHBondContact O-N 3.26Å; K414-I418 VanDerWaalsContact O-N 3.16Å; L415-I418 PolarHBondContact O-N 2.84Å; K416-I418 VanDerWaalsContact C-N 3.32Å; K416-I418 PolarHBondContact O-N 3.23Å; I418-R422 PolarHBondContact O-N 3.44Å; I418-I425 HydrophobicContact CG2-CD1 3.69Å; I418-I425 VanDerWaalsContact O-CD1 3.28Å; I418-I425 WeakPolarHBondContact O-CD1 3.4Å
419L94.7Very high93.8Very high0 Ų050.9 Ų50.90%026%0.263CS..Hα-helixtrans-83.1-25.8178.3-67.6172.3000113.3I348 L357 C360 V361 L364 L415 K416 R417 R422I348-L419 HydrophobicContact CD1-CB 4.14Å; I348-L419 HydrophobicContact CG1-CB 4.42Å; I348-L419 HydrophobicContact CG2-CB 3.7Å; I348-L419 HydrophobicContact CG2-CD1 4.32Å; L357-L419 HydrophobicContact CD2-CD1 3.69Å; C360-L419 HydrophobicContact CB-CD1 3.75Å; C360-L419 HydrophobicContact CB-CD2 3.75Å; C360-L419 HydrophobicContact CB-CG 4.42Å; V361-L419 HydrophobicContact CG2-CD1 3.98Å; V361-L419 HydrophobicContact CG2-CD2 3.68Å; V361-L419 HydrophobicContact CG2-CG 3.57Å; L364-L419 HydrophobicContact CD2-CD2 4.34Å; L415-L419 WeakPolarHBondContact O-CG 3.14Å; L415-L419 PolarHBondContact O-N 3.11Å; L415-L419 VanDerWaalsContact O-N 3.11Å; K416-L419 CarbonylContact O-C 3.58Å; K416-L419 WeakPolarHBondContact O-CA 3.16Å; K416-L419 WeakPolarHBondContact O-CB 3.44Å; K416-L419 PolarHBondContact O-N 3.41Å; R417-L419 VanDerWaalsContact C-N 3.27Å; R417-L419 PolarHBondContact O-N 3.4Å; L419-R422 VanDerWaalsContact O-CB 3.32Å; L419-R422 WeakPolarHBondContact O-CB 3.48Å; L419-R422 WeakPolarHBondContact O-CD 3.43Å; L419-R422 WeakPolarHBondContact O-CG 3.38Å; L419-R422 PolarHBondContact O-N 3.41Å; L419-R422 PolarHBondContact O-NH1 3.47Å
420D93.8Very high93.7Very high74 Ų7452.8 Ų52.840%0.39626%0.264SS..Hα-helixtrans-63.9-44.1170.1-59.5-44000109.7K416 R417 R422K416-D420 VanDerWaalsContact C-OD2 3.25Å; K416-D420 VanDerWaalsContact O-CG 3.24Å; K416-D420 PolarHBondContact O-N 2.93Å; K416-D420 VanDerWaalsContact O-OD2 3.08Å; R417-D420 WeakPolarHBondContact CA-OD2 3.3Å; R417-D420 PolarHBondContact N-OD2 2.82Å; R417-D420 PolarHBondContact O-N 2.84Å; D420-R422 VanDerWaalsContact C-N 3.34Å; D420-R422 PolarHBondContact O-N 3.22Å
421E93.4Very high93.3Very high87 Ų8757.5 Ų57.541%0.40728%0.281SS..THydrogen-bonded Turntrans-85.910.7177.1-70.8-179.8-142.300114.8P399 R417 H423 G424 I425P399-E421 WeakPolarHBondContact CA-OE2 3.31Å; P399-E421 WeakPolarHBondContact CB-OE1 3.38Å; P399-E421 HydrophobicContact CG-CB 4.25Å; P399-E421 VanDerWaalsContact CG-CD 3.47Å; P399-E421 HydrophobicContact CG-CG 4.17Å; P399-E421 WeakPolarHBondContact CG-OE1 3.32Å; R417-E421 PolarHBondContact O-N 3.43Å; E421-H423 PolarHBondContact O-N 2.74Å; E421-G424 PolarHBondContact O-N 3.02Å; E421-I425 PolarHBondContact O-N 3.35Å
422R93.7Very high92.8Very high0 Ų062.8 Ų62.80%030%0.299CS..THydrogen-bonded Turntrans-54.7-24.3-171.869-169.3-178.1-68.9-2.6116.7I336 V337 E339 D345 L364 I418 L419 D420I336-R422 PolarHBondContact O-NE 3.37Å; V337-R422 VanDerWaalsContact O-CD 3.25Å; V337-R422 WeakPolarHBondContact O-CD 3.4Å; V337-R422 PolarHBondContact O-NE 3.38Å; E339-R422 PolarHBondContact O-NH2 3.33Å; D345-R422 IonicContact OD1-CZ 2.69Å; D345-R422 IonicContact OD1-NH1 3.69Å; D345-R422 PolarHBondContact OD1-NH1 3.49Å; D345-R422 IonicContact OD1-NH2 2.73Å; D345-R422 PolarHBondContact OD1-NH2 3.49Å; L364-R422 HydrophobicContact CD1-CB 4.07Å; L364-R422 WeakPolarHBondContact CD1-O 3.33Å; L364-R422 HydrophobicContact CD2-CB 3.65Å; I418-R422 PolarHBondContact O-N 3.44Å; L419-R422 VanDerWaalsContact O-CB 3.32Å; L419-R422 WeakPolarHBondContact O-CB 3.48Å; L419-R422 WeakPolarHBondContact O-CD 3.43Å; L419-R422 WeakPolarHBondContact O-CG 3.38Å; L419-R422 PolarHBondContact O-N 3.41Å; L419-R422 PolarHBondContact O-NH1 3.47Å; D420-R422 VanDerWaalsContact C-N 3.34Å; D420-R422 PolarHBondContact O-N 3.22Å
423H93.3Very high92.1Very high60 Ų6062.5 Ų62.528%0.27829%0.294SS..THydrogen-bonded Turntrans-85.6-17.8178-62.5-66.8000113.5V337 H338 E339 K340 E421V337-H423 PolarHBondContact O-CE1 3.1Å; H338-H423 VanDerWaalsContact CA-CE1 3.45Å; H338-H423 WeakPolarHBondContact CA-CE1 3.41Å; H338-H423 PolarHBondContact O-CE1 3.07Å; E339-H423 PolarHBondContact N-CE1 3.02Å; E339-H423 PolarHBondContact O-CE1 3.12Å; E339-H423 PolarHBondContact O-NE2 3.39Å; E339-H423 VanDerWaalsContact O-NE2 3.13Å; K340-H423 VanDerWaalsContact CA-NE2 3.35Å; K340-H423 WeakPolarHBondContact CA-NE2 3.41Å; K340-H423 PolarHBondContact N-CE1 2.97Å; K340-H423 VanDerWaalsContact N-CE1 3.32Å; E421-H423 PolarHBondContact O-N 2.74Å
424G91.1Very high90.6Very high36 Ų3660.5 Ų60.537%0.37128%0.279SS..THydrogen-bonded Turntrans-87-26.7171.700000113.6E421 R426E421-G424 PolarHBondContact O-N 3.02Å; G424-R426 PolarHBondContact O-N 3.27Å
425I95.4Very high88.8Confident0 Ų062 Ų620%029%0.287CS..  trans-63.3117.7-176.4-69.3171.9000111.5L364 F365 R368 I396 G397 I398 I418 E421L364-I425 HydrophobicContact CD2-CD1 3.79Å; L364-I425 HydrophobicContact CG-CG2 4.5Å; F365-I425 HydrophobicContact CD1-CG2 4.24Å; F365-I425 HydrophobicContact CE1-CD1 4.34Å; F365-I425 HydrophobicContact CE1-CG2 4.18Å; R368-I425 VanDerWaalsContact CD-O 3.3Å; R368-I425 WeakPolarHBondContact CD-O 3.44Å; R368-I425 HydrophobicContact CG-CG2 4.43Å; R368-I425 WeakPolarHBondContact CG-O 3.48Å; R368-I425 PolarHBondContact NE-O 3.23Å; I396-I425 VanDerWaalsContact O-CA 3.3Å; I396-I425 WeakPolarHBondContact O-CA 3.3Å; G397-I425 WeakPolarHBondContact O-CG1 3.46Å; I398-I425 HydrophobicContact CG1-CD1 4.29Å; I398-I425 HydrophobicContact CG1-CG1 4.18Å; I418-I425 HydrophobicContact CG2-CD1 3.69Å; I418-I425 VanDerWaalsContact O-CD1 3.28Å; I418-I425 WeakPolarHBondContact O-CD1 3.4Å; E421-I425 PolarHBondContact O-N 3.35Å
426R94.1Very high87Confident142 Ų14271 Ų7154%0.53632%0.321SS..EExtended strand (participates in β ladder)trans-141.8149.3176.6-67.6-178.7-67.3-177.42.4111.3I395 I396 G424I395-R426 WeakPolarHBondContact CA-O 3.32Å; I396-R426 PolarHBondContact N-O 3.08Å; I396-R426 PolarHBondContact O-N 2.85Å; G424-R426 PolarHBondContact O-N 3.27Å
427F95.4Very high85.1Confident11 Ų1174 Ų745%0.04834%0.338CS..EExtended strand (participates in β ladder)trans-103.8147.2172.1-68.8-108000109.5F365 R368 Y369 A372 V381 V393 E394 I395 F404F365-F427 HydrophobicContact CB-CE2 4.47Å; F365-F427 HydrophobicContact CB-CZ 4.27Å; F365-F427 HydrophobicContact CD1-CE2 4.24Å; F365-F427 HydrophobicContact CD1-CZ 4.22Å; F365-F427 HydrophobicContact CG-CZ 4.42Å; R368-F427 HydrophobicContact CB-CD2 3.63Å; R368-F427 HydrophobicContact CB-CE2 3.91Å; Y369-F427 AromaticContact CD2-CD1 3.87Å; Y369-F427 HydrophobicContact CD2-CD1 3.87Å; Y369-F427 HydrophobicContact CD2-CE1 4.31Å; Y369-F427 HydrophobicContact CD2-CG 4.28Å; A372-F427 HydrophobicContact CB-CB 3.68Å; A372-F427 VanDerWaalsContact CB-O 3.26Å; A372-F427 WeakPolarHBondContact CB-O 3.37Å; V381-F427 HydrophobicContact CG1-CE1 4.19Å; V381-F427 HydrophobicContact CG2-CZ 4.35Å; V393-F427 HydrophobicContact CG1-CB 4.47Å; V393-F427 HydrophobicContact CG1-CD1 3.85Å; E394-F427 CarbonylContact O-C 3.59Å; E394-F427 WeakPolarHBondContact O-CA 3.43Å; I395-F427 HydrophobicContact CD1-CD1 3.95Å; I395-F427 HydrophobicContact CD1-CE1 3.52Å; I395-F427 HydrophobicContact CD1-CZ 4.27Å; I395-F427 HydrophobicContact CG1-CD1 3.72Å; I395-F427 HydrophobicContact CG1-CE1 3.83Å; I395-F427 HydrophobicContact CG1-CG 4.48Å; I395-F427 HydrophobicContact CG2-CD1 4.35Å; I395-F427 HydrophobicContact CG2-CE1 4.25Å; I395-F427 HydrophobicContact CG2-CE2 4.42Å; I395-F427 HydrophobicContact CG2-CG 4.49Å; I395-F427 HydrophobicContact CG2-CZ 4.29Å; F404-F427 HydrophobicContact CE1-CE1 4.32Å; F404-F427 HydrophobicContact CE2-CE1 4.22Å; F404-F427 AromaticContact CE2-CZ 3.88Å; F404-F427 HydrophobicContact CE2-CZ 3.88Å; F404-F427 AromaticContact CZ-CE1 3.72Å; F404-F427 HydrophobicContact CZ-CE1 3.72Å; F404-F427 AromaticContact CZ-CZ 3.73Å; F404-F427 HydrophobicContact CZ-CZ 3.73Å
428I93.2Very high83Confident73 Ų7370 Ų7037%0.37433%0.325SS..EExtended strand (participates in β ladder)trans-131.7116.2174.7-60.7-179.3000108.1V393 E394 I396 K430V393-I428 WeakPolarHBondContact CA-O 2.97Å; E394-I428 HydrophobicContact CB-CB 4.3Å; E394-I428 PolarHBondContact N-O 3.03Å; E394-I428 PolarHBondContact O-N 3.49Å; I396-I428 HydrophobicContact CD1-CD1 3.61Å; I396-I428 HydrophobicContact CG1-CD1 4.44Å; I428-K430 HydrophobicContact CG2-CG 4.4Å; I428-K430 PolarHBondContact O-N 2.94Å
429I92.8Very high80.8Confident41 Ų4174.7 Ų74.721%0.2135%0.354CS..EExtended strand (participates in β ladder)trans-8999.9-179.2-58.3-177.7000108.5Y369 A372 L373 V393Y369-I429 HydrophobicContact CE2-CD1 4.23Å; A372-I429 HydrophobicContact CB-CD1 4.35Å; A372-I429 HydrophobicContact CB-CG1 4.24Å; A372-I429 WeakPolarHBondContact O-CD1 3.26Å; L373-I429 HydrophobicContact CD2-CD1 3.39Å; L373-I429 HydrophobicContact CG-CD1 3.61Å; V393-I429 HydrophobicContact CG2-CG1 4.38Å
430K89.4Confident78.4Confident122 Ų12278.1 Ų78.153%0.5338%0.382SS..SBendtrans-74.6-27.4179.5-69.5-176.2174.9176.20112.3A392 E394 I428A392-K430 PolarHBondContact O-N 3.31Å; E394-K430 HydrophobicContact CB-CD 4.33Å; E394-K430 VanDerWaalsContact CD-CE 3.49Å; E394-K430 IonicContact OE1-NZ 3.72Å; E394-K430 PolarHBondContact OE1-NZ 3.43Å; E394-K430 WeakPolarHBondContact OE2-CE 3.33Å; E394-K430 IonicContact OE2-NZ 2.74Å; E394-K430 PolarHBondContact OE2-NZ 2.98Å; I428-K430 HydrophobicContact CG2-CG 4.4Å; I428-K430 PolarHBondContact O-N 2.94Å
431R83.7Confident76Confident110 Ų11079 Ų7942%0.41540%0.399SS..SBendtrans-166.3158170.751.8177.8175.372.16.8111.5D389 A392D389-R431 VanDerWaalsContact CG-NH2 3.28Å; D389-R431 IonicContact OD1-CZ 2.77Å; D389-R431 IonicContact OD1-NH1 3.64Å; D389-R431 IonicContact OD1-NH2 2.67Å; D389-R431 PolarHBondContact OD1-NH2 3.35Å; D389-R431 IonicContact OD2-CZ 2.74Å; D389-R431 VanDerWaalsContact OD2-CZ 3.31Å; D389-R431 IonicContact OD2-NH1 2.81Å; D389-R431 PolarHBondContact OD2-NH1 3.25Å; D389-R431 IonicContact OD2-NH2 3.93Å; D389-R431 PolarHBondContact OD2-NH2 3Å; A392-R431 HydrophobicContact CB-CG 4.36Å; A392-R431 PolarHBondContact O-N 3.16Å
432M81.4Confident73.3Confident144 Ų14477.9 Ų77.971%0.70941%0.411SS*.  trans-64.9153.9172.9-66.1-65.3171.500112.1D434M432-D434 PolarHBondContact O-N 2.85Å
433F80.5Confident70.5Confident31 Ų3186.5 Ų86.514%0.13645%0.449CS..  trans-76.6111.7175-63.7-71.9000111.2P382 K385 I386 A392 V393 E435 F438P382-F433 HydrophobicContact CG-CE2 3.81Å; P382-F433 HydrophobicContact CG-CZ 4.28Å; K385-F433 HydrophobicContact CB-CD1 3.72Å; K385-F433 HydrophobicContact CB-CD2 4.21Å; K385-F433 HydrophobicContact CB-CE1 3.62Å; K385-F433 HydrophobicContact CB-CE2 4.14Å; K385-F433 HydrophobicContact CB-CG 4.01Å; K385-F433 HydrophobicContact CB-CZ 3.85Å; K385-F433 HydrophobicContact CD-CB 3.92Å; K385-F433 HydrophobicContact CD-CD1 4.35Å; K385-F433 HydrophobicContact CD-CD2 3.9Å; K385-F433 HydrophobicContact CD-CG 3.81Å; I386-F433 HydrophobicContact CG1-CE1 4.43Å; I386-F433 HydrophobicContact CG1-CZ 3.73Å; A392-F433 HydrophobicContact CB-CD1 3.86Å; A392-F433 HydrophobicContact CB-CE1 3.62Å; A392-F433 HydrophobicContact CB-CZ 4.33Å; V393-F433 HydrophobicContact CG2-CE1 4.37Å; V393-F433 HydrophobicContact CG2-CE2 4.12Å; V393-F433 HydrophobicContact CG2-CZ 3.61Å; F433-E435 PolarHBondContact O-N 3.47Å; F433-F438 HydrophobicContact CB-CE2 4.21Å
434D61.2Low67.6Low53 Ų5391.3 Ų91.328%0.28348%0.475SS..  trans-72.3117.8177.1-171.3-25.7000111.6M432 R436 I437 F438M432-D434 PolarHBondContact O-N 2.85Å; D434-R436 PolarHBondContact O-N 2.64Å; D434-R436 WeakPolarHBondContact OD1-CB 3.19Å; D434-R436 VanDerWaalsContact OD1-CG 3.28Å; D434-R436 WeakPolarHBondContact OD1-CG 3.43Å; D434-R436 IonicContact OD1-CZ 2.72Å; D434-R436 PolarHBondContact OD1-N 2.96Å; D434-R436 IonicContact OD1-NE 2.67Å; D434-R436 PolarHBondContact OD1-NE 3.05Å; D434-R436 IonicContact OD1-NH2 2.73Å; D434-R436 IonicContact OD2-CZ 3.28Å; D434-R436 VanDerWaalsContact OD2-CZ 3.27Å; D434-R436 IonicContact OD2-NE 2.72Å; D434-R436 PolarHBondContact OD2-NE 3.28Å; D434-R436 IonicContact OD2-NH2 3.18Å; D434-R436 PolarHBondContact OD2-NH2 2.91Å; D434-I437 HydrophobicContact CB-CD1 4.03Å; D434-I437 HydrophobicContact CB-CG1 4.19Å; D434-I437 PolarHBondContact O-N 2.94Å; D434-F438 WeakPolarHBondContact O-CD2 3.25Å
435E57.4Low64.6Low131 Ų13196 Ų9661%0.61250%0.496SS*.Hα-helixtrans-68.5-18.8-176.4-53.6-143.8119.800113.6K385 F433 I437 F438 T439K385-E435 IonicContact NZ-OE1 3.88Å; K385-E435 PolarHBondContact NZ-OE1 2.93Å; F433-E435 PolarHBondContact O-N 3.47Å; E435-I437 VanDerWaalsContact C-N 3.3Å; E435-I437 PolarHBondContact O-N 2.57Å; E435-F438 PolarHBondContact O-N 3.32Å; E435-T439 PolarHBondContact O-N 3.37Å; E435-T439 PolarHBondContact O-OG1 3.37Å
436R56.6Low61.4Low189 Ų189105.3 Ų105.371%0.71353%0.531SS*.Hα-helixtrans-64.3-36.4176.8-61.5175.9-71.2-170.11.5111.4D434 F438 T439 A440D434-R436 PolarHBondContact O-N 2.64Å; D434-R436 WeakPolarHBondContact OD1-CB 3.19Å; D434-R436 VanDerWaalsContact OD1-CG 3.28Å; D434-R436 WeakPolarHBondContact OD1-CG 3.43Å; D434-R436 IonicContact OD1-CZ 2.72Å; D434-R436 PolarHBondContact OD1-N 2.96Å; D434-R436 IonicContact OD1-NE 2.67Å; D434-R436 PolarHBondContact OD1-NE 3.05Å; D434-R436 IonicContact OD1-NH2 2.73Å; D434-R436 IonicContact OD2-CZ 3.28Å; D434-R436 VanDerWaalsContact OD2-CZ 3.27Å; D434-R436 IonicContact OD2-NE 2.72Å; D434-R436 PolarHBondContact OD2-NE 3.28Å; D434-R436 IonicContact OD2-NH2 3.18Å; D434-R436 PolarHBondContact OD2-NH2 2.91Å; R436-F438 PolarHBondContact O-N 3.16Å; R436-T439 PolarHBondContact O-N 3.17Å; R436-A440 WeakPolarHBondContact O-CB 3.26Å; R436-A440 PolarHBondContact O-N 3.11Å
437I56.1Low58.2Low97 Ų97107.8 Ų107.850%0.49755%0.549SS..Hα-helixtrans-62.6-43.8177.6-55.1176000110.4D434 E435D434-I437 HydrophobicContact CB-CD1 4.03Å; D434-I437 HydrophobicContact CB-CG1 4.19Å; D434-I437 PolarHBondContact O-N 2.94Å; E435-I437 VanDerWaalsContact C-N 3.3Å; E435-I437 PolarHBondContact O-N 2.57Å
438F51.3Low55Low70 Ų70114.1 Ų114.131%0.30758%0.579SS.*Hα-helixtrans-75-24.9-179.1-62-79.4000113.2K385 C388 F433 D434 E435 R436K385-F438 HydrophobicContact CB-CE1 4.39Å; K385-F438 HydrophobicContact CB-CZ 3.94Å; K385-F438 HydrophobicContact CD-CE2 4.32Å; K385-F438 HydrophobicContact CD-CZ 4.34Å; K385-F438 HydrophobicContact CG-CE1 4.14Å; K385-F438 HydrophobicContact CG-CE2 4.36Å; K385-F438 HydrophobicContact CG-CZ 3.89Å; C388-F438 HydrophobicContact CB-CE1 4.03Å; F433-F438 HydrophobicContact CB-CE2 4.21Å; D434-F438 WeakPolarHBondContact O-CD2 3.25Å; E435-F438 PolarHBondContact O-N 3.32Å; R436-F438 PolarHBondContact O-N 3.16Å
439T48.8Very low51.9Low98 Ų98114.4 Ų114.460%0.60160%0.599SS**Hα-helixtrans-82.4-40.8178.4-53.70000112.1E435 R436 A441 G442E435-T439 PolarHBondContact O-N 3.37Å; E435-T439 PolarHBondContact O-OG1 3.37Å; R436-T439 PolarHBondContact O-N 3.17Å; T439-A441 VanDerWaalsContact C-N 3.31Å; T439-A441 PolarHBondContact O-N 3.02Å; T439-G442 PolarHBondContact O-N 2.97Å
440A43.7Very low48.8Very low71 Ų71122.6 Ų122.659%0.58763%0.633SS**Hα-helixtrans-60.7-38.3179.100000112.6R436 G442 K443R436-A440 WeakPolarHBondContact O-CB 3.26Å; R436-A440 PolarHBondContact O-N 3.11Å; A440-G442 PolarHBondContact O-N 3.03Å; A440-G442 VanDerWaalsContact O-N 3.07Å; A440-K443 PolarHBondContact O-N 2.99Å
441A42.9Very low45.8Very low93 Ų93124.3 Ų124.377%0.76965%0.647SS**THydrogen-bonded Turntrans-63.9-10.5176.300000114.5T439T439-A441 VanDerWaalsContact C-N 3.31Å; T439-A441 PolarHBondContact O-N 3.02Å
442G37.6Very low42.9Very low64 Ų64126.1 Ų126.166%0.6667%0.665SS**THydrogen-bonded Turntrans-97.6-9.1-179.500000115.7T439 A440T439-G442 PolarHBondContact O-N 2.97Å; A440-G442 PolarHBondContact O-N 3.03Å; A440-G442 VanDerWaalsContact O-N 3.07Å
443K33.8Very low40.8Very low180 Ų180124.7 Ų124.778%0.78367%0.667SS**  trans-136.581.5-175.8-73.1-169.9176.9-175.60112.8A440A440-K443 PolarHBondContact O-N 2.99Å
444I33.3Very low38Very low162 Ų162126.8 Ų126.883%0.83170%0.697SS**  trans-101.698.515148.7164.8000109R446I444-R446 PolarHBondContact O-N 3.35Å
445V27.2Very low36.2Very low134 Ų134130.9 Ų130.981%0.81273%0.728SS**  trans-68.3127.5162170.70000106.8
446R28.4Very low34.7Very low196 Ų196128.7 Ų128.774%0.7473%0.733SS**  trans-82.1118.8164.8-71.4173.688.9-179.74.7107.6I444 E448I444-R446 PolarHBondContact O-N 3.35Å; R446-E448 IonicContact CZ-OE2 2.64Å; R446-E448 IonicContact NE-OE2 2.75Å; R446-E448 PolarHBondContact NE-OE2 3.3Å; R446-E448 IonicContact NH2-OE2 3.64Å; R446-E448 PolarHBondContact NH2-OE2 2.88Å
447E27.8Very low33.7Very low193 Ų193124.8 Ų124.890%0.90273%0.732SS**  trans-111.8139.2139.9-161178.1-167.300106.7
448E27.6Very low32.2Very low145 Ų145128.5 Ų128.568%0.67875%0.747SS**  trans-151.6105.9-172.4-170.6173.3-179.300111.1R446R446-E448 IonicContact CZ-OE2 2.64Å; R446-E448 IonicContact NE-OE2 2.75Å; R446-E448 PolarHBondContact NE-OE2 3.3Å; R446-E448 IonicContact NH2-OE2 3.64Å; R446-E448 PolarHBondContact NH2-OE2 2.88Å
449G29.2Very low31Very low78 Ų78133 Ų13380%0.80477%0.774SS**  trans109.1108.214500000119
450K26Very low29.8Very low213 Ų213131.9 Ų131.993%0.92678%0.783SS**  -147.4161124.2-134.8173.8-179.3-178.70111.2
451L28.3Very low28.7Very low159 Ų159138.5 Ų138.583%0.83280%0.798SS**  trans-103.8135.8-165.5-66.8165.6000109.4
452D22.1Very low27.8Very low147 Ų147138.7 Ų138.779%0.78679%0.794SS**  77.8147.978.5-159.145.7000112.5
453P37.5Very low27Very low114 Ų114141.8 Ų141.874%0.7480%0.795SS**  cis-126.5-178.2-7.741.4-26.8000114.6
454G21.8Very low26.5Very low75 Ų75138.1 Ų138.177%0.77379%0.792SS**  trans159116.8156.600000119.9
455C23.2Very low26.1Very low139 Ų139138.4 Ų138.494%0.93979%0.794SS**  trans24132.4153.6-106.50000124.3
456A24.7Very low26Very low86 Ų86135.4 Ų135.471%0.71179%0.79SS**  trans-90.5174.4140.100000108.8
457P36.3Very low25.9Very low107 Ų107135.5 Ų135.570%0.69580%0.797SS**  cis-137178.435.637.3-16000116.3
458E23.8Very low26.3Very low174 Ų174131.2 Ų131.281%0.81379%0.785SS**  164.3153.5120.9-84.3-57.89300111.8
459D26.1Very low26.8Very low165 Ų165129.3 Ų129.388%0.88279%0.785SS**  trans-90.6163.5-176.3-88.4-59.6000114.2
460G23.5Very low26.7Very low75 Ų75132.1 Ų132.177%0.77379%0.787SS**  trans171.988.5169.600000117.2
461F21.7Very low26.8Very low209 Ų209126.2 Ų126.292%0.91778%0.778SS**  trans-93132.9162.8-89.5-102.8000110.6
462S23.5Very low26.8Very low97 Ų97122.2 Ų122.268%0.67877%0.768SS**  167.7144.8103-1170000115
463D21.9Very low27Very low129 Ų129123.4 Ų123.469%0.6977%0.769SS**  trans54.5107.2144-66.2-68.4000124.5
464C22.1Very low26.5Very low104 Ų104123.8 Ų123.870%0.70376%0.764SS**  48120.6109.2-54.80000120.6
465L26.4Very low26.6Very low167 Ų167127.2 Ų127.287%0.87476%0.764SS**  -179.3139.599.8-94170.5000112.4
466G24.2Very low26.6Very low72 Ų72124.5 Ų124.574%0.74275%0.746SS**  trans159.6111.1174.900000112.2
467F25.5Very low26.6Very low198 Ų198127.8 Ų127.887%0.86875%0.752SS**  trans-90.1140.4-165.8-103.8-111000114.8
468P37.2Very low26.1Very low103 Ų103125.7 Ų125.767%0.66974%0.744SS**  trans-86.5178.7160.739.6-36000110.9
469P38.7Very low26.3Very low104 Ų104126.2 Ų126.268%0.67575%0.746SS**  -154.7160.199.739.8-22.5000117.3
470T26.2Very low26.2Very low137 Ų137123.1 Ų123.184%0.8474%0.737SS**  trans64.2157.4146.846.90000119.9
471A29Very low26.6Very low89 Ų89124.7 Ų124.774%0.73674%0.736SS**  cis-170.6167.4-6.900000107.6
472A28.2Very low26.9Very low76 Ų76126.8 Ų126.863%0.62874%0.738SS**  cis-171.9149.6-16.900000108.7
473E26Very low27.1Very low172 Ų172127.3 Ų127.380%0.80474%0.742SS**  trans58.8156.2136.1-63.8-170.2141.200121.5
474L27.5Very low27.3Very low121 Ų121127.7 Ų127.763%0.63475%0.749SS**  cis-167.2166-11.3-114.1174.7000111.8
475L23.2Very low27.6Very low147 Ų147127.8 Ų127.877%0.7775%0.751SS**  trans62.4164.2153-63.7163.3000120.2
476S22.4Very low27.6Very low82 Ų82124.4 Ų124.457%0.57375%0.747SS**  cis-175.1146.8-43.960.30000112.3
477N24.4Very low27.6Very low156 Ų156126.8 Ų126.883%0.83475%0.751SS**  trans62.9158.8150.2-75.81.2000120.4
478A27.2Very low27.5Very low63 Ų63123.9 Ų123.952%0.52175%0.749SS.*  cis-171-174.5-21.300000110.8
479H27Very low26.9Very low184 Ų184124.1 Ų124.185%0.85275%0.754SS**  trans81.7147.1159.5-53.4-44.1000118.1
480S25.3Very low26.7Very low101 Ų101124.7 Ų124.771%0.70676%0.757SS**  cis-162.7144.2-12.8-177.60000114.1
481S31.5Very low26.5Very low107 Ų107127.1 Ų127.175%0.74876%0.759SS**  trans32.3131.4144.6-41.80000124.9
482R28.3Very low26.4Very low253 Ų253126.9 Ų126.996%0.95576%0.757SS**  -166.3172.8118.6-117.8-178.3-179.7-177.31.1114
483S26.3Very low26.3Very low108 Ų108130.7 Ų130.776%0.75577%0.766SS**  trans-123.2153.1-170.9-300000112.9
484T27.5Very low26.2Very low137 Ų137127.5 Ų127.584%0.8476%0.763SS**  trans-168.2138.1148.213.80000115.9
485S27.3Very low26.1Very low106 Ų106130.2 Ų130.274%0.74177%0.773SS**  trans47.9146.5138.169.90000126
486A26Very low26.3Very low97 Ų97127.9 Ų127.980%0.80278%0.775SS**  trans87.3165143.300000119.6
487C25.4Very low26.4Very low122 Ų122127.4 Ų127.482%0.82478%0.783SS**  trans-134-178.4-158.7-56.40000112
488V22.8Very low27.1Very low137 Ų137125.9 Ų125.983%0.8378%0.781SS**  trans91.396.5170.3-171.40000115.1
489S24.8Very low26.9Very low108 Ų108128.9 Ų128.976%0.75580%0.798SS**  trans-72.8154.9146.9-35.80000108.8
490P33.6Very low26.9Very low115 Ų115123.2 Ų123.275%0.74779%0.79SS**  -146.4151.47438.7-22.1000115.9
491Q22.6Very low26.8Very low189 Ų189126.8 Ų126.888%0.88380%0.801SS**  trans-147138.8146-162.77816.900106.4
492A26.3Very low26.5Very low83 Ų83124.7 Ų124.769%0.68680%0.797SS**  trans-114.3163168.900000109.1
493D26.3Very low26.2Very low156 Ų156117.2 Ų117.283%0.83479%0.789SS**  trans-69179.5-159.1-56.1-92.2000117.5
494S24.8Very low26.7Very low106 Ų106117.2 Ų117.274%0.74179%0.786SS**  trans80.3135.2168.7-67.90000117.1
495E24.8Very low26.7Very low178 Ų178117.2 Ų117.283%0.83278%0.78SS**  cis-155.5174.20.3-140.7173.5102.500113.1
496A27.7Very low26.7Very low98 Ų98122.1 Ų122.181%0.8178%0.782SS**  trans70.1135.7166.800000120
497G25.1Very low26.9Very low72 Ų72128.1 Ų128.174%0.74278%0.784SS**  trans-109.6-150.7163.400000110.9
498P37.6Very low27Very low124 Ų124129.4 Ų129.481%0.80578%0.781SS**  cis-140.7-178.3943.7-26.3000116.8
499S24.5Very low27.1Very low125 Ų125132 Ų13287%0.87478%0.782SS**  trans78.9157.6150.7-1500000120.6
500G26.6Very low27.3Very low66 Ų66133 Ų13368%0.6878%0.784SS**  trans82.895.9-179.800000113.3
501D23.9Very low27Very low176 Ų176136 Ų13694%0.94179%0.787SS**  71.5143.850.8-160.722.4000114.7
502G24.4Very low28.5Very low63 Ų63131.7 Ų131.765%0.64978%0.776SS**  trans91.386.6168.700000118.4
503A22.6Very low29.5Very low96 Ų96132.7 Ų132.779%0.79378%0.776SS**  trans-74.717714000000109
504P35.6Very low29.6Very low107 Ų107133 Ų13370%0.69578%0.777SS**  cis-143.6-169.410.834-9.2000115.5
505L27.2Very low29.8Very low137 Ų137131.6 Ų131.672%0.71778%0.78SS**  162.9111.4115.6-85.1175.4000117.3
506R28.1Very low30Very low209 Ų209130.6 Ų130.679%0.78978%0.78SS**  trans22.5109.6132.8-51.6179.1-170179.93.1121.4
507R30.4Very low30.3Very low223 Ų223132.2 Ų132.284%0.84277%0.774SS**  173.5127.6107.1-94.1163.2-79.7-165.2-0.9109.6
508I27.7Very low30.4Very low149 Ų149135 Ų13576%0.76477%0.77SS**  70.1106.269.5-63.7171.8000113.1
509K24Very low29.8Very low193 Ų193137.2 Ų137.284%0.83977%0.77SS**  trans63.9148.4155.7-111.9167.7174.1176.60116.4
510T30.3Very low29.9Very low129 Ų129137 Ų13779%0.79176%0.763SS**  cis-141.9-174.620.5-44.10000111.6
511E27.2Very low29.8Very low176 Ų176139.6 Ų139.682%0.82277%0.766SS**  trans-95.5-156.8-167.2-142.1-165.7146.800112.6
512P53.5Low29.9Very low100 Ų100137.1 Ų137.165%0.64976%0.757SS**  trans-112.8-147.1-135.744.3-24000111
513P46.3Very low30.6Very low104 Ų104139.9 Ų139.968%0.67576%0.763SS**  cis-134.5-171.9-12.640.5-21.1000115.4
514D28.5Very low30.8Very low162 Ų162142.7 Ų142.787%0.86677%0.765SS**  trans26.1132.3149.3-56.1-36.7000122
515G29.9Very low30.3Very low77 Ų77142.2 Ų142.279%0.79477%0.77SS**  trans179.444.5175.900000120.6
516D29.8Very low30.2Very low156 Ų156138.4 Ų138.483%0.83476%0.764SS**  trans56.1162.2140.6-118.5-27.6000125.1
517I33Very low30.2Very low133 Ų133135.2 Ų135.268%0.68277%0.768SS**  trans81.7101.3150.3-71.3164.7000122.6
518I28.1Very low29.8Very low131 Ų131130.8 Ų130.867%0.67277%0.771SS**  80105.2125.7-65.6-177.1000123.6
519Q24.9Very low29.7Very low169 Ų169126.7 Ų126.779%0.7977%0.765SS**  trans73.6162.1130.3-65.6-179.621.500125.3
520V25.2Very low29.7Very low121 Ų121127 Ų12773%0.73377%0.77SS**  trans102.187.8154.9-166.70000119
521T24.3Very low29.5Very low120 Ų120128.4 Ų128.474%0.73677%0.772SS**  trans68.3106.1130.9-48.80000119.2
522V26.5Very low30.5Very low125 Ų125124.9 Ų124.976%0.75877%0.765SS**  55.114080.7-179.80000113.3
523P40.2Very low29.3Very low120 Ų120126.2 Ų126.278%0.77977%0.771SS**  cis-122.3-160.78.717.210000113.3
524D25.8Very low28.3Very low156 Ų156130.2 Ų130.283%0.83478%0.78SS**  cis160173.3-37.2-165.212.9000109.5
525A26.1Very low28.2Very low96 Ų96128 Ų12879%0.79378%0.776SS**  trans75.7141.8178.400000117.4
526G24.5Very low28Very low58 Ų58132.8 Ų132.860%0.59878%0.783SS**  cis-162.5149.5-4.700000111.2
527T26.9Very low27.9Very low142 Ų142129 Ų12987%0.87178%0.78SS**  95.6124.28552.70000115.8
528S23.5Very low27.7Very low130 Ų130132.4 Ų132.491%0.90979%0.793SS**  trans66.8153.3165-125.80000118.7
529G25.3Very low27.7Very low62 Ų62130.5 Ų130.564%0.63980%0.797SS**  cis167.1153.5-11.200000114.4
530E24.5Very low27.8Very low201 Ų201129.8 Ų129.894%0.93980%0.797SS**  trans71.8173156.3-51.2-169.9137.800121
531D25.9Very low28Very low157 Ų157129.4 Ų129.484%0.8480%0.8SS**  trans-128.4-172.3-156.1-109.7-47.3000109.9
532P48Very low28.2Very low102 Ų102128.6 Ų128.666%0.66281%0.805SS**  cis-143.6-175-30.736.3-13.8000116.3
533V27.5Very low28.5Very low129 Ų129127.1 Ų127.178%0.78281%0.806SS**  trans58.3142.9157.3-127.10000126.1
534E26.2Very low28.5Very low187 Ų187127.3 Ų127.387%0.87481%0.807SS**  trans94.5171.8141.1-113.3171.8162.500122.9
535C24.9Very low28.5Very low116 Ų116125.6 Ų125.678%0.78481%0.806SS**  -148.4150.2-129.9-161.90000118.2
536L27.2Very low29.5Very low178 Ų178126.2 Ų126.293%0.93280%0.802SS**  trans72.1127.5156-148.975.4000121.2
537G26.9Very low29.5Very low75 Ų75129.5 Ų129.577%0.77381%0.811SS**  trans161.6140166.800000113.3
538E28.2Very low29.5Very low206 Ų206129.3 Ų129.396%0.96381%0.81SS**  trans-104.2171.7-169.9-82.6-174.586.900116.6
539A28.8Very low29.9Very low90 Ų90126.9 Ų126.974%0.74480%0.798SS**  trans-58.9172.2-168.400000116.4
540I27.9Very low30Very low154 Ų154129.5 Ų129.579%0.7981%0.806SS**  cis-154.5144.148-69.3173.4000112.9
541S28.8Very low31.5Very low114 Ų114125.3 Ų125.380%0.79780%0.796SS**  trans18.7148.8155.3-49.90000122.7
542A27.7Very low31.7Very low103 Ų103123.7 Ų123.785%0.85180%0.797SS**  cis-152.2178.616.600000114.1
543A32.5Very low31.1Very low94 Ų94123.2 Ų123.278%0.77780%0.802SS**  trans-91.7175.9-177.100000113.7
544P40.3Very low32.7Very low123 Ų123122.7 Ų122.780%0.79980%0.801SS**  cis-134.8-176.78.243.2-24.7000117.3
545C27.4Very low33.9Very low121 Ų121119.9 Ų119.982%0.81880%0.799SS**  trans-81.7-179.3178.8-500000113.2
546P46.4Very low34Very low109 Ų109119.2 Ų119.271%0.70880%0.802SS**  cis-148.3-169.512.243.7-21.7000119.4
547T24.8Very low34.3Very low127 Ų127115.2 Ų115.278%0.77980%0.795SS**  trans82.7148.2149.840.60000124.8
548T26.7Very low35.2Very low138 Ų138117.6 Ų117.685%0.84780%0.796SS**  trans98145.2159-35.70000118.1
549A31.9Very low35.3Very low79 Ų79112.4 Ų112.465%0.65379%0.788SS**  -171.6147.1-52.300000113.6
550S28.1Very low36.8Very low116 Ų116114 Ų11481%0.81179%0.791SS**  trans62.5-179.5151.6-57.60000119.1
551P54.4Low37.4Very low113 Ų113113 Ų11373%0.73480%0.795SS**  cis-138.8163.5-2.640.8-22000119.8
552S30.5Very low37.4Very low123 Ų123111.9 Ų111.986%0.8679%0.792SS**  trans61156.4139.1-66.90000123.7
553A36.3Very low38.7Very low92 Ų92112.8 Ų112.876%0.7679%0.79SS**  cis-167.8173.4-10.800000111.9
554P60.4Low39.1Very low118 Ų118114.3 Ų114.377%0.76679%0.792SS**  trans-121.3-173.3-15845.5-35.5000117.5
555P50.8Low38.4Very low129 Ų129112.5 Ų112.584%0.83879%0.787SS**  -142177.1116.330.4-12000113.3
556A28.8Very low38.9Very low102 Ų102111.5 Ų111.584%0.84378%0.779SS**  cis-166.9-177.9-21.900000110
557A33.5Very low38Very low94 Ų94114.1 Ų114.178%0.77778%0.781SS**  trans-149.9173177.200000111.1
558P45.2Very low38.2Very low124 Ų124115.6 Ų115.681%0.80578%0.779SS**  -162164.480.142.6-21000120.9
559A30.5Very low38.7Very low97 Ų97114.4 Ų114.480%0.80277%0.774SS**  trans53.7138.1142.600000125.3
560P59.8Low38.5Very low123 Ų123117.7 Ų117.780%0.79977%0.773SS**  trans-121.3164.2178.843.4-34.2000117.8
561P40.9Very low38.5Very low133 Ų133120.9 Ų120.986%0.86478%0.775SS**  trans-133.8-163.5157.140.7-26.2000115.1
562A27.5Very low37.2Very low91 Ų91119.7 Ų119.775%0.75276%0.763SS**  trans-143.5-171.4-179.500000110.6
563P56.4Low37.3Very low122 Ų122120.8 Ų120.879%0.79275%0.754SS**  cis-115-137.4-26.240.7-22.8000109.7
564P39.4Very low36.9Very low127 Ų127121 Ų12183%0.82575%0.75SS**  cis-132.6-80.6-16.432.9-8.9000119.2
565A25.8Very low35.5Very low84 Ų84119 Ų11969%0.69474%0.744SS**  trans-158.6-179.5-15500000112.2
566P39.8Very low34.4Very low101 Ų101121.3 Ų121.366%0.65674%0.743SS**  cis-147.9-17611.846.9-26.9000119.9
567H27.2Very low34.3Very low163 Ų163120.1 Ų120.176%0.75573%0.734SS**  trans68.9110.8149.5-62-39.3000125.4
568H28.2Very low34.1Very low159 Ų159120.5 Ų120.574%0.73673%0.731SS**  48.8164.5116.6-72.6-47.1000123.4
569P37.3Very low33.4Very low112 Ų112120.3 Ų120.373%0.72773%0.732SS**  cis-114.3159.612.55.321.8000116.1
570K28.6Very low34Very low149 Ų149121.3 Ų121.365%0.64873%0.73SS**  64.3144.585.9-56.6-173.3172.8-177.40114.4N572K570-N572 WeakPolarHBondContact CG-OD1 3.33Å
571E26.4Very low32.3Very low182 Ų182121.7 Ų121.785%0.8574%0.736SS**  cis-106.6137.921.1-73.8178.7103.600113.8
572N28.5Very low31.4Very low89 Ų89119.2 Ų119.248%0.47673%0.734SS.*  78.9132.561.5-60.33.3000113.5K570K570-N572 WeakPolarHBondContact CG-OD1 3.33Å
573H32Very low31.5Very low146 Ų146119.5 Ų119.568%0.67674%0.737SS**  cis-164.6138.7-15.9-114.5-52.1000112.1
574S27.6Very low30.6Very low95 Ų95119.2 Ų119.266%0.66474%0.735SS**  trans53.6161.2135-57.30000121.7
575A30.3Very low30.4Very low77 Ų77122.1 Ų122.164%0.63674%0.738SS**  cis-143.6140.75.500000109.9
576E29.1Very low30.6Very low177 Ų177122.5 Ų122.583%0.82774%0.735SS**  68.7150.892.6-65.4-178.881.200115.6
577A26Very low30.3Very low78 Ų78124.4 Ų124.465%0.64574%0.738SS**  cis-172135.7-19.700000105.3
578S29Very low30.3Very low102 Ų102125.8 Ų125.871%0.71374%0.737SS**  cis86.483.644.879.20000116.7
579S30.3Very low30.7Very low119 Ų119128.1 Ų128.183%0.83274%0.739SS**  trans72.6179.7146.5-49.10000116.9
580P44.9Very low31.1Very low119 Ų119126.3 Ų126.377%0.77373%0.727SS**  cis-141.8175.40.544.6-27000118.7
581S22.2Very low31.3Very low131 Ų131126.3 Ų126.392%0.91674%0.74SS**  trans73.4144.6143.9-153.10000122.9
582G22.8Very low32.1Very low80 Ų80123.8 Ų123.883%0.82573%0.728SS**  trans137100.2157.600000117.1
583A29.2Very low32.5Very low97 Ų97123.7 Ų123.780%0.80274%0.74SS**  trans-127.1162.5167.300000110.3
584P37.8Very low33.1Very low117 Ų117119 Ų11976%0.7673%0.731SS**  -155.8146.9104.837.9-19000118.6
585Q36Very low34.1Very low188 Ų188119 Ų11988%0.87973%0.73SS**  41.9144.4128.6-60.1-172.98.200122.4
586S29.6Very low35Very low91 Ų91119.7 Ų119.764%0.63672%0.723SS**  cis-169.2179.7-1.860.80000113.3
587I32.5Very low36.1Very low141 Ų141116 Ų11672%0.72371%0.713SS**  trans74.5134.1156.6-74.4169.1000116.6
588R27.8Very low37.5Very low193 Ų193118.6 Ų118.673%0.72871%0.712SS**  cis-159.8133.13.9-125.6176.6-160.8170.54.1113.7
589R36.8Very low39.5Very low207 Ų207117.9 Ų117.978%0.78170%0.7SS**  trans67.9168.8140.7-111.2-164.6-85.3143.1-11120.4
590P46.5Very low41.5Very low75 Ų75115.9 Ų115.949%0.48768%0.679SS.*  -137.2179.5-107.445.7-28.6000117.5E592P590-E592 HydrophobicContact CB-CG 4.02Å; P590-E592 WeakPolarHBondContact CB-OE2 3.1Å
591T32.9Very low42.9Very low148 Ų148111.7 Ų111.791%0.90866%0.657SS**  trans-151.878.3149.4-64.80000109.5
592E42.1Very low46Very low130 Ų130112.3 Ų112.361%0.60765%0.646SS**  trans-109.94.4-163.6-66.7165.1125.400114.8P590 G594P590-E592 HydrophobicContact CB-CG 4.02Å; P590-E592 WeakPolarHBondContact CB-OE2 3.1Å; E592-G594 VanDerWaalsContact C-N 3.3Å; E592-G594 PolarHBondContact O-N 2.93Å; E592-G594 VanDerWaalsContact O-N 3.16Å
593A38.2Very low49.1Very low87 Ų87111.2 Ų111.272%0.71962%0.62SS**THydrogen-bonded Turntrans-70.2-12.1-165.500000116.7V597A593-V597 WeakPolarHBondContact O-CG2 3.26Å
594G43.8Very low51.9Low47 Ų47108.4 Ų108.449%0.48559%0.591SS.*THydrogen-bonded Turntrans-89.5-68.4176.200000112E592 L596 V597 E598E592-G594 VanDerWaalsContact C-N 3.3Å; E592-G594 PolarHBondContact O-N 2.93Å; E592-G594 VanDerWaalsContact O-N 3.16Å; G594-L596 VanDerWaalsContact C-N 3.26Å; G594-L596 PolarHBondContact O-N 3.42Å; G594-L596 VanDerWaalsContact O-N 3.14Å; G594-V597 WeakPolarHBondContact O-CB 3.46Å; G594-V597 PolarHBondContact O-N 3.12Å; G594-E598 PolarHBondContact O-N 2.92Å
595S47.6Very low54.3Low94 Ų94107.3 Ų107.366%0.65758%0.578SS**Hα-helixtrans-52.3-38.8-174178.30000114.1V597 E598 D599S595-V597 VanDerWaalsContact C-N 3.31Å; S595-V597 PolarHBondContact O-N 2.85Å; S595-E598 PolarHBondContact O-N 2.99Å; S595-D599 PolarHBondContact O-N 2.86Å
596L49Very low57Low92 Ų92102.9 Ų102.948%0.48256%0.557SS.*Hα-helixtrans-70.2-27.2-178.8-138.5169.1000112.5G594 I600G594-L596 VanDerWaalsContact C-N 3.26Å; G594-L596 PolarHBondContact O-N 3.42Å; G594-L596 VanDerWaalsContact O-N 3.14Å; L596-I600 HydrophobicContact CD2-CD1 3.57Å; L596-I600 HydrophobicContact CD2-CG1 4.05Å; L596-I600 WeakPolarHBondContact O-CB 3.4Å; L596-I600 WeakPolarHBondContact O-CD1 3.32Å; L596-I600 VanDerWaalsContact O-CG1 3.24Å; L596-I600 WeakPolarHBondContact O-CG1 3.36Å; L596-I600 PolarHBondContact O-N 2.8Å; L596-I600 VanDerWaalsContact O-N 3.13Å
597V52.9Low60.1Low101 Ų10199.2 Ų99.261%0.61253%0.531SS*.Hα-helixtrans-76.4-36.2176.2177.70000110.9A593 G594 S595 G601A593-V597 WeakPolarHBondContact O-CG2 3.26Å; G594-V597 WeakPolarHBondContact O-CB 3.46Å; G594-V597 PolarHBondContact O-N 3.12Å; S595-V597 VanDerWaalsContact C-N 3.31Å; S595-V597 PolarHBondContact O-N 2.85Å; V597-G601 PolarHBondContact O-N 2.91Å
598E56.5Low63.1Low132 Ų13295.6 Ų95.662%0.61751%0.508SS*.Hα-helixtrans-69.3-45.1175.8-66.4176.7135.900110.9G594 S595 I600 G601 E602G594-E598 PolarHBondContact O-N 2.92Å; S595-E598 PolarHBondContact O-N 2.99Å; E598-I600 PolarHBondContact O-N 3.23Å; E598-G601 CarbonylContact O-C 3.59Å; E598-G601 WeakPolarHBondContact O-CA 3.44Å; E598-G601 PolarHBondContact O-N 3.32Å; E598-E602 PolarHBondContact O-N 3.48Å
599D69.4Low66.2Low87 Ų8794.5 Ų94.547%0.46550%0.504SS..Hα-helixtrans-56.7-48.8172.2173.656.8000112.4S595 G601 E602 M603S595-D599 PolarHBondContact O-N 2.86Å; D599-G601 PolarHBondContact O-N 2.82Å; D599-E602 PolarHBondContact O-N 3.29Å; D599-M603 WeakPolarHBondContact O-CB 2.87Å; D599-M603 PolarHBondContact O-N 3.14Å; D599-M603 WeakPolarHBondContact OD2-CE 3.15Å
600I73.3Confident69Low76 Ų7688.7 Ų88.739%0.3949%0.486SS..Hα-helixtrans-60.4-34.6174.5-71.4169.2000111.5L596 E598 M603 I604L596-I600 HydrophobicContact CD2-CD1 3.57Å; L596-I600 HydrophobicContact CD2-CG1 4.05Å; L596-I600 WeakPolarHBondContact O-CB 3.4Å; L596-I600 WeakPolarHBondContact O-CD1 3.32Å; L596-I600 VanDerWaalsContact O-CG1 3.24Å; L596-I600 WeakPolarHBondContact O-CG1 3.36Å; L596-I600 PolarHBondContact O-N 2.8Å; L596-I600 VanDerWaalsContact O-N 3.13Å; E598-I600 PolarHBondContact O-N 3.23Å; I600-M603 HydrophobicContact CG1-CE 4.37Å; I600-I604 HydrophobicContact CG2-CD1 3.88Å; I600-I604 WeakPolarHBondContact O-CB 3.46Å; I600-I604 WeakPolarHBondContact O-CD1 3.24Å; I600-I604 VanDerWaalsContact O-CG1 3.23Å; I600-I604 WeakPolarHBondContact O-CG1 3.32Å; I600-I604 PolarHBondContact O-N 3.47Å
601G74.9Confident71.4Confident31 Ų3185.1 Ų85.132%0.3246%0.462SS..Hα-helixtrans-63.1-52.2174.700000112.7V597 E598 D599 I604 L605V597-G601 PolarHBondContact O-N 2.91Å; E598-G601 CarbonylContact O-C 3.59Å; E598-G601 WeakPolarHBondContact O-CA 3.44Å; E598-G601 PolarHBondContact O-N 3.32Å; D599-G601 PolarHBondContact O-N 2.82Å; G601-I604 PolarHBondContact O-N 3.44Å; G601-L605 WeakPolarHBondContact O-CG 3.37Å; G601-L605 PolarHBondContact O-N 2.75Å
602E86.1Confident74.4Confident145 Ų14580.9 Ų80.968%0.67843%0.432SS*.Hα-helixtrans-64.5-42.4177.7-64.9-158.3160.300111.9E598 D599 I604 L605 Q606E598-E602 PolarHBondContact O-N 3.48Å; D599-E602 PolarHBondContact O-N 3.29Å; E602-I604 VanDerWaalsContact C-N 3.31Å; E602-I604 PolarHBondContact O-N 3.46Å; E602-L605 CarbonylContact O-C 3.22Å; E602-L605 WeakPolarHBondContact O-CB 3.28Å; E602-L605 PolarHBondContact O-N 2.63Å; E602-L605 VanDerWaalsContact O-N 3.09Å; E602-Q606 WeakPolarHBondContact O-CB 3.38Å; E602-Q606 PolarHBondContact O-N 2.79Å
603M87.2Confident76.9Confident57 Ų5778.9 Ų78.928%0.28143%0.425SS..Hα-helixtrans-55-43.3172.7-177.7-165-54.700112D599 I600 L607 R666D599-M603 WeakPolarHBondContact O-CB 2.87Å; D599-M603 PolarHBondContact O-N 3.14Å; D599-M603 WeakPolarHBondContact OD2-CE 3.15Å; I600-M603 HydrophobicContact CG1-CE 4.37Å; M603-L607 HydrophobicContact CG-CD1 4.4Å; M603-L607 WeakPolarHBondContact O-CB 3.25Å; M603-L607 VanDerWaalsContact O-CG 3.24Å; M603-L607 WeakPolarHBondContact O-CG 3.47Å; M603-L607 PolarHBondContact O-N 3.37Å; M603-R666 PolarHBondContact SD-NH2 3.29Å
604I88Confident79.6Confident38 Ų3875.9 Ų75.920%0.19540%0.397CS..Hα-helixtrans-68.2-39.7175.4-74.6168000111.6I600 G601 E602 R608 A662I600-I604 HydrophobicContact CG2-CD1 3.88Å; I600-I604 WeakPolarHBondContact O-CB 3.46Å; I600-I604 WeakPolarHBondContact O-CD1 3.24Å; I600-I604 VanDerWaalsContact O-CG1 3.23Å; I600-I604 WeakPolarHBondContact O-CG1 3.32Å; I600-I604 PolarHBondContact O-N 3.47Å; G601-I604 PolarHBondContact O-N 3.44Å; E602-I604 VanDerWaalsContact C-N 3.31Å; E602-I604 PolarHBondContact O-N 3.46Å; I604-R608 WeakPolarHBondContact O-CB 3.36Å; I604-R608 VanDerWaalsContact O-CG 3.26Å; I604-R608 WeakPolarHBondContact O-CG 3.41Å; I604-R608 PolarHBondContact O-N 3.42Å; I604-A662 HydrophobicContact CD1-CB 4.25Å; I604-A662 HydrophobicContact CG1-CB 3.84Å
605L89.8Confident82.1Confident94 Ų9473.6 Ų73.649%0.49237%0.374SS..Hα-helixtrans-65.5-38.9176.6-70.9167.8000111.8G601 E602 R608 R609G601-L605 WeakPolarHBondContact O-CG 3.37Å; G601-L605 PolarHBondContact O-N 2.75Å; E602-L605 CarbonylContact O-C 3.22Å; E602-L605 WeakPolarHBondContact O-CB 3.28Å; E602-L605 PolarHBondContact O-N 2.63Å; E602-L605 VanDerWaalsContact O-N 3.09Å; L605-R608 PolarHBondContact O-N 3.47Å; L605-R609 PolarHBondContact O-N 2.7Å
606Q92.3Very high84.4Confident95 Ų9569.8 Ų69.844%0.44435%0.347SS..Hα-helixtrans-68.7-44.5176.7-175.764.8-14.700111.8E602 R608 R609 Q610E602-Q606 WeakPolarHBondContact O-CB 3.38Å; E602-Q606 PolarHBondContact O-N 2.79Å; Q606-R608 VanDerWaalsContact C-N 3.28Å; Q606-R608 PolarHBondContact O-N 3.43Å; Q606-R609 WeakPolarHBondContact O-CB 3.43Å; Q606-R609 PolarHBondContact O-N 3.24Å; Q606-R609 VanDerWaalsContact O-N 3.16Å; Q606-Q610 WeakPolarHBondContact O-CG 3.26Å; Q606-Q610 PolarHBondContact O-N 2.79Å
607L93.4Very high86.5Confident14 Ų1468.4 Ų68.47%0.07334%0.34CS..Hα-helixtrans-58.3-38.6172.5-74.7168.6000112.1M603 Q610 V611 A662 L665 R666 L669M603-L607 HydrophobicContact CG-CD1 4.4Å; M603-L607 WeakPolarHBondContact O-CB 3.25Å; M603-L607 VanDerWaalsContact O-CG 3.24Å; M603-L607 WeakPolarHBondContact O-CG 3.47Å; M603-L607 PolarHBondContact O-N 3.37Å; L607-Q610 PolarHBondContact O-N 2.86Å; L607-V611 WeakPolarHBondContact O-CG2 3.49Å; L607-V611 PolarHBondContact O-N 3.44Å; L607-V611 VanDerWaalsContact O-N 3.09Å; L607-A662 HydrophobicContact CD1-CB 4.32Å; L607-L665 HydrophobicContact CB-CB 3.96Å; L607-L665 HydrophobicContact CB-CD1 3.92Å; L607-L665 HydrophobicContact CB-CG 4.5Å; L607-R666 HydrophobicContact CD1-CG 4.05Å; L607-R666 HydrophobicContact CD2-CG 3.86Å; L607-L669 HydrophobicContact CD2-CD1 3.65Å
608R95.6Very high88.5Confident65 Ų6565.5 Ų65.525%0.24532%0.319CS..Hα-helixtrans-65-43.4174.6-75.7169.3172.8166.71.2112.3I604 L605 Q606 V611 E612 P657 N658 F660 L665I604-R608 WeakPolarHBondContact O-CB 3.36Å; I604-R608 VanDerWaalsContact O-CG 3.26Å; I604-R608 WeakPolarHBondContact O-CG 3.41Å; I604-R608 PolarHBondContact O-N 3.42Å; L605-R608 PolarHBondContact O-N 3.47Å; Q606-R608 VanDerWaalsContact C-N 3.28Å; Q606-R608 PolarHBondContact O-N 3.43Å; R608-V611 PolarHBondContact O-N 2.87Å; R608-E612 WeakPolarHBondContact O-CB 3.42Å; R608-E612 PolarHBondContact O-N 2.88Å; R608-P657 HydrophobicContact CB-CB 4.19Å; R608-P657 HydrophobicContact CG-CB 4.29Å; R608-N658 WeakPolarHBondContact CD-OD1 3.48Å; R608-N658 PolarHBondContact NH2-O 3.24Å; R608-F660 PolarHBondContact NE-O 3.21Å; R608-F660 PolarHBondContact NH2-O 3.37Å; R608-L665 HydrophobicContact CG-CD1 3.6Å; R608-L665 HydrophobicContact CG-CD2 4.11Å
609R94.8Very high90.3Very high169 Ų16960 Ų6064%0.63829%0.292SS*.Hα-helixtrans-61.4-43.8176.2-170.2-170.3-55.5-77.9-1.2111.6L605 Q606 E612 N613L605-R609 PolarHBondContact O-N 2.7Å; Q606-R609 WeakPolarHBondContact O-CB 3.43Å; Q606-R609 PolarHBondContact O-N 3.24Å; Q606-R609 VanDerWaalsContact O-N 3.16Å; R609-E612 PolarHBondContact O-N 3.16Å; R609-N613 WeakPolarHBondContact O-CB 3.38Å; R609-N613 PolarHBondContact O-N 3.06Å
610Q94.9Very high91.4Very high86 Ų8656 Ų5640%0.40227%0.272SS..Hα-helixtrans-62-44.7177.6-73171.7-29.900111.9Q606 L607 N613 L614 L669Q606-Q610 WeakPolarHBondContact O-CG 3.26Å; Q606-Q610 PolarHBondContact O-N 2.79Å; L607-Q610 PolarHBondContact O-N 2.86Å; Q610-N613 PolarHBondContact O-N 3.45Å; Q610-L614 WeakPolarHBondContact O-CB 3.47Å; Q610-L614 PolarHBondContact O-N 3.05Å; Q610-L669 HydrophobicContact CB-CD1 3.96Å; Q610-L669 HydrophobicContact CB-CD2 3.96Å
611V96.1Very high92.3Very high0 Ų057.3 Ų57.30%028%0.276CS..Hα-helixtrans-70.3-37.5177.9-1800000112.4L607 R608 N613 L614 F615 P657 L665 I668 L669L607-V611 WeakPolarHBondContact O-CG2 3.49Å; L607-V611 PolarHBondContact O-N 3.44Å; L607-V611 VanDerWaalsContact O-N 3.09Å; R608-V611 PolarHBondContact O-N 2.87Å; V611-N613 VanDerWaalsContact C-N 3.34Å; V611-N613 PolarHBondContact O-N 2.94Å; V611-L614 PolarHBondContact O-N 2.72Å; V611-F615 HydrophobicContact CG1-CD1 4.37Å; V611-F615 HydrophobicContact CG1-CD2 3.9Å; V611-F615 HydrophobicContact CG1-CE1 4.04Å; V611-F615 HydrophobicContact CG1-CE2 3.54Å; V611-F615 HydrophobicContact CG1-CG 4.31Å; V611-F615 HydrophobicContact CG1-CZ 3.62Å; V611-F615 WeakPolarHBondContact O-CB 3.3Å; V611-F615 WeakPolarHBondContact O-CG 3.49Å; V611-F615 PolarHBondContact O-N 3.17Å; V611-P657 HydrophobicContact CB-CB 4.28Å; V611-P657 HydrophobicContact CB-CG 4.14Å; V611-P657 HydrophobicContact CG1-CB 4.39Å; V611-P657 HydrophobicContact CG1-CG 3.95Å; V611-L665 HydrophobicContact CB-CD2 4.09Å; V611-L665 HydrophobicContact CG2-CB 4.35Å; V611-L665 HydrophobicContact CG2-CD2 3.8Å; V611-I668 HydrophobicContact CG1-CD1 4.44Å; V611-I668 HydrophobicContact CG1-CG2 3.74Å; V611-I668 HydrophobicContact CG2-CB 4.38Å; V611-I668 HydrophobicContact CG2-CG2 4.21Å; V611-L669 HydrophobicContact CG2-CD1 4.21Å; V611-L669 HydrophobicContact CG2-CD2 3.62Å; V611-L669 HydrophobicContact CG2-CG 3.64Å
612E95.6Very high93Very high59 Ų5957.6 Ų57.628%0.27628%0.275SS..Hα-helixtrans-62.1-42.5174.3-166.977.8-120.100111.1R608 R609 S616 Y633 P657R608-E612 WeakPolarHBondContact O-CB 3.42Å; R608-E612 PolarHBondContact O-N 2.88Å; R609-E612 PolarHBondContact O-N 3.16Å; E612-S616 WeakPolarHBondContact O-CB 3.31Å; E612-S616 PolarHBondContact O-N 3.37Å; E612-S616 PolarHBondContact O-OG 3.46Å; E612-Y633 VanDerWaalsContact OE1-CE2 3.3Å; E612-Y633 WeakPolarHBondContact OE1-CE2 2.99Å; E612-Y633 PolarHBondContact OE1-OH 3.49Å; E612-P657 HydrophobicContact CB-CG 3.91Å; E612-P657 VanDerWaalsContact OE2-CD 3.31Å; E612-P657 WeakPolarHBondContact OE2-CD 3.46Å
613N95.8Very high93.1Very high87 Ų8753.8 Ų53.847%0.46526%0.259SS..Hα-helixtrans-66.6-45.9177.7-166.855.3000111.7R609 Q610 V611 F615 S616 I617R609-N613 WeakPolarHBondContact O-CB 3.38Å; R609-N613 PolarHBondContact O-N 3.06Å; Q610-N613 PolarHBondContact O-N 3.45Å; V611-N613 VanDerWaalsContact C-N 3.34Å; V611-N613 PolarHBondContact O-N 2.94Å; N613-F615 PolarHBondContact O-N 3.39Å; N613-S616 PolarHBondContact O-N 2.99Å; N613-I617 WeakPolarHBondContact O-CG1 3.32Å; N613-I617 PolarHBondContact O-N 2.85Å
614L95.5Very high93.1Very high24 Ų2454.3 Ų54.313%0.12628%0.28CS..Hα-helixtrans-55.4-50.1174.4172.964.8000111.7Q610 V611 S616 I617 K618 L669 S672 I675Q610-L614 WeakPolarHBondContact O-CB 3.47Å; Q610-L614 PolarHBondContact O-N 3.05Å; V611-L614 PolarHBondContact O-N 2.72Å; L614-S616 VanDerWaalsContact C-N 3.31Å; L614-S616 PolarHBondContact O-N 3.4Å; L614-I617 PolarHBondContact O-N 2.74Å; L614-K618 HydrophobicContact CD1-CG 4.04Å; L614-K618 WeakPolarHBondContact O-CB 3.42Å; L614-K618 WeakPolarHBondContact O-CG 3.33Å; L614-K618 PolarHBondContact O-N 3.13Å; L614-L669 HydrophobicContact CD2-CD2 4.1Å; L614-S672 VanDerWaalsContact CD2-CB 3.44Å; L614-I675 HydrophobicContact CD2-CD1 4.29Å
615F96Very high93Very high0 Ų056.7 Ų56.70%029%0.293CS..Hα-helixtrans-63.7-36.5177.9-71-14.6000112.3V611 N613 Y619 V631 Y633 L648 L654 P657 I668 I675 F677V611-F615 HydrophobicContact CG1-CD1 4.37Å; V611-F615 HydrophobicContact CG1-CD2 3.9Å; V611-F615 HydrophobicContact CG1-CE1 4.04Å; V611-F615 HydrophobicContact CG1-CE2 3.54Å; V611-F615 HydrophobicContact CG1-CG 4.31Å; V611-F615 HydrophobicContact CG1-CZ 3.62Å; V611-F615 WeakPolarHBondContact O-CB 3.3Å; V611-F615 WeakPolarHBondContact O-CG 3.49Å; V611-F615 PolarHBondContact O-N 3.17Å; N613-F615 PolarHBondContact O-N 3.39Å; F615-Y619 WeakPolarHBondContact O-CB 3.37Å; F615-Y619 PolarHBondContact O-N 3.36Å; F615-V631 HydrophobicContact CB-CG2 4Å; F615-V631 VanDerWaalsContact O-CG2 3.31Å; F615-V631 WeakPolarHBondContact O-CG2 3.43Å; F615-Y633 HydrophobicContact CD2-CE1 4.01Å; F615-L648 HydrophobicContact CE1-CD2 3.94Å; F615-L648 HydrophobicContact CZ-CD2 3.93Å; F615-L654 HydrophobicContact CD2-CD1 4.31Å; F615-L654 HydrophobicContact CE2-CD1 4.03Å; F615-L654 HydrophobicContact CZ-CD1 4.18Å; F615-P657 HydrophobicContact CD2-CG 4.36Å; F615-I668 HydrophobicContact CE1-CG2 3.76Å; F615-I668 HydrophobicContact CZ-CG2 3.79Å; F615-I675 HydrophobicContact CD1-CG2 4.39Å; F615-I675 HydrophobicContact CE1-CD1 4.27Å; F615-I675 HydrophobicContact CE1-CG2 4.25Å; F615-F677 HydrophobicContact CB-CE2 4.38Å; F615-F677 HydrophobicContact CB-CZ 4.08Å; F615-F677 HydrophobicContact CD1-CE2 4.29Å; F615-F677 HydrophobicContact CD1-CZ 4.39Å; F615-F677 HydrophobicContact CG-CZ 4.31Å
616S94.5Very high92.6Very high14 Ų1458.4 Ų58.410%0.09831%0.309CS..Hα-helixtrans-69.4-36.8177.9-55.90000112.5E612 N613 L614 A620 A629E612-S616 WeakPolarHBondContact O-CB 3.31Å; E612-S616 PolarHBondContact O-N 3.37Å; E612-S616 PolarHBondContact O-OG 3.46Å; N613-S616 PolarHBondContact O-N 2.99Å; L614-S616 VanDerWaalsContact C-N 3.31Å; L614-S616 PolarHBondContact O-N 3.4Å; S616-A620 WeakPolarHBondContact O-CB 3.42Å; S616-A620 PolarHBondContact O-N 3.28Å; S616-A629 WeakPolarHBondContact CA-O 3.36Å; S616-A629 VanDerWaalsContact CB-O 3.27Å; S616-A629 WeakPolarHBondContact CB-O 3.31Å; S616-A629 PolarHBondContact O-N 3.44Å
617I94.7Very high92.2Very high63 Ų6361.2 Ų61.232%0.32332%0.322SS..Hα-helixtrans-66.7-51.8171.9-67.5163.2000110.2N613 L614 Y619 A620 E621 P628N613-I617 WeakPolarHBondContact O-CG1 3.32Å; N613-I617 PolarHBondContact O-N 2.85Å; L614-I617 PolarHBondContact O-N 2.74Å; I617-Y619 PolarHBondContact O-N 2.95Å; I617-A620 WeakPolarHBondContact O-CB 3.08Å; I617-A620 PolarHBondContact O-N 3.27Å; I617-E621 HydrophobicContact CG2-CG 4.48Å; I617-E621 WeakPolarHBondContact O-CG 3.47Å; I617-E621 PolarHBondContact O-N 3.03Å; I617-P628 HydrophobicContact CG1-CB 4.07Å; I617-P628 HydrophobicContact CG1-CG 3.9Å
618K94.2Very high92Very high40 Ų4064.3 Ų64.317%0.17434%0.343CS..Hα-helixtrans-65.3-23.9-178.9-67.9-49.3-165.6-169.70114.2L614 E621 A622 I675 F677L614-K618 HydrophobicContact CD1-CG 4.04Å; L614-K618 WeakPolarHBondContact O-CB 3.42Å; L614-K618 WeakPolarHBondContact O-CG 3.33Å; L614-K618 PolarHBondContact O-N 3.13Å; K618-E621 VanDerWaalsContact CD-CD 3.48Å; K618-E621 WeakPolarHBondContact CD-OE1 3.43Å; K618-E621 WeakPolarHBondContact CD-OE2 3.3Å; K618-E621 IonicContact NZ-OE1 3.44Å; K618-E621 PolarHBondContact NZ-OE1 3.09Å; K618-E621 IonicContact NZ-OE2 3.83Å; K618-E621 PolarHBondContact NZ-OE2 2.99Å; K618-A622 PolarHBondContact O-N 3.5Å; K618-I675 WeakPolarHBondContact CG-O 3.47Å; K618-F677 HydrophobicContact CB-CD2 3.65Å; K618-F677 HydrophobicContact CB-CE2 3.84Å
619Y94.6Very high91.7Very high15 Ų1562 Ų626%0.05934%0.338CS..Hα-helixtrans-80.5-34.7170.2177.4-112.7000112.9F615 I617 A622 L623 A629 V631 P632 F636 F677 I679 L685F615-Y619 WeakPolarHBondContact O-CB 3.37Å; F615-Y619 PolarHBondContact O-N 3.36Å; I617-Y619 PolarHBondContact O-N 2.95Å; Y619-A622 PolarHBondContact O-N 3Å; Y619-L623 HydrophobicContact CD1-CD1 4.18Å; Y619-L623 HydrophobicContact CE1-CD1 3.58Å; Y619-L623 HydrophobicContact CE2-CD1 4.08Å; Y619-L623 HydrophobicContact CE2-CG 4.29Å; Y619-L623 WeakPolarHBondContact O-CG 3.46Å; Y619-L623 PolarHBondContact O-N 3.27Å; Y619-L623 VanDerWaalsContact O-N 3.17Å; Y619-A629 HydrophobicContact CD1-CB 3.73Å; Y619-A629 WeakPolarHBondContact CD1-O 3.08Å; Y619-A629 HydrophobicContact CE1-CB 4Å; Y619-V631 HydrophobicContact CD1-CG2 4.2Å; Y619-V631 HydrophobicContact CG-CG2 4.06Å; Y619-P632 VanDerWaalsContact CE1-CD 3.47Å; Y619-P632 HydrophobicContact CE1-CG 4.41Å; Y619-P632 HydrophobicContact CE2-CG 4.28Å; Y619-P632 VanDerWaalsContact OH-CD 3.32Å; Y619-P632 WeakPolarHBondContact OH-CD 3.22Å; Y619-P632 WeakPolarHBondContact OH-CG 3.38Å; Y619-F636 AromaticContact CD2-CE2 3.96Å; Y619-F636 HydrophobicContact CD2-CE2 3.96Å; Y619-F636 AromaticContact CD2-CZ 3.86Å; Y619-F636 HydrophobicContact CD2-CZ 3.86Å; Y619-F636 AromaticContact CE2-CE2 3.58Å; Y619-F636 HydrophobicContact CE2-CE2 3.58Å; Y619-F636 AromaticContact CE2-CZ 3.75Å; Y619-F636 HydrophobicContact CE2-CZ 3.75Å; Y619-F677 AromaticContact CD2-CD1 3.86Å; Y619-F677 HydrophobicContact CD2-CD1 3.86Å; Y619-F677 HydrophobicContact CD2-CE1 4.37Å; Y619-F677 HydrophobicContact CD2-CG 4.48Å; Y619-F677 HydrophobicContact CG-CD1 4.37Å; Y619-I679 HydrophobicContact CD2-CD1 4.24Å; Y619-I679 HydrophobicContact CE2-CD1 3.9Å; Y619-L685 HydrophobicContact CE2-CD1 4.17Å
620A91.9Very high91.6Very high4 Ų462.8 Ų62.83%0.03335%0.346CS..Hα-helixtrans-64.2-45.517100000112.1S616 I617 A622 L623 G624 L625 E627 A629S616-A620 WeakPolarHBondContact O-CB 3.42Å; S616-A620 PolarHBondContact O-N 3.28Å; I617-A620 WeakPolarHBondContact O-CB 3.08Å; I617-A620 PolarHBondContact O-N 3.27Å; A620-A622 VanDerWaalsContact C-N 3.27Å; A620-A622 PolarHBondContact O-N 3.02Å; A620-L623 CarbonylContact O-C 3.16Å; A620-L623 WeakPolarHBondContact O-CA 3.38Å; A620-L623 PolarHBondContact O-N 3.03Å; A620-G624 PolarHBondContact O-N 3.4Å; A620-L625 HydrophobicContact CB-CB 4.2Å; A620-L625 PolarHBondContact O-N 3.46Å; A620-E627 WeakPolarHBondContact CB-O 3.03Å; A620-A629 HydrophobicContact CB-CB 3.98Å
621E92.1Very high91.6Very high104 Ų10459 Ų5949%0.48633%0.329SS..Hα-helixtrans-52.4-46.1172.9-73176.2-157.200111.2I617 K618 L623 G624I617-E621 HydrophobicContact CG2-CG 4.48Å; I617-E621 WeakPolarHBondContact O-CG 3.47Å; I617-E621 PolarHBondContact O-N 3.03Å; K618-E621 VanDerWaalsContact CD-CD 3.48Å; K618-E621 WeakPolarHBondContact CD-OE1 3.43Å; K618-E621 WeakPolarHBondContact CD-OE2 3.3Å; K618-E621 IonicContact NZ-OE1 3.44Å; K618-E621 PolarHBondContact NZ-OE1 3.09Å; K618-E621 IonicContact NZ-OE2 3.83Å; K618-E621 PolarHBondContact NZ-OE2 2.99Å; E621-L623 VanDerWaalsContact C-N 3.26Å; E621-L623 PolarHBondContact O-N 2.99Å; E621-G624 PolarHBondContact O-N 2.9Å; E621-G624 VanDerWaalsContact O-N 3.16Å
622A90.6Very high91.4Very high36 Ų3660.6 Ų60.630%0.29834%0.339SS..Hα-helixtrans-71.3-14.7178.600000114.9K618 Y619 A620 F677 I679K618-A622 PolarHBondContact O-N 3.5Å; Y619-A622 PolarHBondContact O-N 3Å; A620-A622 VanDerWaalsContact C-N 3.27Å; A620-A622 PolarHBondContact O-N 3.02Å; A622-F677 HydrophobicContact CB-CB 3.6Å; A622-F677 VanDerWaalsContact CB-O 3.26Å; A622-F677 WeakPolarHBondContact CB-O 3.26Å; A622-I679 HydrophobicContact CB-CD1 4.05Å
623L87.8Confident91.2Very high65 Ų6558.9 Ų58.934%0.3433%0.331SS..Hα-helixtrans-99.1-5.5171.4-72.8176.9000113.2Y619 A620 E621 L625 A629 I679 L685Y619-L623 HydrophobicContact CD1-CD1 4.18Å; Y619-L623 HydrophobicContact CE1-CD1 3.58Å; Y619-L623 HydrophobicContact CE2-CD1 4.08Å; Y619-L623 HydrophobicContact CE2-CG 4.29Å; Y619-L623 WeakPolarHBondContact O-CG 3.46Å; Y619-L623 PolarHBondContact O-N 3.27Å; Y619-L623 VanDerWaalsContact O-N 3.17Å; A620-L623 CarbonylContact O-C 3.16Å; A620-L623 WeakPolarHBondContact O-CA 3.38Å; A620-L623 PolarHBondContact O-N 3.03Å; E621-L623 VanDerWaalsContact C-N 3.26Å; E621-L623 PolarHBondContact O-N 2.99Å; L623-L625 VanDerWaalsContact C-N 3.26Å; L623-L625 HydrophobicContact CB-CD1 3.97Å; L623-L625 HydrophobicContact CB-CG 3.88Å; L623-L625 HydrophobicContact CD1-CD1 3.78Å; L623-L625 PolarHBondContact O-N 2.94Å; L623-A629 HydrophobicContact CD1-CB 4.44Å; L623-I679 HydrophobicContact CD2-CD1 3.62Å; L623-I679 HydrophobicContact CG-CD1 3.95Å; L623-L685 HydrophobicContact CD2-CD1 4.16Å
624G87.2Confident90.9Very high69 Ų6958.5 Ų58.571%0.71133%0.334SS*.THydrogen-bonded Turntrans68.620.8-171.100000114.3A620 E621A620-G624 PolarHBondContact O-N 3.4Å; E621-G624 PolarHBondContact O-N 2.9Å; E621-G624 VanDerWaalsContact O-N 3.16Å
625L86.6Confident90.5Very high88 Ų8860 Ų6046%0.46134%0.34SS..  trans-88.9140-179.3-66.8175.5000111.6A620 L623 A629A620-L625 HydrophobicContact CB-CB 4.2Å; A620-L625 PolarHBondContact O-N 3.46Å; L623-L625 VanDerWaalsContact C-N 3.26Å; L623-L625 HydrophobicContact CB-CD1 3.97Å; L623-L625 HydrophobicContact CB-CG 3.88Å; L623-L625 HydrophobicContact CD1-CD1 3.78Å; L623-L625 PolarHBondContact O-N 2.94Å; L625-A629 HydrophobicContact CD1-CB 4.04Å
626P80.6Confident90.3Very high130 Ų13060.4 Ų60.484%0.84434%0.342SS*.SBendtrans-78.1-20-179.831.7-35.8000113.8
627E84.2Confident90Very high154 Ų15465 Ų6572%0.7236%0.361SS*.SBendtrans-108.5146.1-179.4-65.8-163.3162.900112.5A620 A629A620-E627 WeakPolarHBondContact CB-O 3.03Å; E627-A629 PolarHBondContact O-N 3.36Å; E627-A629 VanDerWaalsContact O-N 3.1Å
628P88.8Confident89.6Confident79 Ų7967.1 Ų67.151%0.51337%0.372SS..  trans-57.9113.5-180-24.534.3000113.2I617I617-P628 HydrophobicContact CG1-CB 4.07Å; I617-P628 HydrophobicContact CG1-CG 3.9Å
629A90.4Very high89.2Confident16 Ų1669.6 Ų69.613%0.13238%0.38CS..  trans-93.8138.1-171.600000111.2S616 Y619 A620 L623 L625 E627 V631S616-A629 WeakPolarHBondContact CA-O 3.36Å; S616-A629 VanDerWaalsContact CB-O 3.27Å; S616-A629 WeakPolarHBondContact CB-O 3.31Å; S616-A629 PolarHBondContact O-N 3.44Å; Y619-A629 HydrophobicContact CD1-CB 3.73Å; Y619-A629 WeakPolarHBondContact CD1-O 3.08Å; Y619-A629 HydrophobicContact CE1-CB 4Å; A620-A629 HydrophobicContact CB-CB 3.98Å; L623-A629 HydrophobicContact CD1-CB 4.44Å; L625-A629 HydrophobicContact CD1-CB 4.04Å; E627-A629 PolarHBondContact O-N 3.36Å; E627-A629 VanDerWaalsContact O-N 3.1Å; A629-V631 PolarHBondContact O-N 3.44Å
630K92.6Very high88.8Confident185 Ų18572.2 Ų72.280%0.80440%0.399SS*.  trans-73.3112.2-175.2-172.9174.5-173.4169.40111.9P632K630-P632 WeakPolarHBondContact O-CD 3.3Å
631V94.3Very high88.5Confident6 Ų678.5 Ų78.54%0.03643%0.428CS..  trans-60.1122.3-174.8-170.90000112.6F615 Y619 A629 Y633 F677F615-V631 HydrophobicContact CB-CG2 4Å; F615-V631 VanDerWaalsContact O-CG2 3.31Å; F615-V631 WeakPolarHBondContact O-CG2 3.43Å; Y619-V631 HydrophobicContact CD1-CG2 4.2Å; Y619-V631 HydrophobicContact CG-CG2 4.06Å; A629-V631 PolarHBondContact O-N 3.44Å; V631-Y633 HydrophobicContact CB-CD2 4.18Å; V631-Y633 HydrophobicContact CB-CE1 4.27Å; V631-Y633 HydrophobicContact CB-CE2 3.85Å; V631-Y633 HydrophobicContact CG1-CD1 4.13Å; V631-Y633 HydrophobicContact CG1-CD2 4.4Å; V631-Y633 HydrophobicContact CG1-CE1 4.14Å; V631-Y633 HydrophobicContact CG1-CE2 4.42Å; V631-Y633 HydrophobicContact CG1-CG 4.26Å; V631-Y633 WeakPolarHBondContact O-CD2 3.36Å; V631-Y633 WeakPolarHBondContact O-CE2 3.3Å; V631-Y633 PolarHBondContact O-N 2.95Å; V631-F677 HydrophobicContact CG1-CE1 3.62Å; V631-F677 HydrophobicContact CG1-CZ 4.15Å; V631-F677 HydrophobicContact CG2-CE1 4.34Å; V631-F677 HydrophobicContact CG2-CZ 4.25Å
632P91.8Very high88.3Confident35 Ų3574.8 Ų74.823%0.22741%0.411CS..  trans-82.96717634.2-34.4000110.1Y619 K630 S634 K635 F636 L685Y619-P632 VanDerWaalsContact CE1-CD 3.47Å; Y619-P632 HydrophobicContact CE1-CG 4.41Å; Y619-P632 HydrophobicContact CE2-CG 4.28Å; Y619-P632 VanDerWaalsContact OH-CD 3.32Å; Y619-P632 WeakPolarHBondContact OH-CD 3.22Å; Y619-P632 WeakPolarHBondContact OH-CG 3.38Å; K630-P632 WeakPolarHBondContact O-CD 3.3Å; P632-S634 PolarHBondContact O-N 3.45Å; P632-K635 HydrophobicContact CB-CB 4.44Å; P632-K635 HydrophobicContact CB-CG 4.27Å; P632-K635 PolarHBondContact O-N 3.41Å; P632-F636 HydrophobicContact CG-CD2 4.27Å; P632-F636 HydrophobicContact CG-CE2 4.08Å; P632-L685 HydrophobicContact CG-CD2 3.83Å
633Y91.8Very high88.3Confident23 Ų2373.1 Ų73.19%0.0940%0.397CS..Hα-helixtrans-45-30-176.3-63.1-85.9000115E612 F615 V631 Q637 L654 R655 R656 P657E612-Y633 VanDerWaalsContact OE1-CE2 3.3Å; E612-Y633 WeakPolarHBondContact OE1-CE2 2.99Å; E612-Y633 PolarHBondContact OE1-OH 3.49Å; F615-Y633 HydrophobicContact CD2-CE1 4.01Å; V631-Y633 HydrophobicContact CB-CD2 4.18Å; V631-Y633 HydrophobicContact CB-CE1 4.27Å; V631-Y633 HydrophobicContact CB-CE2 3.85Å; V631-Y633 HydrophobicContact CG1-CD1 4.13Å; V631-Y633 HydrophobicContact CG1-CD2 4.4Å; V631-Y633 HydrophobicContact CG1-CE1 4.14Å; V631-Y633 HydrophobicContact CG1-CE2 4.42Å; V631-Y633 HydrophobicContact CG1-CG 4.26Å; V631-Y633 WeakPolarHBondContact O-CD2 3.36Å; V631-Y633 WeakPolarHBondContact O-CE2 3.3Å; V631-Y633 PolarHBondContact O-N 2.95Å; Y633-Q637 WeakPolarHBondContact O-CB 3.19Å; Y633-Q637 PolarHBondContact O-N 2.97Å; Y633-Q637 VanDerWaalsContact O-N 3.09Å; Y633-L654 HydrophobicContact CD1-CD2 4.48Å; Y633-L654 HydrophobicContact CD1-CG 4.25Å; Y633-L654 HydrophobicContact CE1-CD1 4.4Å; Y633-R655 WeakPolarHBondContact CE1-O 3.35Å; Y633-R656 HydrophobicContact CD1-CG 4.26Å; Y633-R656 HydrophobicContact CD2-CG 3.62Å; Y633-R656 HydrophobicContact CE1-CG 4.48Å; Y633-R656 HydrophobicContact CE2-CG 3.87Å; Y633-R656 HydrophobicContact CG-CG 3.83Å; Y633-P657 WeakPolarHBondContact OH-CD 3.13Å
634S87.9Confident88.4Confident78 Ų7873.4 Ų73.455%0.54540%0.395SS..Hα-helixtrans-74.4-29.1178.4-161.10000114P632 M638P632-S634 PolarHBondContact O-N 3.45Å; S634-M638 WeakPolarHBondContact O-CB 3.37Å; S634-M638 VanDerWaalsContact O-CG 3.22Å; S634-M638 WeakPolarHBondContact O-CG 3.12Å; S634-M638 PolarHBondContact O-N 3.17Å
635K88.4Confident88.7Confident56 Ų5671.2 Ų71.224%0.24337%0.367CS..Hα-helixtrans-73-46.9175.9-65.7-97.5-167.7160.10109.4P632 Q637 M638 Y639 L643 L684 L685 E687P632-K635 HydrophobicContact CB-CB 4.44Å; P632-K635 HydrophobicContact CB-CG 4.27Å; P632-K635 PolarHBondContact O-N 3.41Å; K635-Q637 VanDerWaalsContact C-N 3.27Å; K635-Q637 PolarHBondContact O-N 3.33Å; K635-M638 PolarHBondContact O-N 2.98Å; K635-Y639 HydrophobicContact CD-CE2 4.47Å; K635-Y639 WeakPolarHBondContact O-CD2 3.25Å; K635-Y639 PolarHBondContact O-N 3.41Å; K635-L643 HydrophobicContact CB-CD1 3.83Å; K635-L684 VanDerWaalsContact CD-O 3.31Å; K635-L684 WeakPolarHBondContact CD-O 3.47Å; K635-L684 WeakPolarHBondContact CE-O 3.33Å; K635-L684 PolarHBondContact NZ-O 2.96Å; K635-L685 HydrophobicContact CB-CD2 4.17Å; K635-L685 HydrophobicContact CG-CD2 4.41Å; K635-E687 IonicContact NZ-OE2 2.68Å; K635-E687 PolarHBondContact NZ-OE2 3.38Å
636F91.2Very high89Confident9 Ų969.8 Ų69.84%0.03936%0.362CS..Hα-helixtrans-56.1-37.5171.6-75.6-98000113.1Y619 P632 M638 L643 V645 L654 F677 I679Y619-F636 AromaticContact CD2-CE2 3.96Å; Y619-F636 HydrophobicContact CD2-CE2 3.96Å; Y619-F636 AromaticContact CD2-CZ 3.86Å; Y619-F636 HydrophobicContact CD2-CZ 3.86Å; Y619-F636 AromaticContact CE2-CE2 3.58Å; Y619-F636 HydrophobicContact CE2-CE2 3.58Å; Y619-F636 AromaticContact CE2-CZ 3.75Å; Y619-F636 HydrophobicContact CE2-CZ 3.75Å; P632-F636 HydrophobicContact CG-CD2 4.27Å; P632-F636 HydrophobicContact CG-CE2 4.08Å; F636-M638 VanDerWaalsContact C-N 3.33Å; F636-M638 PolarHBondContact O-N 3.16Å; F636-L643 HydrophobicContact CB-CB 4.49Å; F636-L643 HydrophobicContact CD1-CB 3.76Å; F636-L643 WeakPolarHBondContact CD1-O 3.44Å; F636-L643 HydrophobicContact CD2-CB 4.39Å; F636-L643 HydrophobicContact CE1-CB 3.89Å; F636-L643 HydrophobicContact CG-CB 3.99Å; F636-L643 HydrophobicContact CZ-CB 4.26Å; F636-L643 HydrophobicContact CZ-CD2 4.49Å; F636-V645 HydrophobicContact CD1-CG2 4.27Å; F636-V645 HydrophobicContact CE1-CG2 4.34Å; F636-L654 HydrophobicContact CB-CD2 3.72Å; F636-L654 HydrophobicContact CD1-CD2 4.01Å; F636-L654 HydrophobicContact CG-CD2 3.9Å; F636-F677 HydrophobicContact CD1-CD1 4.35Å; F636-F677 AromaticContact CE1-CD1 3.64Å; F636-F677 HydrophobicContact CE1-CD1 3.64Å; F636-F677 HydrophobicContact CE1-CE1 4.27Å; F636-F677 HydrophobicContact CE2-CD1 4.4Å; F636-F677 AromaticContact CZ-CD1 3.68Å; F636-F677 HydrophobicContact CZ-CD1 3.68Å; F636-F677 HydrophobicContact CZ-CE1 4.32Å; F636-I679 HydrophobicContact CZ-CG1 4.21Å
637Q88.1Confident89.4Confident109 Ų10965 Ų6551%0.50934%0.336SS..THydrogen-bonded Turntrans-82.9-4.4178.2-151.4-128-7800114.8Y633 K635Y633-Q637 WeakPolarHBondContact O-CB 3.19Å; Y633-Q637 PolarHBondContact O-N 2.97Å; Y633-Q637 VanDerWaalsContact O-N 3.09Å; K635-Q637 VanDerWaalsContact C-N 3.27Å; K635-Q637 PolarHBondContact O-N 3.33Å
638M86.3Confident89.8Confident109 Ų10959.1 Ų59.154%0.53731%0.31SS..THydrogen-bonded Turntrans-104.7-29.2173.6-74.4-175-44.500112.7S634 K635 F636 P640S634-M638 WeakPolarHBondContact O-CB 3.37Å; S634-M638 VanDerWaalsContact O-CG 3.22Å; S634-M638 WeakPolarHBondContact O-CG 3.12Å; S634-M638 PolarHBondContact O-N 3.17Å; K635-M638 PolarHBondContact O-N 2.98Å; F636-M638 VanDerWaalsContact C-N 3.33Å; F636-M638 PolarHBondContact O-N 3.16Å; M638-P640 VanDerWaalsContact C-CD 3.4Å; M638-P640 WeakPolarHBondContact O-CD 3.25Å
639Y86.4Confident89.9Confident91 Ų9156.3 Ų56.336%0.35729%0.291SS..  trans-123.859.3-176.8-56.3-70.2000111.7K635 E641 D642 L643 L684K635-Y639 HydrophobicContact CD-CE2 4.47Å; K635-Y639 WeakPolarHBondContact O-CD2 3.25Å; K635-Y639 PolarHBondContact O-N 3.41Å; Y639-E641 PolarHBondContact O-N 3.04Å; Y639-D642 PolarHBondContact O-N 2.94Å; Y639-L643 HydrophobicContact CD2-CD1 4.36Å; Y639-L643 PolarHBondContact O-N 3.32Å; Y639-L684 HydrophobicContact CD1-CD1 4.39Å; Y639-L684 HydrophobicContact CD2-CD1 4.05Å; Y639-L684 HydrophobicContact CE2-CD2 4.31Å; Y639-L684 HydrophobicContact CG-CD1 3.92Å
640P85.5Confident89.5Confident71 Ų7165.1 Ų65.146%0.46133%0.33SS..THydrogen-bonded Turntrans-63.5-23.7-173.727.9-36.4000113.7M638 D642 Y644M638-P640 VanDerWaalsContact C-CD 3.4Å; M638-P640 WeakPolarHBondContact O-CD 3.25Å; P640-D642 VanDerWaalsContact C-N 3.34Å; P640-Y644 WeakPolarHBondContact O-CB 3.44Å
641E85.5Confident88.9Confident136 Ų13659.4 Ų59.464%0.63632%0.323SS*.THydrogen-bonded Turntrans-75.1-26176.3-53.2-47.6130.700112.6Y639 K680Y639-E641 PolarHBondContact O-N 3.04Å; E641-K680 WeakPolarHBondContact O-CD 3.42Å; E641-K680 PolarHBondContact O-NZ 3.45Å
642D87.4Confident88.6Confident25 Ų2559.8 Ų59.813%0.13433%0.325CS..THydrogen-bonded Turntrans-105.2-33.2-172.5-57.1-68.7000113.4Y639 P640 K680 R681 L684Y639-D642 PolarHBondContact O-N 2.94Å; P640-D642 VanDerWaalsContact C-N 3.34Å; D642-K680 PolarHBondContact O-N 2.86Å; D642-R681 HydrophobicContact CB-CB 4.36Å; D642-R681 VanDerWaalsContact CG-NE 3.3Å; D642-R681 IonicContact OD1-CZ 2.58Å; D642-R681 VanDerWaalsContact OD1-CZ 3.3Å; D642-R681 IonicContact OD1-NE 3.98Å; D642-R681 PolarHBondContact OD1-NE 2.73Å; D642-R681 IonicContact OD1-NH2 3.27Å; D642-R681 PolarHBondContact OD1-NH2 3.12Å; D642-R681 IonicContact OD2-CZ 3.91Å; D642-R681 IonicContact OD2-NE 3.94Å; D642-R681 IonicContact OD2-NH2 3.02Å; D642-R681 PolarHBondContact OD2-NH2 3.3Å; D642-L684 HydrophobicContact CB-CD1 3.82Å
643L90.6Very high88.5Confident1 Ų161.5 Ų61.51%0.00534%0.338CS..EExtended strand (participates in β ladder)trans-133.192.4-171.7-61.5179.7000108.2K635 F636 Y639 F678 I679 L684 L685K635-L643 HydrophobicContact CB-CD1 3.83Å; F636-L643 HydrophobicContact CB-CB 4.49Å; F636-L643 HydrophobicContact CD1-CB 3.76Å; F636-L643 WeakPolarHBondContact CD1-O 3.44Å; F636-L643 HydrophobicContact CD2-CB 4.39Å; F636-L643 HydrophobicContact CE1-CB 3.89Å; F636-L643 HydrophobicContact CG-CB 3.99Å; F636-L643 HydrophobicContact CZ-CB 4.26Å; F636-L643 HydrophobicContact CZ-CD2 4.49Å; Y639-L643 HydrophobicContact CD2-CD1 4.36Å; Y639-L643 PolarHBondContact O-N 3.32Å; L643-F678 WeakPolarHBondContact CA-O 3.49Å; L643-I679 HydrophobicContact CD2-CB 4.25Å; L643-I679 HydrophobicContact CD2-CG1 4.23Å; L643-I679 HydrophobicContact CD2-CG2 3.81Å; L643-L684 HydrophobicContact CD1-CB 4.1Å; L643-L684 HydrophobicContact CD1-CD1 4.1Å; L643-L684 HydrophobicContact CG-CD1 4.16Å; L643-L685 HydrophobicContact CD1-CD2 3.9Å; L643-L685 HydrophobicContact CD1-CG 4.46Å; L643-L685 HydrophobicContact CD2-CD1 4.05Å; L643-L685 HydrophobicContact CD2-CD2 4.44Å; L643-L685 HydrophobicContact CD2-CG 4.27Å
644Y90.6Very high88.5Confident72 Ų7261.8 Ų61.828%0.28234%0.341SS..EExtended strand (participates in β ladder)trans-134.9174.3-176.557.8-81.4000112.6P640 T646 F678 K680P640-Y644 WeakPolarHBondContact O-CB 3.44Å; Y644-T646 HydrophobicContact CD2-CG2 4.02Å; Y644-T646 HydrophobicContact CE2-CG2 3.97Å; Y644-F678 HydrophobicContact CD1-CB 4.27Å; Y644-F678 HydrophobicContact CD2-CB 3.98Å; Y644-F678 HydrophobicContact CD2-CD2 4.45Å; Y644-F678 HydrophobicContact CD2-CG 4.48Å; Y644-F678 HydrophobicContact CE1-CB 3.88Å; Y644-F678 HydrophobicContact CE2-CB 3.59Å; Y644-F678 AromaticContact CE2-CD2 4Å; Y644-F678 HydrophobicContact CE2-CD2 4Å; Y644-F678 AromaticContact CE2-CG 3.82Å; Y644-F678 HydrophobicContact CE2-CG 3.82Å; Y644-F678 HydrophobicContact CG-CB 4.3Å; Y644-F678 PolarHBondContact N-O 2.99Å; Y644-F678 VanDerWaalsContact N-O 3.14Å; Y644-F678 PolarHBondContact O-N 3.19Å; Y644-K680 HydrophobicContact CE1-CD 4.18Å; Y644-K680 HydrophobicContact CE1-CG 4.27Å; Y644-K680 WeakPolarHBondContact OH-CE 3.32Å
645V93.9Very high88.6Confident23 Ų2362.9 Ų62.914%0.13933%0.333CS..EExtended strand (participates in β ladder)trans-136.1126.3-179.11800000108.5F636 L648 L654 I675 Q676 F677F636-V645 HydrophobicContact CD1-CG2 4.27Å; F636-V645 HydrophobicContact CE1-CG2 4.34Å; V645-L648 HydrophobicContact CB-CD1 4.05Å; V645-L648 HydrophobicContact CG1-CD1 3.84Å; V645-L648 HydrophobicContact CG1-CG 3.92Å; V645-L654 HydrophobicContact CG2-CD1 4.09Å; V645-L654 HydrophobicContact CG2-CD2 3.77Å; V645-L654 HydrophobicContact CG2-CG 4.37Å; V645-I675 HydrophobicContact CG1-CG2 3.79Å; V645-Q676 VanDerWaalsContact CA-O 3.3Å; V645-Q676 WeakPolarHBondContact CA-O 3.2Å; V645-Q676 WeakPolarHBondContact CG1-O 3.23Å; V645-F677 HydrophobicContact CG1-CD2 4.26Å; V645-F677 HydrophobicContact CG1-CE2 4.21Å; V645-F677 HydrophobicContact CG2-CB 4.42Å; V645-F677 HydrophobicContact CG2-CD1 3.4Å; V645-F677 HydrophobicContact CG2-CD2 3.96Å; V645-F677 HydrophobicContact CG2-CE1 3.44Å; V645-F677 VanDerWaalsContact CG2-CE1 3.44Å; V645-F677 HydrophobicContact CG2-CE2 4Å; V645-F677 HydrophobicContact CG2-CG 3.66Å; V645-F677 HydrophobicContact CG2-CZ 3.75Å
646T91.8Very high88.8Confident58 Ų5867.6 Ų67.636%0.35635%0.349SS..EExtended strand (participates in β ladder)trans-99.7169175.160.10000110.6Y644 L648 I675 Q676 F678Y644-T646 HydrophobicContact CD2-CG2 4.02Å; Y644-T646 HydrophobicContact CE2-CG2 3.97Å; T646-L648 PolarHBondContact O-N 2.95Å; T646-I675 WeakPolarHBondContact O-CA 3.42Å; T646-Q676 PolarHBondContact N-O 2.72Å; T646-Q676 PolarHBondContact O-N 2.73Å; T646-F678 HydrophobicContact CG2-CD2 4.06Å; T646-F678 HydrophobicContact CG2-CE2 4.08Å; T646-F678 WeakPolarHBondContact OG1-CE2 3.21Å
647G89.8Confident88.7Confident28 Ų2867.1 Ų67.129%0.28935%0.347SS..SBendtrans70.18.4177.300000115.5V671 Q674 I675G647-V671 VanDerWaalsContact O-CG2 3.24Å; G647-V671 WeakPolarHBondContact O-CG2 3.42Å; G647-Q674 WeakPolarHBondContact CA-O 3.24Å; G647-I675 VanDerWaalsContact O-CG1 3.32Å; G647-I675 WeakPolarHBondContact O-CG1 3.45Å
648L92.4Very high88.8Confident32 Ų3267.1 Ų67.117%0.16835%0.351CS..PPolyproline II helixtrans-69.6146.1166-74.2168.6000110F615 V645 T646 L654 I668 I675F615-L648 HydrophobicContact CE1-CD2 3.94Å; F615-L648 HydrophobicContact CZ-CD2 3.93Å; V645-L648 HydrophobicContact CB-CD1 4.05Å; V645-L648 HydrophobicContact CG1-CD1 3.84Å; V645-L648 HydrophobicContact CG1-CG 3.92Å; T646-L648 PolarHBondContact O-N 2.95Å; L648-L654 HydrophobicContact CD1-CB 4.06Å; L648-L654 HydrophobicContact CD1-CD1 4.38Å; L648-I668 HydrophobicContact CD2-CG2 4.44Å; L648-I675 HydrophobicContact CD2-CD1 3.93Å; L648-I675 HydrophobicContact CD2-CG1 4.24Å
649P90.4Very high88.8Confident20 Ų2066.2 Ų66.213%0.1335%0.354CS..PPolyproline II helixtrans-60.7151.2178.5-20.530.9000112.7G651 I652 K667 I668 V671P649-G651 PolarHBondContact O-N 3.39Å; P649-I652 HydrophobicContact CB-CD1 3.87Å; P649-I652 HydrophobicContact CB-CG1 4.23Å; P649-I652 HydrophobicContact CG-CD1 4Å; P649-I652 VanDerWaalsContact O-CB 3.29Å; P649-I652 WeakPolarHBondContact O-CB 3.11Å; P649-I652 PolarHBondContact O-N 3.23Å; P649-K667 HydrophobicContact CB-CB 4.36Å; P649-K667 HydrophobicContact CG-CB 4.06Å; P649-K667 WeakPolarHBondContact CG-O 3.36Å; P649-I668 HydrophobicContact CG-CG1 4.32Å; P649-V671 HydrophobicContact CG-CG2 3.65Å
650E82.3Confident89Confident200 Ų20062.7 Ų62.794%0.93534%0.341SS*.THydrogen-bonded Turntrans-52.6135.8179.6-166.6177.4-166.300112.5I652E650-I652 VanDerWaalsContact C-N 3.28Å; E650-I652 PolarHBondContact O-N 2.63Å
651G80.4Confident89.1Confident65 Ų6561.2 Ų61.267%0.6734%0.339SS*.THydrogen-bonded Turntrans69.317.3-175.100000115.3P649 K664P649-G651 PolarHBondContact O-N 3.39Å; G651-K664 PolarHBondContact O-NZ 2.87Å
652I88.2Confident89.2Confident14 Ų1455.9 Ų55.97%0.07232%0.318CS..  trans-119.892.5174.9-51.5-169.2000111.3P649 E650 F660 K664 I668P649-I652 HydrophobicContact CB-CD1 3.87Å; P649-I652 HydrophobicContact CB-CG1 4.23Å; P649-I652 HydrophobicContact CG-CD1 4Å; P649-I652 VanDerWaalsContact O-CB 3.29Å; P649-I652 WeakPolarHBondContact O-CB 3.11Å; P649-I652 PolarHBondContact O-N 3.23Å; E650-I652 VanDerWaalsContact C-N 3.28Å; E650-I652 PolarHBondContact O-N 2.63Å; I652-F660 HydrophobicContact CG2-CE1 3.74Å; I652-F660 HydrophobicContact CG2-CE2 4.49Å; I652-F660 HydrophobicContact CG2-CZ 3.66Å; I652-K664 HydrophobicContact CD1-CB 4.03Å; I652-K664 HydrophobicContact CD1-CD 4.11Å; I652-K664 HydrophobicContact CD1-CG 4.06Å; I652-K664 HydrophobicContact CG1-CD 4.22Å; I652-I668 HydrophobicContact CD1-CD1 4.38Å; I652-I668 HydrophobicContact CD1-CG1 4.02Å; I652-I668 HydrophobicContact CG2-CD1 3.97Å; I652-I668 HydrophobicContact CG2-CG1 4.18Å
653S89.6Confident89.3Confident72 Ų7258.3 Ų58.350%0.50334%0.341SS..  trans-65147.5165.967.90000111.6R655S653-R655 PolarHBondContact O-N 2.6Å; S653-R655 VanDerWaalsContact O-N 3.17Å
654L91.9Very high89.3Confident29 Ų2963.1 Ų63.115%0.15236%0.362CS..SBendtrans-55120.6172.1-174.473000111.6F615 Y633 F636 V645 L648 F677F615-L654 HydrophobicContact CD2-CD1 4.31Å; F615-L654 HydrophobicContact CE2-CD1 4.03Å; F615-L654 HydrophobicContact CZ-CD1 4.18Å; Y633-L654 HydrophobicContact CD1-CD2 4.48Å; Y633-L654 HydrophobicContact CD1-CG 4.25Å; Y633-L654 HydrophobicContact CE1-CD1 4.4Å; F636-L654 HydrophobicContact CB-CD2 3.72Å; F636-L654 HydrophobicContact CD1-CD2 4.01Å; F636-L654 HydrophobicContact CG-CD2 3.9Å; V645-L654 HydrophobicContact CG2-CD1 4.09Å; V645-L654 HydrophobicContact CG2-CD2 3.77Å; V645-L654 HydrophobicContact CG2-CG 4.37Å; L648-L654 HydrophobicContact CD1-CB 4.06Å; L648-L654 HydrophobicContact CD1-CD1 4.38Å; L654-F677 HydrophobicContact CD1-CE1 4.41Å; L654-F677 HydrophobicContact CD1-CZ 4.07Å; L654-F677 HydrophobicContact CD2-CE1 4.16Å
655R90.3Very high89.5Confident101 Ų10159.7 Ų59.738%0.38135%0.348SS..  trans-146164.4176.3-63.6-67.3176.4171.5-12.8109Y633 S653 C659 F660Y633-R655 WeakPolarHBondContact CE1-O 3.35Å; S653-R655 PolarHBondContact O-N 2.6Å; S653-R655 VanDerWaalsContact O-N 3.17Å; R655-C659 HydrophobicContact CB-CB 4.02Å; R655-F660 HydrophobicContact CB-CE1 4.07Å; R655-F660 HydrophobicContact CB-CE2 4.35Å; R655-F660 HydrophobicContact CB-CZ 3.7Å; R655-F660 HydrophobicContact CG-CE1 4.45Å; R655-F660 HydrophobicContact CG-CZ 4.39Å
656R91.9Very high89.5Confident154 Ų15464.4 Ų64.458%0.58136%0.364SS*.  trans-58.3139.1169.9-66.5-174.6-177-1681.6109.8Y633 N658 C659Y633-R656 HydrophobicContact CD1-CG 4.26Å; Y633-R656 HydrophobicContact CD2-CG 3.62Å; Y633-R656 HydrophobicContact CE1-CG 4.48Å; Y633-R656 HydrophobicContact CE2-CG 3.87Å; Y633-R656 HydrophobicContact CG-CG 3.83Å; R656-N658 PolarHBondContact O-N 3.19Å; R656-C659 VanDerWaalsContact O-CB 3.26Å; R656-C659 WeakPolarHBondContact O-CB 3.42Å; R656-C659 PolarHBondContact O-N 3.21Å
657P90.3Very high89.6Confident0 Ų068.4 Ų68.40%038%0.376CS..G310 helixtrans-50.2-32.7177.4-31.235.9000115R608 V611 E612 F615 Y633 C659 F660 L665R608-P657 HydrophobicContact CB-CB 4.19Å; R608-P657 HydrophobicContact CG-CB 4.29Å; V611-P657 HydrophobicContact CB-CB 4.28Å; V611-P657 HydrophobicContact CB-CG 4.14Å; V611-P657 HydrophobicContact CG1-CB 4.39Å; V611-P657 HydrophobicContact CG1-CG 3.95Å; E612-P657 HydrophobicContact CB-CG 3.91Å; E612-P657 VanDerWaalsContact OE2-CD 3.31Å; E612-P657 WeakPolarHBondContact OE2-CD 3.46Å; F615-P657 HydrophobicContact CD2-CG 4.36Å; Y633-P657 WeakPolarHBondContact OH-CD 3.13Å; P657-C659 PolarHBondContact O-N 2.95Å; P657-C659 VanDerWaalsContact O-N 3.16Å; P657-F660 PolarHBondContact O-N 3.16Å; P657-L665 HydrophobicContact CB-CD2 4.17Å
658N88.8Confident89.8Confident109 Ų10967 Ų6758%0.58336%0.362SS*.G310 helixtrans-61.4-19.7175.1-68.4-10.9000114.1R608 R656 F660R608-N658 WeakPolarHBondContact CD-OD1 3.48Å; R608-N658 PolarHBondContact NH2-O 3.24Å; R656-N658 PolarHBondContact O-N 3.19Å; N658-F660 VanDerWaalsContact C-N 3.27Å
659C88.1Confident89.9Confident90 Ų9067.4 Ų67.461%0.60836%0.364SS*.G310 helixtrans-80-5.4174-59.90000113.4R655 R656 P657R655-C659 HydrophobicContact CB-CB 4.02Å; R656-C659 VanDerWaalsContact O-CB 3.26Å; R656-C659 WeakPolarHBondContact O-CB 3.42Å; R656-C659 PolarHBondContact O-N 3.21Å; P657-C659 PolarHBondContact O-N 2.95Å; P657-C659 VanDerWaalsContact O-N 3.16Å
660F88.8Confident90.1Very high17 Ų1770.4 Ų70.48%0.07539%0.391CS..  trans-108.9150.2-179.3-54.8-49.1000112R608 I652 R655 P657 N658 K664 L665 I668R608-F660 PolarHBondContact NE-O 3.21Å; R608-F660 PolarHBondContact NH2-O 3.37Å; I652-F660 HydrophobicContact CG2-CE1 3.74Å; I652-F660 HydrophobicContact CG2-CE2 4.49Å; I652-F660 HydrophobicContact CG2-CZ 3.66Å; R655-F660 HydrophobicContact CB-CE1 4.07Å; R655-F660 HydrophobicContact CB-CE2 4.35Å; R655-F660 HydrophobicContact CB-CZ 3.7Å; R655-F660 HydrophobicContact CG-CE1 4.45Å; R655-F660 HydrophobicContact CG-CZ 4.39Å; P657-F660 PolarHBondContact O-N 3.16Å; N658-F660 VanDerWaalsContact C-N 3.27Å; F660-K664 HydrophobicContact CB-CB 4.15Å; F660-K664 HydrophobicContact CD1-CB 4.39Å; F660-K664 HydrophobicContact CD1-CD 4.39Å; F660-K664 HydrophobicContact CG-CB 4.45Å; F660-L665 HydrophobicContact CB-CD2 3.82Å; F660-L665 HydrophobicContact CB-CG 3.78Å; F660-L665 HydrophobicContact CD2-CD2 4.1Å; F660-L665 HydrophobicContact CG-CD2 4.48Å; F660-I668 HydrophobicContact CD2-CD1 3.51Å; F660-I668 HydrophobicContact CE2-CD1 3.45Å; F660-I668 VanDerWaalsContact CE2-CD1 3.45Å; F660-I668 HydrophobicContact CG-CD1 4.17Å; F660-I668 HydrophobicContact CZ-CD1 4.04Å
661G88.4Confident90.7Very high40 Ų4062.3 Ų62.341%0.41236%0.355SS..  trans-96.7169.4167.400000111.9A663 K664 L665G661-A663 VanDerWaalsContact C-N 3.32Å; G661-A663 PolarHBondContact O-N 3.04Å; G661-A663 VanDerWaalsContact O-N 3.12Å; G661-K664 PolarHBondContact O-N 3.46Å; G661-L665 PolarHBondContact O-N 2.95Å; G661-L665 VanDerWaalsContact O-N 3.08Å
662A87.3Confident91.3Very high24 Ų2461.3 Ų61.320%0.19834%0.338CS..Hα-helixtrans-45.8-47.8-170.700000114.6I604 L607 L665 R666I604-A662 HydrophobicContact CD1-CB 4.25Å; I604-A662 HydrophobicContact CG1-CB 3.84Å; L607-A662 HydrophobicContact CD1-CB 4.32Å; A662-L665 PolarHBondContact O-N 2.96Å; A662-R666 WeakPolarHBondContact O-CG 3.44Å; A662-R666 PolarHBondContact O-N 3.41Å
663A89.3Confident91.5Very high75 Ų7565.6 Ų65.662%0.6237%0.369SS*.Hα-helixtrans-64.9-41-178.200000113.2G661 K667G661-A663 VanDerWaalsContact C-N 3.32Å; G661-A663 PolarHBondContact O-N 3.04Å; G661-A663 VanDerWaalsContact O-N 3.12Å; A663-K667 PolarHBondContact O-N 3.46Å; A663-K667 VanDerWaalsContact O-N 3.07Å
664K91.9Very high91.6Very high102 Ų10268 Ų6844%0.44337%0.372SS..Hα-helixtrans-70.3-38.6176.8-73.4-159.3174.3-1590111.5G651 I652 F660 G661 K667 I668G651-K664 PolarHBondContact O-NZ 2.87Å; I652-K664 HydrophobicContact CD1-CB 4.03Å; I652-K664 HydrophobicContact CD1-CD 4.11Å; I652-K664 HydrophobicContact CD1-CG 4.06Å; I652-K664 HydrophobicContact CG1-CD 4.22Å; F660-K664 HydrophobicContact CB-CB 4.15Å; F660-K664 HydrophobicContact CD1-CB 4.39Å; F660-K664 HydrophobicContact CD1-CD 4.39Å; F660-K664 HydrophobicContact CG-CB 4.45Å; G661-K664 PolarHBondContact O-N 3.46Å; K664-K667 PolarHBondContact O-N 2.84Å; K664-I668 WeakPolarHBondContact O-CD1 3.44Å; K664-I668 VanDerWaalsContact O-CG1 3.25Å; K664-I668 WeakPolarHBondContact O-CG1 3.24Å; K664-I668 PolarHBondContact O-N 2.88Å
665L93.8Very high91.8Very high0 Ų066.7 Ų66.70%037%0.365CS..Hα-helixtrans-61.2-46.2174.8-66.3161.3000111.7L607 R608 V611 P657 F660 G661 A662 K667 I668 L669L607-L665 HydrophobicContact CB-CB 3.96Å; L607-L665 HydrophobicContact CB-CD1 3.92Å; L607-L665 HydrophobicContact CB-CG 4.5Å; R608-L665 HydrophobicContact CG-CD1 3.6Å; R608-L665 HydrophobicContact CG-CD2 4.11Å; V611-L665 HydrophobicContact CB-CD2 4.09Å; V611-L665 HydrophobicContact CG2-CB 4.35Å; V611-L665 HydrophobicContact CG2-CD2 3.8Å; P657-L665 HydrophobicContact CB-CD2 4.17Å; F660-L665 HydrophobicContact CB-CD2 3.82Å; F660-L665 HydrophobicContact CB-CG 3.78Å; F660-L665 HydrophobicContact CD2-CD2 4.1Å; F660-L665 HydrophobicContact CG-CD2 4.48Å; G661-L665 PolarHBondContact O-N 2.95Å; G661-L665 VanDerWaalsContact O-N 3.08Å; A662-L665 PolarHBondContact O-N 2.96Å; L665-K667 PolarHBondContact O-N 3.1Å; L665-I668 PolarHBondContact O-N 3.45Å; L665-L669 WeakPolarHBondContact O-CG 3.41Å; L665-L669 PolarHBondContact O-N 2.83Å
666R93.2Very high92Very high123 Ų12366.9 Ų66.946%0.46437%0.37SS..Hα-helixtrans-59.5-44.4174.6-75.9-179.6169.9108.5-0.3112.4M603 L607 A662 I668 L669 A670M603-R666 PolarHBondContact SD-NH2 3.29Å; L607-R666 HydrophobicContact CD1-CG 4.05Å; L607-R666 HydrophobicContact CD2-CG 3.86Å; A662-R666 WeakPolarHBondContact O-CG 3.44Å; A662-R666 PolarHBondContact O-N 3.41Å; R666-I668 VanDerWaalsContact C-N 3.32Å; R666-I668 PolarHBondContact O-N 2.92Å; R666-L669 PolarHBondContact O-N 3.23Å; R666-A670 WeakPolarHBondContact O-CB 3.37Å; R666-A670 PolarHBondContact O-N 2.95Å
667K94.1Very high92.1Very high141 Ų14159.7 Ų59.761%0.61334%0.343SS*.Hα-helixtrans-60.5-38.4175.2-75.2-164.9174.6-161.80112.8P649 A663 K664 L665 A670 V671P649-K667 HydrophobicContact CB-CB 4.36Å; P649-K667 HydrophobicContact CG-CB 4.06Å; P649-K667 WeakPolarHBondContact CG-O 3.36Å; A663-K667 PolarHBondContact O-N 3.46Å; A663-K667 VanDerWaalsContact O-N 3.07Å; K664-K667 PolarHBondContact O-N 2.84Å; L665-K667 PolarHBondContact O-N 3.1Å; K667-A670 PolarHBondContact O-N 3.31Å; K667-V671 PolarHBondContact O-N 3.05Å
668I94.7Very high92.2Very high0 Ų063 Ų630%036%0.358CS..Hα-helixtrans-66.5-42.7176.4-64.8159.9000111.2V611 F615 L648 P649 I652 F660 K664 L665 R666 A670 V671 S672 I675V611-I668 HydrophobicContact CG1-CD1 4.44Å; V611-I668 HydrophobicContact CG1-CG2 3.74Å; V611-I668 HydrophobicContact CG2-CB 4.38Å; V611-I668 HydrophobicContact CG2-CG2 4.21Å; F615-I668 HydrophobicContact CE1-CG2 3.76Å; F615-I668 HydrophobicContact CZ-CG2 3.79Å; L648-I668 HydrophobicContact CD2-CG2 4.44Å; P649-I668 HydrophobicContact CG-CG1 4.32Å; I652-I668 HydrophobicContact CD1-CD1 4.38Å; I652-I668 HydrophobicContact CD1-CG1 4.02Å; I652-I668 HydrophobicContact CG2-CD1 3.97Å; I652-I668 HydrophobicContact CG2-CG1 4.18Å; F660-I668 HydrophobicContact CD2-CD1 3.51Å; F660-I668 HydrophobicContact CE2-CD1 3.45Å; F660-I668 VanDerWaalsContact CE2-CD1 3.45Å; F660-I668 HydrophobicContact CG-CD1 4.17Å; F660-I668 HydrophobicContact CZ-CD1 4.04Å; K664-I668 WeakPolarHBondContact O-CD1 3.44Å; K664-I668 VanDerWaalsContact O-CG1 3.25Å; K664-I668 WeakPolarHBondContact O-CG1 3.24Å; K664-I668 PolarHBondContact O-N 2.88Å; L665-I668 PolarHBondContact O-N 3.45Å; R666-I668 VanDerWaalsContact C-N 3.32Å; R666-I668 PolarHBondContact O-N 2.92Å; I668-A670 VanDerWaalsContact C-N 3.35Å; I668-V671 PolarHBondContact O-N 3.35Å; I668-S672 PolarHBondContact O-N 3.37Å; I668-I675 HydrophobicContact CG2-CD1 3.69Å; I668-I675 WeakPolarHBondContact O-CD1 3.37Å
669L94.3Very high92.4Very high40 Ų4059.5 Ų59.521%0.20934%0.339CS..Hα-helixtrans-67.2-34.4177.1-66.2174.3000112.6L607 Q610 V611 L614 L665 R666 V671 S672L607-L669 HydrophobicContact CD2-CD1 3.65Å; Q610-L669 HydrophobicContact CB-CD1 3.96Å; Q610-L669 HydrophobicContact CB-CD2 3.96Å; V611-L669 HydrophobicContact CG2-CD1 4.21Å; V611-L669 HydrophobicContact CG2-CD2 3.62Å; V611-L669 HydrophobicContact CG2-CG 3.64Å; L614-L669 HydrophobicContact CD2-CD2 4.1Å; L665-L669 WeakPolarHBondContact O-CG 3.41Å; L665-L669 PolarHBondContact O-N 2.83Å; R666-L669 PolarHBondContact O-N 3.23Å; L669-V671 VanDerWaalsContact C-N 3.28Å; L669-V671 PolarHBondContact O-N 2.54Å; L669-S672 WeakPolarHBondContact O-CB 3.48Å; L669-S672 PolarHBondContact O-N 3.47Å; L669-S672 PolarHBondContact O-OG 3.31Å
670A94.4Very high92.4Very high83 Ų8361.1 Ų61.169%0.68634%0.335SS*.Hα-helixtrans-63.8-30.5178.800000113.5R666 K667 I668R666-A670 WeakPolarHBondContact O-CB 3.37Å; R666-A670 PolarHBondContact O-N 2.95Å; K667-A670 PolarHBondContact O-N 3.31Å; I668-A670 VanDerWaalsContact C-N 3.35Å
671V94.9Very high92.2Very high30 Ų3065.3 Ų65.318%0.18235%0.351CS..THydrogen-bonded Turntrans-102.919.3175.5-55.20000112.9G647 P649 K667 I668 L669 S673 Q674 I675G647-V671 VanDerWaalsContact O-CG2 3.24Å; G647-V671 WeakPolarHBondContact O-CG2 3.42Å; P649-V671 HydrophobicContact CG-CG2 3.65Å; K667-V671 PolarHBondContact O-N 3.05Å; I668-V671 PolarHBondContact O-N 3.35Å; L669-V671 VanDerWaalsContact C-N 3.28Å; L669-V671 PolarHBondContact O-N 2.54Å; V671-S673 PolarHBondContact O-N 3.13Å; V671-Q674 HydrophobicContact CB-CB 4.46Å; V671-Q674 WeakPolarHBondContact O-CB 3.39Å; V671-Q674 PolarHBondContact O-N 3.31Å; V671-I675 HydrophobicContact CG2-CD1 4Å; V671-I675 HydrophobicContact CG2-CG1 4.15Å; V671-I675 PolarHBondContact O-N 3.32Å
672S92.8Very high91.8Very high44 Ų4466.9 Ų66.931%0.30835%0.354SS..THydrogen-bonded Turntrans-55.4-28-172.450.10000115.7L614 I668 L669L614-S672 VanDerWaalsContact CD2-CB 3.44Å; I668-S672 PolarHBondContact O-N 3.37Å; L669-S672 WeakPolarHBondContact O-CB 3.48Å; L669-S672 PolarHBondContact O-N 3.47Å; L669-S672 PolarHBondContact O-OG 3.31Å
673S92.2Very high91.4Very high103 Ų10371.3 Ų71.372%0.7237%0.37SS*.THydrogen-bonded Turntrans-75-22.5174.452.10000114.2V671V671-S673 PolarHBondContact O-N 3.13Å
674Q93.2Very high90.9Very high122 Ų12269.1 Ų69.157%0.5735%0.348SS*.THydrogen-bonded Turntrans-89.9-18.9-178.9-54.8178.36.400112.4G647 V671 Q676G647-Q674 WeakPolarHBondContact CA-O 3.24Å; V671-Q674 HydrophobicContact CB-CB 4.46Å; V671-Q674 WeakPolarHBondContact O-CB 3.39Å; V671-Q674 PolarHBondContact O-N 3.31Å; Q674-Q676 PolarHBondContact O-N 3.19Å
675I95.6Very high90.3Very high2 Ų265.3 Ų65.31%0.0133%0.332CS..  trans-74.7116.9-176.2-66.4169.9000109.9L614 F615 K618 V645 T646 G647 L648 I668 V671 F677L614-I675 HydrophobicContact CD2-CD1 4.29Å; F615-I675 HydrophobicContact CD1-CG2 4.39Å; F615-I675 HydrophobicContact CE1-CD1 4.27Å; F615-I675 HydrophobicContact CE1-CG2 4.25Å; K618-I675 WeakPolarHBondContact CG-O 3.47Å; V645-I675 HydrophobicContact CG1-CG2 3.79Å; T646-I675 WeakPolarHBondContact O-CA 3.42Å; G647-I675 VanDerWaalsContact O-CG1 3.32Å; G647-I675 WeakPolarHBondContact O-CG1 3.45Å; L648-I675 HydrophobicContact CD2-CD1 3.93Å; L648-I675 HydrophobicContact CD2-CG1 4.24Å; I668-I675 HydrophobicContact CG2-CD1 3.69Å; I668-I675 WeakPolarHBondContact O-CD1 3.37Å; V671-I675 HydrophobicContact CG2-CD1 4Å; V671-I675 HydrophobicContact CG2-CG1 4.15Å; V671-I675 PolarHBondContact O-N 3.32Å; I675-F677 HydrophobicContact CG2-CE2 4.39Å
676Q93.4Very high88.5Confident105 Ų10568.2 Ų68.249%0.49136%0.356SS..EExtended strand (participates in β ladder)trans-134.1135.4-179.9-172.7174.614.100110.7V645 T646 Q674 F678V645-Q676 VanDerWaalsContact CA-O 3.3Å; V645-Q676 WeakPolarHBondContact CA-O 3.2Å; V645-Q676 WeakPolarHBondContact CG1-O 3.23Å; T646-Q676 PolarHBondContact N-O 2.72Å; T646-Q676 PolarHBondContact O-N 2.73Å; Q674-Q676 PolarHBondContact O-N 3.19Å; Q676-F678 HydrophobicContact CB-CE2 3.9Å; Q676-F678 HydrophobicContact CG-CD2 4.29Å; Q676-F678 HydrophobicContact CG-CE2 3.67Å; Q676-F678 HydrophobicContact CG-CZ 4.05Å
677F95.2Very high86.5Confident4 Ų470 Ų702%0.01837%0.37CS..EExtended strand (participates in β ladder)trans-89.4136.2175.5-76.7-112.6000109.7F615 K618 Y619 A622 V631 F636 V645 L654 I675F615-F677 HydrophobicContact CB-CE2 4.38Å; F615-F677 HydrophobicContact CB-CZ 4.08Å; F615-F677 HydrophobicContact CD1-CE2 4.29Å; F615-F677 HydrophobicContact CD1-CZ 4.39Å; F615-F677 HydrophobicContact CG-CZ 4.31Å; K618-F677 HydrophobicContact CB-CD2 3.65Å; K618-F677 HydrophobicContact CB-CE2 3.84Å; Y619-F677 AromaticContact CD2-CD1 3.86Å; Y619-F677 HydrophobicContact CD2-CD1 3.86Å; Y619-F677 HydrophobicContact CD2-CE1 4.37Å; Y619-F677 HydrophobicContact CD2-CG 4.48Å; Y619-F677 HydrophobicContact CG-CD1 4.37Å; A622-F677 HydrophobicContact CB-CB 3.6Å; A622-F677 VanDerWaalsContact CB-O 3.26Å; A622-F677 WeakPolarHBondContact CB-O 3.26Å; V631-F677 HydrophobicContact CG1-CE1 3.62Å; V631-F677 HydrophobicContact CG1-CZ 4.15Å; V631-F677 HydrophobicContact CG2-CE1 4.34Å; V631-F677 HydrophobicContact CG2-CZ 4.25Å; F636-F677 HydrophobicContact CD1-CD1 4.35Å; F636-F677 AromaticContact CE1-CD1 3.64Å; F636-F677 HydrophobicContact CE1-CD1 3.64Å; F636-F677 HydrophobicContact CE1-CE1 4.27Å; F636-F677 HydrophobicContact CE2-CD1 4.4Å; F636-F677 AromaticContact CZ-CD1 3.68Å; F636-F677 HydrophobicContact CZ-CD1 3.68Å; F636-F677 HydrophobicContact CZ-CE1 4.32Å; V645-F677 HydrophobicContact CG1-CD2 4.26Å; V645-F677 HydrophobicContact CG1-CE2 4.21Å; V645-F677 HydrophobicContact CG2-CB 4.42Å; V645-F677 HydrophobicContact CG2-CD1 3.4Å; V645-F677 HydrophobicContact CG2-CD2 3.96Å; V645-F677 HydrophobicContact CG2-CE1 3.44Å; V645-F677 VanDerWaalsContact CG2-CE1 3.44Å; V645-F677 HydrophobicContact CG2-CE2 4Å; V645-F677 HydrophobicContact CG2-CG 3.66Å; V645-F677 HydrophobicContact CG2-CZ 3.75Å; L654-F677 HydrophobicContact CD1-CE1 4.41Å; L654-F677 HydrophobicContact CD1-CZ 4.07Å; L654-F677 HydrophobicContact CD2-CE1 4.16Å; I675-F677 HydrophobicContact CG2-CE2 4.39Å
678F91.6Very high84.2Confident70 Ų7072 Ų7231%0.30738%0.381SS..EExtended strand (participates in β ladder)trans-119.7129.2177.8-77.5-89.6000110.2L643 Y644 T646 Q676L643-F678 WeakPolarHBondContact CA-O 3.49Å; Y644-F678 HydrophobicContact CD1-CB 4.27Å; Y644-F678 HydrophobicContact CD2-CB 3.98Å; Y644-F678 HydrophobicContact CD2-CD2 4.45Å; Y644-F678 HydrophobicContact CD2-CG 4.48Å; Y644-F678 HydrophobicContact CE1-CB 3.88Å; Y644-F678 HydrophobicContact CE2-CB 3.59Å; Y644-F678 AromaticContact CE2-CD2 4Å; Y644-F678 HydrophobicContact CE2-CD2 4Å; Y644-F678 AromaticContact CE2-CG 3.82Å; Y644-F678 HydrophobicContact CE2-CG 3.82Å; Y644-F678 HydrophobicContact CG-CB 4.3Å; Y644-F678 PolarHBondContact N-O 2.99Å; Y644-F678 VanDerWaalsContact N-O 3.14Å; Y644-F678 PolarHBondContact O-N 3.19Å; T646-F678 HydrophobicContact CG2-CD2 4.06Å; T646-F678 HydrophobicContact CG2-CE2 4.08Å; T646-F678 WeakPolarHBondContact OG1-CE2 3.21Å; Q676-F678 HydrophobicContact CB-CE2 3.9Å; Q676-F678 HydrophobicContact CG-CD2 4.29Å; Q676-F678 HydrophobicContact CG-CE2 3.67Å; Q676-F678 HydrophobicContact CG-CZ 4.05Å
679I93Very high81.6Confident35 Ų3578 Ų7818%0.17942%0.418CS..EExtended strand (participates in β ladder)trans-128.589.1-173.8-59.1173.9000107.2Y619 A622 L623 F636 L643 P682 L685Y619-I679 HydrophobicContact CD2-CD1 4.24Å; Y619-I679 HydrophobicContact CE2-CD1 3.9Å; A622-I679 HydrophobicContact CB-CD1 4.05Å; L623-I679 HydrophobicContact CD2-CD1 3.62Å; L623-I679 HydrophobicContact CG-CD1 3.95Å; F636-I679 HydrophobicContact CZ-CG1 4.21Å; L643-I679 HydrophobicContact CD2-CB 4.25Å; L643-I679 HydrophobicContact CD2-CG1 4.23Å; L643-I679 HydrophobicContact CD2-CG2 3.81Å; I679-P682 HydrophobicContact CG2-CB 3.91Å; I679-L685 HydrophobicContact CD1-CD1 3.8Å; I679-L685 HydrophobicContact CG1-CD1 4.23Å; I679-L685 HydrophobicContact CG2-CD1 3.76Å
680K88.8Confident78.8Confident124 Ų12486 Ų8654%0.53945%0.451SS..SBendtrans-73.6-30.7177.1-66.2-179.3-175.9146.40112.3E641 D642 Y644E641-K680 WeakPolarHBondContact O-CD 3.42Å; E641-K680 PolarHBondContact O-NZ 3.45Å; D642-K680 PolarHBondContact O-N 2.86Å; Y644-K680 HydrophobicContact CE1-CD 4.18Å; Y644-K680 HydrophobicContact CE1-CG 4.27Å; Y644-K680 WeakPolarHBondContact OH-CE 3.32Å
681R83.3Confident76Confident105 Ų10591 Ų9140%0.39646%0.46SS..  trans-12780.2-178-74-159-77.3166.4-2.1111.4D642 E683 L684D642-R681 HydrophobicContact CB-CB 4.36Å; D642-R681 VanDerWaalsContact CG-NE 3.3Å; D642-R681 IonicContact OD1-CZ 2.58Å; D642-R681 VanDerWaalsContact OD1-CZ 3.3Å; D642-R681 IonicContact OD1-NE 3.98Å; D642-R681 PolarHBondContact OD1-NE 2.73Å; D642-R681 IonicContact OD1-NH2 3.27Å; D642-R681 PolarHBondContact OD1-NH2 3.12Å; D642-R681 IonicContact OD2-CZ 3.91Å; D642-R681 IonicContact OD2-NE 3.94Å; D642-R681 IonicContact OD2-NH2 3.02Å; D642-R681 PolarHBondContact OD2-NH2 3.3Å; R681-E683 WeakPolarHBondContact CA-OE2 3.39Å; R681-E683 WeakPolarHBondContact CB-OE1 3.36Å; R681-E683 WeakPolarHBondContact CB-OE2 3.49Å; R681-E683 WeakPolarHBondContact CD-OE1 3.42Å; R681-E683 VanDerWaalsContact CG-OE1 3.31Å; R681-E683 WeakPolarHBondContact CG-OE1 3.38Å; R681-E683 PolarHBondContact O-N 3.09Å; R681-L684 HydrophobicContact CB-CD1 3.79Å; R681-L684 HydrophobicContact CB-CG 3.94Å; R681-L684 WeakPolarHBondContact O-CB 3.14Å; R681-L684 PolarHBondContact O-N 2.85Å; R681-L684 VanDerWaalsContact O-N 3.16Å
682P80.9Confident73Confident73 Ų7397.5 Ų97.547%0.47449%0.488SS..G310 helixtrans-63.6-21-179.227.1-35.1000113.5I679 L684 L685 A686I679-P682 HydrophobicContact CG2-CB 3.91Å; P682-L684 PolarHBondContact O-N 3.42Å; P682-L685 WeakPolarHBondContact O-CA 3.43Å; P682-L685 WeakPolarHBondContact O-CB 3.48Å; P682-L685 PolarHBondContact O-N 3.14Å; P682-A686 PolarHBondContact O-N 3.34Å
683E79.7Confident69.8Low117 Ų117102.9 Ų102.955%0.54751%0.51SS..G310 helixtrans-60.2-26.1173.371.2-81.8-163.800113R681 L685 A686R681-E683 WeakPolarHBondContact CA-OE2 3.39Å; R681-E683 WeakPolarHBondContact CB-OE1 3.36Å; R681-E683 WeakPolarHBondContact CB-OE2 3.49Å; R681-E683 WeakPolarHBondContact CD-OE1 3.42Å; R681-E683 VanDerWaalsContact CG-OE1 3.31Å; R681-E683 WeakPolarHBondContact CG-OE1 3.38Å; R681-E683 PolarHBondContact O-N 3.09Å; E683-L685 PolarHBondContact O-N 3.48Å; E683-L685 VanDerWaalsContact O-N 3.14Å; E683-A686 PolarHBondContact O-N 3.13Å
684L78.8Confident67.3Low28 Ų28104 Ų10415%0.14752%0.516CS..G310 helixtrans-64.3-15.8172.2-61.3175.5000112.6K635 Y639 D642 L643 R681 P682K635-L684 VanDerWaalsContact CD-O 3.31Å; K635-L684 WeakPolarHBondContact CD-O 3.47Å; K635-L684 WeakPolarHBondContact CE-O 3.33Å; K635-L684 PolarHBondContact NZ-O 2.96Å; Y639-L684 HydrophobicContact CD1-CD1 4.39Å; Y639-L684 HydrophobicContact CD2-CD1 4.05Å; Y639-L684 HydrophobicContact CE2-CD2 4.31Å; Y639-L684 HydrophobicContact CG-CD1 3.92Å; D642-L684 HydrophobicContact CB-CD1 3.82Å; L643-L684 HydrophobicContact CD1-CB 4.1Å; L643-L684 HydrophobicContact CD1-CD1 4.1Å; L643-L684 HydrophobicContact CG-CD1 4.16Å; R681-L684 HydrophobicContact CB-CD1 3.79Å; R681-L684 HydrophobicContact CB-CG 3.94Å; R681-L684 WeakPolarHBondContact O-CB 3.14Å; R681-L684 PolarHBondContact O-N 2.85Å; R681-L684 VanDerWaalsContact O-N 3.16Å; P682-L684 PolarHBondContact O-N 3.42Å
685L77.6Confident64.1Low22 Ų22103.9 Ų103.912%0.11553%0.528CS..THydrogen-bonded Turntrans-112.4-13.5-175.8-53.2174.8000113.4Y619 L623 P632 K635 L643 I679 P682 E683 E687Y619-L685 HydrophobicContact CE2-CD1 4.17Å; L623-L685 HydrophobicContact CD2-CD1 4.16Å; P632-L685 HydrophobicContact CG-CD2 3.83Å; K635-L685 HydrophobicContact CB-CD2 4.17Å; K635-L685 HydrophobicContact CG-CD2 4.41Å; L643-L685 HydrophobicContact CD1-CD2 3.9Å; L643-L685 HydrophobicContact CD1-CG 4.46Å; L643-L685 HydrophobicContact CD2-CD1 4.05Å; L643-L685 HydrophobicContact CD2-CD2 4.44Å; L643-L685 HydrophobicContact CD2-CG 4.27Å; I679-L685 HydrophobicContact CD1-CD1 3.8Å; I679-L685 HydrophobicContact CG1-CD1 4.23Å; I679-L685 HydrophobicContact CG2-CD1 3.76Å; P682-L685 WeakPolarHBondContact O-CA 3.43Å; P682-L685 WeakPolarHBondContact O-CB 3.48Å; P682-L685 PolarHBondContact O-N 3.14Å; E683-L685 PolarHBondContact O-N 3.48Å; E683-L685 VanDerWaalsContact O-N 3.14Å; L685-E687 PolarHBondContact O-N 3Å
686A56.5Low60.9Low61 Ų61112.1 Ų112.150%0.50457%0.569SS.*G310 helixtrans-67.3-1.9-165.700000116.4P682 E683 Q688P682-A686 PolarHBondContact O-N 3.34Å; E683-A686 PolarHBondContact O-N 3.13Å; A686-Q688 PolarHBondContact O-N 3.16Å; A686-Q688 VanDerWaalsContact O-N 3.16Å
687E50.8Low58.1Low162 Ų162112.5 Ų112.576%0.75758%0.58SS**G310 helixtrans-74.90.9-172.7-148.6167.1-165.300114.2K635 L685K635-E687 IonicContact NZ-OE2 2.68Å; K635-E687 PolarHBondContact NZ-OE2 3.38Å; L685-E687 PolarHBondContact O-N 3Å
688Q47.5Very low54.8Low181 Ų181118 Ų11885%0.84661%0.614SS**G310 helixtrans-128.33.1-175.4-65-167.7-21.900115.4A686A686-Q688 PolarHBondContact O-N 3.16Å; A686-Q688 VanDerWaalsContact O-N 3.16Å
689V39.6Very low51.6Low126 Ų126119.6 Ų119.676%0.76463%0.632SS**SBendtrans-101-13-172.7-175.50000113.4
690K34.1Very low48.2Very low208 Ų208126.3 Ų126.390%0.90466%0.663SS**  trans-99.478176-82-168.3170.8-1740112.6
691Q36.8Very low45.3Very low188 Ų188124.5 Ų124.588%0.87967%0.671SS**  trans-151.157.5159.1-153.4169.722.100114
692E31.3Very low42.7Very low167 Ų167127.5 Ų127.578%0.7869%0.69SS**SBendtrans-146.1152.5164.4-138.3174.3-158.100111.4
693M25.4Very low40.7Very low157 Ų157130 Ų13077%0.77371%0.706SS**  trans66.1122.6178.3-49.3-53.8166.900118.1
694P39.8Very low38Very low128 Ų128131.1 Ų131.183%0.83172%0.715SS**  trans-99.3151.8172.937.4-32.4000113.4
695S25.7Very low35.7Very low119 Ų119135.9 Ų135.983%0.83275%0.746SS**  trans-153.7140.2164.6550000113
696M29.6Very low33.5Very low174 Ų174143 Ų14386%0.85778%0.776SS**  trans-101.6150.2159.8-72.1-74.9-71.200107.4
697P34.7Very low32Very low114 Ų114145.4 Ų145.474%0.7478%0.781SS**  -152.6146.699.335.9-17000117.9
698V25.1Very low30.9Very low119 Ų119143.2 Ų143.272%0.72178%0.783SS**  trans66103.6132.1-178.90000121.8
699C24Very low29.9Very low103 Ų103139 Ų13970%0.69678%0.78SS**  61.6171121.9-52.30000125
700E22.9Very low29.8Very low177 Ų177138.9 Ų138.983%0.82778%0.781SS**  trans74.5132.2177.4-49.7-50.8109.600117.3
701A28.1Very low29.6Very low85 Ų85132.9 Ų132.970%0.70277%0.77SS**  cis-160161.8-1300000111.6
702E26.9Very low29.1Very low169 Ų169133.1 Ų133.179%0.7977%0.771SS**  trans-83.1157.2172.9-76.5-72.8140.500112
703P38.9Very low28.9Very low124 Ų124131.7 Ų131.781%0.80577%0.769SS**  -150.2157.891.538.7-20.4000118.4
704D24.7Very low29Very low141 Ų141130.2 Ų130.275%0.75477%0.769SS**  trans-55157.4169.5-114.2-57.1000116.4
705T30.7Very low28.5Very low129 Ų129129.1 Ų129.179%0.79177%0.771SS**  170.7133.6111.8-64.10000114.2
706K30.6Very low28.9Very low170 Ų170128.4 Ų128.474%0.73977%0.772SS**  trans-27.2163.7156.4-108.9171.7160.9-108.80117.6
707D25.4Very low28.8Very low113 Ų113128.3 Ų128.360%0.60477%0.774SS**  cis-168.7-177.424.6-141.7-29.7000112.9
708S27.3Very low28.6Very low116 Ų116128.9 Ų128.981%0.81178%0.781SS**  trans84.4151.4158.4-52.80000121.7
709A25.6Very low28.9Very low93 Ų93132.4 Ų132.477%0.76979%0.787SS**  trans-150.8-172.3-177.300000108.7
710P39.4Very low29.5Very low123 Ų123136.8 Ų136.880%0.79979%0.789SS**  cis-143.4-163.37.644.8-24.2000116.7
711A28.1Very low29.7Very low82 Ų82134.2 Ų134.268%0.67879%0.787SS**  trans103.9119.6152.400000120.9
712E27.7Very low30Very low192 Ų192133 Ų13390%0.89778%0.783SS**  trans58.3135.7141.2-67172.7-178.900121.3
713D26.4Very low30Very low138 Ų138134.1 Ų134.174%0.73879%0.785SS**  cis-159.2166.8-10.1-167.616.5000112.1
714T28.5Very low29.7Very low126 Ų126132.3 Ų132.377%0.77378%0.776SS**  trans61.485.3165.454.60000120.7
715A27.3Very low30Very low104 Ų104132.3 Ų132.386%0.8677%0.771SS**  trans-155.5133.9143.300000111.4L717A715-L717 PolarHBondContact O-N 2.67Å
716A35.9Very low29.9Very low105 Ų105130.6 Ų130.687%0.86876%0.763SS**  trans-83.8102.9-172.900000113.2
717L26.8Very low30.1Very low171 Ų171130.5 Ų130.590%0.89577%0.768SS**  trans-144.1102.7168.3-14683.7000111.1A715A715-L717 PolarHBondContact O-N 2.67Å
718S30.3Very low30.7Very low127 Ų127131.5 Ų131.589%0.88877%0.769SS**PPolyproline II helixtrans-84.7137.8177.4-167.60000111.6
719K30.9Very low31.3Very low192 Ų192131 Ų13184%0.83577%0.765SS**PPolyproline II helixtrans-81.2140-174.8-67.1179.2180176.90112
720R38Very low32.1Very low196 Ų196135.8 Ų135.874%0.7477%0.769SS**PPolyproline II helixtrans-72.8136.9165.3-168.1177.9-172-176.5-0.1109.5
721P27Very low32.5Very low122 Ų122134.6 Ų134.679%0.79276%0.755SS**  -116.4160.1127.4-4.724.3000111
722G33Very low34Very low59 Ų59133.5 Ų133.561%0.60874%0.742SS**  trans-83.2122.3-175.200000113.6
723F28.3Very low35.6Very low193 Ų193135.3 Ų135.385%0.84674%0.741SS**  trans-151.455.9154.2-143.2-90.1000112.5
724S32.3Very low37.7Very low87 Ų87134 Ų13461%0.60873%0.732SS**  trans-133-4.4-178.766.50000115.9
725E30.5Very low39.8Very low141 Ų141131.1 Ų131.166%0.65971%0.713SS**SBendtrans-920.7-177.2-71.7170.5150.200113.8S729E725-S729 PolarHBondContact O-OG 3.16Å
726C29.4Very low42.4Very low92 Ų92129 Ų12962%0.62269%0.687SS**THydrogen-bonded Turntrans-75.7-22-176.6-163.20000114
727M34.9Very low44.6Very low169 Ų169124.5 Ų124.583%0.83365%0.649SS**THydrogen-bonded Turntrans-107.2-16.1-173.6-68.9-63.7178.300115.2
728E37.3Very low47.4Very low134 Ų134120.3 Ų120.363%0.62663%0.627SS**THydrogen-bonded Turntrans-80.4-30.9-179.7-167.3160.6-158.100112.2K730 L731E728-K730 PolarHBondContact O-N 2.74Å; E728-L731 PolarHBondContact O-N 3Å
729S38.8Very low50.1Low104 Ų104117.2 Ų117.273%0.72760%0.603SS**THydrogen-bonded Turntrans-72.715.9-171.9-57.80000116.2E725E725-S729 PolarHBondContact O-OG 3.16Å
730K42.7Very low52.9Low195 Ų195108.7 Ų108.785%0.84857%0.567SS**THydrogen-bonded Turntrans-131.4-0.7178.4-77.3-171.3178.6177.20115.8E728E728-K730 PolarHBondContact O-N 2.74Å
731L49Very low55.6Low97 Ų97102.2 Ų102.251%0.50854%0.543SS..SBendtrans-75.5134.5161.7-69.1177.6000108.8E728 D735E728-L731 PolarHBondContact O-N 3Å; L731-D735 HydrophobicContact CB-CB 4.31Å; L731-D735 HydrophobicContact CD2-CB 4.15Å
732S59.3Low58.7Low60 Ų60102.9 Ų102.942%0.4254%0.535SS..  trans-62153.1169.2-177.60000109.4I734 D735 L736S732-I734 PolarHBondContact O-N 2.84Å; S732-I734 PolarHBondContact OG-N 2.82Å; S732-D735 WeakPolarHBondContact CB-OD2 3.48Å; S732-D735 PolarHBondContact N-OD2 3.28Å; S732-D735 PolarHBondContact O-N 3.35Å; S732-L736 PolarHBondContact O-N 2.92Å
733R61Low61.5Low230 Ų230104.7 Ų104.787%0.86853%0.528SS*.Hα-helixtrans-54.3-22.5168.1-68.7-177.5178.8171.7-0.4112.2A737R733-A737 VanDerWaalsContact O-CB 3.32Å; R733-A737 WeakPolarHBondContact O-CB 3.48Å; R733-A737 PolarHBondContact O-N 3.03Å
734I69.9Low64.7Low109 Ų10995.5 Ų95.556%0.55949%0.487SS*.Hα-helixtrans-76.9-37.2173.3-13671.5000112.5S732 N738S732-I734 PolarHBondContact O-N 2.84Å; S732-I734 PolarHBondContact OG-N 2.82Å; I734-N738 PolarHBondContact O-N 2.88Å; I734-N738 PolarHBondContact O-ND2 3.09Å; I734-N738 VanDerWaalsContact O-ND2 3.09Å
735D73.9Confident67.6Low67 Ų6793.8 Ų93.836%0.35847%0.47SS..Hα-helixtrans-76.5-45.7-176.2-54.3-40.4000110.9L731 S732 A737 N738 T739L731-D735 HydrophobicContact CB-CB 4.31Å; L731-D735 HydrophobicContact CD2-CB 4.15Å; S732-D735 WeakPolarHBondContact CB-OD2 3.48Å; S732-D735 PolarHBondContact N-OD2 3.28Å; S732-D735 PolarHBondContact O-N 3.35Å; D735-A737 VanDerWaalsContact C-N 3.27Å; D735-A737 PolarHBondContact O-N 3.23Å; D735-N738 CarbonylContact O-C 3.6Å; D735-N738 WeakPolarHBondContact O-CA 3.49Å; D735-N738 WeakPolarHBondContact O-CB 3.46Å; D735-N738 PolarHBondContact O-N 2.94Å; D735-T739 PolarHBondContact O-N 3.45Å; D735-T739 PolarHBondContact O-OG1 3Å
736L81.9Confident70.6Confident60 Ų6090.7 Ų90.731%0.31446%0.458SS..Hα-helixtrans-53.5-46.8170.7176.961.5000110.7S732 N738 T739 L740S732-L736 PolarHBondContact O-N 2.92Å; L736-N738 VanDerWaalsContact C-N 3.25Å; L736-N738 PolarHBondContact O-N 3.18Å; L736-T739 PolarHBondContact O-N 2.9Å; L736-L740 HydrophobicContact CD1-CD1 4.04Å; L736-L740 HydrophobicContact CD1-CG 4.31Å; L736-L740 HydrophobicContact CG-CD1 3.93Å; L736-L740 WeakPolarHBondContact O-CB 3.21Å; L736-L740 WeakPolarHBondContact O-CD1 3.19Å; L736-L740 WeakPolarHBondContact O-CG 3.31Å; L736-L740 PolarHBondContact O-N 3.35Å
737A81.3Confident73.6Confident9 Ų987.1 Ų87.17%0.07443%0.432CS..Hα-helixtrans-64.5-26.5175.900000113.3R733 D735 R741R733-A737 VanDerWaalsContact O-CB 3.32Å; R733-A737 WeakPolarHBondContact O-CB 3.48Å; R733-A737 PolarHBondContact O-N 3.03Å; D735-A737 VanDerWaalsContact C-N 3.27Å; D735-A737 PolarHBondContact O-N 3.23Å; A737-R741 WeakPolarHBondContact O-CD 3.35Å; A737-R741 WeakPolarHBondContact O-CG 3.41Å; A737-R741 PolarHBondContact O-N 3Å; A737-R741 PolarHBondContact O-NE 3.47Å
738N84.7Confident76.4Confident83 Ų8379.1 Ų79.144%0.44439%0.393SS..Hα-helixtrans-79.3-43.3176.2-70.5-27.2000111.9I734 D735 L736 L740 R741 E742I734-N738 PolarHBondContact O-N 2.88Å; I734-N738 PolarHBondContact O-ND2 3.09Å; I734-N738 VanDerWaalsContact O-ND2 3.09Å; D735-N738 CarbonylContact O-C 3.6Å; D735-N738 WeakPolarHBondContact O-CA 3.49Å; D735-N738 WeakPolarHBondContact O-CB 3.46Å; D735-N738 PolarHBondContact O-N 2.94Å; L736-N738 VanDerWaalsContact C-N 3.25Å; L736-N738 PolarHBondContact O-N 3.18Å; N738-L740 VanDerWaalsContact C-N 3.33Å; N738-L740 PolarHBondContact O-N 2.9Å; N738-R741 WeakPolarHBondContact O-CB 3.27Å; N738-R741 PolarHBondContact O-N 3.38Å; N738-R741 VanDerWaalsContact O-N 3.11Å; N738-E742 PolarHBondContact O-N 3.1Å; N738-E742 VanDerWaalsContact O-N 3.08Å
739T87.4Confident79Confident62 Ų6273.6 Ų73.638%0.3837%0.367SS..Hα-helixtrans-58.2-45.4172.1-55.70000111.2D735 L736 R741 E742 Q743D735-T739 PolarHBondContact O-N 3.45Å; D735-T739 PolarHBondContact O-OG1 3Å; L736-T739 PolarHBondContact O-N 2.9Å; T739-R741 VanDerWaalsContact C-N 3.31Å; T739-R741 PolarHBondContact O-N 2.94Å; T739-E742 PolarHBondContact O-N 3.05Å; T739-Q743 WeakPolarHBondContact O-CG 3.46Å; T739-Q743 PolarHBondContact O-N 3.49Å
740L91Very high81.6Confident13 Ų1375.4 Ų75.47%0.06836%0.358CS..Hα-helixtrans-63.6-32.6175.6-70.8166.9000112.9L736 N738 V744 L798 E799 L802L736-L740 HydrophobicContact CD1-CD1 4.04Å; L736-L740 HydrophobicContact CD1-CG 4.31Å; L736-L740 HydrophobicContact CG-CD1 3.93Å; L736-L740 WeakPolarHBondContact O-CB 3.21Å; L736-L740 WeakPolarHBondContact O-CD1 3.19Å; L736-L740 WeakPolarHBondContact O-CG 3.31Å; L736-L740 PolarHBondContact O-N 3.35Å; N738-L740 VanDerWaalsContact C-N 3.33Å; N738-L740 PolarHBondContact O-N 2.9Å; L740-V744 WeakPolarHBondContact O-CB 3.34Å; L740-V744 WeakPolarHBondContact O-CG2 3.33Å; L740-V744 PolarHBondContact O-N 2.99Å; L740-V744 VanDerWaalsContact O-N 3.1Å; L740-L798 HydrophobicContact CB-CB 3.8Å; L740-L798 HydrophobicContact CB-CD1 3.91Å; L740-L798 HydrophobicContact CB-CG 4.45Å; L740-E799 HydrophobicContact CD1-CG 3.78Å; L740-E799 WeakPolarHBondContact CD1-OE1 3.38Å; L740-E799 HydrophobicContact CD2-CG 3.99Å; L740-L802 HydrophobicContact CD2-CD1 3.65Å
741R93.1Very high83.9Confident61 Ų6167.9 Ų67.923%0.2333%0.326CS..Hα-helixtrans-65.7-42.2173.7-78.6165.6-153.1-49.3-1.5111.7A737 N738 T739 Q745 P790 F793 L798A737-R741 WeakPolarHBondContact O-CD 3.35Å; A737-R741 WeakPolarHBondContact O-CG 3.41Å; A737-R741 PolarHBondContact O-N 3Å; A737-R741 PolarHBondContact O-NE 3.47Å; N738-R741 WeakPolarHBondContact O-CB 3.27Å; N738-R741 PolarHBondContact O-N 3.38Å; N738-R741 VanDerWaalsContact O-N 3.11Å; T739-R741 VanDerWaalsContact C-N 3.31Å; T739-R741 PolarHBondContact O-N 2.94Å; R741-Q745 WeakPolarHBondContact O-CB 3.36Å; R741-Q745 PolarHBondContact O-N 3.33Å; R741-P790 HydrophobicContact CB-CB 4.43Å; R741-P790 PolarHBondContact NH1-O 3.18Å; R741-P790 WeakPolarHBondContact O-CB 3.45Å; R741-F793 PolarHBondContact NH1-O 2.84Å; R741-F793 PolarHBondContact NH2-O 2.8Å; R741-F793 VanDerWaalsContact NH2-O 3.11Å; R741-L798 HydrophobicContact CG-CD1 3.73Å
742E92.4Very high85.8Confident135 Ų13563.5 Ų63.563%0.63130%0.303SS*.Hα-helixtrans-67.7-48.7179.9-170.2161.3-13900110.7N738 T739 V744 Q745 D746N738-E742 PolarHBondContact O-N 3.1Å; N738-E742 VanDerWaalsContact O-N 3.08Å; T739-E742 PolarHBondContact O-N 3.05Å; E742-V744 PolarHBondContact O-N 2.86Å; E742-Q745 WeakPolarHBondContact O-CB 3.44Å; E742-Q745 PolarHBondContact O-N 3.41Å; E742-Q745 VanDerWaalsContact O-N 3.08Å; E742-D746 PolarHBondContact O-N 2.96Å
743Q92.6Very high87.2Confident98 Ų9860.7 Ų60.746%0.45828%0.283SS..Hα-helixtrans-56.1-46.6175.6-71.2174.1-13.300112.9T739 D746 L747 L802T739-Q743 WeakPolarHBondContact O-CG 3.46Å; T739-Q743 PolarHBondContact O-N 3.49Å; Q743-D746 PolarHBondContact O-N 2.81Å; Q743-L747 WeakPolarHBondContact O-CB 3.39Å; Q743-L747 PolarHBondContact O-N 3.38Å; Q743-L802 HydrophobicContact CB-CD1 4.05Å; Q743-L802 HydrophobicContact CB-CD2 4.11Å
744V94.9Very high88.4Confident0 Ų054.6 Ų54.60%026%0.264CS..Hα-helixtrans-70.7-32.5176.8177.80000111.9L740 E742 F748 P790 L798 I801 L802L740-V744 WeakPolarHBondContact O-CB 3.34Å; L740-V744 WeakPolarHBondContact O-CG2 3.33Å; L740-V744 PolarHBondContact O-N 2.99Å; L740-V744 VanDerWaalsContact O-N 3.1Å; E742-V744 PolarHBondContact O-N 2.86Å; V744-F748 HydrophobicContact CG1-CD2 3.9Å; V744-F748 HydrophobicContact CG1-CE1 4.26Å; V744-F748 HydrophobicContact CG1-CE2 3.59Å; V744-F748 HydrophobicContact CG1-CG 4.39Å; V744-F748 HydrophobicContact CG1-CZ 3.79Å; V744-F748 WeakPolarHBondContact O-CB 3.34Å; V744-F748 VanDerWaalsContact O-CG 3.31Å; V744-F748 WeakPolarHBondContact O-CG 3.5Å; V744-F748 PolarHBondContact O-N 2.84Å; V744-P790 HydrophobicContact CB-CB 4.31Å; V744-P790 HydrophobicContact CB-CG 4.32Å; V744-P790 HydrophobicContact CG1-CB 4.29Å; V744-P790 HydrophobicContact CG1-CG 3.97Å; V744-L798 HydrophobicContact CB-CD2 3.83Å; V744-L798 HydrophobicContact CG1-CD2 4.11Å; V744-L798 HydrophobicContact CG2-CB 3.97Å; V744-L798 HydrophobicContact CG2-CD2 3.76Å; V744-I801 HydrophobicContact CG1-CB 4.33Å; V744-I801 HydrophobicContact CG1-CD1 4.25Å; V744-I801 HydrophobicContact CG1-CG2 3.68Å; V744-I801 HydrophobicContact CG2-CB 4.3Å; V744-I801 HydrophobicContact CG2-CG2 4.21Å; V744-L802 HydrophobicContact CG2-CD1 4.18Å; V744-L802 HydrophobicContact CG2-CD2 3.6Å; V744-L802 HydrophobicContact CG2-CG 3.59Å
745Q93.8Very high89.2Confident51 Ų5151.2 Ų51.224%0.23825%0.252CS..Hα-helixtrans-64.7-42.6175.3-177.655.987.200111.4R741 E742 F748 N749 Y766 P790R741-Q745 WeakPolarHBondContact O-CB 3.36Å; R741-Q745 PolarHBondContact O-N 3.33Å; E742-Q745 WeakPolarHBondContact O-CB 3.44Å; E742-Q745 PolarHBondContact O-N 3.41Å; E742-Q745 VanDerWaalsContact O-N 3.08Å; Q745-F748 PolarHBondContact O-N 2.7Å; Q745-N749 PolarHBondContact NE2-ND2 2.81Å; Q745-N749 PolarHBondContact NE2-OD1 2.96Å; Q745-N749 WeakPolarHBondContact O-CB 3.39Å; Q745-N749 PolarHBondContact O-N 3.3Å; Q745-N749 PolarHBondContact O-ND2 3.45Å; Q745-N749 VanDerWaalsContact O-ND2 3.08Å; Q745-N749 PolarHBondContact O-OD1 3.17Å; Q745-Y766 PolarHBondContact NE2-OH 2.83Å; Q745-Y766 PolarHBondContact OE1-OH 3.04Å; Q745-P790 HydrophobicContact CB-CB 4.46Å; Q745-P790 HydrophobicContact CB-CG 3.94Å
746D92.4Very high89.5Confident76 Ų7649.7 Ų49.741%0.40624%0.244SC..Hα-helixtrans-77.1-32.8178.6-81.5-7.2000113.3E742 Q743 N749 R750E742-D746 PolarHBondContact O-N 2.96Å; Q743-D746 PolarHBondContact O-N 2.81Å; D746-N749 PolarHBondContact O-N 2.91Å; D746-N749 PolarHBondContact OD1-ND2 2.99Å; D746-R750 WeakPolarHBondContact O-CB 3.46Å; D746-R750 PolarHBondContact O-N 2.77Å
747L93.6Very high89.5Confident17 Ų1750.3 Ų50.39%0.08927%0.265CS..Hα-helixtrans-56.1-52.3166.6172.963000110.9Q743 N749 R750 K751 I801 L802 A805 I808Q743-L747 WeakPolarHBondContact O-CB 3.39Å; Q743-L747 PolarHBondContact O-N 3.38Å; L747-N749 PolarHBondContact O-N 3.28Å; L747-R750 PolarHBondContact O-N 2.78Å; L747-K751 HydrophobicContact CD1-CG 3.92Å; L747-K751 WeakPolarHBondContact O-CG 3.41Å; L747-K751 PolarHBondContact O-N 2.91Å; L747-I801 HydrophobicContact CD2-CG2 4.37Å; L747-L802 HydrophobicContact CD2-CD2 4.05Å; L747-A805 HydrophobicContact CD1-CB 3.81Å; L747-A805 HydrophobicContact CD2-CB 3.56Å; L747-A805 HydrophobicContact CG-CB 4.35Å; L747-I808 HydrophobicContact CD2-CD1 4.39Å
748F93.8Very high89.4Confident1 Ų151.3 Ų51.30%0.00427%0.269CS..Hα-helixtrans-62.9-40.4178.2-71.7-19.2000112.2V744 Q745 R750 Y752 V764 Y766 L781 F787 P790 I801 I808 F810V744-F748 HydrophobicContact CG1-CD2 3.9Å; V744-F748 HydrophobicContact CG1-CE1 4.26Å; V744-F748 HydrophobicContact CG1-CE2 3.59Å; V744-F748 HydrophobicContact CG1-CG 4.39Å; V744-F748 HydrophobicContact CG1-CZ 3.79Å; V744-F748 WeakPolarHBondContact O-CB 3.34Å; V744-F748 VanDerWaalsContact O-CG 3.31Å; V744-F748 WeakPolarHBondContact O-CG 3.5Å; V744-F748 PolarHBondContact O-N 2.84Å; Q745-F748 PolarHBondContact O-N 2.7Å; F748-R750 VanDerWaalsContact C-N 3.34Å; F748-R750 PolarHBondContact O-N 3.39Å; F748-Y752 WeakPolarHBondContact O-CB 3.48Å; F748-Y752 PolarHBondContact O-N 3.26Å; F748-V764 HydrophobicContact CB-CG2 4.08Å; F748-V764 VanDerWaalsContact O-CG2 3.3Å; F748-V764 WeakPolarHBondContact O-CG2 3.47Å; F748-Y766 HydrophobicContact CD2-CE1 4.26Å; F748-L781 HydrophobicContact CE1-CD2 4Å; F748-L781 HydrophobicContact CZ-CD2 4.03Å; F748-F787 HydrophobicContact CD2-CE2 4.13Å; F748-F787 HydrophobicContact CE1-CE2 4.48Å; F748-F787 HydrophobicContact CE2-CD2 4.47Å; F748-F787 HydrophobicContact CE2-CE2 4.02Å; F748-F787 HydrophobicContact CG-CE2 4.39Å; F748-F787 HydrophobicContact CZ-CD2 4.37Å; F748-F787 HydrophobicContact CZ-CE2 4.2Å; F748-P790 HydrophobicContact CD2-CG 3.97Å; F748-P790 HydrophobicContact CE2-CG 4.22Å; F748-I801 HydrophobicContact CE1-CG2 3.81Å; F748-I801 HydrophobicContact CZ-CD1 4.31Å; F748-I801 HydrophobicContact CZ-CG2 3.8Å; F748-I808 HydrophobicContact CE1-CD1 4.33Å; F748-I808 HydrophobicContact CE1-CG2 4.37Å; F748-F810 HydrophobicContact CB-CZ 4.32Å; F748-F810 HydrophobicContact CD1-CE2 4.35Å; F748-F810 HydrophobicContact CD1-CZ 4.21Å; F748-F810 HydrophobicContact CG-CZ 4.41Å
749N92Very high89Confident17 Ų1757.6 Ų57.69%0.09129%0.292CS..Hα-helixtrans-64-38.5175.8-67-29.7000112.1Q745 D746 L747 G753 P761 V762 Q763 V764Q745-N749 PolarHBondContact NE2-ND2 2.81Å; Q745-N749 PolarHBondContact NE2-OD1 2.96Å; Q745-N749 WeakPolarHBondContact O-CB 3.39Å; Q745-N749 PolarHBondContact O-N 3.3Å; Q745-N749 PolarHBondContact O-ND2 3.45Å; Q745-N749 VanDerWaalsContact O-ND2 3.08Å; Q745-N749 PolarHBondContact O-OD1 3.17Å; D746-N749 PolarHBondContact O-N 2.91Å; D746-N749 PolarHBondContact OD1-ND2 2.99Å; L747-N749 PolarHBondContact O-N 3.28Å; N749-G753 PolarHBondContact O-N 3.14Å; N749-P761 HydrophobicContact CB-CB 3.71Å; N749-P761 WeakPolarHBondContact O-CA 3.29Å; N749-V762 VanDerWaalsContact CA-O 3.25Å; N749-V762 WeakPolarHBondContact CA-O 3.11Å; N749-V762 WeakPolarHBondContact CB-O 3.44Å; N749-V762 PolarHBondContact O-N 3.43Å; N749-V762 PolarHBondContact OD1-O 3.41Å; N749-Q763 WeakPolarHBondContact OD1-CA 3.11Å; N749-V764 PolarHBondContact OD1-N 3.16Å
750R92.1Very high88.5Confident142 Ų14262.7 Ų62.754%0.53631%0.305SS..Hα-helixtrans-68.7-53.7179.8-162.7-170.2-56171.13.5111.3D746 L747 F748 Y752 G753 E754 P761D746-R750 WeakPolarHBondContact O-CB 3.46Å; D746-R750 PolarHBondContact O-N 2.77Å; L747-R750 PolarHBondContact O-N 2.78Å; F748-R750 VanDerWaalsContact C-N 3.34Å; F748-R750 PolarHBondContact O-N 3.39Å; R750-Y752 VanDerWaalsContact C-N 3.28Å; R750-Y752 PolarHBondContact O-N 2.96Å; R750-G753 CarbonylContact O-C 3.58Å; R750-G753 WeakPolarHBondContact O-CA 3.31Å; R750-G753 PolarHBondContact O-N 2.82Å; R750-E754 WeakPolarHBondContact CG-OE1 3.32Å; R750-E754 WeakPolarHBondContact O-CG 3.47Å; R750-E754 PolarHBondContact O-N 3.31Å; R750-P761 HydrophobicContact CB-CB 4.45Å
751K91.4Very high88Confident37 Ų3765.8 Ų65.816%0.16133%0.327CS..Hα-helixtrans-60.4-33.7177.2-66.4-62.5-162.7166.20112.9L747 E754 A755 A805 D806 I808 F810L747-K751 HydrophobicContact CD1-CG 3.92Å; L747-K751 WeakPolarHBondContact O-CG 3.41Å; L747-K751 PolarHBondContact O-N 2.91Å; K751-E754 VanDerWaalsContact CD-OE2 3.28Å; K751-E754 WeakPolarHBondContact CD-OE2 3.3Å; K751-E754 IonicContact NZ-OE2 3.37Å; K751-A755 WeakPolarHBondContact O-CB 3.36Å; K751-A755 PolarHBondContact O-N 3.34Å; K751-A755 VanDerWaalsContact O-N 3.11Å; K751-A805 WeakPolarHBondContact CE-O 3.09Å; K751-D806 PolarHBondContact NZ-O 3.33Å; K751-I808 VanDerWaalsContact CD-O 3.26Å; K751-I808 WeakPolarHBondContact CD-O 3.32Å; K751-I808 WeakPolarHBondContact CE-O 3.49Å; K751-I808 PolarHBondContact NZ-O 2.67Å; K751-F810 HydrophobicContact CB-CD2 3.67Å; K751-F810 HydrophobicContact CB-CE2 3.75Å
752Y90.2Very high87.7Confident6 Ų664.4 Ų64.42%0.02433%0.325CS..Hα-helixtrans-75.7-29.8173.5-176.3-103000113.1F748 R750 L756 V762 V764 P765 I769 V776 F810 I812F748-Y752 WeakPolarHBondContact O-CB 3.48Å; F748-Y752 PolarHBondContact O-N 3.26Å; R750-Y752 VanDerWaalsContact C-N 3.28Å; R750-Y752 PolarHBondContact O-N 2.96Å; Y752-L756 HydrophobicContact CD1-CD1 4.04Å; Y752-L756 HydrophobicContact CE1-CD1 3.57Å; Y752-L756 HydrophobicContact CE1-CG 4.48Å; Y752-L756 WeakPolarHBondContact O-CG 3.35Å; Y752-L756 PolarHBondContact O-N 3.21Å; Y752-V762 HydrophobicContact CD1-CB 4.11Å; Y752-V762 HydrophobicContact CD1-CG1 4.06Å; Y752-V762 HydrophobicContact CE1-CG1 4Å; Y752-V764 HydrophobicContact CD1-CG2 4.17Å; Y752-V764 HydrophobicContact CD2-CG1 4.42Å; Y752-V764 HydrophobicContact CG-CG1 4.39Å; Y752-V764 HydrophobicContact CG-CG2 3.96Å; Y752-P765 VanDerWaalsContact CE1-CD 3.5Å; Y752-P765 HydrophobicContact CE1-CG 4.34Å; Y752-P765 VanDerWaalsContact CZ-CD 3.4Å; Y752-P765 WeakPolarHBondContact OH-CD 3.15Å; Y752-P765 WeakPolarHBondContact OH-CG 3.45Å; Y752-I769 HydrophobicContact CE2-CD1 4.48Å; Y752-V776 HydrophobicContact CE2-CG1 4.47Å; Y752-V776 HydrophobicContact CE2-CG2 4.47Å; Y752-F810 HydrophobicContact CD2-CB 4.5Å; Y752-F810 AromaticContact CD2-CD1 3.89Å; Y752-F810 HydrophobicContact CD2-CD1 3.89Å; Y752-F810 HydrophobicContact CD2-CE1 4.35Å; Y752-F810 HydrophobicContact CD2-CG 4.27Å; Y752-I812 HydrophobicContact CD2-CD1 4.22Å; Y752-I812 HydrophobicContact CE2-CD1 3.77Å; Y752-I812 HydrophobicContact CE2-CG1 4.46Å
753G86.9Confident87.6Confident0 Ų066 Ų660%033%0.332CS..Hα-helixtrans-66.8-47.7169.100000112.1N749 R750 A755 L756 G757 I758N749-G753 PolarHBondContact O-N 3.14Å; R750-G753 CarbonylContact O-C 3.58Å; R750-G753 WeakPolarHBondContact O-CA 3.31Å; R750-G753 PolarHBondContact O-N 2.82Å; G753-A755 VanDerWaalsContact C-N 3.3Å; G753-A755 PolarHBondContact O-N 2.89Å; G753-L756 CarbonylContact O-C 3.51Å; G753-L756 WeakPolarHBondContact O-CA 3.41Å; G753-L756 WeakPolarHBondContact O-CB 3.48Å; G753-L756 PolarHBondContact O-N 3.44Å; G753-G757 PolarHBondContact O-N 3.41Å; G753-I758 CarbonylContact C-O 3.6Å; G753-I758 PolarHBondContact O-N 3.04Å
754E88.1Confident87.4Confident103 Ų10361.5 Ų61.548%0.48131%0.311SS..Hα-helixtrans-52.6-47.1173-71163.4-150.100111.2R750 K751 L756 G757R750-E754 WeakPolarHBondContact CG-OE1 3.32Å; R750-E754 WeakPolarHBondContact O-CG 3.47Å; R750-E754 PolarHBondContact O-N 3.31Å; K751-E754 VanDerWaalsContact CD-OE2 3.28Å; K751-E754 WeakPolarHBondContact CD-OE2 3.3Å; K751-E754 IonicContact NZ-OE2 3.37Å; E754-L756 PolarHBondContact O-N 3Å; E754-G757 PolarHBondContact O-N 2.89Å
755A84.8Confident87Confident37 Ų3762.4 Ų62.431%0.30632%0.317SS..THydrogen-bonded Turntrans-65.3-18.4176.600000115.3K751 G753 F810 I812K751-A755 WeakPolarHBondContact O-CB 3.36Å; K751-A755 PolarHBondContact O-N 3.34Å; K751-A755 VanDerWaalsContact O-N 3.11Å; G753-A755 VanDerWaalsContact C-N 3.3Å; G753-A755 PolarHBondContact O-N 2.89Å; A755-F810 HydrophobicContact CB-CB 3.67Å; A755-F810 WeakPolarHBondContact CB-O 3.29Å; A755-I812 HydrophobicContact CB-CD1 3.98Å; A755-I812 HydrophobicContact CB-CG1 4.18Å
756L81.7Confident86.7Confident36 Ų3661 Ų6119%0.18831%0.31CS..THydrogen-bonded Turntrans-92.9-1171.4-73.7169.4000112.8Y752 G753 E754 I758 V762 I812 I820Y752-L756 HydrophobicContact CD1-CD1 4.04Å; Y752-L756 HydrophobicContact CE1-CD1 3.57Å; Y752-L756 HydrophobicContact CE1-CG 4.48Å; Y752-L756 WeakPolarHBondContact O-CG 3.35Å; Y752-L756 PolarHBondContact O-N 3.21Å; G753-L756 CarbonylContact O-C 3.51Å; G753-L756 WeakPolarHBondContact O-CA 3.41Å; G753-L756 WeakPolarHBondContact O-CB 3.48Å; G753-L756 PolarHBondContact O-N 3.44Å; E754-L756 PolarHBondContact O-N 3Å; L756-I758 VanDerWaalsContact C-N 3.27Å; L756-I758 HydrophobicContact CB-CB 4.42Å; L756-I758 HydrophobicContact CB-CD1 3.81Å; L756-I758 HydrophobicContact CB-CG1 3.94Å; L756-I758 HydrophobicContact CD1-CD1 4.23Å; L756-V762 HydrophobicContact CD1-CB 4.28Å; L756-V762 HydrophobicContact CD1-CG1 3.88Å; L756-V762 HydrophobicContact CD1-CG2 4.36Å; L756-I812 HydrophobicContact CD2-CD1 3.49Å; L756-I812 VanDerWaalsContact CD2-CD1 3.49Å; L756-I812 HydrophobicContact CG-CD1 3.59Å; L756-I820 HydrophobicContact CD2-CD1 3.63Å; L756-I820 HydrophobicContact CD2-CG1 3.93Å
757G80.4Confident86.3Confident73 Ų7365.4 Ų65.475%0.75333%0.326SS*.THydrogen-bonded Turntrans72.717.9-170.900000113.8G753 E754G753-G757 PolarHBondContact O-N 3.41Å; E754-G757 PolarHBondContact O-N 2.89Å
758I80.1Confident85.6Confident30 Ų3069.5 Ų69.515%0.15434%0.34CS..  trans-103.1120.2-173.8-62.6174.9000109.6G753 L756 Y760 V762G753-I758 CarbonylContact C-O 3.6Å; G753-I758 PolarHBondContact O-N 3.04Å; L756-I758 VanDerWaalsContact C-N 3.27Å; L756-I758 HydrophobicContact CB-CB 4.42Å; L756-I758 HydrophobicContact CB-CD1 3.81Å; L756-I758 HydrophobicContact CB-CG1 3.94Å; L756-I758 HydrophobicContact CD1-CD1 4.23Å; I758-Y760 HydrophobicContact CG2-CD2 3.39Å; I758-Y760 HydrophobicContact CG2-CE1 4.44Å; I758-Y760 HydrophobicContact CG2-CE2 3.29Å; I758-Y760 HydrophobicContact CG2-CG 4.04Å; I758-Y760 PolarHBondContact O-N 2.8Å; I758-V762 HydrophobicContact CB-CG2 4.04Å; I758-V762 HydrophobicContact CD1-CG2 3.97Å; I758-V762 HydrophobicContact CG2-CG2 3.76Å
759K76.7Confident85.2Confident215 Ų21569.7 Ų69.794%0.93534%0.341SS*.SBendtrans-67.3-0.1-174.6-106.1-174.6177.9-178.30116.1
760Y77.1Confident84.7Confident168 Ų16876.9 Ų76.966%0.65937%0.371SS*.SBendtrans-135.4150.5-176.532.5-97.2000110.6I758 V762I758-Y760 HydrophobicContact CG2-CD2 3.39Å; I758-Y760 HydrophobicContact CG2-CE1 4.44Å; I758-Y760 HydrophobicContact CG2-CE2 3.29Å; I758-Y760 HydrophobicContact CG2-CG 4.04Å; I758-Y760 PolarHBondContact O-N 2.8Å; Y760-V762 WeakPolarHBondContact O-CG2 3.39Å; Y760-V762 PolarHBondContact O-N 3.23Å
761P81Confident84.1Confident79 Ų7975.2 Ų75.251%0.51337%0.373SS..  trans-61.1128.4-172.322.7-33.4000112.6N749 R750N749-P761 HydrophobicContact CB-CB 3.71Å; N749-P761 WeakPolarHBondContact O-CA 3.29Å; R750-P761 HydrophobicContact CB-CB 4.45Å
762V86.1Confident83.3Confident31 Ų3177.3 Ų77.319%0.18839%0.386CS..  trans-109.4132.4-178.1179.80000109.8N749 Y752 L756 I758 Y760 V764N749-V762 VanDerWaalsContact CA-O 3.25Å; N749-V762 WeakPolarHBondContact CA-O 3.11Å; N749-V762 WeakPolarHBondContact CB-O 3.44Å; N749-V762 PolarHBondContact O-N 3.43Å; N749-V762 PolarHBondContact OD1-O 3.41Å; Y752-V762 HydrophobicContact CD1-CB 4.11Å; Y752-V762 HydrophobicContact CD1-CG1 4.06Å; Y752-V762 HydrophobicContact CE1-CG1 4Å; L756-V762 HydrophobicContact CD1-CB 4.28Å; L756-V762 HydrophobicContact CD1-CG1 3.88Å; L756-V762 HydrophobicContact CD1-CG2 4.36Å; I758-V762 HydrophobicContact CB-CG2 4.04Å; I758-V762 HydrophobicContact CD1-CG2 3.97Å; I758-V762 HydrophobicContact CG2-CG2 3.76Å; Y760-V762 WeakPolarHBondContact O-CG2 3.39Å; Y760-V762 PolarHBondContact O-N 3.23Å; V762-V764 PolarHBondContact O-N 3.36Å
763Q89.2Confident82.4Confident168 Ų16880.9 Ų80.979%0.78541%0.41SS*.  trans-61.6120.2-177.4-177.5173.777.500112.4N749 P765N749-Q763 WeakPolarHBondContact OD1-CA 3.11Å; Q763-P765 WeakPolarHBondContact O-CD 3.49Å
764V89.8Confident81.9Confident5 Ų587.3 Ų87.33%0.0344%0.444CS..  trans-70.2125.3-176-171.60000112.6F748 N749 Y752 V762 Y766 I769 F787 F810F748-V764 HydrophobicContact CB-CG2 4.08Å; F748-V764 VanDerWaalsContact O-CG2 3.3Å; F748-V764 WeakPolarHBondContact O-CG2 3.47Å; N749-V764 PolarHBondContact OD1-N 3.16Å; Y752-V764 HydrophobicContact CD1-CG2 4.17Å; Y752-V764 HydrophobicContact CD2-CG1 4.42Å; Y752-V764 HydrophobicContact CG-CG1 4.39Å; Y752-V764 HydrophobicContact CG-CG2 3.96Å; V762-V764 PolarHBondContact O-N 3.36Å; V764-Y766 VanDerWaalsContact C-N 3.26Å; V764-Y766 HydrophobicContact CB-CD2 4.29Å; V764-Y766 HydrophobicContact CB-CE1 4.31Å; V764-Y766 HydrophobicContact CB-CE2 3.89Å; V764-Y766 HydrophobicContact CG1-CD1 4.3Å; V764-Y766 HydrophobicContact CG1-CE1 4.19Å; V764-Y766 HydrophobicContact CG1-CE2 4.47Å; V764-Y766 HydrophobicContact CG1-CG 4.48Å; V764-Y766 WeakPolarHBondContact O-CD2 3.38Å; V764-Y766 WeakPolarHBondContact O-CE2 3.46Å; V764-Y766 PolarHBondContact O-N 3.05Å; V764-I769 HydrophobicContact CG1-CD1 3.6Å; V764-F787 HydrophobicContact CG1-CE1 4.45Å; V764-F787 HydrophobicContact CG1-CZ 3.89Å; V764-F810 HydrophobicContact CG1-CE1 4.33Å
765P86.4Confident81.3Confident19 Ų1983.1 Ų83.112%0.12343%0.426CS..  trans-84.560.3-176.734.7-36.7000112.6Y752 Q763 K767 R768 I769 F816 L819Y752-P765 VanDerWaalsContact CE1-CD 3.5Å; Y752-P765 HydrophobicContact CE1-CG 4.34Å; Y752-P765 VanDerWaalsContact CZ-CD 3.4Å; Y752-P765 WeakPolarHBondContact OH-CD 3.15Å; Y752-P765 WeakPolarHBondContact OH-CG 3.45Å; Q763-P765 WeakPolarHBondContact O-CD 3.49Å; P765-K767 PolarHBondContact O-N 2.97Å; P765-R768 HydrophobicContact CB-CB 4.38Å; P765-R768 HydrophobicContact CB-CG 4.47Å; P765-R768 PolarHBondContact O-N 3.42Å; P765-I769 HydrophobicContact CG-CD1 4.3Å; P765-I769 HydrophobicContact CG-CG1 4.4Å; P765-I769 PolarHBondContact O-N 3.45Å; P765-F816 HydrophobicContact CG-CD2 3.85Å; P765-F816 HydrophobicContact CG-CE2 4.04Å; P765-L819 HydrophobicContact CB-CD1 3.65Å; P765-L819 HydrophobicContact CG-CD1 4.18Å
766Y87.8Confident81.3Confident21 Ų2181.4 Ų81.48%0.08241%0.412CS..Hα-helixtrans-43.5-37.3-174.3-60.7-84.4000115.7Q745 F748 V764 K770 F787 K789 P790Q745-Y766 PolarHBondContact NE2-OH 2.83Å; Q745-Y766 PolarHBondContact OE1-OH 3.04Å; F748-Y766 HydrophobicContact CD2-CE1 4.26Å; V764-Y766 VanDerWaalsContact C-N 3.26Å; V764-Y766 HydrophobicContact CB-CD2 4.29Å; V764-Y766 HydrophobicContact CB-CE1 4.31Å; V764-Y766 HydrophobicContact CB-CE2 3.89Å; V764-Y766 HydrophobicContact CG1-CD1 4.3Å; V764-Y766 HydrophobicContact CG1-CE1 4.19Å; V764-Y766 HydrophobicContact CG1-CE2 4.47Å; V764-Y766 HydrophobicContact CG1-CG 4.48Å; V764-Y766 WeakPolarHBondContact O-CD2 3.38Å; V764-Y766 WeakPolarHBondContact O-CE2 3.46Å; V764-Y766 PolarHBondContact O-N 3.05Å; Y766-K770 WeakPolarHBondContact O-CB 3.32Å; Y766-K770 PolarHBondContact O-N 2.91Å; Y766-F787 AromaticContact CD1-CE1 3.76Å; Y766-F787 HydrophobicContact CD1-CE1 3.76Å; Y766-F787 HydrophobicContact CD1-CE2 4.46Å; Y766-F787 AromaticContact CD1-CZ 3.59Å; Y766-F787 HydrophobicContact CD1-CZ 3.59Å; Y766-F787 HydrophobicContact CE1-CE1 4.15Å; Y766-F787 HydrophobicContact CE1-CE2 4.05Å; Y766-F787 AromaticContact CE1-CZ 3.49Å; Y766-F787 HydrophobicContact CE1-CZ 3.49Å; Y766-F787 VanDerWaalsContact CE1-CZ 3.49Å; Y766-K789 HydrophobicContact CD1-CG 4Å; Y766-K789 HydrophobicContact CD2-CD 4.3Å; Y766-K789 HydrophobicContact CD2-CG 3.59Å; Y766-K789 HydrophobicContact CE1-CG 4.37Å; Y766-K789 HydrophobicContact CE2-CG 3.98Å; Y766-K789 HydrophobicContact CG-CG 3.6Å; Y766-P790 WeakPolarHBondContact OH-CD 3.48Å
767K82.7Confident81.5Confident169 Ų16983.3 Ų83.374%0.73542%0.422SS*.Hα-helixtrans-71-32.3179.4-170.7179.1178.8-175.90112.9P765 N771P765-K767 PolarHBondContact O-N 2.97Å; K767-N771 WeakPolarHBondContact O-CB 3.42Å; K767-N771 PolarHBondContact O-N 3.44Å; K767-N771 PolarHBondContact O-OD1 3.48Å
768R79.6Confident81.9Confident102 Ų10281.6 Ų81.639%0.38540%0.395SS..Hα-helixtrans-75.3-43.8176.6-63.9-168.5-178.3-165.12.9110.9P765 N771 N772 F816 Q817P765-R768 HydrophobicContact CB-CB 4.38Å; P765-R768 HydrophobicContact CB-CG 4.47Å; P765-R768 PolarHBondContact O-N 3.42Å; R768-N771 PolarHBondContact O-N 3.13Å; R768-N772 PolarHBondContact O-N 2.95Å; R768-N772 VanDerWaalsContact O-N 3.08Å; R768-N772 PolarHBondContact O-ND2 3.09Å; R768-N772 VanDerWaalsContact O-ND2 3.17Å; R768-F816 HydrophobicContact CB-CD1 3.96Å; R768-F816 HydrophobicContact CB-CD2 4.21Å; R768-F816 HydrophobicContact CB-CE1 3.72Å; R768-F816 HydrophobicContact CB-CE2 3.97Å; R768-F816 HydrophobicContact CB-CG 4.22Å; R768-F816 HydrophobicContact CB-CZ 3.73Å; R768-Q817 PolarHBondContact NH1-O 3.06Å
769I85.4Confident82.3Confident6 Ų685.2 Ų85.23%0.03141%0.411CS..Hα-helixtrans-59.3-51.9176.1-60.8171.3000110.8Y752 V764 P765 N771 N772 V776 I778 F787 F816Y752-I769 HydrophobicContact CE2-CD1 4.48Å; V764-I769 HydrophobicContact CG1-CD1 3.6Å; P765-I769 HydrophobicContact CG-CD1 4.3Å; P765-I769 HydrophobicContact CG-CG1 4.4Å; P765-I769 PolarHBondContact O-N 3.45Å; I769-N771 PolarHBondContact O-N 2.95Å; I769-N771 VanDerWaalsContact O-N 3.13Å; I769-N772 CarbonylContact O-C 3.59Å; I769-N772 PolarHBondContact O-N 3.08Å; I769-V776 HydrophobicContact CD1-CB 4.43Å; I769-V776 HydrophobicContact CD1-CG1 4.31Å; I769-V776 HydrophobicContact CG1-CB 4.14Å; I769-V776 HydrophobicContact CG1-CG2 4.16Å; I769-V776 HydrophobicContact CG2-CB 4.42Å; I769-I778 HydrophobicContact CG2-CD1 3.96Å; I769-F787 HydrophobicContact CB-CE1 4.4Å; I769-F787 HydrophobicContact CD1-CE1 3.95Å; I769-F787 HydrophobicContact CD1-CZ 4.48Å; I769-F787 HydrophobicContact CG2-CD1 3.97Å; I769-F787 HydrophobicContact CG2-CE1 3.92Å; I769-F816 HydrophobicContact CG1-CE2 3.63Å; I769-F816 HydrophobicContact CG1-CZ 3.98Å
770K80.4Confident82.8Confident168 Ų16876.7 Ų76.773%0.7338%0.384SS*.Hα-helixtrans-58.2-30.8179.2-165.7-157.8168.3-160.50113.1Y766Y766-K770 WeakPolarHBondContact O-CB 3.32Å; Y766-K770 PolarHBondContact O-N 2.91Å
771N80.5Confident83.4Confident106 Ų10670.6 Ų70.657%0.56736%0.362SS*.Hα-helixtrans-87.9-14.7-179.2-75.732.8000113.5K767 R768 I769K767-N771 WeakPolarHBondContact O-CB 3.42Å; K767-N771 PolarHBondContact O-N 3.44Å; K767-N771 PolarHBondContact O-OD1 3.48Å; R768-N771 PolarHBondContact O-N 3.13Å; I769-N771 PolarHBondContact O-N 2.95Å; I769-N771 VanDerWaalsContact O-N 3.13Å
772N74.8Confident83.9Confident81 Ų8167.3 Ų67.343%0.43334%0.341SS..  trans-146.876.8-177.6-53.9-99.3000108.6R768 I769 D774 S775 F816R768-N772 PolarHBondContact O-N 2.95Å; R768-N772 VanDerWaalsContact O-N 3.08Å; R768-N772 PolarHBondContact O-ND2 3.09Å; R768-N772 VanDerWaalsContact O-ND2 3.17Å; I769-N772 CarbonylContact O-C 3.59Å; I769-N772 PolarHBondContact O-N 3.08Å; N772-D774 PolarHBondContact O-N 3.16Å; N772-S775 WeakPolarHBondContact O-CB 3.4Å; N772-S775 PolarHBondContact O-N 3.34Å; N772-F816 HydrophobicContact CB-CE1 4.49Å
773P71.6Confident83.8Confident82 Ų8271.8 Ų71.853%0.53237%0.371SS..G310 helixtrans-58.3-39.2-176.623.2-32.5000111.7S775 V776P773-S775 PolarHBondContact O-N 2.91Å; P773-V776 CarbonylContact O-C 3.55Å; P773-V776 PolarHBondContact O-N 2.81Å; P773-V776 VanDerWaalsContact O-N 3.12Å
774D75.3Confident83.5Confident135 Ų13567.8 Ų67.872%0.72238%0.375SS*.G310 helixtrans-64.8-4-177.7-33.7-43.8000114.5N772 T813N772-D774 PolarHBondContact O-N 3.16Å; D774-T813 PolarHBondContact O-OG1 3.19Å
775S76.8Confident83.4Confident14 Ų1468.1 Ų68.110%0.09838%0.376CS..G310 helixtrans-93.4-26.4176.7-58.50000113.9N772 P773 T813 R814N772-S775 WeakPolarHBondContact O-CB 3.4Å; N772-S775 PolarHBondContact O-N 3.34Å; P773-S775 PolarHBondContact O-N 2.91Å; S775-T813 PolarHBondContact O-N 3.47Å; S775-T813 PolarHBondContact O-OG1 2.89Å; S775-R814 PolarHBondContact O-N 3.3Å
776V84.5Confident83.5Confident2 Ų270.5 Ų70.51%0.01239%0.392CS..  trans-148.1104.8179.2-178.30000109Y752 I769 P773 I778 F810 T811 I812 F816Y752-V776 HydrophobicContact CE2-CG1 4.47Å; Y752-V776 HydrophobicContact CE2-CG2 4.47Å; I769-V776 HydrophobicContact CD1-CB 4.43Å; I769-V776 HydrophobicContact CD1-CG1 4.31Å; I769-V776 HydrophobicContact CG1-CB 4.14Å; I769-V776 HydrophobicContact CG1-CG2 4.16Å; I769-V776 HydrophobicContact CG2-CB 4.42Å; P773-V776 CarbonylContact O-C 3.55Å; P773-V776 PolarHBondContact O-N 2.81Å; P773-V776 VanDerWaalsContact O-N 3.12Å; V776-I778 WeakPolarHBondContact O-CD1 3.16Å; V776-F810 HydrophobicContact CG1-CB 4.45Å; V776-F810 HydrophobicContact CG1-CD1 3.86Å; V776-T811 WeakPolarHBondContact CA-O 3.39Å; V776-I812 HydrophobicContact CG1-CG1 4.32Å; V776-I812 HydrophobicContact CG2-CG1 4.23Å; V776-I812 HydrophobicContact CG2-CG2 4.33Å; V776-F816 HydrophobicContact CG2-CD2 4.33Å; V776-F816 HydrophobicContact CG2-CE2 3.53Å; V776-F816 HydrophobicContact CG2-CZ 4Å
777I84.7Confident83.6Confident76 Ų7671.5 Ų71.539%0.3940%0.397SS..EExtended strand (participates in β ladder)trans-78.3141.6171.5-54.3172.9000107.9E779 F810 T811 T813I777-E779 HydrophobicContact CG2-CG 4.03Å; I777-F810 WeakPolarHBondContact O-CA 3.42Å; I777-T811 PolarHBondContact N-O 3.06Å; I777-T811 PolarHBondContact O-N 2.91Å; I777-T813 HydrophobicContact CD1-CG2 3.88Å; I777-T813 HydrophobicContact CG1-CG2 4.35Å
778I89.9Confident83.9Confident36 Ų3670.2 Ų70.219%0.18539%0.387CS..EExtended strand (participates in β ladder)trans-124.9120.3174.3-49.690.9000107.7I769 V776 L781 F787 I808 S809 F810I769-I778 HydrophobicContact CG2-CD1 3.96Å; V776-I778 WeakPolarHBondContact O-CD1 3.16Å; I778-L781 HydrophobicContact CB-CD1 4.28Å; I778-L781 HydrophobicContact CG2-CD1 3.8Å; I778-L781 HydrophobicContact CG2-CG 4.02Å; I778-F787 HydrophobicContact CD1-CB 4.24Å; I778-F787 HydrophobicContact CD1-CD1 3.72Å; I778-F787 HydrophobicContact CD1-CD2 4.49Å; I778-F787 HydrophobicContact CD1-CE1 4.25Å; I778-F787 HydrophobicContact CD1-CG 3.87Å; I778-F787 HydrophobicContact CG1-CD1 4.25Å; I778-F787 HydrophobicContact CG1-CD2 4.23Å; I778-F787 HydrophobicContact CG1-CG 4.1Å; I778-F787 HydrophobicContact CG2-CD2 4.32Å; I778-I808 HydrophobicContact CG2-CG2 4.49Å; I778-S809 WeakPolarHBondContact CA-O 3.17Å; I778-S809 WeakPolarHBondContact CG2-O 3.28Å; I778-F810 HydrophobicContact CB-CD1 4.5Å; I778-F810 HydrophobicContact CG1-CD1 3.57Å; I778-F810 HydrophobicContact CG1-CE1 3.59Å; I778-F810 HydrophobicContact CG1-CG 4.42Å; I778-F810 HydrophobicContact CG1-CZ 4.43Å; I778-F810 HydrophobicContact CG2-CD1 4.34Å; I778-F810 HydrophobicContact CG2-CE1 4.18Å; I778-F810 HydrophobicContact CG2-CE2 4.47Å; I778-F810 HydrophobicContact CG2-CZ 4.25Å
779E87.9Confident84.5Confident107 Ų10770.6 Ų70.650%0.539%0.392SS..EExtended strand (participates in β ladder)trans-110.3168.3-178.7-58.1176.8179.600110.6I777 L781 I808 S809I777-E779 HydrophobicContact CG2-CG 4.03Å; E779-L781 PolarHBondContact O-N 3.35Å; E779-L781 VanDerWaalsContact O-N 3.13Å; E779-I808 WeakPolarHBondContact O-CA 3.33Å; E779-S809 PolarHBondContact N-O 2.84Å; E779-S809 VanDerWaalsContact N-O 3.11Å; E779-S809 PolarHBondContact O-N 2.93Å
780G86.9Confident84.7Confident35 Ų3570.4 Ų70.436%0.36139%0.391SS..SBendtrans70.92.7174.600000117.1V804 K807 I808G780-V804 VanDerWaalsContact O-CG2 3.31Å; G780-V804 WeakPolarHBondContact O-CG2 3.43Å; G780-K807 WeakPolarHBondContact CA-O 3.3Å; G780-I808 WeakPolarHBondContact O-CG1 3.35Å
781L90.8Very high84.9Confident40 Ų4066.4 Ų66.421%0.20938%0.383CS..PPolyproline II helixtrans-63.4150.6172.1-73.2171000111.8F748 I778 E779 F787 I808F748-L781 HydrophobicContact CE1-CD2 4Å; F748-L781 HydrophobicContact CZ-CD2 4.03Å; I778-L781 HydrophobicContact CB-CD1 4.28Å; I778-L781 HydrophobicContact CG2-CD1 3.8Å; I778-L781 HydrophobicContact CG2-CG 4.02Å; E779-L781 PolarHBondContact O-N 3.35Å; E779-L781 VanDerWaalsContact O-N 3.13Å; L781-F787 HydrophobicContact CD1-CB 3.76Å; L781-F787 HydrophobicContact CD1-CD2 4.07Å; L781-F787 HydrophobicContact CD1-CG 4.38Å; L781-I808 HydrophobicContact CD2-CD1 3.98Å; L781-I808 HydrophobicContact CD2-CG1 4.22Å
782P90.6Very high85.2Confident11 Ų1165.3 Ų65.37%0.07138%0.38CS..PPolyproline II helixtrans-61.4143.4178.7-22.533.3000112.8G784 I785 R800 I801 V804P782-G784 PolarHBondContact O-N 2.94Å; P782-I785 HydrophobicContact CB-CB 4.38Å; P782-I785 HydrophobicContact CB-CD1 3.87Å; P782-I785 HydrophobicContact CB-CG1 4.1Å; P782-I785 HydrophobicContact CG-CD1 4.05Å; P782-I785 PolarHBondContact O-N 3.38Å; P782-R800 HydrophobicContact CG-CB 4.36Å; P782-R800 WeakPolarHBondContact CG-O 3.49Å; P782-I801 HydrophobicContact CG-CG1 4.21Å; P782-V804 HydrophobicContact CG-CG2 3.64Å
783P85.1Confident85.9Confident124 Ų12462.2 Ų62.281%0.80536%0.363SS*.THydrogen-bonded Turntrans-57.2133.717823.6-33.4000111.2I785P783-I785 VanDerWaalsContact C-N 3.31Å; P783-I785 PolarHBondContact O-N 2.87Å
784G82.3Confident86.6Confident84 Ų8460.1 Ų60.187%0.86636%0.356SS*.THydrogen-bonded Turntrans79.4-1.9-176.800000115.9P782 P786P782-G784 PolarHBondContact O-N 2.94Å; G784-P786 WeakPolarHBondContact O-CD 3.27Å
785I88.5Confident87.2Confident12 Ų1255.5 Ų55.56%0.06233%0.334CS..  trans-102.1103.7176.7-57.5-169.3000110.5P782 P783 F793 N797 R800 I801P782-I785 HydrophobicContact CB-CB 4.38Å; P782-I785 HydrophobicContact CB-CD1 3.87Å; P782-I785 HydrophobicContact CB-CG1 4.1Å; P782-I785 HydrophobicContact CG-CD1 4.05Å; P782-I785 PolarHBondContact O-N 3.38Å; P783-I785 VanDerWaalsContact C-N 3.31Å; P783-I785 PolarHBondContact O-N 2.87Å; I785-F793 HydrophobicContact CG2-CD1 4.47Å; I785-F793 HydrophobicContact CG2-CE1 3.82Å; I785-F793 HydrophobicContact CG2-CZ 3.96Å; I785-N797 HydrophobicContact CD1-CB 4.11Å; I785-R800 HydrophobicContact CD1-CB 4.19Å; I785-I801 HydrophobicContact CD1-CG1 4.39Å; I785-I801 HydrophobicContact CG2-CD1 4.03Å; I785-I801 HydrophobicContact CG2-CG1 4.23Å
786P87.8Confident87.8Confident70 Ų7061.5 Ų61.546%0.45536%0.361SS..  trans-74.6142.8179.330.8-35.4000111.6G784 R788 F793G784-P786 WeakPolarHBondContact O-CD 3.27Å; P786-R788 PolarHBondContact O-N 3.37Å; P786-R788 VanDerWaalsContact O-N 3.1Å; P786-F793 WeakPolarHBondContact O-CZ 3.39Å
787F90.5Very high88.1Confident42 Ų4263.7 Ų63.718%0.18437%0.373CS..SBendtrans-59.4113.7178.7-176.1-109.9000112.5F748 V764 Y766 I769 I778 L781 F810F748-F787 HydrophobicContact CD2-CE2 4.13Å; F748-F787 HydrophobicContact CE1-CE2 4.48Å; F748-F787 HydrophobicContact CE2-CD2 4.47Å; F748-F787 HydrophobicContact CE2-CE2 4.02Å; F748-F787 HydrophobicContact CG-CE2 4.39Å; F748-F787 HydrophobicContact CZ-CD2 4.37Å; F748-F787 HydrophobicContact CZ-CE2 4.2Å; V764-F787 HydrophobicContact CG1-CE1 4.45Å; V764-F787 HydrophobicContact CG1-CZ 3.89Å; Y766-F787 AromaticContact CD1-CE1 3.76Å; Y766-F787 HydrophobicContact CD1-CE1 3.76Å; Y766-F787 HydrophobicContact CD1-CE2 4.46Å; Y766-F787 AromaticContact CD1-CZ 3.59Å; Y766-F787 HydrophobicContact CD1-CZ 3.59Å; Y766-F787 HydrophobicContact CE1-CE1 4.15Å; Y766-F787 HydrophobicContact CE1-CE2 4.05Å; Y766-F787 AromaticContact CE1-CZ 3.49Å; Y766-F787 HydrophobicContact CE1-CZ 3.49Å; Y766-F787 VanDerWaalsContact CE1-CZ 3.49Å; I769-F787 HydrophobicContact CB-CE1 4.4Å; I769-F787 HydrophobicContact CD1-CE1 3.95Å; I769-F787 HydrophobicContact CD1-CZ 4.48Å; I769-F787 HydrophobicContact CG2-CD1 3.97Å; I769-F787 HydrophobicContact CG2-CE1 3.92Å; I778-F787 HydrophobicContact CD1-CB 4.24Å; I778-F787 HydrophobicContact CD1-CD1 3.72Å; I778-F787 HydrophobicContact CD1-CD2 4.49Å; I778-F787 HydrophobicContact CD1-CE1 4.25Å; I778-F787 HydrophobicContact CD1-CG 3.87Å; I778-F787 HydrophobicContact CG1-CD1 4.25Å; I778-F787 HydrophobicContact CG1-CD2 4.23Å; I778-F787 HydrophobicContact CG1-CG 4.1Å; I778-F787 HydrophobicContact CG2-CD2 4.32Å; L781-F787 HydrophobicContact CD1-CB 3.76Å; L781-F787 HydrophobicContact CD1-CD2 4.07Å; L781-F787 HydrophobicContact CD1-CG 4.38Å; F787-F810 HydrophobicContact CE1-CE1 4.45Å; F787-F810 AromaticContact CE2-CE1 3.85Å; F787-F810 HydrophobicContact CE2-CE1 3.85Å; F787-F810 AromaticContact CE2-CZ 3.77Å; F787-F810 HydrophobicContact CE2-CZ 3.77Å; F787-F810 AromaticContact CZ-CE1 3.73Å; F787-F810 HydrophobicContact CZ-CE1 3.73Å; F787-F810 HydrophobicContact CZ-CZ 4.02Å
788R88.9Confident88.5Confident142 Ų14260.1 Ų60.154%0.53635%0.354SS..  trans-149.8173.2-178-63-174.1-179.6-153.2-0.4110.6P786 T792 F793P786-R788 PolarHBondContact O-N 3.37Å; P786-R788 VanDerWaalsContact O-N 3.1Å; R788-T792 WeakPolarHBondContact CB-OG1 3.11Å; R788-F793 HydrophobicContact CB-CE1 4.14Å; R788-F793 HydrophobicContact CB-CZ 3.78Å
789K91Very high88.6Confident110 Ų11062 Ų6248%0.47836%0.363SS..  trans-61.6139.3174.6-74.7-168.9170.3-164.50111.1Y766 C791 T792Y766-K789 HydrophobicContact CD1-CG 4Å; Y766-K789 HydrophobicContact CD2-CD 4.3Å; Y766-K789 HydrophobicContact CD2-CG 3.59Å; Y766-K789 HydrophobicContact CE1-CG 4.37Å; Y766-K789 HydrophobicContact CE2-CG 3.98Å; Y766-K789 HydrophobicContact CG-CG 3.6Å; K789-C791 PolarHBondContact O-N 2.72Å; K789-C791 VanDerWaalsContact O-N 3.13Å; K789-T792 HydrophobicContact CB-CG2 4.31Å; K789-T792 WeakPolarHBondContact O-CB 3.26Å; K789-T792 PolarHBondContact O-N 2.9Å; K789-T792 PolarHBondContact O-OG1 3.5Å
790P89.3Confident88.8Confident2 Ų262.7 Ų62.71%0.01336%0.36CS..G310 helixtrans-53.4-34.1176.2-29.737.2000114.1R741 V744 Q745 F748 Y766 T792 F793 L798R741-P790 HydrophobicContact CB-CB 4.43Å; R741-P790 PolarHBondContact NH1-O 3.18Å; R741-P790 WeakPolarHBondContact O-CB 3.45Å; V744-P790 HydrophobicContact CB-CB 4.31Å; V744-P790 HydrophobicContact CB-CG 4.32Å; V744-P790 HydrophobicContact CG1-CB 4.29Å; V744-P790 HydrophobicContact CG1-CG 3.97Å; Q745-P790 HydrophobicContact CB-CB 4.46Å; Q745-P790 HydrophobicContact CB-CG 3.94Å; F748-P790 HydrophobicContact CD2-CG 3.97Å; F748-P790 HydrophobicContact CE2-CG 4.22Å; Y766-P790 WeakPolarHBondContact OH-CD 3.48Å; P790-T792 PolarHBondContact O-N 3.35Å; P790-F793 PolarHBondContact O-N 2.96Å; P790-L798 HydrophobicContact CB-CD2 3.98Å
791C85.7Confident89.2Confident84 Ų8461 Ų6157%0.56834%0.343SS*.G310 helixtrans-64.2-5.5174.5640000115.4K789K789-C791 PolarHBondContact O-N 2.72Å; K789-C791 VanDerWaalsContact O-N 3.13Å
792T87.3Confident89.2Confident83 Ų8361.4 Ų61.451%0.50935%0.345SS..G310 helixtrans-100.4-2.7177.765.40000114.4R788 K789 P790R788-T792 WeakPolarHBondContact CB-OG1 3.11Å; K789-T792 HydrophobicContact CB-CG2 4.31Å; K789-T792 WeakPolarHBondContact O-CB 3.26Å; K789-T792 PolarHBondContact O-N 2.9Å; K789-T792 PolarHBondContact O-OG1 3.5Å; P790-T792 PolarHBondContact O-N 3.35Å
793F87.9Confident89.3Confident16 Ų1665 Ų657%0.0738%0.376CS..SBendtrans-100.9160.7-178.5-60.7-49.2000112.7R741 I785 P786 R788 P790 N797 L798 I801R741-F793 PolarHBondContact NH1-O 2.84Å; R741-F793 PolarHBondContact NH2-O 2.8Å; R741-F793 VanDerWaalsContact NH2-O 3.11Å; I785-F793 HydrophobicContact CG2-CD1 4.47Å; I785-F793 HydrophobicContact CG2-CE1 3.82Å; I785-F793 HydrophobicContact CG2-CZ 3.96Å; P786-F793 WeakPolarHBondContact O-CZ 3.39Å; R788-F793 HydrophobicContact CB-CE1 4.14Å; R788-F793 HydrophobicContact CB-CZ 3.78Å; P790-F793 PolarHBondContact O-N 2.96Å; F793-N797 HydrophobicContact CB-CB 3.88Å; F793-N797 HydrophobicContact CD1-CB 4.41Å; F793-N797 HydrophobicContact CG-CB 4.32Å; F793-L798 HydrophobicContact CB-CD2 4.01Å; F793-L798 HydrophobicContact CB-CG 3.9Å; F793-L798 HydrophobicContact CD2-CD2 3.94Å; F793-L798 HydrophobicContact CG-CD2 4.48Å; F793-I801 HydrophobicContact CD2-CD1 3.69Å; F793-I801 HydrophobicContact CE2-CD1 3.56Å; F793-I801 HydrophobicContact CG-CD1 4.42Å; F793-I801 HydrophobicContact CZ-CD1 4.18Å
794G87.9Confident89.7Confident38 Ų3860.7 Ų60.739%0.39235%0.347SS..  trans-83.8169.216300000111.5Q796 N797 L798G794-Q796 PolarHBondContact O-N 3.41Å; G794-N797 PolarHBondContact O-N 3.23Å; G794-L798 WeakPolarHBondContact O-CG 3.47Å; G794-L798 PolarHBondContact O-N 2.94Å; G794-L798 VanDerWaalsContact O-N 3.12Å
795S87.3Confident90.1Very high37 Ų3757.5 Ų57.526%0.25931%0.313SS..Hα-helixtrans-55.5-51.5179.670.90000111.4N797 L798 E799S795-N797 PolarHBondContact O-N 3.46Å; S795-L798 CarbonylContact O-C 3.47Å; S795-L798 WeakPolarHBondContact O-CA 3.42Å; S795-L798 WeakPolarHBondContact O-CB 3.31Å; S795-L798 PolarHBondContact O-N 3.46Å; S795-E799 WeakPolarHBondContact CA-OE1 3.27Å; S795-E799 WeakPolarHBondContact CB-OE1 3.45Å; S795-E799 WeakPolarHBondContact O-CG 3.47Å; S795-E799 PolarHBondContact O-N 2.69Å; S795-E799 PolarHBondContact OG-OE1 3.37Å
796Q89.8Confident90.2Very high140 Ų14064 Ų6465%0.65435%0.348SS*.Hα-helixtrans-54.7-20.9174.9-66.9177.1-2400115.4G794 E799 R800G794-Q796 PolarHBondContact O-N 3.41Å; Q796-E799 WeakPolarHBondContact CA-OE2 3.35Å; Q796-E799 PolarHBondContact N-OE1 2.85Å; Q796-R800 VanDerWaalsContact O-CG 3.27Å; Q796-R800 WeakPolarHBondContact O-CG 3.49Å; Q796-R800 PolarHBondContact O-NE 3.49Å
797N90.6Very high90.3Very high49 Ų4968.3 Ų68.326%0.26236%0.359SS..Hα-helixtrans-91-31174.9-74.710.3000111.3I785 F793 G794 S795 R800 I801I785-N797 HydrophobicContact CD1-CB 4.11Å; F793-N797 HydrophobicContact CB-CB 3.88Å; F793-N797 HydrophobicContact CD1-CB 4.41Å; F793-N797 HydrophobicContact CG-CB 4.32Å; G794-N797 PolarHBondContact O-N 3.23Å; S795-N797 PolarHBondContact O-N 3.46Å; N797-R800 PolarHBondContact OD1-NH2 2.93Å; N797-I801 VanDerWaalsContact O-CD1 3.31Å; N797-I801 WeakPolarHBondContact O-CD1 3.26Å; N797-I801 WeakPolarHBondContact O-CG1 3.46Å; N797-I801 PolarHBondContact O-N 2.87Å
798L93.3Very high90.5Very high0 Ų066.3 Ų66.30%035%0.351CS..Hα-helixtrans-73.2-46.1174.6-63.5159.4000110.6L740 R741 V744 P790 F793 G794 S795 R800 I801 L802L740-L798 HydrophobicContact CB-CB 3.8Å; L740-L798 HydrophobicContact CB-CD1 3.91Å; L740-L798 HydrophobicContact CB-CG 4.45Å; R741-L798 HydrophobicContact CG-CD1 3.73Å; V744-L798 HydrophobicContact CB-CD2 3.83Å; V744-L798 HydrophobicContact CG1-CD2 4.11Å; V744-L798 HydrophobicContact CG2-CB 3.97Å; V744-L798 HydrophobicContact CG2-CD2 3.76Å; P790-L798 HydrophobicContact CB-CD2 3.98Å; F793-L798 HydrophobicContact CB-CD2 4.01Å; F793-L798 HydrophobicContact CB-CG 3.9Å; F793-L798 HydrophobicContact CD2-CD2 3.94Å; F793-L798 HydrophobicContact CG-CD2 4.48Å; G794-L798 WeakPolarHBondContact O-CG 3.47Å; G794-L798 PolarHBondContact O-N 2.94Å; G794-L798 VanDerWaalsContact O-N 3.12Å; S795-L798 CarbonylContact O-C 3.47Å; S795-L798 WeakPolarHBondContact O-CA 3.42Å; S795-L798 WeakPolarHBondContact O-CB 3.31Å; S795-L798 PolarHBondContact O-N 3.46Å; L798-R800 VanDerWaalsContact C-N 3.31Å; L798-R800 PolarHBondContact O-N 3.38Å; L798-I801 WeakPolarHBondContact O-CB 3.24Å; L798-I801 PolarHBondContact O-N 3.32Å; L798-L802 WeakPolarHBondContact O-CG 3.48Å; L798-L802 PolarHBondContact O-N 3.49Å
799E91.3Very high90.5Very high77 Ų7761.5 Ų61.536%0.3634%0.339SS..Hα-helixtrans-50.4-49.6170.7-68.7149.1-13900111L740 S795 Q796 I801 L802 A803L740-E799 HydrophobicContact CD1-CG 3.78Å; L740-E799 WeakPolarHBondContact CD1-OE1 3.38Å; L740-E799 HydrophobicContact CD2-CG 3.99Å; S795-E799 WeakPolarHBondContact CA-OE1 3.27Å; S795-E799 WeakPolarHBondContact CB-OE1 3.45Å; S795-E799 WeakPolarHBondContact O-CG 3.47Å; S795-E799 PolarHBondContact O-N 2.69Å; S795-E799 PolarHBondContact OG-OE1 3.37Å; Q796-E799 WeakPolarHBondContact CA-OE2 3.35Å; Q796-E799 PolarHBondContact N-OE1 2.85Å; E799-I801 VanDerWaalsContact C-N 3.34Å; E799-I801 PolarHBondContact O-N 2.95Å; E799-L802 PolarHBondContact O-N 2.9Å; E799-A803 WeakPolarHBondContact O-CB 3.35Å; E799-A803 PolarHBondContact O-N 2.87Å
800R92.9Very high90.5Very high120 Ų12056.8 Ų56.845%0.45332%0.318SS..Hα-helixtrans-65.9-29.6177.1-74.8-171.4-64.8155.3-5.5114.2P782 I785 Q796 N797 L798P782-R800 HydrophobicContact CG-CB 4.36Å; P782-R800 WeakPolarHBondContact CG-O 3.49Å; I785-R800 HydrophobicContact CD1-CB 4.19Å; Q796-R800 VanDerWaalsContact O-CG 3.27Å; Q796-R800 WeakPolarHBondContact O-CG 3.49Å; Q796-R800 PolarHBondContact O-NE 3.49Å; N797-R800 PolarHBondContact OD1-NH2 2.93Å; L798-R800 VanDerWaalsContact C-N 3.31Å; L798-R800 PolarHBondContact O-N 3.38Å
801I93.9Very high90.3Very high0 Ų059.6 Ų59.60%034%0.335CS..Hα-helixtrans-71.2-42.1172.6-68.7160.2000110.4V744 L747 F748 P782 I785 F793 N797 L798 E799 A803 V804 A805 I808V744-I801 HydrophobicContact CG1-CB 4.33Å; V744-I801 HydrophobicContact CG1-CD1 4.25Å; V744-I801 HydrophobicContact CG1-CG2 3.68Å; V744-I801 HydrophobicContact CG2-CB 4.3Å; V744-I801 HydrophobicContact CG2-CG2 4.21Å; L747-I801 HydrophobicContact CD2-CG2 4.37Å; F748-I801 HydrophobicContact CE1-CG2 3.81Å; F748-I801 HydrophobicContact CZ-CD1 4.31Å; F748-I801 HydrophobicContact CZ-CG2 3.8Å; P782-I801 HydrophobicContact CG-CG1 4.21Å; I785-I801 HydrophobicContact CD1-CG1 4.39Å; I785-I801 HydrophobicContact CG2-CD1 4.03Å; I785-I801 HydrophobicContact CG2-CG1 4.23Å; F793-I801 HydrophobicContact CD2-CD1 3.69Å; F793-I801 HydrophobicContact CE2-CD1 3.56Å; F793-I801 HydrophobicContact CG-CD1 4.42Å; F793-I801 HydrophobicContact CZ-CD1 4.18Å; N797-I801 VanDerWaalsContact O-CD1 3.31Å; N797-I801 WeakPolarHBondContact O-CD1 3.26Å; N797-I801 WeakPolarHBondContact O-CG1 3.46Å; N797-I801 PolarHBondContact O-N 2.87Å; L798-I801 WeakPolarHBondContact O-CB 3.24Å; L798-I801 PolarHBondContact O-N 3.32Å; E799-I801 VanDerWaalsContact C-N 3.34Å; E799-I801 PolarHBondContact O-N 2.95Å; I801-A803 VanDerWaalsContact C-N 3.35Å; I801-V804 PolarHBondContact O-N 2.87Å; I801-A805 PolarHBondContact O-N 2.67Å; I801-I808 HydrophobicContact CG2-CD1 3.71Å; I801-I808 WeakPolarHBondContact O-CD1 3.39Å
802L91.9Very high90.3Very high48 Ų4857.3 Ų57.325%0.25132%0.317SS..Hα-helixtrans-65.1-37.9176-64.6174.7000111.9L740 Q743 V744 L747 L798 E799 V804 A805L740-L802 HydrophobicContact CD2-CD1 3.65Å; Q743-L802 HydrophobicContact CB-CD1 4.05Å; Q743-L802 HydrophobicContact CB-CD2 4.11Å; V744-L802 HydrophobicContact CG2-CD1 4.18Å; V744-L802 HydrophobicContact CG2-CD2 3.6Å; V744-L802 HydrophobicContact CG2-CG 3.59Å; L747-L802 HydrophobicContact CD2-CD2 4.05Å; L798-L802 WeakPolarHBondContact O-CG 3.48Å; L798-L802 PolarHBondContact O-N 3.49Å; E799-L802 PolarHBondContact O-N 2.9Å; L802-V804 PolarHBondContact O-N 3.43Å; L802-A805 WeakPolarHBondContact O-CB 3.43Å; L802-A805 PolarHBondContact O-N 3.17Å
803A91.9Very high89.8Confident86 Ų8657.1 Ų57.171%0.71132%0.316SS*.THydrogen-bonded Turntrans-64.5-10.2177.900000114.6E799 I801E799-A803 WeakPolarHBondContact O-CB 3.35Å; E799-A803 PolarHBondContact O-N 2.87Å; I801-A803 VanDerWaalsContact C-N 3.35Å
804V93.6Very high88.9Confident34 Ų3465 Ų6521%0.20635%0.345CS..THydrogen-bonded Turntrans-123.418.1172.5-54.90000112.7G780 P782 I801 L802 D806 K807 I808G780-V804 VanDerWaalsContact O-CG2 3.31Å; G780-V804 WeakPolarHBondContact O-CG2 3.43Å; P782-V804 HydrophobicContact CG-CG2 3.64Å; I801-V804 PolarHBondContact O-N 2.87Å; L802-V804 PolarHBondContact O-N 3.43Å; V804-D806 PolarHBondContact O-N 2.85Å; V804-D806 VanDerWaalsContact O-N 3.09Å; V804-K807 WeakPolarHBondContact O-CB 3.4Å; V804-K807 PolarHBondContact O-N 3.06Å; V804-I808 HydrophobicContact CG2-CD1 3.87Å; V804-I808 HydrophobicContact CG2-CG1 4.11Å; V804-I808 PolarHBondContact O-N 3.29Å
805A91.1Very high87.7Confident18 Ų1866.6 Ų66.615%0.14935%0.349CS..THydrogen-bonded Turntrans-49.5-39.8-172.900000114.6L747 K751 I801 L802 K807 I808L747-A805 HydrophobicContact CD1-CB 3.81Å; L747-A805 HydrophobicContact CD2-CB 3.56Å; L747-A805 HydrophobicContact CG-CB 4.35Å; K751-A805 WeakPolarHBondContact CE-O 3.09Å; I801-A805 PolarHBondContact O-N 2.67Å; L802-A805 WeakPolarHBondContact O-CB 3.43Å; L802-A805 PolarHBondContact O-N 3.17Å; A805-K807 VanDerWaalsContact C-N 3.33Å; A805-K807 PolarHBondContact O-N 2.95Å; A805-I808 PolarHBondContact O-N 3.37Å
806D91Very high86.6Confident149 Ų14965.8 Ų65.880%0.79734%0.341SS*.THydrogen-bonded Turntrans-70.1-31.1-178.5-55.6-53.1000112.8K751 V804K751-D806 PolarHBondContact NZ-O 3.33Å; V804-D806 PolarHBondContact O-N 2.85Å; V804-D806 VanDerWaalsContact O-N 3.09Å
807K89.9Confident84.7Confident160 Ų16067.7 Ų67.770%0.69635%0.349SS*.THydrogen-bonded Turntrans-78-22.1178.1-59.1-178-179178.90112.4G780 V804 A805 S809G780-K807 WeakPolarHBondContact CA-O 3.3Å; V804-K807 WeakPolarHBondContact O-CB 3.4Å; V804-K807 PolarHBondContact O-N 3.06Å; A805-K807 VanDerWaalsContact C-N 3.33Å; A805-K807 PolarHBondContact O-N 2.95Å; K807-S809 PolarHBondContact O-N 3.07Å
808I93.3Very high83Confident0 Ų069 Ų690%037%0.374CS..  trans-72.1123-178.8-67.4163.9000110.2L747 F748 K751 I778 E779 G780 L781 I801 V804 A805 F810L747-I808 HydrophobicContact CD2-CD1 4.39Å; F748-I808 HydrophobicContact CE1-CD1 4.33Å; F748-I808 HydrophobicContact CE1-CG2 4.37Å; K751-I808 VanDerWaalsContact CD-O 3.26Å; K751-I808 WeakPolarHBondContact CD-O 3.32Å; K751-I808 WeakPolarHBondContact CE-O 3.49Å; K751-I808 PolarHBondContact NZ-O 2.67Å; I778-I808 HydrophobicContact CG2-CG2 4.49Å; E779-I808 WeakPolarHBondContact O-CA 3.33Å; G780-I808 WeakPolarHBondContact O-CG1 3.35Å; L781-I808 HydrophobicContact CD2-CD1 3.98Å; L781-I808 HydrophobicContact CD2-CG1 4.22Å; I801-I808 HydrophobicContact CG2-CD1 3.71Å; I801-I808 WeakPolarHBondContact O-CD1 3.39Å; V804-I808 HydrophobicContact CG2-CD1 3.87Å; V804-I808 HydrophobicContact CG2-CG1 4.11Å; V804-I808 PolarHBondContact O-N 3.29Å; A805-I808 PolarHBondContact O-N 3.37Å; I808-F810 HydrophobicContact CG2-CE2 4.27Å
809S89.5Confident80.8Confident41 Ų4172.8 Ų72.829%0.28739%0.394SS..EExtended strand (participates in β ladder)trans-131.1159.617669.40000110.7I778 E779 K807I778-S809 WeakPolarHBondContact CA-O 3.17Å; I778-S809 WeakPolarHBondContact CG2-O 3.28Å; E779-S809 PolarHBondContact N-O 2.84Å; E779-S809 VanDerWaalsContact N-O 3.11Å; E779-S809 PolarHBondContact O-N 2.93Å; K807-S809 PolarHBondContact O-N 3.07Å
810F91Very high78.7Confident10 Ų1071.6 Ų71.64%0.04439%0.39CS..EExtended strand (participates in β ladder)trans-121.8133.9170.4-69.7-105.4000108.1F748 K751 Y752 A755 V764 V776 I777 I778 F787 I808F748-F810 HydrophobicContact CB-CZ 4.32Å; F748-F810 HydrophobicContact CD1-CE2 4.35Å; F748-F810 HydrophobicContact CD1-CZ 4.21Å; F748-F810 HydrophobicContact CG-CZ 4.41Å; K751-F810 HydrophobicContact CB-CD2 3.67Å; K751-F810 HydrophobicContact CB-CE2 3.75Å; Y752-F810 HydrophobicContact CD2-CB 4.5Å; Y752-F810 AromaticContact CD2-CD1 3.89Å; Y752-F810 HydrophobicContact CD2-CD1 3.89Å; Y752-F810 HydrophobicContact CD2-CE1 4.35Å; Y752-F810 HydrophobicContact CD2-CG 4.27Å; A755-F810 HydrophobicContact CB-CB 3.67Å; A755-F810 WeakPolarHBondContact CB-O 3.29Å; V764-F810 HydrophobicContact CG1-CE1 4.33Å; V776-F810 HydrophobicContact CG1-CB 4.45Å; V776-F810 HydrophobicContact CG1-CD1 3.86Å; I777-F810 WeakPolarHBondContact O-CA 3.42Å; I778-F810 HydrophobicContact CB-CD1 4.5Å; I778-F810 HydrophobicContact CG1-CD1 3.57Å; I778-F810 HydrophobicContact CG1-CE1 3.59Å; I778-F810 HydrophobicContact CG1-CG 4.42Å; I778-F810 HydrophobicContact CG1-CZ 4.43Å; I778-F810 HydrophobicContact CG2-CD1 4.34Å; I778-F810 HydrophobicContact CG2-CE1 4.18Å; I778-F810 HydrophobicContact CG2-CE2 4.47Å; I778-F810 HydrophobicContact CG2-CZ 4.25Å; F787-F810 HydrophobicContact CE1-CE1 4.45Å; F787-F810 AromaticContact CE2-CE1 3.85Å; F787-F810 HydrophobicContact CE2-CE1 3.85Å; F787-F810 AromaticContact CE2-CZ 3.77Å; F787-F810 HydrophobicContact CE2-CZ 3.77Å; F787-F810 AromaticContact CZ-CE1 3.73Å; F787-F810 HydrophobicContact CZ-CE1 3.73Å; F787-F810 HydrophobicContact CZ-CZ 4.02Å; I808-F810 HydrophobicContact CG2-CE2 4.27Å
811T86Confident76.1Confident61 Ų6171 Ų7137%0.37440%0.401SS..EExtended strand (participates in β ladder)trans-121.8109.1179.1-62.30000108.7V776 I777 T813V776-T811 WeakPolarHBondContact CA-O 3.39Å; I777-T811 PolarHBondContact N-O 3.06Å; I777-T811 PolarHBondContact O-N 2.91Å; T811-T813 PolarHBondContact O-N 3.04Å
812I84.3Confident73.1Confident37 Ų3780.2 Ų80.219%0.1944%0.441CS..  trans-92.785.2-170.6-56.2179.3000109.8Y752 A755 L756 V776 R814 P815Y752-I812 HydrophobicContact CD2-CD1 4.22Å; Y752-I812 HydrophobicContact CE2-CD1 3.77Å; Y752-I812 HydrophobicContact CE2-CG1 4.46Å; A755-I812 HydrophobicContact CB-CD1 3.98Å; A755-I812 HydrophobicContact CB-CG1 4.18Å; L756-I812 HydrophobicContact CD2-CD1 3.49Å; L756-I812 VanDerWaalsContact CD2-CD1 3.49Å; L756-I812 HydrophobicContact CG-CD1 3.59Å; V776-I812 HydrophobicContact CG1-CG1 4.32Å; V776-I812 HydrophobicContact CG2-CG1 4.23Å; V776-I812 HydrophobicContact CG2-CG2 4.33Å; I812-R814 VanDerWaalsContact C-N 3.33Å; I812-P815 HydrophobicContact CG2-CB 4.3Å
813T77.1Confident70.7Confident78 Ų7883 Ų8348%0.47946%0.462SS..SBendtrans-66.3-29.6176.342.20000113.4D774 S775 I777 T811D774-T813 PolarHBondContact O-OG1 3.19Å; S775-T813 PolarHBondContact O-N 3.47Å; S775-T813 PolarHBondContact O-OG1 2.89Å; I777-T813 HydrophobicContact CD1-CG2 3.88Å; I777-T813 HydrophobicContact CG1-CG2 4.35Å; T811-T813 PolarHBondContact O-N 3.04Å
814R68.6Low67.8Low181 Ų18182.8 Ų82.868%0.68346%0.461SS*.SBendtrans-143.1104.2174.1-168.2169.1-71.1-175.2-0.4111.7S775 I812 F816S775-R814 PolarHBondContact O-N 3.3Å; I812-R814 VanDerWaalsContact C-N 3.33Å; R814-F816 PolarHBondContact O-N 2.9Å
815P64.1Low65.1Low73 Ų7387.2 Ų87.247%0.47449%0.49SS..  trans-62.2129.2-177.320.9-31.4000112.9I812 Q817 I820I812-P815 HydrophobicContact CG2-CB 4.3Å; P815-Q817 PolarHBondContact O-N 3.18Å; P815-Q817 VanDerWaalsContact O-N 3.09Å; P815-I820 HydrophobicContact CB-CD1 3.39Å
816F64.4Low62.7Low20 Ų2097.1 Ų97.19%0.08852%0.524CS..  trans-67.3108.3178-65.3-58.9000111.6P765 R768 I769 N772 V776 R814 G818 L819P765-F816 HydrophobicContact CG-CD2 3.85Å; P765-F816 HydrophobicContact CG-CE2 4.04Å; R768-F816 HydrophobicContact CB-CD1 3.96Å; R768-F816 HydrophobicContact CB-CD2 4.21Å; R768-F816 HydrophobicContact CB-CE1 3.72Å; R768-F816 HydrophobicContact CB-CE2 3.97Å; R768-F816 HydrophobicContact CB-CG 4.22Å; R768-F816 HydrophobicContact CB-CZ 3.73Å; I769-F816 HydrophobicContact CG1-CE2 3.63Å; I769-F816 HydrophobicContact CG1-CZ 3.98Å; N772-F816 HydrophobicContact CB-CE1 4.49Å; V776-F816 HydrophobicContact CG2-CD2 4.33Å; V776-F816 HydrophobicContact CG2-CE2 3.53Å; V776-F816 HydrophobicContact CG2-CZ 4Å; R814-F816 PolarHBondContact O-N 2.9Å; F816-G818 PolarHBondContact O-N 3.37Å; F816-L819 PolarHBondContact O-N 2.99Å
817Q49.7Very low60Low179 Ų179101.5 Ų101.584%0.83653%0.529SS*.THydrogen-bonded Turntrans-55.4137.9177-62.1-172.25.600111.6R768 P815R768-Q817 PolarHBondContact NH1-O 3.06Å; P815-Q817 PolarHBondContact O-N 3.18Å; P815-Q817 VanDerWaalsContact O-N 3.09Å
818G54.7Low57.4Low76 Ų7699.1 Ų99.178%0.78453%0.528SS*.THydrogen-bonded Turntrans79.58.9-178.800000116.3F816F816-G818 PolarHBondContact O-N 3.37Å
819L47.7Very low54.8Low80 Ų80105.3 Ų105.342%0.41957%0.566SS.*SBendtrans-123.43.5172-78.9176.6000114.6P765 F816P765-L819 HydrophobicContact CB-CD1 3.65Å; P765-L819 HydrophobicContact CG-CD1 4.18Å; F816-L819 PolarHBondContact O-N 2.99Å
820I46.6Very low52.2Low52 Ų52110.4 Ų110.427%0.26759%0.589SS.*SBendtrans-111.3126.2176.6-61179.2000108L756 P815 K822L756-I820 HydrophobicContact CD2-CD1 3.63Å; L756-I820 HydrophobicContact CD2-CG1 3.93Å; P815-I820 HydrophobicContact CB-CD1 3.39Å; I820-K822 PolarHBondContact O-N 3.21Å; I820-K822 VanDerWaalsContact O-N 3.09Å
821P37.8Very low49.5Very low107 Ų107116.8 Ų116.870%0.69562%0.623SS**  trans-60.9110.5163.3-14.729000107.5P823P821-P823 VanDerWaalsContact O-CD 3.23Å; P821-P823 WeakPolarHBondContact O-CD 3.22Å; P821-P823 VanDerWaalsContact O-N 3.17Å
822K31.1Very low47Very low194 Ų194123.5 Ų123.584%0.84365%0.647SS**PPolyproline II helixtrans-53.4120.3-170.7-70.8-178.2179.2178.50111.3I820I820-K822 PolarHBondContact O-N 3.21Å; I820-K822 VanDerWaalsContact O-N 3.09Å
823P40.9Very low44.7Very low106 Ų106131.2 Ų131.269%0.68868%0.679SS**PPolyproline II helixtrans-59.4140.8147.9-13.629.9000107.8P821P821-P823 VanDerWaalsContact O-CD 3.23Å; P821-P823 WeakPolarHBondContact O-CD 3.22Å; P821-P823 VanDerWaalsContact O-N 3.17Å
824A31.4Very low42.3Very low83 Ų83131.8 Ų131.869%0.68669%0.692SS**PPolyproline II helixtrans-62.9146.1179.400000111.1R826A824-R826 PolarHBondContact O-N 2.58Å
825P37.1Very low40.5Very low126 Ų126133.7 Ų133.782%0.81870%0.7SS**  trans-70.1101.7-171.1-17.732.1000112.6R827P825-R827 PolarHBondContact O-N 3.47Å; P825-R827 VanDerWaalsContact O-N 3.16Å
826R39.8Very low39.2Very low227 Ų227134.8 Ų134.886%0.85772%0.716SS**  trans-77.397.9171.5-81.2-170.9170.3178.6-2.8110.7A824 V828A824-R826 PolarHBondContact O-N 2.58Å; R826-V828 HydrophobicContact CB-CG2 4.19Å; R826-V828 PolarHBondContact O-N 3.19Å
827R35.3Very low38.1Very low240 Ų240138.5 Ų138.591%0.90674%0.744SS**  trans-63.694.6160.8-88.9176.957.3169.8-4109.2P825P825-R827 PolarHBondContact O-N 3.47Å; P825-R827 VanDerWaalsContact O-N 3.16Å
828V35Very low37.5Very low111 Ų111137.2 Ų137.267%0.67374%0.742SS**  trans-119.968.9170.3-170.80000110.3R826R826-V828 HydrophobicContact CB-CG2 4.19Å; R826-V828 PolarHBondContact O-N 3.19Å
829T39Very low36.9Very low129 Ų129137.9 Ų137.979%0.79173%0.734SS**  trans-114.964.7155.653.80000108.4
830L34.8Very low36.8Very low149 Ų149139.1 Ų139.178%0.7874%0.741SS**SBendtrans-172.4115.3147.4-102.4167.3000110.9
831L33.3Very low36.7Very low143 Ų143141.9 Ų141.975%0.74976%0.757SS**  trans20.2104156.3-83.952.2000119.8K833L831-K833 PolarHBondContact O-N 2.83Å
832K33.8Very low37Very low203 Ų203142.2 Ų142.288%0.88375%0.753SS**SBend52.115.995.6-155.8170.5178.2176.90119.1
833K35.6Very low37.9Very low199 Ų199138 Ų13887%0.86574%0.739SS**  trans-134.5-5-178.1-135.3-179.1-177.1-175.60116.9L831L831-K833 PolarHBondContact O-N 2.83Å
834A27.8Very low38.3Very low90 Ų90138.7 Ų138.774%0.74474%0.736SS**  trans-97.512.7177.600000114.1A836A834-A836 PolarHBondContact O-N 3Å; A834-A836 VanDerWaalsContact O-N 3.11Å
835Y31.3Very low39.4Very low220 Ų220139.3 Ų139.386%0.86373%0.728SS**THydrogen-bonded Turntrans-82.921.3-167.8-117.7-83.6000115
836A36.5Very low40.5Very low97 Ų97139.5 Ų139.580%0.80271%0.712SS**THydrogen-bonded Turntrans-127.9-7.7-165.500000115.6A834A834-A836 PolarHBondContact O-N 3Å; A834-A836 VanDerWaalsContact O-N 3.11Å
837S39.8Very low41.3Very low98 Ų98134.6 Ų134.669%0.68570%0.7SS**SBendtrans-158.699.3-174.358.60000113.4
838I37.8Very low42.9Very low152 Ų152125.1 Ų125.178%0.77968%0.677SS**  trans171.7144.1137.6-87.6154.5000106.8D840I838-D840 WeakPolarHBondContact CG2-OD1 3.31Å
839S42.7Very low44.9Very low90 Ų90124.5 Ų124.563%0.62967%0.667SS**  trans-117.298.5-172.5178.80000110.4D841S839-D841 VanDerWaalsContact C-N 3.29Å; S839-D841 PolarHBondContact O-N 3.42Å; S839-D841 VanDerWaalsContact O-N 3.16Å
840D44.7Very low46.9Very low106 Ų106121.3 Ų121.357%0.56764%0.642SS**THydrogen-bonded Turntrans-89.845.3-173.8-61.5-32.2000113.6I838 D843 I844I838-D840 WeakPolarHBondContact CG2-OD1 3.31Å; D840-D843 HydrophobicContact CB-CB 4.46Å; D840-I844 WeakPolarHBondContact O-CD1 3.48Å; D840-I844 WeakPolarHBondContact O-CG1 3.26Å
841D44.3Very low49.1Very low110 Ų110118.4 Ų118.459%0.58863%0.631SS**THydrogen-bonded Turntrans-79.8-42.7162.6-128.7-74.3000109.3S839 D843 I844 N845S839-D841 VanDerWaalsContact C-N 3.29Å; S839-D841 PolarHBondContact O-N 3.42Å; S839-D841 VanDerWaalsContact O-N 3.16Å; D841-D843 VanDerWaalsContact C-N 3.3Å; D841-D843 PolarHBondContact O-N 3.06Å; D841-I844 PolarHBondContact O-N 3.07Å; D841-N845 PolarHBondContact O-N 3.01Å; D841-N845 VanDerWaalsContact O-N 3.08Å; D841-N845 PolarHBondContact O-ND2 2.97Å
842D45.8Very low51.6Low114 Ų114115.5 Ų115.561%0.6162%0.618SS**Hα-helixtrans-59.5-35.3178.7-65.1-59.8000113.4N845 R846D842-N845 PolarHBondContact O-N 3.01Å; D842-R846 WeakPolarHBondContact O-CB 3.48Å; D842-R846 WeakPolarHBondContact O-CG 3.44Å; D842-R846 PolarHBondContact O-N 3.46Å
843D49Very low54.3Low105 Ų105106.7 Ų106.756%0.56158%0.581SS**Hα-helixtrans-76.9-26.9-177.7-134.536.6000112.3D840 D841 M847D840-D843 HydrophobicContact CB-CB 4.46Å; D841-D843 VanDerWaalsContact C-N 3.3Å; D841-D843 PolarHBondContact O-N 3.06Å; D843-M847 PolarHBondContact O-N 2.93Å
844I49.7Very low56.9Low121 Ų121100 Ų10062%0.62155%0.551SS**Hα-helixtrans-71.4-44.1169.9-63.2173.5000109.6D840 D841 M847 G848D840-I844 WeakPolarHBondContact O-CD1 3.48Å; D840-I844 WeakPolarHBondContact O-CG1 3.26Å; D841-I844 PolarHBondContact O-N 3.07Å; I844-M847 PolarHBondContact O-N 3.05Å; I844-G848 PolarHBondContact O-N 3.47Å
845N54.3Low59.9Low95 Ų95100.2 Ų100.251%0.50854%0.536SS..Hα-helixtrans-62.5-45.6176.3-70.2-49.2000111.6D841 D842 M847 G848 E849D841-N845 PolarHBondContact O-N 3.01Å; D841-N845 VanDerWaalsContact O-N 3.08Å; D841-N845 PolarHBondContact O-ND2 2.97Å; D842-N845 PolarHBondContact O-N 3.01Å; N845-M847 VanDerWaalsContact C-N 3.28Å; N845-M847 PolarHBondContact O-N 3.47Å; N845-G848 PolarHBondContact O-N 3.01Å; N845-G848 VanDerWaalsContact O-N 3.11Å; N845-E849 WeakPolarHBondContact O-CB 3.46Å; N845-E849 PolarHBondContact O-N 2.82Å
846R60.2Low62.6Low130 Ų13094 Ų9449%0.49152%0.515SS..Hα-helixtrans-56.3-35.9172.8-84.1178.6165.5-94.1-15.6113.5D842 K850D842-R846 WeakPolarHBondContact O-CB 3.48Å; D842-R846 WeakPolarHBondContact O-CG 3.44Å; D842-R846 PolarHBondContact O-N 3.46Å; R846-K850 WeakPolarHBondContact O-CB 3.31Å; R846-K850 PolarHBondContact O-N 3.2Å
847M55.8Low65.3Low124 Ų12489.4 Ų89.461%0.61148%0.477SS*.Hα-helixtrans-70.3-39.4177.1-169.862.865.500111.9D843 I844 N845 V851D843-M847 PolarHBondContact O-N 2.93Å; I844-M847 PolarHBondContact O-N 3.05Å; N845-M847 VanDerWaalsContact C-N 3.28Å; N845-M847 PolarHBondContact O-N 3.47Å; M847-V851 WeakPolarHBondContact O-CG2 3.41Å; M847-V851 PolarHBondContact O-N 3.1Å
848G69.4Low67.7Low41 Ų4188.1 Ų88.142%0.42346%0.459SS..Hα-helixtrans-64.8-50.5173.500000112.1I844 N845 K850 V851 V852I844-G848 PolarHBondContact O-N 3.47Å; N845-G848 PolarHBondContact O-N 3.01Å; N845-G848 VanDerWaalsContact O-N 3.11Å; G848-K850 PolarHBondContact O-N 3.42Å; G848-V851 WeakPolarHBondContact O-CB 3.29Å; G848-V851 PolarHBondContact O-N 3.28Å; G848-V852 PolarHBondContact O-N 3.45Å; G848-V852 VanDerWaalsContact O-N 3.07Å
849E77.3Confident70.2Confident99 Ų9986.9 Ų86.946%0.46345%0.45SS..Hα-helixtrans-53.7-48.6175.6-177.9175.5-130.400111.8N845 V851 V852 L853 I908N845-E849 WeakPolarHBondContact O-CB 3.46Å; N845-E849 PolarHBondContact O-N 2.82Å; E849-V851 PolarHBondContact O-N 3.48Å; E849-V852 PolarHBondContact O-N 3.48Å; E849-V852 VanDerWaalsContact O-N 3.08Å; E849-L853 HydrophobicContact CG-CD1 3.85Å; E849-L853 HydrophobicContact CG-CG 4.37Å; E849-L853 WeakPolarHBondContact O-CB 3.45Å; E849-L853 VanDerWaalsContact O-CG 3.3Å; E849-L853 WeakPolarHBondContact O-CG 3.46Å; E849-L853 PolarHBondContact O-N 2.95Å; E849-I908 HydrophobicContact CB-CD1 4.41Å; E849-I908 HydrophobicContact CG-CD1 4.13Å
850K80.5Confident72.6Confident61 Ų6183.8 Ų83.827%0.26543%0.426SS..Hα-helixtrans-60.6-28.9176.3-171.6173-174.9173.30113.7R846 G848 R854 I908 L911R846-K850 WeakPolarHBondContact O-CB 3.31Å; R846-K850 PolarHBondContact O-N 3.2Å; G848-K850 PolarHBondContact O-N 3.42Å; K850-R854 WeakPolarHBondContact O-CB 3.45Å; K850-R854 WeakPolarHBondContact O-CD 3.12Å; K850-R854 WeakPolarHBondContact O-CG 3.34Å; K850-R854 PolarHBondContact O-N 2.9Å; K850-I908 HydrophobicContact CB-CB 4.5Å; K850-I908 HydrophobicContact CB-CD1 4.02Å; K850-I908 HydrophobicContact CB-CG1 4.01Å; K850-I908 HydrophobicContact CD-CB 4.3Å; K850-I908 HydrophobicContact CG-CB 4.31Å; K850-I908 HydrophobicContact CG-CG1 4.27Å; K850-L911 HydrophobicContact CG-CD1 4.45Å
851V82.1Confident74.8Confident89 Ų8978.7 Ų78.754%0.53940%0.399SS..Hα-helixtrans-75.9-40.1174171.60000111.1M847 G848 E849 R854 E855M847-V851 WeakPolarHBondContact O-CG2 3.41Å; M847-V851 PolarHBondContact O-N 3.1Å; G848-V851 WeakPolarHBondContact O-CB 3.29Å; G848-V851 PolarHBondContact O-N 3.28Å; E849-V851 PolarHBondContact O-N 3.48Å; V851-R854 PolarHBondContact O-N 2.66Å; V851-E855 PolarHBondContact O-N 3.23Å
852V85.9Confident77.1Confident81 Ų8174.6 Ų74.649%0.49138%0.377SS..Hα-helixtrans-62.4-50.8175174.90000110.9G848 E849 R854 E855 Q856G848-V852 PolarHBondContact O-N 3.45Å; G848-V852 VanDerWaalsContact O-N 3.07Å; E849-V852 PolarHBondContact O-N 3.48Å; E849-V852 VanDerWaalsContact O-N 3.08Å; V852-R854 PolarHBondContact O-N 3.31Å; V852-E855 PolarHBondContact O-N 3.28Å; V852-E855 VanDerWaalsContact O-N 3.13Å; V852-Q856 HydrophobicContact CG1-CG 4.38Å; V852-Q856 WeakPolarHBondContact O-CG 3.36Å; V852-Q856 PolarHBondContact O-N 3.03Å
853L89.4Confident79.2Confident19 Ų1974.5 Ų74.510%0.09937%0.371CS..Hα-helixtrans-57.9-34.8177.9-68.8167.7000112.5E849 V857 I908 L911 E912 L915E849-L853 HydrophobicContact CG-CD1 3.85Å; E849-L853 HydrophobicContact CG-CG 4.37Å; E849-L853 WeakPolarHBondContact O-CB 3.45Å; E849-L853 VanDerWaalsContact O-CG 3.3Å; E849-L853 WeakPolarHBondContact O-CG 3.46Å; E849-L853 PolarHBondContact O-N 2.95Å; L853-V857 WeakPolarHBondContact O-CG2 3.33Å; L853-V857 PolarHBondContact O-N 3.5Å; L853-I908 HydrophobicContact CD1-CD1 4.17Å; L853-I908 HydrophobicContact CD1-CG1 3.51Å; L853-L911 HydrophobicContact CB-CB 3.94Å; L853-L911 HydrophobicContact CB-CD1 4.08Å; L853-E912 HydrophobicContact CD1-CG 3.91Å; L853-E912 HydrophobicContact CD2-CG 4.33Å; L853-L915 HydrophobicContact CD2-CD1 3.56Å
854R90.8Very high81.2Confident59 Ų5971.4 Ų71.422%0.22335%0.352CS..Hα-helixtrans-66.2-42.5176.2-82171.6175-154-11.2113.2K850 V851 V852 K858 N904 Y906 L911K850-R854 WeakPolarHBondContact O-CB 3.45Å; K850-R854 WeakPolarHBondContact O-CD 3.12Å; K850-R854 WeakPolarHBondContact O-CG 3.34Å; K850-R854 PolarHBondContact O-N 2.9Å; V851-R854 PolarHBondContact O-N 2.66Å; V852-R854 PolarHBondContact O-N 3.31Å; R854-K858 WeakPolarHBondContact O-CB 3.38Å; R854-K858 PolarHBondContact O-N 3.46Å; R854-N904 VanDerWaalsContact CZ-O 3.24Å; R854-N904 PolarHBondContact NH1-O 3.14Å; R854-N904 PolarHBondContact NH2-O 3.08Å; R854-Y906 PolarHBondContact NH2-O 3.46Å; R854-L911 HydrophobicContact CG-CD1 3.49Å; R854-L911 VanDerWaalsContact CG-CD1 3.49Å; R854-L911 HydrophobicContact CG-CD2 4.23Å
855E90.1Very high83Confident94 Ų9466.3 Ų66.344%0.43933%0.326SS..Hα-helixtrans-71.5-38.8176.8-75.3-61.7141.800111.3V851 V852 K858 E859V851-E855 PolarHBondContact O-N 3.23Å; V852-E855 PolarHBondContact O-N 3.28Å; V852-E855 VanDerWaalsContact O-N 3.13Å; E855-K858 CarbonylContact O-C 3.18Å; E855-K858 WeakPolarHBondContact O-CB 3.33Å; E855-K858 PolarHBondContact O-N 3.1Å; E855-K858 IonicContact OE1-NZ 3.73Å; E855-K858 PolarHBondContact OE1-NZ 3.21Å; E855-K858 IonicContact OE2-NZ 2.69Å; E855-K858 PolarHBondContact OE2-NZ 2.93Å; E855-E859 WeakPolarHBondContact O-CB 3.3Å; E855-E859 PolarHBondContact O-N 3.39Å
856Q88.9Confident84.5Confident90 Ų9061.8 Ų61.842%0.42130%0.301SS..Hα-helixtrans-60.9-47.3174.1-71.9173.6-3000112.8V852 K858 E859 L860 L915V852-Q856 HydrophobicContact CG1-CG 4.38Å; V852-Q856 WeakPolarHBondContact O-CG 3.36Å; V852-Q856 PolarHBondContact O-N 3.03Å; Q856-K858 VanDerWaalsContact C-N 3.31Å; Q856-K858 PolarHBondContact O-N 2.94Å; Q856-E859 PolarHBondContact O-N 3.01Å; Q856-L860 WeakPolarHBondContact O-CB 3.32Å; Q856-L860 PolarHBondContact O-N 2.94Å; Q856-L915 HydrophobicContact CB-CD1 3.87Å; Q856-L915 HydrophobicContact CB-CD2 4.01Å
857V92.3Very high85.8Confident0 Ų059.6 Ų59.60%030%0.297CS..Hα-helixtrans-66.1-35176.1172.60000111.6L853 F861 P903 L911 I914 L915L853-V857 WeakPolarHBondContact O-CG2 3.33Å; L853-V857 PolarHBondContact O-N 3.5Å; V857-F861 HydrophobicContact CG1-CD1 4.34Å; V857-F861 HydrophobicContact CG1-CD2 4.19Å; V857-F861 HydrophobicContact CG1-CE1 4.05Å; V857-F861 HydrophobicContact CG1-CE2 3.91Å; V857-F861 HydrophobicContact CG1-CG 4.41Å; V857-F861 HydrophobicContact CG1-CZ 3.83Å; V857-F861 WeakPolarHBondContact O-CB 3.45Å; V857-F861 WeakPolarHBondContact O-CG 3.4Å; V857-F861 PolarHBondContact O-N 3.24Å; V857-P903 HydrophobicContact CB-CB 4.46Å; V857-P903 HydrophobicContact CG1-CB 4.2Å; V857-P903 HydrophobicContact CG1-CG 4.02Å; V857-L911 HydrophobicContact CB-CD2 3.8Å; V857-L911 HydrophobicContact CG1-CD2 4.1Å; V857-L911 HydrophobicContact CG2-CB 4.12Å; V857-L911 HydrophobicContact CG2-CD2 3.68Å; V857-I914 HydrophobicContact CG1-CB 4.46Å; V857-I914 HydrophobicContact CG1-CD1 4.31Å; V857-I914 HydrophobicContact CG1-CG2 3.77Å; V857-I914 HydrophobicContact CG2-CB 4.2Å; V857-I914 HydrophobicContact CG2-CG2 4.03Å; V857-L915 HydrophobicContact CG2-CD1 4.17Å; V857-L915 HydrophobicContact CG2-CD2 3.64Å; V857-L915 HydrophobicContact CG2-CG 3.58Å
858K91.6Very high87.2Confident70 Ų7055.5 Ų55.530%0.30428%0.283SS..Hα-helixtrans-67.1-39.3175.4170.8167.1156-990112.2R854 E855 Q856 N862 P903R854-K858 WeakPolarHBondContact O-CB 3.38Å; R854-K858 PolarHBondContact O-N 3.46Å; E855-K858 CarbonylContact O-C 3.18Å; E855-K858 WeakPolarHBondContact O-CB 3.33Å; E855-K858 PolarHBondContact O-N 3.1Å; E855-K858 IonicContact OE1-NZ 3.73Å; E855-K858 PolarHBondContact OE1-NZ 3.21Å; E855-K858 IonicContact OE2-NZ 2.69Å; E855-K858 PolarHBondContact OE2-NZ 2.93Å; Q856-K858 VanDerWaalsContact C-N 3.31Å; Q856-K858 PolarHBondContact O-N 2.94Å; K858-N862 WeakPolarHBondContact O-CB 3.4Å; K858-N862 PolarHBondContact O-N 3.49Å; K858-N862 PolarHBondContact O-ND2 2.71Å; K858-N862 VanDerWaalsContact O-ND2 3.16Å; K858-N862 PolarHBondContact O-OD1 2.97Å; K858-P903 HydrophobicContact CB-CB 4.26Å; K858-P903 HydrophobicContact CB-CG 4.01Å
859E90.1Very high87.8Confident127 Ų12756.8 Ų56.859%0.59328%0.279SS*.Hα-helixtrans-66.9-47.6173.1-176.7168.7-158.300111.4E855 Q856 F861 N862 K863E855-E859 WeakPolarHBondContact O-CB 3.3Å; E855-E859 PolarHBondContact O-N 3.39Å; Q856-E859 PolarHBondContact O-N 3.01Å; E859-F861 PolarHBondContact O-N 2.85Å; E859-N862 PolarHBondContact O-N 2.96Å; E859-K863 WeakPolarHBondContact O-CB 3.24Å; E859-K863 PolarHBondContact O-N 3.02Å
860L91.7Very high88Confident24 Ų2455.6 Ų55.613%0.12629%0.293CS..Hα-helixtrans-53.4-51.6174.5172.965.1000112Q856 K863 K864 I914 L915 A918Q856-L860 WeakPolarHBondContact O-CB 3.32Å; Q856-L860 PolarHBondContact O-N 2.94Å; L860-K863 PolarHBondContact O-N 3.46Å; L860-K864 HydrophobicContact CD1-CG 4.01Å; L860-K864 WeakPolarHBondContact O-CG 3.1Å; L860-K864 PolarHBondContact O-N 3.49Å; L860-I914 HydrophobicContact CD2-CG2 4.16Å; L860-L915 HydrophobicContact CD2-CD2 4.12Å; L860-A918 HydrophobicContact CD1-CB 3.82Å; L860-A918 HydrophobicContact CD2-CB 3.68Å; L860-A918 HydrophobicContact CG-CB 4.41Å
861F92.6Very high88Confident0 Ų055.8 Ų55.80%030%0.297CS..Hα-helixtrans-63.9-41.4179-73.8-0.9000111.9V857 E859 K863 Y865 V877 Y879 L894 F900 P903 Y906 I914 V921 F923V857-F861 HydrophobicContact CG1-CD1 4.34Å; V857-F861 HydrophobicContact CG1-CD2 4.19Å; V857-F861 HydrophobicContact CG1-CE1 4.05Å; V857-F861 HydrophobicContact CG1-CE2 3.91Å; V857-F861 HydrophobicContact CG1-CG 4.41Å; V857-F861 HydrophobicContact CG1-CZ 3.83Å; V857-F861 WeakPolarHBondContact O-CB 3.45Å; V857-F861 WeakPolarHBondContact O-CG 3.4Å; V857-F861 PolarHBondContact O-N 3.24Å; E859-F861 PolarHBondContact O-N 2.85Å; F861-K863 VanDerWaalsContact C-N 3.33Å; F861-K863 PolarHBondContact O-N 2.99Å; F861-Y865 WeakPolarHBondContact O-CB 3.37Å; F861-Y865 PolarHBondContact O-N 3.45Å; F861-V877 HydrophobicContact CB-CG2 4.11Å; F861-V877 VanDerWaalsContact O-CG2 3.31Å; F861-V877 WeakPolarHBondContact O-CG2 3.29Å; F861-Y879 HydrophobicContact CD2-CE1 4.19Å; F861-L894 HydrophobicContact CE1-CD2 4.03Å; F861-L894 HydrophobicContact CZ-CD2 3.85Å; F861-F900 HydrophobicContact CD2-CD2 4.48Å; F861-F900 AromaticContact CD2-CE2 3.75Å; F861-F900 HydrophobicContact CD2-CE2 3.75Å; F861-F900 AromaticContact CE2-CD2 4Å; F861-F900 HydrophobicContact CE2-CD2 4Å; F861-F900 AromaticContact CE2-CE2 3.7Å; F861-F900 HydrophobicContact CE2-CE2 3.7Å; F861-F900 HydrophobicContact CG-CE2 4.42Å; F861-F900 HydrophobicContact CZ-CD2 4.34Å; F861-F900 HydrophobicContact CZ-CE2 4.35Å; F861-P903 HydrophobicContact CD2-CG 3.99Å; F861-P903 HydrophobicContact CE2-CG 4.28Å; F861-Y906 HydrophobicContact CE2-CE2 4.2Å; F861-Y906 HydrophobicContact CZ-CE2 4.47Å; F861-I914 HydrophobicContact CE1-CG2 3.61Å; F861-I914 HydrophobicContact CZ-CD1 4.24Å; F861-I914 HydrophobicContact CZ-CG2 3.87Å; F861-V921 HydrophobicContact CD1-CG1 4.14Å; F861-V921 HydrophobicContact CE1-CG1 3.99Å; F861-F923 HydrophobicContact CB-CE2 4.42Å; F861-F923 HydrophobicContact CB-CZ 4.14Å; F861-F923 HydrophobicContact CD1-CE2 4.29Å; F861-F923 HydrophobicContact CD1-CZ 4.42Å; F861-F923 HydrophobicContact CG-CE2 4.47Å; F861-F923 HydrophobicContact CG-CZ 4.22Å
862N91.4Very high87.7Confident23 Ų2359.9 Ų59.912%0.12332%0.316CS..Hα-helixtrans-64.3-37.8175.8-68.6-19.6000111.9K858 E859 G866 S874 V875 V876 V877K858-N862 WeakPolarHBondContact O-CB 3.4Å; K858-N862 PolarHBondContact O-N 3.49Å; K858-N862 PolarHBondContact O-ND2 2.71Å; K858-N862 VanDerWaalsContact O-ND2 3.16Å; K858-N862 PolarHBondContact O-OD1 2.97Å; E859-N862 PolarHBondContact O-N 2.96Å; N862-G866 PolarHBondContact O-N 3.13Å; N862-S874 CarbonylContact O-C 3.2Å; N862-S874 WeakPolarHBondContact O-CA 3.39Å; N862-V875 CarbonylContact C-O 3.42Å; N862-V875 WeakPolarHBondContact CA-O 3.38Å; N862-V875 WeakPolarHBondContact CB-O 3.38Å; N862-V875 PolarHBondContact O-N 3.18Å; N862-V875 VanDerWaalsContact O-O 3.13Å; N862-V875 PolarHBondContact OD1-O 3.2Å; N862-V876 WeakPolarHBondContact OD1-CA 3.28Å; N862-V877 WeakPolarHBondContact OD1-CG2 3.41Å; N862-V877 PolarHBondContact OD1-N 2.72Å; N862-V877 VanDerWaalsContact OD1-N 3.11Å
863K90.5Very high87.3Confident112 Ų11264.4 Ų64.449%0.48732%0.324SS..Hα-helixtrans-66-53.1176.2-177.2174.8175.3178.10111E859 L860 F861 Y865 G866 E867E859-K863 WeakPolarHBondContact O-CB 3.24Å; E859-K863 PolarHBondContact O-N 3.02Å; L860-K863 PolarHBondContact O-N 3.46Å; F861-K863 VanDerWaalsContact C-N 3.33Å; F861-K863 PolarHBondContact O-N 2.99Å; K863-Y865 VanDerWaalsContact C-N 3.3Å; K863-Y865 PolarHBondContact O-N 3.49Å; K863-G866 WeakPolarHBondContact O-CA 3.41Å; K863-G866 PolarHBondContact O-N 2.93Å; K863-E867 WeakPolarHBondContact CE-OE1 3.48Å; K863-E867 WeakPolarHBondContact CG-OE1 3.45Å; K863-E867 WeakPolarHBondContact O-CG 3.47Å; K863-E867 PolarHBondContact O-N 3.29Å
864K89.9Confident87.1Confident40 Ų4066.6 Ų66.617%0.17434%0.341CS..Hα-helixtrans-63.2-32.1179.3-68.6-57.3-172.9-173.90113.8L860 E867 A868 V921 F923L860-K864 HydrophobicContact CD1-CG 4.01Å; L860-K864 WeakPolarHBondContact O-CG 3.1Å; L860-K864 PolarHBondContact O-N 3.49Å; K864-E867 WeakPolarHBondContact CD-OE2 3.34Å; K864-E867 IonicContact NZ-OE1 3.17Å; K864-E867 IonicContact NZ-OE2 3.48Å; K864-E867 PolarHBondContact NZ-OE2 3.44Å; K864-A868 VanDerWaalsContact O-CB 3.32Å; K864-A868 WeakPolarHBondContact O-CB 3.25Å; K864-A868 PolarHBondContact O-N 3.11Å; K864-V921 WeakPolarHBondContact CD-O 3.17Å; K864-V921 HydrophobicContact CG-CG1 4.46Å; K864-V921 WeakPolarHBondContact CG-O 3.4Å; K864-F923 HydrophobicContact CB-CD2 3.64Å; K864-F923 HydrophobicContact CB-CE2 3.93Å
865Y88.6Confident86.9Confident15 Ų1565.6 Ų65.66%0.05934%0.341CS..Hα-helixtrans-72.9-32.6171.6-174.7-108.9000113F861 K863 L869 V875 V877 P878 V889 F923 I925F861-Y865 WeakPolarHBondContact O-CB 3.37Å; F861-Y865 PolarHBondContact O-N 3.45Å; K863-Y865 VanDerWaalsContact C-N 3.3Å; K863-Y865 PolarHBondContact O-N 3.49Å; Y865-L869 HydrophobicContact CD1-CD1 3.96Å; Y865-L869 HydrophobicContact CE1-CD1 3.58Å; Y865-L869 HydrophobicContact CE1-CG 4.47Å; Y865-L869 WeakPolarHBondContact O-CG 3.41Å; Y865-L869 PolarHBondContact O-N 2.87Å; Y865-L869 VanDerWaalsContact O-N 3.15Å; Y865-V875 HydrophobicContact CD1-CB 4.1Å; Y865-V875 HydrophobicContact CD1-CG1 4.01Å; Y865-V875 HydrophobicContact CE1-CG1 4Å; Y865-V877 HydrophobicContact CD1-CB 4.4Å; Y865-V877 HydrophobicContact CD1-CG1 4.46Å; Y865-V877 HydrophobicContact CD1-CG2 4.16Å; Y865-V877 HydrophobicContact CD2-CG1 4.19Å; Y865-V877 HydrophobicContact CG-CB 4.38Å; Y865-V877 HydrophobicContact CG-CG1 4.14Å; Y865-V877 HydrophobicContact CG-CG2 3.93Å; Y865-P878 VanDerWaalsContact CE1-CD 3.44Å; Y865-P878 HydrophobicContact CE1-CG 4.33Å; Y865-P878 VanDerWaalsContact CZ-CD 3.44Å; Y865-P878 WeakPolarHBondContact OH-CD 3.37Å; Y865-P878 WeakPolarHBondContact OH-CG 3.41Å; Y865-V889 HydrophobicContact CE2-CG1 4.48Å; Y865-V889 HydrophobicContact CE2-CG2 4.39Å; Y865-F923 AromaticContact CD2-CD1 3.75Å; Y865-F923 HydrophobicContact CD2-CD1 3.75Å; Y865-F923 HydrophobicContact CD2-CE1 4.22Å; Y865-F923 HydrophobicContact CD2-CG 4.4Å; Y865-F923 HydrophobicContact CG-CD1 4.47Å; Y865-I925 HydrophobicContact CD2-CD1 4.32Å; Y865-I925 HydrophobicContact CE2-CD1 3.92Å
866G86.1Confident86.8Confident0 Ų066.6 Ų66.60%035%0.354CS..Hα-helixtrans-65.1-50.217000000112.3N862 K863 A868 L869 G870 L871 R873N862-G866 PolarHBondContact O-N 3.13Å; K863-G866 WeakPolarHBondContact O-CA 3.41Å; K863-G866 PolarHBondContact O-N 2.93Å; G866-A868 VanDerWaalsContact C-N 3.29Å; G866-A868 PolarHBondContact O-N 2.95Å; G866-L869 WeakPolarHBondContact O-CA 3.42Å; G866-L869 WeakPolarHBondContact O-CB 3.46Å; G866-L869 PolarHBondContact O-N 2.88Å; G866-G870 PolarHBondContact O-N 3.18Å; G866-L871 CarbonylContact C-O 3.48Å; G866-L871 PolarHBondContact O-N 2.82Å; G866-L871 VanDerWaalsContact O-O 3.09Å; G866-R873 WeakPolarHBondContact CA-O 3.29Å
867E86.8Confident86.8Confident84 Ų8462.5 Ų62.539%0.39334%0.335SS..Hα-helixtrans-52.6-46.4173.6-71.2172.7-157.500111K863 K864 L869 G870K863-E867 WeakPolarHBondContact CE-OE1 3.48Å; K863-E867 WeakPolarHBondContact CG-OE1 3.45Å; K863-E867 WeakPolarHBondContact O-CG 3.47Å; K863-E867 PolarHBondContact O-N 3.29Å; K864-E867 WeakPolarHBondContact CD-OE2 3.34Å; K864-E867 IonicContact NZ-OE1 3.17Å; K864-E867 IonicContact NZ-OE2 3.48Å; K864-E867 PolarHBondContact NZ-OE2 3.44Å; E867-L869 VanDerWaalsContact C-N 3.28Å; E867-L869 PolarHBondContact O-N 2.98Å; E867-G870 PolarHBondContact O-N 3.33Å
868A85.1Confident86.4Confident38 Ų3864.2 Ų64.231%0.31435%0.346SS..Hα-helixtrans-68.3-19.9177.900000115K864 G866 G870 F923 I925K864-A868 VanDerWaalsContact O-CB 3.32Å; K864-A868 WeakPolarHBondContact O-CB 3.25Å; K864-A868 PolarHBondContact O-N 3.11Å; G866-A868 VanDerWaalsContact C-N 3.29Å; G866-A868 PolarHBondContact O-N 2.95Å; A868-G870 VanDerWaalsContact C-N 3.29Å; A868-F923 HydrophobicContact CB-CB 3.62Å; A868-F923 WeakPolarHBondContact CB-O 3.12Å; A868-I925 HydrophobicContact CB-CD1 4.08Å; A868-I925 HydrophobicContact CB-CG1 4.24Å
869L82.8Confident86.1Confident68 Ų6862.8 Ų62.836%0.35634%0.339SS..THydrogen-bonded Turntrans-85.81.9170.3-75.6168.6000112.8Y865 G866 E867 L871 V875 I925Y865-L869 HydrophobicContact CD1-CD1 3.96Å; Y865-L869 HydrophobicContact CE1-CD1 3.58Å; Y865-L869 HydrophobicContact CE1-CG 4.47Å; Y865-L869 WeakPolarHBondContact O-CG 3.41Å; Y865-L869 PolarHBondContact O-N 2.87Å; Y865-L869 VanDerWaalsContact O-N 3.15Å; G866-L869 WeakPolarHBondContact O-CA 3.42Å; G866-L869 WeakPolarHBondContact O-CB 3.46Å; G866-L869 PolarHBondContact O-N 2.88Å; E867-L869 VanDerWaalsContact C-N 3.28Å; E867-L869 PolarHBondContact O-N 2.98Å; L869-L871 VanDerWaalsContact C-N 3.27Å; L869-L871 HydrophobicContact CB-CD1 4.06Å; L869-L871 HydrophobicContact CB-CG 4.2Å; L869-L871 HydrophobicContact CD1-CD1 4.46Å; L869-L871 PolarHBondContact O-N 3.47Å; L869-V875 HydrophobicContact CD1-CB 4.2Å; L869-V875 HydrophobicContact CD1-CG1 3.92Å; L869-V875 HydrophobicContact CD1-CG2 4.28Å; L869-I925 HydrophobicContact CD2-CD1 3.5Å; L869-I925 VanDerWaalsContact CD2-CD1 3.5Å; L869-I925 HydrophobicContact CG-CD1 3.63Å
870G80.7Confident85.6Confident73 Ų7365.9 Ų65.975%0.75335%0.35SS*.THydrogen-bonded Turntrans70.322.7-172.800000113.3G866 E867 A868G866-G870 PolarHBondContact O-N 3.18Å; E867-G870 PolarHBondContact O-N 3.33Å; A868-G870 VanDerWaalsContact C-N 3.29Å
871L80.8Confident84.9Confident66 Ų6669 Ų6935%0.34637%0.366SS..  trans-111119.9-177.9-67173.5000110.2G866 L869 R873 V875G866-L871 CarbonylContact C-O 3.48Å; G866-L871 PolarHBondContact O-N 2.82Å; G866-L871 VanDerWaalsContact O-O 3.09Å; L869-L871 VanDerWaalsContact C-N 3.27Å; L869-L871 HydrophobicContact CB-CD1 4.06Å; L869-L871 HydrophobicContact CB-CG 4.2Å; L869-L871 HydrophobicContact CD1-CD1 4.46Å; L869-L871 PolarHBondContact O-N 3.47Å; L871-R873 HydrophobicContact CB-CG 4.2Å; L871-R873 PolarHBondContact O-N 3.46Å; L871-V875 HydrophobicContact CD1-CG2 3.85Å
872D76.6Confident84.3Confident174 Ų17469.4 Ų69.493%0.9337%0.369SS*.SBendtrans-76.248.9176.1-165.826.2000112.3
873R77.6Confident83.5Confident177 Ų17777.3 Ų77.367%0.66840%0.397SS*.SBendtrans-161.5144178.258.8178.6-176.5173.6-0.1110.4G866 L871 V875G866-R873 WeakPolarHBondContact CA-O 3.29Å; L871-R873 HydrophobicContact CB-CG 4.2Å; L871-R873 PolarHBondContact O-N 3.46Å; R873-V875 PolarHBondContact O-N 3.35Å
874S83.9Confident82.6Confident65 Ų6575.2 Ų75.246%0.45541%0.407SS..  trans-62.2127.7176.8-53.30000112N862N862-S874 CarbonylContact O-C 3.2Å; N862-S874 WeakPolarHBondContact O-CA 3.39Å
875V86.5Confident81.7Confident37 Ų3775.3 Ų75.322%0.22441%0.413CS..  trans-115.4134179.2178.30000109.6N862 Y865 L869 L871 R873 V877N862-V875 CarbonylContact C-O 3.42Å; N862-V875 WeakPolarHBondContact CA-O 3.38Å; N862-V875 WeakPolarHBondContact CB-O 3.38Å; N862-V875 PolarHBondContact O-N 3.18Å; N862-V875 VanDerWaalsContact O-O 3.13Å; N862-V875 PolarHBondContact OD1-O 3.2Å; Y865-V875 HydrophobicContact CD1-CB 4.1Å; Y865-V875 HydrophobicContact CD1-CG1 4.01Å; Y865-V875 HydrophobicContact CE1-CG1 4Å; L869-V875 HydrophobicContact CD1-CB 4.2Å; L869-V875 HydrophobicContact CD1-CG1 3.92Å; L869-V875 HydrophobicContact CD1-CG2 4.28Å; L871-V875 HydrophobicContact CD1-CG2 3.85Å; R873-V875 PolarHBondContact O-N 3.35Å; V875-V877 PolarHBondContact O-N 2.72Å; V875-V877 VanDerWaalsContact O-N 3.16Å
876V89.2Confident80.8Confident116 Ų11678.8 Ų78.870%0.70344%0.437SS*.  trans-63.8117.2-177.8-179.60000110.9N862N862-V876 WeakPolarHBondContact OD1-CA 3.28Å
877V87.8Confident80.1Confident3 Ų385.8 Ų85.82%0.01847%0.47CS..  trans-67.5125.9-176.4-166.50000111.5F861 N862 Y865 V875 Y879 I882 F900 F923F861-V877 HydrophobicContact CB-CG2 4.11Å; F861-V877 VanDerWaalsContact O-CG2 3.31Å; F861-V877 WeakPolarHBondContact O-CG2 3.29Å; N862-V877 WeakPolarHBondContact OD1-CG2 3.41Å; N862-V877 PolarHBondContact OD1-N 2.72Å; N862-V877 VanDerWaalsContact OD1-N 3.11Å; Y865-V877 HydrophobicContact CD1-CB 4.4Å; Y865-V877 HydrophobicContact CD1-CG1 4.46Å; Y865-V877 HydrophobicContact CD1-CG2 4.16Å; Y865-V877 HydrophobicContact CD2-CG1 4.19Å; Y865-V877 HydrophobicContact CG-CB 4.38Å; Y865-V877 HydrophobicContact CG-CG1 4.14Å; Y865-V877 HydrophobicContact CG-CG2 3.93Å; V875-V877 PolarHBondContact O-N 2.72Å; V875-V877 VanDerWaalsContact O-N 3.16Å; V877-Y879 VanDerWaalsContact C-N 3.28Å; V877-Y879 HydrophobicContact CB-CD2 4.34Å; V877-Y879 HydrophobicContact CB-CE1 4.34Å; V877-Y879 HydrophobicContact CB-CE2 3.85Å; V877-Y879 HydrophobicContact CG1-CE1 4.42Å; V877-Y879 WeakPolarHBondContact O-CD2 3.41Å; V877-Y879 VanDerWaalsContact O-CE2 3.3Å; V877-Y879 WeakPolarHBondContact O-CE2 3.47Å; V877-Y879 PolarHBondContact O-N 2.64Å; V877-I882 HydrophobicContact CG1-CD1 3.5Å; V877-F900 HydrophobicContact CG1-CZ 4.04Å; V877-F923 HydrophobicContact CG1-CE1 4.01Å
878P84.1Confident79.5Confident36 Ų3682.1 Ų82.123%0.23445%0.454CS..  trans-83.964.9-176.634.7-36.7000111.9Y865 K880 L881 I882 L929Y865-P878 VanDerWaalsContact CE1-CD 3.44Å; Y865-P878 HydrophobicContact CE1-CG 4.33Å; Y865-P878 VanDerWaalsContact CZ-CD 3.44Å; Y865-P878 WeakPolarHBondContact OH-CD 3.37Å; Y865-P878 WeakPolarHBondContact OH-CG 3.41Å; P878-K880 PolarHBondContact O-N 3.48Å; P878-L881 HydrophobicContact CB-CB 4.25Å; P878-L881 HydrophobicContact CB-CD1 4.04Å; P878-L881 HydrophobicContact CB-CG 4.23Å; P878-L881 PolarHBondContact O-N 3.15Å; P878-I882 HydrophobicContact CG-CD1 4.4Å; P878-I882 HydrophobicContact CG-CG1 4.42Å; P878-I882 PolarHBondContact O-N 3Å; P878-L929 HydrophobicContact CG-CD1 3.95Å
879Y85.1Confident79.4Confident40 Ų4080.6 Ų80.616%0.15744%0.44CS..Hα-helixtrans-47.3-29.3-175.3-59.1-87.1000115.5F861 V877 R883 F900 N902 P903F861-Y879 HydrophobicContact CD2-CE1 4.19Å; V877-Y879 VanDerWaalsContact C-N 3.28Å; V877-Y879 HydrophobicContact CB-CD2 4.34Å; V877-Y879 HydrophobicContact CB-CE1 4.34Å; V877-Y879 HydrophobicContact CB-CE2 3.85Å; V877-Y879 HydrophobicContact CG1-CE1 4.42Å; V877-Y879 WeakPolarHBondContact O-CD2 3.41Å; V877-Y879 VanDerWaalsContact O-CE2 3.3Å; V877-Y879 WeakPolarHBondContact O-CE2 3.47Å; V877-Y879 PolarHBondContact O-N 2.64Å; Y879-R883 WeakPolarHBondContact O-CB 3.44Å; Y879-R883 PolarHBondContact O-N 3.41Å; Y879-F900 HydrophobicContact CD1-CE1 4.09Å; Y879-F900 HydrophobicContact CD1-CE2 4.4Å; Y879-F900 AromaticContact CD1-CZ 3.66Å; Y879-F900 HydrophobicContact CD1-CZ 3.66Å; Y879-F900 HydrophobicContact CE1-CE1 4.42Å; Y879-F900 AromaticContact CE1-CE2 3.94Å; Y879-F900 HydrophobicContact CE1-CE2 3.94Å; Y879-F900 AromaticContact CE1-CZ 3.55Å; Y879-F900 HydrophobicContact CE1-CZ 3.55Å; Y879-N902 HydrophobicContact CD1-CB 4.29Å; Y879-N902 WeakPolarHBondContact CD2-ND2 3.09Å; Y879-N902 HydrophobicContact CG-CB 4.32Å; Y879-P903 WeakPolarHBondContact OH-CD 3.29Å
880K79.3Confident79.3Confident192 Ų19281.6 Ų81.684%0.83544%0.443SS*.Hα-helixtrans-73.4-37.8176.4-73.2-171.5175.9-175.80113.3P878 G884P878-K880 PolarHBondContact O-N 3.48Å; K880-G884 PolarHBondContact O-N 3.08Å
881L77Confident79.5Confident89 Ų8979.6 Ų79.647%0.46642%0.416SS..Hα-helixtrans-74.9-43.4179.5-60.5-178.2000110.7P878 R883 G884 S885 L929P878-L881 HydrophobicContact CB-CB 4.25Å; P878-L881 HydrophobicContact CB-CD1 4.04Å; P878-L881 HydrophobicContact CB-CG 4.23Å; P878-L881 PolarHBondContact O-N 3.15Å; L881-R883 VanDerWaalsContact C-N 3.33Å; L881-R883 PolarHBondContact O-N 3.39Å; L881-G884 CarbonylContact O-C 3.53Å; L881-G884 WeakPolarHBondContact O-CA 3.39Å; L881-G884 PolarHBondContact O-N 3.49Å; L881-S885 PolarHBondContact O-N 3.39Å; L881-S885 PolarHBondContact O-OG 3.11Å; L881-L929 HydrophobicContact CB-CD1 4.16Å; L881-L929 HydrophobicContact CB-CD2 4.09Å
882I81.6Confident79.6Confident10 Ų1077.7 Ų77.75%0.05141%0.412CS..Hα-helixtrans-58.5-44.6174.9-60.3169.7000110.4V877 P878 G884 S885 V889 F900 L929V877-I882 HydrophobicContact CG1-CD1 3.5Å; P878-I882 HydrophobicContact CG-CD1 4.4Å; P878-I882 HydrophobicContact CG-CG1 4.42Å; P878-I882 PolarHBondContact O-N 3Å; I882-G884 VanDerWaalsContact C-N 3.29Å; I882-G884 PolarHBondContact O-N 3.24Å; I882-S885 CarbonylContact O-C 3.59Å; I882-S885 PolarHBondContact O-N 3.46Å; I882-V889 HydrophobicContact CD1-CB 4.27Å; I882-V889 HydrophobicContact CD1-CG1 4.21Å; I882-V889 HydrophobicContact CD1-CG2 4.38Å; I882-V889 HydrophobicContact CG1-CB 4.1Å; I882-V889 HydrophobicContact CG1-CG2 4.06Å; I882-V889 HydrophobicContact CG2-CB 4.21Å; I882-F900 HydrophobicContact CD1-CE1 4.04Å; I882-F900 HydrophobicContact CD1-CZ 4.45Å; I882-F900 HydrophobicContact CG2-CD1 4.31Å; I882-F900 HydrophobicContact CG2-CE1 4.04Å; I882-L929 HydrophobicContact CG1-CD1 3.71Å
883R74.2Confident79.8Confident188 Ų18871.1 Ų71.171%0.70939%0.386SS*.Hα-helixtrans-61.8-34.3173.8-179.8-178.6-73.1-166-2.8113.1Y879 L881 S885Y879-R883 WeakPolarHBondContact O-CB 3.44Å; Y879-R883 PolarHBondContact O-N 3.41Å; L881-R883 VanDerWaalsContact C-N 3.33Å; L881-R883 PolarHBondContact O-N 3.39Å; R883-S885 VanDerWaalsContact C-N 3.3Å
884G71Confident80.2Confident68 Ų6864.1 Ų64.170%0.70136%0.362SS*.Hα-helixtrans-77.8-12.6178.200000114.3K880 L881 I882K880-G884 PolarHBondContact O-N 3.08Å; L881-G884 CarbonylContact O-C 3.53Å; L881-G884 WeakPolarHBondContact O-CA 3.39Å; L881-G884 PolarHBondContact O-N 3.49Å; I882-G884 VanDerWaalsContact C-N 3.29Å; I882-G884 PolarHBondContact O-N 3.24Å
885S71.5Confident80.3Confident42 Ų4262.3 Ų62.329%0.29435%0.348SS..  trans-151.774.2-177.250.30000110.1L881 I882 R883 E887 S888 L929L881-S885 PolarHBondContact O-N 3.39Å; L881-S885 PolarHBondContact O-OG 3.11Å; I882-S885 CarbonylContact O-C 3.59Å; I882-S885 PolarHBondContact O-N 3.46Å; R883-S885 VanDerWaalsContact C-N 3.3Å; S885-E887 PolarHBondContact O-N 3.44Å; S885-E887 VanDerWaalsContact O-N 3.16Å; S885-S888 WeakPolarHBondContact O-CB 3.28Å; S885-S888 PolarHBondContact O-N 3.42Å; S885-S888 PolarHBondContact O-OG 3.27Å; S885-S888 PolarHBondContact OG-OG 3.22Å; S885-L929 WeakPolarHBondContact OG-CD2 3.47Å
886P69.8Low79.3Confident88 Ų8867.5 Ų67.557%0.57138%0.375SS*.G310 helixtrans-58.9-30.7-173.322.9-33.8000113.3S888P886-S888 PolarHBondContact O-N 3.07Å
887E71.3Confident78.3Confident147 Ų14769.8 Ų69.869%0.68738%0.383SS*.G310 helixtrans-66.6-12.2176.4-53.4-50.1137.100114.6S885 K926S885-E887 PolarHBondContact O-N 3.44Å; S885-E887 VanDerWaalsContact O-N 3.16Å; E887-K926 WeakPolarHBondContact O-CB 3.49Å
888S74.4Confident78Confident8 Ų870.3 Ų70.36%0.05639%0.386CS..G310 helixtrans-78.8-37-176.564.20000113.8S885 P886 I925 K926 S927 L929S885-S888 WeakPolarHBondContact O-CB 3.28Å; S885-S888 PolarHBondContact O-N 3.42Å; S885-S888 PolarHBondContact O-OG 3.27Å; S885-S888 PolarHBondContact OG-OG 3.22Å; P886-S888 PolarHBondContact O-N 3.07Å; S888-I925 CarbonylContact O-C 3.54Å; S888-K926 PolarHBondContact O-N 2.94Å; S888-S927 PolarHBondContact O-N 3.08Å; S888-S927 VanDerWaalsContact O-N 3.14Å; S888-L929 WeakPolarHBondContact OG-CD2 3.45Å
889V81.3Confident77.9Confident6 Ų671.9 Ų71.94%0.03640%0.396CS..EExtended strand (participates in β ladder)trans-142.2107.5-172.9-178.20000109.2Y865 I882 V891 F923 N924 I925 L929Y865-V889 HydrophobicContact CE2-CG1 4.48Å; Y865-V889 HydrophobicContact CE2-CG2 4.39Å; I882-V889 HydrophobicContact CD1-CB 4.27Å; I882-V889 HydrophobicContact CD1-CG1 4.21Å; I882-V889 HydrophobicContact CD1-CG2 4.38Å; I882-V889 HydrophobicContact CG1-CB 4.1Å; I882-V889 HydrophobicContact CG1-CG2 4.06Å; I882-V889 HydrophobicContact CG2-CB 4.21Å; V889-V891 HydrophobicContact CG1-CG2 4.32Å; V889-F923 HydrophobicContact CG1-CD1 3.81Å; V889-N924 WeakPolarHBondContact CA-O 3.12Å; V889-I925 HydrophobicContact CG2-CG1 4.34Å; V889-I925 HydrophobicContact CG2-CG2 4.43Å; V889-L929 HydrophobicContact CG2-CD1 3.8Å; V889-L929 HydrophobicContact CG2-CG 4.32Å
890E81.8Confident78Confident89 Ų8972.3 Ų72.342%0.41640%0.399SS..EExtended strand (participates in β ladder)trans-86.4135.8172.2176171.8-10300109.4N924 K926E890-N924 HydrophobicContact CB-CB 4.29Å; E890-N924 PolarHBondContact N-O 3.11Å; E890-N924 PolarHBondContact O-N 3.49Å; E890-N924 PolarHBondContact OE2-ND2 3.08Å; E890-K926 HydrophobicContact CB-CD 4.46Å; E890-K926 WeakPolarHBondContact OE1-CE 3.3Å; E890-K926 IonicContact OE1-NZ 3.98Å; E890-K926 PolarHBondContact OE1-NZ 3.23Å; E890-K926 WeakPolarHBondContact OE2-CE 3.47Å; E890-K926 IonicContact OE2-NZ 2.67Å; E890-K926 PolarHBondContact OE2-NZ 2.86Å
891V85.3Confident78.3Confident30 Ų3069.1 Ų69.118%0.18238%0.382CS..EExtended strand (participates in β ladder)trans-119107.1-179.9-173.10000108.7V889 L894 F900 T922 F923V889-V891 HydrophobicContact CG1-CG2 4.32Å; V891-L894 HydrophobicContact CB-CD1 4.45Å; V891-L894 HydrophobicContact CG1-CD1 3.88Å; V891-L894 HydrophobicContact CG1-CG 4.18Å; V891-F900 HydrophobicContact CB-CB 4.28Å; V891-F900 HydrophobicContact CB-CD2 4.28Å; V891-F900 HydrophobicContact CB-CG 4.15Å; V891-F900 HydrophobicContact CG1-CD2 3.97Å; V891-F900 HydrophobicContact CG1-CG 4.33Å; V891-F900 HydrophobicContact CG2-CB 4.4Å; V891-F900 HydrophobicContact CG2-CD1 3.92Å; V891-F900 HydrophobicContact CG2-CD2 4.02Å; V891-F900 HydrophobicContact CG2-CE1 4.21Å; V891-F900 HydrophobicContact CG2-CE2 4.31Å; V891-F900 HydrophobicContact CG2-CG 3.82Å; V891-F900 HydrophobicContact CG2-CZ 4.41Å; V891-T922 CarbonylContact C-O 3.41Å; V891-T922 WeakPolarHBondContact CA-O 3.48Å; V891-F923 HydrophobicContact CG1-CD2 4.35Å; V891-F923 HydrophobicContact CG1-CE1 4.33Å; V891-F923 HydrophobicContact CG1-CE2 4.11Å; V891-F923 HydrophobicContact CG1-CZ 4.11Å; V891-F923 HydrophobicContact CG2-CD1 3.69Å; V891-F923 HydrophobicContact CG2-CE1 3.62Å; V891-F923 HydrophobicContact CG2-CG 4.34Å; V891-F923 HydrophobicContact CG2-CZ 4.2Å
892G81.7Confident78.7Confident26 Ų2667.3 Ų67.327%0.26837%0.373SS..EExtended strand (participates in β ladder)trans-96.8161.8-177.500000113L894 V921 T922G892-L894 PolarHBondContact O-N 3.17Å; G892-V921 WeakPolarHBondContact O-CA 3.47Å; G892-T922 PolarHBondContact N-O 3.31Å; G892-T922 PolarHBondContact O-N 3.45Å; G892-T922 PolarHBondContact O-OG1 3.44Å
893G81.8Confident79.1Confident36 Ų3666.9 Ų66.937%0.37137%0.371SS..SBendtrans68.115.3172.200000116.1K920G893-K920 WeakPolarHBondContact CA-O 3.3Å
894L86.7Confident79.6Confident31 Ų3162 Ų6216%0.16236%0.359CS..PPolyproline II helixtrans-65.3154.2161.5-72.3169000110.2F861 V891 G892 F900 I914 V921F861-L894 HydrophobicContact CE1-CD2 4.03Å; F861-L894 HydrophobicContact CZ-CD2 3.85Å; V891-L894 HydrophobicContact CB-CD1 4.45Å; V891-L894 HydrophobicContact CG1-CD1 3.88Å; V891-L894 HydrophobicContact CG1-CG 4.18Å; G892-L894 PolarHBondContact O-N 3.17Å; L894-F900 HydrophobicContact CD1-CB 3.75Å; L894-F900 HydrophobicContact CD1-CD2 4.3Å; L894-I914 HydrophobicContact CD2-CG1 4.13Å; L894-I914 HydrophobicContact CD2-CG2 4.41Å; L894-V921 HydrophobicContact CD2-CG2 4.14Å
895P84.6Confident80.3Confident27 Ų2763.1 Ų63.118%0.17535%0.352CS..PPolyproline II helixtrans-60.9148.2173.7-18.630.4000112V898 K913 I914 A917P895-V898 HydrophobicContact CB-CB 4.4Å; P895-V898 HydrophobicContact CB-CG2 3.98Å; P895-V898 HydrophobicContact CG-CG2 4.39Å; P895-V898 WeakPolarHBondContact O-CB 3.5Å; P895-V898 PolarHBondContact O-N 3.32Å; P895-V898 VanDerWaalsContact O-N 3.08Å; P895-K913 HydrophobicContact CB-CB 4.19Å; P895-K913 HydrophobicContact CG-CB 3.78Å; P895-K913 WeakPolarHBondContact CG-O 3.48Å; P895-I914 HydrophobicContact CG-CG1 4.34Å; P895-A917 HydrophobicContact CG-CB 4.12Å
896D66.7Low81Confident145 Ų14561.8 Ų61.878%0.77534%0.341SS*.THydrogen-bonded Turntrans-54145.9172.3-53.8-64.5000111V898D896-V898 PolarHBondContact O-N 2.94Å
897D67.4Low81.9Confident165 Ų16561.2 Ų61.288%0.88233%0.333SS*.THydrogen-bonded Turntrans63.30.7-170.1-54.9-41000117.1P899D897-P899 WeakPolarHBondContact O-CD 3.18Å
898V81.8Confident82.6Confident13 Ų1355 Ų558%0.07930%0.304CS..  trans-104.993.1-177.6-172.50000112.5P895 D896 Y906 C910 I914P895-V898 HydrophobicContact CB-CB 4.4Å; P895-V898 HydrophobicContact CB-CG2 3.98Å; P895-V898 HydrophobicContact CG-CG2 4.39Å; P895-V898 WeakPolarHBondContact O-CB 3.5Å; P895-V898 PolarHBondContact O-N 3.32Å; P895-V898 VanDerWaalsContact O-N 3.08Å; D896-V898 PolarHBondContact O-N 2.94Å; V898-Y906 HydrophobicContact CG1-CD1 4.3Å; V898-Y906 HydrophobicContact CG1-CE1 3.68Å; V898-C910 HydrophobicContact CG1-CB 4.32Å; V898-I914 HydrophobicContact CG1-CD1 3.9Å; V898-I914 HydrophobicContact CG1-CG1 4.13Å
899P82.3Confident83.2Confident69 Ų6957.7 Ų57.745%0.44832%0.32SS..  trans-69.7145-179.928.7-36.6000112.3D897 R901 Y906D897-P899 WeakPolarHBondContact O-CD 3.18Å; P899-R901 PolarHBondContact O-N 3.27Å; P899-Y906 WeakPolarHBondContact O-CE1 3.36Å; P899-Y906 PolarHBondContact O-OH 3.4Å
900F87.3Confident83.5Confident49 Ų4959 Ų5922%0.21533%0.329CS..  trans-61.9116.2177.3179.9-112.1000112.5F861 V877 Y879 I882 V891 L894 F923F861-F900 HydrophobicContact CD2-CD2 4.48Å; F861-F900 AromaticContact CD2-CE2 3.75Å; F861-F900 HydrophobicContact CD2-CE2 3.75Å; F861-F900 AromaticContact CE2-CD2 4Å; F861-F900 HydrophobicContact CE2-CD2 4Å; F861-F900 AromaticContact CE2-CE2 3.7Å; F861-F900 HydrophobicContact CE2-CE2 3.7Å; F861-F900 HydrophobicContact CG-CE2 4.42Å; F861-F900 HydrophobicContact CZ-CD2 4.34Å; F861-F900 HydrophobicContact CZ-CE2 4.35Å; V877-F900 HydrophobicContact CG1-CZ 4.04Å; Y879-F900 HydrophobicContact CD1-CE1 4.09Å; Y879-F900 HydrophobicContact CD1-CE2 4.4Å; Y879-F900 AromaticContact CD1-CZ 3.66Å; Y879-F900 HydrophobicContact CD1-CZ 3.66Å; Y879-F900 HydrophobicContact CE1-CE1 4.42Å; Y879-F900 AromaticContact CE1-CE2 3.94Å; Y879-F900 HydrophobicContact CE1-CE2 3.94Å; Y879-F900 AromaticContact CE1-CZ 3.55Å; Y879-F900 HydrophobicContact CE1-CZ 3.55Å; I882-F900 HydrophobicContact CD1-CE1 4.04Å; I882-F900 HydrophobicContact CD1-CZ 4.45Å; I882-F900 HydrophobicContact CG2-CD1 4.31Å; I882-F900 HydrophobicContact CG2-CE1 4.04Å; V891-F900 HydrophobicContact CB-CB 4.28Å; V891-F900 HydrophobicContact CB-CD2 4.28Å; V891-F900 HydrophobicContact CB-CG 4.15Å; V891-F900 HydrophobicContact CG1-CD2 3.97Å; V891-F900 HydrophobicContact CG1-CG 4.33Å; V891-F900 HydrophobicContact CG2-CB 4.4Å; V891-F900 HydrophobicContact CG2-CD1 3.92Å; V891-F900 HydrophobicContact CG2-CD2 4.02Å; V891-F900 HydrophobicContact CG2-CE1 4.21Å; V891-F900 HydrophobicContact CG2-CE2 4.31Å; V891-F900 HydrophobicContact CG2-CG 3.82Å; V891-F900 HydrophobicContact CG2-CZ 4.41Å; L894-F900 HydrophobicContact CD1-CB 3.75Å; L894-F900 HydrophobicContact CD1-CD2 4.3Å; F900-F923 AromaticContact CE2-CE1 3.95Å; F900-F923 HydrophobicContact CE2-CE1 3.95Å; F900-F923 AromaticContact CE2-CZ 3.69Å; F900-F923 HydrophobicContact CE2-CZ 3.69Å; F900-F923 AromaticContact CZ-CE1 3.82Å; F900-F923 HydrophobicContact CZ-CE1 3.82Å; F900-F923 HydrophobicContact CZ-CZ 4.01Å
901R83.9Confident83.9Confident125 Ų12554.8 Ų54.847%0.47231%0.309SS..  trans-147.4173.7-176.4-63.6-174.6-178-137.1-4.5110.4P899 T905 Y906P899-R901 PolarHBondContact O-N 3.27Å; R901-T905 WeakPolarHBondContact CB-OG1 3.46Å; R901-Y906 HydrophobicContact CB-CE1 4.22Å; R901-Y906 PolarHBondContact N-OH 3.48Å
902N87.1Confident84Confident52 Ų5256.2 Ų56.228%0.27831%0.314SS..  trans-66.9134.4175.7-174.9-82.6000110.1Y879 N904 T905Y879-N902 HydrophobicContact CD1-CB 4.29Å; Y879-N902 WeakPolarHBondContact CD2-ND2 3.09Å; Y879-N902 HydrophobicContact CG-CB 4.32Å; N902-N904 PolarHBondContact O-N 2.94Å; N902-N904 WeakPolarHBondContact OD1-CB 3.45Å; N902-N904 PolarHBondContact OD1-N 3.26Å; N902-N904 VanDerWaalsContact OD1-N 3.11Å; N902-N904 PolarHBondContact OD1-ND2 2.94Å; N902-T905 HydrophobicContact CB-CG2 4.48Å; N902-T905 WeakPolarHBondContact O-CB 3.43Å; N902-T905 PolarHBondContact O-N 2.92Å; N902-T905 PolarHBondContact O-OG1 3.21Å
903P88.6Confident84.4Confident1 Ų159.7 Ų59.71%0.00632%0.322CS..G310 helixtrans-54.1-28.8-176.8-31.537.4000115.4V857 K858 F861 Y879 T905 Y906 L911V857-P903 HydrophobicContact CB-CB 4.46Å; V857-P903 HydrophobicContact CG1-CB 4.2Å; V857-P903 HydrophobicContact CG1-CG 4.02Å; K858-P903 HydrophobicContact CB-CB 4.26Å; K858-P903 HydrophobicContact CB-CG 4.01Å; F861-P903 HydrophobicContact CD2-CG 3.99Å; F861-P903 HydrophobicContact CE2-CG 4.28Å; Y879-P903 WeakPolarHBondContact OH-CD 3.29Å; P903-T905 PolarHBondContact O-N 3.04Å; P903-T905 VanDerWaalsContact O-N 3.16Å; P903-Y906 PolarHBondContact O-N 3.4Å; P903-L911 HydrophobicContact CB-CD2 4.46Å
904N85.5Confident84.7Confident85 Ų8558 Ų5846%0.45530%0.304SS..G310 helixtrans-66.9-12.4175.1-64.5-64.2000114.5R854 N902R854-N904 VanDerWaalsContact CZ-O 3.24Å; R854-N904 PolarHBondContact NH1-O 3.14Å; R854-N904 PolarHBondContact NH2-O 3.08Å; N902-N904 PolarHBondContact O-N 2.94Å; N902-N904 WeakPolarHBondContact OD1-CB 3.45Å; N902-N904 PolarHBondContact OD1-N 3.26Å; N902-N904 VanDerWaalsContact OD1-N 3.11Å; N902-N904 PolarHBondContact OD1-ND2 2.94Å
905T86.4Confident84.8Confident92 Ų9258.7 Ų58.756%0.56431%0.308SS*.G310 helixtrans-96.7-9.4179.763.70000114.2R901 N902 P903R901-T905 WeakPolarHBondContact CB-OG1 3.46Å; N902-T905 HydrophobicContact CB-CG2 4.48Å; N902-T905 WeakPolarHBondContact O-CB 3.43Å; N902-T905 PolarHBondContact O-N 2.92Å; N902-T905 PolarHBondContact O-OG1 3.21Å; P903-T905 PolarHBondContact O-N 3.04Å; P903-T905 VanDerWaalsContact O-N 3.16Å
906Y85.8Confident85Confident14 Ų1465 Ų656%0.05534%0.335CS..SBendtrans-80.4153.5173.4-63.3-54.8000112.2R854 F861 V898 P899 R901 P903 C910 L911 I914R854-Y906 PolarHBondContact NH2-O 3.46Å; F861-Y906 HydrophobicContact CE2-CE2 4.2Å; F861-Y906 HydrophobicContact CZ-CE2 4.47Å; V898-Y906 HydrophobicContact CG1-CD1 4.3Å; V898-Y906 HydrophobicContact CG1-CE1 3.68Å; P899-Y906 WeakPolarHBondContact O-CE1 3.36Å; P899-Y906 PolarHBondContact O-OH 3.4Å; R901-Y906 HydrophobicContact CB-CE1 4.22Å; R901-Y906 PolarHBondContact N-OH 3.48Å; P903-Y906 PolarHBondContact O-N 3.4Å; Y906-C910 HydrophobicContact CD1-CB 3.96Å; Y906-C910 HydrophobicContact CG-CB 4.17Å; Y906-L911 HydrophobicContact CD2-CD2 3.92Å; Y906-L911 HydrophobicContact CG-CD2 4.38Å; Y906-I914 HydrophobicContact CD2-CD1 3.73Å; Y906-I914 HydrophobicContact CE1-CD1 4.28Å; Y906-I914 HydrophobicContact CE2-CD1 3.46Å; Y906-I914 VanDerWaalsContact CE2-CD1 3.46Å; Y906-I914 HydrophobicContact CG-CD1 4.28Å
907D87.4Confident86Confident76 Ų7658.6 Ų58.641%0.40630%0.302SS..  trans-79.4-173.716475.6-18.9000110.8C910 L911D907-C910 WeakPolarHBondContact OD1-CB 3.46Å; D907-C910 PolarHBondContact OD1-N 3.37Å; D907-C910 PolarHBondContact OD1-SG 3.23Å; D907-L911 WeakPolarHBondContact O-CD1 3.43Å; D907-L911 WeakPolarHBondContact O-CG 3.24Å
908I86.8Confident86.9Confident15 Ų1551.7 Ų51.78%0.07727%0.268CS..Hα-helixtrans-72.6-42.6-175.8-154.8176.5000111.4E849 K850 L853 C910 L911 E912E849-I908 HydrophobicContact CB-CD1 4.41Å; E849-I908 HydrophobicContact CG-CD1 4.13Å; K850-I908 HydrophobicContact CB-CB 4.5Å; K850-I908 HydrophobicContact CB-CD1 4.02Å; K850-I908 HydrophobicContact CB-CG1 4.01Å; K850-I908 HydrophobicContact CD-CB 4.3Å; K850-I908 HydrophobicContact CG-CB 4.31Å; K850-I908 HydrophobicContact CG-CG1 4.27Å; L853-I908 HydrophobicContact CD1-CD1 4.17Å; L853-I908 HydrophobicContact CD1-CG1 3.51Å; I908-C910 PolarHBondContact O-N 2.97Å; I908-L911 WeakPolarHBondContact O-CB 3.47Å; I908-L911 PolarHBondContact O-N 3.16Å; I908-L911 VanDerWaalsContact O-N 3.12Å; I908-E912 WeakPolarHBondContact CG1-OE1 3.29Å; I908-E912 WeakPolarHBondContact O-CG 3.42Å; I908-E912 PolarHBondContact O-N 3.27Å
909V86.7Confident87.1Confident66 Ų6658.4 Ų58.440%0.430%0.303SS..Hα-helixtrans-66.9-38.6-176.9-176.10000112.1L911 K913V909-L911 VanDerWaalsContact C-N 3.33Å; V909-L911 PolarHBondContact O-N 2.94Å; V909-K913 HydrophobicContact CG1-CD 4.43Å; V909-K913 WeakPolarHBondContact O-CB 3.43Å; V909-K913 WeakPolarHBondContact O-CG 3.22Å; V909-K913 PolarHBondContact O-N 3.36Å
910C87.8Confident87.2Confident33 Ų3362.4 Ų62.422%0.22331%0.314CS..Hα-helixtrans-65.4-36.8174.1-67.30000112V898 Y906 D907 I908 I914V898-C910 HydrophobicContact CG1-CB 4.32Å; Y906-C910 HydrophobicContact CD1-CB 3.96Å; Y906-C910 HydrophobicContact CG-CB 4.17Å; D907-C910 WeakPolarHBondContact OD1-CB 3.46Å; D907-C910 PolarHBondContact OD1-N 3.37Å; D907-C910 PolarHBondContact OD1-SG 3.23Å; I908-C910 PolarHBondContact O-N 2.97Å; C910-I914 WeakPolarHBondContact O-CB 3.33Å; C910-I914 WeakPolarHBondContact O-CD1 3.21Å; C910-I914 WeakPolarHBondContact O-CG1 3.29Å; C910-I914 PolarHBondContact O-N 3.08Å
911L90.2Very high87.3Confident0 Ų060 Ų600%030%0.304CS..Hα-helixtrans-67.9-45.4178.5-64.9161.3000111.4K850 L853 R854 V857 P903 Y906 D907 I908 V909 K913 I914 L915K850-L911 HydrophobicContact CG-CD1 4.45Å; L853-L911 HydrophobicContact CB-CB 3.94Å; L853-L911 HydrophobicContact CB-CD1 4.08Å; R854-L911 HydrophobicContact CG-CD1 3.49Å; R854-L911 VanDerWaalsContact CG-CD1 3.49Å; R854-L911 HydrophobicContact CG-CD2 4.23Å; V857-L911 HydrophobicContact CB-CD2 3.8Å; V857-L911 HydrophobicContact CG1-CD2 4.1Å; V857-L911 HydrophobicContact CG2-CB 4.12Å; V857-L911 HydrophobicContact CG2-CD2 3.68Å; P903-L911 HydrophobicContact CB-CD2 4.46Å; Y906-L911 HydrophobicContact CD2-CD2 3.92Å; Y906-L911 HydrophobicContact CG-CD2 4.38Å; D907-L911 WeakPolarHBondContact O-CD1 3.43Å; D907-L911 WeakPolarHBondContact O-CG 3.24Å; I908-L911 WeakPolarHBondContact O-CB 3.47Å; I908-L911 PolarHBondContact O-N 3.16Å; I908-L911 VanDerWaalsContact O-N 3.12Å; V909-L911 VanDerWaalsContact C-N 3.33Å; V909-L911 PolarHBondContact O-N 2.94Å; L911-K913 PolarHBondContact O-N 3.18Å; L911-I914 PolarHBondContact O-N 3.3Å; L911-L915 WeakPolarHBondContact O-CG 3.44Å; L911-L915 PolarHBondContact O-N 2.91Å
912E88.4Confident87.4Confident60 Ų6057.7 Ų57.728%0.2830%0.303SS..Hα-helixtrans-55.4-49.9173.4-69160.4-142.700111.3L853 I908 I914 L915 Q916L853-E912 HydrophobicContact CD1-CG 3.91Å; L853-E912 HydrophobicContact CD2-CG 4.33Å; I908-E912 WeakPolarHBondContact CG1-OE1 3.29Å; I908-E912 WeakPolarHBondContact O-CG 3.42Å; I908-E912 PolarHBondContact O-N 3.27Å; E912-I914 VanDerWaalsContact C-N 3.34Å; E912-I914 PolarHBondContact O-N 3.33Å; E912-L915 PolarHBondContact O-N 2.9Å; E912-Q916 VanDerWaalsContact O-CG 3.32Å; E912-Q916 WeakPolarHBondContact O-CG 3.4Å; E912-Q916 PolarHBondContact O-N 2.64Å
913K88.8Confident87.6Confident100 Ų10056 Ų5644%0.43529%0.293SS..Hα-helixtrans-60.2-39.8177.1-74.2179.1173.1-171.40112.7P895 V909 L911 Q916 A917P895-K913 HydrophobicContact CB-CB 4.19Å; P895-K913 HydrophobicContact CG-CB 3.78Å; P895-K913 WeakPolarHBondContact CG-O 3.48Å; V909-K913 HydrophobicContact CG1-CD 4.43Å; V909-K913 WeakPolarHBondContact O-CB 3.43Å; V909-K913 WeakPolarHBondContact O-CG 3.22Å; V909-K913 PolarHBondContact O-N 3.36Å; L911-K913 PolarHBondContact O-N 3.18Å; K913-Q916 PolarHBondContact O-N 3.38Å; K913-A917 WeakPolarHBondContact O-CB 3.48Å; K913-A917 PolarHBondContact O-N 2.84Å; K913-A917 VanDerWaalsContact O-N 3.08Å
914I89.3Confident87.3Confident0 Ų060 Ų600%032%0.315CS..Hα-helixtrans-65.2-40.5176.9-69.4160.8000111V857 L860 F861 L894 P895 V898 Y906 C910 L911 E912 A917 A918V857-I914 HydrophobicContact CG1-CB 4.46Å; V857-I914 HydrophobicContact CG1-CD1 4.31Å; V857-I914 HydrophobicContact CG1-CG2 3.77Å; V857-I914 HydrophobicContact CG2-CB 4.2Å; V857-I914 HydrophobicContact CG2-CG2 4.03Å; L860-I914 HydrophobicContact CD2-CG2 4.16Å; F861-I914 HydrophobicContact CE1-CG2 3.61Å; F861-I914 HydrophobicContact CZ-CD1 4.24Å; F861-I914 HydrophobicContact CZ-CG2 3.87Å; L894-I914 HydrophobicContact CD2-CG1 4.13Å; L894-I914 HydrophobicContact CD2-CG2 4.41Å; P895-I914 HydrophobicContact CG-CG1 4.34Å; V898-I914 HydrophobicContact CG1-CD1 3.9Å; V898-I914 HydrophobicContact CG1-CG1 4.13Å; Y906-I914 HydrophobicContact CD2-CD1 3.73Å; Y906-I914 HydrophobicContact CE1-CD1 4.28Å; Y906-I914 HydrophobicContact CE2-CD1 3.46Å; Y906-I914 VanDerWaalsContact CE2-CD1 3.46Å; Y906-I914 HydrophobicContact CG-CD1 4.28Å; C910-I914 WeakPolarHBondContact O-CB 3.33Å; C910-I914 WeakPolarHBondContact O-CD1 3.21Å; C910-I914 WeakPolarHBondContact O-CG1 3.29Å; C910-I914 PolarHBondContact O-N 3.08Å; L911-I914 PolarHBondContact O-N 3.3Å; E912-I914 VanDerWaalsContact C-N 3.34Å; E912-I914 PolarHBondContact O-N 3.33Å; I914-A917 CarbonylContact O-C 3.58Å; I914-A917 PolarHBondContact O-N 2.97Å; I914-A918 PolarHBondContact O-N 3.15Å; I914-A918 VanDerWaalsContact O-N 3.16Å
915L88.1Confident87.3Confident46 Ų4658 Ų5824%0.24130%0.303CS..Hα-helixtrans-70-37.1176.7-66176.4000112.4L853 Q856 V857 L860 L911 E912 A917 A918L853-L915 HydrophobicContact CD2-CD1 3.56Å; Q856-L915 HydrophobicContact CB-CD1 3.87Å; Q856-L915 HydrophobicContact CB-CD2 4.01Å; V857-L915 HydrophobicContact CG2-CD1 4.17Å; V857-L915 HydrophobicContact CG2-CD2 3.64Å; V857-L915 HydrophobicContact CG2-CG 3.58Å; L860-L915 HydrophobicContact CD2-CD2 4.12Å; L911-L915 WeakPolarHBondContact O-CG 3.44Å; L911-L915 PolarHBondContact O-N 2.91Å; E912-L915 PolarHBondContact O-N 2.9Å; L915-A917 PolarHBondContact O-N 2.68Å; L915-A918 WeakPolarHBondContact O-CB 3.5Å; L915-A918 PolarHBondContact O-N 2.89Å; L915-A918 VanDerWaalsContact O-N 3.1Å
916Q88.6Confident86.7Confident158 Ų15858.9 Ų58.974%0.73830%0.3SS*.Hα-helixtrans-64.6-21.6171.3-69.2169.517.700112.7E912 K913E912-Q916 VanDerWaalsContact O-CG 3.32Å; E912-Q916 WeakPolarHBondContact O-CG 3.4Å; E912-Q916 PolarHBondContact O-N 2.64Å; K913-Q916 PolarHBondContact O-N 3.38Å
917A87.7Confident85.9Confident11 Ų1161.7 Ų61.79%0.09132%0.321CS..THydrogen-bonded Turntrans-98.28174.100000113.8P895 K913 I914 L915 D919 K920 V921P895-A917 HydrophobicContact CG-CB 4.12Å; K913-A917 WeakPolarHBondContact O-CB 3.48Å; K913-A917 PolarHBondContact O-N 2.84Å; K913-A917 VanDerWaalsContact O-N 3.08Å; I914-A917 CarbonylContact O-C 3.58Å; I914-A917 PolarHBondContact O-N 2.97Å; L915-A917 PolarHBondContact O-N 2.68Å; A917-D919 VanDerWaalsContact C-N 3.29Å; A917-D919 PolarHBondContact O-N 3.34Å; A917-D919 VanDerWaalsContact O-N 3.1Å; A917-K920 WeakPolarHBondContact O-CA 3.36Å; A917-K920 WeakPolarHBondContact O-CB 3.34Å; A917-K920 PolarHBondContact O-N 2.95Å; A917-V921 PolarHBondContact O-N 3.31Å; A917-V921 VanDerWaalsContact O-N 3.08Å
918A86.8Confident84.7Confident20 Ų2064.8 Ų64.817%0.16533%0.333CS..THydrogen-bonded Turntrans-53.5-38.4-167.200000115.3L860 I914 L915 K920 V921L860-A918 HydrophobicContact CD1-CB 3.82Å; L860-A918 HydrophobicContact CD2-CB 3.68Å; L860-A918 HydrophobicContact CG-CB 4.41Å; I914-A918 PolarHBondContact O-N 3.15Å; I914-A918 VanDerWaalsContact O-N 3.16Å; L915-A918 WeakPolarHBondContact O-CB 3.5Å; L915-A918 PolarHBondContact O-N 2.89Å; L915-A918 VanDerWaalsContact O-N 3.1Å; A918-K920 VanDerWaalsContact C-N 3.28Å; A918-K920 PolarHBondContact O-N 3.41Å; A918-V921 PolarHBondContact O-N 3.3Å
919D85.4Confident83.3Confident154 Ų15465.5 Ų65.582%0.82434%0.337SS*.THydrogen-bonded Turntrans-74.5-18.2179-58.4-48.2000113.4A917A917-D919 VanDerWaalsContact C-N 3.29Å; A917-D919 PolarHBondContact O-N 3.34Å; A917-D919 VanDerWaalsContact O-N 3.1Å
920K85.6Confident81.1Confident153 Ų15367.9 Ų67.967%0.66534%0.344SS*.THydrogen-bonded Turntrans-90.3-29.6176.1-56.1177.4-176.9175.50111.8G893 A917 A918 T922G893-K920 WeakPolarHBondContact CA-O 3.3Å; A917-K920 WeakPolarHBondContact O-CA 3.36Å; A917-K920 WeakPolarHBondContact O-CB 3.34Å; A917-K920 PolarHBondContact O-N 2.95Å; A918-K920 VanDerWaalsContact C-N 3.28Å; A918-K920 PolarHBondContact O-N 3.41Å; K920-T922 PolarHBondContact O-N 2.95Å; K920-T922 VanDerWaalsContact O-N 3.16Å; K920-T922 PolarHBondContact O-OG1 3.44Å
921V89.3Confident78.9Confident0 Ų070.6 Ų70.60%036%0.361CS..  trans-60117.3179.2174.20000110F861 K864 G892 L894 A917 A918 F923F861-V921 HydrophobicContact CD1-CG1 4.14Å; F861-V921 HydrophobicContact CE1-CG1 3.99Å; K864-V921 WeakPolarHBondContact CD-O 3.17Å; K864-V921 HydrophobicContact CG-CG1 4.46Å; K864-V921 WeakPolarHBondContact CG-O 3.4Å; G892-V921 WeakPolarHBondContact O-CA 3.47Å; L894-V921 HydrophobicContact CD2-CG2 4.14Å; A917-V921 PolarHBondContact O-N 3.31Å; A917-V921 VanDerWaalsContact O-N 3.08Å; A918-V921 PolarHBondContact O-N 3.3Å; V921-F923 HydrophobicContact CG1-CE2 4.17Å
922T86Confident76.1Confident75 Ų7581.4 Ų81.446%0.4641%0.409SS..EExtended strand (participates in β ladder)trans-133.5143.1-175.4390000110V891 G892 K920V891-T922 CarbonylContact C-O 3.41Å; V891-T922 WeakPolarHBondContact CA-O 3.48Å; G892-T922 PolarHBondContact N-O 3.31Å; G892-T922 PolarHBondContact O-N 3.45Å; G892-T922 PolarHBondContact O-OG1 3.44Å; K920-T922 PolarHBondContact O-N 2.95Å; K920-T922 VanDerWaalsContact O-N 3.16Å; K920-T922 PolarHBondContact O-OG1 3.44Å
923F89.7Confident73.5Confident17 Ų1781.8 Ų81.88%0.07542%0.422CS..EExtended strand (participates in β ladder)trans-111.8134.2173.1-76.6-109.8000108.1F861 K864 Y865 A868 V877 V889 V891 F900 V921F861-F923 HydrophobicContact CB-CE2 4.42Å; F861-F923 HydrophobicContact CB-CZ 4.14Å; F861-F923 HydrophobicContact CD1-CE2 4.29Å; F861-F923 HydrophobicContact CD1-CZ 4.42Å; F861-F923 HydrophobicContact CG-CE2 4.47Å; F861-F923 HydrophobicContact CG-CZ 4.22Å; K864-F923 HydrophobicContact CB-CD2 3.64Å; K864-F923 HydrophobicContact CB-CE2 3.93Å; Y865-F923 AromaticContact CD2-CD1 3.75Å; Y865-F923 HydrophobicContact CD2-CD1 3.75Å; Y865-F923 HydrophobicContact CD2-CE1 4.22Å; Y865-F923 HydrophobicContact CD2-CG 4.4Å; Y865-F923 HydrophobicContact CG-CD1 4.47Å; A868-F923 HydrophobicContact CB-CB 3.62Å; A868-F923 WeakPolarHBondContact CB-O 3.12Å; V877-F923 HydrophobicContact CG1-CE1 4.01Å; V889-F923 HydrophobicContact CG1-CD1 3.81Å; V891-F923 HydrophobicContact CG1-CD2 4.35Å; V891-F923 HydrophobicContact CG1-CE1 4.33Å; V891-F923 HydrophobicContact CG1-CE2 4.11Å; V891-F923 HydrophobicContact CG1-CZ 4.11Å; V891-F923 HydrophobicContact CG2-CD1 3.69Å; V891-F923 HydrophobicContact CG2-CE1 3.62Å; V891-F923 HydrophobicContact CG2-CG 4.34Å; V891-F923 HydrophobicContact CG2-CZ 4.2Å; F900-F923 AromaticContact CE2-CE1 3.95Å; F900-F923 HydrophobicContact CE2-CE1 3.95Å; F900-F923 AromaticContact CE2-CZ 3.69Å; F900-F923 HydrophobicContact CE2-CZ 3.69Å; F900-F923 AromaticContact CZ-CE1 3.82Å; F900-F923 HydrophobicContact CZ-CE1 3.82Å; F900-F923 HydrophobicContact CZ-CZ 4.01Å; V921-F923 HydrophobicContact CG1-CE2 4.17Å
924N83Confident70.8Confident85 Ų8585.5 Ų85.546%0.45544%0.441SS..EExtended strand (participates in β ladder)trans-126.7112179.5-176.410.2000108.9V889 E890 K926V889-N924 WeakPolarHBondContact CA-O 3.12Å; E890-N924 HydrophobicContact CB-CB 4.29Å; E890-N924 PolarHBondContact N-O 3.11Å; E890-N924 PolarHBondContact O-N 3.49Å; E890-N924 PolarHBondContact OE2-ND2 3.08Å; N924-K926 PolarHBondContact O-N 2.88Å
925I84.8Confident68Low42 Ų4293.6 Ų93.622%0.21548%0.482CS..EExtended strand (participates in β ladder)trans-95.992-170.4-56.4-179.8000108.6Y865 A868 L869 S888 V889Y865-I925 HydrophobicContact CD2-CD1 4.32Å; Y865-I925 HydrophobicContact CE2-CD1 3.92Å; A868-I925 HydrophobicContact CB-CD1 4.08Å; A868-I925 HydrophobicContact CB-CG1 4.24Å; L869-I925 HydrophobicContact CD2-CD1 3.5Å; L869-I925 VanDerWaalsContact CD2-CD1 3.5Å; L869-I925 HydrophobicContact CG-CD1 3.63Å; S888-I925 CarbonylContact O-C 3.54Å; V889-I925 HydrophobicContact CG2-CG1 4.34Å; V889-I925 HydrophobicContact CG2-CG2 4.43Å
926K75.7Confident65Low112 Ų11296.6 Ų96.649%0.48751%0.506SS..SBendtrans-73.8-26-178.2-65.6179.2-178.81740113E887 S888 E890 N924E887-K926 WeakPolarHBondContact O-CB 3.49Å; S888-K926 PolarHBondContact O-N 2.94Å; E890-K926 HydrophobicContact CB-CD 4.46Å; E890-K926 WeakPolarHBondContact OE1-CE 3.3Å; E890-K926 IonicContact OE1-NZ 3.98Å; E890-K926 PolarHBondContact OE1-NZ 3.23Å; E890-K926 WeakPolarHBondContact OE2-CE 3.47Å; E890-K926 IonicContact OE2-NZ 2.67Å; E890-K926 PolarHBondContact OE2-NZ 2.86Å; N924-K926 PolarHBondContact O-N 2.88Å
927S68.9Low62.1Low73 Ų7395.2 Ų95.251%0.5151%0.514SS..SBendtrans-145.4135.4173.8-171.30000110.5S888 L929S888-S927 PolarHBondContact O-N 3.08Å; S888-S927 VanDerWaalsContact O-N 3.14Å; S927-L929 PolarHBondContact O-N 2.88Å; S927-L929 VanDerWaalsContact O-N 3.13Å
928Q60.8Low59.4Low140 Ų140103.9 Ų103.965%0.65455%0.552SS**  trans-67.6113.8-179.4-168.9179.936.400109.7Q930Q928-Q930 VanDerWaalsContact C-N 3.29Å; Q928-Q930 PolarHBondContact O-N 3.04Å
929L57.8Low56.5Low31 Ų31107.3 Ų107.316%0.16258%0.581CS.*  trans-6385.2175.5-80.2175000111.3P878 L881 I882 S885 S888 V889 S927 P931P878-L929 HydrophobicContact CG-CD1 3.95Å; L881-L929 HydrophobicContact CB-CD1 4.16Å; L881-L929 HydrophobicContact CB-CD2 4.09Å; I882-L929 HydrophobicContact CG1-CD1 3.71Å; S885-L929 WeakPolarHBondContact OG-CD2 3.47Å; S888-L929 WeakPolarHBondContact OG-CD2 3.45Å; V889-L929 HydrophobicContact CG2-CD1 3.8Å; V889-L929 HydrophobicContact CG2-CG 4.32Å; S927-L929 PolarHBondContact O-N 2.88Å; S927-L929 VanDerWaalsContact O-N 3.13Å; L929-P931 WeakPolarHBondContact O-CD 3.37Å
930Q41.5Very low53.7Low116 Ų116105.5 Ų105.554%0.54258%0.578SS.*  trans-57.1114.8179.2-74.4-69.7-40.800111Q928Q928-Q930 VanDerWaalsContact C-N 3.29Å; Q928-Q930 PolarHBondContact O-N 3.04Å
931P41.1Very low51Low90 Ų90105.9 Ų105.958%0.58459%0.588SS**  trans-65.4159.1161.5-11.629.4000109L929 A933L929-P931 WeakPolarHBondContact O-CD 3.37Å; P931-A933 PolarHBondContact O-N 3.08Å
932F31.5Very low48.1Very low227 Ų227112 Ų112100%0.99663%0.626SS**SBendtrans-81.149.8178-133.8-84.5000112.4
933A34.3Very low45.2Very low67 Ų67113.7 Ų113.755%0.55465%0.647SS**SBendtrans-161.2153.9174.100000110.4P931P931-A933 PolarHBondContact O-N 3.08Å
934E30.6Very low42.3Very low179 Ų179116.1 Ų116.184%0.83668%0.676SS**  trans6781.6170.1-57-172.1130.800117.5
935I30.4Very low39.6Very low170 Ų170118.1 Ų118.187%0.87269%0.692SS**  trans-68.4128.9150.9-64.8174.1000108.1
936C26.1Very low36.8Very low109 Ų109123.4 Ų123.474%0.73672%0.721SS**  trans-27.3145-169.7-61.20000119.9
937S26.7Very low34.4Very low129 Ų129122.4 Ų122.490%0.90273%0.733SS**  trans-140.787.1148.8-760000111
938Q30.6Very low32.4Very low193 Ų193123.9 Ų123.990%0.90274%0.743SS**  trans-140150.9168.1-89.1-170.7-6.300107
939A26Very low30.9Very low92 Ų92123.9 Ų123.976%0.7675%0.753SS**  cis-142.3174.83.200000111
940C27.1Very low29.5Very low115 Ų115129.7 Ų129.778%0.77779%0.785SS**  trans-72.7147.1167.4-58.70000111.5
941N28.5Very low28.8Very low161 Ų161135.3 Ų135.386%0.86180%0.801SS**  trans-170.3177.3130.4-94.6-25.3000111.6
942T28.7Very low28.2Very low130 Ų130141.8 Ų141.880%0.79881%0.814SS**  trans-104.5159-149.744.90000117.3
943A26.6Very low28Very low109 Ų109139.7 Ų139.790%0.90180%0.804SS**  trans77.1137.915300000120.6
944G26.9Very low27.8Very low68 Ų68147.1 Ų147.170%0.70182%0.818SS**  trans127.777.5147.600000119.9
945T26.5Very low27.6Very low128 Ų128147.2 Ų147.279%0.78582%0.816SS**  trans66.1106.9131.2-44.10000121.8
946D26.4Very low27.4Very low153 Ų153150.9 Ų150.982%0.81882%0.818SS**  trans70.7132.9137-60.2-15.4000127
947A26.4Very low27.4Very low90 Ų90150 Ų15074%0.74481%0.81SS**  trans77.295.5134.100000123.5
948S25.3Very low27.4Very low104 Ų104153 Ų15373%0.72781%0.809SS**  46.5125.4112.1-167.50000121.8
949T30.8Very low27.2Very low140 Ų140151.9 Ų151.986%0.85980%0.804SS**  -178.3164.7109.728.90000114.7
950N26.9Very low27.3Very low154 Ų154152.9 Ų152.982%0.82481%0.805SS**  trans-87.3150.9177.7-87.4-96.2000113.7
951R28.5Very low27.3Very low234 Ų234151.9 Ų151.988%0.88380%0.8SS**  -178.4117.6128.2-103.3163.6179.2-161.90.2119.3
952R28.5Very low27.2Very low225 Ų225155.2 Ų155.285%0.84980%0.8SS**  31.7114.5126.4-63.4-179.7177.6178.6-0123
953K26Very low27Very low184 Ų184156.9 Ų156.980%0.880%0.802SS**  72.4123.5108-143.8-175.9-170.2170.50122.2
954R30.5Very low27.8Very low223 Ų223157.7 Ų157.784%0.84280%0.799SS**  trans120.9107.6142.5-71.4-170.7161.9161.2-5.9121.1
955K26.3Very low27.8Very low181 Ų181159 Ų15979%0.78780%0.803SS**  57.9114117.3-168.9-175.9177.7179.20123.3V957K955-V957 HydrophobicContact CD-CG2 4.38Å; K955-V957 HydrophobicContact CG-CG2 3.87Å
956R27.1Very low27.7Very low246 Ų246158.8 Ų158.893%0.92881%0.807SS**  trans-162.2135.5133.4-113.3175.1176154.5-1.1107
957V25.6Very low27.9Very low92 Ų92156.1 Ų156.156%0.55880%0.8SS**  cis97.395.319.6-177.70000115.6K955K955-V957 HydrophobicContact CD-CG2 4.38Å; K955-V957 HydrophobicContact CG-CG2 3.87Å
958Q27.1Very low27.9Very low190 Ų190158.2 Ų158.289%0.88880%0.799SS**  trans179.5125.5145.6-101.1174.3-14.300105.8
959E25.4Very low28.2Very low170 Ų170161.1 Ų161.179%0.79481%0.805SS**  cis95.3140.410.3-162164.3-147.400117.5
960S27.4Very low27.9Very low113 Ų113158 Ų15879%0.7980%0.8SS**  trans75139.1-175.6-71.60000116.9
961S26.8Very low28Very low94 Ų94158.9 Ų158.966%0.65780%0.803SS**  cis-162.7170.4-9.456.10000108.7
962R27.4Very low27.8Very low232 Ų232153.5 Ų153.588%0.87580%0.801SS**  cis-149.8169.529.3-63177.6176.3173.7-2.1112.8
963I24.8Very low28Very low164 Ų164146.8 Ų146.884%0.84179%0.794SS**  trans-144.6154.2173.533.8166.7000107.5
964P42.8Very low28.1Very low127 Ų127145 Ų14583%0.82579%0.793SS**  -144.1-15257.940.7-19.4000113.6
965A26.8Very low28Very low96 Ų96143.5 Ų143.579%0.79380%0.796SS**  -173.1161.3-67.300000109.8
966S24.9Very low28.2Very low123 Ų123142.1 Ų142.186%0.8680%0.795SS**  trans178.4151.4142-170.50000112.1
967S29.8Very low28.6Very low96 Ų96135.6 Ų135.667%0.67179%0.785SS**  trans-91.6-177.3174-31.80000111.8
968D27.4Very low28.7Very low134 Ų134137.6 Ų137.672%0.71780%0.797SS**  cis-159.4166.39.7-134.7-38.5000114.3
969L30.7Very low28.7Very low166 Ų166137 Ų13787%0.86980%0.797SS**  trans54.4135.3160.5-60.2172.3000121.1
970G25.1Very low28.8Very low73 Ų73137.3 Ų137.375%0.75380%0.798SS**  trans-178.6-14.7172.800000122.3
971I28Very low28.7Very low174 Ų174143.1 Ų143.189%0.89280%0.803SS**  trans50.2108172.1-44.3175.6000118
972S25.7Very low28.9Very low120 Ų120143.4 Ų143.484%0.83980%0.802SS**  trans-155.6135.4138.3-173.30000110.1
973A31.7Very low28.7Very low84 Ų84139.5 Ų139.569%0.69480%0.796SS**  trans-123.6130.2179.700000110.2
974N28.3Very low28.9Very low146 Ų146141.6 Ų141.678%0.78180%0.795SS**  trans-16295.4159.1-101.2-40.1000110.8
975Q29.3Very low28.2Very low193 Ų193141.4 Ų141.490%0.90278%0.784SS**  trans-103.6131.4148.4-67.9-177900106.7
976I30.6Very low28.2Very low151 Ų151143.6 Ų143.677%0.77479%0.788SS**  trans-131139.3169.8-72.4-175000108
977P34.9Very low28.4Very low110 Ų110143.7 Ų143.771%0.71478%0.778SS**  trans-128-169.9-137.441.9-26.4000114.8M979P977-M979 PolarHBondContact O-N 2.58Å
978V27.6Very low28.5Very low134 Ų134149.5 Ų149.581%0.81279%0.787SS**PPolyproline II helixtrans-49.4130.3166.9179.10000111.3
979M27.4Very low28.5Very low178 Ų178148.9 Ų148.988%0.87779%0.793SS**PPolyproline II helixtrans-86.6116.5165-80.1-162.173.100111.2P977P977-M979 PolarHBondContact O-N 2.58Å
980Q27.6Very low28.4Very low175 Ų175144.2 Ų144.282%0.81879%0.785SS**PPolyproline II helixtrans-90.3140.4171179.6177.8-5.900109.5
981W25.7Very low28.7Very low235 Ų235147.9 Ų147.989%0.8979%0.793SS**PPolyproline II helixtrans-81.7144.7175.2-76.493.4000111.6M983W981-M983 PolarHBondContact O-N 2.76Å
982P30.7Very low28.7Very low100 Ų100146.1 Ų146.165%0.64979%0.785SS**PPolyproline II helixtrans-72.4123.9-172.2-19.133.4000113.7Y984P982-Y984 HydrophobicContact CB-CD2 4.27Å; P982-Y984 HydrophobicContact CB-CE2 4.22Å
983M23.8Very low28.8Very low151 Ų151147.2 Ų147.274%0.74479%0.787SS**PPolyproline II helixtrans-80.2136152-106.6-74.9-72.800108.4W981 M985W981-M983 PolarHBondContact O-N 2.76Å; M983-M985 HydrophobicContact CE-CG 3.92Å
984Y28.6Very low28.6Very low208 Ų208150.3 Ų150.382%0.81679%0.787SS**  trans-118.999.9165.1-94.2-78.3000109.9P982P982-Y984 HydrophobicContact CB-CD2 4.27Å; P982-Y984 HydrophobicContact CB-CE2 4.22Å
985M27Very low28.6Very low123 Ų123149.3 Ų149.361%0.60679%0.785SS**  trans-71.5150.9152.5-75.6161.950.700109M983 D987M983-M985 HydrophobicContact CE-CG 3.92Å; M985-D987 WeakPolarHBondContact CE-OD2 3.38Å
986V27.4Very low28.8Very low142 Ų142146 Ų14686%0.86178%0.781SS**  trans-124.5120.1158.6177.70000106.1
987D29.7Very low28.7Very low124 Ų124142.5 Ų142.566%0.66378%0.782SS**  trans-89.8168.8-165.3-97.7-52.6000115M985M985-D987 WeakPolarHBondContact CE-OD2 3.38Å
988Y30.4Very low28.7Very low218 Ų218146.6 Ų146.686%0.85579%0.788SS**  trans-71.8150.6-169.8-82.4-103.1000116.1
989S29.2Very low28.8Very low122 Ų122147 Ų14785%0.85379%0.791SS**  trans-150.1141.7131.766.50000110.2
990G28.6Very low29.5Very low68 Ų68144.9 Ų144.970%0.70178%0.783SS**  cis151.1101.4-10.800000112.8
991V30.5Very low30.1Very low149 Ų149151.5 Ų151.590%0.90380%0.803SS**  trans-139.8126.5171-172.90000110
992N28.1Very low30.3Very low138 Ų138147.3 Ų147.374%0.73880%0.799SS**  trans-88.8138-177.7-86.1-39000113.3
993V28.1Very low30.3Very low143 Ų143149.8 Ų149.887%0.86781%0.806SS**  trans-145.1156.9142.1-170.40000108.1
994Q26.7Very low30.7Very low149 Ų149149.7 Ų149.770%0.69681%0.81SS**  trans-137.9169.7-166.7-65.6-169-5.700111.5
995V28.7Very low30.8Very low124 Ų124146.3 Ų146.375%0.75281%0.81SS**  cis-135.6-68.418.5-150.10000117.1
996P33.1Very low31Very low124 Ų124147.8 Ų147.881%0.80582%0.822SS**  trans-126137.6-132.737.4-23.2000117.8
997G29.7Very low31.3Very low78 Ų78148.1 Ų148.180%0.80482%0.82SS**  trans-165.8119.3159.400000110.4
998K33.2Very low31.4Very low195 Ų195149.9 Ų149.985%0.84883%0.831SS**  trans-87.4131.6177-78.4-172.2177-176.40110.8
999V31.4Very low31.5Very low143 Ų143144.6 Ų144.687%0.86783%0.829SS**  trans-119.3127.3151.5-176.80000106.1
1000N41Very low31.7Very low134 Ų134146.5 Ų146.572%0.71783%0.827SS**  trans-86.3152.8170.1-61.9-45000108.6
1001Y40.8Very low31.9Very low313 Ų313153.6 Ų153.6100%1.22784%0.838SS**  trans-58.60172.6-65.9-88.2000112.5

Retrieved 1,001 of 1,001 residues in 1215.1 ms (Link to these results)