A0A077YWP9_TRITR Loading...

Xanthine dehydrogenase

AlphaFold DB , UniProt , Accession A0A077YWP9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,331 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
1M31.3Very low27.1Very low70 Ų70114.6 Ų114.635%0.34559%0.585SS.*  092.20-75.4-170.5-179.500110.8L298 E300 V384M1-L298 HydrophobicContact SD-CD2 4.19Å; M1-E300 HydrophobicContact CE-CB 3.53Å; M1-E300 HydrophobicContact CE-CG 3.67Å; M1-V384 HydrophobicContact CB-CB 4.48Å
2T25.9Very low27Very low75 Ų75118 Ų11846%0.4660%0.596SS.*  trans-124.6107.4177.8-27.70000108Y4T2-Y4 HydrophobicContact CG2-CD2 3.43Å; T2-Y4 VanDerWaalsContact CG2-CD2 3.43Å; T2-Y4 HydrophobicContact CG2-CE2 3.47Å; T2-Y4 VanDerWaalsContact CG2-CE2 3.47Å; T2-Y4 HydrophobicContact CG2-CG 4.48Å; T2-Y4 PolarHBondContact O-N 2.59Å
3L29.2Very low26.9Very low63 Ų63118.8 Ų118.833%0.3362%0.619SS.*  trans-68.479.2167.5-87.4155000107.9L5 L294L3-L5 VanDerWaalsContact C-N 3.34Å; L3-L5 HydrophobicContact CD2-CD1 4.37Å; L3-L5 PolarHBondContact O-N 2.77Å; L3-L294 HydrophobicContact CD2-CD1 4.19Å
4Y25.7Very low26.9Very low131 Ų131122.5 Ų122.551%0.51462%0.621SS.*  trans-84.583167.9-97.1-73.8000108.4T2 Y6T2-Y4 HydrophobicContact CG2-CD2 3.43Å; T2-Y4 VanDerWaalsContact CG2-CD2 3.43Å; T2-Y4 HydrophobicContact CG2-CE2 3.47Å; T2-Y4 VanDerWaalsContact CG2-CE2 3.47Å; T2-Y4 HydrophobicContact CG2-CG 4.48Å; T2-Y4 PolarHBondContact O-N 2.59Å; Y4-Y6 HydrophobicContact CD1-CD2 4.48Å; Y4-Y6 PolarHBondContact O-N 2.9Å
5L32.1Very low27.1Very low63 Ų63121.1 Ų121.133%0.3363%0.625SS.*  trans-81.786.9166.4-75.8158.9000108.3L3 I279 F375L3-L5 VanDerWaalsContact C-N 3.34Å; L3-L5 HydrophobicContact CD2-CD1 4.37Å; L3-L5 PolarHBondContact O-N 2.77Å; L5-I279 HydrophobicContact CD1-CD1 3.45Å; L5-I279 VanDerWaalsContact CD1-CD1 3.45Å; L5-I279 HydrophobicContact CD2-CD1 3.83Å; L5-I279 HydrophobicContact CG-CD1 4.27Å; L5-F375 HydrophobicContact CB-CD1 4.44Å
6Y25.8Very low27.6Very low152 Ų152124 Ų12460%0.59663%0.627SS**  trans-89.1101.8166.7-127.2-88.9000108.1Y4 A8 K378Y4-Y6 HydrophobicContact CD1-CD2 4.48Å; Y4-Y6 PolarHBondContact O-N 2.9Å; Y6-A8 PolarHBondContact O-N 3.43Å; Y6-K378 VanDerWaalsContact OH-CD 3.32Å; Y6-K378 WeakPolarHBondContact OH-CD 3.43Å; Y6-K378 WeakPolarHBondContact OH-CE 3.38Å; Y6-K378 PolarHBondContact OH-NZ 2.87Å
7A27.5Very low28Very low71 Ų71123 Ų12359%0.58762%0.624SS**  trans-73.6107.5166.100000108.1Y9A7-Y9 PolarHBondContact O-N 3.33Å
8A25.2Very low28.5Very low98 Ų98124.4 Ų124.481%0.8162%0.622SS**  trans-65.1103.816400000107.7Y6 N10Y6-A8 PolarHBondContact O-N 3.43Å; A8-N10 PolarHBondContact O-N 3.32Å
9Y25Very low29Very low210 Ų210121.2 Ų121.282%0.82462%0.616SS**  trans-76.1101.2179-148.3-92.1000108.6A7A7-Y9 PolarHBondContact O-N 3.33Å
10N25.4Very low29.2Very low153 Ų153116.5 Ų116.582%0.81860%0.6SS**  trans-142.1108.8158.1-98.3-18.6000109.6A8A8-N10 PolarHBondContact O-N 3.32Å
11Q25Very low29.5Very low175 Ų175116.9 Ų116.982%0.81860%0.603SS**SBendtrans37.491.5151.6-65.6-177.9-19.300118.5
12E25.8Very low30Very low155 Ų155119.4 Ų119.472%0.72462%0.622SS**  164.7126.5119.1-91.8-171.4-179.600108.7R14E12-R14 PolarHBondContact O-N 3.01Å
13S25.9Very low30.7Very low128 Ų128120.6 Ų120.690%0.89563%0.634SS**  trans-62.391.3174.746.40000110.9
14R27.1Very low31.5Very low171 Ų171125.7 Ų125.765%0.64566%0.656SS**  trans-127.3118.1163.4-72.5-173.8-176.2-168.91.5109E12 Y16E12-R14 PolarHBondContact O-N 3.01Å; R14-Y16 VanDerWaalsContact C-N 3.35Å; R14-Y16 HydrophobicContact CB-CD2 4.34Å; R14-Y16 HydrophobicContact CB-CE2 4.08Å; R14-Y16 WeakPolarHBondContact O-CD2 3.41Å; R14-Y16 PolarHBondContact O-N 3.15Å
15C29.6Very low33Very low101 Ų101128 Ų12868%0.68267%0.668SS**  trans-59.499.7162.8-67.70000107.8N17C15-N17 PolarHBondContact O-N 3.24Å; C15-N17 VanDerWaalsContact O-N 3.07Å
16Y34.5Very low34.8Very low168 Ų168130.6 Ų130.666%0.65968%0.677SS**  trans-74.797.2169.7-80-89000107.6R14 Y18R14-Y16 VanDerWaalsContact C-N 3.35Å; R14-Y16 HydrophobicContact CB-CD2 4.34Å; R14-Y16 HydrophobicContact CB-CE2 4.08Å; R14-Y16 WeakPolarHBondContact O-CD2 3.41Å; R14-Y16 PolarHBondContact O-N 3.15Å; Y16-Y18 PolarHBondContact O-N 3.38Å; Y16-Y18 VanDerWaalsContact O-N 3.16Å
17N34.7Very low37.2Very low107 Ų107127.3 Ų127.357%0.57267%0.673SS**EExtended strand (participates in β ladder)trans-68.7104.4159.8-81-24.3000106.6C15 A19C15-N17 PolarHBondContact O-N 3.24Å; C15-N17 VanDerWaalsContact O-N 3.07Å; N17-A19 PolarHBondContact O-N 3.34Å
18Y37.3Very low40Very low148 Ų148126.7 Ų126.758%0.5866%0.658SS**EExtended strand (participates in β ladder)trans-78.959158.2-147.6-85.5000107Y16 G20 C271 F293Y16-Y18 PolarHBondContact O-N 3.38Å; Y16-Y18 VanDerWaalsContact O-N 3.16Å; Y18-G20 PolarHBondContact O-N 3.11Å; Y18-C271 PolarHBondContact N-O 2.99Å; Y18-F293 HydrophobicContact CD1-CD2 4.11Å; Y18-F293 HydrophobicContact CD1-CE2 4.49Å; Y18-F293 HydrophobicContact CD2-CD2 4.31Å; Y18-F293 HydrophobicContact CD2-CE2 4.16Å; Y18-F293 AromaticContact CG-CD2 3.9Å; Y18-F293 HydrophobicContact CG-CD2 3.9Å; Y18-F293 AromaticContact CG-CE2 3.85Å; Y18-F293 HydrophobicContact CG-CE2 3.85Å
19A37.9Very low42.9Very low63 Ų63126.8 Ų126.852%0.52164%0.638SS.*  trans-65.2105136.200000101.1N17N17-A19 PolarHBondContact O-N 3.34Å
20G33.9Very low46Very low28 Ų28117.5 Ų117.529%0.28960%0.604SS.*  trans-46157.816600000107.8Y18 V22Y18-G20 PolarHBondContact O-N 3.11Å; G20-V22 VanDerWaalsContact O-CG2 3.28Å; G20-V22 WeakPolarHBondContact O-CG2 3.41Å; G20-V22 PolarHBondContact O-N 3.29Å
21D34.9Very low49.2Very low125 Ų125113 Ų11367%0.66858%0.582SS**SBendtrans-64.866.6162.5-155.85.9000107.9S23D21-S23 PolarHBondContact O-N 2.77Å
22V40.8Very low52.2Low122 Ų122105.4 Ų105.474%0.73955%0.546SS*.THydrogen-bonded Turntrans-70.8-15.9-172-176.10000108.9G20 Q24G20-V22 VanDerWaalsContact O-CG2 3.28Å; G20-V22 WeakPolarHBondContact O-CG2 3.41Å; G20-V22 PolarHBondContact O-N 3.29Å; V22-Q24 PolarHBondContact O-N 2.7Å
23S41.2Very low55.4Low101 Ų101103.1 Ų103.171%0.70655%0.548SS*.THydrogen-bonded Turntrans-79.8-8.1-178.461.70000114.6D21D21-S23 PolarHBondContact O-N 2.77Å
24Q45.9Very low58.3Low169 Ų169101 Ų10179%0.7953%0.532SS*.THydrogen-bonded Turntrans-135.8-17.4179.1-69.1-158.6-4.900117.8V22V22-Q24 PolarHBondContact O-N 2.7Å
25K58.4Low61.2Low179 Ų17993.4 Ų93.478%0.77850%0.504SS*.  trans-97.3108.1-175.7-144.6176.5-175.4-178.20112T27K25-T27 PolarHBondContact O-N 3.33Å
26K68.8Low64.1Low118 Ų11890.7 Ų90.751%0.51348%0.482SS..  trans-62.8116.9174.6-63.8168.7-179.5178.80109.8F194K26-F194 HydrophobicContact CD-CB 3.67Å; K26-F194 HydrophobicContact CD-CG 4.21Å; K26-F194 HydrophobicContact CG-CB 4.49Å
27T75.7Confident66.6Low84 Ų8484.3 Ų84.352%0.51546%0.461SS..  trans-103.8137.1175.945.30000110.8K25 Y29K25-T27 PolarHBondContact O-N 3.33Å; T27-Y29 WeakPolarHBondContact OG1-CE2 3.18Å
28H86.4Confident69.2Low57 Ų5786.1 Ų86.126%0.26447%0.47SS..  trans-112.2127.6179.3-63.7-76000109.8K90 N91H28-K90 HydrophobicContact CB-CB 4.24Å; H28-N91 PolarHBondContact N-OD1 3.07Å; H28-N91 PolarHBondContact O-ND2 3.5Å
29Y87.4Confident71.7Confident101 Ų10180.8 Ų80.840%0.39645%0.454SS..  trans-126.2138.2179.3-57.9-82.9000110.5T27 D289 N308T27-Y29 WeakPolarHBondContact OG1-CE2 3.18Å; Y29-D289 PolarHBondContact OH-OD1 3.31Å; Y29-N308 HydrophobicContact CD1-CB 4.27Å
30S90.4Very high74Confident15 Ų1578.4 Ų78.411%0.10543%0.432CS..  trans-84134.5165.751.50000110.1H305 N308S30-H305 PolarHBondContact OG-CD2 2.87Å; S30-H305 PolarHBondContact OG-NE2 2.79Å; S30-N308 PolarHBondContact N-ND2 2.96Å; S30-N308 PolarHBondContact O-ND2 3.23Å
31V91Very high76.6Confident58 Ų5879.2 Ų79.235%0.35243%0.429SS..  trans-138.8157.7-177.5-60.90000110.2M36 V309V31-M36 HydrophobicContact CB-CE 4.02Å; V31-M36 HydrophobicContact CG1-CE 3.96Å; V31-M36 HydrophobicContact CG2-CE 4.1Å; V31-V309 HydrophobicContact CB-CG1 4.36Å; V31-V309 HydrophobicContact CG1-CG1 3.62Å
32N89.7Confident79.2Confident15 Ų1575.7 Ų75.78%0.0841%0.409CS..  trans-84.2115171.6-65.7-36.4000109C34 L35 M36 H305N32-C34 PolarHBondContact O-N 2.89Å; N32-L35 HydrophobicContact CB-CD1 4.33Å; N32-L35 HydrophobicContact CB-CG 4.34Å; N32-L35 PolarHBondContact O-N 3.32Å; N32-L35 VanDerWaalsContact O-N 3.1Å; N32-M36 PolarHBondContact O-N 3.45Å; N32-H305 PolarHBondContact OD1-ND1 2.85Å
33S91.6Very high81.4Confident107 Ų10770.7 Ų70.775%0.74838%0.382SS*.G310 helixtrans-59.4-34.6-179.552.90000112.6L35 M36S33-L35 PolarHBondContact O-N 3.24Å; S33-L35 VanDerWaalsContact O-N 3.15Å; S33-M36 PolarHBondContact O-N 3.47Å
34C88Confident83.7Confident83 Ų8371.6 Ų71.656%0.56137%0.373SS*.G310 helixtrans-63.2-17.9177.761.50000114.6N32 F246N32-C34 PolarHBondContact O-N 2.89Å; C34-F246 VanDerWaalsContact O-CE2 3.24Å; C34-F246 WeakPolarHBondContact O-CE2 3.28Å; C34-F246 WeakPolarHBondContact O-CZ 3.28Å
35L88.1Confident85.7Confident13 Ų1365.7 Ų65.77%0.06835%0.353CS..G310 helixtrans-106.9-5.7179-60-179.8000112.9N32 S33 P37 N242 F246 I306N32-L35 HydrophobicContact CB-CD1 4.33Å; N32-L35 HydrophobicContact CB-CG 4.34Å; N32-L35 PolarHBondContact O-N 3.32Å; N32-L35 VanDerWaalsContact O-N 3.1Å; S33-L35 PolarHBondContact O-N 3.24Å; S33-L35 VanDerWaalsContact O-N 3.15Å; L35-P37 VanDerWaalsContact O-CD 3.31Å; L35-P37 WeakPolarHBondContact O-CD 3.41Å; L35-N242 WeakPolarHBondContact O-CB 3.01Å; L35-N242 PolarHBondContact O-ND2 3.01Å; L35-F246 HydrophobicContact CD2-CB 4.05Å; L35-F246 HydrophobicContact CD2-CD1 3.17Å; L35-F246 HydrophobicContact CD2-CD2 4.35Å; L35-F246 HydrophobicContact CD2-CE1 3.61Å; L35-F246 HydrophobicContact CD2-CG 3.59Å; L35-F246 HydrophobicContact CD2-CZ 4.36Å; L35-I306 HydrophobicContact CD1-CD1 3.52Å
36M89.7Confident87.3Confident44 Ų4461.8 Ų61.822%0.21734%0.344CS..  trans-98.9106.2-171.7-173.96168.500110.6V31 N32 S33 L38 H40 L41 V309V31-M36 HydrophobicContact CB-CE 4.02Å; V31-M36 HydrophobicContact CG1-CE 3.96Å; V31-M36 HydrophobicContact CG2-CE 4.1Å; N32-M36 PolarHBondContact O-N 3.45Å; S33-M36 PolarHBondContact O-N 3.47Å; M36-L38 PolarHBondContact O-N 3.1Å; M36-H40 HydrophobicContact SD-CB 3.81Å; M36-L41 HydrophobicContact CG-CD1 4.41Å; M36-L41 HydrophobicContact CG-CD2 3.9Å; M36-L41 HydrophobicContact CG-CG 4.2Å; M36-L41 HydrophobicContact SD-CD2 4.36Å; M36-V309 HydrophobicContact CE-CG1 3.59Å
37P87.3Confident88.4Confident34 Ų3458.8 Ų58.822%0.22134%0.336CS..  trans-63138.8176.5-19.833.8000110.6L35 C39 H40 N242L35-P37 VanDerWaalsContact O-CD 3.31Å; L35-P37 WeakPolarHBondContact O-CD 3.41Å; P37-C39 PolarHBondContact O-N 3.32Å; P37-C39 VanDerWaalsContact O-N 3.15Å; P37-H40 VanDerWaalsContact O-CB 3.32Å; P37-H40 WeakPolarHBondContact O-CB 3.46Å; P37-H40 PolarHBondContact O-N 2.93Å; P37-N242 HydrophobicContact CG-CB 4.1Å; P37-N242 WeakPolarHBondContact CG-ND2 3.26Å
38L89.7Confident89.3Confident145 Ų14557.6 Ų57.676%0.75933%0.328SS*.G310 helixtrans-56.3-35.4178.3-173.166.2000112M36 H40 L41M36-L38 PolarHBondContact O-N 3.1Å; L38-H40 PolarHBondContact O-N 2.96Å; L38-H40 VanDerWaalsContact O-N 3.15Å; L38-L41 HydrophobicContact CD1-CD1 4.25Å; L38-L41 WeakPolarHBondContact O-CB 3.46Å; L38-L41 PolarHBondContact O-N 2.67Å
39C89Confident89.5Confident35 Ų3555.2 Ų55.224%0.23632%0.318CS..G310 helixtrans-60.9-21.3177.4-59.70000113.7P37 L41 F210 F217P37-C39 PolarHBondContact O-N 3.32Å; P37-C39 VanDerWaalsContact O-N 3.15Å; C39-L41 VanDerWaalsContact C-N 3.29Å; C39-F210 HydrophobicContact CB-CD2 3.67Å; C39-F210 HydrophobicContact CB-CE2 3.86Å; C39-F210 HydrophobicContact CB-CG 4.46Å; C39-F210 VanDerWaalsContact SG-CD2 3.6Å; C39-F217 HydrophobicContact CB-CD1 3.75Å; C39-F217 HydrophobicContact CB-CD2 4.2Å; C39-F217 HydrophobicContact CB-CE1 3.7Å; C39-F217 HydrophobicContact CB-CE2 4.15Å; C39-F217 HydrophobicContact CB-CG 3.99Å; C39-F217 HydrophobicContact CB-CZ 3.88Å
40H86.5Confident89.7Confident13 Ų1355.3 Ų55.36%0.0632%0.322CS..G310 helixtrans-76.8-16176.5-73.2-150.5000113M36 P37 L38 K44 F217 A240 H261M36-H40 HydrophobicContact SD-CB 3.81Å; P37-H40 VanDerWaalsContact O-CB 3.32Å; P37-H40 WeakPolarHBondContact O-CB 3.46Å; P37-H40 PolarHBondContact O-N 2.93Å; L38-H40 PolarHBondContact O-N 2.96Å; L38-H40 VanDerWaalsContact O-N 3.15Å; H40-K44 WeakPolarHBondContact O-CE 3.22Å; H40-F217 AromaticContact CD2-CE2 3.67Å; H40-F217 AromaticContact CD2-CZ 3.32Å; H40-F217 WeakPolarHBondContact CD2-CZ 3.43Å; H40-F217 AromaticContact NE2-CE2 3.54Å; H40-F217 AromaticContact NE2-CZ 3.5Å; H40-A240 PolarHBondContact CE1-O 3.46Å; H40-A240 PolarHBondContact ND1-O 2.96Å; H40-H261 AromaticContact CE1-CD2 3.74Å; H40-H261 AromaticContact NE2-CD2 3.81Å
41L89.2Confident89.5Confident46 Ų4657.1 Ų57.124%0.24133%0.334CS..G310 helixtrans-92.13.4-169.9-61.3175.9000113.7M36 L38 C39 G43 K44 V46M36-L41 HydrophobicContact CG-CD1 4.41Å; M36-L41 HydrophobicContact CG-CD2 3.9Å; M36-L41 HydrophobicContact CG-CG 4.2Å; M36-L41 HydrophobicContact SD-CD2 4.36Å; L38-L41 HydrophobicContact CD1-CD1 4.25Å; L38-L41 WeakPolarHBondContact O-CB 3.46Å; L38-L41 PolarHBondContact O-N 2.67Å; C39-L41 VanDerWaalsContact C-N 3.29Å; L41-G43 PolarHBondContact O-N 3.23Å; L41-K44 HydrophobicContact CD2-CD 4.45Å; L41-K44 WeakPolarHBondContact O-CB 3.45Å; L41-K44 PolarHBondContact O-N 2.85Å; L41-V46 HydrophobicContact CD1-CG2 3.77Å; L41-V46 HydrophobicContact CD2-CG2 4.19Å; L41-V46 HydrophobicContact CG-CG2 4.49Å
42H88.8Confident89.2Confident50 Ų5054.3 Ų54.323%0.23132%0.318CS..THydrogen-bonded Turntrans-56.4128.5174.7-170.771.7000111.2K44 Y203 E206 L208H42-K44 VanDerWaalsContact C-N 3.25Å; H42-K44 PolarHBondContact O-N 2.88Å; H42-Y203 AromaticContact CE1-CD1 3.96Å; H42-Y203 AromaticContact NE2-CD1 3.62Å; H42-E206 IonicContact CD2-OE2 2.76Å; H42-E206 IonicContact CE1-OE2 3.31Å; H42-E206 PolarHBondContact CE1-OE2 2.86Å; H42-E206 IonicContact NE2-OE2 3.65Å; H42-E206 PolarHBondContact NE2-OE2 2.84Å; H42-L208 HydrophobicContact CB-CD1 4.03Å; H42-L208 VanDerWaalsContact CD2-CD1 3.42Å; H42-L208 WeakPolarHBondContact CD2-CD1 3.35Å
43G86.8Confident88.8Confident17 Ų1754.4 Ų54.418%0.17532%0.319CS..THydrogen-bonded Turntrans74.45.2-175.700000115.2L41L41-G43 PolarHBondContact O-N 3.23Å
44K88.5Confident87.3Confident121 Ų12153 Ų5353%0.52630%0.301SS..  trans-111.8157.5-177.3-54.7-173.5-173.2-62.90111.8H40 L41 H42H40-K44 WeakPolarHBondContact O-CE 3.22Å; L41-K44 HydrophobicContact CD2-CD 4.45Å; L41-K44 WeakPolarHBondContact O-CB 3.45Å; L41-K44 PolarHBondContact O-N 2.85Å; H42-K44 VanDerWaalsContact C-N 3.25Å; H42-K44 PolarHBondContact O-N 2.88Å
45A89.3Confident85.6Confident45 Ų4555.1 Ų55.137%0.37232%0.317SS..  trans-107.3132.1173.700000110.4F194 P195 L198A45-F194 HydrophobicContact CB-CD2 4.16Å; A45-F194 HydrophobicContact CB-CE2 3.88Å; A45-P195 HydrophobicContact CB-CG 4.18Å; A45-L198 HydrophobicContact CB-CD1 4.04Å
46V92.3Very high83.6Confident96 Ų9665.6 Ų65.658%0.58236%0.355SS*.  trans-102.5137.4173.7-179.60000109.2L41 T48L41-V46 HydrophobicContact CD1-CG2 3.77Å; L41-V46 HydrophobicContact CD2-CG2 4.19Å; L41-V46 HydrophobicContact CG-CG2 4.49Å; V46-T48 HydrophobicContact CG1-CG2 4.32Å
47T91.6Very high82.1Confident56 Ų5667.2 Ų67.234%0.34438%0.383SS..  trans-122131172.8-52.20000108.2I52 M83 Y86 L192T47-I52 HydrophobicContact CG2-CG2 3.86Å; T47-M83 HydrophobicContact CG2-CE 4.07Å; T47-M83 VanDerWaalsContact O-CE 3.29Å; T47-M83 WeakPolarHBondContact O-CE 3.29Å; T47-Y86 HydrophobicContact CG2-CE1 4.1Å; T47-L192 HydrophobicContact CG2-CD1 4.15Å
48T93.2Very high81.4Confident58 Ų5868 Ų6836%0.35639%0.389SS..  trans-114.3175.7175.669.60000110.6V46 E50 S51V46-T48 HydrophobicContact CG1-CG2 4.32Å; T48-E50 WeakPolarHBondContact CB-OE2 3.34Å; T48-E50 PolarHBondContact O-N 3.21Å; T48-E50 PolarHBondContact OG1-OE2 2.94Å; T48-S51 PolarHBondContact N-OG 2.75Å; T48-S51 VanDerWaalsContact O-CB 3.31Å; T48-S51 WeakPolarHBondContact O-CB 3.48Å; T48-S51 PolarHBondContact O-N 3.31Å; T48-S51 VanDerWaalsContact O-N 3.07Å; T48-S51 PolarHBondContact OG1-OG 3.48Å
49V92Very high81.1Confident7 Ų763.7 Ų63.74%0.04237%0.366CS..Hα-helixtrans-62.9-32.3-177.9680000112.5S51 I52 Q63 P79 I82 M83 V531V49-S51 VanDerWaalsContact C-N 3.26Å; V49-S51 PolarHBondContact O-N 2.86Å; V49-I52 WeakPolarHBondContact O-CG1 3.41Å; V49-Q63 PolarHBondContact O-NE2 2.96Å; V49-Q63 VanDerWaalsContact O-NE2 3.13Å; V49-P79 HydrophobicContact CB-CB 4.06Å; V49-P79 HydrophobicContact CG1-CB 3.85Å; V49-P79 HydrophobicContact CG1-CG 4.23Å; V49-P79 HydrophobicContact CG2-CB 4.31Å; V49-I82 HydrophobicContact CG2-CD1 4.38Å; V49-I82 HydrophobicContact CG2-CG2 4.25Å; V49-M83 VanDerWaalsContact CA-SD 3.58Å; V49-M83 HydrophobicContact CB-CG 4.35Å; V49-M83 HydrophobicContact CB-SD 4.18Å; V49-M83 PolarHBondContact N-SD 3.01Å; V49-M83 VanDerWaalsContact N-SD 3.42Å; V49-V531 WeakPolarHBondContact CG2-O 3.4Å
50E90.3Very high80.9Confident103 Ų10362.1 Ų62.148%0.48136%0.355SS..Hα-helixtrans-69.8-28177.9-57.184.9169.400111.3T48T48-E50 WeakPolarHBondContact CB-OE2 3.34Å; T48-E50 PolarHBondContact O-N 3.21Å; T48-E50 PolarHBondContact OG1-OE2 2.94Å
51S86.5Confident80.9Confident53 Ų5362.8 Ų62.837%0.37136%0.358SS..Hα-helixtrans-72.8-28.8-175.7-55.80000112.8T48 V49T48-S51 PolarHBondContact N-OG 2.75Å; T48-S51 VanDerWaalsContact O-CB 3.31Å; T48-S51 WeakPolarHBondContact O-CB 3.48Å; T48-S51 PolarHBondContact O-N 3.31Å; T48-S51 VanDerWaalsContact O-N 3.07Å; T48-S51 PolarHBondContact OG1-OG 3.48Å; V49-S51 VanDerWaalsContact C-N 3.26Å; V49-S51 PolarHBondContact O-N 2.86Å
52I85.9Confident81Confident0 Ų060.6 Ų60.60%035%0.347CS..Hα-helixtrans-87.3-15.2-177.563.7164.8000112.7T47 V49 H60 Q63 I82 M83 Y86 T189 L192T47-I52 HydrophobicContact CG2-CG2 3.86Å; V49-I52 WeakPolarHBondContact O-CG1 3.41Å; I52-H60 HydrophobicContact CB-CB 4.39Å; I52-H60 HydrophobicContact CD1-CB 4.08Å; I52-H60 HydrophobicContact CG1-CB 4.3Å; I52-Q63 HydrophobicContact CD1-CG 4.02Å; I52-I82 HydrophobicContact CD1-CG2 3.51Å; I52-M83 HydrophobicContact CD1-SD 4.44Å; I52-Y86 HydrophobicContact CB-CE2 4.35Å; I52-Y86 HydrophobicContact CD1-CD2 4.4Å; I52-Y86 HydrophobicContact CG2-CD1 4.2Å; I52-Y86 HydrophobicContact CG2-CD2 3.87Å; I52-Y86 HydrophobicContact CG2-CE1 3.95Å; I52-Y86 HydrophobicContact CG2-CE2 3.6Å; I52-Y86 HydrophobicContact CG2-CG 4.17Å; I52-T189 WeakPolarHBondContact O-CB 3.43Å; I52-T189 WeakPolarHBondContact O-CG2 3.34Å; I52-L192 HydrophobicContact CG2-CD1 4.37Å
53S79.6Confident81.1Confident16 Ų1658.2 Ų58.211%0.11234%0.336CS..SBendtrans-74.8136.1168.9-620000109.1S55 Q63S53-S55 PolarHBondContact O-N 3.28Å; S53-Q63 VanDerWaalsContact OG-CD 3.25Å; S53-Q63 PolarHBondContact OG-NE2 3.06Å; S53-Q63 PolarHBondContact OG-OE1 3.01Å
54E61.4Low81.3Confident78 Ų7859.8 Ų59.836%0.36434%0.338SS..  trans-64.1140.4175.1-73.8-174172.200109.6R56 G57 S58 T189E54-R56 PolarHBondContact O-N 2.85Å; E54-G57 PolarHBondContact O-N 2.91Å; E54-S58 WeakPolarHBondContact CB-OG 3.19Å; E54-S58 VanDerWaalsContact CG-OG 3.29Å; E54-S58 WeakPolarHBondContact CG-OG 3.24Å; E54-S58 PolarHBondContact N-O 3.08Å; E54-S58 VanDerWaalsContact N-O 3.13Å; E54-S58 PolarHBondContact OE2-OG 3.1Å; E54-T189 HydrophobicContact CB-CG2 4.41Å; E54-T189 HydrophobicContact CG-CG2 3.3Å
55S52.1Low81.3Confident128 Ų12854 Ų5490%0.89531%0.313SS*.THydrogen-bonded Turntrans-61.711.2175.752.80000114.3S53S53-S55 PolarHBondContact O-N 3.28Å
56R45.7Very low81.4Confident233 Ų23351.9 Ų51.988%0.87930%0.295SS*.THydrogen-bonded Turntrans-142.529.8-179.8-63.8-171.9-179.7-179.90.2114.5E54E54-R56 PolarHBondContact O-N 2.85Å
57G57.7Low81.3Confident77 Ų7747.6 Ų47.679%0.79427%0.27SS*.SBendtrans91.27.4160.200000117.1E54E54-G57 PolarHBondContact O-N 2.91Å
58S73.1Confident81.1Confident50 Ų5049.1 Ų49.135%0.3527%0.273SS..PPolyproline II helixtrans-93.7135.8167.586.80000110.3E54E54-S58 WeakPolarHBondContact CB-OG 3.19Å; E54-S58 VanDerWaalsContact CG-OG 3.29Å; E54-S58 WeakPolarHBondContact CG-OG 3.24Å; E54-S58 PolarHBondContact N-O 3.08Å; E54-S58 VanDerWaalsContact N-O 3.13Å; E54-S58 PolarHBondContact OE2-OG 3.1Å
59M83Confident80.9Confident56 Ų5647.7 Ų47.728%0.27626%0.261SS..PPolyproline II helixtrans-84144.3178.9-69.5-179.2-6600109.9Q63 K64 K528 V531M59-Q63 HydrophobicContact CB-CB 4.09Å; M59-K64 HydrophobicContact CB-CB 4.28Å; M59-K64 HydrophobicContact CE-CB 4.34Å; M59-K64 HydrophobicContact CE-CG 4.41Å; M59-K528 HydrophobicContact CE-CD 4.5Å; M59-K528 HydrophobicContact CE-CG 4.15Å; M59-K528 HydrophobicContact SD-CB 4.18Å; M59-K528 HydrophobicContact SD-CG 3.99Å; M59-V531 HydrophobicContact SD-CG2 3.76Å
60H86.4Confident80.7Confident1 Ų148.7 Ų48.71%0.00527%0.265CS..PPolyproline II helixtrans-58.3150.4167.4-169.5-85000110.4I52 I62 Q63 K64 Y86 T189 D190I52-H60 HydrophobicContact CB-CB 4.39Å; I52-H60 HydrophobicContact CD1-CB 4.08Å; I52-H60 HydrophobicContact CG1-CB 4.3Å; H60-I62 VanDerWaalsContact C-N 3.29Å; H60-I62 VanDerWaalsContact CE1-CD1 3.46Å; H60-I62 WeakPolarHBondContact CE1-CD1 3.46Å; H60-I62 WeakPolarHBondContact ND1-CG1 3.5Å; H60-I62 PolarHBondContact ND1-N 3.4Å; H60-I62 PolarHBondContact O-N 2.79Å; H60-Q63 HydrophobicContact CB-CB 4.37Å; H60-Q63 HydrophobicContact CB-CG 3.98Å; H60-Q63 WeakPolarHBondContact O-CA 3.45Å; H60-Q63 WeakPolarHBondContact O-CB 3.41Å; H60-Q63 PolarHBondContact O-N 2.74Å; H60-K64 PolarHBondContact O-N 3.26Å; H60-Y86 AromaticContact NE2-CD2 3.86Å; H60-Y86 AromaticContact NE2-CE2 3.63Å; H60-T189 PolarHBondContact CD2-OG1 2.95Å; H60-T189 VanDerWaalsContact CD2-OG1 3.28Å; H60-D190 IonicContact CE1-OD1 2.72Å; H60-D190 IonicContact NE2-OD1 3.79Å; H60-D190 PolarHBondContact NE2-OD1 3.04Å
61E86.1Confident80.7Confident28 Ų2843.8 Ų43.813%0.13124%0.242CC..Hα-helixtrans-58.4-40.9-176.3-162.763.1-153.100111.9Q63 K64 V65 F129 F184 T187E61-Q63 VanDerWaalsContact C-N 3.33Å; E61-Q63 PolarHBondContact O-N 3.27Å; E61-K64 PolarHBondContact O-N 3.46Å; E61-K64 IonicContact OE1-NZ 2.88Å; E61-K64 PolarHBondContact OE1-NZ 3.26Å; E61-K64 IonicContact OE2-NZ 2.78Å; E61-V65 HydrophobicContact CG-CG2 4.18Å; E61-V65 WeakPolarHBondContact O-CB 3.48Å; E61-V65 VanDerWaalsContact O-CG2 3.26Å; E61-V65 WeakPolarHBondContact O-CG2 3.44Å; E61-V65 PolarHBondContact O-N 2.68Å; E61-F129 HydrophobicContact CG-CE1 4.25Å; E61-F129 HydrophobicContact CG-CZ 4.47Å; E61-F184 HydrophobicContact CB-CE2 4.4Å; E61-T187 HydrophobicContact CB-CG2 4.32Å
62I90.1Very high81Confident0 Ų041.5 Ų41.50%023%0.226CC..Hα-helixtrans-54.7-46172-56167.1000112H60 L66 I82 M85 Y86 L89 F126 F129H60-I62 VanDerWaalsContact C-N 3.29Å; H60-I62 VanDerWaalsContact CE1-CD1 3.46Å; H60-I62 WeakPolarHBondContact CE1-CD1 3.46Å; H60-I62 WeakPolarHBondContact ND1-CG1 3.5Å; H60-I62 PolarHBondContact ND1-N 3.4Å; H60-I62 PolarHBondContact O-N 2.79Å; I62-L66 WeakPolarHBondContact O-CB 2.97Å; I62-L66 PolarHBondContact O-N 2.69Å; I62-I82 HydrophobicContact CG2-CB 4.43Å; I62-I82 HydrophobicContact CG2-CG1 4.35Å; I62-I82 HydrophobicContact CG2-CG2 4.04Å; I62-M85 HydrophobicContact CD1-CG 4.43Å; I62-M85 HydrophobicContact CG2-CB 4.15Å; I62-M85 HydrophobicContact CG2-CG 4.22Å; I62-Y86 HydrophobicContact CD1-CD2 3.98Å; I62-Y86 HydrophobicContact CD1-CG 4.45Å; I62-L89 HydrophobicContact CD1-CD1 3.71Å; I62-L89 HydrophobicContact CG1-CD1 3.77Å; I62-F126 HydrophobicContact CG2-CE1 3.76Å; I62-F126 HydrophobicContact CG2-CZ 4.47Å; I62-F129 HydrophobicContact CG1-CE2 4.31Å; I62-F129 HydrophobicContact CG1-CZ 4.29Å
63Q91.8Very high81.3Confident0 Ų042.3 Ų42.30%023%0.23CC..Hα-helixtrans-65.3-44.5-179.6-66177.1-37.800110.8V49 I52 S53 M59 H60 E61 S67 I82 V531V49-Q63 PolarHBondContact O-NE2 2.96Å; V49-Q63 VanDerWaalsContact O-NE2 3.13Å; I52-Q63 HydrophobicContact CD1-CG 4.02Å; S53-Q63 VanDerWaalsContact OG-CD 3.25Å; S53-Q63 PolarHBondContact OG-NE2 3.06Å; S53-Q63 PolarHBondContact OG-OE1 3.01Å; M59-Q63 HydrophobicContact CB-CB 4.09Å; H60-Q63 HydrophobicContact CB-CB 4.37Å; H60-Q63 HydrophobicContact CB-CG 3.98Å; H60-Q63 WeakPolarHBondContact O-CA 3.45Å; H60-Q63 WeakPolarHBondContact O-CB 3.41Å; H60-Q63 PolarHBondContact O-N 2.74Å; E61-Q63 VanDerWaalsContact C-N 3.33Å; E61-Q63 PolarHBondContact O-N 3.27Å; Q63-S67 WeakPolarHBondContact O-CB 3.37Å; Q63-S67 PolarHBondContact O-N 2.79Å; Q63-S67 VanDerWaalsContact O-N 3.09Å; Q63-I82 HydrophobicContact CG-CD1 4.16Å; Q63-I82 HydrophobicContact CG-CG2 4.07Å; Q63-V531 HydrophobicContact CB-CB 3.96Å; Q63-V531 HydrophobicContact CB-CG2 3.86Å; Q63-V531 HydrophobicContact CG-CB 4.41Å; Q63-V531 WeakPolarHBondContact CG-O 3.32Å; Q63-V531 PolarHBondContact NE2-O 3.4Å
64K89.7Confident82.1Confident49 Ų4941.9 Ų41.921%0.21323%0.227CC..Hα-helixtrans-64.3-50179.3179.7-175.7160-145.10111.7M59 H60 E61 L66 S67 E68M59-K64 HydrophobicContact CB-CB 4.28Å; M59-K64 HydrophobicContact CE-CB 4.34Å; M59-K64 HydrophobicContact CE-CG 4.41Å; H60-K64 PolarHBondContact O-N 3.26Å; E61-K64 PolarHBondContact O-N 3.46Å; E61-K64 IonicContact OE1-NZ 2.88Å; E61-K64 PolarHBondContact OE1-NZ 3.26Å; E61-K64 IonicContact OE2-NZ 2.78Å; K64-L66 PolarHBondContact O-N 3.22Å; K64-S67 WeakPolarHBondContact O-CB 3.5Å; K64-S67 PolarHBondContact O-N 3.2Å; K64-E68 WeakPolarHBondContact CE-OE1 3.47Å; K64-E68 HydrophobicContact CG-CG 4.38Å; K64-E68 WeakPolarHBondContact CG-OE1 3.44Å; K64-E68 WeakPolarHBondContact O-CB 3.31Å; K64-E68 WeakPolarHBondContact O-CG 3.24Å; K64-E68 PolarHBondContact O-N 3.43Å
65V89.5Confident83.7Confident0 Ų038.2 Ų38.20%021%0.21CC..Hα-helixtrans-60.3-46.3179.5170.30000110.6E61 S67 E68 Y69 A125 F129 I182E61-V65 HydrophobicContact CG-CG2 4.18Å; E61-V65 WeakPolarHBondContact O-CB 3.48Å; E61-V65 VanDerWaalsContact O-CG2 3.26Å; E61-V65 WeakPolarHBondContact O-CG2 3.44Å; E61-V65 PolarHBondContact O-N 2.68Å; V65-S67 VanDerWaalsContact C-N 3.29Å; V65-S67 PolarHBondContact O-N 3.46Å; V65-E68 PolarHBondContact O-N 2.84Å; V65-Y69 HydrophobicContact CG1-CD2 3.91Å; V65-Y69 HydrophobicContact CG1-CE2 4.13Å; V65-Y69 WeakPolarHBondContact O-CB 3.44Å; V65-Y69 WeakPolarHBondContact O-CD2 3.34Å; V65-Y69 PolarHBondContact O-N 3.18Å; V65-A125 HydrophobicContact CG1-CB 4.05Å; V65-A125 WeakPolarHBondContact CG1-O 3.31Å; V65-F129 HydrophobicContact CB-CE2 4.36Å; V65-F129 HydrophobicContact CB-CZ 4.01Å; V65-F129 HydrophobicContact CG1-CE2 4.24Å; V65-F129 HydrophobicContact CG1-CZ 4.24Å; V65-F129 HydrophobicContact CG2-CE1 4.43Å; V65-F129 HydrophobicContact CG2-CZ 3.83Å; V65-I182 HydrophobicContact CG2-CD1 3.77Å
66L91.1Very high85.7Confident0 Ų035.2 Ų35.20%018%0.18CC..Hα-helixtrans-61.6-38.2178.1-168.166.4000112.5I62 K64 G71 T78 I82 I122 A125 F126I62-L66 WeakPolarHBondContact O-CB 2.97Å; I62-L66 PolarHBondContact O-N 2.69Å; K64-L66 PolarHBondContact O-N 3.22Å; L66-G71 WeakPolarHBondContact O-CA 3.37Å; L66-G71 PolarHBondContact O-N 3.41Å; L66-T78 HydrophobicContact CD2-CG2 3.73Å; L66-I82 HydrophobicContact CD2-CD1 3.91Å; L66-I82 HydrophobicContact CD2-CG1 3.62Å; L66-I122 HydrophobicContact CD1-CB 4.18Å; L66-I122 HydrophobicContact CD1-CD1 4.48Å; L66-I122 HydrophobicContact CD1-CG1 3.98Å; L66-I122 HydrophobicContact CD1-CG2 4.02Å; L66-A125 HydrophobicContact CD1-CB 3.98Å; L66-F126 HydrophobicContact CB-CE1 4.34Å; L66-F126 HydrophobicContact CD1-CE1 3.94Å; L66-F126 HydrophobicContact CD1-CE2 4.49Å; L66-F126 HydrophobicContact CD1-CZ 3.88Å; L66-F126 HydrophobicContact CD2-CE1 4.41Å; L66-F126 HydrophobicContact CD2-CZ 4.06Å; L66-F126 HydrophobicContact CG-CE1 4.48Å; L66-F126 HydrophobicContact CG-CZ 4.48Å
67S90.9Very high87.9Confident7 Ų724.4 Ų24.45%0.04914%0.14CC..Hα-helixtrans-64.3-50.8173.8166.60000112.1Q63 K64 V65 Y69 H70 V523 S527Q63-S67 WeakPolarHBondContact O-CB 3.37Å; Q63-S67 PolarHBondContact O-N 2.79Å; Q63-S67 VanDerWaalsContact O-N 3.09Å; K64-S67 WeakPolarHBondContact O-CB 3.5Å; K64-S67 PolarHBondContact O-N 3.2Å; V65-S67 VanDerWaalsContact C-N 3.29Å; V65-S67 PolarHBondContact O-N 3.46Å; S67-Y69 VanDerWaalsContact C-N 3.31Å; S67-Y69 PolarHBondContact O-N 3.33Å; S67-H70 PolarHBondContact O-N 2.85Å; S67-H70 VanDerWaalsContact O-N 3.13Å; S67-V523 WeakPolarHBondContact O-CG1 3.35Å; S67-S527 WeakPolarHBondContact CA-OG 3.26Å; S67-S527 WeakPolarHBondContact CB-OG 3.37Å; S67-S527 PolarHBondContact OG-OG 3.5Å
68E87.5Confident89.6Confident88 Ų8820.8 Ų20.841%0.41110%0.102SC..Hα-helixtrans-66.2-31-176-72.6175.1177.100112.8K64 V65 H70K64-E68 WeakPolarHBondContact CE-OE1 3.47Å; K64-E68 HydrophobicContact CG-CG 4.38Å; K64-E68 WeakPolarHBondContact CG-OE1 3.44Å; K64-E68 WeakPolarHBondContact O-CB 3.31Å; K64-E68 WeakPolarHBondContact O-CG 3.24Å; K64-E68 PolarHBondContact O-N 3.43Å; V65-E68 PolarHBondContact O-N 2.84Å; E68-H70 VanDerWaalsContact C-N 3.27Å; E68-H70 PolarHBondContact O-N 2.74Å
69Y87.6Confident90.5Very high28 Ų2820.1 Ų20.111%0.1110%0.096CC..THydrogen-bonded Turntrans-84.75.5175.3-84.5-102.3000114.1V65 S67 G71 S121 N124 A125 T128 S179V65-Y69 HydrophobicContact CG1-CD2 3.91Å; V65-Y69 HydrophobicContact CG1-CE2 4.13Å; V65-Y69 WeakPolarHBondContact O-CB 3.44Å; V65-Y69 WeakPolarHBondContact O-CD2 3.34Å; V65-Y69 PolarHBondContact O-N 3.18Å; S67-Y69 VanDerWaalsContact C-N 3.31Å; S67-Y69 PolarHBondContact O-N 3.33Å; Y69-G71 PolarHBondContact O-N 3.13Å; Y69-S121 WeakPolarHBondContact O-CB 3.38Å; Y69-N124 HydrophobicContact CD1-CB 4.3Å; Y69-A125 HydrophobicContact CD1-CB 4.48Å; Y69-A125 HydrophobicContact CD2-CB 4.39Å; Y69-A125 HydrophobicContact CG-CB 3.93Å; Y69-T128 HydrophobicContact CE1-CG2 4.27Å; Y69-T128 HydrophobicContact CE2-CG2 4.1Å; Y69-T128 WeakPolarHBondContact OH-CG2 3.39Å; Y69-S179 WeakPolarHBondContact CE2-OG 3.45Å; Y69-S179 PolarHBondContact OH-O 3.38Å; Y69-S179 PolarHBondContact OH-OG 3.36Å
70H88Confident90.9Very high28 Ų2818.3 Ų18.313%0.139%0.092CC..THydrogen-bonded Turntrans60.533.6-178.3-43.7-79.3000113S67 E68 T72 S121 A1172S67-H70 PolarHBondContact O-N 2.85Å; S67-H70 VanDerWaalsContact O-N 3.13Å; E68-H70 VanDerWaalsContact C-N 3.27Å; E68-H70 PolarHBondContact O-N 2.74Å; H70-T72 PolarHBondContact O-N 3.48Å; H70-T72 VanDerWaalsContact O-N 3.13Å; H70-S121 PolarHBondContact O-OG 3.22Å; H70-S121 VanDerWaalsContact O-OG 3.06Å; H70-A1172 VanDerWaalsContact CE1-CB 3.44Å; H70-A1172 WeakPolarHBondContact CE1-CB 3.44Å; H70-A1172 VanDerWaalsContact NE2-CB 3.34Å; H70-A1172 WeakPolarHBondContact NE2-CB 3.49Å
71G90.1Very high91.2Very high0 Ų018.3 Ų18.30%09%0.092CC..  trans-76.820.7174.400000114.2L66 Y69 S121L66-G71 WeakPolarHBondContact O-CA 3.37Å; L66-G71 PolarHBondContact O-N 3.41Å; Y69-G71 PolarHBondContact O-N 3.13Å; G71-S121 WeakPolarHBondContact CA-OG 3.15Å
72T93.3Very high91.5Very high5 Ų517 Ų173%0.0319%0.086CC..  trans-145.1137.7176.2178.90000111H70 G75 T78 S527 Q530 V531H70-T72 PolarHBondContact O-N 3.48Å; H70-T72 VanDerWaalsContact O-N 3.13Å; T72-G75 WeakPolarHBondContact OG1-CA 3.48Å; T72-T78 PolarHBondContact OG1-OG1 2.94Å; T72-S527 WeakPolarHBondContact CG2-OG 3.16Å; T72-Q530 PolarHBondContact OG1-OE1 3.11Å; T72-V531 HydrophobicContact CG2-CG1 4.46Å
73Q93.6Very high91.6Very high17 Ų1718.8 Ų18.88%0.07910%0.095CC..SBendtrans-127-88.3174.7-87.9-174.337.300109.4G75 C116 T117 Q530 G1021 G1176Q73-G75 VanDerWaalsContact C-N 3.25Å; Q73-G75 PolarHBondContact O-N 2.96Å; Q73-C116 HydrophobicContact CB-CB 3.66Å; Q73-C116 HydrophobicContact CG-CB 4.29Å; Q73-C116 PolarHBondContact NE2-O 2.95Å; Q73-C116 VanDerWaalsContact OE1-CA 3.22Å; Q73-C116 VanDerWaalsContact OE1-CB 3.28Å; Q73-C116 PolarHBondContact OE1-O 3.32Å; Q73-T117 HydrophobicContact CB-CG2 4.14Å; Q73-T117 HydrophobicContact CG-CG2 3.91Å; Q73-Q530 PolarHBondContact O-NE2 3.15Å; Q73-G1021 WeakPolarHBondContact CA-O 3.44Å; Q73-G1021 WeakPolarHBondContact CB-O 3.28Å; Q73-G1021 WeakPolarHBondContact CG-O 3.45Å; Q73-G1021 WeakPolarHBondContact O-CA 3.46Å; Q73-G1176 PolarHBondContact NE2-O 3.1Å; Q73-G1176 VanDerWaalsContact NE2-O 3.11Å
74C95.4Very high91.6Very high6 Ų618.9 Ų18.94%0.04110%0.096CC..SBendtrans-66-34.6176.173.50000110.9Q530 Y537 M1020 G1021C74-Q530 VanDerWaalsContact C-NE2 3.25Å; C74-Q530 PolarHBondContact O-NE2 2.9Å; C74-Y537 PolarHBondContact O-OH 2.71Å; C74-M1020 WeakPolarHBondContact CB-O 3.29Å; C74-G1021 VanDerWaalsContact CA-CA 3.44Å; C74-G1021 VanDerWaalsContact N-CA 3.26Å
75G94.2Very high91.7Very high2 Ų216.6 Ų16.62%0.0219%0.086CC..  trans89.83169.700000115.8T72 Q73 T78 Y537T72-G75 WeakPolarHBondContact OG1-CA 3.48Å; Q73-G75 VanDerWaalsContact C-N 3.25Å; Q73-G75 PolarHBondContact O-N 2.96Å; G75-T78 WeakPolarHBondContact CA-OG1 3.38Å; G75-T78 WeakPolarHBondContact O-CB 3.34Å; G75-T78 PolarHBondContact O-OG1 2.89Å; G75-Y537 WeakPolarHBondContact CA-OH 3.38Å; G75-Y537 PolarHBondContact O-OH 2.78Å
76Y94Very high91.8Very high65 Ų6517.1 Ų17.126%0.2559%0.088SC..SBendtrans-78-36-172.7-157-75.5000112.3T78 Y537 F710 E711Y76-T78 VanDerWaalsContact C-N 3.34Å; Y76-Y537 AromaticContact CD2-CD1 3.72Å; Y76-Y537 HydrophobicContact CD2-CD1 3.72Å; Y76-Y537 AromaticContact CD2-CD2 3.55Å; Y76-Y537 HydrophobicContact CD2-CD2 3.55Å; Y76-Y537 AromaticContact CD2-CE1 3.85Å; Y76-Y537 HydrophobicContact CD2-CE1 3.85Å; Y76-Y537 AromaticContact CD2-CE2 3.7Å; Y76-Y537 HydrophobicContact CD2-CE2 3.7Å; Y76-Y537 AromaticContact CD2-CG 3.58Å; Y76-Y537 HydrophobicContact CD2-CG 3.58Å; Y76-Y537 AromaticContact CD2-CZ 3.85Å; Y76-Y537 HydrophobicContact CE2-CD1 4.23Å; Y76-Y537 AromaticContact CE2-CD2 3.79Å; Y76-Y537 HydrophobicContact CE2-CD2 3.79Å; Y76-Y537 HydrophobicContact CE2-CE2 4.37Å; Y76-Y537 AromaticContact CE2-CG 3.73Å; Y76-Y537 HydrophobicContact CE2-CG 3.73Å; Y76-Y537 HydrophobicContact CG-CE2 4.34Å; Y76-Y537 PolarHBondContact N-OH 3.45Å; Y76-F710 HydrophobicContact CD1-CB 4.14Å; Y76-F710 AromaticContact CD1-CD1 3.16Å; Y76-F710 HydrophobicContact CD1-CD1 3.16Å; Y76-F710 AromaticContact CD1-CE1 3.86Å; Y76-F710 HydrophobicContact CD1-CE1 3.86Å; Y76-F710 HydrophobicContact CD1-CG 4.01Å; Y76-F710 AromaticContact CE1-CD1 3.61Å; Y76-F710 HydrophobicContact CE1-CD1 3.61Å; Y76-F710 HydrophobicContact CE1-CE1 4.17Å; Y76-F710 HydrophobicContact CG-CB 4.31Å; Y76-F710 HydrophobicContact CG-CD1 4.12Å; Y76-E711 HydrophobicContact CD2-CB 3.66Å; Y76-E711 HydrophobicContact CD2-CG 4.29Å; Y76-E711 HydrophobicContact CE2-CB 3.5Å; Y76-E711 VanDerWaalsContact CE2-CB 3.5Å; Y76-E711 HydrophobicContact CE2-CG 3.74Å; Y76-E711 HydrophobicContact CG-CB 4.38Å
77C91.8Very high91.7Very high6 Ų617.6 Ų17.64%0.0419%0.092CC..SBendtrans-79.8-17.217661.70000113.4G80 F81 F710C77-G80 PolarHBondContact O-N 3.23Å; C77-F81 HydrophobicContact CB-CD2 4.27Å; C77-F81 HydrophobicContact CB-CE2 4.09Å; C77-F81 WeakPolarHBondContact O-CD2 3.3Å; C77-F81 PolarHBondContact O-N 3.11Å; C77-F710 HydrophobicContact CB-CD2 4.34Å; C77-F710 HydrophobicContact CB-CE2 4.34Å
78T93.5Very high91.7Very high1 Ų118.3 Ų18.31%0.00610%0.095CC..Hα-helixtrans-54.6-45-170.9-55.90000113.6L66 T72 G75 Y76 G80 F81 I82 V531L66-T78 HydrophobicContact CD2-CG2 3.73Å; T72-T78 PolarHBondContact OG1-OG1 2.94Å; G75-T78 WeakPolarHBondContact CA-OG1 3.38Å; G75-T78 WeakPolarHBondContact O-CB 3.34Å; G75-T78 PolarHBondContact O-OG1 2.89Å; Y76-T78 VanDerWaalsContact C-N 3.34Å; T78-G80 VanDerWaalsContact C-N 3.29Å; T78-G80 PolarHBondContact O-N 3.41Å; T78-F81 PolarHBondContact O-N 3.09Å; T78-I82 HydrophobicContact CG2-CD1 3.77Å; T78-I82 WeakPolarHBondContact O-CG1 3.21Å; T78-I82 PolarHBondContact O-N 2.8Å; T78-V531 HydrophobicContact CG2-CB 4.37Å; T78-V531 HydrophobicContact CG2-CG1 3.82Å
79P93.1Very high91.7Very high35 Ų3514.6 Ų14.623%0.2278%0.078CC..Hα-helixtrans-55-41.2174.3-30.439.1000114.1V49 F81 I82 M83V49-P79 HydrophobicContact CB-CB 4.06Å; V49-P79 HydrophobicContact CG1-CB 3.85Å; V49-P79 HydrophobicContact CG1-CG 4.23Å; V49-P79 HydrophobicContact CG2-CB 4.31Å; P79-F81 PolarHBondContact O-N 3.37Å; P79-I82 PolarHBondContact O-N 3.4Å; P79-M83 WeakPolarHBondContact O-CG 3.42Å; P79-M83 PolarHBondContact O-N 3.47Å
80G91.7Very high91.6Very high18 Ų1815.9 Ų15.919%0.1868%0.084CC..Hα-helixtrans-63.7-44-178.200000112.7C77 T78 M83 A84 C107C77-G80 PolarHBondContact O-N 3.23Å; T78-G80 VanDerWaalsContact C-N 3.29Å; T78-G80 PolarHBondContact O-N 3.41Å; G80-M83 PolarHBondContact O-N 2.88Å; G80-A84 PolarHBondContact O-N 3.28Å; G80-A84 VanDerWaalsContact O-N 3.11Å; G80-C107 PolarHBondContact O-SG 2.86Å
81F91.6Very high91.4Very high1 Ų119.1 Ų19.10%0.00410%0.102CC..Hα-helixtrans-62.5-45.5176.6-81-82.1000112.4C77 T78 P79 M83 A84 M85 L104 C107 Q111 Y119 I122 F126C77-F81 HydrophobicContact CB-CD2 4.27Å; C77-F81 HydrophobicContact CB-CE2 4.09Å; C77-F81 WeakPolarHBondContact O-CD2 3.3Å; C77-F81 PolarHBondContact O-N 3.11Å; T78-F81 PolarHBondContact O-N 3.09Å; P79-F81 PolarHBondContact O-N 3.37Å; F81-M83 VanDerWaalsContact C-N 3.33Å; F81-M83 PolarHBondContact O-N 2.81Å; F81-A84 PolarHBondContact O-N 2.95Å; F81-M85 PolarHBondContact O-N 3.09Å; F81-L104 HydrophobicContact CD1-CD2 3.91Å; F81-C107 HydrophobicContact CD1-CB 4.44Å; F81-Q111 HydrophobicContact CE1-CG 3.79Å; F81-Q111 HydrophobicContact CE2-CG 4.18Å; F81-Q111 HydrophobicContact CZ-CB 4.37Å; F81-Q111 HydrophobicContact CZ-CG 3.45Å; F81-Q111 VanDerWaalsContact CZ-CG 3.45Å; F81-Y119 HydrophobicContact CZ-CD1 4.2Å; F81-Y119 HydrophobicContact CZ-CE1 4.27Å; F81-I122 HydrophobicContact CD1-CD1 4.16Å; F81-I122 HydrophobicContact CD1-CG2 3.79Å; F81-I122 HydrophobicContact CD2-CD1 3.82Å; F81-I122 HydrophobicContact CE1-CD1 4.03Å; F81-I122 HydrophobicContact CE1-CG2 3.94Å; F81-I122 HydrophobicContact CE2-CD1 3.72Å; F81-I122 HydrophobicContact CG-CD1 4.02Å; F81-I122 HydrophobicContact CG-CG2 4.35Å; F81-I122 HydrophobicContact CZ-CD1 3.79Å; F81-F126 HydrophobicContact CB-CE2 4.03Å; F81-F126 HydrophobicContact CB-CZ 4.13Å; F81-F126 HydrophobicContact CD1-CE2 4.19Å
82I92.9Very high91.2Very high0 Ų021.6 Ų21.60%012%0.115CC..Hα-helixtrans-61.3-44.4179.6-68.7166.9000110.3V49 I52 I62 Q63 L66 T78 P79 A84 M85 Y86 V531V49-I82 HydrophobicContact CG2-CD1 4.38Å; V49-I82 HydrophobicContact CG2-CG2 4.25Å; I52-I82 HydrophobicContact CD1-CG2 3.51Å; I62-I82 HydrophobicContact CG2-CB 4.43Å; I62-I82 HydrophobicContact CG2-CG1 4.35Å; I62-I82 HydrophobicContact CG2-CG2 4.04Å; Q63-I82 HydrophobicContact CG-CD1 4.16Å; Q63-I82 HydrophobicContact CG-CG2 4.07Å; L66-I82 HydrophobicContact CD2-CD1 3.91Å; L66-I82 HydrophobicContact CD2-CG1 3.62Å; T78-I82 HydrophobicContact CG2-CD1 3.77Å; T78-I82 WeakPolarHBondContact O-CG1 3.21Å; T78-I82 PolarHBondContact O-N 2.8Å; P79-I82 PolarHBondContact O-N 3.4Å; I82-A84 PolarHBondContact O-N 3.44Å; I82-M85 PolarHBondContact O-N 2.91Å; I82-Y86 VanDerWaalsContact O-CB 3.3Å; I82-Y86 WeakPolarHBondContact O-CB 3.39Å; I82-Y86 PolarHBondContact O-N 2.91Å; I82-V531 HydrophobicContact CD1-CB 3.77Å; I82-V531 HydrophobicContact CD1-CG1 4.22Å; I82-V531 WeakPolarHBondContact CD1-O 3.36Å
83M93Very high90.7Very high39 Ų3924.8 Ų24.819%0.19214%0.138CC..Hα-helixtrans-69.8-32.4-178.9-66.9-48-57.200113.4T47 V49 I52 P79 G80 F81 Y86 A87T47-M83 HydrophobicContact CG2-CE 4.07Å; T47-M83 VanDerWaalsContact O-CE 3.29Å; T47-M83 WeakPolarHBondContact O-CE 3.29Å; V49-M83 VanDerWaalsContact CA-SD 3.58Å; V49-M83 HydrophobicContact CB-CG 4.35Å; V49-M83 HydrophobicContact CB-SD 4.18Å; V49-M83 PolarHBondContact N-SD 3.01Å; V49-M83 VanDerWaalsContact N-SD 3.42Å; I52-M83 HydrophobicContact CD1-SD 4.44Å; P79-M83 WeakPolarHBondContact O-CG 3.42Å; P79-M83 PolarHBondContact O-N 3.47Å; G80-M83 PolarHBondContact O-N 2.88Å; F81-M83 VanDerWaalsContact C-N 3.33Å; F81-M83 PolarHBondContact O-N 2.81Å; M83-Y86 HydrophobicContact CE-CD1 4.1Å; M83-A87 WeakPolarHBondContact O-CB 3.3Å; M83-A87 PolarHBondContact O-N 3.4Å
84A91.6Very high90.2Very high2 Ų230.9 Ų30.92%0.01716%0.164CC..Hα-helixtrans-67.2-43.9172.100000112G80 F81 I82 A87 L88 L104 C107G80-A84 PolarHBondContact O-N 3.28Å; G80-A84 VanDerWaalsContact O-N 3.11Å; F81-A84 PolarHBondContact O-N 2.95Å; I82-A84 PolarHBondContact O-N 3.44Å; A84-A87 PolarHBondContact O-N 3.05Å; A84-L88 PolarHBondContact O-N 3.13Å; A84-L88 VanDerWaalsContact O-N 3.07Å; A84-L104 HydrophobicContact CB-CD2 4.37Å; A84-C107 WeakPolarHBondContact CB-SG 3.4Å
85M91.4Very high89.8Confident0 Ų030.6 Ų30.60%016%0.162CC..Hα-helixtrans-65.6-39.6176-167.966.1-163.600111.6I62 F81 I82 L88 L89 P95 I100 F126 F129I62-M85 HydrophobicContact CD1-CG 4.43Å; I62-M85 HydrophobicContact CG2-CB 4.15Å; I62-M85 HydrophobicContact CG2-CG 4.22Å; F81-M85 PolarHBondContact O-N 3.09Å; I82-M85 PolarHBondContact O-N 2.91Å; M85-L88 HydrophobicContact CE-CD2 4.31Å; M85-L88 PolarHBondContact O-N 2.87Å; M85-L88 HydrophobicContact SD-CD2 4.16Å; M85-L89 HydrophobicContact CE-CD1 3.83Å; M85-L89 HydrophobicContact CE-CD2 3.81Å; M85-L89 HydrophobicContact CE-CG 3.71Å; M85-L89 HydrophobicContact CG-CD1 4.07Å; M85-L89 HydrophobicContact CG-CG 4.42Å; M85-L89 WeakPolarHBondContact O-CG 3.45Å; M85-L89 PolarHBondContact O-N 3.16Å; M85-P95 HydrophobicContact CE-CG 4.27Å; M85-I100 HydrophobicContact CE-CD1 4.06Å; M85-I100 HydrophobicContact CE-CG1 3.95Å; M85-I100 HydrophobicContact SD-CG1 4.29Å; M85-I100 HydrophobicContact SD-CG2 4.23Å; M85-F126 HydrophobicContact CB-CD1 4.38Å; M85-F126 HydrophobicContact CB-CE1 4.16Å; M85-F126 HydrophobicContact CB-CE2 4.34Å; M85-F126 HydrophobicContact CB-CZ 4.13Å; M85-F126 HydrophobicContact CE-CB 4.49Å; M85-F126 HydrophobicContact CG-CD1 3.92Å; M85-F126 HydrophobicContact CG-CE1 4.14Å; M85-F126 HydrophobicContact CG-CG 4.15Å; M85-F126 HydrophobicContact SD-CB 4.03Å; M85-F126 HydrophobicContact SD-CD1 4.39Å; M85-F126 HydrophobicContact SD-CD2 4.46Å; M85-F126 HydrophobicContact SD-CG 4.07Å; M85-F129 HydrophobicContact CE-CB 3.77Å; M85-F129 HydrophobicContact CE-CD2 3.77Å; M85-F129 HydrophobicContact CE-CG 4.12Å
86Y91.3Very high89.5Confident11 Ų1135.3 Ų35.34%0.04318%0.184CC..Hα-helixtrans-60.8-46.8176-176.4-99.3000111.4T47 I52 H60 I62 I82 M83 L88 L89 K90T47-Y86 HydrophobicContact CG2-CE1 4.1Å; I52-Y86 HydrophobicContact CB-CE2 4.35Å; I52-Y86 HydrophobicContact CD1-CD2 4.4Å; I52-Y86 HydrophobicContact CG2-CD1 4.2Å; I52-Y86 HydrophobicContact CG2-CD2 3.87Å; I52-Y86 HydrophobicContact CG2-CE1 3.95Å; I52-Y86 HydrophobicContact CG2-CE2 3.6Å; I52-Y86 HydrophobicContact CG2-CG 4.17Å; H60-Y86 AromaticContact NE2-CD2 3.86Å; H60-Y86 AromaticContact NE2-CE2 3.63Å; I62-Y86 HydrophobicContact CD1-CD2 3.98Å; I62-Y86 HydrophobicContact CD1-CG 4.45Å; I82-Y86 VanDerWaalsContact O-CB 3.3Å; I82-Y86 WeakPolarHBondContact O-CB 3.39Å; I82-Y86 PolarHBondContact O-N 2.91Å; M83-Y86 HydrophobicContact CE-CD1 4.1Å; Y86-L88 VanDerWaalsContact C-N 3.31Å; Y86-L88 PolarHBondContact O-N 2.85Å; Y86-L89 PolarHBondContact O-N 3.2Å; Y86-K90 HydrophobicContact CD1-CG 4.16Å; Y86-K90 HydrophobicContact CE1-CD 4.28Å; Y86-K90 HydrophobicContact CE1-CG 3.8Å; Y86-K90 HydrophobicContact CE2-CD 4.34Å; Y86-K90 HydrophobicContact CE2-CG 4.32Å; Y86-K90 VanDerWaalsContact O-CG 3.28Å; Y86-K90 WeakPolarHBondContact O-CG 3.43Å; Y86-K90 PolarHBondContact O-N 3.41Å
87A90.1Very high89.1Confident10 Ų1032.6 Ų32.68%0.08317%0.173CC..Hα-helixtrans-61.6-38.4176.300000112.5M83 A84 N91M83-A87 WeakPolarHBondContact O-CB 3.3Å; M83-A87 PolarHBondContact O-N 3.4Å; A84-A87 PolarHBondContact O-N 3.05Å; A87-N91 PolarHBondContact O-N 3.05Å; A87-N91 PolarHBondContact O-ND2 3.4Å
88L89.6Confident88.7Confident23 Ų2335.5 Ų35.512%0.1219%0.194CC..Hα-helixtrans-62.7-53.317417662.1000111A84 M85 Y86 K90 N91 N92 P95 E99 I100 A103A84-L88 PolarHBondContact O-N 3.13Å; A84-L88 VanDerWaalsContact O-N 3.07Å; M85-L88 HydrophobicContact CE-CD2 4.31Å; M85-L88 PolarHBondContact O-N 2.87Å; M85-L88 HydrophobicContact SD-CD2 4.16Å; Y86-L88 VanDerWaalsContact C-N 3.31Å; Y86-L88 PolarHBondContact O-N 2.85Å; L88-K90 VanDerWaalsContact C-N 3.25Å; L88-K90 PolarHBondContact O-N 3.35Å; L88-N91 PolarHBondContact O-N 3.33Å; L88-N92 PolarHBondContact O-N 3.33Å; L88-P95 HydrophobicContact CD1-CB 4.33Å; L88-P95 HydrophobicContact CD2-CB 3.88Å; L88-P95 HydrophobicContact CD2-CG 4.09Å; L88-P95 HydrophobicContact CG-CB 4.14Å; L88-P95 HydrophobicContact CG-CG 4.4Å; L88-E99 HydrophobicContact CD1-CB 4.34Å; L88-I100 HydrophobicContact CD2-CB 4.34Å; L88-I100 HydrophobicContact CD2-CG1 3.79Å; L88-A103 HydrophobicContact CB-CB 4.03Å; L88-A103 HydrophobicContact CD1-CB 4.5Å; L88-A103 HydrophobicContact CD2-CB 3.85Å; L88-A103 HydrophobicContact CG-CB 4.35Å
89L87.7Confident88.3Confident9 Ų938.8 Ų38.85%0.04721%0.209CC..Hα-helixtrans-64.2-27.8-176.1-71.4175.3000113.6I62 M85 Y86 N92 S93 P95 F129 F184I62-L89 HydrophobicContact CD1-CD1 3.71Å; I62-L89 HydrophobicContact CG1-CD1 3.77Å; M85-L89 HydrophobicContact CE-CD1 3.83Å; M85-L89 HydrophobicContact CE-CD2 3.81Å; M85-L89 HydrophobicContact CE-CG 3.71Å; M85-L89 HydrophobicContact CG-CD1 4.07Å; M85-L89 HydrophobicContact CG-CG 4.42Å; M85-L89 WeakPolarHBondContact O-CG 3.45Å; M85-L89 PolarHBondContact O-N 3.16Å; Y86-L89 PolarHBondContact O-N 3.2Å; L89-N92 WeakPolarHBondContact CA-O 3.43Å; L89-N92 CarbonylContact O-C 3.49Å; L89-S93 PolarHBondContact O-N 3.37Å; L89-P95 HydrophobicContact CD2-CG 3.9Å; L89-F129 HydrophobicContact CD1-CD1 4.47Å; L89-F129 HydrophobicContact CD1-CD2 4.29Å; L89-F129 HydrophobicContact CD1-CG 4.19Å; L89-F129 HydrophobicContact CD2-CB 4.18Å; L89-F184 HydrophobicContact CD1-CD2 4.48Å; L89-F184 HydrophobicContact CD1-CE2 4.15Å
90K85.9Confident88.1Confident56 Ų5637.1 Ų37.124%0.24320%0.198CC..Hα-helixtrans-69.8-30.7172.8-71.8-68.8-68.6-168.40113.2H28 Y86 L88 D190H28-K90 HydrophobicContact CB-CB 4.24Å; Y86-K90 HydrophobicContact CD1-CG 4.16Å; Y86-K90 HydrophobicContact CE1-CD 4.28Å; Y86-K90 HydrophobicContact CE1-CG 3.8Å; Y86-K90 HydrophobicContact CE2-CD 4.34Å; Y86-K90 HydrophobicContact CE2-CG 4.32Å; Y86-K90 VanDerWaalsContact O-CG 3.28Å; Y86-K90 WeakPolarHBondContact O-CG 3.43Å; Y86-K90 PolarHBondContact O-N 3.41Å; L88-K90 VanDerWaalsContact C-N 3.25Å; L88-K90 PolarHBondContact O-N 3.35Å; K90-D190 PolarHBondContact NZ-O 2.8Å
91N84.2Confident87.8Confident96 Ų9637.3 Ų37.351%0.51320%0.195SC..Hα-helixtrans-89.3-38.2177.3-68.1-46.2000112.5H28 A87 L88H28-N91 PolarHBondContact N-OD1 3.07Å; H28-N91 PolarHBondContact O-ND2 3.5Å; A87-N91 PolarHBondContact O-N 3.05Å; A87-N91 PolarHBondContact O-ND2 3.4Å; L88-N91 PolarHBondContact O-N 3.33Å
92N85.6Confident87.3Confident51 Ų5139.3 Ų39.327%0.27321%0.206SC..  trans-136.5106.8177.5-176.6-0.4000109.4L88 L89 K94 P95 E99L88-N92 PolarHBondContact O-N 3.33Å; L89-N92 WeakPolarHBondContact CA-O 3.43Å; L89-N92 CarbonylContact O-C 3.49Å; N92-K94 PolarHBondContact O-N 2.99Å; N92-K94 VanDerWaalsContact OD1-C 3.31Å; N92-K94 PolarHBondContact OD1-N 3.22Å; N92-K94 PolarHBondContact OD1-O 3.36Å; N92-P95 WeakPolarHBondContact O-CD 3.35Å; N92-E99 PolarHBondContact ND2-OE1 2.98Å; N92-E99 PolarHBondContact ND2-OE2 2.96Å
93S82.3Confident86.9Confident72 Ų7239.8 Ų39.850%0.50321%0.209SC..SBendtrans-74.3-7.7-178.258.60000114.4L89L89-S93 PolarHBondContact O-N 3.37Å
94K83.4Confident86.5Confident145 Ų14537.9 Ų37.963%0.6320%0.2SC*.SBendtrans-138.368.2178.4-66.4-173.4180-177.20109.7N92 T131N92-K94 PolarHBondContact O-N 2.99Å; N92-K94 VanDerWaalsContact OD1-C 3.31Å; N92-K94 PolarHBondContact OD1-N 3.22Å; N92-K94 PolarHBondContact OD1-O 3.36Å; K94-T131 HydrophobicContact CB-CG2 3.71Å; K94-T131 WeakPolarHBondContact O-CG2 3.46Å
95P88Confident85.7Confident0 Ų038 Ų380%020%0.2CC..  trans-70.7157.2-176.830.7-35.1000112.5M85 L88 L89 N92 E99 I100 F129 S130 T131M85-P95 HydrophobicContact CE-CG 4.27Å; L88-P95 HydrophobicContact CD1-CB 4.33Å; L88-P95 HydrophobicContact CD2-CB 3.88Å; L88-P95 HydrophobicContact CD2-CG 4.09Å; L88-P95 HydrophobicContact CG-CB 4.14Å; L88-P95 HydrophobicContact CG-CG 4.4Å; L89-P95 HydrophobicContact CD2-CG 3.9Å; N92-P95 WeakPolarHBondContact O-CD 3.35Å; P95-E99 WeakPolarHBondContact CA-OE2 3.29Å; P95-E99 HydrophobicContact CB-CB 4.16Å; P95-I100 HydrophobicContact CB-CG1 4.18Å; P95-I100 HydrophobicContact CG-CD1 4.15Å; P95-I100 HydrophobicContact CG-CG1 3.99Å; P95-F129 WeakPolarHBondContact CD-O 3.17Å; P95-S130 CarbonylContact O-C 3.58Å; P95-S130 WeakPolarHBondContact O-CA 3.37Å; P95-T131 PolarHBondContact O-N 3.34Å
96E87.5Confident84.1Confident102 Ų10238.1 Ų38.148%0.47720%0.201SC..  trans-81.2162.6164.3-64.6-170.8168.100111S98 E99 I100E96-S98 PolarHBondContact O-N 2.65Å; E96-E99 HydrophobicContact CB-CG 4.43Å; E96-E99 PolarHBondContact N-OE2 3.48Å; E96-E99 PolarHBondContact O-N 3.03Å; E96-E99 VanDerWaalsContact O-N 3.13Å; E96-I100 PolarHBondContact O-N 2.83Å; E96-I100 VanDerWaalsContact O-N 3.15Å
97K85.4Confident82.7Confident8 Ų837.6 Ų37.64%0.03520%0.199CC..Hα-helixtrans-59.8-37.2177.9-67.6-170.5-171.9129.30111.7E99 I100 D101 Y127 E132 E136K97-E99 VanDerWaalsContact C-N 3.32Å; K97-E99 PolarHBondContact O-N 3.17Å; K97-I100 WeakPolarHBondContact O-CB 3.36Å; K97-I100 PolarHBondContact O-N 3.41Å; K97-D101 PolarHBondContact O-N 3.44Å; K97-Y127 HydrophobicContact CB-CD1 3.89Å; K97-Y127 HydrophobicContact CB-CE1 3.78Å; K97-Y127 HydrophobicContact CD-CD1 3.98Å; K97-Y127 HydrophobicContact CD-CD2 4.42Å; K97-Y127 HydrophobicContact CD-CE1 4.26Å; K97-Y127 HydrophobicContact CD-CG 4.06Å; K97-Y127 HydrophobicContact CG-CD1 3.6Å; K97-Y127 HydrophobicContact CG-CE1 3.99Å; K97-Y127 HydrophobicContact CG-CG 4.1Å; K97-E132 VanDerWaalsContact CD-OE2 3.22Å; K97-E132 WeakPolarHBondContact CD-OE2 3.17Å; K97-E132 VanDerWaalsContact CE-OE2 3.27Å; K97-E132 WeakPolarHBondContact CE-OE2 3.31Å; K97-E132 IonicContact NZ-OE2 3.94Å; K97-E132 PolarHBondContact NZ-OE2 2.76Å; K97-E136 IonicContact NZ-OE1 2.77Å; K97-E136 PolarHBondContact NZ-OE1 2.84Å
98S83.4Confident81Confident67 Ų6737.2 Ų37.247%0.46920%0.195SC..Hα-helixtrans-60.4-38.2175.960.60000112.8E96 D101 L102E96-S98 PolarHBondContact O-N 2.65Å; S98-D101 PolarHBondContact O-N 2.88Å; S98-L102 WeakPolarHBondContact O-CB 3.39Å; S98-L102 PolarHBondContact O-N 3.4Å
99E85.6Confident78.9Confident69 Ų6940.5 Ų40.532%0.32221%0.206SC..Hα-helixtrans-70.8-36.6176.7-65.1-177.9114.300111.8L88 N92 P95 E96 K97 L102 A103L88-E99 HydrophobicContact CD1-CB 4.34Å; N92-E99 PolarHBondContact ND2-OE1 2.98Å; N92-E99 PolarHBondContact ND2-OE2 2.96Å; P95-E99 WeakPolarHBondContact CA-OE2 3.29Å; P95-E99 HydrophobicContact CB-CB 4.16Å; E96-E99 HydrophobicContact CB-CG 4.43Å; E96-E99 PolarHBondContact N-OE2 3.48Å; E96-E99 PolarHBondContact O-N 3.03Å; E96-E99 VanDerWaalsContact O-N 3.13Å; K97-E99 VanDerWaalsContact C-N 3.32Å; K97-E99 PolarHBondContact O-N 3.17Å; E99-L102 PolarHBondContact O-N 3.08Å; E99-A103 WeakPolarHBondContact O-CB 3.46Å; E99-A103 PolarHBondContact O-N 2.83Å
100I88.5Confident76.7Confident0 Ų042.9 Ų42.90%022%0.219CC..Hα-helixtrans-61.9-52.2172.4-64.7168.9000109.4M85 L88 P95 E96 K97 L102 A103 L104 F126 Y127M85-I100 HydrophobicContact CE-CD1 4.06Å; M85-I100 HydrophobicContact CE-CG1 3.95Å; M85-I100 HydrophobicContact SD-CG1 4.29Å; M85-I100 HydrophobicContact SD-CG2 4.23Å; L88-I100 HydrophobicContact CD2-CB 4.34Å; L88-I100 HydrophobicContact CD2-CG1 3.79Å; P95-I100 HydrophobicContact CB-CG1 4.18Å; P95-I100 HydrophobicContact CG-CD1 4.15Å; P95-I100 HydrophobicContact CG-CG1 3.99Å; E96-I100 PolarHBondContact O-N 2.83Å; E96-I100 VanDerWaalsContact O-N 3.15Å; K97-I100 WeakPolarHBondContact O-CB 3.36Å; K97-I100 PolarHBondContact O-N 3.41Å; I100-L102 PolarHBondContact O-N 2.82Å; I100-A103 PolarHBondContact O-N 3.07Å; I100-A103 VanDerWaalsContact O-N 3.1Å; I100-L104 HydrophobicContact CG2-CD1 3.89Å; I100-L104 HydrophobicContact CG2-CG 4.34Å; I100-L104 WeakPolarHBondContact O-CB 3.48Å; I100-L104 VanDerWaalsContact O-CG 3.25Å; I100-L104 WeakPolarHBondContact O-CG 3.49Å; I100-L104 PolarHBondContact O-N 3.44Å; I100-F126 WeakPolarHBondContact CD1-O 3.38Å; I100-F126 HydrophobicContact CG2-CB 3.97Å; I100-Y127 HydrophobicContact CB-CD1 4.43Å; I100-Y127 HydrophobicContact CB-CE1 4.34Å; I100-Y127 HydrophobicContact CD1-CD1 4.04Å; I100-Y127 HydrophobicContact CG2-CD1 4.26Å; I100-Y127 HydrophobicContact CG2-CE1 4.17Å
101D84.4Confident74.5Confident22 Ų2240.2 Ų40.212%0.11821%0.207CC..Hα-helixtrans-56.6-40.4179.1-68.8-16.6000111.9K97 S98 Q105 R108 Y127K97-D101 PolarHBondContact O-N 3.44Å; S98-D101 PolarHBondContact O-N 2.88Å; D101-Q105 PolarHBondContact O-N 3.38Å; D101-R108 PolarHBondContact O-NH2 3.29Å; D101-Y127 WeakPolarHBondContact OD1-CE1 3.37Å; D101-Y127 PolarHBondContact OD1-OH 3.28Å; D101-Y127 PolarHBondContact OD2-OH 2.74Å
102L81.9Confident72.2Confident44 Ų4436 Ų3623%0.2319%0.185CC..Hα-helixtrans-67.2-43.5176.8-168.477.9000112.3S98 E99 I100 L104 Q105 T299S98-L102 WeakPolarHBondContact O-CB 3.39Å; S98-L102 PolarHBondContact O-N 3.4Å; E99-L102 PolarHBondContact O-N 3.08Å; I100-L102 PolarHBondContact O-N 2.82Å; L102-L104 VanDerWaalsContact C-N 3.29Å; L102-L104 PolarHBondContact O-N 2.98Å; L102-Q105 WeakPolarHBondContact O-CB 3.47Å; L102-Q105 PolarHBondContact O-N 2.87Å; L102-Q105 VanDerWaalsContact O-N 3.15Å; L102-T299 HydrophobicContact CD1-CG2 3.58Å
103A84.8Confident70Confident9 Ų933.7 Ų33.77%0.07417%0.173CC..Hα-helixtrans-63-40.9178.100000111.1L88 E99 I100 Q105 G106L88-A103 HydrophobicContact CB-CB 4.03Å; L88-A103 HydrophobicContact CD1-CB 4.5Å; L88-A103 HydrophobicContact CD2-CB 3.85Å; L88-A103 HydrophobicContact CG-CB 4.35Å; E99-A103 WeakPolarHBondContact O-CB 3.46Å; E99-A103 PolarHBondContact O-N 2.83Å; I100-A103 PolarHBondContact O-N 3.07Å; I100-A103 VanDerWaalsContact O-N 3.1Å; A103-Q105 PolarHBondContact O-N 3.36Å; A103-G106 PolarHBondContact O-N 2.94Å
104L84.7Confident68.4Low0 Ų030.4 Ų30.40%015%0.149CC..Hα-helixtrans-70.2-15.1177.2-62.5-178.2000112.8F81 A84 I100 L102 G106 C107 R108 Q111 L123 F126F81-L104 HydrophobicContact CD1-CD2 3.91Å; A84-L104 HydrophobicContact CB-CD2 4.37Å; I100-L104 HydrophobicContact CG2-CD1 3.89Å; I100-L104 HydrophobicContact CG2-CG 4.34Å; I100-L104 WeakPolarHBondContact O-CB 3.48Å; I100-L104 VanDerWaalsContact O-CG 3.25Å; I100-L104 WeakPolarHBondContact O-CG 3.49Å; I100-L104 PolarHBondContact O-N 3.44Å; L102-L104 VanDerWaalsContact C-N 3.29Å; L102-L104 PolarHBondContact O-N 2.98Å; L104-G106 PolarHBondContact O-N 2.95Å; L104-C107 WeakPolarHBondContact O-CB 3.28Å; L104-C107 PolarHBondContact O-N 3.33Å; L104-C107 VanDerWaalsContact O-N 3.14Å; L104-R108 PolarHBondContact O-N 2.85Å; L104-Q111 PolarHBondContact O-NE2 3.06Å; L104-L123 HydrophobicContact CD1-CD2 3.76Å; L104-F126 HydrophobicContact CD1-CD2 3.88Å; L104-F126 HydrophobicContact CD1-CE2 4.46Å; L104-F126 HydrophobicContact CD2-CD2 4.1Å; L104-F126 HydrophobicContact CD2-CE2 4Å
105Q73.2Confident67Low5 Ų523.6 Ų23.62%0.02312%0.12CC..Hα-helixtrans-57.3-34.4169.1-68178.7-16.200113.1D101 L102 A103 C107 R108 T299 G303 E392D101-Q105 PolarHBondContact O-N 3.38Å; L102-Q105 WeakPolarHBondContact O-CB 3.47Å; L102-Q105 PolarHBondContact O-N 2.87Å; L102-Q105 VanDerWaalsContact O-N 3.15Å; A103-Q105 PolarHBondContact O-N 3.36Å; Q105-C107 VanDerWaalsContact C-N 3.3Å; Q105-R108 WeakPolarHBondContact O-CA 3.4Å; Q105-R108 WeakPolarHBondContact O-CB 3.15Å; Q105-R108 WeakPolarHBondContact O-CG 3.44Å; Q105-R108 PolarHBondContact O-N 2.9Å; Q105-T299 PolarHBondContact NE2-O 3.18Å; Q105-T299 VanDerWaalsContact NE2-O 3.16Å; Q105-T299 PolarHBondContact OE1-O 3.46Å; Q105-G303 VanDerWaalsContact O-CA 3.23Å; Q105-G303 WeakPolarHBondContact O-CA 3.29Å; Q105-E392 VanDerWaalsContact CG-OE2 3.29Å; Q105-E392 WeakPolarHBondContact CG-OE2 3.15Å; Q105-E392 VanDerWaalsContact NE2-CD 3.29Å; Q105-E392 PolarHBondContact NE2-OE2 3.11Å
106G58.5Low66.7Low1 Ų123.8 Ų23.81%0.0112%0.121CC..Hα-helixtrans-68-36.217900000112.2A103 L104 R108 K304 H305A103-G106 PolarHBondContact O-N 2.94Å; L104-G106 PolarHBondContact O-N 2.95Å; G106-R108 PolarHBondContact O-N 2.65Å; G106-K304 VanDerWaalsContact CA-N 3.3Å; G106-H305 VanDerWaalsContact C-ND1 3.29Å; G106-H305 VanDerWaalsContact CA-CD2 3.47Å; G106-H305 WeakPolarHBondContact CA-CD2 3.23Å; G106-H305 PolarHBondContact O-ND1 3.4Å; G106-H305 VanDerWaalsContact O-ND1 3.1Å
107C62.4Low66.6Low0 Ų019 Ų190%010%0.099CC..Hα-helixtrans-61.2-18.1166.4-63.30000110.7G80 F81 A84 L104 Q105 R109 L110 Q111 H305G80-C107 PolarHBondContact O-SG 2.86Å; F81-C107 HydrophobicContact CD1-CB 4.44Å; A84-C107 WeakPolarHBondContact CB-SG 3.4Å; L104-C107 WeakPolarHBondContact O-CB 3.28Å; L104-C107 PolarHBondContact O-N 3.33Å; L104-C107 VanDerWaalsContact O-N 3.14Å; Q105-C107 VanDerWaalsContact C-N 3.3Å; C107-R109 VanDerWaalsContact C-N 3.3Å; C107-R109 PolarHBondContact O-N 3.04Å; C107-R109 VanDerWaalsContact O-N 3.15Å; C107-L110 CarbonylContact O-C 3.51Å; C107-L110 WeakPolarHBondContact O-CA 3.43Å; C107-L110 WeakPolarHBondContact O-CB 3.48Å; C107-L110 PolarHBondContact O-N 3.23Å; C107-Q111 HydrophobicContact CB-CG 3.71Å; C107-Q111 VanDerWaalsContact O-CG 3.31Å; C107-Q111 WeakPolarHBondContact O-CG 3.36Å; C107-Q111 PolarHBondContact O-N 2.96Å; C107-H305 PolarHBondContact N-CE1 2.83Å
108R54.3Low66.6Low2 Ų218.6 Ų18.61%0.00810%0.097CC..THydrogen-bonded Turntrans-60.8-26.7-171.5-71.4171.6-163.7-167.321.6117D101 L104 Q105 G106 L110 Q111 E392 D393 T1215 N1216D101-R108 PolarHBondContact O-NH2 3.29Å; L104-R108 PolarHBondContact O-N 2.85Å; Q105-R108 WeakPolarHBondContact O-CA 3.4Å; Q105-R108 WeakPolarHBondContact O-CB 3.15Å; Q105-R108 WeakPolarHBondContact O-CG 3.44Å; Q105-R108 PolarHBondContact O-N 2.9Å; G106-R108 PolarHBondContact O-N 2.65Å; R108-L110 VanDerWaalsContact C-N 3.25Å; R108-L110 PolarHBondContact O-N 2.8Å; R108-Q111 HydrophobicContact CB-CB 4.5Å; R108-Q111 HydrophobicContact CG-CB 4.32Å; R108-Q111 HydrophobicContact CG-CG 4.27Å; R108-Q111 PolarHBondContact O-N 2.93Å; R108-E392 IonicContact CZ-OE2 3.31Å; R108-E392 VanDerWaalsContact NH1-CD 3.32Å; R108-E392 IonicContact NH1-OE1 3.41Å; R108-E392 IonicContact NH1-OE2 3.93Å; R108-E392 PolarHBondContact NH1-OE2 3.2Å; R108-E392 IonicContact NH2-OE2 2.58Å; R108-E392 PolarHBondContact NH2-OE2 3.19Å; R108-D393 VanDerWaalsContact C-OD2 3.29Å; R108-D393 HydrophobicContact CB-CB 3.85Å; R108-T1215 PolarHBondContact NE-OG1 3.19Å; R108-T1215 PolarHBondContact NH2-OG1 3.3Å; R108-T1215 VanDerWaalsContact NH2-OG1 3.09Å; R108-N1216 VanDerWaalsContact NH1-CB 3.28Å; R108-N1216 PolarHBondContact NH1-ND2 2.9Å; R108-N1216 PolarHBondContact NH2-ND2 3.43Å; R108-N1216 PolarHBondContact NH2-OD1 2.95Å; R108-N1216 VanDerWaalsContact NH2-OD1 3.11Å
109R45.7Very low66.8Low93 Ų9315.5 Ų15.535%0.3518%0.075SC..THydrogen-bonded Turntrans-66.7-30.3165.9-74.1-165.1177.7-174.9-2.2112.3C107 I306 D393C107-R109 VanDerWaalsContact C-N 3.3Å; C107-R109 PolarHBondContact O-N 3.04Å; C107-R109 VanDerWaalsContact O-N 3.15Å; R109-I306 VanDerWaalsContact NH1-CD1 3.26Å; R109-D393 WeakPolarHBondContact CG-OD2 3.15Å; R109-D393 PolarHBondContact N-OD2 2.96Å; R109-D393 IonicContact NE-OD1 3.47Å
110L40.2Very low66.9Low59 Ų5913.1 Ų13.131%0.3096%0.063SC..THydrogen-bonded Turntrans-96-2.9169.9-57.6165.2000113.6C107 R108 A112 F710C107-L110 CarbonylContact O-C 3.51Å; C107-L110 WeakPolarHBondContact O-CA 3.43Å; C107-L110 WeakPolarHBondContact O-CB 3.48Å; C107-L110 PolarHBondContact O-N 3.23Å; R108-L110 VanDerWaalsContact C-N 3.25Å; R108-L110 PolarHBondContact O-N 2.8Å; L110-A112 PolarHBondContact O-N 2.81Å; L110-F710 HydrophobicContact CB-CE2 4.49Å; L110-F710 HydrophobicContact CB-CZ 3.87Å; L110-F710 HydrophobicContact CD2-CE1 4.23Å; L110-F710 HydrophobicContact CD2-CZ 3.76Å; L110-F710 HydrophobicContact CG-CZ 4.46Å; L110-F710 WeakPolarHBondContact O-CE2 2.61Å; L110-F710 VanDerWaalsContact O-CZ 3.27Å; L110-F710 WeakPolarHBondContact O-CZ 3.3Å
111Q39.9Very low66.8Low0 Ų013.3 Ų13.30%07%0.065CC..THydrogen-bonded Turntrans-95.430.7173.8-61.7179.3-10.600108.3F81 L104 C107 R108 F113 Y119 T1215F81-Q111 HydrophobicContact CE1-CG 3.79Å; F81-Q111 HydrophobicContact CE2-CG 4.18Å; F81-Q111 HydrophobicContact CZ-CB 4.37Å; F81-Q111 HydrophobicContact CZ-CG 3.45Å; F81-Q111 VanDerWaalsContact CZ-CG 3.45Å; L104-Q111 PolarHBondContact O-NE2 3.06Å; C107-Q111 HydrophobicContact CB-CG 3.71Å; C107-Q111 VanDerWaalsContact O-CG 3.31Å; C107-Q111 WeakPolarHBondContact O-CG 3.36Å; C107-Q111 PolarHBondContact O-N 2.96Å; R108-Q111 HydrophobicContact CB-CB 4.5Å; R108-Q111 HydrophobicContact CG-CB 4.32Å; R108-Q111 HydrophobicContact CG-CG 4.27Å; R108-Q111 PolarHBondContact O-N 2.93Å; Q111-F113 PolarHBondContact O-N 2.93Å; Q111-Y119 HydrophobicContact CB-CE1 3.84Å; Q111-Y119 HydrophobicContact CG-CE1 4.31Å; Q111-Y119 PolarHBondContact O-OH 2.79Å; Q111-T1215 VanDerWaalsContact OE1-CG2 3.23Å
112A36Very low67Low7 Ų712.2 Ų12.26%0.0586%0.059CC..THydrogen-bonded Turntrans-65.9-18.617000000111.1L110 F708 F710 I1212L110-A112 PolarHBondContact O-N 2.81Å; A112-F708 HydrophobicContact CB-CD1 4.29Å; A112-F708 HydrophobicContact CB-CE1 3.64Å; A112-F708 HydrophobicContact CB-CZ 4.36Å; A112-F710 HydrophobicContact CB-CE2 4.12Å; A112-I1212 WeakPolarHBondContact O-CD1 3.34Å; A112-I1212 WeakPolarHBondContact O-CG1 3.45Å
113F40.1Very low67.3Low3 Ų310.2 Ų10.21%0.0135%0.048CC..  trans-146.179.4-175-72.1-85.1000115.5Q111 M115 H707 F708 F710 F763 I1212Q111-F113 PolarHBondContact O-N 2.93Å; F113-M115 HydrophobicContact CD1-CB 4.24Å; F113-M115 HydrophobicContact CD1-CG 3.59Å; F113-M115 HydrophobicContact CE1-CE 3.99Å; F113-M115 HydrophobicContact CE1-CG 3.55Å; F113-M115 HydrophobicContact CE1-SD 4.5Å; F113-H707 WeakPolarHBondContact CE1-O 3.24Å; F113-F708 HydrophobicContact CD2-CD1 4.3Å; F113-F708 WeakPolarHBondContact CD2-O 3.35Å; F113-F708 HydrophobicContact CE1-CB 3.6Å; F113-F708 HydrophobicContact CE1-CD1 4.28Å; F113-F708 HydrophobicContact CE1-CG 4.24Å; F113-F708 VanDerWaalsContact CE1-O 3.3Å; F113-F708 WeakPolarHBondContact CE1-O 3.34Å; F113-F708 HydrophobicContact CE2-CB 3.56Å; F113-F708 AromaticContact CE2-CD1 2.94Å; F113-F708 HydrophobicContact CE2-CD1 2.94Å; F113-F708 HydrophobicContact CE2-CD2 4.27Å; F113-F708 AromaticContact CE2-CE1 3.55Å; F113-F708 HydrophobicContact CE2-CE1 3.55Å; F113-F708 AromaticContact CE2-CG 3.25Å; F113-F708 HydrophobicContact CE2-CG 3.25Å; F113-F708 HydrophobicContact CE2-CZ 4.43Å; F113-F708 WeakPolarHBondContact CE2-O 2.91Å; F113-F708 WeakPolarHBondContact CG-O 3.21Å; F113-F708 HydrophobicContact CZ-CB 2.93Å; F113-F708 AromaticContact CZ-CD1 2.97Å; F113-F708 HydrophobicContact CZ-CD1 2.97Å; F113-F708 HydrophobicContact CZ-CD2 4.41Å; F113-F708 HydrophobicContact CZ-CE1 4Å; F113-F708 AromaticContact CZ-CG 3.13Å; F113-F708 HydrophobicContact CZ-CG 3.13Å; F113-F708 WeakPolarHBondContact CZ-O 3.5Å; F113-F710 HydrophobicContact CB-CB 4.18Å; F113-F710 HydrophobicContact CB-CD2 3.81Å; F113-F710 HydrophobicContact CB-CG 4.5Å; F113-F710 HydrophobicContact CD2-CB 4.34Å; F113-F710 AromaticContact CD2-CD2 3.69Å; F113-F710 HydrophobicContact CD2-CD2 3.69Å; F113-F710 HydrophobicContact CD2-CE2 4.47Å; F113-F710 HydrophobicContact CD2-CG 4.43Å; F113-F710 HydrophobicContact CG-CB 4.34Å; F113-F710 HydrophobicContact CG-CD2 4.13Å; F113-F763 AromaticContact CD1-CE2 4Å; F113-F763 HydrophobicContact CD1-CE2 4Å; F113-I1212 HydrophobicContact CZ-CG2 4.3Å
114E48.1Very low67.2Low2 Ų210.8 Ų10.81%0.0095%0.05CC..  trans-110.145.4143.1-67.1-163.5122.700112.4C116 T117 G118 Y119 I122E114-C116 PolarHBondContact O-N 3.17Å; E114-T117 HydrophobicContact CG-CG2 4.48Å; E114-T117 PolarHBondContact O-N 2.86Å; E114-T117 WeakPolarHBondContact OE1-CB 3.27Å; E114-T117 WeakPolarHBondContact OE1-CG2 3.45Å; E114-T117 PolarHBondContact OE1-OG1 2.79Å; E114-T117 PolarHBondContact OE2-OG1 2.88Å; E114-G118 WeakPolarHBondContact O-CA 3.43Å; E114-G118 PolarHBondContact O-N 3.44Å; E114-Y119 HydrophobicContact CB-CD1 3.98Å; E114-Y119 HydrophobicContact CB-CE1 3.79Å; E114-Y119 HydrophobicContact CB-CE2 4.35Å; E114-Y119 HydrophobicContact CB-CG 4.34Å; E114-Y119 HydrophobicContact CG-CD1 4.27Å; E114-Y119 HydrophobicContact CG-CE1 4.11Å; E114-Y119 PolarHBondContact N-OH 2.85Å; E114-Y119 WeakPolarHBondContact OE2-CA 3.33Å; E114-Y119 WeakPolarHBondContact OE2-CD1 3.45Å; E114-Y119 PolarHBondContact OE2-N 3.1Å; E114-I122 WeakPolarHBondContact OE1-CD1 3.33Å; E114-I122 WeakPolarHBondContact OE2-CD1 3.39Å
115M54.5Low67.3Low3 Ų310.8 Ų10.82%0.0155%0.05CC..THydrogen-bonded Turntrans-51.3-19.6147.3-55.8-89.4-110.600111.2F113 F763 F885 R886 G1180 Q1184F113-M115 HydrophobicContact CD1-CB 4.24Å; F113-M115 HydrophobicContact CD1-CG 3.59Å; F113-M115 HydrophobicContact CE1-CE 3.99Å; F113-M115 HydrophobicContact CE1-CG 3.55Å; F113-M115 HydrophobicContact CE1-SD 4.5Å; M115-F763 HydrophobicContact CB-CD1 4.43Å; M115-F763 HydrophobicContact CB-CE1 3.73Å; M115-F763 HydrophobicContact CB-CE2 4.03Å; M115-F763 HydrophobicContact CB-CZ 3.51Å; M115-F763 HydrophobicContact CG-CZ 4.45Å; M115-F885 HydrophobicContact CE-CE1 4.39Å; M115-F885 HydrophobicContact CE-CZ 3.81Å; M115-R886 PolarHBondContact O-NH1 2.88Å; M115-G1180 CarbonylContact O-C 3.19Å; M115-G1180 VanDerWaalsContact O-CA 3.25Å; M115-G1180 WeakPolarHBondContact O-CA 3.3Å; M115-Q1184 HydrophobicContact CB-CB 4.29Å; M115-Q1184 HydrophobicContact CE-CB 4.34Å; M115-Q1184 HydrophobicContact CE-CG 3.56Å; M115-Q1184 HydrophobicContact CG-CB 4.38Å; M115-Q1184 HydrophobicContact CG-CG 4.46Å; M115-Q1184 VanDerWaalsContact SD-CA 3.52Å; M115-Q1184 HydrophobicContact SD-CB 3.25Å; M115-Q1184 WeakPolarHBondContact SD-CB 3.36Å; M115-Q1184 HydrophobicContact SD-CG 3.15Å; M115-Q1184 WeakPolarHBondContact SD-CG 3.43Å
116C82.4Confident68.1Low4 Ų410.6 Ų10.63%0.0275%0.049CC..THydrogen-bonded Turntrans-75.1-74.4167.9-63.50000113Q73 E114 G1180Q73-C116 HydrophobicContact CB-CB 3.66Å; Q73-C116 HydrophobicContact CG-CB 4.29Å; Q73-C116 PolarHBondContact NE2-O 2.95Å; Q73-C116 VanDerWaalsContact OE1-CA 3.22Å; Q73-C116 VanDerWaalsContact OE1-CB 3.28Å; Q73-C116 PolarHBondContact OE1-O 3.32Å; E114-C116 PolarHBondContact O-N 3.17Å; C116-G1180 WeakPolarHBondContact O-CA 3.48Å
117T85.8Confident69.4Low1 Ų110.8 Ų10.81%0.0065%0.05CC..THydrogen-bonded Turntrans-95.4-17.2-168.781.60000115.6Q73 E114 Y119 E1179Q73-T117 HydrophobicContact CB-CG2 4.14Å; Q73-T117 HydrophobicContact CG-CG2 3.91Å; E114-T117 HydrophobicContact CG-CG2 4.48Å; E114-T117 PolarHBondContact O-N 2.86Å; E114-T117 WeakPolarHBondContact OE1-CB 3.27Å; E114-T117 WeakPolarHBondContact OE1-CG2 3.45Å; E114-T117 PolarHBondContact OE1-OG1 2.79Å; E114-T117 PolarHBondContact OE2-OG1 2.88Å; T117-Y119 VanDerWaalsContact C-N 3.32Å; T117-Y119 PolarHBondContact OG1-N 2.99Å; T117-Y119 VanDerWaalsContact OG1-N 3.15Å; T117-E1179 VanDerWaalsContact O-CB 3.29Å; T117-E1179 WeakPolarHBondContact O-CB 3.44Å
118G84.8Confident70.5Confident0 Ų011.4 Ų11.40%05%0.053CC..  trans69.721.5-171.500000115E114 R120E114-G118 WeakPolarHBondContact O-CA 3.43Å; E114-G118 PolarHBondContact O-N 3.44Å; G118-R120 PolarHBondContact O-N 3.33Å
119Y87.2Confident72Confident1 Ų111.7 Ų11.70%0.0046%0.055CC..SBendtrans66.5-24.7176.9-51.8-74000117F81 Q111 E114 T117 S121 I122 L123 V1183 P1213 T1215 I1218F81-Y119 HydrophobicContact CZ-CD1 4.2Å; F81-Y119 HydrophobicContact CZ-CE1 4.27Å; Q111-Y119 HydrophobicContact CB-CE1 3.84Å; Q111-Y119 HydrophobicContact CG-CE1 4.31Å; Q111-Y119 PolarHBondContact O-OH 2.79Å; E114-Y119 HydrophobicContact CB-CD1 3.98Å; E114-Y119 HydrophobicContact CB-CE1 3.79Å; E114-Y119 HydrophobicContact CB-CE2 4.35Å; E114-Y119 HydrophobicContact CB-CG 4.34Å; E114-Y119 HydrophobicContact CG-CD1 4.27Å; E114-Y119 HydrophobicContact CG-CE1 4.11Å; E114-Y119 PolarHBondContact N-OH 2.85Å; E114-Y119 WeakPolarHBondContact OE2-CA 3.33Å; E114-Y119 WeakPolarHBondContact OE2-CD1 3.45Å; E114-Y119 PolarHBondContact OE2-N 3.1Å; T117-Y119 VanDerWaalsContact C-N 3.32Å; T117-Y119 PolarHBondContact OG1-N 2.99Å; T117-Y119 VanDerWaalsContact OG1-N 3.15Å; Y119-S121 PolarHBondContact O-N 2.81Å; Y119-I122 PolarHBondContact O-N 3.12Å; Y119-I122 VanDerWaalsContact O-N 3.16Å; Y119-L123 WeakPolarHBondContact O-CG 3.32Å; Y119-L123 PolarHBondContact O-N 2.82Å; Y119-V1183 HydrophobicContact CE2-CG1 4.27Å; Y119-P1213 WeakPolarHBondContact CE2-O 3.06Å; Y119-P1213 PolarHBondContact OH-O 3.07Å; Y119-T1215 HydrophobicContact CD1-CG2 3.59Å; Y119-T1215 HydrophobicContact CE1-CG2 4.3Å; Y119-T1215 HydrophobicContact CG-CG2 3.82Å; Y119-I1218 HydrophobicContact CD2-CG2 3.51Å; Y119-I1218 HydrophobicContact CE2-CG2 4.35Å; Y119-I1218 HydrophobicContact CG-CG2 4.32Å
120R87Confident73.8Confident19 Ų197.4 Ų7.47%0.0724%0.039CC..Hα-helixtrans-56.8-47.2-173.5-169.3-82.5-65.2162.81.3112.3G118 I122 L123 N124 I1175 E1179G118-R120 PolarHBondContact O-N 3.33Å; R120-I122 VanDerWaalsContact C-N 3.34Å; R120-I122 PolarHBondContact O-N 3.16Å; R120-L123 PolarHBondContact O-N 3.28Å; R120-N124 VanDerWaalsContact CD-ND2 3.26Å; R120-N124 WeakPolarHBondContact CD-ND2 3.44Å; R120-N124 WeakPolarHBondContact O-CB 3.34Å; R120-N124 VanDerWaalsContact O-CG 3.25Å; R120-N124 PolarHBondContact O-N 3.25Å; R120-N124 PolarHBondContact O-OD1 3.22Å; R120-I1175 VanDerWaalsContact NH2-CG2 3.34Å; R120-E1179 IonicContact CZ-OE1 2.78Å; R120-E1179 IonicContact CZ-OE2 2.92Å; R120-E1179 IonicContact NE-OE1 3.48Å; R120-E1179 PolarHBondContact NE-OE1 3.28Å; R120-E1179 IonicContact NE-OE2 3.71Å; R120-E1179 IonicContact NH2-OE1 3.25Å; R120-E1179 PolarHBondContact NH2-OE1 3.19Å; R120-E1179 IonicContact NH2-OE2 2.89Å; R120-E1179 PolarHBondContact NH2-OE2 3.24Å
121S86.5Confident75.5Confident4 Ų46.2 Ų6.23%0.0284%0.035CC..Hα-helixtrans-65.7-35.8-179.755.40000112.8Y69 H70 G71 Y119 A125Y69-S121 WeakPolarHBondContact O-CB 3.38Å; H70-S121 PolarHBondContact O-OG 3.22Å; H70-S121 VanDerWaalsContact O-OG 3.06Å; G71-S121 WeakPolarHBondContact CA-OG 3.15Å; Y119-S121 PolarHBondContact O-N 2.81Å; S121-A125 VanDerWaalsContact O-CB 3.27Å; S121-A125 WeakPolarHBondContact O-CB 3.45Å; S121-A125 PolarHBondContact O-N 3.29Å
122I89.3Confident77Confident0 Ų08.7 Ų8.70%05%0.046CC..Hα-helixtrans-66.1-49.7174.6-60.5-158.9000111.1L66 F81 E114 Y119 R120 N124 A125 F126L66-I122 HydrophobicContact CD1-CB 4.18Å; L66-I122 HydrophobicContact CD1-CD1 4.48Å; L66-I122 HydrophobicContact CD1-CG1 3.98Å; L66-I122 HydrophobicContact CD1-CG2 4.02Å; F81-I122 HydrophobicContact CD1-CD1 4.16Å; F81-I122 HydrophobicContact CD1-CG2 3.79Å; F81-I122 HydrophobicContact CD2-CD1 3.82Å; F81-I122 HydrophobicContact CE1-CD1 4.03Å; F81-I122 HydrophobicContact CE1-CG2 3.94Å; F81-I122 HydrophobicContact CE2-CD1 3.72Å; F81-I122 HydrophobicContact CG-CD1 4.02Å; F81-I122 HydrophobicContact CG-CG2 4.35Å; F81-I122 HydrophobicContact CZ-CD1 3.79Å; E114-I122 WeakPolarHBondContact OE1-CD1 3.33Å; E114-I122 WeakPolarHBondContact OE2-CD1 3.39Å; Y119-I122 PolarHBondContact O-N 3.12Å; Y119-I122 VanDerWaalsContact O-N 3.16Å; R120-I122 VanDerWaalsContact C-N 3.34Å; R120-I122 PolarHBondContact O-N 3.16Å; I122-N124 PolarHBondContact O-N 3.48Å; I122-A125 WeakPolarHBondContact O-CB 3.41Å; I122-A125 PolarHBondContact O-N 2.91Å; I122-F126 HydrophobicContact CG2-CD2 3.59Å; I122-F126 HydrophobicContact CG2-CE2 3.35Å; I122-F126 HydrophobicContact CG2-CZ 4.13Å; I122-F126 PolarHBondContact O-N 3.37Å
123L87.7Confident78.3Confident2 Ų29.1 Ų9.11%0.015%0.049CC..Hα-helixtrans-61.3-46.9-179.5-70.3177.3000110.8L104 Y119 R120 A125 F126 Y127 Y505 T1215 I1218L104-L123 HydrophobicContact CD1-CD2 3.76Å; Y119-L123 WeakPolarHBondContact O-CG 3.32Å; Y119-L123 PolarHBondContact O-N 2.82Å; R120-L123 PolarHBondContact O-N 3.28Å; L123-A125 VanDerWaalsContact C-N 3.29Å; L123-A125 PolarHBondContact O-N 2.75Å; L123-F126 PolarHBondContact O-N 3.47Å; L123-F126 VanDerWaalsContact O-N 3.14Å; L123-Y127 HydrophobicContact CB-CD2 4.26Å; L123-Y127 HydrophobicContact CB-CE2 3.66Å; L123-Y127 WeakPolarHBondContact O-CB 3.48Å; L123-Y127 WeakPolarHBondContact O-CD2 3.36Å; L123-Y127 PolarHBondContact O-N 2.96Å; L123-Y505 HydrophobicContact CB-CE1 4.33Å; L123-Y505 HydrophobicContact CD1-CD1 4.48Å; L123-Y505 HydrophobicContact CD1-CE1 4.1Å; L123-T1215 HydrophobicContact CD2-CG2 4.25Å; L123-I1218 HydrophobicContact CD1-CD1 3.66Å
124N83.3Confident79Confident21 Ų2111 Ų1111%0.1126%0.064CC..Hα-helixtrans-58.4-42.2175.3-72.212.4000111.8Y69 R120 I122 T128 P507Y69-N124 HydrophobicContact CD1-CB 4.3Å; R120-N124 VanDerWaalsContact CD-ND2 3.26Å; R120-N124 WeakPolarHBondContact CD-ND2 3.44Å; R120-N124 WeakPolarHBondContact O-CB 3.34Å; R120-N124 VanDerWaalsContact O-CG 3.25Å; R120-N124 PolarHBondContact O-N 3.25Å; R120-N124 PolarHBondContact O-OD1 3.22Å; I122-N124 PolarHBondContact O-N 3.48Å; N124-T128 WeakPolarHBondContact O-CG2 3.37Å; N124-P507 VanDerWaalsContact OD1-CB 3.28Å; N124-P507 WeakPolarHBondContact OD1-CB 3.3Å; N124-P507 WeakPolarHBondContact OD1-CG 3.32Å
125A87.4Confident79.1Confident0 Ų019.4 Ų19.40%010%0.096CC..Hα-helixtrans-60.8-43.2176.200000111.9V65 L66 Y69 S121 I122 L123 T128V65-A125 HydrophobicContact CG1-CB 4.05Å; V65-A125 WeakPolarHBondContact CG1-O 3.31Å; L66-A125 HydrophobicContact CD1-CB 3.98Å; Y69-A125 HydrophobicContact CD1-CB 4.48Å; Y69-A125 HydrophobicContact CD2-CB 4.39Å; Y69-A125 HydrophobicContact CG-CB 3.93Å; S121-A125 VanDerWaalsContact O-CB 3.27Å; S121-A125 WeakPolarHBondContact O-CB 3.45Å; S121-A125 PolarHBondContact O-N 3.29Å; I122-A125 WeakPolarHBondContact O-CB 3.41Å; I122-A125 PolarHBondContact O-N 2.91Å; L123-A125 VanDerWaalsContact C-N 3.29Å; L123-A125 PolarHBondContact O-N 2.75Å; A125-T128 PolarHBondContact O-OG1 3.22Å
126F89.4Confident79Confident0 Ų023.2 Ų23.20%011%0.114CC..Hα-helixtrans-81.6-30.5-176.6-65.8-27.3000113.8I62 L66 F81 M85 I100 L104 I122 L123 T128 F129I62-F126 HydrophobicContact CG2-CE1 3.76Å; I62-F126 HydrophobicContact CG2-CZ 4.47Å; L66-F126 HydrophobicContact CB-CE1 4.34Å; L66-F126 HydrophobicContact CD1-CE1 3.94Å; L66-F126 HydrophobicContact CD1-CE2 4.49Å; L66-F126 HydrophobicContact CD1-CZ 3.88Å; L66-F126 HydrophobicContact CD2-CE1 4.41Å; L66-F126 HydrophobicContact CD2-CZ 4.06Å; L66-F126 HydrophobicContact CG-CE1 4.48Å; L66-F126 HydrophobicContact CG-CZ 4.48Å; F81-F126 HydrophobicContact CB-CE2 4.03Å; F81-F126 HydrophobicContact CB-CZ 4.13Å; F81-F126 HydrophobicContact CD1-CE2 4.19Å; M85-F126 HydrophobicContact CB-CD1 4.38Å; M85-F126 HydrophobicContact CB-CE1 4.16Å; M85-F126 HydrophobicContact CB-CE2 4.34Å; M85-F126 HydrophobicContact CB-CZ 4.13Å; M85-F126 HydrophobicContact CE-CB 4.49Å; M85-F126 HydrophobicContact CG-CD1 3.92Å; M85-F126 HydrophobicContact CG-CE1 4.14Å; M85-F126 HydrophobicContact CG-CG 4.15Å; M85-F126 HydrophobicContact SD-CB 4.03Å; M85-F126 HydrophobicContact SD-CD1 4.39Å; M85-F126 HydrophobicContact SD-CD2 4.46Å; M85-F126 HydrophobicContact SD-CG 4.07Å; I100-F126 WeakPolarHBondContact CD1-O 3.38Å; I100-F126 HydrophobicContact CG2-CB 3.97Å; L104-F126 HydrophobicContact CD1-CD2 3.88Å; L104-F126 HydrophobicContact CD1-CE2 4.46Å; L104-F126 HydrophobicContact CD2-CD2 4.1Å; L104-F126 HydrophobicContact CD2-CE2 4Å; I122-F126 HydrophobicContact CG2-CD2 3.59Å; I122-F126 HydrophobicContact CG2-CE2 3.35Å; I122-F126 HydrophobicContact CG2-CZ 4.13Å; I122-F126 PolarHBondContact O-N 3.37Å; L123-F126 PolarHBondContact O-N 3.47Å; L123-F126 VanDerWaalsContact O-N 3.14Å; F126-T128 PolarHBondContact O-N 3.17Å; F126-F129 HydrophobicContact CD1-CE2 4.31Å; F126-F129 WeakPolarHBondContact O-CB 3.46Å; F126-F129 WeakPolarHBondContact O-CD2 3.35Å; F126-F129 PolarHBondContact O-N 2.97Å
127Y86.6Confident77.1Confident5 Ų526.2 Ų26.22%0.0213%0.127CC..Hα-helixtrans-63.9-19.2174.6-65.2-36.2000113.3K97 I100 D101 L123 F129 S130 S133 Y505 P507K97-Y127 HydrophobicContact CB-CD1 3.89Å; K97-Y127 HydrophobicContact CB-CE1 3.78Å; K97-Y127 HydrophobicContact CD-CD1 3.98Å; K97-Y127 HydrophobicContact CD-CD2 4.42Å; K97-Y127 HydrophobicContact CD-CE1 4.26Å; K97-Y127 HydrophobicContact CD-CG 4.06Å; K97-Y127 HydrophobicContact CG-CD1 3.6Å; K97-Y127 HydrophobicContact CG-CE1 3.99Å; K97-Y127 HydrophobicContact CG-CG 4.1Å; I100-Y127 HydrophobicContact CB-CD1 4.43Å; I100-Y127 HydrophobicContact CB-CE1 4.34Å; I100-Y127 HydrophobicContact CD1-CD1 4.04Å; I100-Y127 HydrophobicContact CG2-CD1 4.26Å; I100-Y127 HydrophobicContact CG2-CE1 4.17Å; D101-Y127 WeakPolarHBondContact OD1-CE1 3.37Å; D101-Y127 PolarHBondContact OD1-OH 3.28Å; D101-Y127 PolarHBondContact OD2-OH 2.74Å; L123-Y127 HydrophobicContact CB-CD2 4.26Å; L123-Y127 HydrophobicContact CB-CE2 3.66Å; L123-Y127 WeakPolarHBondContact O-CB 3.48Å; L123-Y127 WeakPolarHBondContact O-CD2 3.36Å; L123-Y127 PolarHBondContact O-N 2.96Å; Y127-F129 PolarHBondContact O-N 2.9Å; Y127-F129 VanDerWaalsContact O-N 3.12Å; Y127-S130 VanDerWaalsContact O-CB 3.22Å; Y127-S130 WeakPolarHBondContact O-CB 3.27Å; Y127-S130 PolarHBondContact O-N 3.48Å; Y127-S130 PolarHBondContact O-OG 3.03Å; Y127-S133 WeakPolarHBondContact O-CB 3.49Å; Y127-S133 PolarHBondContact O-OG 2.91Å; Y127-Y505 HydrophobicContact CD2-CD1 4.41Å; Y127-Y505 AromaticContact CE2-CD1 3.34Å; Y127-Y505 HydrophobicContact CE2-CD1 3.34Å; Y127-Y505 AromaticContact CE2-CE1 3.64Å; Y127-Y505 HydrophobicContact CE2-CE1 3.64Å; Y127-Y505 HydrophobicContact CE2-CG 4.5Å; Y127-Y505 AromaticContact CZ-CD1 3.84Å; Y127-Y505 WeakPolarHBondContact OH-CD1 3.45Å; Y127-P507 HydrophobicContact CD2-CG 4.19Å; Y127-P507 HydrophobicContact CE2-CG 4.41Å
128T84.2Confident74.9Confident13 Ų1329.8 Ų29.88%0.0815%0.152CC..THydrogen-bonded Turntrans-60.2-22.4171.669.40000112.7Y69 N124 A125 F126 S130Y69-T128 HydrophobicContact CE1-CG2 4.27Å; Y69-T128 HydrophobicContact CE2-CG2 4.1Å; Y69-T128 WeakPolarHBondContact OH-CG2 3.39Å; N124-T128 WeakPolarHBondContact O-CG2 3.37Å; A125-T128 PolarHBondContact O-OG1 3.22Å; F126-T128 PolarHBondContact O-N 3.17Å; T128-S130 VanDerWaalsContact C-N 3.3Å
129F85.2Confident72.7Confident8 Ų836.2 Ų36.24%0.03518%0.182CC..THydrogen-bonded Turntrans-83.8-3174.6-58.7-61.4000113.4E61 I62 V65 M85 L89 P95 F126 Y127 F184E61-F129 HydrophobicContact CG-CE1 4.25Å; E61-F129 HydrophobicContact CG-CZ 4.47Å; I62-F129 HydrophobicContact CG1-CE2 4.31Å; I62-F129 HydrophobicContact CG1-CZ 4.29Å; V65-F129 HydrophobicContact CB-CE2 4.36Å; V65-F129 HydrophobicContact CB-CZ 4.01Å; V65-F129 HydrophobicContact CG1-CE2 4.24Å; V65-F129 HydrophobicContact CG1-CZ 4.24Å; V65-F129 HydrophobicContact CG2-CE1 4.43Å; V65-F129 HydrophobicContact CG2-CZ 3.83Å; M85-F129 HydrophobicContact CE-CB 3.77Å; M85-F129 HydrophobicContact CE-CD2 3.77Å; M85-F129 HydrophobicContact CE-CG 4.12Å; L89-F129 HydrophobicContact CD1-CD1 4.47Å; L89-F129 HydrophobicContact CD1-CD2 4.29Å; L89-F129 HydrophobicContact CD1-CG 4.19Å; L89-F129 HydrophobicContact CD2-CB 4.18Å; P95-F129 WeakPolarHBondContact CD-O 3.17Å; F126-F129 HydrophobicContact CD1-CE2 4.31Å; F126-F129 WeakPolarHBondContact O-CB 3.46Å; F126-F129 WeakPolarHBondContact O-CD2 3.35Å; F126-F129 PolarHBondContact O-N 2.97Å; Y127-F129 PolarHBondContact O-N 2.9Å; Y127-F129 VanDerWaalsContact O-N 3.12Å; F129-F184 HydrophobicContact CD1-CB 4.01Å; F129-F184 AromaticContact CD1-CD2 3.69Å; F129-F184 HydrophobicContact CD1-CD2 3.69Å; F129-F184 HydrophobicContact CD1-CG 4.25Å; F129-F184 HydrophobicContact CE1-CB 4.49Å; F129-F184 AromaticContact CE1-CD2 3.57Å; F129-F184 HydrophobicContact CE1-CD2 3.57Å; F129-F184 HydrophobicContact CE1-CE2 4.33Å; F129-F184 HydrophobicContact CE1-CG 4.49Å
130S83.4Confident70.4Confident4 Ų442 Ų423%0.02821%0.207CC..SBendtrans-79.6152.2-177.476.10000113.6P95 Y127 T128 E132 S133 A134P95-S130 CarbonylContact O-C 3.58Å; P95-S130 WeakPolarHBondContact O-CA 3.37Å; Y127-S130 VanDerWaalsContact O-CB 3.22Å; Y127-S130 WeakPolarHBondContact O-CB 3.27Å; Y127-S130 PolarHBondContact O-N 3.48Å; Y127-S130 PolarHBondContact O-OG 3.03Å; T128-S130 VanDerWaalsContact C-N 3.3Å; S130-E132 VanDerWaalsContact C-N 3.31Å; S130-E132 PolarHBondContact O-N 2.82Å; S130-S133 PolarHBondContact O-N 3.38Å; S130-S133 PolarHBondContact OG-N 2.89Å; S130-S133 PolarHBondContact OG-OG 2.98Å; S130-S133 VanDerWaalsContact OG-OG 3.13Å; S130-A134 PolarHBondContact O-N 3.28Å
131T76.2Confident68.1Low34 Ų3444.2 Ų44.221%0.20923%0.225CC..Hα-helixtrans-62.7-35.9172.849.50000113K94 P95 A134 R135K94-T131 HydrophobicContact CB-CG2 3.71Å; K94-T131 WeakPolarHBondContact O-CG2 3.46Å; P95-T131 PolarHBondContact O-N 3.34Å; T131-A134 PolarHBondContact O-N 3.15Å; T131-R135 PolarHBondContact O-N 3.06Å
132E72.1Confident65.7Low51 Ų5150.8 Ų50.824%0.23826%0.255CS..Hα-helixtrans-61.2-45.8178.1-69.3172.3-142.500111.7K97 S130 A134 R135 E136K97-E132 VanDerWaalsContact CD-OE2 3.22Å; K97-E132 WeakPolarHBondContact CD-OE2 3.17Å; K97-E132 VanDerWaalsContact CE-OE2 3.27Å; K97-E132 WeakPolarHBondContact CE-OE2 3.31Å; K97-E132 IonicContact NZ-OE2 3.94Å; K97-E132 PolarHBondContact NZ-OE2 2.76Å; S130-E132 VanDerWaalsContact C-N 3.31Å; S130-E132 PolarHBondContact O-N 2.82Å; E132-A134 VanDerWaalsContact C-N 3.26Å; E132-A134 PolarHBondContact O-N 2.94Å; E132-R135 WeakPolarHBondContact O-CB 3.38Å; E132-R135 PolarHBondContact O-N 3.07Å; E132-E136 PolarHBondContact O-N 3.27Å
133S62.9Low63.1Low17 Ų1758.3 Ų58.312%0.11929%0.29CS..Hα-helixtrans-64.5-31.3179.1-65.10000112.7Y127 S130 R135 H137 P181Y127-S133 WeakPolarHBondContact O-CB 3.49Å; Y127-S133 PolarHBondContact O-OG 2.91Å; S130-S133 PolarHBondContact O-N 3.38Å; S130-S133 PolarHBondContact OG-N 2.89Å; S130-S133 PolarHBondContact OG-OG 2.98Å; S130-S133 VanDerWaalsContact OG-OG 3.13Å; S133-R135 VanDerWaalsContact C-N 3.34Å; S133-H137 PolarHBondContact O-N 2.8Å; S133-P181 WeakPolarHBondContact O-CG 3.42Å
134A55.4Low60.8Low41 Ų4164.8 Ų64.834%0.33932%0.323SS..Hα-helixtrans-67.7-33.3172.400000112.5S130 T131 E132S130-A134 PolarHBondContact O-N 3.28Å; T131-A134 PolarHBondContact O-N 3.15Å; E132-A134 VanDerWaalsContact C-N 3.26Å; E132-A134 PolarHBondContact O-N 2.94Å
135R49.4Very low58.3Low180 Ų18070.3 Ų70.368%0.67935%0.353SS*.Hα-helixtrans-76.1-46.4177.7-69.9-179.9179.5169.72112.7T131 E132 S133 H137 C138 E139T131-R135 PolarHBondContact O-N 3.06Å; E132-R135 WeakPolarHBondContact O-CB 3.38Å; E132-R135 PolarHBondContact O-N 3.07Å; S133-R135 VanDerWaalsContact C-N 3.34Å; R135-H137 PolarHBondContact O-N 2.56Å; R135-H137 VanDerWaalsContact O-N 3.11Å; R135-C138 PolarHBondContact O-N 3.39Å; R135-C138 VanDerWaalsContact O-N 3.1Å; R135-E139 PolarHBondContact O-N 3.18Å; R135-E139 VanDerWaalsContact O-N 3.11Å
136E52Low55.5Low82 Ų8277.1 Ų77.138%0.38339%0.389SS..Hα-helixtrans-56.9-28.8179.4-74.7174.3-163.200112.2K97 E132 K140K97-E136 IonicContact NZ-OE1 2.77Å; K97-E136 PolarHBondContact NZ-OE1 2.84Å; E132-E136 PolarHBondContact O-N 3.27Å; E136-K140 WeakPolarHBondContact O-CG 3.42Å; E136-K140 PolarHBondContact O-N 3.04Å
137H44.1Very low52.7Low67 Ų6783.1 Ų83.131%0.3143%0.426SS..Hα-helixtrans-79.5-39177.3-14359.3000113.9S133 R135 E139 K140 S141 E180 P181S133-H137 PolarHBondContact O-N 2.8Å; R135-H137 PolarHBondContact O-N 2.56Å; R135-H137 VanDerWaalsContact O-N 3.11Å; H137-E139 VanDerWaalsContact C-N 3.29Å; H137-E139 PolarHBondContact O-N 3.41Å; H137-K140 PolarHBondContact O-N 3.35Å; H137-S141 WeakPolarHBondContact O-CB 3.28Å; H137-S141 PolarHBondContact O-N 2.82Å; H137-S141 PolarHBondContact O-OG 2.93Å; H137-E180 WeakPolarHBondContact NE2-CB 3.3Å; H137-E180 WeakPolarHBondContact NE2-CG 3.06Å; H137-E180 IonicContact NE2-OE1 3.21Å; H137-P181 HydrophobicContact CB-CG 3.37Å; H137-P181 WeakPolarHBondContact CE1-CD 3.11Å; H137-P181 WeakPolarHBondContact ND1-CD 3.33Å
138C38.3Very low50Low77 Ų7790 Ų9052%0.5246%0.463SS..Hα-helixtrans-60.1-42.3172.4-78.60000110.8R135 S141 H142R135-C138 PolarHBondContact O-N 3.39Å; R135-C138 VanDerWaalsContact O-N 3.1Å; C138-S141 PolarHBondContact O-N 3.25Å; C138-S141 PolarHBondContact O-OG 2.9Å; C138-H142 PolarHBondContact O-CD2 3.16Å; C138-H142 PolarHBondContact O-N 2.9Å
139E38.2Very low47.5Very low135 Ų13595.3 Ų95.363%0.63150%0.5SS*.Hα-helixtrans-66.7-42.2178.4-70.4-179.3176.800112.8R135 H137 S141 H142 Q143R135-E139 PolarHBondContact O-N 3.18Å; R135-E139 VanDerWaalsContact O-N 3.11Å; H137-E139 VanDerWaalsContact C-N 3.29Å; H137-E139 PolarHBondContact O-N 3.41Å; E139-S141 VanDerWaalsContact C-N 3.32Å; E139-S141 PolarHBondContact O-N 3.07Å; E139-H142 PolarHBondContact O-N 3.47Å; E139-Q143 PolarHBondContact O-N 2.98Å
140K39.7Very low44.8Very low123 Ų123101.6 Ų101.654%0.53554%0.544SS..Hα-helixtrans-65.9-32.1174.5-77.2178.8179172.90112.9E136 H137 H142 Q143 I144E136-K140 WeakPolarHBondContact O-CG 3.42Å; E136-K140 PolarHBondContact O-N 3.04Å; H137-K140 PolarHBondContact O-N 3.35Å; K140-H142 VanDerWaalsContact C-N 3.31Å; K140-H142 PolarHBondContact O-N 3.22Å; K140-Q143 PolarHBondContact O-N 3.27Å; K140-I144 WeakPolarHBondContact O-CD1 3.48Å; K140-I144 WeakPolarHBondContact O-CG1 3.45Å
141S38.6Very low42.2Very low64 Ų64104.7 Ų104.745%0.44858%0.577SS.*Hα-helixtrans-69.6-26.7175.2720000113.3H137 C138 E139H137-S141 WeakPolarHBondContact O-CB 3.28Å; H137-S141 PolarHBondContact O-N 2.82Å; H137-S141 PolarHBondContact O-OG 2.93Å; C138-S141 PolarHBondContact O-N 3.25Å; C138-S141 PolarHBondContact O-OG 2.9Å; E139-S141 VanDerWaalsContact C-N 3.32Å; E139-S141 PolarHBondContact O-N 3.07Å
142H36Very low40Very low142 Ų142112.8 Ų112.866%0.65761%0.612SS**Hα-helixtrans-80.8-30.3174.8-77.4-59.1000113.4C138 E139 K140 I144C138-H142 PolarHBondContact O-CD2 3.16Å; C138-H142 PolarHBondContact O-N 2.9Å; E139-H142 PolarHBondContact O-N 3.47Å; K140-H142 VanDerWaalsContact C-N 3.31Å; K140-H142 PolarHBondContact O-N 3.22Å; H142-I144 VanDerWaalsContact C-N 3.35Å; H142-I144 PolarHBondContact O-N 3.38Å
143Q35.4Very low38Very low158 Ų158116.7 Ų116.774%0.73864%0.639SS**Hα-helixtrans-77.8-12.9177.8-77.6-174.3-9.500114.9E139 K140 N145E139-Q143 PolarHBondContact O-N 2.98Å; K140-Q143 PolarHBondContact O-N 3.27Å; Q143-N145 VanDerWaalsContact C-N 3.32Å
144I38.3Very low36.4Very low138 Ų138121.4 Ų121.471%0.70867%0.671SS**THydrogen-bonded Turntrans-82.8-9.5179.3-67.8168.8000112.4K140 H142K140-I144 WeakPolarHBondContact O-CD1 3.48Å; K140-I144 WeakPolarHBondContact O-CG1 3.45Å; H142-I144 VanDerWaalsContact C-N 3.35Å; H142-I144 PolarHBondContact O-N 3.38Å
145N32Very low35.3Very low137 Ų137125 Ų12573%0.73369%0.689SS**THydrogen-bonded Turntrans-1020.6-178.6-77.9-16.5000115.9Q143Q143-N145 VanDerWaalsContact C-N 3.32Å
146D27.8Very low34.3Very low144 Ų144122.9 Ų122.977%0.7769%0.691SS**  trans-114.272.2178.3-82.2-31.5000111.5
147V31.5Very low33.1Very low126 Ų126125.9 Ų125.976%0.76471%0.71SS**SBendtrans-140100.1155.4-167.20000109.5
148D29.4Very low32.4Very low148 Ų148128.5 Ų128.579%0.79173%0.73SS**  trans58.5105.7156-62.5-21.9000121.2
149S32.3Very low31.9Very low125 Ų125133.5 Ų133.587%0.87475%0.751SS**  -174.1137109.731.40000112.8
150C27.9Very low31.5Very low141 Ų141134 Ų13495%0.95376%0.757SS**  trans-46.5136.8-179.9-61.40000115.7
151G27.7Very low30.9Very low69 Ų69135.1 Ų135.171%0.71177%0.768SS**  trans150.294.8153.200000116.6
152H31.2Very low30.4Very low204 Ų204140.3 Ų140.394%0.94479%0.789SS**  trans51.3128.1153.3-73.8-68000122.4
153V29.4Very low30Very low133 Ų133141.7 Ų141.781%0.80680%0.796SS**  trans-71.6137.3173.1176.50000112.3V155V153-V155 HydrophobicContact CG1-CG2 4.45Å
154S30.7Very low29.6Very low115 Ų115141.1 Ų141.180%0.80480%0.798SS**  trans-152130.9135.167.90000111.4
155V30.6Very low29.2Very low118 Ų118141.1 Ų141.172%0.71581%0.809SS**  trans-77.4132.2173.9-171.90000108.5V153V153-V155 HydrophobicContact CG1-CG2 4.45Å
156D29.4Very low29Very low135 Ų135139.6 Ų139.672%0.72282%0.815SS**  trans171.3130.2131.8-86.1-24.4000113.2
157N27.1Very low29Very low145 Ų145137 Ų13778%0.77581%0.808SS**  trans46.999.8149.9-64.7-31.9000120.2
158V28.9Very low28.8Very low122 Ų122140.4 Ų140.474%0.73981%0.813SS**  trans-147.2111.1137.4-156.60000111.5I160V158-I160 HydrophobicContact CB-CD1 4.45Å; V158-I160 HydrophobicContact CB-CG1 4.21Å; V158-I160 HydrophobicContact CG1-CD1 3.75Å; V158-I160 HydrophobicContact CG1-CG1 3.41Å; V158-I160 VanDerWaalsContact CG1-CG1 3.41Å
159L28.4Very low28.7Very low181 Ų181137.8 Ų137.895%0.94881%0.805SS**  trans-64.7121.4154.2-84.7143.3000108.2
160I30Very low28.5Very low147 Ų147137.6 Ų137.675%0.75480%0.804SS**  trans-132129.4167.5-55.3-174.5000111.1V158V158-I160 HydrophobicContact CB-CD1 4.45Å; V158-I160 HydrophobicContact CB-CG1 4.21Å; V158-I160 HydrophobicContact CG1-CD1 3.75Å; V158-I160 HydrophobicContact CG1-CG1 3.41Å; V158-I160 VanDerWaalsContact CG1-CG1 3.41Å
161D26Very low28.5Very low145 Ų145135.9 Ų135.978%0.77579%0.793SS**  trans-45.6145176.5-88.5-50.6000116.9E163D161-E163 VanDerWaalsContact C-N 3.27Å; D161-E163 PolarHBondContact O-N 2.99Å
162I29.3Very low28.5Very low173 Ų173142.8 Ų142.889%0.88780%0.798SS**SBendtrans-88.146.5173.7-64.7171.3000110.8
163E26.9Very low28.4Very low171 Ų171143.7 Ų143.780%0.79979%0.793SS**  trans-142.167.7176.4-73.7-166.5159.600112.5D161D161-E163 VanDerWaalsContact C-N 3.27Å; D161-E163 PolarHBondContact O-N 2.99Å
164D27.3Very low28.4Very low147 Ų147141.4 Ų141.479%0.78678%0.782SS**SBendtrans-163.318.4151.1-126.4-13000118.8
165C29.3Very low28.4Very low138 Ų138142.6 Ų142.693%0.93278%0.779SS**SBendtrans-103.426.4-179.9-137.40000114.8
166A28.7Very low28.7Very low104 Ų104138.6 Ų138.686%0.8676%0.762SS**SBendtrans-102-7.9-177.900000115
167S27.5Very low29.3Very low91 Ų91133.5 Ų133.564%0.63673%0.734SS**SBendtrans-112.20.6-163.762.50000117.2
168K27Very low29.8Very low197 Ų197131.9 Ų131.986%0.85773%0.726SS**SBendtrans-134.813.3-176.2-71.2-174.5-179.3172.40117.8
169C28.3Very low30.3Very low92 Ų92129 Ų12962%0.62271%0.711SS**  trans-124.853.6-179.5-146.90000113.7
170S26.6Very low30.8Very low122 Ų122127.2 Ų127.285%0.85370%0.698SS**  trans-90.3-117948.70000114.8
171S27.5Very low31.4Very low105 Ų105122 Ų12273%0.73467%0.674SS**SBendtrans-115.57.9-170.258.70000116.7
172R28Very low32.6Very low214 Ų214117.2 Ų117.281%0.80865%0.648SS**  trans-119.55.7-177.2-75.3-172.3-178.1-177.82.1117.1C174R172-C174 PolarHBondContact O-N 3.27Å; R172-C174 VanDerWaalsContact O-N 3.17Å
173R29.2Very low33.4Very low222 Ų222115.1 Ų115.184%0.83864%0.638SS**THydrogen-bonded Turntrans-76.68.5-179-75.3-170.4-173.5173.92.6115.9
174C29.2Very low34.5Very low86 Ų86108.8 Ų108.858%0.58161%0.608SS**THydrogen-bonded Turntrans-100.310.8-169-62.60000116.2R172 T520R172-C174 PolarHBondContact O-N 3.27Å; R172-C174 VanDerWaalsContact O-N 3.17Å; C174-T520 HydrophobicContact CB-CG2 4.5Å
175N31.4Very low35.6Very low139 Ų139109.6 Ų109.674%0.74360%0.604SS**  trans-105.884.8176.1-73-8.7000110.6
176G35.7Very low36.5Very low34 Ų34111.4 Ų111.435%0.35160%0.596SS.*THydrogen-bonded Turntrans-55.3157.2172.900000113.1
177I44Very low37.5Very low28 Ų28108.3 Ų108.314%0.14457%0.567CS.*THydrogen-bonded Turntrans89.4-19.4179.4-40.3168.6000115.6A511 I1175I177-A511 HydrophobicContact CB-CB 4.34Å; I177-A511 HydrophobicContact CG2-CB 3.42Å; I177-A511 VanDerWaalsContact CG2-CB 3.42Å; I177-I1175 HydrophobicContact CD1-CD1 3.83Å
178N37.5Very low38.3Very low111 Ų111107.8 Ų107.859%0.59457%0.567SS**  trans-140.164.8173.4-77.6-38.4000113.1C509N178-C509 PolarHBondContact OD1-O 3.1Å
179S38.9Very low39.4Very low63 Ų6399.2 Ų99.244%0.44153%0.532SS..PPolyproline II helixtrans-89.7144.3171.941.20000112.3Y69Y69-S179 WeakPolarHBondContact CE2-OG 3.45Å; Y69-S179 PolarHBondContact OH-O 3.38Å; Y69-S179 PolarHBondContact OH-OG 3.36Å
180E38.4Very low40.6Very low143 Ų14395.3 Ų95.367%0.66851%0.505SS*.PPolyproline II helixtrans-51.3147.1172.6-60.5-176.4166.300111.4H137 I182H137-E180 WeakPolarHBondContact NE2-CB 3.3Å; H137-E180 WeakPolarHBondContact NE2-CG 3.06Å; H137-E180 IonicContact NE2-OE1 3.21Å; E180-I182 PolarHBondContact O-N 2.86Å
181P42.4Very low41.8Very low37 Ų3792 Ų9224%0.2449%0.49CS..PPolyproline II helixtrans-59.1124.4175.815.7-17.8000110.1S133 H137 L183S133-P181 WeakPolarHBondContact O-CG 3.42Å; H137-P181 HydrophobicContact CB-CG 3.37Å; H137-P181 WeakPolarHBondContact CE1-CD 3.11Å; H137-P181 WeakPolarHBondContact ND1-CD 3.33Å; P181-L183 PolarHBondContact O-N 2.81Å
182I51.6Low43.7Very low45 Ų4590.5 Ų90.523%0.23147%0.473CS..  trans-81.5107.8178.8-60.5165.9000106.8V65 E180 F184V65-I182 HydrophobicContact CG2-CD1 3.77Å; E180-I182 PolarHBondContact O-N 2.86Å; I182-F184 PolarHBondContact O-N 2.75Å
183L45.4Very low45.7Very low129 Ų12985.1 Ų85.168%0.67547%0.468SS*.  trans-57.7116.2168.9-159.787.3000107.7P181 K185P181-L183 PolarHBondContact O-N 2.81Å; L183-K185 PolarHBondContact O-N 3.47Å
184F51.1Low48.1Very low38 Ų3877.2 Ų77.217%0.16744%0.44CS..  trans-55.6102.6178.7-175.8-104.8000109.6E61 L89 F129 I182 K186 D190E61-F184 HydrophobicContact CB-CE2 4.4Å; L89-F184 HydrophobicContact CD1-CD2 4.48Å; L89-F184 HydrophobicContact CD1-CE2 4.15Å; F129-F184 HydrophobicContact CD1-CB 4.01Å; F129-F184 AromaticContact CD1-CD2 3.69Å; F129-F184 HydrophobicContact CD1-CD2 3.69Å; F129-F184 HydrophobicContact CD1-CG 4.25Å; F129-F184 HydrophobicContact CE1-CB 4.49Å; F129-F184 AromaticContact CE1-CD2 3.57Å; F129-F184 HydrophobicContact CE1-CD2 3.57Å; F129-F184 HydrophobicContact CE1-CE2 4.33Å; F129-F184 HydrophobicContact CE1-CG 4.49Å; I182-F184 PolarHBondContact O-N 2.75Å; F184-K186 PolarHBondContact O-N 3.08Å; F184-D190 WeakPolarHBondContact CZ-OD2 3.34Å
185K49.9Very low50.6Low164 Ų16475.8 Ų75.871%0.71343%0.43SS*.  trans-87.2110.6169.6-74.4-172.1179-174.90106.4L183 T187L183-K185 PolarHBondContact O-N 3.47Å; K185-T187 WeakPolarHBondContact O-CG2 3.46Å; K185-T187 PolarHBondContact O-N 3.09Å
186K49.2Very low53.1Low175 Ų17573.4 Ų73.476%0.76143%0.429SS*.  trans-47115.1173.8-154.2174.9-173.1179.70108.7F184 D190F184-K186 PolarHBondContact O-N 3.08Å; K186-D190 WeakPolarHBondContact CA-OD2 3.31Å; K186-D190 HydrophobicContact CG-CB 3.8Å
187T49.5Very low55.4Low40 Ų4078.6 Ų78.625%0.24545%0.445CS..  trans-88.2168.9-176.958.70000110.8E61 K185 T189 D190E61-T187 HydrophobicContact CB-CG2 4.32Å; K185-T187 WeakPolarHBondContact O-CG2 3.46Å; K185-T187 PolarHBondContact O-N 3.09Å; T187-T189 PolarHBondContact O-N 3.4Å; T187-T189 PolarHBondContact OG1-OG1 3.22Å; T187-D190 PolarHBondContact N-OD2 2.88Å; T187-D190 WeakPolarHBondContact O-CB 3.46Å; T187-D190 PolarHBondContact O-N 2.91Å; T187-D190 PolarHBondContact OG1-OD2 2.98Å; T187-D190 VanDerWaalsContact OG1-OD2 3.07Å
188A43.4Very low57.2Low79 Ų7979 Ų7965%0.65345%0.447SS*.G310 helixtrans-62.1-28.117600000112.8G191A188-G191 VanDerWaalsContact O-CA 3.25Å; A188-G191 WeakPolarHBondContact O-CA 3.38Å; A188-G191 PolarHBondContact O-N 2.86Å
189T49.8Very low58.9Low17 Ų1778.1 Ų78.110%0.10445%0.445CS..G310 helixtrans-79.7-18.2177.643.70000114.3I52 E54 H60 T187 G191 L192I52-T189 WeakPolarHBondContact O-CB 3.43Å; I52-T189 WeakPolarHBondContact O-CG2 3.34Å; E54-T189 HydrophobicContact CB-CG2 4.41Å; E54-T189 HydrophobicContact CG-CG2 3.3Å; H60-T189 PolarHBondContact CD2-OG1 2.95Å; H60-T189 VanDerWaalsContact CD2-OG1 3.28Å; T187-T189 PolarHBondContact O-N 3.4Å; T187-T189 PolarHBondContact OG1-OG1 3.22Å; T189-G191 PolarHBondContact O-N 2.96Å; T189-G191 VanDerWaalsContact O-N 3.16Å; T189-L192 PolarHBondContact O-N 2.94Å
190D53.2Low60.2Low10 Ų1077.2 Ų77.25%0.05344%0.442CS..G310 helixtrans-62.2-17.1161-68.7-56.5000111.8H60 K90 F184 K186 T187H60-D190 IonicContact CE1-OD1 2.72Å; H60-D190 IonicContact NE2-OD1 3.79Å; H60-D190 PolarHBondContact NE2-OD1 3.04Å; K90-D190 PolarHBondContact NZ-O 2.8Å; F184-D190 WeakPolarHBondContact CZ-OD2 3.34Å; K186-D190 WeakPolarHBondContact CA-OD2 3.31Å; K186-D190 HydrophobicContact CG-CB 3.8Å; T187-D190 PolarHBondContact N-OD2 2.88Å; T187-D190 WeakPolarHBondContact O-CB 3.46Å; T187-D190 PolarHBondContact O-N 2.91Å; T187-D190 PolarHBondContact OG1-OD2 2.98Å; T187-D190 VanDerWaalsContact OG1-OD2 3.07Å
191G53.5Low61.6Low53 Ų5373.5 Ų73.555%0.54644%0.435SS..G310 helixtrans-85.214.7174.500000115.6A188 T189 S193A188-G191 VanDerWaalsContact O-CA 3.25Å; A188-G191 WeakPolarHBondContact O-CA 3.38Å; A188-G191 PolarHBondContact O-N 2.86Å; T189-G191 PolarHBondContact O-N 2.96Å; T189-G191 VanDerWaalsContact O-N 3.16Å; G191-S193 PolarHBondContact O-N 3.06Å
192L65.8Low63.5Low74 Ų7477 Ų7739%0.38745%0.446SS..  trans-54.993.4160.6-86.3168.6000108.2T47 I52 T189T47-L192 HydrophobicContact CG2-CD1 4.15Å; I52-L192 HydrophobicContact CG2-CD1 4.37Å; T189-L192 PolarHBondContact O-N 2.94Å
193S69.9Low64.9Low100 Ų10076.1 Ų76.170%0.69944%0.441SS*.PPolyproline II helixtrans-69.2134.1178.5660000107.6G191G191-S193 PolarHBondContact O-N 3.06Å
194F79.7Confident66.4Low56 Ų5674.6 Ų74.625%0.24643%0.433CS..PPolyproline II helixtrans-53.6129.8172.1-174.8-91.1000108.6K26 A45 A196 L198 V199K26-F194 HydrophobicContact CD-CB 3.67Å; K26-F194 HydrophobicContact CD-CG 4.21Å; K26-F194 HydrophobicContact CG-CB 4.49Å; A45-F194 HydrophobicContact CB-CD2 4.16Å; A45-F194 HydrophobicContact CB-CE2 3.88Å; F194-A196 PolarHBondContact O-N 3.49Å; F194-L198 HydrophobicContact CD1-CB 4.33Å; F194-L198 HydrophobicContact CE1-CB 3.44Å; F194-L198 VanDerWaalsContact CE1-CB 3.44Å; F194-L198 HydrophobicContact CZ-CB 3.8Å; F194-L198 HydrophobicContact CZ-CD1 4.36Å; F194-V199 HydrophobicContact CD1-CG2 3.8Å; F194-V199 HydrophobicContact CE1-CG2 4.18Å
195P83.5Confident67.9Low56 Ų5679.1 Ų79.136%0.36446%0.455SS..PPolyproline II helixtrans-52.1123.6-172.1-28.134.8000111.3A45 E197 L198A45-P195 HydrophobicContact CB-CG 4.18Å; P195-E197 PolarHBondContact O-N 2.84Å; P195-E197 VanDerWaalsContact O-N 3.17Å; P195-L198 HydrophobicContact CB-CB 4.43Å; P195-L198 HydrophobicContact CB-CD1 4.03Å; P195-L198 HydrophobicContact CB-CG 4.09Å; P195-L198 HydrophobicContact CG-CD1 3.99Å; P195-L198 PolarHBondContact O-N 3.39Å
196A82.3Confident69.8Low89 Ų8974.6 Ų74.674%0.73644%0.436SS*.G310 helixtrans-57.8-33.2-176.500000112F194 L198 V199F194-A196 PolarHBondContact O-N 3.49Å; A196-L198 PolarHBondContact O-N 3.15Å; A196-V199 PolarHBondContact O-N 3.32Å
197E84Confident71.9Confident143 Ų14370.3 Ų70.367%0.66842%0.418SS*.G310 helixtrans-57.2-36.4175.2-174.8176.3-174.500112.8P195 Y203P195-E197 PolarHBondContact O-N 2.84Å; P195-E197 VanDerWaalsContact O-N 3.17Å; E197-Y203 WeakPolarHBondContact O-CE2 3.34Å
198L83.4Confident74Confident38 Ų3870 Ų7020%0.19941%0.414CS..G310 helixtrans-85.7-4.7-174.7-63.8179.3000113.8A45 F194 P195 A196 A200 Y203A45-L198 HydrophobicContact CB-CD1 4.04Å; F194-L198 HydrophobicContact CD1-CB 4.33Å; F194-L198 HydrophobicContact CE1-CB 3.44Å; F194-L198 VanDerWaalsContact CE1-CB 3.44Å; F194-L198 HydrophobicContact CZ-CB 3.8Å; F194-L198 HydrophobicContact CZ-CD1 4.36Å; P195-L198 HydrophobicContact CB-CB 4.43Å; P195-L198 HydrophobicContact CB-CD1 4.03Å; P195-L198 HydrophobicContact CB-CG 4.09Å; P195-L198 HydrophobicContact CG-CD1 3.99Å; P195-L198 PolarHBondContact O-N 3.39Å; A196-L198 PolarHBondContact O-N 3.15Å; L198-A200 PolarHBondContact O-N 3.15Å; L198-Y203 HydrophobicContact CD2-CD2 4.38Å; L198-Y203 HydrophobicContact CD2-CE2 4.05Å
199V73.1Confident76.5Confident92 Ų9272 Ų7256%0.55841%0.405SS*.G310 helixtrans-73.3-12.5179-178.70000111.6F194 A196 A201F194-V199 HydrophobicContact CD1-CG2 3.8Å; F194-V199 HydrophobicContact CE1-CG2 4.18Å; A196-V199 PolarHBondContact O-N 3.32Å; V199-A201 PolarHBondContact O-N 3.22Å
200A66.1Low78.6Confident44 Ų4474.7 Ų74.736%0.36442%0.415SS..  trans-72.3126.1-178.700000112.6L198 K202 Y203L198-A200 PolarHBondContact O-N 3.15Å; A200-K202 HydrophobicContact CB-CD 4.31Å; A200-K202 HydrophobicContact CB-CG 3.96Å; A200-K202 PolarHBondContact O-N 2.86Å; A200-Y203 HydrophobicContact CB-CE2 4.48Å
201A67.4Low80.5Confident64 Ų6479.7 Ų79.753%0.52944%0.439SS..THydrogen-bonded Turntrans-57.1-19.4176.600000114.3V199 Y203 D204V199-A201 PolarHBondContact O-N 3.22Å; A201-Y203 PolarHBondContact O-N 3.31Å; A201-Y203 VanDerWaalsContact O-N 3.15Å; A201-D204 PolarHBondContact O-N 2.92Å
202K81.5Confident81.9Confident110 Ų11080.6 Ų80.648%0.47843%0.431SS..Hα-helixtrans-52.3-38.6-178.571.8178.9-174.6169.10113.3A200 D204 E205 E206A200-K202 HydrophobicContact CB-CD 4.31Å; A200-K202 HydrophobicContact CB-CG 3.96Å; A200-K202 PolarHBondContact O-N 2.86Å; K202-D204 VanDerWaalsContact C-N 3.26Å; K202-D204 PolarHBondContact O-N 2.85Å; K202-E205 PolarHBondContact O-N 3.1Å; K202-E205 VanDerWaalsContact O-N 3.16Å; K202-E206 WeakPolarHBondContact O-CG 3.31Å; K202-E206 PolarHBondContact O-N 3.43Å
203Y81.1Confident82.5Confident27 Ų2783.9 Ų83.911%0.10644%0.444CS..Hα-helixtrans-69.8-25-175.9-61.5-62.6000112.7H42 E197 L198 A200 A201 E205 R219H42-Y203 AromaticContact CE1-CD1 3.96Å; H42-Y203 AromaticContact NE2-CD1 3.62Å; E197-Y203 WeakPolarHBondContact O-CE2 3.34Å; L198-Y203 HydrophobicContact CD2-CD2 4.38Å; L198-Y203 HydrophobicContact CD2-CE2 4.05Å; A200-Y203 HydrophobicContact CB-CE2 4.48Å; A201-Y203 PolarHBondContact O-N 3.31Å; A201-Y203 VanDerWaalsContact O-N 3.15Å; Y203-E205 VanDerWaalsContact C-N 3.33Å; Y203-R219 PolarHBondContact O-NH1 2.85Å; Y203-R219 PolarHBondContact O-NH2 3.46Å
204D77.1Confident83Confident97 Ų9782.5 Ų82.552%0.51943%0.429SS..Hα-helixtrans-79-19.6176.9-68.8-32000112.4A201 K202 R219A201-D204 PolarHBondContact O-N 2.92Å; K202-D204 VanDerWaalsContact C-N 3.26Å; K202-D204 PolarHBondContact O-N 2.85Å; D204-R219 IonicContact OD1-NH2 2.65Å
205E82.6Confident83.5Confident133 Ų13380.5 Ų80.562%0.62142%0.421SS*.Hα-helixtrans-97.7-10.2-176.8-61.7-176.8166.600113.7K202 Y203 F207 T221K202-E205 PolarHBondContact O-N 3.1Å; K202-E205 VanDerWaalsContact O-N 3.16Å; Y203-E205 VanDerWaalsContact C-N 3.33Å; E205-F207 PolarHBondContact O-N 2.68Å; E205-T221 WeakPolarHBondContact O-CG2 3.5Å; E205-T221 PolarHBondContact O-OG1 2.88Å
206E89.4Confident84.1Confident69 Ų6979.3 Ų79.332%0.32241%0.411SS..  trans-75.2120.3-179.9-77.9171.3178.200113.8H42 K202 L208 R219 T221H42-E206 IonicContact CD2-OE2 2.76Å; H42-E206 IonicContact CE1-OE2 3.31Å; H42-E206 PolarHBondContact CE1-OE2 2.86Å; H42-E206 IonicContact NE2-OE2 3.65Å; H42-E206 PolarHBondContact NE2-OE2 2.84Å; K202-E206 WeakPolarHBondContact O-CG 3.31Å; K202-E206 PolarHBondContact O-N 3.43Å; E206-L208 HydrophobicContact CB-CD2 4.18Å; E206-L208 HydrophobicContact CB-CG 4.37Å; E206-R219 PolarHBondContact O-NH1 3.35Å; E206-T221 VanDerWaalsContact C-CG2 3.49Å; E206-T221 VanDerWaalsContact O-CG2 3.28Å; E206-T221 WeakPolarHBondContact O-CG2 3.47Å
207F93.9Very high84.6Confident86 Ų8675.6 Ų75.638%0.37738%0.379SS..  trans-72.2126.2162.5179.2-83.3000109.7E205 Y218 R219 P220 Q225 L229E205-F207 PolarHBondContact O-N 2.68Å; F207-Y218 HydrophobicContact CE1-CD1 4.2Å; F207-Y218 AromaticContact CZ-CD1 3.69Å; F207-Y218 HydrophobicContact CZ-CD1 3.69Å; F207-Y218 HydrophobicContact CZ-CE1 4.23Å; F207-R219 WeakPolarHBondContact CA-O 3.48Å; F207-P220 HydrophobicContact CD2-CB 4.34Å; F207-P220 HydrophobicContact CE2-CB 4.28Å; F207-Q225 HydrophobicContact CD2-CG 4.44Å; F207-Q225 HydrophobicContact CE2-CB 4.48Å; F207-L229 HydrophobicContact CE2-CD1 4.02Å; F207-L229 HydrophobicContact CZ-CD1 4.31Å
208L94.5Very high85.2Confident32 Ų3269.9 Ų69.917%0.16835%0.351CS..EExtended strand (participates in β ladder)trans-125147.3-179.3-56.5173.3000112.3H42 E206 F210 Y218 R219H42-L208 HydrophobicContact CB-CD1 4.03Å; H42-L208 VanDerWaalsContact CD2-CD1 3.42Å; H42-L208 WeakPolarHBondContact CD2-CD1 3.35Å; E206-L208 HydrophobicContact CB-CD2 4.18Å; E206-L208 HydrophobicContact CB-CG 4.37Å; L208-F210 HydrophobicContact CB-CE2 4.04Å; L208-F210 HydrophobicContact CB-CZ 4.13Å; L208-F210 HydrophobicContact CD1-CE2 4.13Å; L208-F210 HydrophobicContact CD1-CZ 3.73Å; L208-Y218 WeakPolarHBondContact O-CA 3.41Å; L208-R219 HydrophobicContact CB-CB 4.17Å; L208-R219 PolarHBondContact N-O 3.48Å; L208-R219 VanDerWaalsContact N-O 3.16Å; L208-R219 PolarHBondContact O-N 2.97Å
209R95.1Very high85.7Confident122 Ų12268.8 Ų68.846%0.4634%0.344SS..EExtended strand (participates in β ladder)trans-128.6114.9170.9-179.2-177.8-174.9-115.6-6.5108E211 I216 F217 Y218R209-E211 IonicContact CZ-OE1 3.29Å; R209-E211 IonicContact CZ-OE2 2.84Å; R209-E211 IonicContact NH1-OE2 2.68Å; R209-E211 PolarHBondContact NH1-OE2 3.42Å; R209-E211 IonicContact NH2-OE1 2.79Å; R209-E211 PolarHBondContact NH2-OE1 2.68Å; R209-E211 IonicContact NH2-OE2 3.25Å; R209-E211 PolarHBondContact NH2-OE2 2.87Å; R209-I216 HydrophobicContact CG-CG2 3.94Å; R209-F217 WeakPolarHBondContact CA-O 3.45Å; R209-Y218 HydrophobicContact CB-CD1 4.14Å; R209-Y218 HydrophobicContact CB-CE1 4.08Å; R209-Y218 HydrophobicContact CG-CD1 4.1Å; R209-Y218 HydrophobicContact CG-CE1 3.67Å; R209-Y218 PolarHBondContact NE-OH 3.09Å
210F94.4Very high86.8Confident73 Ų7364.4 Ų64.432%0.3232%0.318SS..EExtended strand (participates in β ladder)trans-104.3137.2169.4-52.6-74.8000108.6C39 L208 F217C39-F210 HydrophobicContact CB-CD2 3.67Å; C39-F210 HydrophobicContact CB-CE2 3.86Å; C39-F210 HydrophobicContact CB-CG 4.46Å; C39-F210 VanDerWaalsContact SG-CD2 3.6Å; L208-F210 HydrophobicContact CB-CE2 4.04Å; L208-F210 HydrophobicContact CB-CZ 4.13Å; L208-F210 HydrophobicContact CD1-CE2 4.13Å; L208-F210 HydrophobicContact CD1-CZ 3.73Å; F210-F217 HydrophobicContact CB-CB 4.31Å; F210-F217 AromaticContact CD2-CD1 3.81Å; F210-F217 HydrophobicContact CD2-CD1 3.81Å; F210-F217 HydrophobicContact CD2-CE1 4.47Å; F210-F217 HydrophobicContact CE2-CD1 4.41Å; F210-F217 PolarHBondContact N-O 3.46Å; F210-F217 PolarHBondContact O-N 3.03Å
211E92.2Very high88Confident116 Ų11663.8 Ų63.854%0.54231%0.31SS..EExtended strand (participates in β ladder)trans-138.7135.8-173.8-180168-146.700110R209 I216R209-E211 IonicContact CZ-OE1 3.29Å; R209-E211 IonicContact CZ-OE2 2.84Å; R209-E211 IonicContact NH1-OE2 2.68Å; R209-E211 PolarHBondContact NH1-OE2 3.42Å; R209-E211 IonicContact NH2-OE1 2.79Å; R209-E211 PolarHBondContact NH2-OE1 2.68Å; R209-E211 IonicContact NH2-OE2 3.25Å; R209-E211 PolarHBondContact NH2-OE2 2.87Å; E211-I216 HydrophobicContact CG-CG1 4.24Å
212N83.5Confident89.2Confident71 Ų7162.6 Ų62.638%0.3830%0.298SS..  trans-130.1-175.1163.86830.4000109.2D214 C215 R255N212-D214 PolarHBondContact O-N 3.23Å; N212-D214 VanDerWaalsContact O-N 3.11Å; N212-D214 PolarHBondContact OD1-N 2.96Å; N212-D214 VanDerWaalsContact OD1-N 3.09Å; N212-C215 PolarHBondContact N-O 3.06Å; N212-C215 VanDerWaalsContact N-O 3.09Å; N212-C215 PolarHBondContact OD1-N 2.95Å; N212-C215 PolarHBondContact OD1-O 3.21Å; N212-R255 PolarHBondContact ND2-NH2 2.77Å; N212-R255 VanDerWaalsContact ND2-NH2 3.12Å
213H77.4Confident89.8Confident144 Ų14458.6 Ų58.667%0.66728%0.281SS*.SBendtrans-56.6-27.9-174.760.2-76.8000115.1R626H213-R626 PolarHBondContact NE2-NH2 3.33Å
214D82Confident90.4Very high71 Ų7162.8 Ų62.838%0.3830%0.302SS..SBendtrans-123.2-8.5-171.6-59.4-26.8000114.7N212 R255 R626N212-D214 PolarHBondContact O-N 3.23Å; N212-D214 VanDerWaalsContact O-N 3.11Å; N212-D214 PolarHBondContact OD1-N 2.96Å; N212-D214 VanDerWaalsContact OD1-N 3.09Å; D214-R255 IonicContact OD2-NH1 3.02Å; D214-R255 PolarHBondContact OD2-NH1 3.48Å; D214-R626 IonicContact OD2-CZ 2.85Å; D214-R626 IonicContact OD2-NH1 3.78Å; D214-R626 PolarHBondContact OD2-NH1 2.91Å
215C89.6Confident91.3Very high14 Ų1460.8 Ų60.810%0.09529%0.289CS..  trans-148.4132.1-169.4-177.90000111.6N212 H256 A257N212-C215 PolarHBondContact N-O 3.06Å; N212-C215 VanDerWaalsContact N-O 3.09Å; N212-C215 PolarHBondContact OD1-N 2.95Å; N212-C215 PolarHBondContact OD1-O 3.21Å; C215-H256 PolarHBondContact SG-O 2.96Å; C215-A257 WeakPolarHBondContact CA-O 3.39Å
216I94.9Very high91.9Very high30 Ų3054.4 Ų54.415%0.15426%0.26CS..EExtended strand (participates in β ladder)trans-108.9128.4169.7-51.3170.9000108.5R209 E211 Y218 A257 V258 L259R209-I216 HydrophobicContact CG-CG2 3.94Å; E211-I216 HydrophobicContact CG-CG1 4.24Å; I216-Y218 HydrophobicContact CB-CE2 4.19Å; I216-Y218 HydrophobicContact CG2-CD2 3.95Å; I216-Y218 HydrophobicContact CG2-CE1 4.28Å; I216-Y218 HydrophobicContact CG2-CE2 3.36Å; I216-A257 PolarHBondContact N-O 3.36Å; I216-V258 WeakPolarHBondContact O-CA 3.21Å; I216-L259 PolarHBondContact O-N 2.92Å
217F94.3Very high92.2Very high11 Ų1151.7 Ų51.75%0.04825%0.247CC..EExtended strand (participates in β ladder)trans-113.8120.5175.5-174.6-75.8000109.8C39 H40 R209 F210 R219 V239 L259 H261C39-F217 HydrophobicContact CB-CD1 3.75Å; C39-F217 HydrophobicContact CB-CD2 4.2Å; C39-F217 HydrophobicContact CB-CE1 3.7Å; C39-F217 HydrophobicContact CB-CE2 4.15Å; C39-F217 HydrophobicContact CB-CG 3.99Å; C39-F217 HydrophobicContact CB-CZ 3.88Å; H40-F217 AromaticContact CD2-CE2 3.67Å; H40-F217 AromaticContact CD2-CZ 3.32Å; H40-F217 WeakPolarHBondContact CD2-CZ 3.43Å; H40-F217 AromaticContact NE2-CE2 3.54Å; H40-F217 AromaticContact NE2-CZ 3.5Å; R209-F217 WeakPolarHBondContact CA-O 3.45Å; F210-F217 HydrophobicContact CB-CB 4.31Å; F210-F217 AromaticContact CD2-CD1 3.81Å; F210-F217 HydrophobicContact CD2-CD1 3.81Å; F210-F217 HydrophobicContact CD2-CE1 4.47Å; F210-F217 HydrophobicContact CE2-CD1 4.41Å; F210-F217 PolarHBondContact N-O 3.46Å; F210-F217 PolarHBondContact O-N 3.03Å; F217-R219 HydrophobicContact CE1-CB 4.45Å; F217-V239 HydrophobicContact CE2-CG1 3.84Å; F217-V239 HydrophobicContact CZ-CG1 4.28Å; F217-L259 CarbonylContact C-O 3.57Å; F217-L259 WeakPolarHBondContact CA-O 3.44Å; F217-L259 HydrophobicContact CD2-CB 3.83Å; F217-L259 HydrophobicContact CD2-CD1 4.27Å; F217-L259 HydrophobicContact CE2-CB 4.43Å; F217-H261 HydrophobicContact CE1-CB 3.74Å; F217-H261 HydrophobicContact CE2-CB 4.38Å; F217-H261 HydrophobicContact CZ-CB 3.45Å; F217-H261 VanDerWaalsContact CZ-CB 3.45Å
218Y96.1Very high92.3Very high23 Ų2352.5 Ų52.59%0.0925%0.252CS..EExtended strand (participates in β ladder)trans-104.2140.7175.7-68.4-79.4000111.5F207 L208 R209 I216 L229 V258 L259 I260 H261F207-Y218 HydrophobicContact CE1-CD1 4.2Å; F207-Y218 AromaticContact CZ-CD1 3.69Å; F207-Y218 HydrophobicContact CZ-CD1 3.69Å; F207-Y218 HydrophobicContact CZ-CE1 4.23Å; L208-Y218 WeakPolarHBondContact O-CA 3.41Å; R209-Y218 HydrophobicContact CB-CD1 4.14Å; R209-Y218 HydrophobicContact CB-CE1 4.08Å; R209-Y218 HydrophobicContact CG-CD1 4.1Å; R209-Y218 HydrophobicContact CG-CE1 3.67Å; R209-Y218 PolarHBondContact NE-OH 3.09Å; I216-Y218 HydrophobicContact CB-CE2 4.19Å; I216-Y218 HydrophobicContact CG2-CD2 3.95Å; I216-Y218 HydrophobicContact CG2-CE1 4.28Å; I216-Y218 HydrophobicContact CG2-CE2 3.36Å; Y218-L229 HydrophobicContact CD1-CD1 4.22Å; Y218-L229 HydrophobicContact CD1-CD2 3.83Å; Y218-L229 HydrophobicContact CD2-CD2 4.07Å; Y218-L229 HydrophobicContact CE1-CD2 3.89Å; Y218-L229 HydrophobicContact CE2-CD2 4.14Å; Y218-L229 HydrophobicContact CG-CD1 3.92Å; Y218-L229 HydrophobicContact CG-CD2 3.91Å; Y218-V258 HydrophobicContact CD2-CG1 3.8Å; Y218-V258 HydrophobicContact CE2-CG1 3.86Å; Y218-L259 PolarHBondContact N-O 2.71Å; Y218-I260 HydrophobicContact CD2-CG1 4.46Å; Y218-I260 WeakPolarHBondContact O-CA 3.37Å; Y218-H261 PolarHBondContact O-N 3.05Å
219R94.2Very high92.3Very high15 Ų1551.9 Ų51.96%0.05725%0.249CC..EExtended strand (participates in β ladder)trans-121.386.2168.1-177.5-177.8173.3-109.811.9109.2Y203 D204 E206 F207 L208 F217Y203-R219 PolarHBondContact O-NH1 2.85Å; Y203-R219 PolarHBondContact O-NH2 3.46Å; D204-R219 IonicContact OD1-NH2 2.65Å; E206-R219 PolarHBondContact O-NH1 3.35Å; F207-R219 WeakPolarHBondContact CA-O 3.48Å; L208-R219 HydrophobicContact CB-CB 4.17Å; L208-R219 PolarHBondContact N-O 3.48Å; L208-R219 VanDerWaalsContact N-O 3.16Å; L208-R219 PolarHBondContact O-N 2.97Å; F217-R219 HydrophobicContact CE1-CB 4.45Å
220P95Very high92.3Very high0 Ų046.7 Ų46.70%023%0.23CC..  trans-68.3155.317029.5-36.6000112.1F207 Q225 L226 L229 I260 H261 I265F207-P220 HydrophobicContact CD2-CB 4.34Å; F207-P220 HydrophobicContact CE2-CB 4.28Å; P220-Q225 HydrophobicContact CB-CB 3.8Å; P220-L226 HydrophobicContact CG-CB 4.26Å; P220-L229 HydrophobicContact CB-CD1 4.25Å; P220-L229 HydrophobicContact CG-CD1 4.24Å; P220-I260 HydrophobicContact CG-CG2 3.68Å; P220-H261 WeakPolarHBondContact CD-O 3.35Å; P220-I265 HydrophobicContact CG-CD1 4.11Å
221T91.7Very high92.2Very high31 Ų3149 Ų4919%0.1924%0.239CC..SBendtrans-116.6-6.2178.557.60000113.3E205 E206 Q225E205-T221 WeakPolarHBondContact O-CG2 3.5Å; E205-T221 PolarHBondContact O-OG1 2.88Å; E206-T221 VanDerWaalsContact C-CG2 3.49Å; E206-T221 VanDerWaalsContact O-CG2 3.28Å; E206-T221 WeakPolarHBondContact O-CG2 3.47Å; T221-Q225 PolarHBondContact OG1-OE1 2.86Å
222S93.8Very high92.3Very high40 Ų4048.3 Ų48.328%0.2824%0.243SC..SBendtrans-133.6156.517373.80000112.4Q224 Q225 L226S222-Q224 VanDerWaalsContact C-N 3.26Å; S222-Q224 PolarHBondContact O-N 3.16Å; S222-Q225 PolarHBondContact O-N 3.32Å; S222-Q225 WeakPolarHBondContact OG-CG 3.44Å; S222-Q225 PolarHBondContact OG-N 3.09Å; S222-L226 PolarHBondContact O-N 2.77Å
223L93.9Very high92.8Very high26 Ų2647.3 Ų47.314%0.13624%0.236CC..Hα-helixtrans-59.6-38.9174.5177.258.7000111.7Q225 L226 L227 I265 V367 L369L223-Q225 VanDerWaalsContact C-N 3.35Å; L223-Q225 PolarHBondContact O-N 3Å; L223-L226 HydrophobicContact CD1-CD2 4.33Å; L223-L226 WeakPolarHBondContact O-CB 3.5Å; L223-L226 PolarHBondContact O-N 3.49Å; L223-L226 VanDerWaalsContact O-N 3.16Å; L223-L227 HydrophobicContact CD1-CD1 4.27Å; L223-L227 HydrophobicContact CD1-CD2 4.41Å; L223-L227 HydrophobicContact CD1-CG 4.06Å; L223-L227 HydrophobicContact CG-CD1 4.06Å; L223-L227 HydrophobicContact CG-CG 4.31Å; L223-L227 WeakPolarHBondContact O-CG 3.49Å; L223-L227 PolarHBondContact O-N 3.3Å; L223-I265 HydrophobicContact CB-CG2 4.14Å; L223-V367 HydrophobicContact CD1-CG2 4.24Å; L223-L369 HydrophobicContact CD1-CD2 3.45Å; L223-L369 VanDerWaalsContact CD1-CD2 3.45Å; L223-L369 HydrophobicContact CD2-CD1 4.46Å; L223-L369 HydrophobicContact CD2-CD2 3.65Å; L223-L369 HydrophobicContact CG-CD2 4.2Å
224Q93.7Very high93.6Very high115 Ų11542.2 Ų42.254%0.53722%0.216SC..Hα-helixtrans-57.8-46.9178.4-175.564.326.400111.8S222 L226 L227 E228S222-Q224 VanDerWaalsContact C-N 3.26Å; S222-Q224 PolarHBondContact O-N 3.16Å; Q224-L226 VanDerWaalsContact C-N 3.33Å; Q224-L226 PolarHBondContact O-N 3.23Å; Q224-L227 PolarHBondContact O-N 3.09Å; Q224-E228 PolarHBondContact NE2-OE1 3.32Å; Q224-E228 WeakPolarHBondContact O-CG 3.32Å; Q224-E228 PolarHBondContact O-N 3.26Å
225Q95Very high94Very high54 Ų5442.6 Ų42.625%0.25223%0.229SC..Hα-helixtrans-63-39.8177-71.4168.7-9.800112F207 P220 T221 S222 L223 E228 L229F207-Q225 HydrophobicContact CD2-CG 4.44Å; F207-Q225 HydrophobicContact CE2-CB 4.48Å; P220-Q225 HydrophobicContact CB-CB 3.8Å; T221-Q225 PolarHBondContact OG1-OE1 2.86Å; S222-Q225 PolarHBondContact O-N 3.32Å; S222-Q225 WeakPolarHBondContact OG-CG 3.44Å; S222-Q225 PolarHBondContact OG-N 3.09Å; L223-Q225 VanDerWaalsContact C-N 3.35Å; L223-Q225 PolarHBondContact O-N 3Å; Q225-E228 PolarHBondContact O-N 3.25Å; Q225-L229 WeakPolarHBondContact O-CB 3.39Å; Q225-L229 VanDerWaalsContact O-CG 3.29Å; Q225-L229 WeakPolarHBondContact O-CG 3.39Å; Q225-L229 PolarHBondContact O-N 3.08Å
226L96Very high94.2Very high0 Ų042.2 Ų42.20%023%0.227CC..Hα-helixtrans-61.2-46175.8172.162.9000111.5P220 S222 L223 Q224 L229 K230 L238 I260 T262 I265 M268 V367P220-L226 HydrophobicContact CG-CB 4.26Å; S222-L226 PolarHBondContact O-N 2.77Å; L223-L226 HydrophobicContact CD1-CD2 4.33Å; L223-L226 WeakPolarHBondContact O-CB 3.5Å; L223-L226 PolarHBondContact O-N 3.49Å; L223-L226 VanDerWaalsContact O-N 3.16Å; Q224-L226 VanDerWaalsContact C-N 3.33Å; Q224-L226 PolarHBondContact O-N 3.23Å; L226-L229 PolarHBondContact O-N 2.64Å; L226-K230 HydrophobicContact CD1-CG 4.24Å; L226-K230 WeakPolarHBondContact O-CB 3.36Å; L226-K230 PolarHBondContact O-N 3.01Å; L226-L238 HydrophobicContact CD1-CD2 3.74Å; L226-I260 HydrophobicContact CD1-CB 4.45Å; L226-I260 HydrophobicContact CD1-CD1 4.49Å; L226-I260 HydrophobicContact CD1-CG2 3.61Å; L226-T262 HydrophobicContact CD2-CG2 4.45Å; L226-I265 HydrophobicContact CB-CD1 3.69Å; L226-I265 HydrophobicContact CD2-CD1 3.49Å; L226-I265 VanDerWaalsContact CD2-CD1 3.49Å; L226-I265 HydrophobicContact CG-CD1 4.09Å; L226-M268 HydrophobicContact CD2-CE 4.42Å; L226-M268 HydrophobicContact CD2-SD 3.62Å; L226-V367 HydrophobicContact CD1-CG1 4.5Å; L226-V367 HydrophobicContact CD2-CB 4.24Å; L226-V367 HydrophobicContact CD2-CG1 4.1Å; L226-V367 HydrophobicContact CD2-CG2 4.09Å; L226-V367 HydrophobicContact CG-CG1 4.14Å
227L95.3Very high94.1Very high12 Ų1245.8 Ų45.86%0.06324%0.241CC..Hα-helixtrans-65.4-40.2179.7-66175.6000111.6L223 Q224 K230 K231 V367L223-L227 HydrophobicContact CD1-CD1 4.27Å; L223-L227 HydrophobicContact CD1-CD2 4.41Å; L223-L227 HydrophobicContact CD1-CG 4.06Å; L223-L227 HydrophobicContact CG-CD1 4.06Å; L223-L227 HydrophobicContact CG-CG 4.31Å; L223-L227 WeakPolarHBondContact O-CG 3.49Å; L223-L227 PolarHBondContact O-N 3.3Å; Q224-L227 PolarHBondContact O-N 3.09Å; L227-K230 PolarHBondContact O-N 3.18Å; L227-K231 WeakPolarHBondContact O-CB 3.44Å; L227-K231 PolarHBondContact O-N 2.9Å; L227-V367 HydrophobicContact CD2-CG1 4.43Å; L227-V367 HydrophobicContact CD2-CG2 3.67Å
228E95.1Very high94.1Very high102 Ų10248 Ų4848%0.47725%0.253SS..Hα-helixtrans-61.9-45.2173.3-75.4170.4-16700111.7Q224 Q225 K230 K231 V232Q224-E228 PolarHBondContact NE2-OE1 3.32Å; Q224-E228 WeakPolarHBondContact O-CG 3.32Å; Q224-E228 PolarHBondContact O-N 3.26Å; Q225-E228 PolarHBondContact O-N 3.25Å; E228-K230 VanDerWaalsContact C-N 3.34Å; E228-K230 PolarHBondContact O-N 2.71Å; E228-K231 WeakPolarHBondContact O-CB 3.49Å; E228-K231 PolarHBondContact O-N 2.84Å; E228-V232 WeakPolarHBondContact O-CG2 3.24Å; E228-V232 PolarHBondContact O-N 2.94Å
229L95.5Very high93.9Very high19 Ų1947 Ų4710%0.09925%0.249CC..Hα-helixtrans-62.2-40.5175.4-74171.8000112.1F207 Y218 P220 Q225 L226 K231 V232 H233 I260F207-L229 HydrophobicContact CE2-CD1 4.02Å; F207-L229 HydrophobicContact CZ-CD1 4.31Å; Y218-L229 HydrophobicContact CD1-CD1 4.22Å; Y218-L229 HydrophobicContact CD1-CD2 3.83Å; Y218-L229 HydrophobicContact CD2-CD2 4.07Å; Y218-L229 HydrophobicContact CE1-CD2 3.89Å; Y218-L229 HydrophobicContact CE2-CD2 4.14Å; Y218-L229 HydrophobicContact CG-CD1 3.92Å; Y218-L229 HydrophobicContact CG-CD2 3.91Å; P220-L229 HydrophobicContact CB-CD1 4.25Å; P220-L229 HydrophobicContact CG-CD1 4.24Å; Q225-L229 WeakPolarHBondContact O-CB 3.39Å; Q225-L229 VanDerWaalsContact O-CG 3.29Å; Q225-L229 WeakPolarHBondContact O-CG 3.39Å; Q225-L229 PolarHBondContact O-N 3.08Å; L226-L229 PolarHBondContact O-N 2.64Å; L229-K231 VanDerWaalsContact C-N 3.32Å; L229-K231 PolarHBondContact O-N 3.5Å; L229-V232 PolarHBondContact O-N 3.15Å; L229-H233 WeakPolarHBondContact O-CB 3.37Å; L229-H233 PolarHBondContact O-N 3.15Å; L229-I260 HydrophobicContact CB-CD1 3.77Å; L229-I260 HydrophobicContact CD1-CG2 4.1Å
230K95Very high93.7Very high13 Ų1347.5 Ų47.56%0.05726%0.257CS..Hα-helixtrans-70.6-27.2177-80-70.3-66.4175.30113.2L226 L227 E228 H233 P234 A236 L238 I260 E364 V367L226-K230 HydrophobicContact CD1-CG 4.24Å; L226-K230 WeakPolarHBondContact O-CB 3.36Å; L226-K230 PolarHBondContact O-N 3.01Å; L227-K230 PolarHBondContact O-N 3.18Å; E228-K230 VanDerWaalsContact C-N 3.34Å; E228-K230 PolarHBondContact O-N 2.71Å; K230-H233 CarbonylContact O-C 3.54Å; K230-P234 PolarHBondContact NZ-O 3.21Å; K230-P234 VanDerWaalsContact O-CA 3.22Å; K230-P234 WeakPolarHBondContact O-CA 3.25Å; K230-P234 VanDerWaalsContact O-N 3.14Å; K230-A236 HydrophobicContact CD-CB 4.45Å; K230-A236 PolarHBondContact NZ-O 3.47Å; K230-L238 HydrophobicContact CD-CD2 4.04Å; K230-L238 HydrophobicContact CG-CD2 4.34Å; K230-I260 HydrophobicContact CD-CD1 4.16Å; K230-I260 HydrophobicContact CG-CD1 4.23Å; K230-E364 WeakPolarHBondContact CE-O 3.22Å; K230-E364 PolarHBondContact NZ-O 2.93Å; K230-V367 HydrophobicContact CB-CG1 4.39Å; K230-V367 HydrophobicContact CD-CG1 4.43Å; K230-V367 HydrophobicContact CG-CG1 3.71Å
231K92.2Very high93.4Very high121 Ų12147.9 Ų47.953%0.52626%0.261SS..Hα-helixtrans-68-42.4170.9-175.9178.8-171.8153.80111.9L227 E228 L229 D341L227-K231 WeakPolarHBondContact O-CB 3.44Å; L227-K231 PolarHBondContact O-N 2.9Å; E228-K231 WeakPolarHBondContact O-CB 3.49Å; E228-K231 PolarHBondContact O-N 2.84Å; L229-K231 VanDerWaalsContact C-N 3.32Å; L229-K231 PolarHBondContact O-N 3.5Å; K231-D341 WeakPolarHBondContact CD-OD2 3.14Å; K231-D341 WeakPolarHBondContact CE-OD2 3.35Å; K231-D341 IonicContact NZ-OD2 2.77Å; K231-D341 PolarHBondContact NZ-OD2 3.5Å
232V93.9Very high93.4Very high102 Ų10247 Ų4762%0.61826%0.255SS*.Hα-helixtrans-75.7-37.3178.81790000111.5E228 L229 P234E228-V232 WeakPolarHBondContact O-CG2 3.24Å; E228-V232 PolarHBondContact O-N 2.94Å; L229-V232 PolarHBondContact O-N 3.15Å; V232-P234 WeakPolarHBondContact O-CD 3.44Å
233H94.9Very high93.2Very high51 Ų5146.6 Ų46.624%0.23625%0.251CS..  trans-124.474.7-179.8-54-67.6000111.3L229 K230 A235 A236 V258L229-H233 WeakPolarHBondContact O-CB 3.37Å; L229-H233 PolarHBondContact O-N 3.15Å; K230-H233 CarbonylContact O-C 3.54Å; H233-A235 PolarHBondContact O-N 2.9Å; H233-A236 HydrophobicContact CB-CB 3.79Å; H233-A236 WeakPolarHBondContact O-CB 3.38Å; H233-A236 PolarHBondContact O-N 3.16Å; H233-V258 HydrophobicContact CB-CG1 4.31Å
234P92.8Very high92.8Very high37 Ų3748.5 Ų48.524%0.2426%0.259CS..THydrogen-bonded Turntrans-57.5-37.7180-24.534000112.8K230 V232 A236 E364 K365K230-P234 PolarHBondContact NZ-O 3.21Å; K230-P234 VanDerWaalsContact O-CA 3.22Å; K230-P234 WeakPolarHBondContact O-CA 3.25Å; K230-P234 VanDerWaalsContact O-N 3.14Å; V232-P234 WeakPolarHBondContact O-CD 3.44Å; P234-A236 PolarHBondContact O-N 3.39Å; P234-E364 HydrophobicContact CB-CB 4.02Å; P234-E364 VanDerWaalsContact O-O 3.05Å; P234-K365 HydrophobicContact CB-CG 4.34Å; P234-K365 HydrophobicContact CG-CG 4.47Å
235A91Very high92.4Very high79 Ų7944 Ų4465%0.65324%0.238SC*.THydrogen-bonded Turntrans-75.2-4.7177.800000114.6H233 K237H233-A235 PolarHBondContact O-N 2.9Å; A235-K237 PolarHBondContact O-N 2.83Å
236A93.8Very high91.7Very high6 Ų643.4 Ų43.45%0.0524%0.235CC..PPolyproline II helixtrans-60.6135.8-179.100000111.4K230 H233 P234 V258 I260K230-A236 HydrophobicContact CD-CB 4.45Å; K230-A236 PolarHBondContact NZ-O 3.47Å; H233-A236 HydrophobicContact CB-CB 3.79Å; H233-A236 WeakPolarHBondContact O-CB 3.38Å; H233-A236 PolarHBondContact O-N 3.16Å; P234-A236 PolarHBondContact O-N 3.39Å; A236-V258 WeakPolarHBondContact CA-O 3.32Å; A236-V258 HydrophobicContact CB-CB 3.93Å; A236-V258 HydrophobicContact CB-CG1 3.77Å; A236-I260 HydrophobicContact CB-CD1 3.59Å; A236-I260 HydrophobicContact CB-CG1 4.02Å
237K92.7Very high91Very high105 Ų10546.6 Ų46.646%0.45725%0.251SS..EExtended strand (participates in β ladder)trans-87.7132.9175.5-71.9-58.1-172.5-177.90110.6A235 I245 H256 V258 L259 I260A235-K237 PolarHBondContact O-N 2.83Å; K237-I245 HydrophobicContact CB-CD1 4.05Å; K237-H256 VanDerWaalsContact CG-CE1 3.45Å; K237-H256 WeakPolarHBondContact CG-CE1 3.34Å; K237-H256 VanDerWaalsContact CG-ND1 3.33Å; K237-H256 WeakPolarHBondContact CG-ND1 3.48Å; K237-V258 PolarHBondContact N-O 3.48Å; K237-V258 VanDerWaalsContact N-O 3.13Å; K237-L259 HydrophobicContact CB-CD2 3.96Å; K237-L259 WeakPolarHBondContact O-CA 3.32Å; K237-I260 PolarHBondContact O-N 3.32Å
238L94.1Very high90.1Very high56 Ų5647.6 Ų47.629%0.29326%0.256SS..EExtended strand (participates in β ladder)trans-82.3131.4173.2-56-174.5000109.2L226 K230 I245 I260 T262 V367L226-L238 HydrophobicContact CD1-CD2 3.74Å; K230-L238 HydrophobicContact CD-CD2 4.04Å; K230-L238 HydrophobicContact CG-CD2 4.34Å; L238-I245 WeakPolarHBondContact O-CD1 3.44Å; L238-I260 CarbonylContact C-O 3.57Å; L238-I260 WeakPolarHBondContact CA-O 3.42Å; L238-I260 HydrophobicContact CD2-CB 3.94Å; L238-I260 HydrophobicContact CD2-CD1 4.32Å; L238-I260 HydrophobicContact CD2-CG2 4.43Å; L238-T262 HydrophobicContact CB-CG2 4.05Å; L238-T262 HydrophobicContact CD1-CG2 4.36Å; L238-T262 HydrophobicContact CD2-CG2 4.28Å; L238-T262 HydrophobicContact CG-CG2 4.46Å; L238-V367 HydrophobicContact CD1-CB 4.13Å; L238-V367 HydrophobicContact CD1-CG1 3.95Å
239V92.8Very high89.3Confident3 Ų344.9 Ų44.92%0.01824%0.244CC..EExtended strand (participates in β ladder)trans-123.3132.7179.768.30000110.5F217 N242 I245 I260 H261 T262F217-V239 HydrophobicContact CE2-CG1 3.84Å; F217-V239 HydrophobicContact CZ-CG1 4.28Å; V239-N242 HydrophobicContact CG2-CB 3.76Å; V239-I245 HydrophobicContact CB-CD1 3.85Å; V239-I245 HydrophobicContact CG2-CD1 4Å; V239-I260 PolarHBondContact N-O 3.06Å; V239-H261 HydrophobicContact CG1-CB 4.12Å; V239-H261 VanDerWaalsContact O-CA 3.27Å; V239-H261 WeakPolarHBondContact O-CA 3.44Å; V239-H261 PolarHBondContact O-CD2 3.07Å; V239-H261 VanDerWaalsContact O-CD2 3.32Å; V239-T262 PolarHBondContact O-N 3.15Å; V239-T262 VanDerWaalsContact O-N 3.09Å
240A90Very high88.6Confident25 Ų2545.5 Ų45.521%0.20725%0.245CC..SBendtrans-122.8-71.4168.600000109.1H40 T311H40-A240 PolarHBondContact CE1-O 3.46Å; H40-A240 PolarHBondContact ND1-O 2.96Å; A240-T311 HydrophobicContact CB-CG2 3.65Å
241G87.9Confident87.7Confident9 Ų949.5 Ų49.59%0.09326%0.262CS..SBendtrans-87.8-14.3-17900000116.6T243 V309G241-T243 PolarHBondContact O-N 3.09Å; G241-T243 VanDerWaalsContact O-N 3.09Å; G241-V309 WeakPolarHBondContact CA-O 3.43Å; G241-V309 PolarHBondContact N-O 2.95Å
242N91.8Very high86.7Confident13 Ų1350.3 Ų50.37%0.0726%0.262CS..  trans56.118.4-175.8-162.840.9000116L35 P37 V239 E244 I245 F246L35-N242 WeakPolarHBondContact O-CB 3.01Å; L35-N242 PolarHBondContact O-ND2 3.01Å; P37-N242 HydrophobicContact CG-CB 4.1Å; P37-N242 WeakPolarHBondContact CG-ND2 3.26Å; V239-N242 HydrophobicContact CG2-CB 3.76Å; N242-E244 PolarHBondContact O-N 2.9Å; N242-I245 WeakPolarHBondContact OD1-CB 3.46Å; N242-F246 WeakPolarHBondContact O-CB 3.32Å; N242-F246 PolarHBondContact OD1-N 3.22Å
243T89Confident85.8Confident30 Ų3049.7 Ų49.718%0.18425%0.249CC..THydrogen-bonded Turntrans-78.1-3.1-174.659.40000114.6G241 I306 V309 A310G241-T243 PolarHBondContact O-N 3.09Å; G241-T243 VanDerWaalsContact O-N 3.09Å; T243-I306 HydrophobicContact CG2-CD1 4.15Å; T243-I306 HydrophobicContact CG2-CG2 4.15Å; T243-V309 HydrophobicContact CG2-CG2 3.66Å; T243-A310 HydrophobicContact CG2-CB 4.19Å
244E85.8Confident84.9Confident66 Ų6652.7 Ų52.731%0.30826%0.262SS..THydrogen-bonded Turntrans-131.3-39.4178.6-77.1-71.8-154.400113.3N242 F246 M247 D248 N318N242-E244 PolarHBondContact O-N 2.9Å; E244-F246 PolarHBondContact O-N 3.34Å; E244-M247 WeakPolarHBondContact O-CA 3.16Å; E244-M247 VanDerWaalsContact O-CB 3.25Å; E244-M247 WeakPolarHBondContact O-CB 3.33Å; E244-M247 PolarHBondContact O-N 3.25Å; E244-D248 PolarHBondContact O-N 3.05Å; E244-N318 PolarHBondContact OE1-ND2 3.32Å
245I85.1Confident84.1Confident21 Ų2155.2 Ų55.211%0.10827%0.266CS..Hα-helixtrans-57.9-41.6175.7-66.5175.9000110.5K237 L238 V239 N242 M247 D248 E249 L259K237-I245 HydrophobicContact CB-CD1 4.05Å; L238-I245 WeakPolarHBondContact O-CD1 3.44Å; V239-I245 HydrophobicContact CB-CD1 3.85Å; V239-I245 HydrophobicContact CG2-CD1 4Å; N242-I245 WeakPolarHBondContact OD1-CB 3.46Å; I245-M247 PolarHBondContact O-N 2.96Å; I245-D248 PolarHBondContact O-N 2.88Å; I245-D248 VanDerWaalsContact O-N 3.15Å; I245-E249 PolarHBondContact O-N 2.98Å; I245-E249 VanDerWaalsContact O-N 3.15Å; I245-L259 HydrophobicContact CD1-CD2 4.38Å; I245-L259 HydrophobicContact CG2-CD2 4.13Å
246F81.9Confident83.9Confident41 Ų4152.3 Ų52.318%0.1824%0.239CC..Hα-helixtrans-55.9-34.9171.8178.6-94.8000113.4C34 L35 N242 E244 E249 R250C34-F246 VanDerWaalsContact O-CE2 3.24Å; C34-F246 WeakPolarHBondContact O-CE2 3.28Å; C34-F246 WeakPolarHBondContact O-CZ 3.28Å; L35-F246 HydrophobicContact CD2-CB 4.05Å; L35-F246 HydrophobicContact CD2-CD1 3.17Å; L35-F246 HydrophobicContact CD2-CD2 4.35Å; L35-F246 HydrophobicContact CD2-CE1 3.61Å; L35-F246 HydrophobicContact CD2-CG 3.59Å; L35-F246 HydrophobicContact CD2-CZ 4.36Å; N242-F246 WeakPolarHBondContact O-CB 3.32Å; N242-F246 PolarHBondContact OD1-N 3.22Å; E244-F246 PolarHBondContact O-N 3.34Å; F246-E249 PolarHBondContact O-N 2.73Å; F246-R250 HydrophobicContact CD1-CB 4.27Å; F246-R250 HydrophobicContact CE1-CB 3.85Å; F246-R250 HydrophobicContact CE1-CG 3.99Å; F246-R250 HydrophobicContact CZ-CB 4.01Å; F246-R250 HydrophobicContact CZ-CG 3.94Å; F246-R250 VanDerWaalsContact O-CB 3.24Å; F246-R250 WeakPolarHBondContact O-CB 3.21Å; F246-R250 PolarHBondContact O-N 3.35Å
247M81.1Confident83.8Confident67 Ų6755.2 Ų55.233%0.3326%0.263SS..Hα-helixtrans-68-38.4-179.5-58.9-66.3-66.900111.1E244 I245 F251E244-M247 WeakPolarHBondContact O-CA 3.16Å; E244-M247 VanDerWaalsContact O-CB 3.25Å; E244-M247 WeakPolarHBondContact O-CB 3.33Å; E244-M247 PolarHBondContact O-N 3.25Å; I245-M247 PolarHBondContact O-N 2.96Å; M247-F251 HydrophobicContact CB-CD2 4.26Å; M247-F251 HydrophobicContact CE-CD2 3.58Å; M247-F251 HydrophobicContact CE-CE2 3.28Å; M247-F251 HydrophobicContact CE-CZ 4.22Å; M247-F251 WeakPolarHBondContact O-CB 3.44Å; M247-F251 WeakPolarHBondContact O-CD2 3.37Å; M247-F251 PolarHBondContact O-N 3.18Å; M247-F251 HydrophobicContact SD-CD2 4.06Å; M247-F251 HydrophobicContact SD-CE2 3.59Å; M247-F251 VanDerWaalsContact SD-CE2 3.59Å
248D76.7Confident83.9Confident33 Ų3351.1 Ų51.118%0.17625%0.247CC..Hα-helixtrans-65-44.6174.5-71.2-30.3000110.6E244 I245 R250 R252 Y253 F254E244-D248 PolarHBondContact O-N 3.05Å; I245-D248 PolarHBondContact O-N 2.88Å; I245-D248 VanDerWaalsContact O-N 3.15Å; D248-R250 PolarHBondContact O-N 3.47Å; D248-R252 CarbonylContact O-C 3.58Å; D248-R252 WeakPolarHBondContact O-CA 3.26Å; D248-R252 VanDerWaalsContact O-CB 3.23Å; D248-R252 WeakPolarHBondContact O-CB 3.36Å; D248-R252 PolarHBondContact O-N 3.2Å; D248-R252 WeakPolarHBondContact OD1-CD 3.32Å; D248-R252 IonicContact OD1-CZ 3.4Å; D248-R252 IonicContact OD1-NE 2.74Å; D248-R252 PolarHBondContact OD1-NE 3.09Å; D248-R252 IonicContact OD1-NH1 3.62Å; D248-R252 PolarHBondContact OD1-NH1 2.91Å; D248-Y253 PolarHBondContact O-N 3.41Å; D248-F254 PolarHBondContact O-N 3.31Å
249E77Confident83.9Confident46 Ų4649 Ų4922%0.21524%0.236CC..Hα-helixtrans-64.2-41.5177.2-68.1-17917100113I245 F246 F254I245-E249 PolarHBondContact O-N 2.98Å; I245-E249 VanDerWaalsContact O-N 3.15Å; F246-E249 PolarHBondContact O-N 2.73Å; E249-F254 VanDerWaalsContact CA-O 3.27Å; E249-F254 WeakPolarHBondContact CA-O 3.3Å; E249-F254 WeakPolarHBondContact CG-O 3.45Å
250R80.3Confident84Confident32 Ų3248.9 Ų48.912%0.12124%0.235CC..Hα-helixtrans-79.1-44.2-174.5-164.160163.8-164.90.8112.5F246 D248 E622 R625 E802F246-R250 HydrophobicContact CD1-CB 4.27Å; F246-R250 HydrophobicContact CE1-CB 3.85Å; F246-R250 HydrophobicContact CE1-CG 3.99Å; F246-R250 HydrophobicContact CZ-CB 4.01Å; F246-R250 HydrophobicContact CZ-CG 3.94Å; F246-R250 VanDerWaalsContact O-CB 3.24Å; F246-R250 WeakPolarHBondContact O-CB 3.21Å; F246-R250 PolarHBondContact O-N 3.35Å; D248-R250 PolarHBondContact O-N 3.47Å; R250-E622 IonicContact CZ-OE1 3.63Å; R250-E622 VanDerWaalsContact NH1-CD 3.26Å; R250-E622 IonicContact NH1-OE1 3.41Å; R250-E622 PolarHBondContact NH1-OE1 3.29Å; R250-E622 IonicContact NH1-OE2 2.71Å; R250-E622 PolarHBondContact NH1-OE2 2.93Å; R250-E622 VanDerWaalsContact NH1-OE2 3.09Å; R250-E622 IonicContact NH2-OE1 2.83Å; R250-E622 PolarHBondContact NH2-OE1 2.81Å; R250-R625 PolarHBondContact O-NH1 2.99Å; R250-E802 IonicContact CZ-OE1 3.71Å; R250-E802 IonicContact CZ-OE2 3.14Å; R250-E802 IonicContact NE-OE2 3.64Å; R250-E802 PolarHBondContact NE-OE2 3.02Å; R250-E802 IonicContact NH2-OE1 2.66Å; R250-E802 PolarHBondContact NH2-OE1 3.16Å; R250-E802 IonicContact NH2-OE2 3.92Å; R250-E802 PolarHBondContact NH2-OE2 2.75Å; R250-E802 VanDerWaalsContact NH2-OE2 3.11Å
251F76.5Confident84.2Confident97 Ų9748.7 Ų48.743%0.42523%0.23SC..Hα-helixtrans-105.4-19.7-170.4-60.4-75.7000114.3M247 F804M247-F251 HydrophobicContact CB-CD2 4.26Å; M247-F251 HydrophobicContact CE-CD2 3.58Å; M247-F251 HydrophobicContact CE-CE2 3.28Å; M247-F251 HydrophobicContact CE-CZ 4.22Å; M247-F251 WeakPolarHBondContact O-CB 3.44Å; M247-F251 WeakPolarHBondContact O-CD2 3.37Å; M247-F251 PolarHBondContact O-N 3.18Å; M247-F251 HydrophobicContact SD-CD2 4.06Å; M247-F251 HydrophobicContact SD-CE2 3.59Å; M247-F251 VanDerWaalsContact SD-CE2 3.59Å; F251-F804 HydrophobicContact CD1-CD1 4.18Å; F251-F804 HydrophobicContact CD1-CG 4.43Å; F251-F804 HydrophobicContact CE1-CB 4.22Å; F251-F804 AromaticContact CE1-CD1 3.68Å; F251-F804 HydrophobicContact CE1-CD1 3.68Å; F251-F804 HydrophobicContact CE1-CE1 4.37Å; F251-F804 HydrophobicContact CE1-CG 4.11Å
252R72.8Confident84.5Confident137 Ų13748.5 Ų48.552%0.51723%0.227SC..SBendtrans-107-1.1175.1-55-177.2173.9160.70.2113D248 F254D248-R252 CarbonylContact O-C 3.58Å; D248-R252 WeakPolarHBondContact O-CA 3.26Å; D248-R252 VanDerWaalsContact O-CB 3.23Å; D248-R252 WeakPolarHBondContact O-CB 3.36Å; D248-R252 PolarHBondContact O-N 3.2Å; D248-R252 WeakPolarHBondContact OD1-CD 3.32Å; D248-R252 IonicContact OD1-CZ 3.4Å; D248-R252 IonicContact OD1-NE 2.74Å; D248-R252 PolarHBondContact OD1-NE 3.09Å; D248-R252 IonicContact OD1-NH1 3.62Å; D248-R252 PolarHBondContact OD1-NH1 2.91Å; R252-F254 HydrophobicContact CB-CB 4.28Å; R252-F254 PolarHBondContact O-N 2.7Å; R252-F254 VanDerWaalsContact O-N 3.08Å
253Y74.8Confident84.3Confident90 Ų9049.4 Ų49.435%0.35324%0.239SC..  trans5328-176.4-52.1-90.6000112.3D248 R625D248-Y253 PolarHBondContact O-N 3.41Å; Y253-R625 HydrophobicContact CE1-CG 3.9Å
254F75.3Confident84.1Confident114 Ų11449 Ų4950%0.524%0.241SC..PPolyproline II helixtrans-103.5117-176.1-177.2-98.9000109.6D248 E249 R252 H256D248-F254 PolarHBondContact O-N 3.31Å; E249-F254 VanDerWaalsContact CA-O 3.27Å; E249-F254 WeakPolarHBondContact CA-O 3.3Å; E249-F254 WeakPolarHBondContact CG-O 3.45Å; R252-F254 HydrophobicContact CB-CB 4.28Å; R252-F254 PolarHBondContact O-N 2.7Å; R252-F254 VanDerWaalsContact O-N 3.08Å; F254-H256 AromaticContact CD1-CE1 3.87Å; F254-H256 AromaticContact CE1-CE1 3.48Å; F254-H256 VanDerWaalsContact CE1-CE1 3.48Å; F254-H256 WeakPolarHBondContact CE1-CE1 3.14Å; F254-H256 AromaticContact CE1-ND1 3.56Å
255R76.7Confident84.4Confident90 Ų9045.8 Ų45.834%0.3423%0.226SC..PPolyproline II helixtrans-100.9129.8178.1-158.3177.1-165.4173.95.5110.3N212 D214N212-R255 PolarHBondContact ND2-NH2 2.77Å; N212-R255 VanDerWaalsContact ND2-NH2 3.12Å; D214-R255 IonicContact OD2-NH1 3.02Å; D214-R255 PolarHBondContact OD2-NH1 3.48Å
256H86.9Confident84.6Confident18 Ų1852.4 Ų52.48%0.08325%0.254CS..PPolyproline II helixtrans-77127.7173.4-66.6-76.7000110.2C215 K237 F254 V258 L259C215-H256 PolarHBondContact SG-O 2.96Å; K237-H256 VanDerWaalsContact CG-CE1 3.45Å; K237-H256 WeakPolarHBondContact CG-CE1 3.34Å; K237-H256 VanDerWaalsContact CG-ND1 3.33Å; K237-H256 WeakPolarHBondContact CG-ND1 3.48Å; F254-H256 AromaticContact CD1-CE1 3.87Å; F254-H256 AromaticContact CE1-CE1 3.48Å; F254-H256 VanDerWaalsContact CE1-CE1 3.48Å; F254-H256 WeakPolarHBondContact CE1-CE1 3.14Å; F254-H256 AromaticContact CE1-ND1 3.56Å; H256-V258 VanDerWaalsContact C-N 3.3Å; H256-V258 PolarHBondContact O-N 3.01Å; H256-L259 HydrophobicContact CB-CD2 3.69Å; H256-L259 HydrophobicContact CB-CG 4.27Å
257A90.8Very high85Confident67 Ų6754.7 Ų54.755%0.55427%0.265SS*.SBendtrans-65-34179.700000113C215 I216C215-A257 WeakPolarHBondContact CA-O 3.39Å; I216-A257 PolarHBondContact N-O 3.36Å
258V94.6Very high85.7Confident18 Ų1851.7 Ų51.711%0.10925%0.25CS..EExtended strand (participates in β ladder)trans-134.2123.7179.7-173.30000110.7I216 Y218 H233 A236 K237 H256 I260I216-V258 WeakPolarHBondContact O-CA 3.21Å; Y218-V258 HydrophobicContact CD2-CG1 3.8Å; Y218-V258 HydrophobicContact CE2-CG1 3.86Å; H233-V258 HydrophobicContact CB-CG1 4.31Å; A236-V258 WeakPolarHBondContact CA-O 3.32Å; A236-V258 HydrophobicContact CB-CB 3.93Å; A236-V258 HydrophobicContact CB-CG1 3.77Å; K237-V258 PolarHBondContact N-O 3.48Å; K237-V258 VanDerWaalsContact N-O 3.13Å; H256-V258 VanDerWaalsContact C-N 3.3Å; H256-V258 PolarHBondContact O-N 3.01Å; V258-I260 HydrophobicContact CG1-CG1 4.33Å
259L94.4Very high86.3Confident13 Ų1352.6 Ų52.67%0.06826%0.259CS..EExtended strand (participates in β ladder)trans-114.4137.2172.9-64.5178.3000109.8I216 F217 Y218 K237 I245 H256I216-L259 PolarHBondContact O-N 2.92Å; F217-L259 CarbonylContact C-O 3.57Å; F217-L259 WeakPolarHBondContact CA-O 3.44Å; F217-L259 HydrophobicContact CD2-CB 3.83Å; F217-L259 HydrophobicContact CD2-CD1 4.27Å; F217-L259 HydrophobicContact CE2-CB 4.43Å; Y218-L259 PolarHBondContact N-O 2.71Å; K237-L259 HydrophobicContact CB-CD2 3.96Å; K237-L259 WeakPolarHBondContact O-CA 3.32Å; I245-L259 HydrophobicContact CD1-CD2 4.38Å; I245-L259 HydrophobicContact CG2-CD2 4.13Å; H256-L259 HydrophobicContact CB-CD2 3.69Å; H256-L259 HydrophobicContact CB-CG 4.27Å
260I95.6Very high87Confident0 Ų052.3 Ų52.30%026%0.259CS..EExtended strand (participates in β ladder)trans-125.4118.2177.6-52.3169.1000109.4Y218 P220 L226 L229 K230 A236 K237 L238 V239 V258Y218-I260 HydrophobicContact CD2-CG1 4.46Å; Y218-I260 WeakPolarHBondContact O-CA 3.37Å; P220-I260 HydrophobicContact CG-CG2 3.68Å; L226-I260 HydrophobicContact CD1-CB 4.45Å; L226-I260 HydrophobicContact CD1-CD1 4.49Å; L226-I260 HydrophobicContact CD1-CG2 3.61Å; L229-I260 HydrophobicContact CB-CD1 3.77Å; L229-I260 HydrophobicContact CD1-CG2 4.1Å; K230-I260 HydrophobicContact CD-CD1 4.16Å; K230-I260 HydrophobicContact CG-CD1 4.23Å; A236-I260 HydrophobicContact CB-CD1 3.59Å; A236-I260 HydrophobicContact CB-CG1 4.02Å; K237-I260 PolarHBondContact O-N 3.32Å; L238-I260 CarbonylContact C-O 3.57Å; L238-I260 WeakPolarHBondContact CA-O 3.42Å; L238-I260 HydrophobicContact CD2-CB 3.94Å; L238-I260 HydrophobicContact CD2-CD1 4.32Å; L238-I260 HydrophobicContact CD2-CG2 4.43Å; V239-I260 PolarHBondContact N-O 3.06Å; V258-I260 HydrophobicContact CG1-CG1 4.33Å
261H94.2Very high87.6Confident21 Ų2151.2 Ų51.210%0.09726%0.256CS..EExtended strand (participates in β ladder)trans-84.7126.6-179.8177.1-114.2000112.6H40 F217 Y218 P220 V239 G263H40-H261 AromaticContact CE1-CD2 3.74Å; H40-H261 AromaticContact NE2-CD2 3.81Å; F217-H261 HydrophobicContact CE1-CB 3.74Å; F217-H261 HydrophobicContact CE2-CB 4.38Å; F217-H261 HydrophobicContact CZ-CB 3.45Å; F217-H261 VanDerWaalsContact CZ-CB 3.45Å; Y218-H261 PolarHBondContact O-N 3.05Å; P220-H261 WeakPolarHBondContact CD-O 3.35Å; V239-H261 HydrophobicContact CG1-CB 4.12Å; V239-H261 VanDerWaalsContact O-CA 3.27Å; V239-H261 WeakPolarHBondContact O-CA 3.44Å; V239-H261 PolarHBondContact O-CD2 3.07Å; V239-H261 VanDerWaalsContact O-CD2 3.32Å; H261-G263 PolarHBondContact CE1-N 2.9Å
262T92.8Very high88.2Confident5 Ų549.9 Ų49.93%0.03125%0.25CS..  trans-98.1-5-172.363.40000114.2L226 L238 V239 G264 I265 M268 S284L226-T262 HydrophobicContact CD2-CG2 4.45Å; L238-T262 HydrophobicContact CB-CG2 4.05Å; L238-T262 HydrophobicContact CD1-CG2 4.36Å; L238-T262 HydrophobicContact CD2-CG2 4.28Å; L238-T262 HydrophobicContact CG-CG2 4.46Å; V239-T262 PolarHBondContact O-N 3.15Å; V239-T262 VanDerWaalsContact O-N 3.09Å; T262-G264 VanDerWaalsContact C-N 3.27Å; T262-G264 PolarHBondContact O-N 3.05Å; T262-I265 PolarHBondContact O-N 2.81Å; T262-M268 HydrophobicContact CG2-CE 3.9Å; T262-M268 HydrophobicContact CG2-SD 4.36Å; T262-S284 VanDerWaalsContact CB-OG 3.3Å; T262-S284 WeakPolarHBondContact CB-OG 3.26Å; T262-S284 PolarHBondContact O-OG 2.99Å; T262-S284 PolarHBondContact OG1-OG 3.46Å
263G87.3Confident89.1Confident32 Ų3247 Ų4733%0.3324%0.244SC..THydrogen-bonded Turntrans-65.3-23.7-17200000115.3H261 I265 S269H261-G263 PolarHBondContact CE1-N 2.9Å; G263-I265 VanDerWaalsContact C-N 3.35Å; G263-S269 PolarHBondContact O-OG 3.08Å
264G84.9Confident89.9Confident20 Ų2044.9 Ų44.921%0.20624%0.239CC..THydrogen-bonded Turntrans-82.3-5.7-179.600000115.1T262T262-G264 VanDerWaalsContact C-N 3.27Å; T262-G264 PolarHBondContact O-N 3.05Å
265I91.6Very high90.4Very high0 Ų044.1 Ų44.10%025%0.245CC..  trans-92.4114.9-171.9-58.5167.7000109.7P220 L223 L226 T262 G263 E267 M268 S269P220-I265 HydrophobicContact CG-CD1 4.11Å; L223-I265 HydrophobicContact CB-CG2 4.14Å; L226-I265 HydrophobicContact CB-CD1 3.69Å; L226-I265 HydrophobicContact CD2-CD1 3.49Å; L226-I265 VanDerWaalsContact CD2-CD1 3.49Å; L226-I265 HydrophobicContact CG-CD1 4.09Å; T262-I265 PolarHBondContact O-N 2.81Å; G263-I265 VanDerWaalsContact C-N 3.35Å; I265-E267 VanDerWaalsContact C-N 3.35Å; I265-E267 WeakPolarHBondContact CG2-OE2 3.33Å; I265-E267 PolarHBondContact O-N 3.11Å; I265-M268 HydrophobicContact CB-CB 4.32Å; I265-M268 HydrophobicContact CB-CG 4.24Å; I265-M268 HydrophobicContact CB-SD 4.14Å; I265-M268 HydrophobicContact CD1-SD 3.74Å; I265-M268 HydrophobicContact CG2-CB 4.36Å; I265-M268 HydrophobicContact CG2-CG 3.9Å; I265-M268 HydrophobicContact CG2-SD 4.08Å; I265-M268 PolarHBondContact O-N 3.33Å; I265-M268 VanDerWaalsContact O-N 3.09Å; I265-S269 PolarHBondContact O-N 2.87Å; I265-S269 PolarHBondContact O-OG 2.77Å
266K89.6Confident90.9Very high159 Ų15948.8 Ų48.869%0.69127%0.271SS*.G310 helixtrans-56.7-45.1-173.9-70.7-179.2-179.5173.40112.6M268 S269 I270K266-M268 PolarHBondContact O-N 3.15Å; K266-S269 PolarHBondContact O-N 2.98Å; K266-S269 VanDerWaalsContact O-N 3.08Å; K266-I270 WeakPolarHBondContact O-CG2 3.07Å
267E91.1Very high90.9Very high90 Ų9051.4 Ų51.442%0.42128%0.284SS..G310 helixtrans-61.4-27.1-178.4-62.286.3166.200112.9I265I265-E267 VanDerWaalsContact C-N 3.35Å; I265-E267 WeakPolarHBondContact CG2-OE2 3.33Å; I265-E267 PolarHBondContact O-N 3.11Å
268M94.8Very high90.9Very high3 Ų348.2 Ų48.22%0.01526%0.258CS..G310 helixtrans-93.4-9.8-179.8-59.8179.770.200112.8L226 T262 I265 K266 G282 S283 S284 A368 L369L226-M268 HydrophobicContact CD2-CE 4.42Å; L226-M268 HydrophobicContact CD2-SD 3.62Å; T262-M268 HydrophobicContact CG2-CE 3.9Å; T262-M268 HydrophobicContact CG2-SD 4.36Å; I265-M268 HydrophobicContact CB-CB 4.32Å; I265-M268 HydrophobicContact CB-CG 4.24Å; I265-M268 HydrophobicContact CB-SD 4.14Å; I265-M268 HydrophobicContact CD1-SD 3.74Å; I265-M268 HydrophobicContact CG2-CB 4.36Å; I265-M268 HydrophobicContact CG2-CG 3.9Å; I265-M268 HydrophobicContact CG2-SD 4.08Å; I265-M268 PolarHBondContact O-N 3.33Å; I265-M268 VanDerWaalsContact O-N 3.09Å; K266-M268 PolarHBondContact O-N 3.15Å; M268-G282 CarbonylContact O-C 3.52Å; M268-G282 WeakPolarHBondContact O-CA 2.92Å; M268-S283 PolarHBondContact O-N 2.83Å; M268-S284 WeakPolarHBondContact O-CA 3.06Å; M268-S284 WeakPolarHBondContact O-CB 3.27Å; M268-S284 PolarHBondContact O-N 2.89Å; M268-A368 VanDerWaalsContact CE-O 3.28Å; M268-A368 WeakPolarHBondContact CE-O 2.98Å; M268-L369 HydrophobicContact CG-CD2 4.42Å
269S91.2Very high90.8Very high53 Ų5347.5 Ų47.537%0.37125%0.253SS..SBendtrans-110.513.5-174.1-63.50000113.4G263 I265 K266 S284G263-S269 PolarHBondContact O-OG 3.08Å; I265-S269 PolarHBondContact O-N 2.87Å; I265-S269 PolarHBondContact O-OG 2.77Å; K266-S269 PolarHBondContact O-N 2.98Å; K266-S269 VanDerWaalsContact O-N 3.08Å; S269-S284 WeakPolarHBondContact OG-CB 3.07Å
270I91.5Very high90.9Very high39 Ų3947.5 Ų47.520%0.225%0.253CS..  trans-103.8150.2179.756.9164.9000113.1K266 K272 F280 G282K266-I270 WeakPolarHBondContact O-CG2 3.07Å; I270-K272 HydrophobicContact CD1-CD 4.47Å; I270-F280 HydrophobicContact CG1-CE1 4.39Å; I270-G282 WeakPolarHBondContact O-CA 3.45Å; I270-G282 PolarHBondContact O-N 3.43Å
271C91.4Very high90.9Very high9 Ų947.5 Ų47.56%0.06125%0.253CS..EExtended strand (participates in β ladder)trans-111.3134.5160-66.10000108.9Y18 F280 I281 F293Y18-C271 PolarHBondContact N-O 2.99Å; C271-F280 WeakPolarHBondContact CA-O 3.32Å; C271-I281 HydrophobicContact CB-CD1 4.38Å; C271-F293 HydrophobicContact CB-CD1 3.74Å; C271-F293 HydrophobicContact CB-CD2 3.78Å; C271-F293 HydrophobicContact CB-CE1 3.74Å; C271-F293 HydrophobicContact CB-CE2 3.78Å; C271-F293 HydrophobicContact CB-CG 3.75Å; C271-F293 HydrophobicContact CB-CZ 3.74Å
272K90.6Very high91Very high70 Ų7046.5 Ų46.530%0.30425%0.249SC..EExtended strand (participates in β ladder)trans-140.5150.7175.162175.4178.9179.90111.7I270 F280 W372I270-K272 HydrophobicContact CD1-CD 4.47Å; K272-F280 HydrophobicContact CD-CB 4.37Å; K272-F280 HydrophobicContact CD-CD1 4.46Å; K272-F280 HydrophobicContact CG-CB 3.59Å; K272-F280 HydrophobicContact CG-CD1 4.07Å; K272-F280 HydrophobicContact CG-CG 4.22Å; K272-F280 PolarHBondContact N-O 3.08Å; K272-F280 PolarHBondContact O-N 3.23Å; K272-W372 HydrophobicContact CD-CH2 4.39Å; K272-W372 HydrophobicContact CG-CH2 4.42Å
273I90.7Very high91.1Very high75 Ų7546.5 Ų46.539%0.38525%0.249SC..EExtended strand (participates in β ladder)trans-106.6128.3175.1-62.4170.2000108.2I279 F293 F375I273-I279 HydrophobicContact CG1-CG1 4.33Å; I273-F293 HydrophobicContact CD1-CZ 4.09Å; I273-F293 HydrophobicContact CG1-CE1 4.38Å; I273-F293 HydrophobicContact CG1-CZ 3.9Å; I273-F375 HydrophobicContact CG2-CZ 3.82Å
274D92Very high91.4Very high46 Ų4645.8 Ų45.825%0.24624%0.239CC..EExtended strand (participates in β ladder)trans-121.3123.6171.6-175.5-70.3000108.9Q276 M277 G278 W372 F375D274-Q276 PolarHBondContact O-N 2.79Å; D274-Q276 VanDerWaalsContact O-N 3.15Å; D274-Q276 WeakPolarHBondContact OD1-CA 3.27Å; D274-Q276 WeakPolarHBondContact OD1-CB 3.48Å; D274-Q276 PolarHBondContact OD1-N 2.94Å; D274-M277 HydrophobicContact CB-CB 4.05Å; D274-M277 PolarHBondContact OD1-N 3.14Å; D274-G278 PolarHBondContact N-O 3.3Å; D274-G278 CarbonylContact O-C 3.53Å; D274-G278 WeakPolarHBondContact O-CA 3.5Å; D274-G278 PolarHBondContact O-N 3.23Å; D274-W372 HydrophobicContact CB-CH2 3.53Å; D274-W372 HydrophobicContact CB-CZ3 3.54Å; D274-F375 WeakPolarHBondContact O-CE2 3.35Å
275P86.1Confident91.9Very high99 Ų9945.3 Ų45.364%0.64323%0.232SC*.THydrogen-bonded Turntrans-59.4-26.8-177.1-25.334.3000114.9
276Q87.9Confident91.9Very high188 Ų18845.7 Ų45.788%0.87923%0.234SC*.THydrogen-bonded Turntrans-94.8-42.9-177.5-61.9-176.81.600111.8D274D274-Q276 PolarHBondContact O-N 2.79Å; D274-Q276 VanDerWaalsContact O-N 3.15Å; D274-Q276 WeakPolarHBondContact OD1-CA 3.27Å; D274-Q276 WeakPolarHBondContact OD1-CB 3.48Å; D274-Q276 PolarHBondContact OD1-N 2.94Å
277M86.7Confident92Very high73 Ų7338.6 Ų38.636%0.3620%0.204SC..THydrogen-bonded Turntrans-89-26.4-174.9-69.1-116.759.300113.7D274 W372D274-M277 HydrophobicContact CB-CB 4.05Å; D274-M277 PolarHBondContact OD1-N 3.14Å; M277-W372 HydrophobicContact CB-CD2 3.92Å; M277-W372 HydrophobicContact CB-CE3 3.65Å; M277-W372 HydrophobicContact CB-CH2 3.95Å; M277-W372 HydrophobicContact CB-CZ2 4.2Å; M277-W372 HydrophobicContact CB-CZ3 3.67Å
278G90.2Very high91.9Very high0 Ų034.6 Ų34.60%019%0.186CC..EExtended strand (participates in β ladder)trans109.2-139.1-17700000113D274 W372 L373D274-G278 PolarHBondContact N-O 3.3Å; D274-G278 CarbonylContact O-C 3.53Å; D274-G278 WeakPolarHBondContact O-CA 3.5Å; D274-G278 PolarHBondContact O-N 3.23Å; G278-W372 WeakPolarHBondContact O-CZ3 3.41Å; G278-L373 CarbonylContact C-O 3.52Å; G278-L373 WeakPolarHBondContact CA-O 3.45Å
279I93.4Very high91.6Very high3 Ų337.4 Ų37.42%0.01520%0.201CC..EExtended strand (participates in β ladder)trans-108.5122.8-179.3-57.4-175.5000109.4L5 I273 I281 F293 L294 W372 L373 F375L5-I279 HydrophobicContact CD1-CD1 3.45Å; L5-I279 VanDerWaalsContact CD1-CD1 3.45Å; L5-I279 HydrophobicContact CD2-CD1 3.83Å; L5-I279 HydrophobicContact CG-CD1 4.27Å; I273-I279 HydrophobicContact CG1-CG1 4.33Å; I279-I281 HydrophobicContact CG2-CD1 3.75Å; I279-I281 HydrophobicContact CG2-CG1 4.35Å; I279-F293 HydrophobicContact CG2-CD1 4.43Å; I279-F293 HydrophobicContact CG2-CE1 3.68Å; I279-L294 HydrophobicContact CD1-CD2 3.66Å; I279-L294 HydrophobicContact CG2-CD2 4.19Å; I279-W372 CarbonylContact O-C 3.52Å; I279-W372 WeakPolarHBondContact O-CA 3.41Å; I279-L373 HydrophobicContact CB-CB 4.41Å; I279-L373 PolarHBondContact N-O 3.08Å; I279-L373 PolarHBondContact O-N 2.86Å; I279-F375 HydrophobicContact CD1-CE1 4.19Å; I279-F375 HydrophobicContact CG1-CE1 3.9Å; I279-F375 HydrophobicContact CG1-CZ 4.18Å
280F95.4Very high91.5Very high12 Ų1235.2 Ų35.25%0.05319%0.185CC..EExtended strand (participates in β ladder)trans-92.9127.3172.2-176.4-102.8000110.2I270 C271 K272 V337 L369 V371 W372I270-F280 HydrophobicContact CG1-CE1 4.39Å; C271-F280 WeakPolarHBondContact CA-O 3.32Å; K272-F280 HydrophobicContact CD-CB 4.37Å; K272-F280 HydrophobicContact CD-CD1 4.46Å; K272-F280 HydrophobicContact CG-CB 3.59Å; K272-F280 HydrophobicContact CG-CD1 4.07Å; K272-F280 HydrophobicContact CG-CG 4.22Å; K272-F280 PolarHBondContact N-O 3.08Å; K272-F280 PolarHBondContact O-N 3.23Å; F280-V337 HydrophobicContact CE2-CB 4.49Å; F280-V337 HydrophobicContact CE2-CG2 3.98Å; F280-L369 HydrophobicContact CZ-CB 4.48Å; F280-V371 WeakPolarHBondContact CA-O 3.25Å; F280-W372 HydrophobicContact CB-CD2 3.85Å; F280-W372 HydrophobicContact CB-CE3 3.66Å; F280-W372 HydrophobicContact CB-CH2 3.69Å; F280-W372 HydrophobicContact CB-CZ2 3.87Å; F280-W372 HydrophobicContact CB-CZ3 3.57Å; F280-W372 AromaticContact CD2-CD1 3.9Å; F280-W372 AromaticContact CD2-CD2 3.88Å; F280-W372 HydrophobicContact CD2-CD2 3.88Å; F280-W372 AromaticContact CD2-CE2 3.6Å; F280-W372 HydrophobicContact CD2-CG 4.07Å; F280-W372 HydrophobicContact CD2-CZ2 4.09Å; F280-W372 AromaticContact CD2-NE1 3.61Å; F280-W372 HydrophobicContact CG-CD2 4.36Å; F280-W372 HydrophobicContact CG-CH2 4.5Å; F280-W372 HydrophobicContact CG-CZ2 4.22Å
281I95.2Very high91.2Very high0 Ų034.1 Ų34.10%018%0.179CC..EExtended strand (participates in β ladder)trans-113.7114.8172.1-53.2-60.3000107.8C271 I279 V285 M290 F293 L312 G370 V371 L373C271-I281 HydrophobicContact CB-CD1 4.38Å; I279-I281 HydrophobicContact CG2-CD1 3.75Å; I279-I281 HydrophobicContact CG2-CG1 4.35Å; I281-V285 HydrophobicContact CG2-CB 3.99Å; I281-V285 HydrophobicContact CG2-CG1 4.16Å; I281-V285 HydrophobicContact CG2-CG2 4.48Å; I281-M290 HydrophobicContact CD1-CG 4.13Å; I281-M290 HydrophobicContact CG1-CG 4.33Å; I281-M290 HydrophobicContact CG2-CB 4.49Å; I281-M290 HydrophobicContact CG2-CG 4.24Å; I281-M290 HydrophobicContact CG2-SD 4.34Å; I281-F293 HydrophobicContact CD1-CD1 4.14Å; I281-F293 HydrophobicContact CD1-CE1 4.46Å; I281-L312 HydrophobicContact CB-CD2 4.24Å; I281-L312 HydrophobicContact CG1-CD2 4.48Å; I281-L312 HydrophobicContact CG2-CD2 4.3Å; I281-G370 CarbonylContact O-C 3.25Å; I281-G370 WeakPolarHBondContact O-CA 3.13Å; I281-V371 PolarHBondContact N-O 3.04Å; I281-V371 PolarHBondContact O-N 2.97Å; I281-L373 HydrophobicContact CG1-CD1 3.96Å; I281-L373 HydrophobicContact CG1-CG 4.5Å
282G96.1Very high90.9Very high1 Ų137.9 Ų37.91%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-62.2150.517700000112.8M268 I270 S284 V285M268-G282 CarbonylContact O-C 3.52Å; M268-G282 WeakPolarHBondContact O-CA 2.92Å; I270-G282 WeakPolarHBondContact O-CA 3.45Å; I270-G282 PolarHBondContact O-N 3.43Å; G282-S284 VanDerWaalsContact C-N 3.27Å; G282-S284 PolarHBondContact O-N 2.96Å; G282-V285 WeakPolarHBondContact O-CB 3.4Å; G282-V285 WeakPolarHBondContact O-CG2 3.45Å; G282-V285 PolarHBondContact O-N 3.05Å; G282-V285 VanDerWaalsContact O-N 3.13Å
283S95.6Very high90.7Very high5 Ų536.4 Ų36.44%0.03520%0.199CC..THydrogen-bonded Turntrans-68.2-19.4-171.8-680000116.2M268 T311 T313 A368 L369 G370M268-S283 PolarHBondContact O-N 2.83Å; S283-T311 VanDerWaalsContact O-CB 3.25Å; S283-T311 WeakPolarHBondContact O-CB 3.38Å; S283-T311 PolarHBondContact O-OG1 2.64Å; S283-T313 VanDerWaalsContact CA-OG1 3.31Å; S283-T313 WeakPolarHBondContact CA-OG1 3.09Å; S283-T313 WeakPolarHBondContact CB-OG1 3.41Å; S283-T313 WeakPolarHBondContact OG-CB 3.46Å; S283-T313 WeakPolarHBondContact OG-CG2 3.27Å; S283-T313 PolarHBondContact OG-OG1 3.46Å; S283-A368 VanDerWaalsContact CB-O 3.32Å; S283-A368 WeakPolarHBondContact CB-O 3.39Å; S283-A368 PolarHBondContact OG-O 3.06Å; S283-L369 PolarHBondContact N-O 3.34Å; S283-L369 PolarHBondContact OG-O 3.06Å; S283-G370 VanDerWaalsContact OG-CA 3.28Å; S283-G370 WeakPolarHBondContact OG-CA 3.39Å; S283-G370 PolarHBondContact OG-N 2.89Å
284S94.5Very high90.4Very high17 Ų1733.7 Ų33.712%0.11919%0.185CC..THydrogen-bonded Turntrans-94.9-3.5176.1-63.50000113.1T262 M268 S269 G282 S286T262-S284 VanDerWaalsContact CB-OG 3.3Å; T262-S284 WeakPolarHBondContact CB-OG 3.26Å; T262-S284 PolarHBondContact O-OG 2.99Å; T262-S284 PolarHBondContact OG1-OG 3.46Å; M268-S284 WeakPolarHBondContact O-CA 3.06Å; M268-S284 WeakPolarHBondContact O-CB 3.27Å; M268-S284 PolarHBondContact O-N 2.89Å; S269-S284 WeakPolarHBondContact OG-CB 3.07Å; G282-S284 VanDerWaalsContact C-N 3.27Å; G282-S284 PolarHBondContact O-N 2.96Å; S284-S286 PolarHBondContact O-N 3.29Å
285V93.8Very high89.7Confident10 Ų1040.3 Ų40.36%0.06122%0.215CC..  trans-69.2125.9176.7178.90000109.8I281 G282 D289 M290 T311I281-V285 HydrophobicContact CG2-CB 3.99Å; I281-V285 HydrophobicContact CG2-CG1 4.16Å; I281-V285 HydrophobicContact CG2-CG2 4.48Å; G282-V285 WeakPolarHBondContact O-CB 3.4Å; G282-V285 WeakPolarHBondContact O-CG2 3.45Å; G282-V285 PolarHBondContact O-N 3.05Å; G282-V285 VanDerWaalsContact O-N 3.13Å; V285-D289 HydrophobicContact CG1-CB 3.98Å; V285-M290 HydrophobicContact CG1-CB 4.26Å; V285-T311 WeakPolarHBondContact O-CA 3.26Å; V285-T311 VanDerWaalsContact O-CB 3.27Å; V285-T311 WeakPolarHBondContact O-CB 3.42Å; V285-T311 WeakPolarHBondContact O-CG2 3.39Å
286S92.6Very high88.6Confident7 Ų736.8 Ų36.85%0.04919%0.192CC..BIsolated β-bridgetrans-68155.1177.279.90000111.4S284 S288 D289 M290 A310S284-S286 PolarHBondContact O-N 3.29Å; S286-S288 PolarHBondContact O-N 2.98Å; S286-D289 WeakPolarHBondContact CB-OD2 3.38Å; S286-D289 PolarHBondContact O-N 2.94Å; S286-D289 PolarHBondContact OG-N 2.88Å; S286-D289 PolarHBondContact OG-OD2 2.98Å; S286-M290 WeakPolarHBondContact O-CB 3.33Å; S286-M290 PolarHBondContact O-N 3.39Å; S286-A310 CarbonylContact C-O 3.43Å; S286-A310 VanDerWaalsContact CA-O 3.31Å; S286-A310 WeakPolarHBondContact CA-O 3.42Å
287I91.4Very high87Confident10 Ų1031.2 Ų31.25%0.05118%0.178CC..Hα-helixtrans-60.8-35.2175.9-67.8170.5000110.5M290 Q291 L301 R307 A310 L325I287-M290 HydrophobicContact CG2-CE 4.25Å; I287-Q291 HydrophobicContact CG2-CG 4.44Å; I287-Q291 WeakPolarHBondContact O-CB 3.42Å; I287-Q291 VanDerWaalsContact O-CG 3.25Å; I287-Q291 WeakPolarHBondContact O-CG 3.3Å; I287-Q291 PolarHBondContact O-N 3.38Å; I287-L301 HydrophobicContact CG2-CD1 4.37Å; I287-R307 HydrophobicContact CB-CB 4.2Å; I287-R307 HydrophobicContact CB-CG 4.41Å; I287-R307 HydrophobicContact CG2-CB 4.15Å; I287-R307 HydrophobicContact CG2-CG 3.96Å; I287-R307 PolarHBondContact N-O 3.3Å; I287-A310 HydrophobicContact CD1-CB 3.93Å; I287-A310 WeakPolarHBondContact CG1-O 3.36Å; I287-A310 PolarHBondContact N-O 2.77Å; I287-L325 HydrophobicContact CD1-CD1 4.15Å
288S88.5Confident85.7Confident7 Ų728.4 Ų28.45%0.04916%0.164CC..Hα-helixtrans-64.2-43.2174.7-85.30000112.6S286 Q291 S292 K304 R307 N308S286-S288 PolarHBondContact O-N 2.98Å; S288-Q291 WeakPolarHBondContact O-CB 3.36Å; S288-Q291 PolarHBondContact O-N 3.47Å; S288-S292 PolarHBondContact O-N 3.03Å; S288-K304 PolarHBondContact OG-NZ 2.92Å; S288-K304 VanDerWaalsContact OG-NZ 3.14Å; S288-R307 PolarHBondContact N-O 2.94Å; S288-N308 WeakPolarHBondContact CB-OD1 3.44Å; S288-N308 PolarHBondContact OG-OD1 3.17Å
289D89.1Confident84.1Confident62 Ų6230.8 Ų30.833%0.33218%0.179SC..Hα-helixtrans-70.6-38.2179-59-42.5000110.7Y29 V285 S286 Q291 S292 F293Y29-D289 PolarHBondContact OH-OD1 3.31Å; V285-D289 HydrophobicContact CG1-CB 3.98Å; S286-D289 WeakPolarHBondContact CB-OD2 3.38Å; S286-D289 PolarHBondContact O-N 2.94Å; S286-D289 PolarHBondContact OG-N 2.88Å; S286-D289 PolarHBondContact OG-OD2 2.98Å; D289-Q291 VanDerWaalsContact C-N 3.35Å; D289-Q291 PolarHBondContact O-N 3.09Å; D289-S292 PolarHBondContact O-N 3.24Å; D289-F293 WeakPolarHBondContact O-CB 3.3Å; D289-F293 PolarHBondContact O-N 2.8Å
290M89.7Confident82.4Confident6 Ų634.3 Ų34.33%0.0320%0.196CC..Hα-helixtrans-59.3-44.4170.7-178.7-170.172.700111.5I281 V285 S286 I287 S292 F293 L294 L298 L312I281-M290 HydrophobicContact CD1-CG 4.13Å; I281-M290 HydrophobicContact CG1-CG 4.33Å; I281-M290 HydrophobicContact CG2-CB 4.49Å; I281-M290 HydrophobicContact CG2-CG 4.24Å; I281-M290 HydrophobicContact CG2-SD 4.34Å; V285-M290 HydrophobicContact CG1-CB 4.26Å; S286-M290 WeakPolarHBondContact O-CB 3.33Å; S286-M290 PolarHBondContact O-N 3.39Å; I287-M290 HydrophobicContact CG2-CE 4.25Å; M290-S292 VanDerWaalsContact C-N 3.35Å; M290-S292 PolarHBondContact O-N 3.11Å; M290-F293 PolarHBondContact O-N 3.2Å; M290-L294 HydrophobicContact CG-CD1 3.73Å; M290-L294 HydrophobicContact CG-CG 4.26Å; M290-L294 WeakPolarHBondContact O-CB 3.21Å; M290-L294 VanDerWaalsContact O-CG 3.31Å; M290-L294 WeakPolarHBondContact O-CG 3.15Å; M290-L294 PolarHBondContact O-N 2.65Å; M290-L294 HydrophobicContact SD-CD1 4.33Å; M290-L298 HydrophobicContact CE-CD1 3.64Å; M290-L312 HydrophobicContact SD-CB 4.1Å; M290-L312 HydrophobicContact SD-CD2 3.93Å; M290-L312 HydrophobicContact SD-CG 4.45Å
291Q84.8Confident80.8Confident17 Ų1734.5 Ų34.58%0.07920%0.197CC..Hα-helixtrans-59.8-45.4176.9-83.6174.6-10.800112I287 S288 D289 L294 Q295 S296 L298 R307I287-Q291 HydrophobicContact CG2-CG 4.44Å; I287-Q291 WeakPolarHBondContact O-CB 3.42Å; I287-Q291 VanDerWaalsContact O-CG 3.25Å; I287-Q291 WeakPolarHBondContact O-CG 3.3Å; I287-Q291 PolarHBondContact O-N 3.38Å; S288-Q291 WeakPolarHBondContact O-CB 3.36Å; S288-Q291 PolarHBondContact O-N 3.47Å; D289-Q291 VanDerWaalsContact C-N 3.35Å; D289-Q291 PolarHBondContact O-N 3.09Å; Q291-L294 PolarHBondContact O-N 3.06Å; Q291-Q295 WeakPolarHBondContact O-CA 3.47Å; Q291-Q295 PolarHBondContact O-N 3.45Å; Q291-S296 PolarHBondContact O-N 2.9Å; Q291-S296 VanDerWaalsContact O-N 3.16Å; Q291-L298 HydrophobicContact CG-CB 3.93Å; Q291-L298 HydrophobicContact CG-CD1 4.24Å; Q291-L298 PolarHBondContact NE2-O 2.84Å; Q291-R307 VanDerWaalsContact NE2-CD 3.27Å
292S84.7Confident79.3Confident87 Ų8736.4 Ų36.461%0.60821%0.21SC*.Hα-helixtrans-61.3-46.2176.8-172.10000111S288 D289 M290 Q295S288-S292 PolarHBondContact O-N 3.03Å; D289-S292 PolarHBondContact O-N 3.24Å; M290-S292 VanDerWaalsContact C-N 3.35Å; M290-S292 PolarHBondContact O-N 3.11Å; S292-Q295 PolarHBondContact O-N 3.13Å
293F86.4Confident78.2Confident40 Ų4036.4 Ų36.418%0.17521%0.21CC..Hα-helixtrans-63.8-43.2178.9-179.1-101.9000113.1Y18 C271 I273 I279 I281 D289 M290 Q295Y18-F293 HydrophobicContact CD1-CD2 4.11Å; Y18-F293 HydrophobicContact CD1-CE2 4.49Å; Y18-F293 HydrophobicContact CD2-CD2 4.31Å; Y18-F293 HydrophobicContact CD2-CE2 4.16Å; Y18-F293 AromaticContact CG-CD2 3.9Å; Y18-F293 HydrophobicContact CG-CD2 3.9Å; Y18-F293 AromaticContact CG-CE2 3.85Å; Y18-F293 HydrophobicContact CG-CE2 3.85Å; C271-F293 HydrophobicContact CB-CD1 3.74Å; C271-F293 HydrophobicContact CB-CD2 3.78Å; C271-F293 HydrophobicContact CB-CE1 3.74Å; C271-F293 HydrophobicContact CB-CE2 3.78Å; C271-F293 HydrophobicContact CB-CG 3.75Å; C271-F293 HydrophobicContact CB-CZ 3.74Å; I273-F293 HydrophobicContact CD1-CZ 4.09Å; I273-F293 HydrophobicContact CG1-CE1 4.38Å; I273-F293 HydrophobicContact CG1-CZ 3.9Å; I279-F293 HydrophobicContact CG2-CD1 4.43Å; I279-F293 HydrophobicContact CG2-CE1 3.68Å; I281-F293 HydrophobicContact CD1-CD1 4.14Å; I281-F293 HydrophobicContact CD1-CE1 4.46Å; D289-F293 WeakPolarHBondContact O-CB 3.3Å; D289-F293 PolarHBondContact O-N 2.8Å; M290-F293 PolarHBondContact O-N 3.2Å; F293-Q295 VanDerWaalsContact C-N 3.31Å
294L83.9Confident77.6Confident17 Ų1738.6 Ų38.69%0.08922%0.219CC..Hα-helixtrans-81.6-8179.9-64.3178.3000113.6L3 I279 M290 Q291 S296 L373L3-L294 HydrophobicContact CD2-CD1 4.19Å; I279-L294 HydrophobicContact CD1-CD2 3.66Å; I279-L294 HydrophobicContact CG2-CD2 4.19Å; M290-L294 HydrophobicContact CG-CD1 3.73Å; M290-L294 HydrophobicContact CG-CG 4.26Å; M290-L294 WeakPolarHBondContact O-CB 3.21Å; M290-L294 VanDerWaalsContact O-CG 3.31Å; M290-L294 WeakPolarHBondContact O-CG 3.15Å; M290-L294 PolarHBondContact O-N 2.65Å; M290-L294 HydrophobicContact SD-CD1 4.33Å; Q291-L294 PolarHBondContact O-N 3.06Å; L294-S296 PolarHBondContact O-N 2.8Å; L294-L373 HydrophobicContact CD1-CD1 4.48Å
295Q76.6Confident77.2Confident186 Ų18638.1 Ų38.187%0.86922%0.215SC*.THydrogen-bonded Turntrans48.641.8-169.7-61.1-179.6-8.400112.4Q291 S292 F293Q291-Q295 WeakPolarHBondContact O-CA 3.47Å; Q291-Q295 PolarHBondContact O-N 3.45Å; S292-Q295 PolarHBondContact O-N 3.13Å; F293-Q295 VanDerWaalsContact C-N 3.31Å
296S64.1Low76.9Confident25 Ų2538 Ų3818%0.17521%0.214CC..  trans-106.2140.4-169.776.10000113.5Q291 L294 L298Q291-S296 PolarHBondContact O-N 2.9Å; Q291-S296 VanDerWaalsContact O-N 3.16Å; L294-S296 PolarHBondContact O-N 2.8Å; S296-L298 PolarHBondContact O-N 2.86Å; S296-L298 WeakPolarHBondContact OG-CD1 3.38Å; S296-L298 WeakPolarHBondContact OG-CG 3.44Å
297A54Low76.7Confident70 Ų7037.7 Ų37.758%0.57921%0.212SC*.  trans-81.753.617500000112.9T299A297-T299 PolarHBondContact O-N 2.82Å
298L60Low76.6Confident14 Ų1437.9 Ų37.97%0.07321%0.213CC..  trans-76.445.1174.7-72.8170.4000111.8M1 M290 Q291 S296 E300 L301M1-L298 HydrophobicContact SD-CD2 4.19Å; M290-L298 HydrophobicContact CE-CD1 3.64Å; Q291-L298 HydrophobicContact CG-CB 3.93Å; Q291-L298 HydrophobicContact CG-CD1 4.24Å; Q291-L298 PolarHBondContact NE2-O 2.84Å; S296-L298 PolarHBondContact O-N 2.86Å; S296-L298 WeakPolarHBondContact OG-CD1 3.38Å; S296-L298 WeakPolarHBondContact OG-CG 3.44Å; L298-E300 PolarHBondContact O-N 3.1Å; L298-L301 HydrophobicContact CB-CD1 3.92Å; L298-L301 HydrophobicContact CD1-CD1 4.28Å; L298-L301 HydrophobicContact CD2-CD1 4.13Å; L298-L301 HydrophobicContact CG-CD1 4.35Å
299T56.8Low76.8Confident51 Ų5138.7 Ų38.731%0.31322%0.217SC..THydrogen-bonded Turntrans-74.6-19.9-166.652.40000114.6L102 Q105 A297 L301 R307L102-T299 HydrophobicContact CD1-CG2 3.58Å; Q105-T299 PolarHBondContact NE2-O 3.18Å; Q105-T299 VanDerWaalsContact NE2-O 3.16Å; Q105-T299 PolarHBondContact OE1-O 3.46Å; A297-T299 PolarHBondContact O-N 2.82Å; T299-L301 VanDerWaalsContact C-N 3.33Å; T299-R307 PolarHBondContact O-NH1 3.15Å
300E57.3Low76.9Confident77 Ų7736.1 Ų36.136%0.3621%0.205SC..THydrogen-bonded Turntrans-83.9-4.9-179.7-56.6173.6-172.400113.8M1 L298 S302 K386M1-E300 HydrophobicContact CE-CB 3.53Å; M1-E300 HydrophobicContact CE-CG 3.67Å; L298-E300 PolarHBondContact O-N 3.1Å; E300-S302 PolarHBondContact O-N 3.41Å; E300-K386 PolarHBondContact O-NZ 3.41Å
301L61Low77.1Confident15 Ų1536.3 Ų36.38%0.07921%0.207CC..SBendtrans-80.296.6178.9-68.9176.8000111.2I287 L298 T299 R307 D324 L325I287-L301 HydrophobicContact CG2-CD1 4.37Å; L298-L301 HydrophobicContact CB-CD1 3.92Å; L298-L301 HydrophobicContact CD1-CD1 4.28Å; L298-L301 HydrophobicContact CD2-CD1 4.13Å; L298-L301 HydrophobicContact CG-CD1 4.35Å; T299-L301 VanDerWaalsContact C-N 3.33Å; L301-R307 WeakPolarHBondContact O-CD 3.38Å; L301-R307 WeakPolarHBondContact O-CG 3.36Å; L301-R307 PolarHBondContact O-NH1 3.42Å; L301-D324 HydrophobicContact CD2-CB 3.27Å; L301-L325 HydrophobicContact CD1-CD1 4.36Å; L301-L325 HydrophobicContact CD1-CD2 3.56Å; L301-L325 HydrophobicContact CD1-CG 4.12Å; L301-L325 HydrophobicContact CD2-CD2 4.16Å; L301-L325 HydrophobicContact CD2-CG 4.17Å
302S65.2Low77.5Confident40 Ų4035.6 Ų35.628%0.2820%0.203SC..SBendtrans52.9-173.1177-60.40000113.9E300 R307E300-S302 PolarHBondContact O-N 3.41Å; S302-R307 PolarHBondContact O-NH1 3.26Å
303G72.9Confident78Confident1 Ų131.8 Ų31.81%0.0118%0.176CC..  trans-77.9158.3168.400000114.5Q105 H305 I306 R307 D393Q105-G303 VanDerWaalsContact O-CA 3.23Å; Q105-G303 WeakPolarHBondContact O-CA 3.29Å; G303-H305 PolarHBondContact O-N 2.84Å; G303-I306 PolarHBondContact O-N 2.67Å; G303-R307 PolarHBondContact O-N 2.85Å; G303-R307 VanDerWaalsContact O-N 3.1Å; G303-D393 PolarHBondContact N-OD1 3.18Å; G303-D393 VanDerWaalsContact N-OD1 3.1Å
304K81.9Confident78.3Confident51 Ų5131.8 Ų31.822%0.22219%0.188CC..Hα-helixtrans-52.4-38177.5-17463.3175174.50113.5G106 S288 I306 R307 N308G106-K304 VanDerWaalsContact CA-N 3.3Å; S288-K304 PolarHBondContact OG-NZ 2.92Å; S288-K304 VanDerWaalsContact OG-NZ 3.14Å; K304-I306 VanDerWaalsContact C-N 3.32Å; K304-I306 PolarHBondContact O-N 2.72Å; K304-R307 PolarHBondContact O-N 3.31Å; K304-N308 WeakPolarHBondContact CE-OD1 3.15Å; K304-N308 PolarHBondContact O-N 3.49Å; K304-N308 PolarHBondContact O-ND2 3.3Å; K304-N308 PolarHBondContact O-OD1 3.29Å
305H86.1Confident78.8Confident7 Ų733.2 Ų33.23%0.03220%0.195CC..Hα-helixtrans-62.6-39.1178.9-61.8177000112.5S30 N32 G106 C107 G303S30-H305 PolarHBondContact OG-CD2 2.87Å; S30-H305 PolarHBondContact OG-NE2 2.79Å; N32-H305 PolarHBondContact OD1-ND1 2.85Å; G106-H305 VanDerWaalsContact C-ND1 3.29Å; G106-H305 VanDerWaalsContact CA-CD2 3.47Å; G106-H305 WeakPolarHBondContact CA-CD2 3.23Å; G106-H305 PolarHBondContact O-ND1 3.4Å; G106-H305 VanDerWaalsContact O-ND1 3.1Å; C107-H305 PolarHBondContact N-CE1 2.83Å; G303-H305 PolarHBondContact O-N 2.84Å
306I87.3Confident79.6Confident8 Ų824.3 Ų24.34%0.04115%0.154CC..Hα-helixtrans-72.1-43.7177.2-62.6-59.2000109.9L35 R109 T243 G303 K304 N308 V309 A310L35-I306 HydrophobicContact CD1-CD1 3.52Å; R109-I306 VanDerWaalsContact NH1-CD1 3.26Å; T243-I306 HydrophobicContact CG2-CD1 4.15Å; T243-I306 HydrophobicContact CG2-CG2 4.15Å; G303-I306 PolarHBondContact O-N 2.67Å; K304-I306 VanDerWaalsContact C-N 3.32Å; K304-I306 PolarHBondContact O-N 2.72Å; I306-N308 PolarHBondContact O-N 2.75Å; I306-V309 WeakPolarHBondContact O-CG2 3.3Å; I306-V309 PolarHBondContact O-N 3.03Å; I306-V309 VanDerWaalsContact O-N 3.09Å; I306-A310 HydrophobicContact CG2-CB 4.1Å; I306-A310 VanDerWaalsContact O-CB 3.23Å; I306-A310 WeakPolarHBondContact O-CB 3.3Å; I306-A310 PolarHBondContact O-N 2.92Å
307R88.1Confident81Confident1 Ų125.7 Ų25.70%0.00416%0.161CC..Hα-helixtrans-62.4-29.6178-66.5-162.5-65.1-871.7113.8I287 S288 Q291 T299 L301 S302 G303 K304 V309I287-R307 HydrophobicContact CB-CB 4.2Å; I287-R307 HydrophobicContact CB-CG 4.41Å; I287-R307 HydrophobicContact CG2-CB 4.15Å; I287-R307 HydrophobicContact CG2-CG 3.96Å; I287-R307 PolarHBondContact N-O 3.3Å; S288-R307 PolarHBondContact N-O 2.94Å; Q291-R307 VanDerWaalsContact NE2-CD 3.27Å; T299-R307 PolarHBondContact O-NH1 3.15Å; L301-R307 WeakPolarHBondContact O-CD 3.38Å; L301-R307 WeakPolarHBondContact O-CG 3.36Å; L301-R307 PolarHBondContact O-NH1 3.42Å; S302-R307 PolarHBondContact O-NH1 3.26Å; G303-R307 PolarHBondContact O-N 2.85Å; G303-R307 VanDerWaalsContact O-N 3.1Å; K304-R307 PolarHBondContact O-N 3.31Å; R307-V309 PolarHBondContact O-N 3.32Å
308N90.4Very high82.8Confident14 Ų1423.8 Ų23.88%0.07514%0.141CC..THydrogen-bonded Turntrans-67.3-15.1176.7-71-15000113.4Y29 S30 S288 K304 I306Y29-N308 HydrophobicContact CD1-CB 4.27Å; S30-N308 PolarHBondContact N-ND2 2.96Å; S30-N308 PolarHBondContact O-ND2 3.23Å; S288-N308 WeakPolarHBondContact CB-OD1 3.44Å; S288-N308 PolarHBondContact OG-OD1 3.17Å; K304-N308 WeakPolarHBondContact CE-OD1 3.15Å; K304-N308 PolarHBondContact O-N 3.49Å; K304-N308 PolarHBondContact O-ND2 3.3Å; K304-N308 PolarHBondContact O-OD1 3.29Å; I306-N308 PolarHBondContact O-N 2.75Å
309V91.5Very high84.4Confident23 Ų2323.2 Ų23.214%0.13914%0.138CC..THydrogen-bonded Turntrans-127.7-34.7-177.1-59.30000113.4V31 M36 G241 T243 I306 R307V31-V309 HydrophobicContact CB-CG1 4.36Å; V31-V309 HydrophobicContact CG1-CG1 3.62Å; M36-V309 HydrophobicContact CE-CG1 3.59Å; G241-V309 WeakPolarHBondContact CA-O 3.43Å; G241-V309 PolarHBondContact N-O 2.95Å; T243-V309 HydrophobicContact CG2-CG2 3.66Å; I306-V309 WeakPolarHBondContact O-CG2 3.3Å; I306-V309 PolarHBondContact O-N 3.03Å; I306-V309 VanDerWaalsContact O-N 3.09Å; R307-V309 PolarHBondContact O-N 3.32Å
310A92.2Very high86.1Confident9 Ų921.5 Ų21.57%0.07413%0.129CC..  trans-65.8144.5177.700000110.6T243 S286 I287 I306T243-A310 HydrophobicContact CG2-CB 4.19Å; S286-A310 CarbonylContact C-O 3.43Å; S286-A310 VanDerWaalsContact CA-O 3.31Å; S286-A310 WeakPolarHBondContact CA-O 3.42Å; I287-A310 HydrophobicContact CD1-CB 3.93Å; I287-A310 WeakPolarHBondContact CG1-O 3.36Å; I287-A310 PolarHBondContact N-O 2.77Å; I306-A310 HydrophobicContact CG2-CB 4.1Å; I306-A310 VanDerWaalsContact O-CB 3.23Å; I306-A310 WeakPolarHBondContact O-CB 3.3Å; I306-A310 PolarHBondContact O-N 2.92Å
311T93.8Very high87.7Confident10 Ų1018.5 Ų18.56%0.06112%0.116CC..BIsolated β-bridgetrans-114.6154.9-179.672.80000111.3A240 S283 V285 G314 N315A240-T311 HydrophobicContact CB-CG2 3.65Å; S283-T311 VanDerWaalsContact O-CB 3.25Å; S283-T311 WeakPolarHBondContact O-CB 3.38Å; S283-T311 PolarHBondContact O-OG1 2.64Å; V285-T311 WeakPolarHBondContact O-CA 3.26Å; V285-T311 VanDerWaalsContact O-CB 3.27Å; V285-T311 WeakPolarHBondContact O-CB 3.42Å; V285-T311 WeakPolarHBondContact O-CG2 3.39Å; T311-G314 PolarHBondContact O-N 2.85Å; T311-G314 PolarHBondContact OG1-N 2.77Å; T311-N315 PolarHBondContact O-N 2.82Å; T311-N315 VanDerWaalsContact O-N 3.08Å
312L93.4Very high89.1Confident1 Ų120.4 Ų20.41%0.00513%0.125CC..Hα-helixtrans-58.9-48.4176.417261.8000111.2I281 M290 N315 I316 L325 M329 V371 L373I281-L312 HydrophobicContact CB-CD2 4.24Å; I281-L312 HydrophobicContact CG1-CD2 4.48Å; I281-L312 HydrophobicContact CG2-CD2 4.3Å; M290-L312 HydrophobicContact SD-CB 4.1Å; M290-L312 HydrophobicContact SD-CD2 3.93Å; M290-L312 HydrophobicContact SD-CG 4.45Å; L312-N315 WeakPolarHBondContact O-CB 3.45Å; L312-N315 PolarHBondContact O-N 3.26Å; L312-I316 HydrophobicContact CD1-CD1 3.99Å; L312-I316 HydrophobicContact CD1-CG1 4.39Å; L312-I316 HydrophobicContact CG-CD1 4Å; L312-I316 WeakPolarHBondContact O-CG1 3.37Å; L312-I316 PolarHBondContact O-N 3.01Å; L312-I316 VanDerWaalsContact O-N 3.08Å; L312-L325 HydrophobicContact CD1-CB 4.4Å; L312-L325 HydrophobicContact CD1-CD1 3.86Å; L312-M329 HydrophobicContact CD1-CE 3.71Å; L312-M329 HydrophobicContact CD1-SD 4.06Å; L312-M329 HydrophobicContact CD2-SD 4.5Å; L312-V371 HydrophobicContact CD2-CB 4.27Å; L312-L373 HydrophobicContact CD2-CD2 4.49Å
313T94.9Very high90.4Very high8 Ų818.8 Ų18.85%0.04911%0.114CC..Hα-helixtrans-65.3-41.8-179.4-60.70000111.6S283 N315 I316 V317 I336 A368S283-T313 VanDerWaalsContact CA-OG1 3.31Å; S283-T313 WeakPolarHBondContact CA-OG1 3.09Å; S283-T313 WeakPolarHBondContact CB-OG1 3.41Å; S283-T313 WeakPolarHBondContact OG-CB 3.46Å; S283-T313 WeakPolarHBondContact OG-CG2 3.27Å; S283-T313 PolarHBondContact OG-OG1 3.46Å; T313-N315 PolarHBondContact O-N 3.44Å; T313-I316 PolarHBondContact O-N 3.38Å; T313-I316 VanDerWaalsContact O-N 3.15Å; T313-V317 HydrophobicContact CG2-CG2 3.97Å; T313-V317 WeakPolarHBondContact O-CG2 3.43Å; T313-V317 PolarHBondContact O-N 2.87Å; T313-I336 HydrophobicContact CG2-CD1 4.27Å; T313-A368 HydrophobicContact CG2-CB 3.52Å
314G93.6Very high91.2Very high40 Ų4020 Ų2041%0.41212%0.12SC..Hα-helixtrans-59.5-36.2176.300000112.2T311 N318T311-G314 PolarHBondContact O-N 2.85Å; T311-G314 PolarHBondContact OG1-N 2.77Å; G314-N318 VanDerWaalsContact O-CB 3.26Å; G314-N318 WeakPolarHBondContact O-CB 3.31Å; G314-N318 PolarHBondContact O-N 3.02Å; G314-N318 VanDerWaalsContact O-N 3.08Å
315N93Very high91.7Very high46 Ų4617.8 Ų17.825%0.24611%0.111CC..Hα-helixtrans-66.9-43.1174.8-170.6-83.6000112.9T311 L312 T313 S323 L325T311-N315 PolarHBondContact O-N 2.82Å; T311-N315 VanDerWaalsContact O-N 3.08Å; L312-N315 WeakPolarHBondContact O-CB 3.45Å; L312-N315 PolarHBondContact O-N 3.26Å; T313-N315 PolarHBondContact O-N 3.44Å; N315-S323 PolarHBondContact OD1-OG 2.69Å; N315-L325 HydrophobicContact CB-CD1 4.11Å
316I94.5Very high92Very high0 Ų017.4 Ų17.40%011%0.109CC..Hα-helixtrans-63-51.7177.4-66.4164.3000110.9L312 T313 N318 A319 N326 M329 V349 F353 V371L312-I316 HydrophobicContact CD1-CD1 3.99Å; L312-I316 HydrophobicContact CD1-CG1 4.39Å; L312-I316 HydrophobicContact CG-CD1 4Å; L312-I316 WeakPolarHBondContact O-CG1 3.37Å; L312-I316 PolarHBondContact O-N 3.01Å; L312-I316 VanDerWaalsContact O-N 3.08Å; T313-I316 PolarHBondContact O-N 3.38Å; T313-I316 VanDerWaalsContact O-N 3.15Å; I316-N318 VanDerWaalsContact C-N 3.32Å; I316-N318 PolarHBondContact O-N 3.14Å; I316-A319 WeakPolarHBondContact O-CA 3.4Å; I316-A319 PolarHBondContact O-N 3.4Å; I316-N326 WeakPolarHBondContact CA-OD1 3.29Å; I316-M329 HydrophobicContact CD1-CG 3.75Å; I316-M329 HydrophobicContact CD1-SD 4.18Å; I316-M329 HydrophobicContact CG1-CG 3.95Å; I316-V349 HydrophobicContact CG2-CG1 4.44Å; I316-F353 HydrophobicContact CG2-CE1 3.7Å; I316-F353 HydrophobicContact CG2-CZ 4.35Å; I316-V371 HydrophobicContact CD1-CG1 4.48Å; I316-V371 HydrophobicContact CD1-CG2 3.81Å
317V94Very high92.4Very high54 Ų5417.1 Ų17.133%0.32711%0.108SC..Hα-helixtrans-69.2-29-175176.80000112.2T313 A319 I336 V360 I362T313-V317 HydrophobicContact CG2-CG2 3.97Å; T313-V317 WeakPolarHBondContact O-CG2 3.43Å; T313-V317 PolarHBondContact O-N 2.87Å; V317-A319 PolarHBondContact O-N 3.43Å; V317-I336 HydrophobicContact CG2-CD1 4.47Å; V317-V360 HydrophobicContact CG1-CG2 4.2Å; V317-I362 HydrophobicContact CG2-CD1 3.79Å
318N91.5Very high92.7Very high29 Ų2917.6 Ų17.616%0.15511%0.11CC..THydrogen-bonded Turntrans-62.2-22170.9177.849.9000112.4E244 G314 I316 S320 K358E244-N318 PolarHBondContact OE1-ND2 3.32Å; G314-N318 VanDerWaalsContact O-CB 3.26Å; G314-N318 WeakPolarHBondContact O-CB 3.31Å; G314-N318 PolarHBondContact O-N 3.02Å; G314-N318 VanDerWaalsContact O-N 3.08Å; I316-N318 VanDerWaalsContact C-N 3.32Å; I316-N318 PolarHBondContact O-N 3.14Å; N318-S320 PolarHBondContact O-N 3.32Å; N318-K358 WeakPolarHBondContact O-CG 3.28Å; N318-K358 PolarHBondContact OD1-NZ 2.95Å; N318-K358 VanDerWaalsContact OD1-NZ 3.09Å
319A93.4Very high92.8Very high2 Ų217.3 Ų17.32%0.01711%0.109CC..THydrogen-bonded Turntrans49.639.4173.400000113.8I316 V317 F354 V360I316-A319 WeakPolarHBondContact O-CA 3.4Å; I316-A319 PolarHBondContact O-N 3.4Å; V317-A319 PolarHBondContact O-N 3.43Å; A319-F354 HydrophobicContact CB-CD1 3.66Å; A319-F354 HydrophobicContact CB-CE1 3.98Å; A319-V360 HydrophobicContact CB-CG1 3.58Å
320S91.9Very high93Very high16 Ų1616.4 Ų16.411%0.11210%0.103CC..  trans-66.5131.6176.6-175.50000110N318 I322 S323N318-S320 PolarHBondContact O-N 3.32Å; S320-I322 PolarHBondContact O-N 3.39Å; S320-I322 WeakPolarHBondContact OG-CG1 3.39Å; S320-S323 WeakPolarHBondContact O-CB 3.4Å; S320-S323 PolarHBondContact O-N 3.01Å
321P92Very high93Very high14 Ų1416 Ų169%0.09110%0.099CC..THydrogen-bonded Turntrans-62.7-19.1-179.2-1119.5000113.7Y357 G419 G420 A422 A423P321-Y357 HydrophobicContact CG-CD2 3.66Å; P321-Y357 HydrophobicContact CG-CE2 3.55Å; P321-G419 CarbonylContact O-C 3.56Å; P321-G419 WeakPolarHBondContact O-CA 3.02Å; P321-G420 PolarHBondContact O-N 3.28Å; P321-A422 WeakPolarHBondContact CB-O 3.4Å; P321-A423 VanDerWaalsContact CG-O 3.3Å; P321-A423 WeakPolarHBondContact CG-O 3.32Å
322I90.3Very high92.8Very high55 Ų5517 Ų1728%0.28211%0.106SC..THydrogen-bonded Turntrans-111.417.1-176.550167.1000111.2S320 D324 I395 A396S320-I322 PolarHBondContact O-N 3.39Å; S320-I322 WeakPolarHBondContact OG-CG1 3.39Å; I322-D324 PolarHBondContact O-N 2.99Å; I322-I395 HydrophobicContact CB-CG2 4.12Å; I322-I395 HydrophobicContact CD1-CB 4.26Å; I322-I395 HydrophobicContact CD1-CD1 4.1Å; I322-I395 HydrophobicContact CD1-CG1 4.17Å; I322-I395 HydrophobicContact CD1-CG2 3.2Å; I322-I395 HydrophobicContact CG1-CG2 4.15Å; I322-I395 HydrophobicContact CG2-CG2 4.41Å; I322-A396 WeakPolarHBondContact CG2-O 3.43Å
323S92Very high92.5Very high5 Ų518.5 Ų18.54%0.03512%0.116CC..  trans-60.9132.7173166.80000110N315 S320 L325 N326 P327 N399N315-S323 PolarHBondContact OD1-OG 2.69Å; S320-S323 WeakPolarHBondContact O-CB 3.4Å; S320-S323 PolarHBondContact O-N 3.01Å; S323-L325 VanDerWaalsContact C-N 3.32Å; S323-L325 PolarHBondContact OG-N 2.84Å; S323-L325 VanDerWaalsContact OG-N 3.09Å; S323-N326 VanDerWaalsContact CB-CG 3.45Å; S323-N326 WeakPolarHBondContact CB-ND2 3.47Å; S323-N326 VanDerWaalsContact OG-CG 3.28Å; S323-N326 PolarHBondContact OG-N 3.41Å; S323-N326 PolarHBondContact OG-OD1 3.38Å; S323-P327 WeakPolarHBondContact O-CD 3.36Å; S323-N399 VanDerWaalsContact C-ND2 3.31Å; S323-N399 PolarHBondContact O-ND2 3.38Å
324D89.5Confident92.5Very high27 Ų2718.1 Ų18.114%0.14411%0.114CC..SBendtrans-76.7-19.1172.9-69.1-38.3000113L301 I322 K386 A396 N399L301-D324 HydrophobicContact CD2-CB 3.27Å; I322-D324 PolarHBondContact O-N 2.99Å; D324-K386 WeakPolarHBondContact OD1-CD 3.43Å; D324-K386 IonicContact OD1-NZ 2.87Å; D324-K386 IonicContact OD2-NZ 2.75Å; D324-K386 PolarHBondContact OD2-NZ 2.64Å; D324-A396 WeakPolarHBondContact OD1-CB 3.34Å; D324-N399 VanDerWaalsContact CA-ND2 3.31Å; D324-N399 WeakPolarHBondContact CA-ND2 3.27Å; D324-N399 PolarHBondContact N-ND2 2.81Å; D324-N399 PolarHBondContact OD1-ND2 2.86Å
325L91.6Very high92.7Very high4 Ų417.7 Ų17.72%0.02110%0.103CC..SBendtrans-96.2-32.1-178.2-66.2175000112.4I287 L301 L312 N315 S323 I328 M329I287-L325 HydrophobicContact CD1-CD1 4.15Å; L301-L325 HydrophobicContact CD1-CD1 4.36Å; L301-L325 HydrophobicContact CD1-CD2 3.56Å; L301-L325 HydrophobicContact CD1-CG 4.12Å; L301-L325 HydrophobicContact CD2-CD2 4.16Å; L301-L325 HydrophobicContact CD2-CG 4.17Å; L312-L325 HydrophobicContact CD1-CB 4.4Å; L312-L325 HydrophobicContact CD1-CD1 3.86Å; N315-L325 HydrophobicContact CB-CD1 4.11Å; S323-L325 VanDerWaalsContact C-N 3.32Å; S323-L325 PolarHBondContact OG-N 2.84Å; S323-L325 VanDerWaalsContact OG-N 3.09Å; L325-I328 HydrophobicContact CD2-CD1 4.21Å; L325-I328 WeakPolarHBondContact O-CA 3.24Å; L325-I328 VanDerWaalsContact O-CB 3.31Å; L325-I328 WeakPolarHBondContact O-CB 3.3Å; L325-I328 PolarHBondContact O-N 3.31Å; L325-M329 WeakPolarHBondContact O-CG 3.43Å; L325-M329 PolarHBondContact O-N 3.41Å
326N94.1Very high92.8Very high0 Ų015.5 Ų15.50%09%0.091CC..Hα-helixtrans-59.6-45.1-177.2-68.9-4.7000113I316 S323 I328 M329 V330 F354 T425I316-N326 WeakPolarHBondContact CA-OD1 3.29Å; S323-N326 VanDerWaalsContact CB-CG 3.45Å; S323-N326 WeakPolarHBondContact CB-ND2 3.47Å; S323-N326 VanDerWaalsContact OG-CG 3.28Å; S323-N326 PolarHBondContact OG-N 3.41Å; S323-N326 PolarHBondContact OG-OD1 3.38Å; N326-I328 PolarHBondContact O-N 3.02Å; N326-M329 PolarHBondContact O-N 2.62Å; N326-M329 VanDerWaalsContact O-N 3.11Å; N326-V330 WeakPolarHBondContact O-CG2 3.46Å; N326-V330 PolarHBondContact O-N 3.17Å; N326-F354 HydrophobicContact CB-CE1 4.48Å; N326-F354 HydrophobicContact CB-CE2 4.4Å; N326-F354 HydrophobicContact CB-CZ 3.84Å; N326-F354 WeakPolarHBondContact ND2-CE1 3.45Å; N326-T425 HydrophobicContact CB-CG2 4.1Å; N326-T425 VanDerWaalsContact CB-OG1 3.26Å; N326-T425 WeakPolarHBondContact CB-OG1 3.29Å
327P94.9Very high92.9Very high2 Ų216 Ų161%0.01310%0.095CC..Hα-helixtrans-56.9-38.1175.2-24.132.2000112.3S323 A331 N399 A401 T417 T425S323-P327 WeakPolarHBondContact O-CD 3.36Å; P327-A331 WeakPolarHBondContact O-CB 3.25Å; P327-A331 PolarHBondContact O-N 2.93Å; P327-N399 WeakPolarHBondContact CG-OD1 3.5Å; P327-A401 VanDerWaalsContact C-CB 3.44Å; P327-A401 HydrophobicContact CB-CB 3.88Å; P327-A401 VanDerWaalsContact O-CB 3.29Å; P327-A401 WeakPolarHBondContact O-CB 3.24Å; P327-T417 HydrophobicContact CB-CG2 4.08Å; P327-T425 HydrophobicContact CB-CG2 4.3Å; P327-T425 HydrophobicContact CG-CG2 3.98Å
328I93.6Very high93.1Very high10 Ų1013.5 Ų13.55%0.0518%0.079CC..Hα-helixtrans-64.6-47.8177-55.8175.8000110.1L325 N326 V330 A331 T332 F382 V384 A401L325-I328 HydrophobicContact CD2-CD1 4.21Å; L325-I328 WeakPolarHBondContact O-CA 3.24Å; L325-I328 VanDerWaalsContact O-CB 3.31Å; L325-I328 WeakPolarHBondContact O-CB 3.3Å; L325-I328 PolarHBondContact O-N 3.31Å; N326-I328 PolarHBondContact O-N 3.02Å; I328-V330 VanDerWaalsContact C-N 3.33Å; I328-V330 PolarHBondContact O-N 3.06Å; I328-A331 PolarHBondContact O-N 2.74Å; I328-T332 HydrophobicContact CG2-CG2 4.36Å; I328-T332 WeakPolarHBondContact O-CB 3.33Å; I328-T332 VanDerWaalsContact O-CG2 3.32Å; I328-T332 WeakPolarHBondContact O-CG2 3.49Å; I328-T332 PolarHBondContact O-N 3.15Å; I328-T332 PolarHBondContact O-OG1 2.91Å; I328-F382 HydrophobicContact CB-CZ 4.41Å; I328-F382 HydrophobicContact CG1-CZ 4.47Å; I328-F382 HydrophobicContact CG2-CE1 4.15Å; I328-F382 HydrophobicContact CG2-CZ 3.87Å; I328-V384 HydrophobicContact CD1-CG1 4.01Å; I328-V384 HydrophobicContact CD1-CG2 4.03Å; I328-V384 HydrophobicContact CG1-CG1 4.07Å; I328-V384 HydrophobicContact CG1-CG2 3.89Å; I328-A401 HydrophobicContact CG1-CB 4.36Å
329M94.1Very high93.2Very high9 Ų912.4 Ų12.44%0.0447%0.074CC..Hα-helixtrans-62.4-41.7-178.9-60.5-54.3123.600111.9L312 I316 L325 N326 T332 C333 A334 V349 L373L312-M329 HydrophobicContact CD1-CE 3.71Å; L312-M329 HydrophobicContact CD1-SD 4.06Å; L312-M329 HydrophobicContact CD2-SD 4.5Å; I316-M329 HydrophobicContact CD1-CG 3.75Å; I316-M329 HydrophobicContact CD1-SD 4.18Å; I316-M329 HydrophobicContact CG1-CG 3.95Å; L325-M329 WeakPolarHBondContact O-CG 3.43Å; L325-M329 PolarHBondContact O-N 3.41Å; N326-M329 PolarHBondContact O-N 2.62Å; N326-M329 VanDerWaalsContact O-N 3.11Å; M329-T332 PolarHBondContact O-OG1 3.21Å; M329-C333 WeakPolarHBondContact O-CA 3.01Å; M329-C333 PolarHBondContact O-N 3.42Å; M329-A334 HydrophobicContact CB-CB 4.21Å; M329-A334 PolarHBondContact O-N 3.37Å; M329-A334 HydrophobicContact SD-CB 3.94Å; M329-V349 HydrophobicContact CB-CB 4.27Å; M329-V349 HydrophobicContact CB-CG1 3.8Å; M329-L373 HydrophobicContact CE-CD2 4.18Å; M329-L373 HydrophobicContact SD-CD2 3.66Å
330V94.7Very high93.2Very high3 Ų313 Ų132%0.0188%0.078CC..Hα-helixtrans-67.8-50.1177.1172.30000111.5N326 I328 T332 C333 V349 F354 T417 T425 S427N326-V330 WeakPolarHBondContact O-CG2 3.46Å; N326-V330 PolarHBondContact O-N 3.17Å; I328-V330 VanDerWaalsContact C-N 3.33Å; I328-V330 PolarHBondContact O-N 3.06Å; V330-T332 VanDerWaalsContact C-N 3.3Å; V330-T332 PolarHBondContact O-N 2.76Å; V330-C333 PolarHBondContact O-N 3.16Å; V330-C333 PolarHBondContact O-SG 2.75Å; V330-V349 WeakPolarHBondContact CA-O 3.43Å; V330-V349 HydrophobicContact CG2-CG1 4.19Å; V330-F354 HydrophobicContact CG2-CD2 4.22Å; V330-F354 HydrophobicContact CG2-CE2 3.53Å; V330-T417 HydrophobicContact CB-CG2 3.84Å; V330-T417 HydrophobicContact CG1-CG2 3.66Å; V330-T425 HydrophobicContact CG2-CG2 4.15Å; V330-S427 WeakPolarHBondContact CG1-OG 3.4Å
331A92.8Very high93Very high0 Ų015.2 Ų15.20%09%0.088CC..Hα-helixtrans-62.3-38.4-178.600000112.3P327 I328 C333 F382 A401 M403P327-A331 WeakPolarHBondContact O-CB 3.25Å; P327-A331 PolarHBondContact O-N 2.93Å; I328-A331 PolarHBondContact O-N 2.74Å; A331-C333 VanDerWaalsContact C-N 3.33Å; A331-F382 HydrophobicContact CB-CE2 4Å; A331-A401 HydrophobicContact CB-CB 3.7Å; A331-M403 WeakPolarHBondContact O-CE 3.27Å
332T89.7Confident92.8Very high33 Ų3322.5 Ų22.520%0.20212%0.121CC..Hα-helixtrans-82.3-12.617759.60000113.4I328 M329 V330 P374 F382I328-T332 HydrophobicContact CG2-CG2 4.36Å; I328-T332 WeakPolarHBondContact O-CB 3.33Å; I328-T332 VanDerWaalsContact O-CG2 3.32Å; I328-T332 WeakPolarHBondContact O-CG2 3.49Å; I328-T332 PolarHBondContact O-N 3.15Å; I328-T332 PolarHBondContact O-OG1 2.91Å; M329-T332 PolarHBondContact O-OG1 3.21Å; V330-T332 VanDerWaalsContact C-N 3.3Å; V330-T332 PolarHBondContact O-N 2.76Å; T332-P374 VanDerWaalsContact O-CG 3.24Å; T332-P374 WeakPolarHBondContact O-CG 3.42Å; T332-F382 HydrophobicContact CG2-CE1 4.37Å; T332-F382 HydrophobicContact CG2-CE2 4.02Å; T332-F382 HydrophobicContact CG2-CZ 3.95Å
333C87Confident92.9Very high32 Ų3222.6 Ų22.622%0.21613%0.127CC..THydrogen-bonded Turntrans59.746.8-178.1-69.20000112.8M329 V330 A331 R348M329-C333 WeakPolarHBondContact O-CA 3.01Å; M329-C333 PolarHBondContact O-N 3.42Å; V330-C333 PolarHBondContact O-N 3.16Å; V330-C333 PolarHBondContact O-SG 2.75Å; A331-C333 VanDerWaalsContact C-N 3.33Å; C333-R348 HydrophobicContact CB-CG 4.29Å; C333-R348 PolarHBondContact SG-NE 2.98Å; C333-R348 PolarHBondContact SG-NH2 3.01Å
334A94.2Very high92.9Very high0 Ų027 Ų270%015%0.153CC..  trans-56.7153.6174.600000111.4M329 V349 V371 W372 L373M329-A334 HydrophobicContact CB-CB 4.21Å; M329-A334 PolarHBondContact O-N 3.37Å; M329-A334 HydrophobicContact SD-CB 3.94Å; A334-V349 PolarHBondContact O-N 2.85Å; A334-V371 HydrophobicContact CB-CG1 3.87Å; A334-W372 WeakPolarHBondContact CA-O 3.41Å; A334-L373 HydrophobicContact CB-CD2 4.08Å
335T97Very high93.2Very high31 Ų3129.7 Ų29.719%0.1916%0.161CC..EExtended strand (participates in β ladder)trans-117.1117.6-178.2-58.30000110Q346 R347 V371 W372T335-Q346 HydrophobicContact CG2-CB 3.68Å; T335-Q346 HydrophobicContact CG2-CG 4.22Å; T335-R347 CarbonylContact C-O 3.56Å; T335-R347 WeakPolarHBondContact CA-O 3.42Å; T335-V371 CarbonylContact O-C 3.55Å; T335-V371 WeakPolarHBondContact O-CA 3.37Å; T335-W372 PolarHBondContact N-O 3.06Å; T335-W372 PolarHBondContact O-N 3.41Å
336I96.6Very high93.3Very high0 Ų034.6 Ų34.60%018%0.184CC..EExtended strand (participates in β ladder)trans-85136.6173-165.7166.3000109.9T313 V317 L338 Q346 R347 V349 F353 I362 A368 V371T313-I336 HydrophobicContact CG2-CD1 4.27Å; V317-I336 HydrophobicContact CG2-CD1 4.47Å; I336-L338 HydrophobicContact CD1-CD2 4.21Å; I336-L338 HydrophobicContact CG1-CD2 4.08Å; I336-L338 HydrophobicContact CG2-CD2 4.21Å; I336-L338 HydrophobicContact CG2-CG 4.31Å; I336-Q346 WeakPolarHBondContact O-CA 3.45Å; I336-R347 HydrophobicContact CG2-CB 3.85Å; I336-R347 HydrophobicContact CG2-CG 4.47Å; I336-R347 WeakPolarHBondContact CG2-O 3.19Å; I336-R347 PolarHBondContact N-O 2.99Å; I336-R347 PolarHBondContact O-N 2.87Å; I336-V349 HydrophobicContact CB-CG2 4.2Å; I336-V349 HydrophobicContact CG2-CG2 4.27Å; I336-F353 HydrophobicContact CD1-CZ 4.45Å; I336-F353 HydrophobicContact CG2-CE2 3.99Å; I336-F353 HydrophobicContact CG2-CZ 4.3Å; I336-I362 HydrophobicContact CD1-CD1 4.33Å; I336-A368 HydrophobicContact CD1-CB 3.71Å; I336-A368 HydrophobicContact CG1-CB 4.03Å; I336-V371 HydrophobicContact CB-CG2 4.47Å; I336-V371 HydrophobicContact CG1-CG2 4.17Å
337V96.7Very high93.4Very high11 Ų1136.7 Ų36.77%0.06719%0.192CC..EExtended strand (participates in β ladder)trans-99.1115.4176.8-173.80000108.3F280 V344 Q346 A368 L369 G370F280-V337 HydrophobicContact CE2-CB 4.49Å; F280-V337 HydrophobicContact CE2-CG2 3.98Å; V337-V344 HydrophobicContact CG1-CG1 3.82Å; V337-Q346 HydrophobicContact CG2-CG 4.42Å; V337-A368 CarbonylContact O-C 3.56Å; V337-A368 WeakPolarHBondContact O-CA 3.49Å; V337-L369 HydrophobicContact CB-CB 4.43Å; V337-L369 HydrophobicContact CG1-CB 4.45Å; V337-L369 HydrophobicContact CG1-CD1 4.14Å; V337-L369 PolarHBondContact O-N 3.36Å; V337-G370 PolarHBondContact N-O 3.2Å
338L96.4Very high93.4Very high0 Ų042.9 Ų42.90%022%0.215CC..EExtended strand (participates in β ladder)trans-104139.5179.7-55.1176.8000109.3I336 V344 R345 R347 I362 V367 A368I336-L338 HydrophobicContact CD1-CD2 4.21Å; I336-L338 HydrophobicContact CG1-CD2 4.08Å; I336-L338 HydrophobicContact CG2-CD2 4.21Å; I336-L338 HydrophobicContact CG2-CG 4.31Å; L338-V344 CarbonylContact O-C 3.46Å; L338-V344 WeakPolarHBondContact O-CA 3.5Å; L338-R345 HydrophobicContact CB-CG 4.03Å; L338-R345 HydrophobicContact CD1-CG 4.45Å; L338-R345 PolarHBondContact N-O 3.39Å; L338-R345 PolarHBondContact O-N 2.9Å; L338-R345 VanDerWaalsContact O-O 3.12Å; L338-R347 HydrophobicContact CD1-CB 4.16Å; L338-I362 HydrophobicContact CD1-CG1 4.09Å; L338-I362 HydrophobicContact CD2-CD1 3.77Å; L338-I362 HydrophobicContact CD2-CG1 3.87Å; L338-I362 HydrophobicContact CD2-CG2 4.18Å; L338-V367 CarbonylContact C-O 3.53Å; L338-V367 WeakPolarHBondContact CA-O 3.16Å; L338-A368 HydrophobicContact CD2-CB 4.07Å
339C94.8Very high93.5Very high7 Ų742.4 Ų42.45%0.04721%0.213CC..EExtended strand (participates in β ladder)trans-134.3135.7-178.4-172.80000109.6S343 V344 E366 V367 L369C339-S343 WeakPolarHBondContact CA-O 3.42Å; C339-V344 HydrophobicContact CB-CG2 4.35Å; C339-E366 CarbonylContact O-C 3.53Å; C339-E366 WeakPolarHBondContact O-CA 3.23Å; C339-V367 HydrophobicContact CB-CG2 4.23Å; C339-V367 PolarHBondContact N-O 3.06Å; C339-V367 WeakPolarHBondContact O-CG2 3.16Å; C339-V367 PolarHBondContact O-N 2.79Å; C339-L369 HydrophobicContact CB-CD1 3.71Å; C339-L369 HydrophobicContact CB-CD2 4.12Å; C339-L369 HydrophobicContact CB-CG 3.73Å
340S93Very high93.4Very high15 Ų1543.6 Ų43.611%0.10522%0.219CC..  trans-121.6-179.2166.266.50000109.4Q342 S343S340-Q342 PolarHBondContact O-N 3.21Å; S340-Q342 PolarHBondContact OG-N 2.95Å; S340-S343 PolarHBondContact N-O 2.84Å; S340-S343 PolarHBondContact OG-N 3.18Å; S340-S343 PolarHBondContact OG-O 2.81Å; S340-S343 PolarHBondContact OG-OG 2.85Å
341D87.8Confident93.3Very high61 Ų6146 Ų4633%0.32623%0.232SC..SBendtrans-65.3-15.5172.468.6-40.7000113.2K231K231-D341 WeakPolarHBondContact CD-OD2 3.14Å; K231-D341 WeakPolarHBondContact CE-OD2 3.35Å; K231-D341 IonicContact NZ-OD2 2.77Å; K231-D341 PolarHBondContact NZ-OD2 3.5Å
342Q87.8Confident93.3Very high167 Ų16749.4 Ų49.478%0.7826%0.256SS*.SBendtrans-111.5-23.5-174.8-65.3-179.73.700114S340S340-Q342 PolarHBondContact O-N 3.21Å; S340-Q342 PolarHBondContact OG-N 2.95Å
343S91.5Very high93.6Very high57 Ų5747.9 Ų47.940%0.39925%0.246SC..  trans-156.4157-169.868.30000113.2C339 S340C339-S343 WeakPolarHBondContact CA-O 3.42Å; S340-S343 PolarHBondContact N-O 2.84Å; S340-S343 PolarHBondContact OG-N 3.18Å; S340-S343 PolarHBondContact OG-O 2.81Å; S340-S343 PolarHBondContact OG-OG 2.85Å
344V93.3Very high94Very high97 Ų9746.7 Ų46.759%0.58824%0.237SC*.EExtended strand (participates in β ladder)trans-119.3124.5165.1-179.40000106.9V337 L338 C339V337-V344 HydrophobicContact CG1-CG1 3.82Å; L338-V344 CarbonylContact O-C 3.46Å; L338-V344 WeakPolarHBondContact O-CA 3.5Å; C339-V344 HydrophobicContact CB-CG2 4.35Å
345R94.8Very high94Very high84 Ų8451.3 Ų51.332%0.31727%0.265SS..EExtended strand (participates in β ladder)trans-126.6153.217571.6172.8-1801313.1111.4L338 D361 E366L338-R345 HydrophobicContact CB-CG 4.03Å; L338-R345 HydrophobicContact CD1-CG 4.45Å; L338-R345 PolarHBondContact N-O 3.39Å; L338-R345 PolarHBondContact O-N 2.9Å; L338-R345 VanDerWaalsContact O-O 3.12Å; R345-D361 IonicContact NH2-OD1 3.69Å; R345-E366 WeakPolarHBondContact CD-OE1 3.39Å; R345-E366 IonicContact CZ-OE1 2.59Å; R345-E366 IonicContact CZ-OE2 2.96Å; R345-E366 IonicContact NE-OE1 3.28Å; R345-E366 PolarHBondContact NE-OE1 3.36Å; R345-E366 IonicContact NE-OE2 3.1Å; R345-E366 PolarHBondContact NE-OE2 2.97Å; R345-E366 IonicContact NH2-OE1 3.99Å; R345-E366 IonicContact NH2-OE2 2.57Å; R345-E366 PolarHBondContact NH2-OE2 2.7Å
346Q94.7Very high93.7Very high108 Ų10853.9 Ų53.951%0.50528%0.278SS..EExtended strand (participates in β ladder)trans-105.4135.1173.2-67.9-170.28.600109.2T335 I336 V337T335-Q346 HydrophobicContact CG2-CB 3.68Å; T335-Q346 HydrophobicContact CG2-CG 4.22Å; I336-Q346 WeakPolarHBondContact O-CA 3.45Å; V337-Q346 HydrophobicContact CG2-CG 4.42Å
347R95.5Very high93.4Very high43 Ų4359.4 Ų59.416%0.16230%0.3CS..EExtended strand (participates in β ladder)trans-126.2129.3177-178.658.4173.9109.9-14.2109.6T335 I336 L338 D350 S352 F353 D361T335-R347 CarbonylContact C-O 3.56Å; T335-R347 WeakPolarHBondContact CA-O 3.42Å; I336-R347 HydrophobicContact CG2-CB 3.85Å; I336-R347 HydrophobicContact CG2-CG 4.47Å; I336-R347 WeakPolarHBondContact CG2-O 3.19Å; I336-R347 PolarHBondContact N-O 2.99Å; I336-R347 PolarHBondContact O-N 2.87Å; L338-R347 HydrophobicContact CD1-CB 4.16Å; R347-D350 IonicContact NH1-OD1 2.94Å; R347-D350 PolarHBondContact NH1-OD1 3.49Å; R347-D350 IonicContact NH1-OD2 3.24Å; R347-D350 PolarHBondContact NH1-OD2 3.23Å; R347-D350 IonicContact NH2-OD1 2.76Å; R347-S352 PolarHBondContact NH2-OG 3.49Å; R347-F353 HydrophobicContact CG-CD2 3.73Å; R347-F353 HydrophobicContact CG-CE2 4.13Å; R347-D361 IonicContact CZ-OD2 3.25Å; R347-D361 IonicContact NE-OD2 3.83Å; R347-D361 PolarHBondContact NE-OD2 3.45Å; R347-D361 IonicContact NH2-OD2 3.53Å
348R95.4Very high93.1Very high132 Ų13261.3 Ų61.350%0.49831%0.307SS..EExtended strand (participates in β ladder)trans-71.4134172.6-166.8179.8-176.1153.16.7109.1C333 D350C333-R348 HydrophobicContact CB-CG 4.29Å; C333-R348 PolarHBondContact SG-NE 2.98Å; C333-R348 PolarHBondContact SG-NH2 3.01Å; R348-D350 PolarHBondContact O-N 2.95Å
349V95.1Very high92.9Very high0 Ų066 Ų660%033%0.331CS..  trans-82.196.3170.5-175.20000106.7I316 M329 V330 A334 I336 F353 F354I316-V349 HydrophobicContact CG2-CG1 4.44Å; M329-V349 HydrophobicContact CB-CB 4.27Å; M329-V349 HydrophobicContact CB-CG1 3.8Å; V330-V349 WeakPolarHBondContact CA-O 3.43Å; V330-V349 HydrophobicContact CG2-CG1 4.19Å; A334-V349 PolarHBondContact O-N 2.85Å; I336-V349 HydrophobicContact CB-CG2 4.2Å; I336-V349 HydrophobicContact CG2-CG2 4.27Å; V349-F353 HydrophobicContact CG1-CD1 4.04Å; V349-F354 HydrophobicContact CG1-CE2 3.94Å; V349-F354 HydrophobicContact CG1-CZ 3.99Å
350D93.4Very high92.9Very high34 Ų3467.1 Ų67.118%0.18234%0.337CS..SBendtrans-129.8-176.3177.458.436.1000109.7R347 R348 S352 F353R347-D350 IonicContact NH1-OD1 2.94Å; R347-D350 PolarHBondContact NH1-OD1 3.49Å; R347-D350 IonicContact NH1-OD2 3.24Å; R347-D350 PolarHBondContact NH1-OD2 3.23Å; R347-D350 IonicContact NH2-OD1 2.76Å; R348-D350 PolarHBondContact O-N 2.95Å; D350-S352 PolarHBondContact O-N 3.31Å; D350-S352 VanDerWaalsContact O-N 3.16Å; D350-S352 WeakPolarHBondContact OD1-CA 3.45Å; D350-S352 WeakPolarHBondContact OD1-CB 3.39Å; D350-S352 PolarHBondContact OD1-N 2.73Å; D350-S352 PolarHBondContact OD1-OG 3.45Å; D350-F353 VanDerWaalsContact O-CB 3.3Å; D350-F353 WeakPolarHBondContact O-CB 3.27Å; D350-F353 PolarHBondContact O-N 3.14Å; D350-F353 PolarHBondContact OD1-N 2.7Å
351D91.6Very high93Very high55 Ų5569 Ų6929%0.29435%0.345SS..G310 helixtrans-52.3-34.9177.4-69.7-110000113.9F353 R426 S427D351-F353 VanDerWaalsContact C-N 3.33Å; D351-R426 WeakPolarHBondContact OD1-CA 3.31Å; D351-S427 PolarHBondContact OD1-N 3.27Å; D351-S427 VanDerWaalsContact OD2-CB 3.22Å; D351-S427 WeakPolarHBondContact OD2-CB 3.34Å; D351-S427 PolarHBondContact OD2-OG 3.32Å
352S93.9Very high93.3Very high71 Ų7167.9 Ų67.950%0.49734%0.339SS..G310 helixtrans-80.8-13.2-178.5700000113.7R347 D350 F354R347-S352 PolarHBondContact NH2-OG 3.49Å; D350-S352 PolarHBondContact O-N 3.31Å; D350-S352 VanDerWaalsContact O-N 3.16Å; D350-S352 WeakPolarHBondContact OD1-CA 3.45Å; D350-S352 WeakPolarHBondContact OD1-CB 3.39Å; D350-S352 PolarHBondContact OD1-N 2.73Å; D350-S352 PolarHBondContact OD1-OG 3.45Å; S352-F354 VanDerWaalsContact C-N 3.32Å
353F95.5Very high93.5Very high0 Ų064.3 Ų64.30%033%0.326CS..G310 helixtrans-69.5-32.5173.4179.8-101.6000111.8I316 I336 R347 V349 D350 D351 V355 V360 D361 I362I316-F353 HydrophobicContact CG2-CE1 3.7Å; I316-F353 HydrophobicContact CG2-CZ 4.35Å; I336-F353 HydrophobicContact CD1-CZ 4.45Å; I336-F353 HydrophobicContact CG2-CE2 3.99Å; I336-F353 HydrophobicContact CG2-CZ 4.3Å; R347-F353 HydrophobicContact CG-CD2 3.73Å; R347-F353 HydrophobicContact CG-CE2 4.13Å; V349-F353 HydrophobicContact CG1-CD1 4.04Å; D350-F353 VanDerWaalsContact O-CB 3.3Å; D350-F353 WeakPolarHBondContact O-CB 3.27Å; D350-F353 PolarHBondContact O-N 3.14Å; D350-F353 PolarHBondContact OD1-N 2.7Å; D351-F353 VanDerWaalsContact C-N 3.33Å; F353-V355 PolarHBondContact O-N 3.43Å; F353-V360 HydrophobicContact CD1-CB 4.48Å; F353-V360 HydrophobicContact CD1-CG1 4.28Å; F353-V360 HydrophobicContact CE1-CB 3.87Å; F353-V360 HydrophobicContact CE1-CG1 3.69Å; F353-V360 HydrophobicContact CE2-CB 4.43Å; F353-V360 HydrophobicContact CZ-CB 3.86Å; F353-V360 HydrophobicContact CZ-CG1 4.15Å; F353-V360 HydrophobicContact CZ-CG2 4.47Å; F353-V360 CarbonylContact O-C 3.58Å; F353-V360 VanDerWaalsContact O-CA 3.28Å; F353-V360 WeakPolarHBondContact O-CA 3.47Å; F353-D361 HydrophobicContact CD2-CB 4.14Å; F353-D361 PolarHBondContact O-N 3.25Å; F353-I362 HydrophobicContact CE2-CD1 4.43Å; F353-I362 HydrophobicContact CE2-CG1 4.02Å; F353-I362 HydrophobicContact CZ-CD1 4.03Å; F353-I362 HydrophobicContact CZ-CG1 4.07Å
354F95.4Very high93.5Very high7 Ų767.6 Ų67.63%0.03134%0.335CS..EExtended strand (participates in β ladder)trans-91.588.7176.1-58.7-74000110A319 N326 V330 V349 S352 V360 T424A319-F354 HydrophobicContact CB-CD1 3.66Å; A319-F354 HydrophobicContact CB-CE1 3.98Å; N326-F354 HydrophobicContact CB-CE1 4.48Å; N326-F354 HydrophobicContact CB-CE2 4.4Å; N326-F354 HydrophobicContact CB-CZ 3.84Å; N326-F354 WeakPolarHBondContact ND2-CE1 3.45Å; V330-F354 HydrophobicContact CG2-CD2 4.22Å; V330-F354 HydrophobicContact CG2-CE2 3.53Å; V349-F354 HydrophobicContact CG1-CE2 3.94Å; V349-F354 HydrophobicContact CG1-CZ 3.99Å; S352-F354 VanDerWaalsContact C-N 3.32Å; F354-V360 HydrophobicContact CD1-CG1 4.19Å; F354-V360 HydrophobicContact CE1-CG1 4.42Å; F354-T424 HydrophobicContact CB-CG2 4.14Å
355V93.4Very high93.4Very high97 Ų9768 Ų6859%0.58833%0.328SS*.EExtended strand (participates in β ladder)trans-65.3-42.8-170.6-176.30000112F353 M359 D361F353-V355 PolarHBondContact O-N 3.43Å; V355-M359 HydrophobicContact CB-CB 4.46Å; V355-M359 PolarHBondContact N-O 3.39Å; V355-M359 VanDerWaalsContact N-O 3.07Å; V355-D361 HydrophobicContact CG2-CB 4.2Å
356D91.3Very high93.3Very high86 Ų8664.8 Ų64.846%0.4632%0.317SS..EExtended strand (participates in β ladder)trans-160-175178.2-152.9-21.7000109.6K358 M359 T424D356-K358 PolarHBondContact O-N 3.29Å; D356-M359 HydrophobicContact CB-CB 4.24Å; D356-M359 HydrophobicContact CB-CE 3.38Å; D356-M359 HydrophobicContact CB-CG 4.46Å; D356-M359 PolarHBondContact O-N 2.84Å; D356-T424 VanDerWaalsContact C-CG2 3.43Å; D356-T424 WeakPolarHBondContact O-CG2 3.35Å
357Y90.3Very high93.4Very high115 Ų11559.7 Ų59.745%0.45129%0.293SS..THydrogen-bonded Turntrans-50.9114.1176.6-179.2-99.5000111.9P321 M359P321-Y357 HydrophobicContact CG-CD2 3.66Å; P321-Y357 HydrophobicContact CG-CE2 3.55Å; Y357-M359 PolarHBondContact O-N 3.41Å
358K89.8Confident93.4Very high52 Ų5258 Ų5823%0.22629%0.289CS..THydrogen-bonded Turntrans55.826.3-176.6-63.8-162.1167.5-145.70114.7N318 D356N318-K358 WeakPolarHBondContact O-CG 3.28Å; N318-K358 PolarHBondContact OD1-NZ 2.95Å; N318-K358 VanDerWaalsContact OD1-NZ 3.09Å; D356-K358 PolarHBondContact O-N 3.29Å
359M93.2Very high93.4Very high99 Ų9952.9 Ų52.949%0.48827%0.271SS..EExtended strand (participates in β ladder)trans-119.9137.7176.5-62.2-153.5-7400111.2V355 D356 Y357V355-M359 HydrophobicContact CB-CB 4.46Å; V355-M359 PolarHBondContact N-O 3.39Å; V355-M359 VanDerWaalsContact N-O 3.07Å; D356-M359 HydrophobicContact CB-CB 4.24Å; D356-M359 HydrophobicContact CB-CE 3.38Å; D356-M359 HydrophobicContact CB-CG 4.46Å; D356-M359 PolarHBondContact O-N 2.84Å; Y357-M359 PolarHBondContact O-N 3.41Å
360V94.9Very high93.4Very high29 Ų2952.9 Ų52.918%0.17627%0.271CS..EExtended strand (participates in β ladder)trans-128.2156.5-178.5-63.40000111.8V317 A319 F353 F354 I362V317-V360 HydrophobicContact CG1-CG2 4.2Å; A319-V360 HydrophobicContact CB-CG1 3.58Å; F353-V360 HydrophobicContact CD1-CB 4.48Å; F353-V360 HydrophobicContact CD1-CG1 4.28Å; F353-V360 HydrophobicContact CE1-CB 3.87Å; F353-V360 HydrophobicContact CE1-CG1 3.69Å; F353-V360 HydrophobicContact CE2-CB 4.43Å; F353-V360 HydrophobicContact CZ-CB 3.86Å; F353-V360 HydrophobicContact CZ-CG1 4.15Å; F353-V360 HydrophobicContact CZ-CG2 4.47Å; F353-V360 CarbonylContact O-C 3.58Å; F353-V360 VanDerWaalsContact O-CA 3.28Å; F353-V360 WeakPolarHBondContact O-CA 3.47Å; F354-V360 HydrophobicContact CD1-CG1 4.19Å; F354-V360 HydrophobicContact CE1-CG1 4.42Å; V360-I362 HydrophobicContact CB-CG1 4.48Å; V360-I362 HydrophobicContact CG2-CB 4.11Å; V360-I362 HydrophobicContact CG2-CD1 3.9Å; V360-I362 HydrophobicContact CG2-CG1 3.84Å; V360-I362 PolarHBondContact O-N 3.11Å
361D95.2Very high93.5Very high54 Ų5451.2 Ų51.229%0.28926%0.262SS..SBendtrans-77.167.6173.817923.3000111.7R345 R347 F353 V355R345-D361 IonicContact NH2-OD1 3.69Å; R347-D361 IonicContact CZ-OD2 3.25Å; R347-D361 IonicContact NE-OD2 3.83Å; R347-D361 PolarHBondContact NE-OD2 3.45Å; R347-D361 IonicContact NH2-OD2 3.53Å; F353-D361 HydrophobicContact CD2-CB 4.14Å; F353-D361 PolarHBondContact O-N 3.25Å; V355-D361 HydrophobicContact CG2-CB 4.2Å
362I94.3Very high93.7Very high38 Ų3849.4 Ų49.420%0.19525%0.251CS..  trans-133.5127.9172.8-57.9-178.3000107.9V317 I336 L338 F353 V360 E366V317-I362 HydrophobicContact CG2-CD1 3.79Å; I336-I362 HydrophobicContact CD1-CD1 4.33Å; L338-I362 HydrophobicContact CD1-CG1 4.09Å; L338-I362 HydrophobicContact CD2-CD1 3.77Å; L338-I362 HydrophobicContact CD2-CG1 3.87Å; L338-I362 HydrophobicContact CD2-CG2 4.18Å; F353-I362 HydrophobicContact CE2-CD1 4.43Å; F353-I362 HydrophobicContact CE2-CG1 4.02Å; F353-I362 HydrophobicContact CZ-CD1 4.03Å; F353-I362 HydrophobicContact CZ-CG1 4.07Å; V360-I362 HydrophobicContact CB-CG1 4.48Å; V360-I362 HydrophobicContact CG2-CB 4.11Å; V360-I362 HydrophobicContact CG2-CD1 3.9Å; V360-I362 HydrophobicContact CG2-CG1 3.84Å; V360-I362 PolarHBondContact O-N 3.11Å; I362-E366 HydrophobicContact CG2-CB 3.81Å
363D92Very high93.7Very high92 Ų9247.1 Ų47.149%0.49223%0.233SC..  trans-70.1150.7176.5-178.5-90.6000111.3K365 E366D363-K365 PolarHBondContact O-N 2.9Å; D363-K365 VanDerWaalsContact O-N 3.1Å; D363-K365 WeakPolarHBondContact OD1-CB 3.35Å; D363-K365 PolarHBondContact OD1-N 2.97Å; D363-E366 HydrophobicContact CB-CB 4.41Å; D363-E366 HydrophobicContact CB-CG 3.96Å; D363-E366 PolarHBondContact N-OE2 2.94Å; D363-E366 WeakPolarHBondContact O-CB 3.32Å; D363-E366 PolarHBondContact O-N 3.45Å
364E90.2Very high93.5Very high127 Ų12750 Ų5059%0.59325%0.252SS*.THydrogen-bonded Turntrans-59-26.6-178.2-67.6-168.4163.800113.7K230 P234K230-E364 WeakPolarHBondContact CE-O 3.22Å; K230-E364 PolarHBondContact NZ-O 2.93Å; P234-E364 HydrophobicContact CB-CB 4.02Å; P234-E364 VanDerWaalsContact O-O 3.05Å
365K91.3Very high93.1Very high104 Ų10452.6 Ų52.645%0.45226%0.264SS..THydrogen-bonded Turntrans-87.6-11.9177.5-61.8175-175.8171.30113.2P234 D363P234-K365 HydrophobicContact CB-CG 4.34Å; P234-K365 HydrophobicContact CG-CG 4.47Å; D363-K365 PolarHBondContact O-N 2.9Å; D363-K365 VanDerWaalsContact O-N 3.1Å; D363-K365 WeakPolarHBondContact OD1-CB 3.35Å; D363-K365 PolarHBondContact OD1-N 2.97Å
366E93.9Very high92.7Very high17 Ų1750.9 Ų50.98%0.07926%0.256CS..  trans-82.3148.8179.2-71.1-179.9138.400111.6C339 R345 I362 D363C339-E366 CarbonylContact O-C 3.53Å; C339-E366 WeakPolarHBondContact O-CA 3.23Å; R345-E366 WeakPolarHBondContact CD-OE1 3.39Å; R345-E366 IonicContact CZ-OE1 2.59Å; R345-E366 IonicContact CZ-OE2 2.96Å; R345-E366 IonicContact NE-OE1 3.28Å; R345-E366 PolarHBondContact NE-OE1 3.36Å; R345-E366 IonicContact NE-OE2 3.1Å; R345-E366 PolarHBondContact NE-OE2 2.97Å; R345-E366 IonicContact NH2-OE1 3.99Å; R345-E366 IonicContact NH2-OE2 2.57Å; R345-E366 PolarHBondContact NH2-OE2 2.7Å; I362-E366 HydrophobicContact CG2-CB 3.81Å; D363-E366 HydrophobicContact CB-CB 4.41Å; D363-E366 HydrophobicContact CB-CG 3.96Å; D363-E366 PolarHBondContact N-OE2 2.94Å; D363-E366 WeakPolarHBondContact O-CB 3.32Å; D363-E366 PolarHBondContact O-N 3.45Å
367V95.4Very high92.5Very high1 Ų150 Ų501%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-122.7141.3168.9-54.70000109.3L223 L226 L227 K230 L238 L338 C339 L369L223-V367 HydrophobicContact CD1-CG2 4.24Å; L226-V367 HydrophobicContact CD1-CG1 4.5Å; L226-V367 HydrophobicContact CD2-CB 4.24Å; L226-V367 HydrophobicContact CD2-CG1 4.1Å; L226-V367 HydrophobicContact CD2-CG2 4.09Å; L226-V367 HydrophobicContact CG-CG1 4.14Å; L227-V367 HydrophobicContact CD2-CG1 4.43Å; L227-V367 HydrophobicContact CD2-CG2 3.67Å; K230-V367 HydrophobicContact CB-CG1 4.39Å; K230-V367 HydrophobicContact CD-CG1 4.43Å; K230-V367 HydrophobicContact CG-CG1 3.71Å; L238-V367 HydrophobicContact CD1-CB 4.13Å; L238-V367 HydrophobicContact CD1-CG1 3.95Å; L338-V367 CarbonylContact C-O 3.53Å; L338-V367 WeakPolarHBondContact CA-O 3.16Å; C339-V367 HydrophobicContact CB-CG2 4.23Å; C339-V367 PolarHBondContact N-O 3.06Å; C339-V367 WeakPolarHBondContact O-CG2 3.16Å; C339-V367 PolarHBondContact O-N 2.79Å; V367-L369 HydrophobicContact CG2-CD2 4.44Å
368A95.4Very high92.3Very high9 Ų952.5 Ų52.57%0.07427%0.267CS..EExtended strand (participates in β ladder)trans-80.4122.5170.800000109.3M268 S283 T313 I336 V337 L338M268-A368 VanDerWaalsContact CE-O 3.28Å; M268-A368 WeakPolarHBondContact CE-O 2.98Å; S283-A368 VanDerWaalsContact CB-O 3.32Å; S283-A368 WeakPolarHBondContact CB-O 3.39Å; S283-A368 PolarHBondContact OG-O 3.06Å; T313-A368 HydrophobicContact CG2-CB 3.52Å; I336-A368 HydrophobicContact CD1-CB 3.71Å; I336-A368 HydrophobicContact CG1-CB 4.03Å; V337-A368 CarbonylContact O-C 3.56Å; V337-A368 WeakPolarHBondContact O-CA 3.49Å; L338-A368 HydrophobicContact CD2-CB 4.07Å
369L95.5Very high92.3Very high23 Ų2352.3 Ų52.312%0.1227%0.27CS..EExtended strand (participates in β ladder)trans-81.2-37.7176.3-67.1179.6000112.1L223 M268 F280 S283 V337 C339 V367L223-L369 HydrophobicContact CD1-CD2 3.45Å; L223-L369 VanDerWaalsContact CD1-CD2 3.45Å; L223-L369 HydrophobicContact CD2-CD1 4.46Å; L223-L369 HydrophobicContact CD2-CD2 3.65Å; L223-L369 HydrophobicContact CG-CD2 4.2Å; M268-L369 HydrophobicContact CG-CD2 4.42Å; F280-L369 HydrophobicContact CZ-CB 4.48Å; S283-L369 PolarHBondContact N-O 3.34Å; S283-L369 PolarHBondContact OG-O 3.06Å; V337-L369 HydrophobicContact CB-CB 4.43Å; V337-L369 HydrophobicContact CG1-CB 4.45Å; V337-L369 HydrophobicContact CG1-CD1 4.14Å; V337-L369 PolarHBondContact O-N 3.36Å; C339-L369 HydrophobicContact CB-CD1 3.71Å; C339-L369 HydrophobicContact CB-CD2 4.12Å; C339-L369 HydrophobicContact CB-CG 3.73Å; V367-L369 HydrophobicContact CG2-CD2 4.44Å
370G95.5Very high92.2Very high0 Ų050.6 Ų50.60%026%0.26CS..EExtended strand (participates in β ladder)trans172.3-175.6-179.700000111.9I281 S283 V337I281-G370 CarbonylContact O-C 3.25Å; I281-G370 WeakPolarHBondContact O-CA 3.13Å; S283-G370 VanDerWaalsContact OG-CA 3.28Å; S283-G370 WeakPolarHBondContact OG-CA 3.39Å; S283-G370 PolarHBondContact OG-N 2.89Å; V337-G370 PolarHBondContact N-O 3.2Å
371V96.6Very high92Very high0 Ų050.3 Ų50.30%026%0.257CS..EExtended strand (participates in β ladder)trans-126.7130.9-175.2-177.20000109.6F280 I281 L312 I316 A334 T335 I336 L373F280-V371 WeakPolarHBondContact CA-O 3.25Å; I281-V371 PolarHBondContact N-O 3.04Å; I281-V371 PolarHBondContact O-N 2.97Å; L312-V371 HydrophobicContact CD2-CB 4.27Å; I316-V371 HydrophobicContact CD1-CG1 4.48Å; I316-V371 HydrophobicContact CD1-CG2 3.81Å; A334-V371 HydrophobicContact CB-CG1 3.87Å; T335-V371 CarbonylContact O-C 3.55Å; T335-V371 WeakPolarHBondContact O-CA 3.37Å; I336-V371 HydrophobicContact CB-CG2 4.47Å; I336-V371 HydrophobicContact CG1-CG2 4.17Å; V371-L373 HydrophobicContact CG1-CD2 4.09Å
372W95.7Very high91.8Very high17 Ų1749 Ų496%0.06425%0.248CC..EExtended strand (participates in β ladder)trans-87.3121.5167.7-73.5104.9000110.5K272 D274 M277 G278 I279 F280 A334 T335K272-W372 HydrophobicContact CD-CH2 4.39Å; K272-W372 HydrophobicContact CG-CH2 4.42Å; D274-W372 HydrophobicContact CB-CH2 3.53Å; D274-W372 HydrophobicContact CB-CZ3 3.54Å; M277-W372 HydrophobicContact CB-CD2 3.92Å; M277-W372 HydrophobicContact CB-CE3 3.65Å; M277-W372 HydrophobicContact CB-CH2 3.95Å; M277-W372 HydrophobicContact CB-CZ2 4.2Å; M277-W372 HydrophobicContact CB-CZ3 3.67Å; G278-W372 WeakPolarHBondContact O-CZ3 3.41Å; I279-W372 CarbonylContact O-C 3.52Å; I279-W372 WeakPolarHBondContact O-CA 3.41Å; F280-W372 HydrophobicContact CB-CD2 3.85Å; F280-W372 HydrophobicContact CB-CE3 3.66Å; F280-W372 HydrophobicContact CB-CH2 3.69Å; F280-W372 HydrophobicContact CB-CZ2 3.87Å; F280-W372 HydrophobicContact CB-CZ3 3.57Å; F280-W372 AromaticContact CD2-CD1 3.9Å; F280-W372 AromaticContact CD2-CD2 3.88Å; F280-W372 HydrophobicContact CD2-CD2 3.88Å; F280-W372 AromaticContact CD2-CE2 3.6Å; F280-W372 HydrophobicContact CD2-CG 4.07Å; F280-W372 HydrophobicContact CD2-CZ2 4.09Å; F280-W372 AromaticContact CD2-NE1 3.61Å; F280-W372 HydrophobicContact CG-CD2 4.36Å; F280-W372 HydrophobicContact CG-CH2 4.5Å; F280-W372 HydrophobicContact CG-CZ2 4.22Å; A334-W372 WeakPolarHBondContact CA-O 3.41Å; T335-W372 PolarHBondContact N-O 3.06Å; T335-W372 PolarHBondContact O-N 3.41Å
373L93Very high91.5Very high22 Ų2249.4 Ų49.412%0.11525%0.249CC..EExtended strand (participates in β ladder)trans-99118.1172.3-56.3179.3000108.7G278 I279 I281 L294 L312 M329 A334 V371G278-L373 CarbonylContact C-O 3.52Å; G278-L373 WeakPolarHBondContact CA-O 3.45Å; I279-L373 HydrophobicContact CB-CB 4.41Å; I279-L373 PolarHBondContact N-O 3.08Å; I279-L373 PolarHBondContact O-N 2.86Å; I281-L373 HydrophobicContact CG1-CD1 3.96Å; I281-L373 HydrophobicContact CG1-CG 4.5Å; L294-L373 HydrophobicContact CD1-CD1 4.48Å; L312-L373 HydrophobicContact CD2-CD2 4.49Å; M329-L373 HydrophobicContact CE-CD2 4.18Å; M329-L373 HydrophobicContact SD-CD2 3.66Å; A334-L373 HydrophobicContact CB-CD2 4.08Å; V371-L373 HydrophobicContact CG1-CD2 4.09Å
374P91Very high91.4Very high60 Ų6046.3 Ų46.339%0.3923%0.233SC..PPolyproline II helixtrans-73.1152.4-176.928.5-33.2000112T332T332-P374 VanDerWaalsContact O-CG 3.24Å; T332-P374 WeakPolarHBondContact O-CG 3.42Å
375F87.8Confident91.4Very high63 Ų6341.3 Ų41.328%0.27621%0.21SC..PPolyproline II helixtrans-70.5146.5170-69.6-58000112L5 I273 D274 I279L5-F375 HydrophobicContact CB-CD1 4.44Å; I273-F375 HydrophobicContact CG2-CZ 3.82Å; D274-F375 WeakPolarHBondContact O-CE2 3.35Å; I279-F375 HydrophobicContact CD1-CE1 4.19Å; I279-F375 HydrophobicContact CG1-CE1 3.9Å; I279-F375 HydrophobicContact CG1-CZ 4.18Å
376S85.1Confident91.4Very high61 Ų6137.9 Ų37.943%0.42720%0.195SC..PPolyproline II helixtrans-81.7159171.1-164.60000111.3K380S376-K380 WeakPolarHBondContact OG-CB 3.49Å
377T86.3Confident91.3Very high67 Ų6737.5 Ų37.541%0.41119%0.193SC..  trans-107162.1171.261.70000109.9T379 K380T377-T379 PolarHBondContact O-N 3.12Å; T377-T379 VanDerWaalsContact O-N 3.13Å; T377-T379 PolarHBondContact OG1-OG1 3.1Å; T377-K380 PolarHBondContact O-N 3.22Å; T377-K380 WeakPolarHBondContact OG1-CG 3.26Å; T377-K380 PolarHBondContact OG1-N 3.18Å
378K86Confident91.1Very high167 Ų16737.6 Ų37.673%0.72619%0.194SC*.THydrogen-bonded Turntrans-61.4-22.4177.2-60.2-165.2-165.8-158.40113.8Y6Y6-K378 VanDerWaalsContact OH-CD 3.32Å; Y6-K378 WeakPolarHBondContact OH-CD 3.43Å; Y6-K378 WeakPolarHBondContact OH-CE 3.38Å; Y6-K378 PolarHBondContact OH-NZ 2.87Å
379T90Very high90.8Very high49 Ų4938.3 Ų38.330%0.30120%0.196SC..THydrogen-bonded Turntrans-87.5-14.9179.358.60000112.9T377 H381 D405 L406T377-T379 PolarHBondContact O-N 3.12Å; T377-T379 VanDerWaalsContact O-N 3.13Å; T377-T379 PolarHBondContact OG1-OG1 3.1Å; T379-H381 PolarHBondContact O-CD2 3.37Å; T379-D405 WeakPolarHBondContact CB-OD1 3.11Å; T379-D405 WeakPolarHBondContact O-CA 3.17Å; T379-D405 PolarHBondContact OG1-OD1 2.98Å; T379-L406 WeakPolarHBondContact CB-O 3.26Å; T379-L406 PolarHBondContact O-N 3.41Å
380K90.9Very high90.2Very high63 Ų6337.8 Ų37.827%0.27419%0.192SC..EExtended strand (participates in β ladder)trans-89.9125178.2-79.6178.6-178.9-175.30110.4S376 T377 M403 V404 D405S376-K380 WeakPolarHBondContact OG-CB 3.49Å; T377-K380 PolarHBondContact O-N 3.22Å; T377-K380 WeakPolarHBondContact OG1-CG 3.26Å; T377-K380 PolarHBondContact OG1-N 3.18Å; K380-M403 HydrophobicContact CD-SD 4.36Å; K380-V404 CarbonylContact C-O 3.58Å; K380-V404 WeakPolarHBondContact CA-O 3.05Å; K380-D405 HydrophobicContact CG-CB 3.87Å
381H91.2Very high89.4Confident23 Ų2339.8 Ų39.811%0.10620%0.2CC..EExtended strand (participates in β ladder)trans-111.7128.4174.5-57.5-83.3000108.8T379 M403 V404 W484 I485T379-H381 PolarHBondContact O-CD2 3.37Å; H381-M403 CarbonylContact O-C 3.58Å; H381-M403 VanDerWaalsContact O-CA 3.32Å; H381-M403 WeakPolarHBondContact O-CA 3.2Å; H381-V404 HydrophobicContact CB-CG1 4.05Å; H381-V404 PolarHBondContact N-O 2.98Å; H381-V404 PolarHBondContact O-N 3.44Å; H381-W484 HydrophobicContact CB-CH2 4.22Å; H381-W484 HydrophobicContact CB-CZ3 3.85Å; H381-I485 HydrophobicContact CB-CD1 3.26Å
382F90.5Very high88.2Confident25 Ų2541.1 Ų41.111%0.1121%0.206CC..EExtended strand (participates in β ladder)trans-130.9130.9-174.5-176.2-113.2000110.4I328 A331 T332 V384 A401 C402 M403I328-F382 HydrophobicContact CB-CZ 4.41Å; I328-F382 HydrophobicContact CG1-CZ 4.47Å; I328-F382 HydrophobicContact CG2-CE1 4.15Å; I328-F382 HydrophobicContact CG2-CZ 3.87Å; A331-F382 HydrophobicContact CB-CE2 4Å; T332-F382 HydrophobicContact CG2-CE1 4.37Å; T332-F382 HydrophobicContact CG2-CE2 4.02Å; T332-F382 HydrophobicContact CG2-CZ 3.95Å; F382-V384 HydrophobicContact CD1-CG2 4.24Å; F382-V384 HydrophobicContact CE1-CG2 3.35Å; F382-V384 HydrophobicContact CZ-CG2 3.51Å; F382-A401 HydrophobicContact CE2-CB 4.03Å; F382-A401 HydrophobicContact CZ-CB 4.06Å; F382-C402 WeakPolarHBondContact CA-O 3.27Å; F382-C402 WeakPolarHBondContact CD2-O 3.41Å; F382-M403 HydrophobicContact CD2-CB 3.86Å; F382-M403 HydrophobicContact CD2-CG 4.14Å; F382-M403 HydrophobicContact CE2-CB 4.47Å
383K88.9Confident87.3Confident48 Ų4840.9 Ų40.921%0.20921%0.206CC..EExtended strand (participates in β ladder)trans-137.8135.4177.8-170.2172.6-179.1170.60109.9M385 C402 K480 F481 W484K383-M385 HydrophobicContact CD-SD 4.28Å; K383-M385 HydrophobicContact CG-CG 4.34Å; K383-C402 PolarHBondContact N-O 3.28Å; K383-C402 PolarHBondContact O-N 3.15Å; K383-K480 PolarHBondContact NZ-O 3.07Å; K383-F481 HydrophobicContact CB-CD2 3.68Å; K383-F481 HydrophobicContact CB-CE2 4.08Å; K383-F481 HydrophobicContact CD-CD2 4.23Å; K383-W484 HydrophobicContact CB-CE3 4.13Å; K383-W484 HydrophobicContact CB-CZ3 4.12Å; K383-W484 HydrophobicContact CD-CB 4.06Å; K383-W484 HydrophobicContact CD-CD2 3.92Å; K383-W484 HydrophobicContact CD-CE3 4.05Å; K383-W484 HydrophobicContact CD-CG 3.91Å; K383-W484 VanDerWaalsContact NZ-CB 3.35Å
384V89.9Confident86.7Confident26 Ų2640.6 Ų40.616%0.15821%0.205CC..EExtended strand (participates in β ladder)trans-113.5139.9174.9-173.90000108.9M1 I328 F382 A400M1-V384 HydrophobicContact CB-CB 4.48Å; I328-V384 HydrophobicContact CD1-CG1 4.01Å; I328-V384 HydrophobicContact CD1-CG2 4.03Å; I328-V384 HydrophobicContact CG1-CG1 4.07Å; I328-V384 HydrophobicContact CG1-CG2 3.89Å; F382-V384 HydrophobicContact CD1-CG2 4.24Å; F382-V384 HydrophobicContact CE1-CG2 3.35Å; F382-V384 HydrophobicContact CZ-CG2 3.51Å; V384-A400 WeakPolarHBondContact CA-O 3.45Å
385M90.4Very high86.5Confident22 Ų2241.4 Ų41.411%0.10821%0.205CC..EExtended strand (participates in β ladder)trans-140.2147.7-179.9-65.6165.2-70.500109.9K383 N399 A400 M477 K480 F481K383-M385 HydrophobicContact CD-SD 4.28Å; K383-M385 HydrophobicContact CG-CG 4.34Å; M385-N399 CarbonylContact O-C 3.52Å; M385-N399 WeakPolarHBondContact O-CA 3.46Å; M385-A400 HydrophobicContact CE-CB 4.37Å; M385-A400 PolarHBondContact N-O 2.81Å; M385-A400 PolarHBondContact O-N 2.88Å; M385-M477 HydrophobicContact CB-CG 4.27Å; M385-M477 HydrophobicContact CB-SD 4.1Å; M385-M477 HydrophobicContact CE-CB 3.94Å; M385-M477 WeakPolarHBondContact CE-O 3.47Å; M385-M477 HydrophobicContact SD-CB 4.15Å; M385-M477 VanDerWaalsContact SD-O 3.33Å; M385-K480 HydrophobicContact SD-CB 3.85Å; M385-F481 HydrophobicContact CE-CB 4.01Å
386K90.6Very high86.6Confident32 Ų3238.5 Ų38.514%0.13919%0.193CC..EExtended strand (participates in β ladder)trans-139.1142178.2174.8179.8176.7168.70109.2E300 D324 D394 A396 N399E300-K386 PolarHBondContact O-NZ 3.41Å; D324-K386 WeakPolarHBondContact OD1-CD 3.43Å; D324-K386 IonicContact OD1-NZ 2.87Å; D324-K386 IonicContact OD2-NZ 2.75Å; D324-K386 PolarHBondContact OD2-NZ 2.64Å; K386-D394 WeakPolarHBondContact CE-O 3.2Å; K386-D394 PolarHBondContact NZ-O 2.92Å; K386-A396 HydrophobicContact CG-CB 4.12Å; K386-N399 HydrophobicContact CB-CB 4.37Å; K386-N399 HydrophobicContact CG-CB 4.5Å
387Q92.4Very high87Confident9 Ų936.7 Ų36.74%0.04218%0.178CC..EExtended strand (participates in β ladder)trans-130130.6164.2-175.760.449.800109.1I397 V398 Y469 L473 M477 T1151Q387-I397 PolarHBondContact O-N 2.9Å; Q387-V398 PolarHBondContact N-O 2.84Å; Q387-V398 PolarHBondContact O-N 2.77Å; Q387-Y469 VanDerWaalsContact CG-OH 3.29Å; Q387-Y469 WeakPolarHBondContact CG-OH 3.48Å; Q387-L473 HydrophobicContact CB-CD1 4.01Å; Q387-L473 HydrophobicContact CB-CD2 4.06Å; Q387-L473 HydrophobicContact CG-CD1 3.96Å; Q387-L473 HydrophobicContact CG-CD2 3.94Å; Q387-M477 HydrophobicContact CB-CE 3.59Å; Q387-T1151 PolarHBondContact OE1-OG1 3.1Å
388S90.7Very high87.4Confident4 Ų433.5 Ų33.53%0.02816%0.159CC..EExtended strand (participates in β ladder)trans-131.2-179.4177.7420000109.8R390 I395 C1282S388-R390 WeakPolarHBondContact CB-O 3.39Å; S388-R390 PolarHBondContact OG-O 2.98Å; S388-I395 WeakPolarHBondContact CB-O 3.36Å; S388-C1282 PolarHBondContact O-SG 3Å
389Q88.1Confident87.8Confident24 Ų2425.8 Ų25.811%0.11213%0.125CC..SBendtrans-75.8-34176.7-176.2163.42.300111.1D394 I1191 K1211Q389-D394 WeakPolarHBondContact CA-OD2 3.44Å; Q389-D394 WeakPolarHBondContact CB-OD2 3.21Å; Q389-D394 PolarHBondContact N-OD2 2.82Å; Q389-I1191 HydrophobicContact CG-CG2 4.43Å; Q389-I1191 PolarHBondContact NE2-O 2.92Å; Q389-K1211 HydrophobicContact CB-CG 4.26Å; Q389-K1211 HydrophobicContact CG-CB 4.44Å; Q389-K1211 HydrophobicContact CG-CG 4.35Å
390R83Confident88Confident12 Ų1223.5 Ų23.55%0.04511%0.111CC..SBendtrans-124.7144.5170.2-172.6179.273.2179.71109.4S388 E392 D393 D394 K1211 I1212 D1217S388-R390 WeakPolarHBondContact CB-O 3.39Å; S388-R390 PolarHBondContact OG-O 2.98Å; R390-E392 VanDerWaalsContact C-N 3.34Å; R390-E392 PolarHBondContact NE-O 2.56Å; R390-E392 PolarHBondContact NH2-O 2.74Å; R390-E392 PolarHBondContact O-N 3.09Å; R390-D393 PolarHBondContact NH2-O 3.42Å; R390-D393 IonicContact NH2-OD2 3.55Å; R390-D394 HydrophobicContact CB-CB 4.33Å; R390-D394 PolarHBondContact N-OD2 3.48Å; R390-D394 VanDerWaalsContact O-CB 3.24Å; R390-D394 WeakPolarHBondContact O-CB 3.17Å; R390-K1211 HydrophobicContact CB-CB 4.41Å; R390-I1212 VanDerWaalsContact CD-O 3.3Å; R390-I1212 WeakPolarHBondContact CD-O 3.39Å; R390-I1212 PolarHBondContact NH1-O 3.4Å; R390-D1217 WeakPolarHBondContact CD-OD2 3.31Å; R390-D1217 WeakPolarHBondContact CG-OD2 3.35Å
391R78.4Confident88.2Confident41 Ų4120.5 Ų20.516%0.15510%0.098CC..SBendtrans-57.9-40.5-173-76.8-173.2-75.5-139.2-3.1114.9D1153 H1154 N1216R391-D1153 WeakPolarHBondContact CD-OD2 3.32Å; R391-D1153 WeakPolarHBondContact CG-OD1 3.26Å; R391-D1153 IonicContact NH1-OD2 3.2Å; R391-H1154 PolarHBondContact NH1-O 3.07Å; R391-N1216 PolarHBondContact NH2-O 3.11Å
392E72.8Confident88.4Confident28 Ų2819.4 Ų19.413%0.1319%0.093CC..SBendtrans-125.6153-172.7-71.6178.6-150.100112.8Q105 R108 R390 D394 N1216Q105-E392 VanDerWaalsContact CG-OE2 3.29Å; Q105-E392 WeakPolarHBondContact CG-OE2 3.15Å; Q105-E392 VanDerWaalsContact NE2-CD 3.29Å; Q105-E392 PolarHBondContact NE2-OE2 3.11Å; R108-E392 IonicContact CZ-OE2 3.31Å; R108-E392 VanDerWaalsContact NH1-CD 3.32Å; R108-E392 IonicContact NH1-OE1 3.41Å; R108-E392 IonicContact NH1-OE2 3.93Å; R108-E392 PolarHBondContact NH1-OE2 3.2Å; R108-E392 IonicContact NH2-OE2 2.58Å; R108-E392 PolarHBondContact NH2-OE2 3.19Å; R390-E392 VanDerWaalsContact C-N 3.34Å; R390-E392 PolarHBondContact NE-O 2.56Å; R390-E392 PolarHBondContact NH2-O 2.74Å; R390-E392 PolarHBondContact O-N 3.09Å; E392-D394 PolarHBondContact O-N 2.98Å; E392-N1216 PolarHBondContact OE1-ND2 2.84Å; E392-N1216 PolarHBondContact OE2-ND2 3.44Å
393D75.4Confident88.5Confident12 Ų1219.3 Ų19.36%0.0649%0.093CC..SBendtrans47.947.1-175.9-168.744.8000111.9R108 R109 G303 R390R108-D393 VanDerWaalsContact C-OD2 3.29Å; R108-D393 HydrophobicContact CB-CB 3.85Å; R109-D393 WeakPolarHBondContact CG-OD2 3.15Å; R109-D393 PolarHBondContact N-OD2 2.96Å; R109-D393 IonicContact NE-OD1 3.47Å; G303-D393 PolarHBondContact N-OD1 3.18Å; G303-D393 VanDerWaalsContact N-OD1 3.1Å; R390-D393 PolarHBondContact NH2-O 3.42Å; R390-D393 IonicContact NH2-OD2 3.55Å
394D81Confident88.8Confident16 Ų1617 Ų179%0.0868%0.083CC..  trans-135.4153.2178.8-162.713.4000111.5K386 Q389 R390 E392 K1211K386-D394 WeakPolarHBondContact CE-O 3.2Å; K386-D394 PolarHBondContact NZ-O 2.92Å; Q389-D394 WeakPolarHBondContact CA-OD2 3.44Å; Q389-D394 WeakPolarHBondContact CB-OD2 3.21Å; Q389-D394 PolarHBondContact N-OD2 2.82Å; R390-D394 HydrophobicContact CB-CB 4.33Å; R390-D394 PolarHBondContact N-OD2 3.48Å; R390-D394 VanDerWaalsContact O-CB 3.24Å; R390-D394 WeakPolarHBondContact O-CB 3.17Å; E392-D394 PolarHBondContact O-N 2.98Å; D394-K1211 WeakPolarHBondContact OD1-CD 3.31Å; D394-K1211 WeakPolarHBondContact OD1-CE 3.45Å; D394-K1211 IonicContact OD1-NZ 3.21Å; D394-K1211 PolarHBondContact OD1-NZ 3.45Å
395I86.2Confident89Confident77 Ų7715.9 Ų15.940%0.3958%0.076SC..  trans-72135173.5-73.5172.4000108.5I322 S388 I397I322-I395 HydrophobicContact CB-CG2 4.12Å; I322-I395 HydrophobicContact CD1-CB 4.26Å; I322-I395 HydrophobicContact CD1-CD1 4.1Å; I322-I395 HydrophobicContact CD1-CG1 4.17Å; I322-I395 HydrophobicContact CD1-CG2 3.2Å; I322-I395 HydrophobicContact CG1-CG2 4.15Å; I322-I395 HydrophobicContact CG2-CG2 4.41Å; S388-I395 WeakPolarHBondContact CB-O 3.36Å; I395-I397 PolarHBondContact O-N 3.18Å
396A90.2Very high89.1Confident3 Ų315.3 Ų15.33%0.0257%0.074CC..EExtended strand (participates in β ladder)trans-64.3134.8173.800000111.3I322 D324 K386 N399I322-A396 WeakPolarHBondContact CG2-O 3.43Å; D324-A396 WeakPolarHBondContact OD1-CB 3.34Å; K386-A396 HydrophobicContact CG-CB 4.12Å; A396-N399 HydrophobicContact CB-CB 3.92Å
397I93.8Very high89.1Confident23 Ų2319.6 Ų19.612%0.1189%0.089CC..EExtended strand (participates in β ladder)trans-74.8-51164.1-64.8170.6000108.3Q387 I395 M466 Y469 R470 L473Q387-I397 PolarHBondContact O-N 2.9Å; I395-I397 PolarHBondContact O-N 3.18Å; I397-M466 HydrophobicContact CD1-SD 4.21Å; I397-Y469 HydrophobicContact CD1-CE1 3.9Å; I397-Y469 HydrophobicContact CG2-CD1 4.26Å; I397-Y469 HydrophobicContact CG2-CE1 4.15Å; I397-R470 HydrophobicContact CG2-CG 3.73Å; I397-L473 HydrophobicContact CG2-CD1 4.06Å
398V94.9Very high88.8Confident0 Ų028.7 Ų28.70%013%0.129CC..EExtended strand (participates in β ladder)trans-138.8141.5166.6179.20000107.2Q387 F418 G419 L421 R470 L473 M477Q387-V398 PolarHBondContact N-O 2.84Å; Q387-V398 PolarHBondContact O-N 2.77Å; V398-F418 HydrophobicContact CG1-CD1 4.42Å; V398-G419 WeakPolarHBondContact CA-O 3.34Å; V398-L421 HydrophobicContact CG1-CD1 4.46Å; V398-L421 HydrophobicContact CG1-CG 4.3Å; V398-L421 HydrophobicContact CG2-CD2 3.89Å; V398-L421 HydrophobicContact CG2-CG 4.38Å; V398-R470 HydrophobicContact CG2-CB 3.92Å; V398-R470 HydrophobicContact CG2-CG 3.86Å; V398-L473 HydrophobicContact CB-CB 4.19Å; V398-L473 HydrophobicContact CB-CD1 4.15Å; V398-L473 HydrophobicContact CG2-CB 4.11Å; V398-L473 HydrophobicContact CG2-CD1 4.07Å; V398-M477 HydrophobicContact CB-CE 4.35Å; V398-M477 HydrophobicContact CG1-CE 4.41Å; V398-M477 HydrophobicContact CG1-SD 4.11Å; V398-M477 WeakPolarHBondContact O-CE 3.45Å
399N94.5Very high88.5Confident4 Ų430.2 Ų30.22%0.02114%0.139CC..EExtended strand (participates in β ladder)trans-131.815516655.922.9000109S323 D324 P327 M385 K386 A396 F418 G419S323-N399 VanDerWaalsContact C-ND2 3.31Å; S323-N399 PolarHBondContact O-ND2 3.38Å; D324-N399 VanDerWaalsContact CA-ND2 3.31Å; D324-N399 WeakPolarHBondContact CA-ND2 3.27Å; D324-N399 PolarHBondContact N-ND2 2.81Å; D324-N399 PolarHBondContact OD1-ND2 2.86Å; P327-N399 WeakPolarHBondContact CG-OD1 3.5Å; M385-N399 CarbonylContact O-C 3.52Å; M385-N399 WeakPolarHBondContact O-CA 3.46Å; K386-N399 HydrophobicContact CB-CB 4.37Å; K386-N399 HydrophobicContact CG-CB 4.5Å; A396-N399 HydrophobicContact CB-CB 3.92Å; N399-F418 VanDerWaalsContact O-CA 3.26Å; N399-F418 WeakPolarHBondContact O-CA 3.22Å; N399-G419 PolarHBondContact N-O 2.92Å; N399-G419 PolarHBondContact O-N 2.79Å; N399-G419 WeakPolarHBondContact OD1-CA 3.26Å; N399-G419 PolarHBondContact OD1-N 3.44Å
400A94.3Very high88.7Confident1 Ų133.4 Ų33.41%0.00815%0.154CC..EExtended strand (participates in β ladder)trans-141.1139.4-174.100000111.3V384 M385 T417 F418 M477V384-A400 WeakPolarHBondContact CA-O 3.45Å; M385-A400 HydrophobicContact CE-CB 4.37Å; M385-A400 PolarHBondContact N-O 2.81Å; M385-A400 PolarHBondContact O-N 2.88Å; A400-T417 CarbonylContact C-O 3.52Å; A400-T417 VanDerWaalsContact CA-O 3.27Å; A400-T417 WeakPolarHBondContact CA-O 3.49Å; A400-F418 HydrophobicContact CB-CD1 3.71Å; A400-F418 HydrophobicContact CB-CE1 3.81Å; A400-M477 HydrophobicContact CB-CB 4.24Å; A400-M477 HydrophobicContact CB-SD 3.67Å
401A94.7Very high89.2Confident0 Ų032.8 Ų32.80%015%0.152CC..EExtended strand (participates in β ladder)trans-120.1113.8166.900000108.2P327 I328 A331 F382 T417P327-A401 VanDerWaalsContact C-CB 3.44Å; P327-A401 HydrophobicContact CB-CB 3.88Å; P327-A401 VanDerWaalsContact O-CB 3.29Å; P327-A401 WeakPolarHBondContact O-CB 3.24Å; I328-A401 HydrophobicContact CG1-CB 4.36Å; A331-A401 HydrophobicContact CB-CB 3.7Å; F382-A401 HydrophobicContact CE2-CB 4.03Å; F382-A401 HydrophobicContact CZ-CB 4.06Å; A401-T417 PolarHBondContact N-O 3.19Å; A401-T417 PolarHBondContact O-N 2.99Å
402C94.6Very high90Very high0 Ų035.2 Ų35.20%016%0.164CC..EExtended strand (participates in β ladder)trans-111.8126.7-177.2-56.10000109.6F382 K383 S415 L416 F481F382-C402 WeakPolarHBondContact CA-O 3.27Å; F382-C402 WeakPolarHBondContact CD2-O 3.41Å; K383-C402 PolarHBondContact N-O 3.28Å; K383-C402 PolarHBondContact O-N 3.15Å; C402-S415 WeakPolarHBondContact CA-O 3.48Å; C402-L416 HydrophobicContact CB-CD2 3.83Å; C402-F481 HydrophobicContact CB-CB 4.08Å; C402-F481 HydrophobicContact CB-CD1 3.61Å; C402-F481 HydrophobicContact CB-CD2 3.6Å; C402-F481 HydrophobicContact CB-CE1 3.8Å; C402-F481 HydrophobicContact CB-CE2 3.77Å; C402-F481 HydrophobicContact CB-CG 3.48Å; C402-F481 VanDerWaalsContact CB-CG 3.48Å; C402-F481 HydrophobicContact CB-CZ 3.86Å
403M94.2Very high91.1Very high24 Ų2435.8 Ų35.812%0.11817%0.171CC..EExtended strand (participates in β ladder)trans-129.2137.9177.6-166.6178.961.300110.6A331 K380 H381 F382 I414 S415A331-M403 WeakPolarHBondContact O-CE 3.27Å; K380-M403 HydrophobicContact CD-SD 4.36Å; H381-M403 CarbonylContact O-C 3.58Å; H381-M403 VanDerWaalsContact O-CA 3.32Å; H381-M403 WeakPolarHBondContact O-CA 3.2Å; F382-M403 HydrophobicContact CD2-CB 3.86Å; F382-M403 HydrophobicContact CD2-CG 4.14Å; F382-M403 HydrophobicContact CE2-CB 4.47Å; M403-I414 CarbonylContact O-C 3.56Å; M403-I414 WeakPolarHBondContact O-CA 3.21Å; M403-S415 PolarHBondContact N-O 2.99Å; M403-S415 PolarHBondContact O-N 3.12Å
404V94.3Very high92Very high0 Ų035.7 Ų35.70%017%0.171CC..EExtended strand (participates in β ladder)trans-138.7133.9169.268.40000110.6K380 H381 L406 I411 S413 I414 W440 F481 I485K380-V404 CarbonylContact C-O 3.58Å; K380-V404 WeakPolarHBondContact CA-O 3.05Å; H381-V404 HydrophobicContact CB-CG1 4.05Å; H381-V404 PolarHBondContact N-O 2.98Å; H381-V404 PolarHBondContact O-N 3.44Å; V404-L406 HydrophobicContact CG1-CD1 4.07Å; V404-L406 HydrophobicContact CG1-CG 4.04Å; V404-L406 HydrophobicContact CG2-CD2 3.94Å; V404-L406 HydrophobicContact CG2-CG 3.91Å; V404-I411 HydrophobicContact CG2-CG1 4.48Å; V404-I411 HydrophobicContact CG2-CG2 4.16Å; V404-S413 CarbonylContact C-O 3.59Å; V404-S413 WeakPolarHBondContact CA-O 3.37Å; V404-S413 WeakPolarHBondContact CG2-O 3.1Å; V404-I414 HydrophobicContact CB-CG1 4.38Å; V404-I414 HydrophobicContact CG2-CB 4.3Å; V404-I414 HydrophobicContact CG2-CG1 4.34Å; V404-W440 HydrophobicContact CB-CZ3 4.38Å; V404-W440 HydrophobicContact CG1-CZ3 4.42Å; V404-W440 HydrophobicContact CG2-CE3 4.23Å; V404-W440 HydrophobicContact CG2-CZ3 3.92Å; V404-F481 HydrophobicContact CB-CE1 4.46Å; V404-F481 HydrophobicContact CB-CZ 4.12Å; V404-F481 HydrophobicContact CG1-CE1 4.34Å; V404-F481 HydrophobicContact CG1-CZ 3.76Å; V404-I485 HydrophobicContact CG1-CD1 3.61Å; V404-I485 HydrophobicContact CG1-CG1 4.12Å
405D94.2Very high92.7Very high2 Ų236 Ų361%0.01117%0.174CC..EExtended strand (participates in β ladder)trans-97.8108.2168.4-175.78.8000108.7T379 K380 R407 H412 S413T379-D405 WeakPolarHBondContact CB-OD1 3.11Å; T379-D405 WeakPolarHBondContact O-CA 3.17Å; T379-D405 PolarHBondContact OG1-OD1 2.98Å; K380-D405 HydrophobicContact CG-CB 3.87Å; D405-R407 IonicContact OD1-NE 3.07Å; D405-R407 IonicContact OD2-CZ 3.83Å; D405-R407 IonicContact OD2-NE 3.5Å; D405-R407 PolarHBondContact OD2-NE 3.25Å; D405-R407 VanDerWaalsContact OD2-NE 3.1Å; D405-R407 IonicContact OD2-NH2 3.41Å; D405-R407 PolarHBondContact OD2-NH2 3.43Å; D405-H412 HydrophobicContact CB-CB 4.28Å; D405-H412 WeakPolarHBondContact O-CB 3.26Å; D405-H412 PolarHBondContact O-N 3.28Å; D405-H412 IonicContact OD2-CD2 2.9Å; D405-H412 PolarHBondContact OD2-CD2 3.26Å; D405-H412 VanDerWaalsContact OD2-CD2 3.25Å; D405-H412 IonicContact OD2-CG 3.38Å; D405-S413 VanDerWaalsContact CB-OG 3.32Å; D405-S413 WeakPolarHBondContact CB-OG 3.42Å; D405-S413 PolarHBondContact N-O 2.83Å
406L92.2Very high93.1Very high10 Ų1032.4 Ų32.45%0.05216%0.156CC..EExtended strand (participates in β ladder)trans-103.5114.3-178.8-71.1172.4000110.7T379 V404 H410 I411 W440 I485 L489T379-L406 WeakPolarHBondContact CB-O 3.26Å; T379-L406 PolarHBondContact O-N 3.41Å; V404-L406 HydrophobicContact CG1-CD1 4.07Å; V404-L406 HydrophobicContact CG1-CG 4.04Å; V404-L406 HydrophobicContact CG2-CD2 3.94Å; V404-L406 HydrophobicContact CG2-CG 3.91Å; L406-H410 WeakPolarHBondContact CA-O 3.29Å; L406-I411 HydrophobicContact CD2-CG1 3.98Å; L406-W440 HydrophobicContact CD2-CB 4.09Å; L406-W440 HydrophobicContact CD2-CE3 4.13Å; L406-I485 HydrophobicContact CD1-CG2 3.7Å; L406-L489 HydrophobicContact CD1-CD1 3.84Å; L406-L489 HydrophobicContact CD1-CD2 4.1Å; L406-L489 HydrophobicContact CD1-CG 4.32Å
407R92Very high93.4Very high122 Ų12232.3 Ų32.346%0.4616%0.155SC..EExtended strand (participates in β ladder)trans-113.3110.4176.8-60-175.1-171.8-179.45.8108.7D405 S409 H410 H412D405-R407 IonicContact OD1-NE 3.07Å; D405-R407 IonicContact OD2-CZ 3.83Å; D405-R407 IonicContact OD2-NE 3.5Å; D405-R407 PolarHBondContact OD2-NE 3.25Å; D405-R407 VanDerWaalsContact OD2-NE 3.1Å; D405-R407 IonicContact OD2-NH2 3.41Å; D405-R407 PolarHBondContact OD2-NH2 3.43Å; R407-S409 VanDerWaalsContact C-N 3.28Å; R407-S409 PolarHBondContact O-N 2.9Å; R407-H410 PolarHBondContact N-O 2.79Å; R407-H410 WeakPolarHBondContact O-CB 3.37Å; R407-H410 PolarHBondContact O-N 3.23Å; R407-H412 HydrophobicContact CG-CB 4Å; R407-H412 VanDerWaalsContact CZ-NE2 3.29Å; R407-H412 PolarHBondContact NE-CD2 3.31Å; R407-H412 PolarHBondContact NH1-NE2 2.9Å; R407-H412 PolarHBondContact NH2-CD2 3.18Å; R407-H412 PolarHBondContact NH2-NE2 3.04Å; R407-H412 VanDerWaalsContact NH2-NE2 3.15Å
408K86Confident93.5Very high200 Ų20031.3 Ų31.387%0.8715%0.149SC*.THydrogen-bonded Turntrans51.647.7-174.3-55.7179.4179.9-179.70111.7H410K408-H410 PolarHBondContact O-N 2.67Å; K408-H410 VanDerWaalsContact O-N 3.08Å; K408-H410 PolarHBondContact O-ND1 2.79Å
409S84Confident93.5Very high36 Ų3631.3 Ų31.325%0.25215%0.149SC..THydrogen-bonded Turntrans62.35.2-176-51.70000116.5R407 R439 W440R407-S409 VanDerWaalsContact C-N 3.28Å; R407-S409 PolarHBondContact O-N 2.9Å; S409-R439 WeakPolarHBondContact O-CA 3.4Å; S409-R439 WeakPolarHBondContact O-CG 3.42Å; S409-W440 PolarHBondContact O-N 2.92Å
410H91.9Very high93.5Very high90 Ų9031.3 Ų31.342%0.41715%0.151SC..EExtended strand (participates in β ladder)trans-94.9140.1173-67.570000110.1L406 R407 K408 H412 R438L406-H410 WeakPolarHBondContact CA-O 3.29Å; R407-H410 PolarHBondContact N-O 2.79Å; R407-H410 WeakPolarHBondContact O-CB 3.37Å; R407-H410 PolarHBondContact O-N 3.23Å; K408-H410 PolarHBondContact O-N 2.67Å; K408-H410 VanDerWaalsContact O-N 3.08Å; K408-H410 PolarHBondContact O-ND1 2.79Å; H410-H412 PolarHBondContact O-N 3.09Å; H410-H412 VanDerWaalsContact O-N 3.15Å; H410-R438 WeakPolarHBondContact CA-O 3.38Å
411I94.5Very high93.4Very high0 Ų031.7 Ų31.70%015%0.153CC..EExtended strand (participates in β ladder)trans-74.7102.7179.3-59.5168.9000107.6V404 L406 I414 L435 V436 G437 R438 W440V404-I411 HydrophobicContact CG2-CG1 4.48Å; V404-I411 HydrophobicContact CG2-CG2 4.16Å; L406-I411 HydrophobicContact CD2-CG1 3.98Å; I411-I414 HydrophobicContact CG2-CB 3.94Å; I411-I414 HydrophobicContact CG2-CG2 4.11Å; I411-L435 HydrophobicContact CD1-CB 4.01Å; I411-V436 HydrophobicContact CG2-CG2 4.43Å; I411-G437 PolarHBondContact O-N 3.44Å; I411-R438 PolarHBondContact N-O 3.09Å; I411-W440 HydrophobicContact CD1-CE3 3.82Å; I411-W440 HydrophobicContact CD1-CZ3 4.32Å; I411-W440 HydrophobicContact CG1-CE3 3.91Å
412H95Very high93.2Very high92 Ų9233.6 Ų33.643%0.42617%0.169SC..EExtended strand (participates in β ladder)trans-81.2-40.6175.2-178.167.6000111.4D405 R407 H410 V436D405-H412 HydrophobicContact CB-CB 4.28Å; D405-H412 WeakPolarHBondContact O-CB 3.26Å; D405-H412 PolarHBondContact O-N 3.28Å; D405-H412 IonicContact OD2-CD2 2.9Å; D405-H412 PolarHBondContact OD2-CD2 3.26Å; D405-H412 VanDerWaalsContact OD2-CD2 3.25Å; D405-H412 IonicContact OD2-CG 3.38Å; R407-H412 HydrophobicContact CG-CB 4Å; R407-H412 VanDerWaalsContact CZ-NE2 3.29Å; R407-H412 PolarHBondContact NE-CD2 3.31Å; R407-H412 PolarHBondContact NH1-NE2 2.9Å; R407-H412 PolarHBondContact NH2-CD2 3.18Å; R407-H412 PolarHBondContact NH2-NE2 3.04Å; R407-H412 VanDerWaalsContact NH2-NE2 3.15Å; H410-H412 PolarHBondContact O-N 3.09Å; H410-H412 VanDerWaalsContact O-N 3.15Å; H412-V436 WeakPolarHBondContact O-CG1 3.49Å
413S94.8Very high93Very high39 Ų3936.2 Ų36.227%0.27319%0.19SC..EExtended strand (participates in β ladder)trans-149.2153.4168.159.50000109.8V404 D405V404-S413 CarbonylContact C-O 3.59Å; V404-S413 WeakPolarHBondContact CA-O 3.37Å; V404-S413 WeakPolarHBondContact CG2-O 3.1Å; D405-S413 VanDerWaalsContact CB-OG 3.32Å; D405-S413 WeakPolarHBondContact CB-OG 3.42Å; D405-S413 PolarHBondContact N-O 2.83Å
414I94.9Very high93Very high11 Ų1136 Ų366%0.05619%0.19CC..EExtended strand (participates in β ladder)trans-142.5140.1174.9-171.1169.8000108.3M403 V404 I411 L416 V431 P432 V436 W440 M448M403-I414 CarbonylContact O-C 3.56Å; M403-I414 WeakPolarHBondContact O-CA 3.21Å; V404-I414 HydrophobicContact CB-CG1 4.38Å; V404-I414 HydrophobicContact CG2-CB 4.3Å; V404-I414 HydrophobicContact CG2-CG1 4.34Å; I411-I414 HydrophobicContact CG2-CB 3.94Å; I411-I414 HydrophobicContact CG2-CG2 4.11Å; I414-L416 HydrophobicContact CD1-CD2 4.44Å; I414-L416 HydrophobicContact CD1-CG 4.49Å; I414-L416 HydrophobicContact CG1-CD2 4.34Å; I414-L416 HydrophobicContact CG1-CG 4.35Å; I414-V431 HydrophobicContact CD1-CG1 4.1Å; I414-V431 HydrophobicContact CG2-CG1 4.12Å; I414-P432 HydrophobicContact CG2-CB 4.13Å; I414-P432 HydrophobicContact CG2-CG 4.2Å; I414-P432 WeakPolarHBondContact O-CG 3.41Å; I414-V436 HydrophobicContact CG2-CG2 4.43Å; I414-W440 HydrophobicContact CD1-CZ3 4.15Å; I414-M448 HydrophobicContact CD1-CE 3.71Å; I414-M448 HydrophobicContact CD1-SD 4.22Å
415S94.9Very high93Very high23 Ų2336 Ų3616%0.16119%0.19CC..EExtended strand (participates in β ladder)trans-137.5126.2173.3-173.10000109.1C402 M403 T417C402-S415 WeakPolarHBondContact CA-O 3.48Å; M403-S415 PolarHBondContact N-O 2.99Å; M403-S415 PolarHBondContact O-N 3.12Å; S415-T417 PolarHBondContact OG-OG1 3.01Å
416L96.1Very high92.9Very high1 Ų141.8 Ų41.81%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-124101.4177.5-55.7177.6000107C402 I414 F418 S427 S428 V431 M448 L452 V478 F481C402-L416 HydrophobicContact CB-CD2 3.83Å; I414-L416 HydrophobicContact CD1-CD2 4.44Å; I414-L416 HydrophobicContact CD1-CG 4.49Å; I414-L416 HydrophobicContact CG1-CD2 4.34Å; I414-L416 HydrophobicContact CG1-CG 4.35Å; L416-F418 HydrophobicContact CB-CE2 3.91Å; L416-F418 HydrophobicContact CB-CZ 4.17Å; L416-S427 CarbonylContact O-C 3.46Å; L416-S427 VanDerWaalsContact O-CA 3.27Å; L416-S427 WeakPolarHBondContact O-CA 3.41Å; L416-S428 PolarHBondContact O-N 2.93Å; L416-V431 HydrophobicContact CD1-CB 4.34Å; L416-V431 HydrophobicContact CD1-CG1 3.94Å; L416-V431 HydrophobicContact CD1-CG2 4.2Å; L416-M448 HydrophobicContact CD1-CG 3.87Å; L416-M448 HydrophobicContact CD1-SD 3.63Å; L416-L452 HydrophobicContact CD1-CD1 4.2Å; L416-L452 HydrophobicContact CD1-CD2 4.4Å; L416-V478 HydrophobicContact CD1-CG1 4.33Å; L416-V478 HydrophobicContact CD1-CG2 4.24Å; L416-F481 HydrophobicContact CD2-CD1 4.33Å; L416-F481 HydrophobicContact CD2-CE1 4.3Å
417T96.3Very high93Very high0 Ų041.9 Ų41.90%021%0.214CC..EExtended strand (participates in β ladder)trans-112.3138.4-175.9-49.80000110.9P327 V330 A400 A401 S415 T425 R426 S427P327-T417 HydrophobicContact CB-CG2 4.08Å; V330-T417 HydrophobicContact CB-CG2 3.84Å; V330-T417 HydrophobicContact CG1-CG2 3.66Å; A400-T417 CarbonylContact C-O 3.52Å; A400-T417 VanDerWaalsContact CA-O 3.27Å; A400-T417 WeakPolarHBondContact CA-O 3.49Å; A401-T417 PolarHBondContact N-O 3.19Å; A401-T417 PolarHBondContact O-N 2.99Å; S415-T417 PolarHBondContact OG-OG1 3.01Å; T417-T425 HydrophobicContact CG2-CG2 3.63Å; T417-R426 CarbonylContact C-O 3.59Å; T417-R426 WeakPolarHBondContact CA-O 3.24Å; T417-S427 PolarHBondContact OG1-OG 3.07Å
418F96.1Very high93.2Very high2 Ų236.2 Ų36.21%0.00919%0.193CC..EExtended strand (participates in β ladder)trans-130.3146.8-174.8-54.8-88.6000112.4V398 N399 A400 L416 L421 R426 L452 F456 C474 V478V398-F418 HydrophobicContact CG1-CD1 4.42Å; N399-F418 VanDerWaalsContact O-CA 3.26Å; N399-F418 WeakPolarHBondContact O-CA 3.22Å; A400-F418 HydrophobicContact CB-CD1 3.71Å; A400-F418 HydrophobicContact CB-CE1 3.81Å; L416-F418 HydrophobicContact CB-CE2 3.91Å; L416-F418 HydrophobicContact CB-CZ 4.17Å; F418-L421 HydrophobicContact CB-CD1 3.6Å; F418-L421 HydrophobicContact CB-CG 4.2Å; F418-L421 HydrophobicContact CD1-CD1 3.93Å; F418-L421 HydrophobicContact CD2-CD1 4.24Å; F418-L421 HydrophobicContact CG-CD1 3.67Å; F418-R426 PolarHBondContact N-O 3.16Å; F418-R426 PolarHBondContact O-N 3.19Å; F418-L452 HydrophobicContact CE2-CD2 4.02Å; F418-L452 HydrophobicContact CZ-CD2 4.24Å; F418-F456 HydrophobicContact CD2-CD2 4.47Å; F418-F456 HydrophobicContact CD2-CE1 4.44Å; F418-F456 AromaticContact CD2-CE2 3.72Å; F418-F456 HydrophobicContact CD2-CE2 3.72Å; F418-F456 AromaticContact CD2-CZ 3.7Å; F418-F456 HydrophobicContact CD2-CZ 3.7Å; F418-F456 HydrophobicContact CE2-CD2 4.43Å; F418-F456 AromaticContact CE2-CE2 3.71Å; F418-F456 HydrophobicContact CE2-CE2 3.71Å; F418-F456 HydrophobicContact CE2-CZ 4.14Å; F418-C474 HydrophobicContact CE1-CB 4.41Å; F418-C474 VanDerWaalsContact CE1-SG 3.58Å; F418-C474 VanDerWaalsContact CZ-SG 3.51Å; F418-V478 HydrophobicContact CE1-CG2 4.08Å; F418-V478 HydrophobicContact CZ-CG2 3.65Å
419G94.7Very high93.5Very high0 Ų033.4 Ų33.40%018%0.18CC..EExtended strand (participates in β ladder)trans-110.4158.2159.800000110.9P321 V398 N399 L421P321-G419 CarbonylContact O-C 3.56Å; P321-G419 WeakPolarHBondContact O-CA 3.02Å; V398-G419 WeakPolarHBondContact CA-O 3.34Å; N399-G419 PolarHBondContact N-O 2.92Å; N399-G419 PolarHBondContact O-N 2.79Å; N399-G419 WeakPolarHBondContact OD1-CA 3.26Å; N399-G419 PolarHBondContact OD1-N 3.44Å; G419-L421 VanDerWaalsContact C-N 3.29Å; G419-L421 PolarHBondContact O-N 2.63Å
420G93.1Very high94.1Very high5 Ų536.1 Ų36.15%0.05219%0.185CC..SBendtrans81.1-4.6-179.400000116P321 R470P321-G420 PolarHBondContact O-N 3.28Å; G420-R470 WeakPolarHBondContact O-CD 3.25Å; G420-R470 PolarHBondContact O-NH1 3.35Å
421L92.6Very high94.2Very high9 Ų931.8 Ų31.85%0.04717%0.165CC..SBendtrans-100.2-3.1178-62.7179.2000114.3V398 F418 G419 F456 L458 R470 C474V398-L421 HydrophobicContact CG1-CD1 4.46Å; V398-L421 HydrophobicContact CG1-CG 4.3Å; V398-L421 HydrophobicContact CG2-CD2 3.89Å; V398-L421 HydrophobicContact CG2-CG 4.38Å; F418-L421 HydrophobicContact CB-CD1 3.6Å; F418-L421 HydrophobicContact CB-CG 4.2Å; F418-L421 HydrophobicContact CD1-CD1 3.93Å; F418-L421 HydrophobicContact CD2-CD1 4.24Å; F418-L421 HydrophobicContact CG-CD1 3.67Å; G419-L421 VanDerWaalsContact C-N 3.29Å; G419-L421 PolarHBondContact O-N 2.63Å; L421-F456 HydrophobicContact CB-CD1 3.99Å; L421-F456 HydrophobicContact CD1-CB 4.2Å; L421-F456 HydrophobicContact CD1-CD1 4.06Å; L421-F456 HydrophobicContact CD1-CD2 4.45Å; L421-F456 HydrophobicContact CD1-CG 3.99Å; L421-L458 HydrophobicContact CD2-CD1 4.34Å; L421-L458 WeakPolarHBondContact O-CD2 3.46Å; L421-R470 HydrophobicContact CD2-CB 3.96Å; L421-C474 HydrophobicContact CD1-CB 3.7Å
422A91.3Very high94.3Very high40 Ų4033.6 Ų33.633%0.33118%0.177SC..SBendtrans-155.2178.3177.200000110.5P321 T424P321-A422 WeakPolarHBondContact CB-O 3.4Å; A422-T424 PolarHBondContact O-N 3.05Å
423A90.4Very high94.3Very high55 Ų5533.5 Ų33.546%0.45519%0.192SC..SBendtrans-70.1-9.1172.500000113.2P321P321-A423 VanDerWaalsContact CG-O 3.3Å; P321-A423 WeakPolarHBondContact CG-O 3.32Å
424T93.5Very high94.3Very high18 Ų1833.3 Ų33.311%0.1119%0.193CC..SBendtrans-139.2165.8174.958.50000109.9F354 D356 A422 R426F354-T424 HydrophobicContact CB-CG2 4.14Å; D356-T424 VanDerWaalsContact C-CG2 3.43Å; D356-T424 WeakPolarHBondContact O-CG2 3.35Å; A422-T424 PolarHBondContact O-N 3.05Å; T424-R426 PolarHBondContact O-N 3.27Å
425T94.3Very high94.3Very high1 Ų132.8 Ų32.81%0.00619%0.19CC..  trans-64.6130.7167.3-61.80000109.3N326 P327 V330 T417N326-T425 HydrophobicContact CB-CG2 4.1Å; N326-T425 VanDerWaalsContact CB-OG1 3.26Å; N326-T425 WeakPolarHBondContact CB-OG1 3.29Å; P327-T425 HydrophobicContact CB-CG2 4.3Å; P327-T425 HydrophobicContact CG-CG2 3.98Å; V330-T425 HydrophobicContact CG2-CG2 4.15Å; T417-T425 HydrophobicContact CG2-CG2 3.63Å
426R92.6Very high94.3Very high123 Ų12335.2 Ų35.246%0.46420%0.204SC..EExtended strand (participates in β ladder)trans-137.4142.8-176.3-98.8-158.2169.7-157.1-1.8113.8D351 T417 F418 T424 F456D351-R426 WeakPolarHBondContact OD1-CA 3.31Å; T417-R426 CarbonylContact C-O 3.59Å; T417-R426 WeakPolarHBondContact CA-O 3.24Å; F418-R426 PolarHBondContact N-O 3.16Å; F418-R426 PolarHBondContact O-N 3.19Å; T424-R426 PolarHBondContact O-N 3.27Å; R426-F456 HydrophobicContact CB-CE1 4.27Å
427S94.4Very high94.2Very high13 Ų1337.7 Ų37.79%0.09123%0.23CC..EExtended strand (participates in β ladder)trans-97.3149.2169.6-47.10000110.7V330 D351 L416 T417 F429V330-S427 WeakPolarHBondContact CG1-OG 3.4Å; D351-S427 PolarHBondContact OD1-N 3.27Å; D351-S427 VanDerWaalsContact OD2-CB 3.22Å; D351-S427 WeakPolarHBondContact OD2-CB 3.34Å; D351-S427 PolarHBondContact OD2-OG 3.32Å; L416-S427 CarbonylContact O-C 3.46Å; L416-S427 VanDerWaalsContact O-CA 3.27Å; L416-S427 WeakPolarHBondContact O-CA 3.41Å; T417-S427 PolarHBondContact OG1-OG 3.07Å; S427-F429 PolarHBondContact O-N 2.89Å
428S95.5Very high94Very high3 Ų344.6 Ų44.62%0.02126%0.256CS..  trans-72.7124.3169.3126.50000109.7L416 V431 P432 E455L416-S428 PolarHBondContact O-N 2.93Å; S428-V431 WeakPolarHBondContact OG-CB 3.11Å; S428-V431 WeakPolarHBondContact OG-CG2 3.25Å; S428-V431 PolarHBondContact OG-N 2.94Å; S428-P432 WeakPolarHBondContact O-CD 3.13Å; S428-E455 VanDerWaalsContact CA-OE1 3.26Å; S428-E455 WeakPolarHBondContact CA-OE1 3.48Å; S428-E455 WeakPolarHBondContact CB-OE2 3.39Å; S428-E455 PolarHBondContact OG-OE2 3.33Å
429F93.2Very high93.8Very high140 Ų14051.4 Ų51.461%0.61428%0.281SS*.SBendtrans-90.9-21.1176.365.3-87.8000112.6S427 E455S427-F429 PolarHBondContact O-N 2.89Å; F429-E455 WeakPolarHBondContact CD1-OE1 3.31Å; F429-E455 HydrophobicContact CE1-CG 4.27Å; F429-E455 WeakPolarHBondContact CE1-OE1 3.37Å; F429-E455 PolarHBondContact N-OE1 2.94Å
430R95.8Very high93.5Very high93 Ų9351.9 Ų51.935%0.35128%0.283SS..Hα-helixtrans-80.2-33.7-178.8-64.4176.667.1-168.9-2.7112.8A433 A434 I451 E454 E455R430-A433 PolarHBondContact O-N 2.77Å; R430-A434 WeakPolarHBondContact O-CB 3.41Å; R430-A434 PolarHBondContact O-N 3.39Å; R430-I451 HydrophobicContact CB-CG2 3.37Å; R430-I451 HydrophobicContact CG-CG2 4.44Å; R430-E454 IonicContact CZ-OE2 3.98Å; R430-E454 VanDerWaalsContact CZ-OE2 3.28Å; R430-E454 IonicContact NH1-OE2 3.08Å; R430-E454 PolarHBondContact NH1-OE2 3.41Å; R430-E454 IonicContact NH2-OE2 3.74Å; R430-E454 PolarHBondContact NH2-OE2 3.07Å; R430-E455 WeakPolarHBondContact CB-OE2 3.32Å
431V95.4Very high93.1Very high0 Ų053.3 Ų53.30%029%0.292CS..Hα-helixtrans-62.3-50.2179.6171.70000112.7I414 L416 S428 A433 A434 L435 M448 I451 L452I414-V431 HydrophobicContact CD1-CG1 4.1Å; I414-V431 HydrophobicContact CG2-CG1 4.12Å; L416-V431 HydrophobicContact CD1-CB 4.34Å; L416-V431 HydrophobicContact CD1-CG1 3.94Å; L416-V431 HydrophobicContact CD1-CG2 4.2Å; S428-V431 WeakPolarHBondContact OG-CB 3.11Å; S428-V431 WeakPolarHBondContact OG-CG2 3.25Å; S428-V431 PolarHBondContact OG-N 2.94Å; V431-A433 VanDerWaalsContact C-N 3.29Å; V431-A433 PolarHBondContact O-N 2.87Å; V431-A434 PolarHBondContact O-N 3.47Å; V431-A434 VanDerWaalsContact O-N 3.14Å; V431-L435 HydrophobicContact CG1-CD1 3.74Å; V431-L435 HydrophobicContact CG1-CG 4.33Å; V431-L435 WeakPolarHBondContact O-CB 3.29Å; V431-L435 PolarHBondContact O-N 2.98Å; V431-M448 HydrophobicContact CG1-CG 3.77Å; V431-M448 HydrophobicContact CG1-SD 4.46Å; V431-M448 HydrophobicContact CG2-CG 3.94Å; V431-I451 HydrophobicContact CG2-CB 4.11Å; V431-I451 HydrophobicContact CG2-CG2 3.71Å; V431-L452 HydrophobicContact CG2-CD2 4.22Å; V431-L452 HydrophobicContact CG2-CG 4.26Å
432P94.6Very high92.5Very high38 Ų3859.3 Ų59.325%0.24732%0.323CS..Hα-helixtrans-59.5-41.9177.3-20.130.8000111.8I414 S428 A434 L435 V436I414-P432 HydrophobicContact CG2-CB 4.13Å; I414-P432 HydrophobicContact CG2-CG 4.2Å; I414-P432 WeakPolarHBondContact O-CG 3.41Å; S428-P432 WeakPolarHBondContact O-CD 3.13Å; P432-A434 VanDerWaalsContact C-N 3.25Å; P432-A434 PolarHBondContact O-N 3.28Å; P432-L435 PolarHBondContact O-N 3.27Å; P432-V436 HydrophobicContact CB-CG2 4.3Å; P432-V436 VanDerWaalsContact O-CB 3.31Å; P432-V436 WeakPolarHBondContact O-CB 3.27Å; P432-V436 WeakPolarHBondContact O-CG2 3.25Å; P432-V436 PolarHBondContact O-N 2.85Å
433A95Very high92.3Very high90 Ų9064.5 Ų64.574%0.74434%0.341SS*.Hα-helixtrans-61.3-33.3177.900000112.9R430 V431R430-A433 PolarHBondContact O-N 2.77Å; V431-A433 VanDerWaalsContact C-N 3.29Å; V431-A433 PolarHBondContact O-N 2.87Å
434A94.8Very high92.2Very high35 Ų3562 Ų6229%0.28932%0.32SS..Hα-helixtrans-86.3-31.8-178.700000114.3R430 V431 P432 R438 I451R430-A434 WeakPolarHBondContact O-CB 3.41Å; R430-A434 PolarHBondContact O-N 3.39Å; V431-A434 PolarHBondContact O-N 3.47Å; V431-A434 VanDerWaalsContact O-N 3.14Å; P432-A434 VanDerWaalsContact C-N 3.25Å; P432-A434 PolarHBondContact O-N 3.28Å; A434-R438 PolarHBondContact O-NE 3.32Å; A434-I451 HydrophobicContact CB-CD1 3.46Å; A434-I451 VanDerWaalsContact CB-CD1 3.46Å
435L95.3Very high91.8Very high0 Ų062.3 Ų62.30%032%0.322CS..Hα-helixtrans-113.8-19.6-165.8-60.7-174.6000115.3I411 V431 P432 G437 R438 S444 K447 M448I411-L435 HydrophobicContact CD1-CB 4.01Å; V431-L435 HydrophobicContact CG1-CD1 3.74Å; V431-L435 HydrophobicContact CG1-CG 4.33Å; V431-L435 WeakPolarHBondContact O-CB 3.29Å; V431-L435 PolarHBondContact O-N 2.98Å; P432-L435 PolarHBondContact O-N 3.27Å; L435-G437 PolarHBondContact O-N 2.61Å; L435-R438 VanDerWaalsContact O-CB 3.32Å; L435-R438 WeakPolarHBondContact O-CB 3.45Å; L435-R438 PolarHBondContact O-N 3.17Å; L435-S444 WeakPolarHBondContact CD1-O 3.2Å; L435-K447 HydrophobicContact CD2-CB 4.44Å; L435-M448 HydrophobicContact CD1-CB 3.92Å; L435-M448 HydrophobicContact CD1-CE 3.56Å; L435-M448 HydrophobicContact CD1-CG 4.12Å
436V95Very high91.3Very high73 Ų7366.3 Ų66.344%0.44234%0.343SS..THydrogen-bonded Turntrans-60.1132.7175.9170.40000109.8I411 H412 I414 P432 R438I411-V436 HydrophobicContact CG2-CG2 4.43Å; H412-V436 WeakPolarHBondContact O-CG1 3.49Å; I414-V436 HydrophobicContact CG2-CG2 4.43Å; P432-V436 HydrophobicContact CB-CG2 4.3Å; P432-V436 VanDerWaalsContact O-CB 3.31Å; P432-V436 WeakPolarHBondContact O-CB 3.27Å; P432-V436 WeakPolarHBondContact O-CG2 3.25Å; P432-V436 PolarHBondContact O-N 2.85Å; V436-R438 VanDerWaalsContact C-N 3.3Å
437G93.5Very high91.2Very high54 Ų5464.6 Ų64.656%0.55734%0.339SS*.THydrogen-bonded Turntrans87.4-15.1-173.400000114.5I411 L435I411-G437 PolarHBondContact O-N 3.44Å; L435-G437 PolarHBondContact O-N 2.61Å
438R94.1Very high91.1Very high145 Ų14564 Ų6455%0.54734%0.335SS..SBendtrans-81160.4174-61.5-162.3178-145-3.1111.8H410 I411 A434 L435 V436H410-R438 WeakPolarHBondContact CA-O 3.38Å; I411-R438 PolarHBondContact N-O 3.09Å; A434-R438 PolarHBondContact O-NE 3.32Å; L435-R438 VanDerWaalsContact O-CB 3.32Å; L435-R438 WeakPolarHBondContact O-CB 3.45Å; L435-R438 PolarHBondContact O-N 3.17Å; V436-R438 VanDerWaalsContact C-N 3.3Å
439R90.8Very high90.8Very high144 Ų14464.3 Ų64.354%0.54334%0.336SS..BIsolated β-bridgetrans-78144.9170.8-169.2175.6175.9162.4-1.1110.2S409 S441 S444S409-R439 WeakPolarHBondContact O-CA 3.4Å; S409-R439 WeakPolarHBondContact O-CG 3.42Å; R439-S441 PolarHBondContact O-N 3.33Å; R439-S441 VanDerWaalsContact O-N 3.15Å; R439-S444 PolarHBondContact O-OG 2.83Å
440W88.7Confident90.6Very high10 Ų1061.7 Ų61.74%0.03833%0.326CS..  trans-65.9110.2168.9-165.1-88.9000109.7V404 L406 S409 I411 I414 V445 M448 F481 C482 I485 L489V404-W440 HydrophobicContact CB-CZ3 4.38Å; V404-W440 HydrophobicContact CG1-CZ3 4.42Å; V404-W440 HydrophobicContact CG2-CE3 4.23Å; V404-W440 HydrophobicContact CG2-CZ3 3.92Å; L406-W440 HydrophobicContact CD2-CB 4.09Å; L406-W440 HydrophobicContact CD2-CE3 4.13Å; S409-W440 PolarHBondContact O-N 2.92Å; I411-W440 HydrophobicContact CD1-CE3 3.82Å; I411-W440 HydrophobicContact CD1-CZ3 4.32Å; I411-W440 HydrophobicContact CG1-CE3 3.91Å; I414-W440 HydrophobicContact CD1-CZ3 4.15Å; W440-V445 HydrophobicContact CZ2-CG2 4.37Å; W440-M448 HydrophobicContact CH2-CE 3.94Å; W440-M448 HydrophobicContact CZ3-CE 4.1Å; W440-F481 HydrophobicContact CH2-CD1 4.44Å; W440-F481 HydrophobicContact CH2-CE1 4.07Å; W440-C482 HydrophobicContact CZ2-CB 3.98Å; W440-I485 HydrophobicContact CD2-CG2 3.9Å; W440-I485 VanDerWaalsContact CE2-CG2 3.48Å; W440-I485 HydrophobicContact CG-CG2 4.27Å; W440-I485 HydrophobicContact CH2-CG1 4.35Å; W440-I485 HydrophobicContact CH2-CG2 4.43Å; W440-I485 HydrophobicContact CZ2-CB 3.85Å; W440-I485 HydrophobicContact CZ2-CG1 4.15Å; W440-I485 HydrophobicContact CZ2-CG2 3.81Å; W440-L489 HydrophobicContact CB-CD1 4.41Å; W440-L489 HydrophobicContact CG-CD1 4.26Å
441S85Confident90.5Very high35 Ų3557.6 Ų57.625%0.24531%0.311CS..  trans-147.3169.3-177710000110.6R439 E443 S444 V445R439-S441 PolarHBondContact O-N 3.33Å; R439-S441 VanDerWaalsContact O-N 3.15Å; S441-E443 VanDerWaalsContact C-N 3.3Å; S441-E443 PolarHBondContact O-N 3.11Å; S441-S444 WeakPolarHBondContact O-CB 3.46Å; S441-S444 PolarHBondContact O-N 3.33Å; S441-S444 PolarHBondContact OG-N 3.33Å; S441-S444 PolarHBondContact OG-OG 3.31Å; S441-V445 WeakPolarHBondContact O-CG2 3.19Å; S441-V445 PolarHBondContact O-N 3.29Å; S441-V445 VanDerWaalsContact O-N 3.08Å
442I80.4Confident90.4Very high136 Ų13657.7 Ų57.770%0.69731%0.311SS*.Hα-helixtrans-57.8-43.7175.1-68.2168000110.8S444 V445 D446I442-S444 VanDerWaalsContact C-N 3.29Å; I442-S444 PolarHBondContact O-N 2.93Å; I442-V445 CarbonylContact O-C 3.5Å; I442-V445 WeakPolarHBondContact O-CA 3.45Å; I442-V445 WeakPolarHBondContact O-CB 3.43Å; I442-V445 PolarHBondContact O-N 3.04Å; I442-D446 PolarHBondContact O-N 3.27Å
443E86.1Confident90Very high148 Ų14857.2 Ų57.269%0.69231%0.311SS*.Hα-helixtrans-61.9-37.9178.3-60.9144.7158.600112.1S441 V445 D446 K447S441-E443 VanDerWaalsContact C-N 3.3Å; S441-E443 PolarHBondContact O-N 3.11Å; E443-V445 VanDerWaalsContact C-N 3.31Å; E443-D446 PolarHBondContact O-N 2.8Å; E443-K447 WeakPolarHBondContact O-CB 3.42Å; E443-K447 PolarHBondContact O-N 3.25Å
444S87.5Confident89.8Confident4 Ų457.8 Ų57.83%0.02830%0.298CS..Hα-helixtrans-65-36.3174.5-65.40000111.4L435 R439 S441 I442 M448L435-S444 WeakPolarHBondContact CD1-O 3.2Å; R439-S444 PolarHBondContact O-OG 2.83Å; S441-S444 WeakPolarHBondContact O-CB 3.46Å; S441-S444 PolarHBondContact O-N 3.33Å; S441-S444 PolarHBondContact OG-N 3.33Å; S441-S444 PolarHBondContact OG-OG 3.31Å; I442-S444 VanDerWaalsContact C-N 3.29Å; I442-S444 PolarHBondContact O-N 2.93Å; S444-M448 WeakPolarHBondContact O-CB 3.3Å; S444-M448 PolarHBondContact O-N 3.3Å; S444-M448 VanDerWaalsContact O-N 3.08Å
445V87.1Confident89.6Confident24 Ų2457.9 Ų57.915%0.14529%0.292CS..Hα-helixtrans-69-48.1174.9174.80000110.9W440 S441 I442 E443 K447 M448 L449 C482W440-V445 HydrophobicContact CZ2-CG2 4.37Å; S441-V445 WeakPolarHBondContact O-CG2 3.19Å; S441-V445 PolarHBondContact O-N 3.29Å; S441-V445 VanDerWaalsContact O-N 3.08Å; I442-V445 CarbonylContact O-C 3.5Å; I442-V445 WeakPolarHBondContact O-CA 3.45Å; I442-V445 WeakPolarHBondContact O-CB 3.43Å; I442-V445 PolarHBondContact O-N 3.04Å; E443-V445 VanDerWaalsContact C-N 3.31Å; V445-K447 VanDerWaalsContact C-N 3.28Å; V445-K447 PolarHBondContact O-N 3.38Å; V445-M448 WeakPolarHBondContact O-CA 3.44Å; V445-M448 WeakPolarHBondContact O-CB 3.13Å; V445-M448 PolarHBondContact O-N 3.08Å; V445-M448 VanDerWaalsContact O-N 3.08Å; V445-L449 HydrophobicContact CG1-CD1 4.24Å; V445-L449 WeakPolarHBondContact O-CG 3.48Å; V445-L449 PolarHBondContact O-N 3.31Å; V445-C482 HydrophobicContact CG1-CB 4.05Å; V445-C482 HydrophobicContact CG2-CB 3.9Å
446D83.7Confident89.4Confident84 Ų8458.6 Ų58.645%0.44930%0.295SS..Hα-helixtrans-59.3-42.9178.3-75.1-25.5000111.4I442 E443 M448 L449 E450I442-D446 PolarHBondContact O-N 3.27Å; E443-D446 PolarHBondContact O-N 2.8Å; D446-M448 VanDerWaalsContact C-N 3.29Å; D446-M448 PolarHBondContact O-N 3.14Å; D446-L449 PolarHBondContact O-N 3.4Å; D446-E450 PolarHBondContact O-N 3.46Å
447K90.4Very high89.1Confident87 Ų8761.1 Ų61.138%0.37830%0.302SS..Hα-helixtrans-65.4-35.8177.3-168.259.1-176.9172.40112.4L435 E443 V445 E450 I451L435-K447 HydrophobicContact CD2-CB 4.44Å; E443-K447 WeakPolarHBondContact O-CB 3.42Å; E443-K447 PolarHBondContact O-N 3.25Å; V445-K447 VanDerWaalsContact C-N 3.28Å; V445-K447 PolarHBondContact O-N 3.38Å; K447-E450 WeakPolarHBondContact CD-OE2 3.23Å; K447-E450 IonicContact NZ-OE2 3.96Å; K447-E450 PolarHBondContact NZ-OE2 3.49Å; K447-I451 HydrophobicContact CG-CD1 4.2Å; K447-I451 WeakPolarHBondContact O-CD1 3.33Å; K447-I451 VanDerWaalsContact O-CG1 3.27Å; K447-I451 WeakPolarHBondContact O-CG1 3.45Å; K447-I451 PolarHBondContact O-N 3.5Å; K447-I451 VanDerWaalsContact O-N 3.14Å
448M90.9Very high88.9Confident0 Ų059.6 Ų59.60%028%0.281CS..Hα-helixtrans-60.4-47.8173.9-163.3-177-52.400111.2I414 L416 V431 L435 W440 S444 V445 D446 I451 L452 V478I414-M448 HydrophobicContact CD1-CE 3.71Å; I414-M448 HydrophobicContact CD1-SD 4.22Å; L416-M448 HydrophobicContact CD1-CG 3.87Å; L416-M448 HydrophobicContact CD1-SD 3.63Å; V431-M448 HydrophobicContact CG1-CG 3.77Å; V431-M448 HydrophobicContact CG1-SD 4.46Å; V431-M448 HydrophobicContact CG2-CG 3.94Å; L435-M448 HydrophobicContact CD1-CB 3.92Å; L435-M448 HydrophobicContact CD1-CE 3.56Å; L435-M448 HydrophobicContact CD1-CG 4.12Å; W440-M448 HydrophobicContact CH2-CE 3.94Å; W440-M448 HydrophobicContact CZ3-CE 4.1Å; S444-M448 WeakPolarHBondContact O-CB 3.3Å; S444-M448 PolarHBondContact O-N 3.3Å; S444-M448 VanDerWaalsContact O-N 3.08Å; V445-M448 WeakPolarHBondContact O-CA 3.44Å; V445-M448 WeakPolarHBondContact O-CB 3.13Å; V445-M448 PolarHBondContact O-N 3.08Å; V445-M448 VanDerWaalsContact O-N 3.08Å; D446-M448 VanDerWaalsContact C-N 3.29Å; D446-M448 PolarHBondContact O-N 3.14Å; M448-I451 PolarHBondContact O-N 3.25Å; M448-L452 HydrophobicContact CG-CD1 4.27Å; M448-L452 VanDerWaalsContact O-CG 3.28Å; M448-L452 WeakPolarHBondContact O-CG 3.25Å; M448-L452 PolarHBondContact O-N 3.43Å; M448-V478 HydrophobicContact CG-CG1 4.2Å; M448-V478 HydrophobicContact SD-CG1 3.44Å; M448-V478 WeakPolarHBondContact SD-CG1 3.31Å
449L89.4Confident88.5Confident11 Ų1160.7 Ų60.76%0.05829%0.29CS..Hα-helixtrans-66.5-38.8-178.7-64.1175.7000112.4V445 D446 L452 A453 M475 V478 L1293V445-L449 HydrophobicContact CG1-CD1 4.24Å; V445-L449 WeakPolarHBondContact O-CG 3.48Å; V445-L449 PolarHBondContact O-N 3.31Å; D446-L449 PolarHBondContact O-N 3.4Å; L449-L452 PolarHBondContact O-N 2.97Å; L449-A453 WeakPolarHBondContact O-CB 3.39Å; L449-A453 PolarHBondContact O-N 3.44Å; L449-A453 VanDerWaalsContact O-N 3.08Å; L449-M475 HydrophobicContact CD2-CB 4.14Å; L449-V478 HydrophobicContact CD2-CB 4.35Å; L449-V478 HydrophobicContact CD2-CG1 4.19Å; L449-L1293 HydrophobicContact CD1-CD2 4.15Å
450E89.5Confident88Confident85 Ų8557.7 Ų57.740%0.39729%0.29SS..Hα-helixtrans-58-49171.4-83.6-174.5167.600112.2D446 K447 L452 A453 E454D446-E450 PolarHBondContact O-N 3.46Å; K447-E450 WeakPolarHBondContact CD-OE2 3.23Å; K447-E450 IonicContact NZ-OE2 3.96Å; K447-E450 PolarHBondContact NZ-OE2 3.49Å; E450-L452 VanDerWaalsContact C-N 3.31Å; E450-L452 PolarHBondContact O-N 3.33Å; E450-A453 PolarHBondContact O-N 3.32Å; E450-E454 PolarHBondContact O-N 3.42Å
451I94.1Very high87.5Confident6 Ų660.7 Ų60.73%0.03132%0.323CS..Hα-helixtrans-60.3-44.7-178.5-71.3168.1000110.6R430 V431 A434 K447 M448 A453 E454 E455R430-I451 HydrophobicContact CB-CG2 3.37Å; R430-I451 HydrophobicContact CG-CG2 4.44Å; V431-I451 HydrophobicContact CG2-CB 4.11Å; V431-I451 HydrophobicContact CG2-CG2 3.71Å; A434-I451 HydrophobicContact CB-CD1 3.46Å; A434-I451 VanDerWaalsContact CB-CD1 3.46Å; K447-I451 HydrophobicContact CG-CD1 4.2Å; K447-I451 WeakPolarHBondContact O-CD1 3.33Å; K447-I451 VanDerWaalsContact O-CG1 3.27Å; K447-I451 WeakPolarHBondContact O-CG1 3.45Å; K447-I451 PolarHBondContact O-N 3.5Å; K447-I451 VanDerWaalsContact O-N 3.14Å; M448-I451 PolarHBondContact O-N 3.25Å; I451-A453 PolarHBondContact O-N 3.07Å; I451-E454 PolarHBondContact O-N 3.01Å; I451-E455 VanDerWaalsContact O-CB 3.27Å; I451-E455 WeakPolarHBondContact O-CB 3.4Å; I451-E455 PolarHBondContact O-N 3.34Å
452L92Very high87.6Confident2 Ų260.7 Ų60.71%0.0132%0.322CS..Hα-helixtrans-65.1-38.7-179.1-67.9169000112.5L416 F418 V431 M448 L449 E450 E454 E455 F456 V478L416-L452 HydrophobicContact CD1-CD1 4.2Å; L416-L452 HydrophobicContact CD1-CD2 4.4Å; F418-L452 HydrophobicContact CE2-CD2 4.02Å; F418-L452 HydrophobicContact CZ-CD2 4.24Å; V431-L452 HydrophobicContact CG2-CD2 4.22Å; V431-L452 HydrophobicContact CG2-CG 4.26Å; M448-L452 HydrophobicContact CG-CD1 4.27Å; M448-L452 VanDerWaalsContact O-CG 3.28Å; M448-L452 WeakPolarHBondContact O-CG 3.25Å; M448-L452 PolarHBondContact O-N 3.43Å; L449-L452 PolarHBondContact O-N 2.97Å; E450-L452 VanDerWaalsContact C-N 3.31Å; E450-L452 PolarHBondContact O-N 3.33Å; L452-E454 VanDerWaalsContact C-N 3.25Å; L452-E454 PolarHBondContact O-N 3.34Å; L452-E455 PolarHBondContact O-N 2.83Å; L452-F456 HydrophobicContact CD2-CD2 3.93Å; L452-F456 HydrophobicContact CD2-CE2 3.75Å; L452-F456 PolarHBondContact O-N 2.99Å; L452-F456 VanDerWaalsContact O-N 3.15Å; L452-V478 HydrophobicContact CD1-CB 3.92Å; L452-V478 HydrophobicContact CD1-CG1 3.87Å; L452-V478 HydrophobicContact CD1-CG2 3.63Å
453A86.8Confident87.8Confident28 Ų2859.7 Ų59.723%0.23132%0.324CS..Hα-helixtrans-62.4-32.7176.800000112.7L449 E450 I451 Q457 M475L449-A453 WeakPolarHBondContact O-CB 3.39Å; L449-A453 PolarHBondContact O-N 3.44Å; L449-A453 VanDerWaalsContact O-N 3.08Å; E450-A453 PolarHBondContact O-N 3.32Å; I451-A453 PolarHBondContact O-N 3.07Å; A453-Q457 VanDerWaalsContact O-CG 3.25Å; A453-Q457 WeakPolarHBondContact O-CG 3.33Å; A453-M475 HydrophobicContact CB-SD 3.79Å
454E90.4Very high87.7Confident103 Ų10355.6 Ų55.648%0.48132%0.322SS..Hα-helixtrans-83.1-41.4175.7-67.7176-174.400112.8R430 E450 I451 L452R430-E454 IonicContact CZ-OE2 3.98Å; R430-E454 VanDerWaalsContact CZ-OE2 3.28Å; R430-E454 IonicContact NH1-OE2 3.08Å; R430-E454 PolarHBondContact NH1-OE2 3.41Å; R430-E454 IonicContact NH2-OE2 3.74Å; R430-E454 PolarHBondContact NH2-OE2 3.07Å; E450-E454 PolarHBondContact O-N 3.42Å; I451-E454 PolarHBondContact O-N 3.01Å; L452-E454 VanDerWaalsContact C-N 3.25Å; L452-E454 PolarHBondContact O-N 3.34Å
455E92.1Very high87.7Confident36 Ų3656.6 Ų56.617%0.16833%0.333CS..Hα-helixtrans-73.8-38.2-170.7-173.1172.5177.300113S428 F429 R430 I451 L452S428-E455 VanDerWaalsContact CA-OE1 3.26Å; S428-E455 WeakPolarHBondContact CA-OE1 3.48Å; S428-E455 WeakPolarHBondContact CB-OE2 3.39Å; S428-E455 PolarHBondContact OG-OE2 3.33Å; F429-E455 WeakPolarHBondContact CD1-OE1 3.31Å; F429-E455 HydrophobicContact CE1-CG 4.27Å; F429-E455 WeakPolarHBondContact CE1-OE1 3.37Å; F429-E455 PolarHBondContact N-OE1 2.94Å; R430-E455 WeakPolarHBondContact CB-OE2 3.32Å; I451-E455 VanDerWaalsContact O-CB 3.27Å; I451-E455 WeakPolarHBondContact O-CB 3.4Å; I451-E455 PolarHBondContact O-N 3.34Å; L452-E455 PolarHBondContact O-N 2.83Å
456F89.7Confident87.8Confident15 Ų1556.4 Ų56.47%0.06633%0.33CS..THydrogen-bonded Turntrans-102.633.2-176.8-68.5-71.8000113.4F418 L421 R426 L452 L458 M471F418-F456 HydrophobicContact CD2-CD2 4.47Å; F418-F456 HydrophobicContact CD2-CE1 4.44Å; F418-F456 AromaticContact CD2-CE2 3.72Å; F418-F456 HydrophobicContact CD2-CE2 3.72Å; F418-F456 AromaticContact CD2-CZ 3.7Å; F418-F456 HydrophobicContact CD2-CZ 3.7Å; F418-F456 HydrophobicContact CE2-CD2 4.43Å; F418-F456 AromaticContact CE2-CE2 3.71Å; F418-F456 HydrophobicContact CE2-CE2 3.71Å; F418-F456 HydrophobicContact CE2-CZ 4.14Å; L421-F456 HydrophobicContact CB-CD1 3.99Å; L421-F456 HydrophobicContact CD1-CB 4.2Å; L421-F456 HydrophobicContact CD1-CD1 4.06Å; L421-F456 HydrophobicContact CD1-CD2 4.45Å; L421-F456 HydrophobicContact CD1-CG 3.99Å; R426-F456 HydrophobicContact CB-CE1 4.27Å; L452-F456 HydrophobicContact CD2-CD2 3.93Å; L452-F456 HydrophobicContact CD2-CE2 3.75Å; L452-F456 PolarHBondContact O-N 2.99Å; L452-F456 VanDerWaalsContact O-N 3.15Å; F456-L458 PolarHBondContact O-N 2.93Å; F456-M471 WeakPolarHBondContact O-CG 3.5Å
457Q88.5Confident88.2Confident126 Ų12654.1 Ų54.159%0.58932%0.317SS*.PPolyproline II helixtrans-63.5125.1175-76.4-166.2-900112.1A453A453-Q457 VanDerWaalsContact O-CG 3.25Å; A453-Q457 WeakPolarHBondContact O-CG 3.33Å
458L89.4Confident88.2Confident22 Ų2250.5 Ų50.512%0.11530%0.304CS..PPolyproline II helixtrans-100.4132.4176.3-64.3178.6000110.4L421 F456 T462 E467 R470 M471L421-L458 HydrophobicContact CD2-CD1 4.34Å; L421-L458 WeakPolarHBondContact O-CD2 3.46Å; F456-L458 PolarHBondContact O-N 2.93Å; L458-T462 HydrophobicContact CD2-CG2 4.29Å; L458-E467 HydrophobicContact CB-CB 3.95Å; L458-E467 HydrophobicContact CB-CG 3.93Å; L458-R470 HydrophobicContact CD1-CB 3.75Å; L458-M471 HydrophobicContact CB-CE 4.4Å; L458-M471 HydrophobicContact CB-CG 4.36Å; L458-M471 HydrophobicContact CB-SD 4.33Å; L458-M471 HydrophobicContact CD1-CG 4.35Å; L458-M471 HydrophobicContact CG-CG 4.18Å; L458-M471 PolarHBondContact N-SD 2.77Å; L458-M471 VanDerWaalsContact N-SD 3.38Å
459K86.5Confident88.4Confident168 Ų16850.6 Ų50.673%0.7330%0.304SS*.PPolyproline II helixtrans-80.3147.8177.6-65.6-179.3-177.7176.80110.6G461 T462K459-G461 PolarHBondContact O-N 2.92Å; K459-T462 WeakPolarHBondContact O-CB 3.28Å; K459-T462 PolarHBondContact O-N 2.83Å; K459-T462 PolarHBondContact O-OG1 3.05Å
460P79.4Confident88.6Confident82 Ų8251 Ų5153%0.53231%0.305SS..THydrogen-bonded Turntrans-54135.2172-25.934.4000112.2L1304P460-L1304 HydrophobicContact CB-CD1 3.91Å; P460-L1304 HydrophobicContact CG-CD1 3.98Å
461G78.3Confident88.8Confident72 Ų7248 Ų4874%0.74229%0.291SS*.THydrogen-bonded Turntrans87.111.6-177.200000113.6K459 E467K459-G461 PolarHBondContact O-N 2.92Å; G461-E467 PolarHBondContact N-OE1 3.16Å
462T87.1Confident88.7Confident35 Ų3547.7 Ų47.722%0.21529%0.289CS..  trans-62.6134.9173.7-65.20000108.9L458 K459 G464 G465 E467 R470L458-T462 HydrophobicContact CD2-CG2 4.29Å; K459-T462 WeakPolarHBondContact O-CB 3.28Å; K459-T462 PolarHBondContact O-N 2.83Å; K459-T462 PolarHBondContact O-OG1 3.05Å; T462-G464 PolarHBondContact O-N 2.87Å; T462-G465 PolarHBondContact O-N 2.84Å; T462-E467 PolarHBondContact N-OE1 3.15Å; T462-R470 VanDerWaalsContact CG2-NH2 3.32Å
463P84.8Confident88.8Confident116 Ų11647.6 Ų47.675%0.75329%0.289SS*.THydrogen-bonded Turntrans-48.7136.5175.8-29.235.6000112.6R470P463-R470 PolarHBondContact O-NH1 3.33Å; P463-R470 PolarHBondContact O-NH2 2.85Å; P463-R470 VanDerWaalsContact O-NH2 3.16Å
464G83.7Confident89.1Confident62 Ų6246.3 Ų46.364%0.63928%0.278SS*.THydrogen-bonded Turntrans91.4-21.5-173.100000115.1T462T462-G464 PolarHBondContact O-N 2.87Å
465G87.3Confident89.1Confident25 Ų2541.4 Ų41.426%0.25826%0.255SS..  trans65.5-152.6-177.100000112.8T462 E467 R470T462-G465 PolarHBondContact O-N 2.84Å; G465-E467 VanDerWaalsContact C-OE2 3.27Å; G465-E467 PolarHBondContact O-N 3.4Å; G465-E467 VanDerWaalsContact O-N 3.16Å; G465-R470 PolarHBondContact O-NE 2.85Å; G465-R470 PolarHBondContact O-NH2 2.83Å
466M89.9Confident89.1Confident19 Ų1939.7 Ų39.79%0.09425%0.247CC..  trans55.833.8174.2-52.6175.7151.200113.1I397 A468 Y469 R470 E1283I397-M466 HydrophobicContact CD1-SD 4.21Å; M466-A468 PolarHBondContact O-N 2.85Å; M466-Y469 HydrophobicContact CB-CD1 4.31Å; M466-Y469 PolarHBondContact O-N 3.38Å; M466-Y469 HydrophobicContact SD-CD1 4.48Å; M466-R470 HydrophobicContact CB-CG 4.48Å; M466-R470 WeakPolarHBondContact O-CB 3.38Å; M466-R470 WeakPolarHBondContact O-CG 3.28Å; M466-R470 PolarHBondContact O-N 3.15Å; M466-E1283 WeakPolarHBondContact CA-OE1 3.3Å; M466-E1283 WeakPolarHBondContact CB-OE1 3.48Å; M466-E1283 HydrophobicContact CE-CB 4.23Å; M466-E1283 VanDerWaalsContact CE-OE2 3.29Å; M466-E1283 WeakPolarHBondContact CE-OE2 3.37Å; M466-E1283 WeakPolarHBondContact CG-OE1 2.92Å
467E91.6Very high89.1Confident36 Ų3639.1 Ų39.117%0.16825%0.245CC..Hα-helixtrans-57.6-50.6-170.5-67.689.7156.600111.8L458 G461 T462 G465 Y469 R470 M471L458-E467 HydrophobicContact CB-CB 3.95Å; L458-E467 HydrophobicContact CB-CG 3.93Å; G461-E467 PolarHBondContact N-OE1 3.16Å; T462-E467 PolarHBondContact N-OE1 3.15Å; G465-E467 VanDerWaalsContact C-OE2 3.27Å; G465-E467 PolarHBondContact O-N 3.4Å; G465-E467 VanDerWaalsContact O-N 3.16Å; E467-Y469 VanDerWaalsContact C-N 3.33Å; E467-Y469 PolarHBondContact O-N 3.07Å; E467-R470 PolarHBondContact O-N 3.47Å; E467-M471 HydrophobicContact CB-CE 4.23Å; E467-M471 WeakPolarHBondContact O-CE 3.27Å; E467-M471 WeakPolarHBondContact O-CG 3.48Å; E467-M471 PolarHBondContact O-N 3.25Å
468A90.8Very high89.2Confident12 Ų1233.1 Ų33.110%0.09922%0.217CC..Hα-helixtrans-58.4-43.717700000112.5M466 T472 M1287 V1297M466-A468 PolarHBondContact O-N 2.85Å; A468-T472 WeakPolarHBondContact O-CB 3.49Å; A468-T472 PolarHBondContact O-N 2.87Å; A468-T472 PolarHBondContact O-OG1 2.85Å; A468-M1287 HydrophobicContact CB-CE 4.09Å; A468-V1297 HydrophobicContact CB-CG1 4.43Å
469Y94.5Very high89.2Confident1 Ų132.4 Ų32.40%0.00421%0.214CC..Hα-helixtrans-69-41.5179.8174.6-129.7000112.4Q387 I397 M466 E467 T472 L473 T1151 C1282 E1283 R1286 M1287Q387-Y469 VanDerWaalsContact CG-OH 3.29Å; Q387-Y469 WeakPolarHBondContact CG-OH 3.48Å; I397-Y469 HydrophobicContact CD1-CE1 3.9Å; I397-Y469 HydrophobicContact CG2-CD1 4.26Å; I397-Y469 HydrophobicContact CG2-CE1 4.15Å; M466-Y469 HydrophobicContact CB-CD1 4.31Å; M466-Y469 PolarHBondContact O-N 3.38Å; M466-Y469 HydrophobicContact SD-CD1 4.48Å; E467-Y469 VanDerWaalsContact C-N 3.33Å; E467-Y469 PolarHBondContact O-N 3.07Å; Y469-T472 PolarHBondContact O-N 2.88Å; Y469-L473 HydrophobicContact CD1-CD1 4.12Å; Y469-L473 HydrophobicContact CD2-CD1 4.24Å; Y469-L473 HydrophobicContact CD2-CG 3.96Å; Y469-L473 HydrophobicContact CE1-CD1 3.67Å; Y469-L473 HydrophobicContact CE1-CG 4.38Å; Y469-L473 HydrophobicContact CE2-CD1 3.79Å; Y469-L473 HydrophobicContact CE2-CD2 3.76Å; Y469-L473 HydrophobicContact CE2-CG 3.57Å; Y469-L473 HydrophobicContact CG-CD1 4.4Å; Y469-L473 WeakPolarHBondContact O-CB 3.27Å; Y469-L473 WeakPolarHBondContact O-CG 3.38Å; Y469-L473 PolarHBondContact O-N 2.63Å; Y469-T1151 WeakPolarHBondContact CE2-O 3.38Å; Y469-T1151 PolarHBondContact OH-O 3.11Å; Y469-C1282 WeakPolarHBondContact OH-CB 3.04Å; Y469-C1282 PolarHBondContact OH-SG 3.3Å; Y469-E1283 HydrophobicContact CD1-CB 3.57Å; Y469-E1283 HydrophobicContact CD1-CG 3.98Å; Y469-E1283 HydrophobicContact CE1-CB 3.88Å; Y469-E1283 HydrophobicContact CG-CB 3.93Å; Y469-E1283 HydrophobicContact CG-CG 3.95Å; Y469-R1286 HydrophobicContact CD2-CB 3.83Å; Y469-R1286 HydrophobicContact CD2-CG 3.82Å; Y469-R1286 HydrophobicContact CE2-CB 3.44Å; Y469-R1286 VanDerWaalsContact CE2-CB 3.44Å; Y469-R1286 HydrophobicContact CE2-CG 3.65Å; Y469-M1287 HydrophobicContact CD2-SD 4.48Å
470R95Very high89.2Confident19 Ų1926.5 Ų26.57%0.07219%0.188CC..Hα-helixtrans-61.5-45.7175.9-76-167-74.4171.7-10112.1I397 V398 G420 L421 L458 T462 P463 G465 M466 E467 T472 L473 C474I397-R470 HydrophobicContact CG2-CG 3.73Å; V398-R470 HydrophobicContact CG2-CB 3.92Å; V398-R470 HydrophobicContact CG2-CG 3.86Å; G420-R470 WeakPolarHBondContact O-CD 3.25Å; G420-R470 PolarHBondContact O-NH1 3.35Å; L421-R470 HydrophobicContact CD2-CB 3.96Å; L458-R470 HydrophobicContact CD1-CB 3.75Å; T462-R470 VanDerWaalsContact CG2-NH2 3.32Å; P463-R470 PolarHBondContact O-NH1 3.33Å; P463-R470 PolarHBondContact O-NH2 2.85Å; P463-R470 VanDerWaalsContact O-NH2 3.16Å; G465-R470 PolarHBondContact O-NE 2.85Å; G465-R470 PolarHBondContact O-NH2 2.83Å; M466-R470 HydrophobicContact CB-CG 4.48Å; M466-R470 WeakPolarHBondContact O-CB 3.38Å; M466-R470 WeakPolarHBondContact O-CG 3.28Å; M466-R470 PolarHBondContact O-N 3.15Å; E467-R470 PolarHBondContact O-N 3.47Å; R470-T472 VanDerWaalsContact C-N 3.33Å; R470-T472 PolarHBondContact O-N 3.1Å; R470-L473 PolarHBondContact O-N 3.2Å; R470-C474 PolarHBondContact O-N 3.39Å
471M93.1Very high89.6Confident22 Ų2222.6 Ų22.611%0.10816%0.163CC..Hα-helixtrans-62.5-41.5175.1-72-175.4-77.300111.6F456 L458 E467 C474 M475 V1297F456-M471 WeakPolarHBondContact O-CG 3.5Å; L458-M471 HydrophobicContact CB-CE 4.4Å; L458-M471 HydrophobicContact CB-CG 4.36Å; L458-M471 HydrophobicContact CB-SD 4.33Å; L458-M471 HydrophobicContact CD1-CG 4.35Å; L458-M471 HydrophobicContact CG-CG 4.18Å; L458-M471 PolarHBondContact N-SD 2.77Å; L458-M471 VanDerWaalsContact N-SD 3.38Å; E467-M471 HydrophobicContact CB-CE 4.23Å; E467-M471 WeakPolarHBondContact O-CE 3.27Å; E467-M471 WeakPolarHBondContact O-CG 3.48Å; E467-M471 PolarHBondContact O-N 3.25Å; M471-C474 WeakPolarHBondContact O-CB 3.45Å; M471-C474 PolarHBondContact O-N 2.99Å; M471-M475 PolarHBondContact O-N 2.83Å; M471-V1297 HydrophobicContact CB-CG1 3.56Å; M471-V1297 HydrophobicContact CB-CG2 4.18Å; M471-V1297 HydrophobicContact CE-CG1 3.37Å; M471-V1297 HydrophobicContact CG-CG1 4.27Å; M471-V1297 HydrophobicContact SD-CG1 3.81Å
472T92.5Very high90.1Very high0 Ų019.5 Ų19.50%013%0.13CC..Hα-helixtrans-62.5-46.4175.5-56.70000111A468 Y469 R470 C474 M475 S476 R1286 A1294A468-T472 WeakPolarHBondContact O-CB 3.49Å; A468-T472 PolarHBondContact O-N 2.87Å; A468-T472 PolarHBondContact O-OG1 2.85Å; Y469-T472 PolarHBondContact O-N 2.88Å; R470-T472 VanDerWaalsContact C-N 3.33Å; R470-T472 PolarHBondContact O-N 3.1Å; T472-C474 VanDerWaalsContact C-N 3.3Å; T472-C474 PolarHBondContact O-N 3.14Å; T472-M475 PolarHBondContact O-N 3.48Å; T472-M475 VanDerWaalsContact O-N 3.14Å; T472-S476 WeakPolarHBondContact O-CB 3.27Å; T472-S476 PolarHBondContact O-N 3.44Å; T472-S476 PolarHBondContact O-OG 2.74Å; T472-R1286 HydrophobicContact CG2-CG 4.31Å; T472-R1286 VanDerWaalsContact CG2-CZ 3.41Å; T472-A1294 HydrophobicContact CG2-CB 4.26Å
473L93.4Very high89.7Confident0 Ų018.7 Ų18.70%013%0.125CC..Hα-helixtrans-57.9-39.5177.4-79.6176.6000112.7Q387 I397 V398 Y469 R470 M475 S476 M477 T1151Q387-L473 HydrophobicContact CB-CD1 4.01Å; Q387-L473 HydrophobicContact CB-CD2 4.06Å; Q387-L473 HydrophobicContact CG-CD1 3.96Å; Q387-L473 HydrophobicContact CG-CD2 3.94Å; I397-L473 HydrophobicContact CG2-CD1 4.06Å; V398-L473 HydrophobicContact CB-CB 4.19Å; V398-L473 HydrophobicContact CB-CD1 4.15Å; V398-L473 HydrophobicContact CG2-CB 4.11Å; V398-L473 HydrophobicContact CG2-CD1 4.07Å; Y469-L473 HydrophobicContact CD1-CD1 4.12Å; Y469-L473 HydrophobicContact CD2-CD1 4.24Å; Y469-L473 HydrophobicContact CD2-CG 3.96Å; Y469-L473 HydrophobicContact CE1-CD1 3.67Å; Y469-L473 HydrophobicContact CE1-CG 4.38Å; Y469-L473 HydrophobicContact CE2-CD1 3.79Å; Y469-L473 HydrophobicContact CE2-CD2 3.76Å; Y469-L473 HydrophobicContact CE2-CG 3.57Å; Y469-L473 HydrophobicContact CG-CD1 4.4Å; Y469-L473 WeakPolarHBondContact O-CB 3.27Å; Y469-L473 WeakPolarHBondContact O-CG 3.38Å; Y469-L473 PolarHBondContact O-N 2.63Å; R470-L473 PolarHBondContact O-N 3.2Å; L473-M475 VanDerWaalsContact C-N 3.33Å; L473-M475 PolarHBondContact O-N 2.93Å; L473-S476 PolarHBondContact O-N 3.49Å; L473-M477 WeakPolarHBondContact O-CB 3.37Å; L473-M477 VanDerWaalsContact O-CG 3.28Å; L473-M477 WeakPolarHBondContact O-CG 3.32Å; L473-M477 PolarHBondContact O-N 3.23Å; L473-T1151 HydrophobicContact CD2-CG2 4.18Å
474C93.5Very high89.7Confident1 Ų113.9 Ų13.91%0.0079%0.092CC..Hα-helixtrans-53-52.8174.8178.80000110.9F418 L421 R470 M471 T472 V478F418-C474 HydrophobicContact CE1-CB 4.41Å; F418-C474 VanDerWaalsContact CE1-SG 3.58Å; F418-C474 VanDerWaalsContact CZ-SG 3.51Å; L421-C474 HydrophobicContact CD1-CB 3.7Å; R470-C474 PolarHBondContact O-N 3.39Å; M471-C474 WeakPolarHBondContact O-CB 3.45Å; M471-C474 PolarHBondContact O-N 2.99Å; T472-C474 VanDerWaalsContact C-N 3.3Å; T472-C474 PolarHBondContact O-N 3.14Å; C474-V478 WeakPolarHBondContact O-CG2 3.46Å; C474-V478 PolarHBondContact O-N 2.85Å
475M90.9Very high89.8Confident1 Ų111 Ų111%0.0056%0.061CC..Hα-helixtrans-68.4-39.5179.1-65.3-176.2-71.400112.4L449 A453 M471 T472 L473 V478 S479 L1293 K1296 V1297L449-M475 HydrophobicContact CD2-CB 4.14Å; A453-M475 HydrophobicContact CB-SD 3.79Å; M471-M475 PolarHBondContact O-N 2.83Å; T472-M475 PolarHBondContact O-N 3.48Å; T472-M475 VanDerWaalsContact O-N 3.14Å; L473-M475 VanDerWaalsContact C-N 3.33Å; L473-M475 PolarHBondContact O-N 2.93Å; M475-V478 PolarHBondContact O-N 3.48Å; M475-S479 WeakPolarHBondContact O-CB 3.28Å; M475-S479 PolarHBondContact O-N 3.15Å; M475-S479 PolarHBondContact O-OG 3.07Å; M475-L1293 HydrophobicContact CB-CD2 4.29Å; M475-L1293 VanDerWaalsContact CE-O 3.24Å; M475-L1293 WeakPolarHBondContact CE-O 3.45Å; M475-K1296 HydrophobicContact CE-CB 4.41Å; M475-V1297 HydrophobicContact CE-CG2 3.19Å
476S90.5Very high89.4Confident0 Ų010.3 Ų10.30%05%0.054CC..Hα-helixtrans-64.1-42.1179-60.60000112.3T472 L473 S479 K480 L1150 R1286T472-S476 WeakPolarHBondContact O-CB 3.27Å; T472-S476 PolarHBondContact O-N 3.44Å; T472-S476 PolarHBondContact O-OG 2.74Å; L473-S476 PolarHBondContact O-N 3.49Å; S476-S479 WeakPolarHBondContact O-CB 3.22Å; S476-S479 PolarHBondContact O-N 2.66Å; S476-K480 PolarHBondContact O-N 3.3Å; S476-L1150 WeakPolarHBondContact CB-O 3.34Å; S476-L1150 PolarHBondContact OG-O 3.42Å; S476-L1150 VanDerWaalsContact OG-O 3.06Å; S476-R1286 PolarHBondContact OG-NE 3.25Å; S476-R1286 PolarHBondContact OG-NH2 2.83Å
477M91.1Very high88.8Confident3 Ų311.1 Ų11.12%0.0156%0.057CC..Hα-helixtrans-64.6-44.2176.1-73.4-174-177.800111.4M385 Q387 V398 A400 L473 S479 K480 F481M385-M477 HydrophobicContact CB-CG 4.27Å; M385-M477 HydrophobicContact CB-SD 4.1Å; M385-M477 HydrophobicContact CE-CB 3.94Å; M385-M477 WeakPolarHBondContact CE-O 3.47Å; M385-M477 HydrophobicContact SD-CB 4.15Å; M385-M477 VanDerWaalsContact SD-O 3.33Å; Q387-M477 HydrophobicContact CB-CE 3.59Å; V398-M477 HydrophobicContact CB-CE 4.35Å; V398-M477 HydrophobicContact CG1-CE 4.41Å; V398-M477 HydrophobicContact CG1-SD 4.11Å; V398-M477 WeakPolarHBondContact O-CE 3.45Å; A400-M477 HydrophobicContact CB-CB 4.24Å; A400-M477 HydrophobicContact CB-SD 3.67Å; L473-M477 WeakPolarHBondContact O-CB 3.37Å; L473-M477 VanDerWaalsContact O-CG 3.28Å; L473-M477 WeakPolarHBondContact O-CG 3.32Å; L473-M477 PolarHBondContact O-N 3.23Å; M477-S479 VanDerWaalsContact C-N 3.31Å; M477-S479 PolarHBondContact O-N 3.21Å; M477-K480 WeakPolarHBondContact O-CB 3.47Å; M477-K480 PolarHBondContact O-N 2.8Å; M477-F481 PolarHBondContact O-N 2.8Å
478V91Very high88.2Confident0 Ų014.1 Ų14.10%07%0.07CC..Hα-helixtrans-64.4-38.6176.2173.10000111.4L416 F418 M448 L449 L452 C474 M475 K480 F481 C482L416-V478 HydrophobicContact CD1-CG1 4.33Å; L416-V478 HydrophobicContact CD1-CG2 4.24Å; F418-V478 HydrophobicContact CE1-CG2 4.08Å; F418-V478 HydrophobicContact CZ-CG2 3.65Å; M448-V478 HydrophobicContact CG-CG1 4.2Å; M448-V478 HydrophobicContact SD-CG1 3.44Å; M448-V478 WeakPolarHBondContact SD-CG1 3.31Å; L449-V478 HydrophobicContact CD2-CB 4.35Å; L449-V478 HydrophobicContact CD2-CG1 4.19Å; L452-V478 HydrophobicContact CD1-CB 3.92Å; L452-V478 HydrophobicContact CD1-CG1 3.87Å; L452-V478 HydrophobicContact CD1-CG2 3.63Å; C474-V478 WeakPolarHBondContact O-CG2 3.46Å; C474-V478 PolarHBondContact O-N 2.85Å; M475-V478 PolarHBondContact O-N 3.48Å; V478-K480 PolarHBondContact O-N 2.96Å; V478-F481 WeakPolarHBondContact O-CA 3.34Å; V478-F481 WeakPolarHBondContact O-CB 3.12Å; V478-F481 PolarHBondContact O-N 2.82Å; V478-C482 PolarHBondContact O-N 2.71Å; V478-C482 PolarHBondContact O-SG 2.88Å
479S88.6Confident87.6Confident7 Ų715.9 Ų15.95%0.0498%0.077CC..Hα-helixtrans-58.9-45.8173.1-580000111.5M475 S476 M477 F481 C482 V483M475-S479 WeakPolarHBondContact O-CB 3.28Å; M475-S479 PolarHBondContact O-N 3.15Å; M475-S479 PolarHBondContact O-OG 3.07Å; S476-S479 WeakPolarHBondContact O-CB 3.22Å; S476-S479 PolarHBondContact O-N 2.66Å; M477-S479 VanDerWaalsContact C-N 3.31Å; M477-S479 PolarHBondContact O-N 3.21Å; S479-F481 VanDerWaalsContact C-N 3.27Å; S479-F481 PolarHBondContact O-N 3.48Å; S479-C482 PolarHBondContact O-N 3.22Å; S479-C482 VanDerWaalsContact O-N 3.13Å; S479-V483 VanDerWaalsContact O-CG2 3.27Å; S479-V483 WeakPolarHBondContact O-CG2 3.49Å; S479-V483 PolarHBondContact O-N 2.64Å
480K86.2Confident86.5Confident43 Ų4322.3 Ų22.319%0.18711%0.112CC..Hα-helixtrans-61.2-32.2173.2-75.7-172.6172.9-178.90113.7K383 M385 S476 M477 V478 W484 D1148 L1150 T1151K383-K480 PolarHBondContact NZ-O 3.07Å; M385-K480 HydrophobicContact SD-CB 3.85Å; S476-K480 PolarHBondContact O-N 3.3Å; M477-K480 WeakPolarHBondContact O-CB 3.47Å; M477-K480 PolarHBondContact O-N 2.8Å; V478-K480 PolarHBondContact O-N 2.96Å; K480-W484 WeakPolarHBondContact O-CB 3.39Å; K480-W484 PolarHBondContact O-N 2.83Å; K480-D1148 WeakPolarHBondContact CE-OD1 3.29Å; K480-D1148 IonicContact NZ-OD1 3.57Å; K480-D1148 PolarHBondContact NZ-OD1 2.79Å; K480-D1148 IonicContact NZ-OD2 3.47Å; K480-D1148 PolarHBondContact NZ-OD2 2.72Å; K480-L1150 HydrophobicContact CD-CD1 4.32Å; K480-L1150 HydrophobicContact CG-CD1 3.55Å; K480-T1151 VanDerWaalsContact NZ-CG2 3.32Å
481F88.3Confident84.8Confident0 Ų024 Ų240%012%0.121CC..Hα-helixtrans-69.9-44.5173.1172.6-116000110.9K383 M385 C402 V404 L416 W440 M477 V478 S479 V483 W484 I485K383-F481 HydrophobicContact CB-CD2 3.68Å; K383-F481 HydrophobicContact CB-CE2 4.08Å; K383-F481 HydrophobicContact CD-CD2 4.23Å; M385-F481 HydrophobicContact CE-CB 4.01Å; C402-F481 HydrophobicContact CB-CB 4.08Å; C402-F481 HydrophobicContact CB-CD1 3.61Å; C402-F481 HydrophobicContact CB-CD2 3.6Å; C402-F481 HydrophobicContact CB-CE1 3.8Å; C402-F481 HydrophobicContact CB-CE2 3.77Å; C402-F481 HydrophobicContact CB-CG 3.48Å; C402-F481 VanDerWaalsContact CB-CG 3.48Å; C402-F481 HydrophobicContact CB-CZ 3.86Å; V404-F481 HydrophobicContact CB-CE1 4.46Å; V404-F481 HydrophobicContact CB-CZ 4.12Å; V404-F481 HydrophobicContact CG1-CE1 4.34Å; V404-F481 HydrophobicContact CG1-CZ 3.76Å; L416-F481 HydrophobicContact CD2-CD1 4.33Å; L416-F481 HydrophobicContact CD2-CE1 4.3Å; W440-F481 HydrophobicContact CH2-CD1 4.44Å; W440-F481 HydrophobicContact CH2-CE1 4.07Å; M477-F481 PolarHBondContact O-N 2.8Å; V478-F481 WeakPolarHBondContact O-CA 3.34Å; V478-F481 WeakPolarHBondContact O-CB 3.12Å; V478-F481 PolarHBondContact O-N 2.82Å; S479-F481 VanDerWaalsContact C-N 3.27Å; S479-F481 PolarHBondContact O-N 3.48Å; F481-V483 PolarHBondContact O-N 2.77Å; F481-W484 HydrophobicContact CD2-CE3 4.05Å; F481-W484 HydrophobicContact CD2-CZ3 4.44Å; F481-W484 HydrophobicContact CE2-CE3 4.08Å; F481-W484 HydrophobicContact CE2-CZ3 4.06Å; F481-W484 WeakPolarHBondContact O-CB 3.37Å; F481-W484 PolarHBondContact O-N 3.1Å; F481-I485 HydrophobicContact CD2-CG1 4.16Å; F481-I485 HydrophobicContact CE1-CG1 4.13Å; F481-I485 HydrophobicContact CE2-CD1 3.78Å; F481-I485 HydrophobicContact CE2-CG1 3.77Å; F481-I485 HydrophobicContact CZ-CD1 3.89Å; F481-I485 HydrophobicContact CZ-CG1 3.77Å; F481-I485 WeakPolarHBondContact O-CG1 3.44Å; F481-I485 PolarHBondContact O-N 2.77Å
482C87.5Confident82.6Confident8 Ų829.1 Ų29.15%0.05416%0.157CC..Hα-helixtrans-63.7-40.7-177.9-66.60000113.3W440 V445 V478 S479 W484 I485 A486W440-C482 HydrophobicContact CZ2-CB 3.98Å; V445-C482 HydrophobicContact CG1-CB 4.05Å; V445-C482 HydrophobicContact CG2-CB 3.9Å; V478-C482 PolarHBondContact O-N 2.71Å; V478-C482 PolarHBondContact O-SG 2.88Å; S479-C482 PolarHBondContact O-N 3.22Å; S479-C482 VanDerWaalsContact O-N 3.13Å; C482-W484 VanDerWaalsContact C-N 3.33Å; C482-W484 PolarHBondContact O-N 2.95Å; C482-I485 PolarHBondContact O-N 3.01Å; C482-A486 PolarHBondContact O-N 3.1Å
483V80.6Confident80.3Confident17 Ų1731 Ų3110%0.10317%0.168CC..Hα-helixtrans-60-45.7174.1174.70000110.9S479 F481 I485 A486 Q487 W971S479-V483 VanDerWaalsContact O-CG2 3.27Å; S479-V483 WeakPolarHBondContact O-CG2 3.49Å; S479-V483 PolarHBondContact O-N 2.64Å; F481-V483 PolarHBondContact O-N 2.77Å; V483-I485 VanDerWaalsContact C-N 3.33Å; V483-I485 PolarHBondContact O-N 2.89Å; V483-A486 PolarHBondContact O-N 3.13Å; V483-Q487 WeakPolarHBondContact O-CG 3.47Å; V483-Q487 PolarHBondContact O-N 2.91Å; V483-W971 HydrophobicContact CB-CE3 4.31Å; V483-W971 HydrophobicContact CG1-CB 4.23Å; V483-W971 HydrophobicContact CG1-CE3 4.31Å; V483-W971 HydrophobicContact CG2-CD2 3.76Å; V483-W971 HydrophobicContact CG2-CE3 3.11Å; V483-W971 HydrophobicContact CG2-CH2 4.05Å; V483-W971 HydrophobicContact CG2-CZ3 3.28Å
484W83.8Confident77.5Confident16 Ų1633.4 Ų33.46%0.06119%0.185CC..Hα-helixtrans-64.3-37179.9178.676.5000112.7H381 K383 K480 F481 C482 K488 H498H381-W484 HydrophobicContact CB-CH2 4.22Å; H381-W484 HydrophobicContact CB-CZ3 3.85Å; K383-W484 HydrophobicContact CB-CE3 4.13Å; K383-W484 HydrophobicContact CB-CZ3 4.12Å; K383-W484 HydrophobicContact CD-CB 4.06Å; K383-W484 HydrophobicContact CD-CD2 3.92Å; K383-W484 HydrophobicContact CD-CE3 4.05Å; K383-W484 HydrophobicContact CD-CG 3.91Å; K383-W484 VanDerWaalsContact NZ-CB 3.35Å; K480-W484 WeakPolarHBondContact O-CB 3.39Å; K480-W484 PolarHBondContact O-N 2.83Å; F481-W484 HydrophobicContact CD2-CE3 4.05Å; F481-W484 HydrophobicContact CD2-CZ3 4.44Å; F481-W484 HydrophobicContact CE2-CE3 4.08Å; F481-W484 HydrophobicContact CE2-CZ3 4.06Å; F481-W484 WeakPolarHBondContact O-CB 3.37Å; F481-W484 PolarHBondContact O-N 3.1Å; C482-W484 VanDerWaalsContact C-N 3.33Å; C482-W484 PolarHBondContact O-N 2.95Å; W484-K488 HydrophobicContact CZ2-CG 4.38Å; W484-K488 WeakPolarHBondContact O-CG 3.35Å; W484-K488 PolarHBondContact O-N 3.29Å; W484-K488 VanDerWaalsContact O-N 3.12Å; W484-H498 AromaticContact NE1-NE2 3.8Å
485I85.4Confident75Confident0 Ų036.1 Ų36.10%020%0.201CC..Hα-helixtrans-65.9-44.4172.4-67-63.4000111.2H381 V404 L406 W440 F481 C482 V483 Q487 K488 L489H381-I485 HydrophobicContact CB-CD1 3.26Å; V404-I485 HydrophobicContact CG1-CD1 3.61Å; V404-I485 HydrophobicContact CG1-CG1 4.12Å; L406-I485 HydrophobicContact CD1-CG2 3.7Å; W440-I485 HydrophobicContact CD2-CG2 3.9Å; W440-I485 VanDerWaalsContact CE2-CG2 3.48Å; W440-I485 HydrophobicContact CG-CG2 4.27Å; W440-I485 HydrophobicContact CH2-CG1 4.35Å; W440-I485 HydrophobicContact CH2-CG2 4.43Å; W440-I485 HydrophobicContact CZ2-CB 3.85Å; W440-I485 HydrophobicContact CZ2-CG1 4.15Å; W440-I485 HydrophobicContact CZ2-CG2 3.81Å; F481-I485 HydrophobicContact CD2-CG1 4.16Å; F481-I485 HydrophobicContact CE1-CG1 4.13Å; F481-I485 HydrophobicContact CE2-CD1 3.78Å; F481-I485 HydrophobicContact CE2-CG1 3.77Å; F481-I485 HydrophobicContact CZ-CD1 3.89Å; F481-I485 HydrophobicContact CZ-CG1 3.77Å; F481-I485 WeakPolarHBondContact O-CG1 3.44Å; F481-I485 PolarHBondContact O-N 2.77Å; C482-I485 PolarHBondContact O-N 3.01Å; V483-I485 VanDerWaalsContact C-N 3.33Å; V483-I485 PolarHBondContact O-N 2.89Å; I485-Q487 VanDerWaalsContact C-N 3.31Å; I485-Q487 PolarHBondContact O-N 3.05Å; I485-K488 WeakPolarHBondContact O-CB 3.41Å; I485-K488 PolarHBondContact O-N 3.43Å; I485-L489 HydrophobicContact CG2-CD1 3.82Å; I485-L489 HydrophobicContact CG2-CG 4.32Å; I485-L489 WeakPolarHBondContact O-CG 3.4Å; I485-L489 PolarHBondContact O-N 3.22Å
486A79.9Confident72Confident12 Ų1244.2 Ų44.210%0.09924%0.239CC..Hα-helixtrans-62.7-39.9-179.300000112C482 V483 K488 L489 D490 L491 T493C482-A486 PolarHBondContact O-N 3.1Å; V483-A486 PolarHBondContact O-N 3.13Å; A486-K488 VanDerWaalsContact C-N 3.34Å; A486-K488 PolarHBondContact O-N 3.14Å; A486-L489 PolarHBondContact O-N 3.41Å; A486-D490 PolarHBondContact O-N 3.24Å; A486-L491 PolarHBondContact O-N 3.26Å; A486-T493 HydrophobicContact CB-CG2 3.37Å
487Q76.9Confident69.2Low36 Ų3645.6 Ų45.617%0.16825%0.253CS..Hα-helixtrans-60.1-39.9170-72.1174.3-25.300112.5V483 I485 L489 D490V483-Q487 WeakPolarHBondContact O-CG 3.47Å; V483-Q487 PolarHBondContact O-N 2.91Å; I485-Q487 VanDerWaalsContact C-N 3.31Å; I485-Q487 PolarHBondContact O-N 3.05Å; Q487-L489 VanDerWaalsContact C-N 3.29Å; Q487-L489 PolarHBondContact O-N 2.8Å; Q487-D490 PolarHBondContact O-N 3.11Å
488K79.6Confident66.2Low99 Ų9951.3 Ų51.343%0.4328%0.279SS..Hα-helixtrans-68.6-25177.8-79.2-71.5-178.4-174.80114W484 I485 A486W484-K488 HydrophobicContact CZ2-CG 4.38Å; W484-K488 WeakPolarHBondContact O-CG 3.35Å; W484-K488 PolarHBondContact O-N 3.29Å; W484-K488 VanDerWaalsContact O-N 3.12Å; I485-K488 WeakPolarHBondContact O-CB 3.41Å; I485-K488 PolarHBondContact O-N 3.43Å; A486-K488 VanDerWaalsContact C-N 3.34Å; A486-K488 PolarHBondContact O-N 3.14Å
489L77.3Confident63.3Low49 Ų4956.6 Ų56.626%0.25731%0.307SS..THydrogen-bonded Turntrans-91.2-0.5-179.1-67.4172.7000113.3L406 W440 I485 A486 Q487 L491L406-L489 HydrophobicContact CD1-CD1 3.84Å; L406-L489 HydrophobicContact CD1-CD2 4.1Å; L406-L489 HydrophobicContact CD1-CG 4.32Å; W440-L489 HydrophobicContact CB-CD1 4.41Å; W440-L489 HydrophobicContact CG-CD1 4.26Å; I485-L489 HydrophobicContact CG2-CD1 3.82Å; I485-L489 HydrophobicContact CG2-CG 4.32Å; I485-L489 WeakPolarHBondContact O-CG 3.4Å; I485-L489 PolarHBondContact O-N 3.22Å; A486-L489 PolarHBondContact O-N 3.41Å; Q487-L489 VanDerWaalsContact C-N 3.29Å; Q487-L489 PolarHBondContact O-N 2.8Å; L489-L491 HydrophobicContact CB-CD1 3.92Å; L489-L491 HydrophobicContact CB-CG 3.84Å; L489-L491 HydrophobicContact CD1-CD1 3.66Å; L489-L491 HydrophobicContact CD1-CG 4.45Å; L489-L491 HydrophobicContact CG-CD1 4.48Å; L489-L491 PolarHBondContact O-N 3.46Å
490D71.3Confident60.7Low136 Ų13660.2 Ų60.273%0.72733%0.33SS*.THydrogen-bonded Turntrans48.427.8-168.4-92.2-17.7000112.2A486 Q487A486-D490 PolarHBondContact O-N 3.24Å; Q487-D490 PolarHBondContact O-N 3.11Å
491L60.1Low58.3Low53 Ų5363.3 Ų63.328%0.27734%0.344SS..  trans-63.3152.3166.6-73.7168000106.8A486 L489 T493A486-L491 PolarHBondContact O-N 3.26Å; L489-L491 HydrophobicContact CB-CD1 3.92Å; L489-L491 HydrophobicContact CB-CG 3.84Å; L489-L491 HydrophobicContact CD1-CD1 3.66Å; L489-L491 HydrophobicContact CD1-CG 4.45Å; L489-L491 HydrophobicContact CG-CD1 4.48Å; L489-L491 PolarHBondContact O-N 3.46Å; L491-T493 PolarHBondContact O-N 2.82Å; L491-T493 PolarHBondContact O-OG1 2.68Å; L491-T493 VanDerWaalsContact O-OG1 3.07Å
492P47Very low55.5Low131 Ų13171.4 Ų71.485%0.85138%0.381SS*.SBendtrans-68.763.4172.228.8-32.8000110.2
493T44.1Very low53Low38 Ų3876.7 Ų76.723%0.23340%0.401CS..  -63.4114.7129.935.30000105.4A486 L491 V495A486-T493 HydrophobicContact CB-CG2 3.37Å; L491-T493 PolarHBondContact O-N 2.82Å; L491-T493 PolarHBondContact O-OG1 2.68Å; L491-T493 VanDerWaalsContact O-OG1 3.07Å; T493-V495 PolarHBondContact O-N 3.36Å
494S34.4Very low50.6Low52 Ų5279.7 Ų79.736%0.36442%0.423SS..SBendtrans-46.9119.1156.744.70000108.1R969S494-R969 CarbonylContact C-O 3.54Å; S494-R969 WeakPolarHBondContact CB-O 3.48Å; S494-R969 WeakPolarHBondContact OG-CA 3.47Å; S494-R969 PolarHBondContact OG-O 3.38Å
495V41.4Very low48.2Very low57 Ų5779.1 Ų79.135%0.34542%0.421SS..  trans85.8124.1156-161.90000120.8T493 R969 V970T493-V495 PolarHBondContact O-N 3.36Å; V495-R969 HydrophobicContact CG2-CB 3.74Å; V495-V970 HydrophobicContact CB-CB 3.96Å; V495-V970 HydrophobicContact CB-CG1 4.05Å; V495-V970 HydrophobicContact CB-CG2 3.6Å; V495-V970 HydrophobicContact CG1-CB 4Å; V495-V970 HydrophobicContact CG1-CG1 3.86Å; V495-V970 HydrophobicContact CG1-CG2 3.3Å; V495-V970 HydrophobicContact CG2-CB 4.44Å; V495-V970 HydrophobicContact CG2-CG2 3.8Å
496Q26.3Very low45.6Very low172 Ų17282.6 Ų82.680%0.80444%0.442SS*.  trans-65.8125155.2-70.2174.9-17.800111.1
497G32.6Very low43.5Very low28 Ų2883.6 Ų83.629%0.28945%0.448SS..  trans-164.5117.2163.200000106.1
498H29Very low41.2Very low123 Ų12386.8 Ų86.857%0.56947%0.466SS*.  trans-127103.9173-131.1-51000104.2W484W484-H498 AromaticContact NE1-NE2 3.8Å
499I30Very low39Very low112 Ų11283.2 Ų83.257%0.57445%0.453SS*.  trans-111105159.2-59.3177.3000104.8F501I499-F501 PolarHBondContact O-N 3.46Å
500P32.7Very low36.8Very low82 Ų8285.7 Ų85.753%0.53247%0.47SS..  trans-55.9134.9159.7-7.222.4000106.1E502P500-E502 PolarHBondContact O-N 3.13Å
501F35.6Very low35Very low109 Ų10980.4 Ų80.448%0.47845%0.445SS..SBendtrans-6276.8167.3-90.3-86.9000109.1I499 Y503 K976 V1155I499-F501 PolarHBondContact O-N 3.46Å; F501-Y503 HydrophobicContact CD1-CD2 4.25Å; F501-K976 VanDerWaalsContact CE2-NZ 3.26Å; F501-V1155 HydrophobicContact CE1-CG2 3.78Å; F501-V1155 HydrophobicContact CZ-CG2 4.49Å
502E31.1Very low33.6Very low170 Ų17084 Ų8479%0.79446%0.464SS*.  trans-116.877.3161.4-84.7-175.8163.900105.3P500P500-E502 PolarHBondContact O-N 3.13Å
503Y34Very low32.9Very low119 Ų11980.3 Ų80.347%0.46744%0.444SS..  trans-92.9104.4162.5-78.5-76000106.8F501 Y505F501-Y503 HydrophobicContact CD1-CD2 4.25Å; Y503-Y505 PolarHBondContact O-N 2.66Å
504S30.7Very low32.3Very low80 Ų8087.5 Ų87.556%0.55947%0.473SS*.  trans-60.4129.9166.250.40000108.6T506S504-T506 PolarHBondContact O-N 3.08Å
505Y32.3Very low32.2Very low4 Ų492.4 Ų92.42%0.01649%0.49CS..  trans-72.7106.4170.4177.2-88.3000107.4L123 Y127 Y503 P507 I1218 P1219 R1220L123-Y505 HydrophobicContact CB-CE1 4.33Å; L123-Y505 HydrophobicContact CD1-CD1 4.48Å; L123-Y505 HydrophobicContact CD1-CE1 4.1Å; Y127-Y505 HydrophobicContact CD2-CD1 4.41Å; Y127-Y505 AromaticContact CE2-CD1 3.34Å; Y127-Y505 HydrophobicContact CE2-CD1 3.34Å; Y127-Y505 AromaticContact CE2-CE1 3.64Å; Y127-Y505 HydrophobicContact CE2-CE1 3.64Å; Y127-Y505 HydrophobicContact CE2-CG 4.5Å; Y127-Y505 AromaticContact CZ-CD1 3.84Å; Y127-Y505 WeakPolarHBondContact OH-CD1 3.45Å; Y503-Y505 PolarHBondContact O-N 2.66Å; Y505-P507 HydrophobicContact CD1-CB 4.35Å; Y505-P507 HydrophobicContact CD1-CG 4.06Å; Y505-P507 HydrophobicContact CE1-CB 3.57Å; Y505-P507 HydrophobicContact CE1-CG 3.58Å; Y505-P507 WeakPolarHBondContact O-CD 3.43Å; Y505-I1218 HydrophobicContact CE2-CD1 3.76Å; Y505-I1218 HydrophobicContact CE2-CG1 4.05Å; Y505-P1219 WeakPolarHBondContact CE2-O 3.37Å; Y505-R1220 VanDerWaalsContact CD2-O 3.31Å; Y505-R1220 WeakPolarHBondContact CD2-O 3.31Å; Y505-R1220 VanDerWaalsContact CE2-O 3.3Å; Y505-R1220 WeakPolarHBondContact CE2-O 3.4Å
506T31.5Very low31.8Very low73 Ų7393 Ų9345%0.44849%0.493SS..  trans-105.499.7168.938.10000108.4S504 D508S504-T506 PolarHBondContact O-N 3.08Å; T506-D508 PolarHBondContact O-N 3.18Å
507P35.4Very low32.2Very low33 Ų3391.8 Ų91.821%0.21450%0.498CS..  trans-72.394.3175.328-28.7000108.4N124 Y127 Y505 C509N124-P507 VanDerWaalsContact OD1-CB 3.28Å; N124-P507 WeakPolarHBondContact OD1-CB 3.3Å; N124-P507 WeakPolarHBondContact OD1-CG 3.32Å; Y127-P507 HydrophobicContact CD2-CG 4.19Å; Y127-P507 HydrophobicContact CE2-CG 4.41Å; Y505-P507 HydrophobicContact CD1-CB 4.35Å; Y505-P507 HydrophobicContact CD1-CG 4.06Å; Y505-P507 HydrophobicContact CE1-CB 3.57Å; Y505-P507 HydrophobicContact CE1-CG 3.58Å; Y505-P507 WeakPolarHBondContact O-CD 3.43Å; P507-C509 PolarHBondContact O-N 2.65Å
508D28.5Very low32.8Very low103 Ų10392.5 Ų92.555%0.55150%0.495SS*.  trans-80.774.7170.3-145.13000108.8T506 T510 N1223T506-D508 PolarHBondContact O-N 3.18Å; D508-T510 PolarHBondContact O-N 3.05Å; D508-N1223 PolarHBondContact O-OD1 3.15Å
509C34.5Very low33.6Very low23 Ų2395.2 Ų95.216%0.15551%0.508CS..  trans-86.487.2-177.8-75.50000110.7N178 P507 A511N178-C509 PolarHBondContact OD1-O 3.1Å; P507-C509 PolarHBondContact O-N 2.65Å; C509-A511 PolarHBondContact O-N 3.18Å; C509-A511 VanDerWaalsContact O-N 3.14Å
510T30.1Very low35Very low102 Ų10292.7 Ų92.763%0.62650%0.498SS*.  trans-84.368.7159.845.80000110D508 L512D508-T510 PolarHBondContact O-N 3.05Å; T510-L512 PolarHBondContact O-N 3.41Å
511A33.7Very low36.8Very low24 Ų2490.5 Ų90.520%0.19848%0.484CS..  trans-75.283.416500000108.9I177 C509 A513I177-A511 HydrophobicContact CB-CB 4.34Å; I177-A511 HydrophobicContact CG2-CB 3.42Å; I177-A511 VanDerWaalsContact CG2-CB 3.42Å; C509-A511 PolarHBondContact O-N 3.18Å; C509-A511 VanDerWaalsContact O-N 3.14Å; A511-A513 PolarHBondContact O-N 3.1Å
512L29.9Very low39Very low128 Ų12888.2 Ų88.267%0.6748%0.475SS*.  trans-77.697.2165-101.9128.2000108.8T510 K514T510-L512 PolarHBondContact O-N 3.41Å; L512-K514 HydrophobicContact CD2-CB 4.22Å; L512-K514 HydrophobicContact CD2-CD 4.26Å; L512-K514 HydrophobicContact CD2-CG 4.39Å
513A33.1Very low41.6Very low54 Ų5482.4 Ų82.445%0.44645%0.451SS..  trans-112.871.8151.800000108A511 E515A511-A513 PolarHBondContact O-N 3.1Å; A513-E515 VanDerWaalsContact C-N 3.31Å
514K31.8Very low44.3Very low189 Ų18977.4 Ų77.482%0.82243%0.432SS*.  trans-84.60.5171.1-98.2-174.7175.51790113.4L512L512-K514 HydrophobicContact CD2-CB 4.22Å; L512-K514 HydrophobicContact CD2-CD 4.26Å; L512-K514 HydrophobicContact CD2-CG 4.39Å
515E31.6Very low47.1Very low156 Ų15676.7 Ų76.773%0.72943%0.425SS*.  trans-138.344.8-167.3-66.8-171.716300115.2A513A513-E515 VanDerWaalsContact C-N 3.31Å
516T33.2Very low50Low68 Ų6877 Ų7742%0.41743%0.428SS..  trans-118119163.643.90000111.4L518T516-L518 PolarHBondContact O-N 3.28Å
517T34.9Very low52.9Low148 Ų14873.6 Ų73.691%0.90841%0.407SS*.  trans-74.824.7-175.943.70000114.5
518L45.9Very low55.5Low43 Ų4378.8 Ų78.823%0.22543%0.426CS..SBendtrans-113106169.3-97.7145.3000107.1T516 T520 K1034T516-L518 PolarHBondContact O-N 3.28Å; L518-T520 PolarHBondContact O-N 2.94Å; L518-K1034 HydrophobicContact CD2-CD 3.78Å; L518-K1034 VanDerWaalsContact CD2-NZ 3.3Å
519E45.5Very low58.6Low179 Ų17977 Ų7784%0.83642%0.416SS*.  trans-53.9123.1-176-67177.3151.400111.9
520T59.6Low61.5Low59 Ų5976.1 Ų76.136%0.36241%0.409SS..  trans73.1118.2163.464.70000119.1C174 L518 H522C174-T520 HydrophobicContact CB-CG2 4.5Å; L518-T520 PolarHBondContact O-N 2.94Å; T520-H522 VanDerWaalsContact C-N 3.3Å; T520-H522 PolarHBondContact O-CD2 2.85Å; T520-H522 VanDerWaalsContact O-CD2 3.27Å; T520-H522 PolarHBondContact O-N 3.29Å; T520-H522 PolarHBondContact OG1-NE2 3.48Å; T520-H522 VanDerWaalsContact OG1-NE2 3.1Å
521S69.4Low64.5Low36 Ų3671.2 Ų71.225%0.25238%0.379SS..  trans-64.986.5163.9-690000109.9
522H82.7Confident67.3Low62 Ų6270.3 Ų70.329%0.28737%0.371SS..PPolyproline II helixtrans-65.9136.9176-71.6-83.3000110.9T520 T1026 M1040 N1170T520-H522 VanDerWaalsContact C-N 3.3Å; T520-H522 PolarHBondContact O-CD2 2.85Å; T520-H522 VanDerWaalsContact O-CD2 3.27Å; T520-H522 PolarHBondContact O-N 3.29Å; T520-H522 PolarHBondContact OG1-NE2 3.48Å; T520-H522 VanDerWaalsContact OG1-NE2 3.1Å; H522-T1026 HydrophobicContact CB-CG2 4.45Å; H522-M1040 HydrophobicContact CB-SD 4.5Å; H522-N1170 PolarHBondContact O-ND2 2.77Å
523V86.5Confident70.3Confident48 Ų4865.1 Ų65.129%0.29135%0.349SS..PPolyproline II helixtrans-64.9149.2169.8-175.10000109.5S67 T525 S527S67-V523 WeakPolarHBondContact O-CG1 3.35Å; V523-T525 PolarHBondContact O-N 3.49Å; V523-S527 VanDerWaalsContact CG1-CB 3.4Å; V523-S527 WeakPolarHBondContact CG1-OG 3.36Å
524H88.8Confident73.1Confident13 Ų1367.9 Ų67.96%0.0635%0.353CS..PPolyproline II helixtrans-48.4128.6174.6-170.7-92.2000111.3S526 S527 Q530 E1019 G1023H524-S526 PolarHBondContact ND1-N 3.32Å; H524-S526 PolarHBondContact O-N 3.32Å; H524-S526 VanDerWaalsContact O-N 3.11Å; H524-S527 WeakPolarHBondContact O-CA 3.46Å; H524-S527 WeakPolarHBondContact O-CB 3.46Å; H524-S527 PolarHBondContact O-N 3.5Å; H524-Q530 PolarHBondContact ND1-OE1 2.79Å; H524-E1019 IonicContact NE2-OE1 2.61Å; H524-E1019 PolarHBondContact NE2-OE1 3.02Å; H524-E1019 IonicContact NE2-OE2 2.77Å; H524-G1023 VanDerWaalsContact CD2-CA 3.43Å; H524-G1023 WeakPolarHBondContact CD2-CA 3.27Å
525T90.6Very high76.1Confident66 Ų6659.1 Ų59.141%0.40532%0.315SS..THydrogen-bonded Turntrans-58.2-29.1-173.646.50000114.2V523 T1026 M1040V523-T525 PolarHBondContact O-N 3.49Å; T525-T1026 HydrophobicContact CG2-CG2 4.11Å; T525-T1026 PolarHBondContact N-OG1 3.02Å; T525-T1026 PolarHBondContact OG1-OG1 3.24Å; T525-T1026 VanDerWaalsContact OG1-OG1 3.13Å; T525-M1040 HydrophobicContact CG2-CE 3.52Å
526S92.7Very high79.2Confident11 Ų1156.8 Ų56.88%0.07730%0.303CS..THydrogen-bonded Turntrans-90.7-0.3174.4-63.50000113.9H524 K528 L529 Q530 R758H524-S526 PolarHBondContact ND1-N 3.32Å; H524-S526 PolarHBondContact O-N 3.32Å; H524-S526 VanDerWaalsContact O-N 3.11Å; S526-K528 PolarHBondContact O-N 2.76Å; S526-L529 WeakPolarHBondContact O-CA 3.27Å; S526-L529 WeakPolarHBondContact O-CB 3.5Å; S526-L529 PolarHBondContact O-N 3.07Å; S526-Q530 VanDerWaalsContact O-CG 3.31Å; S526-Q530 WeakPolarHBondContact O-CG 3.32Å; S526-Q530 PolarHBondContact O-N 2.88Å; S526-R758 PolarHBondContact OG-NH2 3.28Å
527S91.9Very high82.2Confident1 Ų154.3 Ų54.31%0.00729%0.286CS..Hα-helixtrans-51.1-51.6-174.4173.60000112.7S67 T72 V523 H524 L529 Q530 V531S67-S527 WeakPolarHBondContact CA-OG 3.26Å; S67-S527 WeakPolarHBondContact CB-OG 3.37Å; S67-S527 PolarHBondContact OG-OG 3.5Å; T72-S527 WeakPolarHBondContact CG2-OG 3.16Å; V523-S527 VanDerWaalsContact CG1-CB 3.4Å; V523-S527 WeakPolarHBondContact CG1-OG 3.36Å; H524-S527 WeakPolarHBondContact O-CA 3.46Å; H524-S527 WeakPolarHBondContact O-CB 3.46Å; H524-S527 PolarHBondContact O-N 3.5Å; S527-L529 PolarHBondContact O-N 3.37Å; S527-Q530 WeakPolarHBondContact O-CB 3.2Å; S527-Q530 PolarHBondContact O-N 2.76Å; S527-V531 WeakPolarHBondContact O-CG2 3Å; S527-V531 PolarHBondContact O-N 3.33Å
528K91.2Very high85.2Confident142 Ų14247.6 Ų47.662%0.61725%0.245SC*.Hα-helixtrans-55.6-37.8179.7-65.6-175.3179.9176.80112.4M59 S526 V531 S532M59-K528 HydrophobicContact CE-CD 4.5Å; M59-K528 HydrophobicContact CE-CG 4.15Å; M59-K528 HydrophobicContact SD-CB 4.18Å; M59-K528 HydrophobicContact SD-CG 3.99Å; S526-K528 PolarHBondContact O-N 2.76Å; K528-V531 WeakPolarHBondContact O-CG2 3.5Å; K528-S532 WeakPolarHBondContact O-CB 3.4Å; K528-S532 PolarHBondContact O-N 2.65Å; K528-S532 PolarHBondContact O-OG 3.49Å
529L93.7Very high87.5Confident65 Ų6548 Ų4834%0.3425%0.247SC..Hα-helixtrans-76.1-34.7177.8-58.6176.1000111.9S526 S527 S532 G533 Q534 A535S526-L529 WeakPolarHBondContact O-CA 3.27Å; S526-L529 WeakPolarHBondContact O-CB 3.5Å; S526-L529 PolarHBondContact O-N 3.07Å; S527-L529 PolarHBondContact O-N 3.37Å; L529-S532 PolarHBondContact O-OG 2.59Å; L529-G533 CarbonylContact O-C 3.31Å; L529-G533 PolarHBondContact O-N 2.98Å; L529-Q534 HydrophobicContact CB-CB 4.46Å; L529-Q534 HydrophobicContact CD2-CB 3.95Å; L529-Q534 PolarHBondContact O-N 2.94Å; L529-A535 HydrophobicContact CB-CB 3.82Å; L529-A535 PolarHBondContact O-N 2.98Å
530Q94.4Very high89.9Confident4 Ų442.1 Ų42.12%0.01922%0.221CC..Hα-helixtrans-69.2-44.7179.3-68.1165.5-34.100110.9T72 Q73 C74 H524 S526 S527 S532 G533 A535T72-Q530 PolarHBondContact OG1-OE1 3.11Å; Q73-Q530 PolarHBondContact O-NE2 3.15Å; C74-Q530 VanDerWaalsContact C-NE2 3.25Å; C74-Q530 PolarHBondContact O-NE2 2.9Å; H524-Q530 PolarHBondContact ND1-OE1 2.79Å; S526-Q530 VanDerWaalsContact O-CG 3.31Å; S526-Q530 WeakPolarHBondContact O-CG 3.32Å; S526-Q530 PolarHBondContact O-N 2.88Å; S527-Q530 WeakPolarHBondContact O-CB 3.2Å; S527-Q530 PolarHBondContact O-N 2.76Å; Q530-S532 VanDerWaalsContact C-N 3.28Å; Q530-S532 PolarHBondContact O-N 3.33Å; Q530-G533 PolarHBondContact O-N 3.14Å; Q530-A535 HydrophobicContact CG-CB 3.91Å
531V93.7Very high91.6Very high0 Ų041.8 Ų41.80%022%0.217CC..Hα-helixtrans-71.3-22.4179.3-58.60000113.2V49 M59 Q63 T72 T78 I82 S527 K528V49-V531 WeakPolarHBondContact CG2-O 3.4Å; M59-V531 HydrophobicContact SD-CG2 3.76Å; Q63-V531 HydrophobicContact CB-CB 3.96Å; Q63-V531 HydrophobicContact CB-CG2 3.86Å; Q63-V531 HydrophobicContact CG-CB 4.41Å; Q63-V531 WeakPolarHBondContact CG-O 3.32Å; Q63-V531 PolarHBondContact NE2-O 3.4Å; T72-V531 HydrophobicContact CG2-CG1 4.46Å; T78-V531 HydrophobicContact CG2-CB 4.37Å; T78-V531 HydrophobicContact CG2-CG1 3.82Å; I82-V531 HydrophobicContact CD1-CB 3.77Å; I82-V531 HydrophobicContact CD1-CG1 4.22Å; I82-V531 WeakPolarHBondContact CD1-O 3.36Å; S527-V531 WeakPolarHBondContact O-CG2 3Å; S527-V531 PolarHBondContact O-N 3.33Å; K528-V531 WeakPolarHBondContact O-CG2 3.5Å
532S92.6Very high92.7Very high4 Ų448.1 Ų48.13%0.02824%0.243CC..THydrogen-bonded Turntrans-93.4-6.2176.5670000114.5K528 L529 Q530 Q534K528-S532 WeakPolarHBondContact O-CB 3.4Å; K528-S532 PolarHBondContact O-N 2.65Å; K528-S532 PolarHBondContact O-OG 3.49Å; L529-S532 PolarHBondContact O-OG 2.59Å; Q530-S532 VanDerWaalsContact C-N 3.28Å; Q530-S532 PolarHBondContact O-N 3.33Å; S532-Q534 PolarHBondContact O-N 2.89Å; S532-Q534 WeakPolarHBondContact OG-CB 3.42Å; S532-Q534 VanDerWaalsContact OG-CG 3.27Å; S532-Q534 WeakPolarHBondContact OG-CG 3.27Å; S532-Q534 PolarHBondContact OG-N 3.21Å; S532-Q534 PolarHBondContact OG-OE1 3.18Å
533G92.2Very high93.2Very high19 Ų1947.4 Ų47.420%0.19624%0.241CC..THydrogen-bonded Turntrans74.45.4-171.300000114.7L529 Q530 A535L529-G533 CarbonylContact O-C 3.31Å; L529-G533 PolarHBondContact O-N 2.98Å; Q530-G533 PolarHBondContact O-N 3.14Å; G533-A535 VanDerWaalsContact C-N 3.35Å
534Q93.4Very high93.3Very high113 Ų11352 Ų5253%0.52826%0.262SS..  trans-84.1-8.4-179.5-64.6172.7-19.300113.5L529 S532 K536L529-Q534 HydrophobicContact CB-CB 4.46Å; L529-Q534 HydrophobicContact CD2-CB 3.95Å; L529-Q534 PolarHBondContact O-N 2.94Å; S532-Q534 PolarHBondContact O-N 2.89Å; S532-Q534 WeakPolarHBondContact OG-CB 3.42Å; S532-Q534 VanDerWaalsContact OG-CG 3.27Å; S532-Q534 WeakPolarHBondContact OG-CG 3.27Å; S532-Q534 PolarHBondContact OG-N 3.21Å; S532-Q534 PolarHBondContact OG-OE1 3.18Å; Q534-K536 PolarHBondContact O-N 2.84Å
535A94.2Very high93.2Very high4 Ų457.3 Ų57.33%0.03329%0.291CS..  trans-71.1107175.300000110.3L529 Q530 G533 Y537L529-A535 HydrophobicContact CB-CB 3.82Å; L529-A535 PolarHBondContact O-N 2.98Å; Q530-A535 HydrophobicContact CG-CB 3.91Å; G533-A535 VanDerWaalsContact C-N 3.35Å; A535-Y537 HydrophobicContact CB-CE2 4.37Å; A535-Y537 WeakPolarHBondContact O-CD2 3.27Å; A535-Y537 WeakPolarHBondContact O-CE2 3.4Å
536K95.7Very high93.4Very high107 Ų10755 Ų5547%0.46528%0.278SS..  trans-75.7121.9177.6-60.5-63.4-177.2179.20112.8Q534 D540 L541 R758Q534-K536 PolarHBondContact O-N 2.84Å; K536-D540 HydrophobicContact CB-CB 4.36Å; K536-D540 HydrophobicContact CD-CB 3.63Å; K536-L541 HydrophobicContact CB-CD2 4.23Å; K536-R758 PolarHBondContact O-NH1 3.1Å
537Y97.4Very high93.5Very high16 Ų1655 Ų556%0.06328%0.277CS..  trans-95-177.8166.1-59.9-83.6000110.5C74 G75 Y76 A535 D539 D540 R758C74-Y537 PolarHBondContact O-OH 2.71Å; G75-Y537 WeakPolarHBondContact CA-OH 3.38Å; G75-Y537 PolarHBondContact O-OH 2.78Å; Y76-Y537 AromaticContact CD2-CD1 3.72Å; Y76-Y537 HydrophobicContact CD2-CD1 3.72Å; Y76-Y537 AromaticContact CD2-CD2 3.55Å; Y76-Y537 HydrophobicContact CD2-CD2 3.55Å; Y76-Y537 AromaticContact CD2-CE1 3.85Å; Y76-Y537 HydrophobicContact CD2-CE1 3.85Å; Y76-Y537 AromaticContact CD2-CE2 3.7Å; Y76-Y537 HydrophobicContact CD2-CE2 3.7Å; Y76-Y537 AromaticContact CD2-CG 3.58Å; Y76-Y537 HydrophobicContact CD2-CG 3.58Å; Y76-Y537 AromaticContact CD2-CZ 3.85Å; Y76-Y537 HydrophobicContact CE2-CD1 4.23Å; Y76-Y537 AromaticContact CE2-CD2 3.79Å; Y76-Y537 HydrophobicContact CE2-CD2 3.79Å; Y76-Y537 HydrophobicContact CE2-CE2 4.37Å; Y76-Y537 AromaticContact CE2-CG 3.73Å; Y76-Y537 HydrophobicContact CE2-CG 3.73Å; Y76-Y537 HydrophobicContact CG-CE2 4.34Å; Y76-Y537 PolarHBondContact N-OH 3.45Å; A535-Y537 HydrophobicContact CB-CE2 4.37Å; A535-Y537 WeakPolarHBondContact O-CD2 3.27Å; A535-Y537 WeakPolarHBondContact O-CE2 3.4Å; Y537-D539 PolarHBondContact O-N 3.17Å; Y537-D540 VanDerWaalsContact CD2-OD2 3.3Å; Y537-D540 WeakPolarHBondContact CD2-OD2 3.24Å; Y537-D540 PolarHBondContact N-OD2 3.42Å; Y537-D540 PolarHBondContact O-N 3.31Å; Y537-R758 HydrophobicContact CD1-CG 3.92Å; Y537-R758 HydrophobicContact CE1-CG 4.02Å
538C96.5Very high93.7Very high7 Ų756.9 Ų56.95%0.04729%0.286CS..SBendtrans-58.7-46.3-173.2-172.50000112.2D540 E711 A714 I716 I728C538-D540 VanDerWaalsContact C-N 3.33Å; C538-D540 PolarHBondContact O-N 2.74Å; C538-E711 WeakPolarHBondContact CB-OE1 2.73Å; C538-E711 PolarHBondContact N-OE1 3.19Å; C538-E711 VanDerWaalsContact N-OE1 3.15Å; C538-A714 HydrophobicContact CB-CB 3.88Å; C538-I716 WeakPolarHBondContact O-CD1 3.35Å; C538-I728 PolarHBondContact SG-O 3.21Å
539D94.7Very high94Very high53 Ų5350.7 Ų50.728%0.28326%0.26SS..THydrogen-bonded Turntrans-76.4-18.8-176.7-16343.1000113.5Y537 L541 R798Y537-D539 PolarHBondContact O-N 3.17Å; D539-L541 PolarHBondContact O-N 2.63Å; D539-R798 PolarHBondContact O-NH1 2.93Å; D539-R798 WeakPolarHBondContact OD1-CD 3.4Å; D539-R798 IonicContact OD1-CZ 3.92Å; D539-R798 IonicContact OD1-NE 2.75Å; D539-R798 IonicContact OD1-NH1 3.47Å; D539-R798 PolarHBondContact OD1-NH1 2.96Å
540D95.9Very high94.2Very high54 Ų5448.3 Ų48.329%0.28925%0.248SC..THydrogen-bonded Turntrans-76.1-11.6179.3-58.1-38.3000113.6K536 Y537 C538K536-D540 HydrophobicContact CB-CB 4.36Å; K536-D540 HydrophobicContact CD-CB 3.63Å; Y537-D540 VanDerWaalsContact CD2-OD2 3.3Å; Y537-D540 WeakPolarHBondContact CD2-OD2 3.24Å; Y537-D540 PolarHBondContact N-OD2 3.42Å; Y537-D540 PolarHBondContact O-N 3.31Å; C538-D540 VanDerWaalsContact C-N 3.33Å; C538-D540 PolarHBondContact O-N 2.74Å
541L95.5Very high94.3Very high52 Ų5248.6 Ų48.627%0.27225%0.249SC..  trans-71.5133.5-179.5-63.5177.6000109.9K536 D539 I716 I728 R798K536-L541 HydrophobicContact CB-CD2 4.23Å; D539-L541 PolarHBondContact O-N 2.63Å; L541-I716 HydrophobicContact CB-CD1 4.09Å; L541-I716 HydrophobicContact CD1-CD1 4.47Å; L541-I728 HydrophobicContact CD1-CD1 3.89Å; L541-I728 HydrophobicContact CD1-CG2 3.68Å; L541-R798 PolarHBondContact O-NH2 3.04Å
542Q92.8Very high94.5Very high170 Ų17048.9 Ų48.979%0.79425%0.251SS*.  trans-93.8116.4176.5-65.5-65-43.200108.5
543I93Very high94.7Very high47 Ų4749.9 Ų49.924%0.24126%0.256CS..  trans-119.7125.4178.8-56.2-64000107.8A546 I716 I718 P796I543-A546 HydrophobicContact CB-CB 4Å; I543-A546 HydrophobicContact CG2-CB 4Å; I543-I716 HydrophobicContact CG1-CD1 4.05Å; I543-I716 HydrophobicContact CG1-CG2 4.01Å; I543-I718 HydrophobicContact CD1-CD1 3.98Å; I543-P796 HydrophobicContact CG2-CB 3.73Å; I543-P796 HydrophobicContact CG2-CG 3.94Å
544I88.2Confident95Very high143 Ų14349 Ų4973%0.73325%0.247SC*.THydrogen-bonded Turntrans-68.2133.3-177.7-59.6173.7000108.8A546I544-A546 PolarHBondContact O-N 3.32Å
545N87.9Confident95.1Very high126 Ų12649.7 Ų49.767%0.67425%0.248SC*.THydrogen-bonded Turntrans57.427177.4-55.2-25.8000115L547N545-L547 PolarHBondContact O-N 3.07Å
546A93.3Very high95.1Very high16 Ų1652.6 Ų52.613%0.13226%0.26CS..  trans-70.4130.3174.600000111.2I543 I544 P796I543-A546 HydrophobicContact CB-CB 4Å; I543-A546 HydrophobicContact CG2-CB 4Å; I544-A546 PolarHBondContact O-N 3.32Å; A546-P796 CarbonylContact C-O 3.56Å; A546-P796 WeakPolarHBondContact CA-O 3.44Å; A546-P796 HydrophobicContact CB-CB 4.14Å
547L96.1Very high95Very high12 Ų1247.6 Ų47.66%0.06324%0.239CC..EExtended strand (participates in β ladder)trans-83.3161.4169.4-58.4177000110.5N545 V576 V617 A618 T619 L795 P796 V797 R798N545-L547 PolarHBondContact O-N 3.07Å; L547-V576 HydrophobicContact CD1-CB 4.43Å; L547-V576 HydrophobicContact CD1-CG1 4.16Å; L547-V576 HydrophobicContact CD1-CG2 4.21Å; L547-V576 HydrophobicContact CD2-CG2 3.94Å; L547-V617 HydrophobicContact CB-CG1 3.64Å; L547-V617 HydrophobicContact CD1-CG1 3.67Å; L547-V617 HydrophobicContact CG-CG1 4.27Å; L547-A618 WeakPolarHBondContact CA-O 3.44Å; L547-T619 HydrophobicContact CD2-CG2 4.2Å; L547-L795 HydrophobicContact CD1-CB 4.15Å; L547-L795 HydrophobicContact CD1-CD1 4Å; L547-L795 HydrophobicContact CG-CB 4.35Å; L547-L795 HydrophobicContact CG-CD1 4.31Å; L547-P796 PolarHBondContact N-O 2.97Å; L547-V797 HydrophobicContact CB-CG2 4.26Å; L547-V797 WeakPolarHBondContact O-CA 3.4Å; L547-R798 PolarHBondContact O-N 2.73Å
548H96.5Very high94.9Very high40 Ų4048.3 Ų48.319%0.18524%0.243CC..EExtended strand (participates in β ladder)trans-113.8132.5-178.2-66.4-95.9000111V617 A618 P621H548-V617 CarbonylContact O-C 2.92Å; H548-V617 WeakPolarHBondContact O-CA 3.31Å; H548-A618 PolarHBondContact N-O 3.42Å; H548-A618 PolarHBondContact O-N 3.43Å; H548-P621 HydrophobicContact CB-CB 4.25Å
549L97.3Very high94.9Very high13 Ų1348 Ų487%0.06824%0.241CC..EExtended strand (participates in β ladder)trans-106.2132.4-179.8-172.6153000111.1F551 A615 I616 V617 P776 A780 V797 R798 C799L549-F551 HydrophobicContact CD2-CD1 3.79Å; L549-F551 HydrophobicContact CD2-CD2 4.35Å; L549-F551 HydrophobicContact CD2-CE1 3.38Å; L549-F551 HydrophobicContact CD2-CE2 3.97Å; L549-F551 HydrophobicContact CD2-CG 4.27Å; L549-F551 HydrophobicContact CD2-CZ 3.49Å; L549-F551 VanDerWaalsContact CD2-CZ 3.49Å; L549-A615 HydrophobicContact CD1-CB 4.05Å; L549-A615 HydrophobicContact CD2-CB 3.98Å; L549-A615 HydrophobicContact CG-CB 3.98Å; L549-I616 CarbonylContact C-O 3.59Å; L549-I616 WeakPolarHBondContact CA-O 3.29Å; L549-V617 HydrophobicContact CD1-CG2 4.49Å; L549-P776 HydrophobicContact CD1-CB 4.04Å; L549-A780 HydrophobicContact CD1-CB 3.88Å; L549-V797 HydrophobicContact CB-CG1 3.83Å; L549-V797 HydrophobicContact CD1-CG1 4.2Å; L549-R798 PolarHBondContact N-O 2.86Å; L549-C799 HydrophobicContact CB-CB 4.24Å; L549-C799 HydrophobicContact CD2-CB 4.34Å
550S96.5Very high95.1Very high14 Ų1449.4 Ų49.410%0.09825%0.245CC..EExtended strand (participates in β ladder)trans-128.1145.4169-173.70000110.6A615 I616 A624 S628S550-A615 CarbonylContact O-C 3.05Å; S550-A615 WeakPolarHBondContact O-CA 3.17Å; S550-I616 PolarHBondContact N-O 2.89Å; S550-I616 PolarHBondContact O-N 2.88Å; S550-A624 WeakPolarHBondContact CB-O 3.48Å; S550-S628 PolarHBondContact OG-OG 3.07Å; S550-S628 VanDerWaalsContact OG-OG 3.06Å
551F97.6Very high95.2Very high10 Ų1048.1 Ų48.14%0.04424%0.238CC..EExtended strand (participates in β ladder)trans-91.3144.4-173.9-64.1-66.8000113.2L549 L553 I612 A615 S628 V773 P776 C799 L801 M809L549-F551 HydrophobicContact CD2-CD1 3.79Å; L549-F551 HydrophobicContact CD2-CD2 4.35Å; L549-F551 HydrophobicContact CD2-CE1 3.38Å; L549-F551 HydrophobicContact CD2-CE2 3.97Å; L549-F551 HydrophobicContact CD2-CG 4.27Å; L549-F551 HydrophobicContact CD2-CZ 3.49Å; L549-F551 VanDerWaalsContact CD2-CZ 3.49Å; F551-L553 HydrophobicContact CB-CD2 3.49Å; F551-L553 VanDerWaalsContact CB-CD2 3.49Å; F551-L553 HydrophobicContact CB-CG 3.98Å; F551-L553 HydrophobicContact CG-CD2 4.3Å; F551-I612 HydrophobicContact CD1-CD1 4.09Å; F551-I612 HydrophobicContact CD1-CG1 4.26Å; F551-I612 HydrophobicContact CD1-CG2 3.62Å; F551-I612 HydrophobicContact CE1-CD1 3.88Å; F551-I612 HydrophobicContact CE1-CG2 4.2Å; F551-I612 HydrophobicContact CG-CG2 4.4Å; F551-I612 HydrophobicContact CZ-CD1 4.31Å; F551-A615 HydrophobicContact CD1-CB 4.24Å; F551-S628 WeakPolarHBondContact O-CB 3.38Å; F551-V773 HydrophobicContact CE2-CG1 4.26Å; F551-V773 HydrophobicContact CZ-CG1 4.47Å; F551-P776 HydrophobicContact CE1-CB 3.7Å; F551-P776 HydrophobicContact CE1-CG 3.69Å; F551-P776 HydrophobicContact CZ-CB 4.22Å; F551-P776 HydrophobicContact CZ-CG 4.1Å; F551-C799 WeakPolarHBondContact CE2-SG 3.38Å; F551-C799 VanDerWaalsContact CZ-SG 3.6Å; F551-L801 HydrophobicContact CD2-CD2 3.65Å; F551-L801 HydrophobicContact CE2-CD2 3.49Å; F551-L801 VanDerWaalsContact CE2-CD2 3.49Å; F551-M809 HydrophobicContact CD2-CE 3.69Å; F551-M809 HydrophobicContact CD2-SD 4.07Å; F551-M809 HydrophobicContact CE2-CE 3.8Å; F551-M809 HydrophobicContact CG-CE 4.21Å; F551-M809 HydrophobicContact CZ-CE 4.39Å
552V97.7Very high95.2Very high6 Ų650.5 Ų50.54%0.03625%0.25CS..EExtended strand (participates in β ladder)trans-92.5110.5161-178.50000107.3Y578 I613 G614 I616 V631 V633V552-Y578 HydrophobicContact CB-CE2 4.48Å; V552-Y578 HydrophobicContact CG2-CD2 4.44Å; V552-Y578 HydrophobicContact CG2-CE2 3.8Å; V552-I613 HydrophobicContact CG1-CB 4.42Å; V552-I613 WeakPolarHBondContact O-CB 3.36Å; V552-I613 PolarHBondContact O-N 3.2Å; V552-G614 PolarHBondContact N-O 3.35Å; V552-G614 PolarHBondContact O-N 2.94Å; V552-I616 HydrophobicContact CG2-CG1 4.45Å; V552-V631 HydrophobicContact CG1-CB 4.02Å; V552-V631 HydrophobicContact CG1-CG1 3.9Å; V552-V631 HydrophobicContact CG2-CB 3.88Å; V552-V631 HydrophobicContact CG2-CG1 4.17Å; V552-V631 HydrophobicContact CG2-CG2 3.69Å; V552-V633 HydrophobicContact CG1-CG2 4.22Å
553L97.1Very high95.4Very high26 Ų2646.9 Ų46.914%0.13624%0.236CC..EExtended strand (participates in β ladder)trans-104.2148.4-172.8-58.1-177.5000112.7F551 K555 Q611 I612 D805 V808 M809F551-L553 HydrophobicContact CB-CD2 3.49Å; F551-L553 VanDerWaalsContact CB-CD2 3.49Å; F551-L553 HydrophobicContact CB-CG 3.98Å; F551-L553 HydrophobicContact CG-CD2 4.3Å; L553-K555 PolarHBondContact O-N 3.26Å; L553-Q611 CarbonylContact C-O 3.5Å; L553-Q611 WeakPolarHBondContact CA-O 3.3Å; L553-I612 HydrophobicContact CD2-CG1 4.16Å; L553-D805 HydrophobicContact CD1-CB 4.25Å; L553-D805 WeakPolarHBondContact CD1-OD1 3.43Å; L553-V808 HydrophobicContact CD1-CG2 4.24Å; L553-M809 HydrophobicContact CD1-CG 4.15Å; L553-M809 HydrophobicContact CD1-SD 3.92Å; L553-M809 HydrophobicContact CD2-CE 4.29Å; L553-M809 HydrophobicContact CD2-CG 4.18Å; L553-M809 HydrophobicContact CD2-SD 3.82Å
554S97.5Very high95.6Very high1 Ų146.4 Ų46.41%0.00724%0.235CC..  trans-58.2127.6172.2177.20000111.7K556 V606 F608 G610 Q611S554-K556 PolarHBondContact OG-N 3.43Å; S554-K556 VanDerWaalsContact OG-N 3.15Å; S554-K556 PolarHBondContact OG-O 2.69Å; S554-V606 WeakPolarHBondContact OG-CG2 3.45Å; S554-F608 WeakPolarHBondContact CB-O 3.3Å; S554-F608 PolarHBondContact OG-O 3.39Å; S554-G610 PolarHBondContact O-N 3.36Å; S554-Q611 PolarHBondContact N-O 2.98Å
555K95.2Very high96Very high127 Ų12742.6 Ų42.655%0.55222%0.216SC*.SBendtrans-91.13.1172.8-61.8177.7-176.8169.40112.7L553 Y635L553-K555 PolarHBondContact O-N 3.26Å; K555-Y635 HydrophobicContact CB-CE2 4.46Å; K555-Y635 PolarHBondContact N-OH 3.23Å; K555-Y635 VanDerWaalsContact N-OH 3.17Å
556K95.9Very high96.4Very high64 Ų6437 Ų3728%0.27819%0.187SC..SBendtrans-125147.6-176.8-59.4-61.8-178175.60111.5S554 A559 F608 F609 Y635 E637S554-K556 PolarHBondContact OG-N 3.43Å; S554-K556 VanDerWaalsContact OG-N 3.15Å; S554-K556 PolarHBondContact OG-O 2.69Å; K556-A559 HydrophobicContact CB-CB 3.92Å; K556-A559 HydrophobicContact CG-CB 4.22Å; K556-F608 CarbonylContact O-C 3.45Å; K556-F608 VanDerWaalsContact O-C 3.3Å; K556-F609 WeakPolarHBondContact O-CA 3.47Å; K556-F609 PolarHBondContact O-N 2.72Å; K556-Y635 HydrophobicContact CB-CD1 4.3Å; K556-Y635 HydrophobicContact CB-CE1 4.46Å; K556-Y635 HydrophobicContact CG-CD1 3.78Å; K556-Y635 HydrophobicContact CG-CD2 3.97Å; K556-Y635 HydrophobicContact CG-CE1 4.1Å; K556-Y635 HydrophobicContact CG-CE2 4.31Å; K556-Y635 HydrophobicContact CG-CG 3.69Å; K556-E637 HydrophobicContact CD-CG 4.01Å; K556-E637 VanDerWaalsContact CE-OE1 3.29Å; K556-E637 WeakPolarHBondContact CE-OE1 3.48Å; K556-E637 HydrophobicContact CG-CG 4.47Å; K556-E637 IonicContact NZ-OE1 3.43Å; K556-E637 PolarHBondContact NZ-OE1 2.62Å
557G92.8Very high96.6Very high3 Ų339.3 Ų39.33%0.03120%0.203CC..SBendtrans-72.1-35.3175.500000113.2T607 F608 S1199G557-T607 CarbonylContact O-C 3.51Å; G557-F608 WeakPolarHBondContact O-CA 3.42Å; G557-F608 PolarHBondContact O-N 3.14Å; G557-F608 VanDerWaalsContact O-N 3.09Å; G557-S1199 WeakPolarHBondContact CA-O 3.47Å
558H95Very high96.5Very high31 Ų3143.3 Ų43.314%0.14423%0.225CC..SBendtrans-156.9120.8175.8-172.3-164.9000109.2E605 V606 L638 P639 C640 N878H558-E605 IonicContact CD2-OE1 2.79Å; H558-E605 PolarHBondContact CD2-OE1 3.28Å; H558-E605 IonicContact NE2-OE1 3.21Å; H558-E605 PolarHBondContact NE2-OE1 3.42Å; H558-E605 IonicContact NE2-OE2 2.75Å; H558-V606 VanDerWaalsContact CA-O 3.31Å; H558-V606 WeakPolarHBondContact CA-O 3.32Å; H558-V606 PolarHBondContact CD2-O 3.07Å; H558-L638 HydrophobicContact CB-CB 4.37Å; H558-L638 WeakPolarHBondContact NE2-CD1 3.43Å; H558-L638 PolarHBondContact O-N 3.05Å; H558-P639 PolarHBondContact ND1-O 3.33Å; H558-C640 HydrophobicContact CB-CB 4.25Å; H558-N878 HydrophobicContact CB-CB 4.31Å
559A97.1Very high96.5Very high0 Ų041.4 Ų41.40%022%0.216CC..EExtended strand (participates in β ladder)trans-163.1154.7-177.200000112.2K556 E605 V606 Y635 E636K556-A559 HydrophobicContact CB-CB 3.92Å; K556-A559 HydrophobicContact CG-CB 4.22Å; A559-E605 CarbonylContact O-C 3.57Å; A559-E605 VanDerWaalsContact O-CA 3.31Å; A559-E605 WeakPolarHBondContact O-CA 3.37Å; A559-E605 WeakPolarHBondContact O-CG 3.26Å; A559-V606 HydrophobicContact CB-CG2 3.88Å; A559-V606 PolarHBondContact N-O 3.43Å; A559-V606 WeakPolarHBondContact O-CG2 3.43Å; A559-V606 PolarHBondContact O-N 2.85Å; A559-Y635 HydrophobicContact CB-CD1 3.88Å; A559-Y635 HydrophobicContact CB-CG 4.37Å; A559-E636 CarbonylContact C-O 3.55Å; A559-E636 WeakPolarHBondContact CA-O 3.44Å; A559-E636 VanDerWaalsContact CB-O 3.31Å; A559-E636 WeakPolarHBondContact CB-O 3.43Å
560K98.3Very high96.4Very high82 Ų8245.1 Ų45.136%0.35724%0.235SC..EExtended strand (participates in β ladder)trans-77.9144.5163.5-53.9-178.1-168.7139.90110.3R604 Y635 E636 L638K560-R604 CarbonylContact C-O 3.6Å; K560-R604 WeakPolarHBondContact CA-O 3.41Å; K560-Y635 WeakPolarHBondContact O-CA 3.19Å; K560-E636 HydrophobicContact CB-CB 4.18Å; K560-E636 PolarHBondContact N-O 3.35Å; K560-E636 VanDerWaalsContact NZ-CD 3.34Å; K560-E636 IonicContact NZ-OE1 2.88Å; K560-E636 PolarHBondContact NZ-OE1 3.2Å; K560-E636 IonicContact NZ-OE2 3.28Å; K560-E636 PolarHBondContact NZ-OE2 2.9Å; K560-E636 PolarHBondContact O-N 3.4Å; K560-L638 HydrophobicContact CG-CD1 3.9Å; K560-L638 HydrophobicContact CG-CD2 4.42Å; K560-L638 HydrophobicContact CG-CG 4.31Å
561L97.3Very high96.3Very high28 Ų2849.9 Ų49.915%0.14726%0.264CS..EExtended strand (participates in β ladder)trans-86.8113.9170-66174000108.5A602 R604 V606 I613 V633 Y635L561-A602 HydrophobicContact CD1-CB 3.9Å; L561-R604 PolarHBondContact N-O 3.29Å; L561-V606 HydrophobicContact CD1-CG1 4.04Å; L561-V606 HydrophobicContact CD2-CG1 3.85Å; L561-V606 HydrophobicContact CG-CG1 4.02Å; L561-I613 HydrophobicContact CD1-CG1 4.46Å; L561-I613 HydrophobicContact CD1-CG2 4.27Å; L561-I613 HydrophobicContact CD2-CD1 3.88Å; L561-I613 HydrophobicContact CD2-CG1 4.3Å; L561-V633 HydrophobicContact CD2-CG1 3.78Å; L561-Y635 HydrophobicContact CD2-CD1 4.06Å; L561-Y635 HydrophobicContact CD2-CE1 3.8Å
562L96.9Very high96Very high102 Ų10250.9 Ų50.953%0.53427%0.269SS..EExtended strand (participates in β ladder)trans-91.6-45.3179.8-62.8-176.7000111.9T634 E636L562-T634 HydrophobicContact CB-CG2 4.15Å; L562-T634 HydrophobicContact CD1-CG2 4.11Å; L562-T634 PolarHBondContact N-O 2.82Å; L562-E636 HydrophobicContact CD1-CB 4.13Å; L562-E636 HydrophobicContact CD2-CB 4.21Å; L562-E636 HydrophobicContact CG-CB 4.21Å
563N96.3Very high95.7Very high94 Ų9457.8 Ų57.850%0.50331%0.305SS..EExtended strand (participates in β ladder)trans-152.9144.9178.4-171.739.8000110.1T634N563-T634 PolarHBondContact O-N 3.47Å
564V96.7Very high95.5Very high36 Ų3657.3 Ų57.322%0.21831%0.307CS..EExtended strand (participates in β ladder)trans-129.8116.3173.1-177.30000107.4Y578 I613 V631 E632 V633V564-Y578 HydrophobicContact CG1-CE1 4.45Å; V564-Y578 VanDerWaalsContact CG1-OH 3.24Å; V564-Y578 WeakPolarHBondContact CG1-OH 3.46Å; V564-I613 HydrophobicContact CG1-CG2 4.31Å; V564-I613 HydrophobicContact CG2-CG2 3.82Å; V564-V631 HydrophobicContact CG1-CG1 3.76Å; V564-E632 WeakPolarHBondContact CA-O 3.31Å; V564-V633 HydrophobicContact CG1-CG2 4.22Å; V564-V633 HydrophobicContact CG2-CG1 4.19Å; V564-V633 HydrophobicContact CG2-CG2 4.44Å
565D97.4Very high95.4Very high63 Ų6358.4 Ų58.434%0.33731%0.313SS..EExtended strand (participates in β ladder)trans-117.3114.6-177.7-172.61.2000110.5S567 V631 E632D565-S567 WeakPolarHBondContact OD1-CB 3.34Å; D565-S567 PolarHBondContact OD1-N 2.97Å; D565-S567 PolarHBondContact OD1-OG 2.89Å; D565-V631 WeakPolarHBondContact O-CA 3.49Å; D565-E632 HydrophobicContact CB-CB 4.48Å; D565-E632 PolarHBondContact N-O 2.73Å; D565-E632 PolarHBondContact O-N 3.5Å
566A96.8Very high95.3Very high8 Ų855.8 Ų55.87%0.06631%0.307CS..  trans-105.79.8178.500000113D568 A569 L570 Y578 V631A566-D568 PolarHBondContact O-N 3.07Å; A566-A569 WeakPolarHBondContact O-CB 3.27Å; A566-A569 PolarHBondContact O-N 3.23Å; A566-A569 VanDerWaalsContact O-N 3.15Å; A566-L570 WeakPolarHBondContact O-CG 3.09Å; A566-L570 PolarHBondContact O-N 3.4Å; A566-Y578 HydrophobicContact CB-CD1 3.45Å; A566-Y578 VanDerWaalsContact CB-CD1 3.45Å; A566-Y578 HydrophobicContact CB-CD2 4.1Å; A566-Y578 HydrophobicContact CB-CE1 3.91Å; A566-Y578 HydrophobicContact CB-CG 3.54Å; A566-V631 HydrophobicContact CB-CG1 4.24Å; A566-V631 HydrophobicContact CB-CG2 3.97Å
567S96.9Very high95.2Very high66 Ų6653.5 Ų53.546%0.46230%0.301SS..Hα-helixtrans-54.9-48.7-172.8-580000112.2D565 L570 T571D565-S567 WeakPolarHBondContact OD1-CB 3.34Å; D565-S567 PolarHBondContact OD1-N 2.97Å; D565-S567 PolarHBondContact OD1-OG 2.89Å; S567-L570 PolarHBondContact O-N 3.01Å; S567-T571 WeakPolarHBondContact O-CG2 3.28Å; S567-T571 PolarHBondContact O-N 3.29Å
568D94.9Very high95.3Very high96 Ų9654.7 Ų54.751%0.51331%0.305SS..Hα-helixtrans-65.4-41.9179.5-73-6.2000112A566 L570 T571 M630A566-D568 PolarHBondContact O-N 3.07Å; D568-L570 VanDerWaalsContact C-N 3.27Å; D568-L570 PolarHBondContact O-N 2.98Å; D568-T571 PolarHBondContact O-N 3.45Å; D568-T571 VanDerWaalsContact O-N 3.11Å; D568-T571 PolarHBondContact O-OG1 3.44Å; D568-M630 HydrophobicContact CB-CE 3.99Å
569A94.8Very high95.4Very high0 Ų054 Ų540%030%0.301CS..Hα-helixtrans-60.2-37.9177.900000112A566 T571 Q572 I616 A627 M630 V631A566-A569 WeakPolarHBondContact O-CB 3.27Å; A566-A569 PolarHBondContact O-N 3.23Å; A566-A569 VanDerWaalsContact O-N 3.15Å; A569-T571 VanDerWaalsContact C-N 3.26Å; A569-T571 PolarHBondContact O-N 2.91Å; A569-Q572 WeakPolarHBondContact O-CB 3.31Å; A569-Q572 PolarHBondContact O-N 3.27Å; A569-I616 HydrophobicContact CB-CD1 4.07Å; A569-A627 HydrophobicContact CB-CB 4.24Å; A569-A627 VanDerWaalsContact CB-O 3.24Å; A569-A627 WeakPolarHBondContact CB-O 3.36Å; A569-M630 HydrophobicContact CB-CB 4.12Å; A569-V631 HydrophobicContact CB-CG2 3.83Å
570L95.5Very high95.3Very high90 Ų9055.2 Ų55.247%0.47131%0.308SS..Hα-helixtrans-70.6-18.2178.3-72170.5000113.7A566 S567 D568 Q572 V575A566-L570 WeakPolarHBondContact O-CG 3.09Å; A566-L570 PolarHBondContact O-N 3.4Å; S567-L570 PolarHBondContact O-N 3.01Å; D568-L570 VanDerWaalsContact C-N 3.27Å; D568-L570 PolarHBondContact O-N 2.98Å; L570-Q572 VanDerWaalsContact C-N 3.31Å; L570-V575 HydrophobicContact CD2-CG1 4.25Å
571T95.2Very high95.2Very high114 Ų11452.7 Ų52.770%0.69930%0.299SS*.THydrogen-bonded Turntrans-79.5-14.517569.50000113.4S567 D568 A569 D573S567-T571 WeakPolarHBondContact O-CG2 3.28Å; S567-T571 PolarHBondContact O-N 3.29Å; D568-T571 PolarHBondContact O-N 3.45Å; D568-T571 VanDerWaalsContact O-N 3.11Å; D568-T571 PolarHBondContact O-OG1 3.44Å; A569-T571 VanDerWaalsContact C-N 3.26Å; A569-T571 PolarHBondContact O-N 2.91Å; T571-D573 PolarHBondContact O-N 3.12Å
572Q90.4Very high95.1Very high32 Ų3257.8 Ų57.815%0.1533%0.326CS..SBendtrans-71.7127.2-177.5-174.5178.3-16.500110.9A569 L570 G574 V575 I623 M630A569-Q572 WeakPolarHBondContact O-CB 3.31Å; A569-Q572 PolarHBondContact O-N 3.27Å; L570-Q572 VanDerWaalsContact C-N 3.31Å; Q572-G574 PolarHBondContact O-N 3.24Å; Q572-V575 HydrophobicContact CB-CG2 3.89Å; Q572-V575 HydrophobicContact CG-CG2 4.36Å; Q572-V575 WeakPolarHBondContact O-CB 3.18Å; Q572-V575 WeakPolarHBondContact O-CG2 3.47Å; Q572-V575 PolarHBondContact O-N 3.13Å; Q572-V575 VanDerWaalsContact O-N 3.1Å; Q572-I623 HydrophobicContact CG-CG2 4.4Å; Q572-M630 PolarHBondContact OE1-SD 3.13Å
573D91.9Very high94.9Very high151 Ų15155.5 Ų55.581%0.80732%0.315SS*.THydrogen-bonded Turntrans-58.1138.4177.7-172.531.2000111.6T571 V575 I623T571-D573 PolarHBondContact O-N 3.12Å; D573-V575 VanDerWaalsContact C-N 3.33Å; D573-I623 WeakPolarHBondContact O-CG2 3.29Å
574G92.7Very high94.7Very high16 Ų1652.1 Ų52.117%0.16530%0.296CS..THydrogen-bonded Turntrans84.2-10-173.500000115.7Q572 A618 T619Q572-G574 PolarHBondContact O-N 3.24Å; G574-A618 CarbonylContact O-C 3.34Å; G574-A618 WeakPolarHBondContact O-CA 2.82Å; G574-A618 VanDerWaalsContact O-CB 3.3Å; G574-A618 WeakPolarHBondContact O-CB 3.33Å; G574-T619 PolarHBondContact O-N 3.37Å; G574-T619 PolarHBondContact O-OG1 3.26Å
575V94.9Very high94.5Very high23 Ų2351.9 Ų51.914%0.13930%0.296CS..EExtended strand (participates in β ladder)trans-74.6127.2170.6177.40000109.6L570 Q572 D573 I616 I623 A627L570-V575 HydrophobicContact CD2-CG1 4.25Å; Q572-V575 HydrophobicContact CB-CG2 3.89Å; Q572-V575 HydrophobicContact CG-CG2 4.36Å; Q572-V575 WeakPolarHBondContact O-CB 3.18Å; Q572-V575 WeakPolarHBondContact O-CG2 3.47Å; Q572-V575 PolarHBondContact O-N 3.13Å; Q572-V575 VanDerWaalsContact O-N 3.1Å; D573-V575 VanDerWaalsContact C-N 3.33Å; V575-I616 HydrophobicContact CG1-CG2 4.12Å; V575-I616 HydrophobicContact CG2-CG2 4.43Å; V575-I623 HydrophobicContact CG2-CG2 3.88Å; V575-A627 HydrophobicContact CG2-CB 3.51Å
576V93.3Very high94Very high72 Ų7259.3 Ų59.344%0.43633%0.325SS..EExtended strand (participates in β ladder)trans-95-44.2-178.71780000111L547 V617 T619L547-V576 HydrophobicContact CD1-CB 4.43Å; L547-V576 HydrophobicContact CD1-CG1 4.16Å; L547-V576 HydrophobicContact CD1-CG2 4.21Å; L547-V576 HydrophobicContact CD2-CG2 3.94Å; V576-V617 HydrophobicContact CB-CG1 4.5Å; V576-V617 PolarHBondContact N-O 3.02Å; V576-T619 HydrophobicContact CG2-CG2 4.25Å
577A93.9Very high93.7Very high17 Ų1765.6 Ų65.614%0.1435%0.353CS..EExtended strand (participates in β ladder)trans-160.5155.4-178.700000112.2F579 V617A577-F579 HydrophobicContact CB-CD2 4.35Å; A577-F579 HydrophobicContact CB-CE1 4.12Å; A577-F579 HydrophobicContact CB-CE2 3.8Å; A577-F579 HydrophobicContact CB-CZ 3.66Å; A577-V617 PolarHBondContact N-O 3.46Å; A577-V617 PolarHBondContact O-N 3.24Å
578Y96Very high93.5Very high28 Ų2864.2 Ų64.211%0.1134%0.337CS..EExtended strand (participates in β ladder)trans-108137.6157.2173.4-111.8000107.6V552 V564 A566 D580 A615 I616V552-Y578 HydrophobicContact CB-CE2 4.48Å; V552-Y578 HydrophobicContact CG2-CD2 4.44Å; V552-Y578 HydrophobicContact CG2-CE2 3.8Å; V564-Y578 HydrophobicContact CG1-CE1 4.45Å; V564-Y578 VanDerWaalsContact CG1-OH 3.24Å; V564-Y578 WeakPolarHBondContact CG1-OH 3.46Å; A566-Y578 HydrophobicContact CB-CD1 3.45Å; A566-Y578 VanDerWaalsContact CB-CD1 3.45Å; A566-Y578 HydrophobicContact CB-CD2 4.1Å; A566-Y578 HydrophobicContact CB-CE1 3.91Å; A566-Y578 HydrophobicContact CB-CG 3.54Å; Y578-D580 HydrophobicContact CE1-CB 3.89Å; Y578-A615 CarbonylContact C-O 3.52Å; Y578-A615 WeakPolarHBondContact CA-O 3.33Å; Y578-A615 WeakPolarHBondContact CD2-O 3.36Å; Y578-I616 HydrophobicContact CD2-CD1 3.65Å; Y578-I616 HydrophobicContact CD2-CG1 4.2Å; Y578-I616 HydrophobicContact CG-CD1 4.13Å
579F96.3Very high93.5Very high16 Ų1661.4 Ų61.47%0.0733%0.325CS..EExtended strand (participates in β ladder)trans-126.7136.7174.7-65.9-56.6000111.4A577 D583 F601 G614 A615 V617 F779 A780 K783A577-F579 HydrophobicContact CB-CD2 4.35Å; A577-F579 HydrophobicContact CB-CE1 4.12Å; A577-F579 HydrophobicContact CB-CE2 3.8Å; A577-F579 HydrophobicContact CB-CZ 3.66Å; F579-D583 VanDerWaalsContact CA-OD2 3.31Å; F579-D583 WeakPolarHBondContact CA-OD2 3.44Å; F579-D583 HydrophobicContact CD1-CB 3.9Å; F579-F601 HydrophobicContact CB-CE2 4.34Å; F579-F601 HydrophobicContact CB-CZ 4.43Å; F579-G614 CarbonylContact O-C 3.58Å; F579-G614 WeakPolarHBondContact O-CA 3.35Å; F579-A615 PolarHBondContact N-O 3.12Å; F579-A615 PolarHBondContact O-N 3.44Å; F579-V617 HydrophobicContact CD2-CG2 3.98Å; F579-V617 HydrophobicContact CE2-CG2 3.99Å; F579-F779 HydrophobicContact CB-CD1 4.48Å; F579-F779 HydrophobicContact CB-CE1 3.69Å; F579-F779 AromaticContact CD1-CE1 3.97Å; F579-F779 HydrophobicContact CD1-CE1 3.97Å; F579-F779 HydrophobicContact CD1-CZ 4.45Å; F579-F779 HydrophobicContact CD2-CD1 4.45Å; F579-F779 AromaticContact CD2-CE1 4Å; F579-F779 HydrophobicContact CD2-CE1 4Å; F579-F779 HydrophobicContact CG-CD1 4.46Å; F579-F779 AromaticContact CG-CE1 3.63Å; F579-F779 HydrophobicContact CG-CE1 3.63Å; F579-A780 HydrophobicContact CD2-CB 4.31Å; F579-A780 HydrophobicContact CE2-CB 4.26Å; F579-K783 HydrophobicContact CE1-CB 4.05Å; F579-K783 HydrophobicContact CE2-CB 4.24Å; F579-K783 HydrophobicContact CZ-CB 3.68Å
580D95.9Very high93.5Very high25 Ų2562.1 Ų62.113%0.13433%0.329CS..  trans-132.5-166.1170.675.611000111.7Y578 N582 D583 F601Y578-D580 HydrophobicContact CE1-CB 3.89Å; D580-N582 PolarHBondContact O-N 3.08Å; D580-N582 WeakPolarHBondContact OD1-CA 3.11Å; D580-N582 WeakPolarHBondContact OD1-CB 3.12Å; D580-N582 PolarHBondContact OD1-N 3.08Å; D580-N582 PolarHBondContact OD1-ND2 3.35Å; D580-N582 VanDerWaalsContact OD1-ND2 3.08Å; D580-N582 PolarHBondContact OD2-ND2 2.95Å; D580-D583 PolarHBondContact N-OD2 2.82Å; D580-D583 PolarHBondContact O-N 3.36Å; D580-F601 VanDerWaalsContact C-CD2 3.42Å; D580-F601 WeakPolarHBondContact O-CD2 3.16Å
581V96.1Very high93.6Very high30 Ų3062.6 Ų62.618%0.18233%0.329CS..G310 helixtrans-61.8-27179.867.90000114.2D583 I584 N590 F601 E603V581-D583 VanDerWaalsContact C-N 3.27Å; V581-D583 PolarHBondContact O-N 2.99Å; V581-I584 HydrophobicContact CG2-CD1 4.32Å; V581-I584 PolarHBondContact O-N 3.41Å; V581-N590 WeakPolarHBondContact CG2-ND2 3.08Å; V581-F601 HydrophobicContact CB-CB 4.06Å; V581-E603 HydrophobicContact CB-CG 4.34Å; V581-E603 HydrophobicContact CG1-CG 4.43Å; V581-E603 HydrophobicContact CG2-CG 3.47Å; V581-E603 VanDerWaalsContact CG2-CG 3.47Å
582N94.5Very high93.6Very high134 Ų13457.8 Ų57.872%0.71730%0.298SS*.G310 helixtrans-74.2-20.7-178.6-55.5-65.1000112.2D580 I584D580-N582 PolarHBondContact O-N 3.08Å; D580-N582 WeakPolarHBondContact OD1-CA 3.11Å; D580-N582 WeakPolarHBondContact OD1-CB 3.12Å; D580-N582 PolarHBondContact OD1-N 3.08Å; D580-N582 PolarHBondContact OD1-ND2 3.35Å; D580-N582 VanDerWaalsContact OD1-ND2 3.08Å; D580-N582 PolarHBondContact OD2-ND2 2.95Å; N582-I584 VanDerWaalsContact C-N 3.33Å
583D93.4Very high93.7Very high55 Ų5557 Ų5729%0.29430%0.299SS..G310 helixtrans-81.9-11.6177.8-65.5-65.7000113.9F579 D580 V581 P585 F779 K783F579-D583 VanDerWaalsContact CA-OD2 3.31Å; F579-D583 WeakPolarHBondContact CA-OD2 3.44Å; F579-D583 HydrophobicContact CD1-CB 3.9Å; D580-D583 PolarHBondContact N-OD2 2.82Å; D580-D583 PolarHBondContact O-N 3.36Å; V581-D583 VanDerWaalsContact C-N 3.27Å; V581-D583 PolarHBondContact O-N 2.99Å; D583-P585 WeakPolarHBondContact O-CD 3.32Å; D583-F779 HydrophobicContact CB-CZ 4.02Å; D583-K783 PolarHBondContact O-NZ 2.93Å
584I92.2Very high93.6Very high22 Ų2254.8 Ų54.811%0.11328%0.284CS..SBendtrans-74117.8179.5-55.7177.1000109.3V581 N582 W588 N590 M600 F601 F779V581-I584 HydrophobicContact CG2-CD1 4.32Å; V581-I584 PolarHBondContact O-N 3.41Å; N582-I584 VanDerWaalsContact C-N 3.33Å; I584-W588 HydrophobicContact CG2-CB 3.82Å; I584-N590 HydrophobicContact CD1-CB 3.74Å; I584-N590 WeakPolarHBondContact CD1-OD1 3.04Å; I584-M600 HydrophobicContact CD1-CE 3.44Å; I584-M600 VanDerWaalsContact CD1-CE 3.44Å; I584-M600 HydrophobicContact CG1-CE 3.9Å; I584-F601 HydrophobicContact CD1-CD2 4.02Å; I584-F601 HydrophobicContact CG1-CD2 4.36Å; I584-F779 HydrophobicContact CB-CE2 4.41Å; I584-F779 HydrophobicContact CG1-CE2 3.95Å; I584-F779 HydrophobicContact CG1-CZ 4.25Å
585P90.9Very high93.5Very high31 Ų3158.4 Ų58.420%0.20130%0.296CS..  trans-57.6144175.1-23.334.2000112D583 H587 W588D583-P585 WeakPolarHBondContact O-CD 3.32Å; P585-H587 VanDerWaalsContact CB-CE1 3.44Å; P585-H587 WeakPolarHBondContact CB-CE1 3.2Å; P585-H587 PolarHBondContact O-N 2.96Å; P585-W588 HydrophobicContact CB-CD2 4.3Å; P585-W588 HydrophobicContact CB-CG 4.15Å; P585-W588 VanDerWaalsContact CD-CE3 3.5Å; P585-W588 HydrophobicContact CG-CD2 3.79Å; P585-W588 HydrophobicContact CG-CE3 3.98Å; P585-W588 HydrophobicContact CG-CG 4.16Å; P585-W588 HydrophobicContact CG-CH2 4.46Å; P585-W588 HydrophobicContact CG-CZ2 4.34Å; P585-W588 HydrophobicContact CG-CZ3 4.31Å; P585-W588 WeakPolarHBondContact O-CB 3.31Å; P585-W588 PolarHBondContact O-N 3.49Å
586K88.7Confident93.4Very high219 Ų21961.2 Ų61.295%0.95231%0.307SS*.THydrogen-bonded Turntrans-57.5-22.1-177.9-67.5-176.3178.9178.40115.6
587H88.5Confident93.5Very high141 Ų14160.4 Ų60.465%0.65330%0.3SS*.THydrogen-bonded Turntrans-91.9-0.517962.1-81000112.9P585P585-H587 VanDerWaalsContact CB-CE1 3.44Å; P585-H587 WeakPolarHBondContact CB-CE1 3.2Å; P585-H587 PolarHBondContact O-N 2.96Å
588W93.3Very high93.5Very high36 Ų3661 Ų6114%0.13630%0.3CS..SBendtrans-100.1159.8173.2-70.411000109.7I584 P585 M744 L745 F779 R782 K783I584-W588 HydrophobicContact CG2-CB 3.82Å; P585-W588 HydrophobicContact CB-CD2 4.3Å; P585-W588 HydrophobicContact CB-CG 4.15Å; P585-W588 VanDerWaalsContact CD-CE3 3.5Å; P585-W588 HydrophobicContact CG-CD2 3.79Å; P585-W588 HydrophobicContact CG-CE3 3.98Å; P585-W588 HydrophobicContact CG-CG 4.16Å; P585-W588 HydrophobicContact CG-CH2 4.46Å; P585-W588 HydrophobicContact CG-CZ2 4.34Å; P585-W588 HydrophobicContact CG-CZ3 4.31Å; P585-W588 WeakPolarHBondContact O-CB 3.31Å; P585-W588 PolarHBondContact O-N 3.49Å; W588-M744 CarbonylContact C-O 3.59Å; W588-M744 WeakPolarHBondContact CA-O 3.31Å; W588-M744 WeakPolarHBondContact CB-O 3.3Å; W588-M744 HydrophobicContact CE3-SD 4.09Å; W588-L745 VanDerWaalsContact CD1-O 3.29Å; W588-L745 HydrophobicContact CD2-CD2 4.32Å; W588-L745 HydrophobicContact CE3-CD2 4.04Å; W588-L745 HydrophobicContact CH2-CD2 3.8Å; W588-L745 HydrophobicContact CZ2-CD2 4.05Å; W588-L745 HydrophobicContact CZ3-CD2 3.77Å; W588-L745 PolarHBondContact NE1-O 2.87Å; W588-L745 VanDerWaalsContact NE1-O 3.1Å; W588-F779 AromaticContact CE3-CD2 3.69Å; W588-F779 HydrophobicContact CE3-CD2 3.69Å; W588-F779 AromaticContact CE3-CE2 3.85Å; W588-F779 HydrophobicContact CE3-CE2 3.85Å; W588-F779 AromaticContact CZ3-CD2 3.5Å; W588-F779 HydrophobicContact CZ3-CD2 3.5Å; W588-F779 VanDerWaalsContact CZ3-CD2 3.5Å; W588-F779 AromaticContact CZ3-CE2 3.7Å; W588-F779 HydrophobicContact CZ3-CE2 3.7Å; W588-R782 HydrophobicContact CH2-CB 4.01Å; W588-R782 HydrophobicContact CH2-CG 3.46Å; W588-R782 VanDerWaalsContact CH2-CG 3.46Å; W588-R782 HydrophobicContact CZ2-CG 3.95Å; W588-R782 HydrophobicContact CZ3-CG 4.46Å; W588-K783 HydrophobicContact CH2-CD 4.31Å; W588-K783 HydrophobicContact CH2-CG 4.23Å; W588-K783 HydrophobicContact CZ3-CD 4.33Å; W588-K783 HydrophobicContact CZ3-CG 4.05Å
589S94.5Very high93.6Very high37 Ų3761.6 Ų61.626%0.25931%0.306SS..  trans-104127.4-179.5-176.50000111.7Q591 M744S589-Q591 PolarHBondContact OG-N 3.25Å; S589-Q591 VanDerWaalsContact OG-N 3.11Å; S589-Q591 PolarHBondContact OG-O 3.35Å; S589-M744 PolarHBondContact N-O 2.84Å; S589-M744 WeakPolarHBondContact O-CG 3.45Å
590N96.4Very high93.6Very high15 Ų1561 Ų618%0.0830%0.304CS..  trans-81.2-19.3165.4-171.829.5000112.1V581 I584 T599 M600 F601 E603V581-N590 WeakPolarHBondContact CG2-ND2 3.08Å; I584-N590 HydrophobicContact CD1-CB 3.74Å; I584-N590 WeakPolarHBondContact CD1-OD1 3.04Å; N590-T599 CarbonylContact O-C 3.59Å; N590-T599 VanDerWaalsContact O-CA 3.3Å; N590-T599 WeakPolarHBondContact O-CA 3.37Å; N590-M600 PolarHBondContact O-N 3.2Å; N590-M600 WeakPolarHBondContact OD1-CB 3.27Å; N590-M600 PolarHBondContact OD1-N 2.95Å; N590-F601 PolarHBondContact ND2-O 2.74Å; N590-F601 PolarHBondContact OD1-N 2.79Å; N590-F601 PolarHBondContact OD1-O 3.47Å; N590-E603 PolarHBondContact ND2-OE1 2.8Å
591Q95.8Very high93.7Very high101 Ų10159.8 Ų59.847%0.47230%0.297SS..EExtended strand (participates in β ladder)trans-92.8138-174.5-68-179.9-16.500112.4S589 Q598S589-Q591 PolarHBondContact OG-N 3.25Å; S589-Q591 VanDerWaalsContact OG-N 3.11Å; S589-Q591 PolarHBondContact OG-O 3.35Å; Q591-Q598 CarbonylContact C-O 3.57Å; Q591-Q598 VanDerWaalsContact CA-O 3.29Å; Q591-Q598 WeakPolarHBondContact CA-O 3.37Å
592F95.3Very high93.7Very high12 Ų1258.5 Ų58.55%0.05329%0.29CS..EExtended strand (participates in β ladder)trans-141.7-177.1175.677-82.2000111.8K596 D597 Q598 T599 I771 I772 L775F592-K596 WeakPolarHBondContact O-CA 3.25Å; F592-D597 PolarHBondContact O-N 2.84Å; F592-Q598 HydrophobicContact CD1-CB 3.92Å; F592-Q598 HydrophobicContact CD2-CB 4.25Å; F592-Q598 HydrophobicContact CE1-CB 3.53Å; F592-Q598 HydrophobicContact CE2-CB 3.87Å; F592-Q598 HydrophobicContact CE2-CG 4.46Å; F592-Q598 VanDerWaalsContact CE2-OE1 3.31Å; F592-Q598 HydrophobicContact CG-CB 4.26Å; F592-Q598 HydrophobicContact CZ-CB 3.48Å; F592-Q598 VanDerWaalsContact CZ-CB 3.48Å; F592-Q598 HydrophobicContact CZ-CG 4.3Å; F592-Q598 VanDerWaalsContact CZ-OE1 3.24Å; F592-Q598 PolarHBondContact N-O 2.99Å; F592-Q598 PolarHBondContact O-N 3.01Å; F592-T599 VanDerWaalsContact CE1-C 3.47Å; F592-I771 HydrophobicContact CD2-CG2 3.75Å; F592-I771 HydrophobicContact CE2-CG2 4.14Å; F592-I771 HydrophobicContact CG-CG2 4.43Å; F592-I772 HydrophobicContact CE2-CG2 4.18Å; F592-I772 HydrophobicContact CZ-CG2 3.88Å; F592-L775 HydrophobicContact CB-CD1 3.62Å; F592-L775 HydrophobicContact CD1-CD1 3.72Å; F592-L775 HydrophobicContact CD2-CD1 4.13Å; F592-L775 HydrophobicContact CE1-CD1 4.42Å; F592-L775 HydrophobicContact CG-CD1 3.55Å
593G92.6Very high93.7Very high17 Ų1757.2 Ų57.218%0.17528%0.279CS..SBendtrans88.7160.4-176.300000112.7H595 K596G593-H595 PolarHBondContact O-N 3.5Å; G593-K596 PolarHBondContact O-N 3.37Å
594H89.6Confident93.7Very high103 Ų10364.4 Ų64.448%0.47730%0.302SS..THydrogen-bonded Turntrans-62.5-27.3-174.3-62.8-55.3000114D736H594-D736 IonicContact CE1-OD2 2.73Å; H594-D736 PolarHBondContact CE1-OD2 3.01Å; H594-D736 VanDerWaalsContact CE1-OD2 3.25Å; H594-D736 IonicContact NE2-OD2 2.68Å
595H91.7Very high93.9Very high93 Ų9367 Ų6743%0.43131%0.314SS..THydrogen-bonded Turntrans-103.95.6177.8-62.685.4000112.8G593 D597 Y845G593-H595 PolarHBondContact O-N 3.5Å; H595-D597 HydrophobicContact CB-CB 4.38Å; H595-D597 PolarHBondContact O-N 3.46Å; H595-Y845 HydrophobicContact CB-CD2 3.95Å; H595-Y845 HydrophobicContact CB-CG 4.3Å; H595-Y845 AromaticContact CG-CD2 3.92Å; H595-Y845 AromaticContact CG-CG 3.84Å; H595-Y845 WeakPolarHBondContact ND1-CB 3.33Å; H595-Y845 AromaticContact ND1-CG 3.75Å
596K93.4Very high94.2Very high81 Ų8165.5 Ų65.535%0.35231%0.305SS..SBendtrans53.938.7-176.8-56.7-61.4-177-175.30113.3F592 G593 E743F592-K596 WeakPolarHBondContact O-CA 3.25Å; G593-K596 PolarHBondContact O-N 3.37Å; K596-E743 IonicContact NZ-OE1 3.69Å; K596-E743 IonicContact NZ-OE2 2.69Å; K596-E743 PolarHBondContact NZ-OE2 3.28Å
597D93.9Very high94.5Very high55 Ų5556.1 Ų56.129%0.29427%0.266SS..  trans-114.74.3-173.165.9-39.5000113.5F592 H595 S844 Y845F592-D597 PolarHBondContact O-N 2.84Å; H595-D597 HydrophobicContact CB-CB 4.38Å; H595-D597 PolarHBondContact O-N 3.46Å; D597-S844 WeakPolarHBondContact OD2-CA 3.37Å; D597-S844 VanDerWaalsContact OD2-CB 3.26Å; D597-S844 WeakPolarHBondContact OD2-CB 3.31Å; D597-Y845 VanDerWaalsContact OD2-CD2 3.31Å; D597-Y845 WeakPolarHBondContact OD2-CD2 3.44Å; D597-Y845 PolarHBondContact OD2-N 3.08Å
598Q95.5Very high94.9Very high30 Ų3050.5 Ų50.514%0.1424%0.239CC..EExtended strand (participates in β ladder)trans-112.6152.2172.5-61.6-178.454.500110.5Q591 F592 S844Q591-Q598 CarbonylContact C-O 3.57Å; Q591-Q598 VanDerWaalsContact CA-O 3.29Å; Q591-Q598 WeakPolarHBondContact CA-O 3.37Å; F592-Q598 HydrophobicContact CD1-CB 3.92Å; F592-Q598 HydrophobicContact CD2-CB 4.25Å; F592-Q598 HydrophobicContact CE1-CB 3.53Å; F592-Q598 HydrophobicContact CE2-CB 3.87Å; F592-Q598 HydrophobicContact CE2-CG 4.46Å; F592-Q598 VanDerWaalsContact CE2-OE1 3.31Å; F592-Q598 HydrophobicContact CG-CB 4.26Å; F592-Q598 HydrophobicContact CZ-CB 3.48Å; F592-Q598 VanDerWaalsContact CZ-CB 3.48Å; F592-Q598 HydrophobicContact CZ-CG 4.3Å; F592-Q598 VanDerWaalsContact CZ-OE1 3.24Å; F592-Q598 PolarHBondContact N-O 2.99Å; F592-Q598 PolarHBondContact O-N 3.01Å; Q598-S844 VanDerWaalsContact CD-OG 3.31Å; Q598-S844 VanDerWaalsContact CG-OG 3.29Å; Q598-S844 WeakPolarHBondContact CG-OG 3.17Å; Q598-S844 PolarHBondContact NE2-OG 2.97Å; Q598-S844 VanDerWaalsContact NE2-OG 3.14Å
599T96.4Very high95.1Very high40 Ų4049.7 Ų49.725%0.24524%0.237CC..EExtended strand (participates in β ladder)trans-123.1138.3-179.155.80000111.3N590 F592 F601N590-T599 CarbonylContact O-C 3.59Å; N590-T599 VanDerWaalsContact O-CA 3.3Å; N590-T599 WeakPolarHBondContact O-CA 3.37Å; F592-T599 VanDerWaalsContact CE1-C 3.47Å; T599-F601 WeakPolarHBondContact CB-O 3.49Å
600M96.5Very high95.1Very high3 Ų348 Ų482%0.01523%0.225CC..SBendtrans-62.7-47.8174.3-178.5-17965.400111I584 N590 M744 L775 P776 F779I584-M600 HydrophobicContact CD1-CE 3.44Å; I584-M600 VanDerWaalsContact CD1-CE 3.44Å; I584-M600 HydrophobicContact CG1-CE 3.9Å; N590-M600 PolarHBondContact O-N 3.2Å; N590-M600 WeakPolarHBondContact OD1-CB 3.27Å; N590-M600 PolarHBondContact OD1-N 2.95Å; M600-M744 HydrophobicContact SD-CG 4.4Å; M600-L775 HydrophobicContact CG-CB 4.06Å; M600-L775 HydrophobicContact SD-CB 3.77Å; M600-P776 HydrophobicContact CG-CG 3.78Å; M600-P776 HydrophobicContact SD-CG 4.28Å; M600-F779 HydrophobicContact CE-CB 4.17Å; M600-F779 HydrophobicContact CE-CD1 4.45Å; M600-F779 HydrophobicContact CE-CD2 4Å; M600-F779 HydrophobicContact CE-CG 3.93Å; M600-F779 HydrophobicContact SD-CB 3.99Å; M600-F779 HydrophobicContact SD-CG 4.39Å
601F98Very high95.2Very high1 Ų148.1 Ų48.10%0.00423%0.225CC..SBendtrans-122.5135.3170.9-63.4-46000110.2F579 D580 V581 I584 N590 T599 I612 A615 P776 F779F579-F601 HydrophobicContact CB-CE2 4.34Å; F579-F601 HydrophobicContact CB-CZ 4.43Å; D580-F601 VanDerWaalsContact C-CD2 3.42Å; D580-F601 WeakPolarHBondContact O-CD2 3.16Å; V581-F601 HydrophobicContact CB-CB 4.06Å; I584-F601 HydrophobicContact CD1-CD2 4.02Å; I584-F601 HydrophobicContact CG1-CD2 4.36Å; N590-F601 PolarHBondContact ND2-O 2.74Å; N590-F601 PolarHBondContact OD1-N 2.79Å; N590-F601 PolarHBondContact OD1-O 3.47Å; T599-F601 WeakPolarHBondContact CB-O 3.49Å; F601-I612 HydrophobicContact CD1-CG2 3.65Å; F601-I612 HydrophobicContact CE1-CG2 3.81Å; F601-A615 HydrophobicContact CE1-CB 3.99Å; F601-A615 HydrophobicContact CZ-CB 4.02Å; F601-P776 HydrophobicContact CZ-CB 4.42Å; F601-F779 HydrophobicContact CE2-CD1 4.17Å; F601-F779 HydrophobicContact CE2-CE1 4.13Å
602A97.5Very high95.3Very high3 Ų344 Ų443%0.02521%0.206CC..  trans-62.8135.117700000111.3L561 V606 Q611 I612L561-A602 HydrophobicContact CD1-CB 3.9Å; A602-V606 HydrophobicContact CB-CG1 3.99Å; A602-Q611 HydrophobicContact CB-CG 4.45Å; A602-I612 WeakPolarHBondContact CB-O 3.38Å; A602-I612 PolarHBondContact N-O 2.98Å
603E93.2Very high95.5Very high106 Ų10643.7 Ų43.750%0.49521%0.205SC..  trans-89.2-68.5-176.6-84177.4-156.100113.7V581 N590V581-E603 HydrophobicContact CB-CG 4.34Å; V581-E603 HydrophobicContact CG1-CG 4.43Å; V581-E603 HydrophobicContact CG2-CG 3.47Å; V581-E603 VanDerWaalsContact CG2-CG 3.47Å; N590-E603 PolarHBondContact ND2-OE1 2.8Å
604R94.1Very high95.7Very high206 Ų20642.9 Ų42.978%0.77720%0.197SC*.SBendtrans-121.5-19.4-173.1-61.5-178.3-175.8-173.9-0.1113.1K560 L561K560-R604 CarbonylContact C-O 3.6Å; K560-R604 WeakPolarHBondContact CA-O 3.41Å; L561-R604 PolarHBondContact N-O 3.29Å
605E95.8Very high96.1Very high77 Ų7738 Ų3836%0.3617%0.174SC..EExtended strand (participates in β ladder)trans-144.2139.2-172.2-174.3-173.1120.500108.9H558 A559 T607 L638H558-E605 IonicContact CD2-OE1 2.79Å; H558-E605 PolarHBondContact CD2-OE1 3.28Å; H558-E605 IonicContact NE2-OE1 3.21Å; H558-E605 PolarHBondContact NE2-OE1 3.42Å; H558-E605 IonicContact NE2-OE2 2.75Å; A559-E605 CarbonylContact O-C 3.57Å; A559-E605 VanDerWaalsContact O-CA 3.31Å; A559-E605 WeakPolarHBondContact O-CA 3.37Å; A559-E605 WeakPolarHBondContact O-CG 3.26Å; E605-T607 WeakPolarHBondContact OE1-CG2 3.43Å; E605-L638 HydrophobicContact CG-CD1 4.15Å
606V97.7Very high96.4Very high0 Ų033.6 Ų33.60%015%0.154CC..EExtended strand (participates in β ladder)trans-100131.1164.9-68.40000108.4S554 H558 A559 L561 A602 I613 Y635S554-V606 WeakPolarHBondContact OG-CG2 3.45Å; H558-V606 VanDerWaalsContact CA-O 3.31Å; H558-V606 WeakPolarHBondContact CA-O 3.32Å; H558-V606 PolarHBondContact CD2-O 3.07Å; A559-V606 HydrophobicContact CB-CG2 3.88Å; A559-V606 PolarHBondContact N-O 3.43Å; A559-V606 WeakPolarHBondContact O-CG2 3.43Å; A559-V606 PolarHBondContact O-N 2.85Å; L561-V606 HydrophobicContact CD1-CG1 4.04Å; L561-V606 HydrophobicContact CD2-CG1 3.85Å; L561-V606 HydrophobicContact CG-CG1 4.02Å; A602-V606 HydrophobicContact CB-CG1 3.99Å; V606-I613 HydrophobicContact CG1-CD1 4.2Å; V606-I613 HydrophobicContact CG1-CG1 3.94Å; V606-Y635 HydrophobicContact CG2-CD1 4.19Å; V606-Y635 HydrophobicContact CG2-CE1 4.07Å
607T95.3Very high96.6Very high22 Ų2229.7 Ų29.714%0.13514%0.137CC..  trans-106-9.2-171.958.40000113.2G557 E605 Q611 N878G557-T607 CarbonylContact O-C 3.51Å; E605-T607 WeakPolarHBondContact OE1-CG2 3.43Å; T607-Q611 PolarHBondContact OG1-OE1 3.4Å; T607-N878 CarbonylContact O-C 3.58Å; T607-N878 WeakPolarHBondContact O-CA 3.35Å; T607-N878 VanDerWaalsContact O-CB 3.27Å; T607-N878 WeakPolarHBondContact O-CB 3.37Å; T607-N878 PolarHBondContact O-ND2 2.95Å
608F96.2Very high96.6Very high23 Ų2327.1 Ų27.110%0.10112%0.123CC..SBendtrans-155.7159.8173.862.2-86000111.9S554 K556 G557 G610 Q611 S843 P880S554-F608 WeakPolarHBondContact CB-O 3.3Å; S554-F608 PolarHBondContact OG-O 3.39Å; K556-F608 CarbonylContact O-C 3.45Å; K556-F608 VanDerWaalsContact O-C 3.3Å; G557-F608 WeakPolarHBondContact O-CA 3.42Å; G557-F608 PolarHBondContact O-N 3.14Å; G557-F608 VanDerWaalsContact O-N 3.09Å; F608-G610 PolarHBondContact O-N 3.32Å; F608-Q611 HydrophobicContact CD1-CB 3.97Å; F608-Q611 HydrophobicContact CD1-CG 4.31Å; F608-Q611 HydrophobicContact CD2-CB 4.06Å; F608-Q611 HydrophobicContact CE1-CB 3.67Å; F608-Q611 HydrophobicContact CE1-CG 3.67Å; F608-Q611 VanDerWaalsContact CE2-CA 3.47Å; F608-Q611 HydrophobicContact CE2-CB 3.77Å; F608-Q611 HydrophobicContact CE2-CG 4.48Å; F608-Q611 VanDerWaalsContact CE2-N 3.34Å; F608-Q611 HydrophobicContact CG-CB 4.17Å; F608-Q611 HydrophobicContact CZ-CB 3.57Å; F608-Q611 HydrophobicContact CZ-CG 3.78Å; F608-Q611 PolarHBondContact O-N 2.84Å; F608-S843 WeakPolarHBondContact CD1-OG 3.41Å; F608-S843 WeakPolarHBondContact CE1-OG 3.35Å; F608-P880 HydrophobicContact CD2-CB 3.94Å; F608-P880 HydrophobicContact CD2-CG 3.64Å; F608-P880 HydrophobicContact CE2-CB 4.01Å; F608-P880 HydrophobicContact CE2-CG 4.08Å; F608-P880 HydrophobicContact CG-CG 4.43Å
609F96.9Very high96.6Very high19 Ų1929.6 Ų29.68%0.08314%0.14CC..THydrogen-bonded Turntrans-69125.2172177.2-86.4000109.8K556 V808 G1200 I1201 I1202 R1205K556-F609 WeakPolarHBondContact O-CA 3.47Å; K556-F609 PolarHBondContact O-N 2.72Å; F609-V808 HydrophobicContact CD1-CB 4.15Å; F609-V808 HydrophobicContact CD1-CG1 4.22Å; F609-V808 HydrophobicContact CE1-CB 4.06Å; F609-V808 HydrophobicContact CE1-CG1 3.88Å; F609-V808 HydrophobicContact CE1-CG2 4.32Å; F609-G1200 VanDerWaalsContact CB-O 3.26Å; F609-G1200 WeakPolarHBondContact CB-O 2.82Å; F609-I1201 HydrophobicContact CD2-CG1 4.29Å; F609-I1201 HydrophobicContact CD2-CG2 4.38Å; F609-I1201 HydrophobicContact CE2-CG2 4.38Å; F609-I1202 HydrophobicContact CD1-CB 4.48Å; F609-R1205 VanDerWaalsContact CE1-NH2 3.26Å; F609-R1205 VanDerWaalsContact CZ-NH1 3.32Å
610G96.3Very high96.4Very high1 Ų130.8 Ų30.81%0.0115%0.145CC..THydrogen-bonded Turntrans94.63.5-174.600000115S554 F608 M809S554-G610 PolarHBondContact O-N 3.36Å; F608-G610 PolarHBondContact O-N 3.32Å; G610-M809 WeakPolarHBondContact O-CG 3.15Å
611Q97.8Very high96.1Very high18 Ų1833.5 Ų33.58%0.08416%0.163CC..  trans-66.8138.9173.2-171.2172.51.200111.3L553 S554 A602 T607 F608 I613L553-Q611 CarbonylContact C-O 3.5Å; L553-Q611 WeakPolarHBondContact CA-O 3.3Å; S554-Q611 PolarHBondContact N-O 2.98Å; A602-Q611 HydrophobicContact CB-CG 4.45Å; T607-Q611 PolarHBondContact OG1-OE1 3.4Å; F608-Q611 HydrophobicContact CD1-CB 3.97Å; F608-Q611 HydrophobicContact CD1-CG 4.31Å; F608-Q611 HydrophobicContact CD2-CB 4.06Å; F608-Q611 HydrophobicContact CE1-CB 3.67Å; F608-Q611 HydrophobicContact CE1-CG 3.67Å; F608-Q611 VanDerWaalsContact CE2-CA 3.47Å; F608-Q611 HydrophobicContact CE2-CB 3.77Å; F608-Q611 HydrophobicContact CE2-CG 4.48Å; F608-Q611 VanDerWaalsContact CE2-N 3.34Å; F608-Q611 HydrophobicContact CG-CB 4.17Å; F608-Q611 HydrophobicContact CZ-CB 3.57Å; F608-Q611 HydrophobicContact CZ-CG 3.78Å; F608-Q611 PolarHBondContact O-N 2.84Å; Q611-I613 PolarHBondContact O-N 2.87Å
612I98.3Very high95.6Very high15 Ų1536.6 Ų36.68%0.07718%0.178CC..EExtended strand (participates in β ladder)trans-70122.7-179.9-48.6173.5000110F551 L553 F601 A602 P776 M809F551-I612 HydrophobicContact CD1-CD1 4.09Å; F551-I612 HydrophobicContact CD1-CG1 4.26Å; F551-I612 HydrophobicContact CD1-CG2 3.62Å; F551-I612 HydrophobicContact CE1-CD1 3.88Å; F551-I612 HydrophobicContact CE1-CG2 4.2Å; F551-I612 HydrophobicContact CG-CG2 4.4Å; F551-I612 HydrophobicContact CZ-CD1 4.31Å; L553-I612 HydrophobicContact CD2-CG1 4.16Å; F601-I612 HydrophobicContact CD1-CG2 3.65Å; F601-I612 HydrophobicContact CE1-CG2 3.81Å; A602-I612 WeakPolarHBondContact CB-O 3.38Å; A602-I612 PolarHBondContact N-O 2.98Å; I612-P776 HydrophobicContact CD1-CG 4.43Å; I612-M809 HydrophobicContact CD1-CE 3.72Å; I612-M809 HydrophobicContact CG1-CE 3.73Å
613I98.5Very high95.3Very high4 Ų437.9 Ų37.92%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-95.7-44.2173.2-62.6171.6000109.8V552 L561 V564 V606 Q611 V633 Y635V552-I613 HydrophobicContact CG1-CB 4.42Å; V552-I613 WeakPolarHBondContact O-CB 3.36Å; V552-I613 PolarHBondContact O-N 3.2Å; L561-I613 HydrophobicContact CD1-CG1 4.46Å; L561-I613 HydrophobicContact CD1-CG2 4.27Å; L561-I613 HydrophobicContact CD2-CD1 3.88Å; L561-I613 HydrophobicContact CD2-CG1 4.3Å; V564-I613 HydrophobicContact CG1-CG2 4.31Å; V564-I613 HydrophobicContact CG2-CG2 3.82Å; V606-I613 HydrophobicContact CG1-CD1 4.2Å; V606-I613 HydrophobicContact CG1-CG1 3.94Å; Q611-I613 PolarHBondContact O-N 2.87Å; I613-V633 HydrophobicContact CD1-CG1 4.06Å; I613-V633 HydrophobicContact CD1-CG2 4.2Å; I613-Y635 HydrophobicContact CD1-CE1 4.24Å; I613-Y635 WeakPolarHBondContact CD1-OH 3.38Å
614G97.6Very high95.3Very high0 Ų032.9 Ų32.90%016%0.16CC..EExtended strand (participates in β ladder)trans-162.1-172.6177.500000111.5V552 F579V552-G614 PolarHBondContact N-O 3.35Å; V552-G614 PolarHBondContact O-N 2.94Å; F579-G614 CarbonylContact O-C 3.58Å; F579-G614 WeakPolarHBondContact O-CA 3.35Å
615A97.8Very high95.2Very high1 Ų124.1 Ų24.11%0.00813%0.127CC..EExtended strand (participates in β ladder)trans-141138-179.900000111.9L549 S550 F551 Y578 F579 F601L549-A615 HydrophobicContact CD1-CB 4.05Å; L549-A615 HydrophobicContact CD2-CB 3.98Å; L549-A615 HydrophobicContact CG-CB 3.98Å; S550-A615 CarbonylContact O-C 3.05Å; S550-A615 WeakPolarHBondContact O-CA 3.17Å; F551-A615 HydrophobicContact CD1-CB 4.24Å; Y578-A615 CarbonylContact C-O 3.52Å; Y578-A615 WeakPolarHBondContact CA-O 3.33Å; Y578-A615 WeakPolarHBondContact CD2-O 3.36Å; F579-A615 PolarHBondContact N-O 3.12Å; F579-A615 PolarHBondContact O-N 3.44Å; F601-A615 HydrophobicContact CE1-CB 3.99Å; F601-A615 HydrophobicContact CZ-CB 4.02Å
616I97.5Very high94.8Very high0 Ų023 Ų230%012%0.12CC..EExtended strand (participates in β ladder)trans-94.4136.3167.7-66.9-70.8000108.9L549 S550 V552 A569 V575 Y578 A624 A627 V631L549-I616 CarbonylContact C-O 3.59Å; L549-I616 WeakPolarHBondContact CA-O 3.29Å; S550-I616 PolarHBondContact N-O 2.89Å; S550-I616 PolarHBondContact O-N 2.88Å; V552-I616 HydrophobicContact CG2-CG1 4.45Å; A569-I616 HydrophobicContact CB-CD1 4.07Å; V575-I616 HydrophobicContact CG1-CG2 4.12Å; V575-I616 HydrophobicContact CG2-CG2 4.43Å; Y578-I616 HydrophobicContact CD2-CD1 3.65Å; Y578-I616 HydrophobicContact CD2-CG1 4.2Å; Y578-I616 HydrophobicContact CG-CD1 4.13Å; I616-A624 HydrophobicContact CG2-CB 4.39Å; I616-A627 HydrophobicContact CG1-CB 4.41Å; I616-A627 HydrophobicContact CG2-CB 3.86Å; I616-V631 HydrophobicContact CD1-CG2 4.25Å; I616-V631 HydrophobicContact CG1-CG2 4.45Å
617V97Very high94.7Very high0 Ų023 Ų230%012%0.12CC..EExtended strand (participates in β ladder)trans-114.8127.9171.9-175.20000108.6L547 H548 L549 V576 A577 F579 A780L547-V617 HydrophobicContact CB-CG1 3.64Å; L547-V617 HydrophobicContact CD1-CG1 3.67Å; L547-V617 HydrophobicContact CG-CG1 4.27Å; H548-V617 CarbonylContact O-C 2.92Å; H548-V617 WeakPolarHBondContact O-CA 3.31Å; L549-V617 HydrophobicContact CD1-CG2 4.49Å; V576-V617 HydrophobicContact CB-CG1 4.5Å; V576-V617 PolarHBondContact N-O 3.02Å; A577-V617 PolarHBondContact N-O 3.46Å; A577-V617 PolarHBondContact O-N 3.24Å; F579-V617 HydrophobicContact CD2-CG2 3.98Å; F579-V617 HydrophobicContact CE2-CG2 3.99Å; V617-A780 HydrophobicContact CG2-CB 3.85Å
618A95.5Very high94.6Very high0 Ų022.5 Ų22.50%012%0.117CC..EExtended strand (participates in β ladder)trans-139.2172.3179.900000112.2L547 H548 G574 D620 I623 A624L547-A618 WeakPolarHBondContact CA-O 3.44Å; H548-A618 PolarHBondContact N-O 3.42Å; H548-A618 PolarHBondContact O-N 3.43Å; G574-A618 CarbonylContact O-C 3.34Å; G574-A618 WeakPolarHBondContact O-CA 2.82Å; G574-A618 VanDerWaalsContact O-CB 3.3Å; G574-A618 WeakPolarHBondContact O-CB 3.33Å; A618-D620 VanDerWaalsContact C-N 3.31Å; A618-I623 HydrophobicContact CB-CB 4.17Å; A618-I623 HydrophobicContact CB-CG2 3.81Å; A618-A624 HydrophobicContact CB-CB 3.78Å
619T94.2Very high94.4Very high82 Ų8223.3 Ų23.350%0.50313%0.125SC..SBendtrans-77.3-16176.354.30000113.8L547 G574 V576L547-T619 HydrophobicContact CD2-CG2 4.2Å; G574-T619 PolarHBondContact O-N 3.37Å; G574-T619 PolarHBondContact O-OG1 3.26Å; V576-T619 HydrophobicContact CG2-CG2 4.25Å
620D91.9Very high94.2Very high65 Ų6526 Ų2635%0.34814%0.139SC..SBendtrans-139.5142-177174.3-86.2000110.3A618 E622 I623 A624A618-D620 VanDerWaalsContact C-N 3.31Å; D620-E622 PolarHBondContact O-N 2.59Å; D620-E622 WeakPolarHBondContact OD1-CA 3.44Å; D620-E622 VanDerWaalsContact OD1-CB 3.31Å; D620-E622 WeakPolarHBondContact OD1-CB 3.31Å; D620-E622 PolarHBondContact OD1-N 2.9Å; D620-I623 HydrophobicContact CB-CB 4.16Å; D620-I623 HydrophobicContact CB-CD1 3.86Å; D620-I623 HydrophobicContact CB-CG1 3.93Å; D620-I623 PolarHBondContact O-N 2.93Å; D620-I623 PolarHBondContact OD1-N 2.87Å; D620-I623 VanDerWaalsContact OD1-N 3.1Å; D620-A624 PolarHBondContact O-N 3.07Å
621P91.1Very high94.2Very high60 Ų6026.1 Ų26.139%0.3914%0.14SC..Hα-helixtrans-65.6-34.1-176.725-33.7000113.7H548 R625H548-P621 HydrophobicContact CB-CB 4.25Å; P621-R625 WeakPolarHBondContact O-CB 3.35Å; P621-R625 PolarHBondContact O-N 3.44Å
622E87.8Confident94.2Very high67 Ų6731.4 Ų31.431%0.31316%0.164SC..Hα-helixtrans-74.2-33.9177.8-63.9-59.6145.700111.5R250 D620 R625 R626R250-E622 IonicContact CZ-OE1 3.63Å; R250-E622 VanDerWaalsContact NH1-CD 3.26Å; R250-E622 IonicContact NH1-OE1 3.41Å; R250-E622 PolarHBondContact NH1-OE1 3.29Å; R250-E622 IonicContact NH1-OE2 2.71Å; R250-E622 PolarHBondContact NH1-OE2 2.93Å; R250-E622 VanDerWaalsContact NH1-OE2 3.09Å; R250-E622 IonicContact NH2-OE1 2.83Å; R250-E622 PolarHBondContact NH2-OE1 2.81Å; D620-E622 PolarHBondContact O-N 2.59Å; D620-E622 WeakPolarHBondContact OD1-CA 3.44Å; D620-E622 VanDerWaalsContact OD1-CB 3.31Å; D620-E622 WeakPolarHBondContact OD1-CB 3.31Å; D620-E622 PolarHBondContact OD1-N 2.9Å; E622-R625 IonicContact OE2-CZ 3.66Å; E622-R625 VanDerWaalsContact OE2-CZ 3.25Å; E622-R625 IonicContact OE2-NE 3.85Å; E622-R625 PolarHBondContact OE2-NE 2.59Å; E622-R625 IonicContact OE2-NH2 2.74Å; E622-R625 PolarHBondContact OE2-NH2 3.03Å; E622-R626 WeakPolarHBondContact O-CB 3.2Å; E622-R626 WeakPolarHBondContact O-CG 3.44Å; E622-R626 PolarHBondContact O-N 3.19Å
623I91.2Very high94.2Very high29 Ų2932 Ų3215%0.14917%0.169CC..Hα-helixtrans-62.8-50.7171-64179.5000109.9Q572 D573 V575 A618 D620 R625 R626 A627Q572-I623 HydrophobicContact CG-CG2 4.4Å; D573-I623 WeakPolarHBondContact O-CG2 3.29Å; V575-I623 HydrophobicContact CG2-CG2 3.88Å; A618-I623 HydrophobicContact CB-CB 4.17Å; A618-I623 HydrophobicContact CB-CG2 3.81Å; D620-I623 HydrophobicContact CB-CB 4.16Å; D620-I623 HydrophobicContact CB-CD1 3.86Å; D620-I623 HydrophobicContact CB-CG1 3.93Å; D620-I623 PolarHBondContact O-N 2.93Å; D620-I623 PolarHBondContact OD1-N 2.87Å; D620-I623 VanDerWaalsContact OD1-N 3.1Å; I623-R625 VanDerWaalsContact C-N 3.28Å; I623-R625 PolarHBondContact O-N 3.41Å; I623-R626 PolarHBondContact O-N 2.82Å; I623-A627 WeakPolarHBondContact O-CB 3.49Å; I623-A627 PolarHBondContact O-N 3.49Å
624A93.8Very high94.2Very high1 Ų135.1 Ų35.11%0.00819%0.188CC..Hα-helixtrans-55.3-44.5178.400000111.9S550 I616 A618 D620 S628S550-A624 WeakPolarHBondContact CB-O 3.48Å; I616-A624 HydrophobicContact CG2-CB 4.39Å; A618-A624 HydrophobicContact CB-CB 3.78Å; D620-A624 PolarHBondContact O-N 3.07Å; A624-S628 WeakPolarHBondContact O-CB 3.44Å; A624-S628 PolarHBondContact O-N 3.03Å; A624-S628 PolarHBondContact O-OG 3.28Å
625R90.9Very high94.2Very high23 Ų2337.1 Ų37.19%0.08720%0.196CC..Hα-helixtrans-68.2-39.8-179.8-176.4-17770.884.73.6113.4R250 Y253 P621 E622 I623 S628 S629R250-R625 PolarHBondContact O-NH1 2.99Å; Y253-R625 HydrophobicContact CE1-CG 3.9Å; P621-R625 WeakPolarHBondContact O-CB 3.35Å; P621-R625 PolarHBondContact O-N 3.44Å; E622-R625 IonicContact OE2-CZ 3.66Å; E622-R625 VanDerWaalsContact OE2-CZ 3.25Å; E622-R625 IonicContact OE2-NE 3.85Å; E622-R625 PolarHBondContact OE2-NE 2.59Å; E622-R625 IonicContact OE2-NH2 2.74Å; E622-R625 PolarHBondContact OE2-NH2 3.03Å; I623-R625 VanDerWaalsContact C-N 3.28Å; I623-R625 PolarHBondContact O-N 3.41Å; R625-S628 PolarHBondContact O-OG 2.76Å; R625-S629 PolarHBondContact O-N 2.88Å
626R88.8Confident94.2Very high54 Ų5440.9 Ų40.920%0.20421%0.214CC..Hα-helixtrans-66.8-48.6175.9-75.8-168.9-65.3163.20.8110.4H213 D214 E622 I623 S628 S629 M630H213-R626 PolarHBondContact NE2-NH2 3.33Å; D214-R626 IonicContact OD2-CZ 2.85Å; D214-R626 IonicContact OD2-NH1 3.78Å; D214-R626 PolarHBondContact OD2-NH1 2.91Å; E622-R626 WeakPolarHBondContact O-CB 3.2Å; E622-R626 WeakPolarHBondContact O-CG 3.44Å; E622-R626 PolarHBondContact O-N 3.19Å; I623-R626 PolarHBondContact O-N 2.82Å; R626-S628 VanDerWaalsContact C-N 3.32Å; R626-S628 PolarHBondContact O-N 2.84Å; R626-S629 WeakPolarHBondContact O-CB 3.48Å; R626-S629 PolarHBondContact O-N 2.91Å; R626-S629 VanDerWaalsContact O-N 3.07Å; R626-S629 PolarHBondContact O-OG 2.85Å; R626-M630 PolarHBondContact O-N 2.59Å
627A93.5Very high94Very high0 Ų046.8 Ų46.80%024%0.241CC..Hα-helixtrans-60.5-39178.600000112.1A569 V575 I616 I623 S629 M630A569-A627 HydrophobicContact CB-CB 4.24Å; A569-A627 VanDerWaalsContact CB-O 3.24Å; A569-A627 WeakPolarHBondContact CB-O 3.36Å; V575-A627 HydrophobicContact CG2-CB 3.51Å; I616-A627 HydrophobicContact CG1-CB 4.41Å; I616-A627 HydrophobicContact CG2-CB 3.86Å; I623-A627 WeakPolarHBondContact O-CB 3.49Å; I623-A627 PolarHBondContact O-N 3.49Å; A627-S629 PolarHBondContact O-N 3.04Å; A627-M630 WeakPolarHBondContact O-CB 3.32Å; A627-M630 PolarHBondContact O-N 2.9Å
628S94.8Very high93.8Very high11 Ų1148.7 Ų48.78%0.07725%0.251CS..Hα-helixtrans-63.7-28.6176.967.50000113.2S550 F551 A624 R625 R626 M630S550-S628 PolarHBondContact OG-OG 3.07Å; S550-S628 VanDerWaalsContact OG-OG 3.06Å; F551-S628 WeakPolarHBondContact O-CB 3.38Å; A624-S628 WeakPolarHBondContact O-CB 3.44Å; A624-S628 PolarHBondContact O-N 3.03Å; A624-S628 PolarHBondContact O-OG 3.28Å; R625-S628 PolarHBondContact O-OG 2.76Å; R626-S628 VanDerWaalsContact C-N 3.32Å; R626-S628 PolarHBondContact O-N 2.84Å; S628-M630 VanDerWaalsContact C-N 3.33Å
629S90.8Very high93.3Very high39 Ų3952.1 Ų52.127%0.27327%0.273SS..Hα-helixtrans-74.9-20.6174.878.50000114.2R625 R626 A627R625-S629 PolarHBondContact O-N 2.88Å; R626-S629 WeakPolarHBondContact O-CB 3.48Å; R626-S629 PolarHBondContact O-N 2.91Å; R626-S629 VanDerWaalsContact O-N 3.07Å; R626-S629 PolarHBondContact O-OG 2.85Å; A627-S629 PolarHBondContact O-N 3.04Å
630M93.9Very high92.9Very high75 Ų7549.8 Ų49.837%0.36926%0.26SS..Hα-helixtrans-82.6-13.8179.3-64.2171.163.700113.1D568 A569 Q572 R626 A627 S628 E632D568-M630 HydrophobicContact CB-CE 3.99Å; A569-M630 HydrophobicContact CB-CB 4.12Å; Q572-M630 PolarHBondContact OE1-SD 3.13Å; R626-M630 PolarHBondContact O-N 2.59Å; A627-M630 WeakPolarHBondContact O-CB 3.32Å; A627-M630 PolarHBondContact O-N 2.9Å; S628-M630 VanDerWaalsContact C-N 3.33Å; M630-E632 PolarHBondContact O-N 3.45Å
631V96.7Very high92.5Very high4 Ų448.9 Ų48.92%0.02426%0.255CS..  trans-68.7120.3178.3-179.30000109.8V552 V564 D565 A566 A569 I616 V633V552-V631 HydrophobicContact CG1-CB 4.02Å; V552-V631 HydrophobicContact CG1-CG1 3.9Å; V552-V631 HydrophobicContact CG2-CB 3.88Å; V552-V631 HydrophobicContact CG2-CG1 4.17Å; V552-V631 HydrophobicContact CG2-CG2 3.69Å; V564-V631 HydrophobicContact CG1-CG1 3.76Å; D565-V631 WeakPolarHBondContact O-CA 3.49Å; A566-V631 HydrophobicContact CB-CG1 4.24Å; A566-V631 HydrophobicContact CB-CG2 3.97Å; A569-V631 HydrophobicContact CB-CG2 3.83Å; I616-V631 HydrophobicContact CD1-CG2 4.25Å; I616-V631 HydrophobicContact CG1-CG2 4.45Å; V631-V633 HydrophobicContact CG1-CG2 4.45Å
632E97.3Very high92.1Very high129 Ų12947.5 Ų47.560%0.60325%0.245SC*.EExtended strand (participates in β ladder)trans-85.4131.3178.2-66.2-158.415600110.6V564 D565 M630V564-E632 WeakPolarHBondContact CA-O 3.31Å; D565-E632 HydrophobicContact CB-CB 4.48Å; D565-E632 PolarHBondContact N-O 2.73Å; D565-E632 PolarHBondContact O-N 3.5Å; M630-E632 PolarHBondContact O-N 3.45Å
633V97.6Very high91.4Very high28 Ų2846.9 Ų46.917%0.1725%0.246CC..EExtended strand (participates in β ladder)trans-127.7124.6178.9-175.30000109.6V552 L561 V564 I613 V631 Y635V552-V633 HydrophobicContact CG1-CG2 4.22Å; L561-V633 HydrophobicContact CD2-CG1 3.78Å; V564-V633 HydrophobicContact CG1-CG2 4.22Å; V564-V633 HydrophobicContact CG2-CG1 4.19Å; V564-V633 HydrophobicContact CG2-CG2 4.44Å; I613-V633 HydrophobicContact CD1-CG1 4.06Å; I613-V633 HydrophobicContact CD1-CG2 4.2Å; V631-V633 HydrophobicContact CG1-CG2 4.45Å; V633-Y635 HydrophobicContact CB-CD2 4.48Å; V633-Y635 HydrophobicContact CB-CE2 3.66Å; V633-Y635 HydrophobicContact CG1-CD1 4.18Å; V633-Y635 HydrophobicContact CG1-CD2 4.12Å; V633-Y635 HydrophobicContact CG1-CE1 3.62Å; V633-Y635 HydrophobicContact CG1-CE2 3.53Å; V633-Y635 HydrophobicContact CG1-CG 4.41Å; V633-Y635 WeakPolarHBondContact CG1-OH 3.37Å; V633-Y635 WeakPolarHBondContact O-CD2 3.38Å; V633-Y635 WeakPolarHBondContact O-CE2 3.45Å
634T98.1Very high90.3Very high70 Ų7045.9 Ų45.943%0.42924%0.241SC..EExtended strand (participates in β ladder)trans-99.3128176.1-540000110.1L562 N563L562-T634 HydrophobicContact CB-CG2 4.15Å; L562-T634 HydrophobicContact CD1-CG2 4.11Å; L562-T634 PolarHBondContact N-O 2.82Å; N563-T634 PolarHBondContact O-N 3.47Å
635Y97.9Very high88.8Confident41 Ų4147.3 Ų47.316%0.16125%0.25CC..EExtended strand (participates in β ladder)trans-118.8148.3-174.2-58.5-89.2000112.2K555 K556 A559 K560 L561 V606 I613 V633K555-Y635 HydrophobicContact CB-CE2 4.46Å; K555-Y635 PolarHBondContact N-OH 3.23Å; K555-Y635 VanDerWaalsContact N-OH 3.17Å; K556-Y635 HydrophobicContact CB-CD1 4.3Å; K556-Y635 HydrophobicContact CB-CE1 4.46Å; K556-Y635 HydrophobicContact CG-CD1 3.78Å; K556-Y635 HydrophobicContact CG-CD2 3.97Å; K556-Y635 HydrophobicContact CG-CE1 4.1Å; K556-Y635 HydrophobicContact CG-CE2 4.31Å; K556-Y635 HydrophobicContact CG-CG 3.69Å; A559-Y635 HydrophobicContact CB-CD1 3.88Å; A559-Y635 HydrophobicContact CB-CG 4.37Å; K560-Y635 WeakPolarHBondContact O-CA 3.19Å; L561-Y635 HydrophobicContact CD2-CD1 4.06Å; L561-Y635 HydrophobicContact CD2-CE1 3.8Å; V606-Y635 HydrophobicContact CG2-CD1 4.19Å; V606-Y635 HydrophobicContact CG2-CE1 4.07Å; I613-Y635 HydrophobicContact CD1-CE1 4.24Å; I613-Y635 WeakPolarHBondContact CD1-OH 3.38Å; V633-Y635 HydrophobicContact CB-CD2 4.48Å; V633-Y635 HydrophobicContact CB-CE2 3.66Å; V633-Y635 HydrophobicContact CG1-CD1 4.18Å; V633-Y635 HydrophobicContact CG1-CD2 4.12Å; V633-Y635 HydrophobicContact CG1-CE1 3.62Å; V633-Y635 HydrophobicContact CG1-CE2 3.53Å; V633-Y635 HydrophobicContact CG1-CG 4.41Å; V633-Y635 WeakPolarHBondContact CG1-OH 3.37Å; V633-Y635 WeakPolarHBondContact O-CD2 3.38Å; V633-Y635 WeakPolarHBondContact O-CE2 3.45Å
636E97.5Very high87.2Confident81 Ų8148.5 Ų48.538%0.37926%0.259SS..EExtended strand (participates in β ladder)trans-108.9107.9158.1-173.7-166.1137.700107.9A559 K560 L562A559-E636 CarbonylContact C-O 3.55Å; A559-E636 WeakPolarHBondContact CA-O 3.44Å; A559-E636 VanDerWaalsContact CB-O 3.31Å; A559-E636 WeakPolarHBondContact CB-O 3.43Å; K560-E636 HydrophobicContact CB-CB 4.18Å; K560-E636 PolarHBondContact N-O 3.35Å; K560-E636 VanDerWaalsContact NZ-CD 3.34Å; K560-E636 IonicContact NZ-OE1 2.88Å; K560-E636 PolarHBondContact NZ-OE1 3.2Å; K560-E636 IonicContact NZ-OE2 3.28Å; K560-E636 PolarHBondContact NZ-OE2 2.9Å; K560-E636 PolarHBondContact O-N 3.4Å; L562-E636 HydrophobicContact CD1-CB 4.13Å; L562-E636 HydrophobicContact CD2-CB 4.21Å; L562-E636 HydrophobicContact CG-CB 4.21Å
637E94.3Very high86.1Confident123 Ų12345.9 Ų45.958%0.57525%0.25SC*.EExtended strand (participates in β ladder)trans-64.8138.7-176.8-73.5-172-150.100112.5K556K556-E637 HydrophobicContact CD-CG 4.01Å; K556-E637 VanDerWaalsContact CE-OE1 3.29Å; K556-E637 WeakPolarHBondContact CE-OE1 3.48Å; K556-E637 HydrophobicContact CG-CG 4.47Å; K556-E637 IonicContact NZ-OE1 3.43Å; K556-E637 PolarHBondContact NZ-OE1 2.62Å
638L91.7Very high84.4Confident41 Ų4145.9 Ų45.922%0.21525%0.25CC..  trans-116.3161.2177.8-65.5178.1000110.7H558 K560 E605 C640H558-L638 HydrophobicContact CB-CB 4.37Å; H558-L638 WeakPolarHBondContact NE2-CD1 3.43Å; H558-L638 PolarHBondContact O-N 3.05Å; K560-L638 HydrophobicContact CG-CD1 3.9Å; K560-L638 HydrophobicContact CG-CD2 4.42Å; K560-L638 HydrophobicContact CG-CG 4.31Å; E605-L638 HydrophobicContact CG-CD1 4.15Å; L638-C640 PolarHBondContact O-N 3.03Å
639P85.5Confident82.9Confident71 Ų7150.3 Ų50.346%0.46127%0.268SS..  trans-60.5124.9179.4-24.936.6000112.3H558 H1316H558-P639 PolarHBondContact ND1-O 3.33Å; P639-H1316 VanDerWaalsContact CB-NE2 3.33Å; P639-H1316 WeakPolarHBondContact CB-NE2 3.49Å; P639-H1316 WeakPolarHBondContact CG-NE2 2.76Å
640C85Confident81.7Confident34 Ų3449.8 Ų49.823%0.2326%0.262CS..  trans-103131.5-174.1-167.80000111.5H558 L638 N878 S1199H558-C640 HydrophobicContact CB-CB 4.25Å; L638-C640 PolarHBondContact O-N 3.03Å; C640-N878 WeakPolarHBondContact SG-CB 3.29Å; C640-S1199 PolarHBondContact SG-O 3.28Å; C640-S1199 VanDerWaalsContact SG-O 3.35Å
641I84.6Confident80.2Confident45 Ų4547.8 Ų47.823%0.23125%0.252CS..  trans-113.3116.9176.5-58.3176000108.9Q647 T877 N878I641-Q647 HydrophobicContact CG2-CG 4.47Å; I641-T877 HydrophobicContact CG2-CG2 4.49Å; I641-T877 CarbonylContact O-C 3.53Å; I641-T877 WeakPolarHBondContact O-CA 3.4Å; I641-T877 WeakPolarHBondContact O-CB 3.42Å; I641-N878 PolarHBondContact N-OD1 3.01Å; I641-N878 PolarHBondContact O-N 3.27Å
642V82.2Confident78.5Confident32 Ų3253.1 Ų53.119%0.19428%0.275CS..  trans-119.4-5.3-173-59.40000115.1L879V642-L879 HydrophobicContact CB-CD1 4.5Å; V642-L879 HydrophobicContact CB-CD2 4.29Å; V642-L879 HydrophobicContact CB-CG 4.47Å; V642-L879 HydrophobicContact CG1-CD2 4.08Å
643T73Confident76.6Confident53 Ų5353.8 Ų53.833%0.32527%0.272SS..  trans-141141.2-172.7-175.70000114.5V645 V646 Q647T643-V645 HydrophobicContact CG2-CB 4.45Å; T643-V645 PolarHBondContact O-N 3.21Å; T643-V645 PolarHBondContact OG1-N 3.23Å; T643-V646 HydrophobicContact CG2-CB 4.2Å; T643-V646 HydrophobicContact CG2-CG2 3.62Å; T643-V646 PolarHBondContact O-N 3.25Å; T643-Q647 PolarHBondContact O-OE1 2.86Å; T643-Q647 VanDerWaalsContact O-OE1 3.07Å
644T67.9Low74.8Confident9 Ų954 Ų546%0.05527%0.271CS..Hα-helixtrans-65.4-23174.7530000113.5V646 Q647 A648 N840 C875T644-V646 VanDerWaalsContact C-N 3.33Å; T644-V646 PolarHBondContact O-N 2.71Å; T644-Q647 VanDerWaalsContact CA-OE1 3.24Å; T644-Q647 PolarHBondContact O-N 3.08Å; T644-A648 WeakPolarHBondContact O-CB 3.37Å; T644-A648 PolarHBondContact O-N 3.07Å; T644-N840 HydrophobicContact CG2-CB 3.58Å; T644-C875 HydrophobicContact CG2-CB 3.88Å
645V62.4Low72.7Confident30 Ų3053.4 Ų53.418%0.18228%0.279CS..Hα-helixtrans-63.7-41179.9176.70000111.1T643 Q647 K649 K701T643-V645 HydrophobicContact CG2-CB 4.45Å; T643-V645 PolarHBondContact O-N 3.21Å; T643-V645 PolarHBondContact OG1-N 3.23Å; V645-Q647 VanDerWaalsContact C-N 3.31Å; V645-Q647 PolarHBondContact O-N 2.99Å; V645-K649 HydrophobicContact CG1-CD 4.12Å; V645-K649 HydrophobicContact CG1-CG 4.4Å; V645-K649 VanDerWaalsContact O-CB 3.29Å; V645-K649 WeakPolarHBondContact O-CB 3.44Å; V645-K649 VanDerWaalsContact O-CG 3.31Å; V645-K649 WeakPolarHBondContact O-CG 3.46Å; V645-K649 PolarHBondContact O-N 2.91Å; V645-K701 VanDerWaalsContact CG2-CE 3.49Å
646V58.1Low70.4Confident48 Ų4859.1 Ų59.129%0.29130%0.304SS..Hα-helixtrans-61.8-45.5177.6169.90000109.4T643 T644 K649 L650T643-V646 HydrophobicContact CG2-CB 4.2Å; T643-V646 HydrophobicContact CG2-CG2 3.62Å; T643-V646 PolarHBondContact O-N 3.25Å; T644-V646 VanDerWaalsContact C-N 3.33Å; T644-V646 PolarHBondContact O-N 2.71Å; V646-K649 PolarHBondContact O-N 2.99Å; V646-L650 HydrophobicContact CG1-CD1 3.86Å; V646-L650 HydrophobicContact CG1-CG 4.4Å; V646-L650 WeakPolarHBondContact O-CB 3.28Å; V646-L650 VanDerWaalsContact O-CG 3.25Å; V646-L650 WeakPolarHBondContact O-CG 3.36Å; V646-L650 PolarHBondContact O-N 3.4Å
647Q64.7Low67.8Low0 Ų059.4 Ų59.40%031%0.307CS..Hα-helixtrans-66.1-44.9-179.3-69.5155.5-50.500112.5I641 T643 T644 V645 K649 L650 L651 S672 F673 R876I641-Q647 HydrophobicContact CG2-CG 4.47Å; T643-Q647 PolarHBondContact O-OE1 2.86Å; T643-Q647 VanDerWaalsContact O-OE1 3.07Å; T644-Q647 VanDerWaalsContact CA-OE1 3.24Å; T644-Q647 PolarHBondContact O-N 3.08Å; V645-Q647 VanDerWaalsContact C-N 3.31Å; V645-Q647 PolarHBondContact O-N 2.99Å; Q647-K649 VanDerWaalsContact C-N 3.33Å; Q647-K649 PolarHBondContact O-N 3.09Å; Q647-L650 PolarHBondContact O-N 2.66Å; Q647-L651 PolarHBondContact O-N 3.27Å; Q647-S672 PolarHBondContact NE2-O 3.32Å; Q647-F673 HydrophobicContact CB-CE1 4.14Å; Q647-F673 HydrophobicContact CB-CZ 3.75Å; Q647-F673 HydrophobicContact CG-CZ 4.45Å; Q647-R876 PolarHBondContact NE2-O 2.87Å
648A57.3Low65.4Low0 Ų061.5 Ų61.50%032%0.322CS..Hα-helixtrans-65.8-34.3175.600000112.5T644 F652 L817 Y838T644-A648 WeakPolarHBondContact O-CB 3.37Å; T644-A648 PolarHBondContact O-N 3.07Å; A648-F652 WeakPolarHBondContact O-CB 3.46Å; A648-F652 PolarHBondContact O-N 3.5Å; A648-L817 HydrophobicContact CB-CD2 3.63Å; A648-Y838 HydrophobicContact CB-CD1 4.31Å; A648-Y838 HydrophobicContact CB-CD2 4.36Å; A648-Y838 HydrophobicContact CB-CE1 4.37Å; A648-Y838 HydrophobicContact CB-CE2 4.44Å; A648-Y838 HydrophobicContact CB-CG 4.31Å
649K64.6Low63Low104 Ų10467.7 Ų67.745%0.45235%0.347SS..Hα-helixtrans-70.6-41.7173.4-79.7-178.3177.6-178.30111.9V645 V646 Q647 F652 R653V645-K649 HydrophobicContact CG1-CD 4.12Å; V645-K649 HydrophobicContact CG1-CG 4.4Å; V645-K649 VanDerWaalsContact O-CB 3.29Å; V645-K649 WeakPolarHBondContact O-CB 3.44Å; V645-K649 VanDerWaalsContact O-CG 3.31Å; V645-K649 WeakPolarHBondContact O-CG 3.46Å; V645-K649 PolarHBondContact O-N 2.91Å; V646-K649 PolarHBondContact O-N 2.99Å; Q647-K649 VanDerWaalsContact C-N 3.33Å; Q647-K649 PolarHBondContact O-N 3.09Å; K649-F652 PolarHBondContact O-N 2.72Å; K649-R653 WeakPolarHBondContact O-CB 3.45Å; K649-R653 PolarHBondContact O-N 3.41Å
650L64.3Low61.1Low28 Ų2874.5 Ų74.515%0.14737%0.369CS..Hα-helixtrans-56.6-53.2174.4-75.6164.5000109.5V646 Q647 F652 R653 F654 L669V646-L650 HydrophobicContact CG1-CD1 3.86Å; V646-L650 HydrophobicContact CG1-CG 4.4Å; V646-L650 WeakPolarHBondContact O-CB 3.28Å; V646-L650 VanDerWaalsContact O-CG 3.25Å; V646-L650 WeakPolarHBondContact O-CG 3.36Å; V646-L650 PolarHBondContact O-N 3.4Å; Q647-L650 PolarHBondContact O-N 2.66Å; L650-F652 VanDerWaalsContact C-N 3.33Å; L650-F652 PolarHBondContact O-N 3.4Å; L650-R653 PolarHBondContact O-N 3.16Å; L650-F654 HydrophobicContact CB-CD2 4.19Å; L650-F654 HydrophobicContact CB-CE2 3.96Å; L650-F654 HydrophobicContact CD2-CE2 3.54Å; L650-F654 HydrophobicContact CD2-CZ 4.03Å; L650-F654 HydrophobicContact CG-CE2 4.36Å; L650-F654 WeakPolarHBondContact O-CD2 3.44Å; L650-F654 WeakPolarHBondContact O-CG 3.4Å; L650-F654 PolarHBondContact O-N 3.39Å; L650-L669 HydrophobicContact CB-CD1 3.91Å
651L62.5Low59.4Low32 Ų3275.4 Ų75.417%0.16837%0.372CS..Hα-helixtrans-55.3-45.2175.9-81.2170.9000113Q647 F654 G655 L669 F673 Y838 K873Q647-L651 PolarHBondContact O-N 3.27Å; L651-F654 PolarHBondContact O-N 3.2Å; L651-G655 PolarHBondContact O-N 3.24Å; L651-L669 HydrophobicContact CD2-CD2 3.9Å; L651-F673 HydrophobicContact CD1-CE1 3.91Å; L651-F673 HydrophobicContact CD1-CE2 3.99Å; L651-F673 HydrophobicContact CD1-CZ 3.32Å; L651-F673 HydrophobicContact CD2-CE2 4.43Å; L651-F673 HydrophobicContact CG-CE2 4.04Å; L651-F673 HydrophobicContact CG-CZ 3.78Å; L651-Y838 HydrophobicContact CD1-CD1 4.41Å; L651-Y838 HydrophobicContact CD1-CE1 3.63Å; L651-K873 HydrophobicContact CD1-CD 3.9Å
652F62.6Low57.8Low116 Ų11677 Ų7751%0.50938%0.383SS..Hα-helixtrans-64.4-44179.2-175.4-95.1000112.6A648 K649 L650 K656A648-F652 WeakPolarHBondContact O-CB 3.46Å; A648-F652 PolarHBondContact O-N 3.5Å; K649-F652 PolarHBondContact O-N 2.72Å; L650-F652 VanDerWaalsContact C-N 3.33Å; L650-F652 PolarHBondContact O-N 3.4Å; F652-K656 HydrophobicContact CE1-CD 4.08Å; F652-K656 HydrophobicContact CZ-CD 4.23Å; F652-K656 PolarHBondContact O-N 2.91Å
653R57.6Low56.6Low143 Ų14384.3 Ų84.354%0.5441%0.413SS..Hα-helixtrans-61.9-45.9178.1-107.7-175.7167.6170.7-3.9111.5K649 L650 M657K649-R653 WeakPolarHBondContact O-CB 3.45Å; K649-R653 PolarHBondContact O-N 3.41Å; L650-R653 PolarHBondContact O-N 3.16Å; R653-M657 PolarHBondContact O-N 3.03Å
654F58.2Low55.6Low32 Ų3285.2 Ų85.214%0.1443%0.426CS..Hα-helixtrans-76.7-32.7-177.4-61.9-53.8000112.7L650 L651 K656 M657 L661 Q665 L669L650-F654 HydrophobicContact CB-CD2 4.19Å; L650-F654 HydrophobicContact CB-CE2 3.96Å; L650-F654 HydrophobicContact CD2-CE2 3.54Å; L650-F654 HydrophobicContact CD2-CZ 4.03Å; L650-F654 HydrophobicContact CG-CE2 4.36Å; L650-F654 WeakPolarHBondContact O-CD2 3.44Å; L650-F654 WeakPolarHBondContact O-CG 3.4Å; L650-F654 PolarHBondContact O-N 3.39Å; L651-F654 PolarHBondContact O-N 3.2Å; F654-K656 VanDerWaalsContact C-N 3.29Å; F654-K656 PolarHBondContact O-N 2.76Å; F654-M657 HydrophobicContact CD1-SD 4.47Å; F654-M657 CarbonylContact O-C 3.6Å; F654-M657 PolarHBondContact O-N 3.17Å; F654-M657 VanDerWaalsContact O-O 3.04Å; F654-L661 HydrophobicContact CB-CD2 3.92Å; F654-L661 HydrophobicContact CD1-CD2 3.34Å; F654-L661 HydrophobicContact CD2-CD2 4.06Å; F654-L661 HydrophobicContact CE1-CD2 3.75Å; F654-L661 HydrophobicContact CE2-CD2 4.39Å; F654-L661 HydrophobicContact CG-CD2 3.52Å; F654-L661 HydrophobicContact CZ-CD2 4.26Å; F654-Q665 HydrophobicContact CE1-CB 4.12Å; F654-Q665 HydrophobicContact CE1-CG 4.03Å; F654-Q665 HydrophobicContact CZ-CB 4.03Å; F654-Q665 HydrophobicContact CZ-CG 4.05Å; F654-L669 HydrophobicContact CD2-CD1 3.5Å; F654-L669 VanDerWaalsContact CD2-CD1 3.5Å; F654-L669 HydrophobicContact CE2-CD1 3.78Å
655G54.5Low54.6Low58 Ų5887.9 Ų87.960%0.59844%0.438SS*.Hα-helixtrans-64.7-29.4172.600000113.7L651L651-G655 PolarHBondContact O-N 3.24Å
656K50Low54Low162 Ų16289.6 Ų89.670%0.70445%0.446SS*.Hα-helixtrans-75.3-22.8170.8-90.5-167.6173.1-173.70113.5F652 F654 N658F652-K656 HydrophobicContact CE1-CD 4.08Å; F652-K656 HydrophobicContact CZ-CD 4.23Å; F652-K656 PolarHBondContact O-N 2.91Å; F654-K656 VanDerWaalsContact C-N 3.29Å; F654-K656 PolarHBondContact O-N 2.76Å; K656-N658 PolarHBondContact O-N 3.22Å
657M43.8Very low53.6Low86 Ų8689.2 Ų89.242%0.42445%0.448SS..  trans-84.393172.4-74.2177.835.900108.6R653 F654 K659R653-M657 PolarHBondContact O-N 3.03Å; F654-M657 HydrophobicContact CD1-SD 4.47Å; F654-M657 CarbonylContact O-C 3.6Å; F654-M657 PolarHBondContact O-N 3.17Å; F654-M657 VanDerWaalsContact O-O 3.04Å; M657-K659 PolarHBondContact O-N 3.06Å
658N42.9Very low53.3Low167 Ų16794.1 Ų94.189%0.89347%0.473SS*.  trans-66.244.6165.2-88.5-16000112.2K656K656-N658 PolarHBondContact O-N 3.22Å
659K40.5Very low53.5Low172 Ų17295.3 Ų95.375%0.74848%0.479SS*.SBendtrans-130.6138.9177.3-79.8-174.4174.6-179.70108.7M657 L661M657-K659 PolarHBondContact O-N 3.06Å; K659-L661 PolarHBondContact O-N 2.8Å; K659-L661 VanDerWaalsContact O-N 3.09Å
660K46Very low53.2Low213 Ų21396.4 Ų96.493%0.92649%0.486SS*.  trans-42.1117.2171.3-113178.8175.5179.50109.4
661L49.2Very low53.4Low54 Ų54102.6 Ų102.628%0.28351%0.512SS..  trans-52.4140170.9-82.9152.1000109F654 K659 Q665 D666F654-L661 HydrophobicContact CB-CD2 3.92Å; F654-L661 HydrophobicContact CD1-CD2 3.34Å; F654-L661 HydrophobicContact CD2-CD2 4.06Å; F654-L661 HydrophobicContact CE1-CD2 3.75Å; F654-L661 HydrophobicContact CE2-CD2 4.39Å; F654-L661 HydrophobicContact CG-CD2 3.52Å; F654-L661 HydrophobicContact CZ-CD2 4.26Å; K659-L661 PolarHBondContact O-N 2.8Å; K659-L661 VanDerWaalsContact O-N 3.09Å; L661-Q665 HydrophobicContact CD2-CB 3.63Å; L661-D666 HydrophobicContact CB-CB 4.05Å
662T52.1Low54Low77 Ų77101.1 Ų101.147%0.47250%0.504SS..  trans-65.7149.8168.8580000109.1A664 Q665 D666T662-A664 PolarHBondContact O-N 3.35Å; T662-A664 VanDerWaalsContact O-N 3.09Å; T662-Q665 PolarHBondContact O-N 3.01Å; T662-Q665 WeakPolarHBondContact OG1-CB 3.17Å; T662-Q665 WeakPolarHBondContact OG1-CG 3.23Å; T662-Q665 PolarHBondContact OG1-OE1 3.15Å; T662-D666 PolarHBondContact O-N 2.78Å
663F55.6Low55.1Low186 Ų18697.3 Ų97.382%0.81649%0.487SS*.Hα-helixtrans-52.7-37.1-177-164.1-92.1000112.7A667F663-A667 VanDerWaalsContact O-CB 3.27Å; F663-A667 WeakPolarHBondContact O-CB 3.44Å; F663-A667 PolarHBondContact O-N 3.12Å
664A52.8Low56.6Low72 Ų7291.4 Ų91.460%0.59547%0.466SS*.Hα-helixtrans-67.1-40176.100000113.3T662 L668T662-A664 PolarHBondContact O-N 3.35Å; T662-A664 VanDerWaalsContact O-N 3.09Å; A664-L668 WeakPolarHBondContact O-CB 3.07Å; A664-L668 PolarHBondContact O-N 2.56Å
665Q47Very low57.8Low66 Ų6695.8 Ų95.831%0.30849%0.491SS..Hα-helixtrans-71.4-38.8178.1-70.5166.2-28.500111.5F654 L661 T662 L668 L669F654-Q665 HydrophobicContact CE1-CB 4.12Å; F654-Q665 HydrophobicContact CE1-CG 4.03Å; F654-Q665 HydrophobicContact CZ-CB 4.03Å; F654-Q665 HydrophobicContact CZ-CG 4.05Å; L661-Q665 HydrophobicContact CD2-CB 3.63Å; T662-Q665 PolarHBondContact O-N 3.01Å; T662-Q665 WeakPolarHBondContact OG1-CB 3.17Å; T662-Q665 WeakPolarHBondContact OG1-CG 3.23Å; T662-Q665 PolarHBondContact OG1-OE1 3.15Å; Q665-L668 PolarHBondContact O-N 3.43Å; Q665-L669 PolarHBondContact O-N 3.26Å
666D49.6Very low58.9Low66 Ų6694.2 Ų94.235%0.35347%0.474SS..Hα-helixtrans-65.6-43.4176.5-153.834.4000110.8L661 T662 L668 L669 H670L661-D666 HydrophobicContact CB-CB 4.05Å; T662-D666 PolarHBondContact O-N 2.78Å; D666-L668 PolarHBondContact O-N 3.33Å; D666-L669 PolarHBondContact O-N 2.84Å; D666-H670 WeakPolarHBondContact O-CB 3.29Å; D666-H670 PolarHBondContact O-N 3.14Å
667A50.3Low60.5Low39 Ų3991.2 Ų91.232%0.32246%0.462SS..Hα-helixtrans-62.1-39.7174.400000112.9F663 K671F663-A667 VanDerWaalsContact O-CB 3.27Å; F663-A667 WeakPolarHBondContact O-CB 3.44Å; F663-A667 PolarHBondContact O-N 3.12Å; A667-K671 WeakPolarHBondContact O-CB 3.39Å; A667-K671 WeakPolarHBondContact O-CG 3.39Å; A667-K671 PolarHBondContact O-N 3.15Å
668L58.2Low62.8Low103 Ų10389.4 Ų89.454%0.53945%0.451SS..Hα-helixtrans-65.8-40.3176.9-142.2102.3000111.2A664 Q665 D666 S672A664-L668 WeakPolarHBondContact O-CB 3.07Å; A664-L668 PolarHBondContact O-N 2.56Å; Q665-L668 PolarHBondContact O-N 3.43Å; D666-L668 PolarHBondContact O-N 3.33Å; L668-S672 WeakPolarHBondContact O-CB 3.36Å; L668-S672 PolarHBondContact O-N 3.16Å; L668-S672 PolarHBondContact O-OG 2.94Å
669L60.7Low65.2Low25 Ų2582.8 Ų82.813%0.13142%0.415CS..Hα-helixtrans-65.8-49.8175.8-148.589.9000110.9L650 L651 F654 Q665 D666 K671 S672 F673L650-L669 HydrophobicContact CB-CD1 3.91Å; L651-L669 HydrophobicContact CD2-CD2 3.9Å; F654-L669 HydrophobicContact CD2-CD1 3.5Å; F654-L669 VanDerWaalsContact CD2-CD1 3.5Å; F654-L669 HydrophobicContact CE2-CD1 3.78Å; Q665-L669 PolarHBondContact O-N 3.26Å; D666-L669 PolarHBondContact O-N 2.84Å; L669-K671 VanDerWaalsContact C-N 3.33Å; L669-K671 PolarHBondContact O-N 3.46Å; L669-S672 WeakPolarHBondContact O-CB 3.46Å; L669-S672 PolarHBondContact O-N 3.24Å; L669-F673 HydrophobicContact CG-CE2 4.16Å; L669-F673 VanDerWaalsContact O-CD2 3.27Å; L669-F673 WeakPolarHBondContact O-CD2 3.06Å
670H58.9Low67.7Low127 Ų12774.6 Ų74.659%0.58838%0.38SS*.Hα-helixtrans-60.9-39-179.1-106.6-73.9000112.6D666 S672D666-H670 WeakPolarHBondContact O-CB 3.29Å; D666-H670 PolarHBondContact O-N 3.14Å; H670-S672 PolarHBondContact O-N 3.22Å
671K67.9Low69.9Low159 Ų15967 Ų6769%0.69135%0.347SS*.Hα-helixtrans-71.1-15.3176.3-72.8-176.2177.7-169.80113.8A667 L669A667-K671 WeakPolarHBondContact O-CB 3.39Å; A667-K671 WeakPolarHBondContact O-CG 3.39Å; A667-K671 PolarHBondContact O-N 3.15Å; L669-K671 VanDerWaalsContact C-N 3.33Å; L669-K671 PolarHBondContact O-N 3.46Å
672S75.7Confident71.9Confident1 Ų165.9 Ų65.91%0.00734%0.343CS..THydrogen-bonded Turntrans-91.2-8-176.2-63.30000114Q647 L668 L669 H670 R876Q647-S672 PolarHBondContact NE2-O 3.32Å; L668-S672 WeakPolarHBondContact O-CB 3.36Å; L668-S672 PolarHBondContact O-N 3.16Å; L668-S672 PolarHBondContact O-OG 2.94Å; L669-S672 WeakPolarHBondContact O-CB 3.46Å; L669-S672 PolarHBondContact O-N 3.24Å; H670-S672 PolarHBondContact O-N 3.22Å; S672-R876 PolarHBondContact O-N 3Å
673F85.3Confident73.7Confident35 Ų3566.1 Ų66.115%0.15434%0.341CS..EExtended strand (participates in β ladder)trans-126.7148.3178.5-62.5-83000110Q647 L651 L669 K873 M874 C875Q647-F673 HydrophobicContact CB-CE1 4.14Å; Q647-F673 HydrophobicContact CB-CZ 3.75Å; Q647-F673 HydrophobicContact CG-CZ 4.45Å; L651-F673 HydrophobicContact CD1-CE1 3.91Å; L651-F673 HydrophobicContact CD1-CE2 3.99Å; L651-F673 HydrophobicContact CD1-CZ 3.32Å; L651-F673 HydrophobicContact CD2-CE2 4.43Å; L651-F673 HydrophobicContact CG-CE2 4.04Å; L651-F673 HydrophobicContact CG-CZ 3.78Å; L669-F673 HydrophobicContact CG-CE2 4.16Å; L669-F673 VanDerWaalsContact O-CD2 3.27Å; L669-F673 WeakPolarHBondContact O-CD2 3.06Å; F673-K873 HydrophobicContact CD1-CB 4.41Å; F673-K873 HydrophobicContact CE1-CB 4.48Å; F673-M874 WeakPolarHBondContact CA-O 3.37Å; F673-M874 WeakPolarHBondContact CD1-O 3.37Å; F673-C875 HydrophobicContact CD1-CB 4.5Å; F673-C875 HydrophobicContact CE1-CB 4.5Å; F673-C875 VanDerWaalsContact CE1-SG 3.59Å
674F89Confident75.5Confident20 Ų2058.8 Ų58.89%0.08831%0.308CS..EExtended strand (participates in β ladder)trans-80.3151.4162-74.1-59.5000109.8G676 C841 S844 Y845 M874 R876F674-G676 PolarHBondContact O-N 3.32Å; F674-C841 HydrophobicContact CD2-CB 3.78Å; F674-C841 HydrophobicContact CE2-CB 3.73Å; F674-S844 VanDerWaalsContact CE2-O 3.3Å; F674-S844 WeakPolarHBondContact CE2-O 3.35Å; F674-Y845 HydrophobicContact CB-CD1 4.23Å; F674-Y845 HydrophobicContact CB-CE1 3.58Å; F674-Y845 HydrophobicContact CB-CE2 4.37Å; F674-Y845 HydrophobicContact CD1-CD1 4.45Å; F674-Y845 AromaticContact CD1-CD2 3.84Å; F674-Y845 HydrophobicContact CD1-CD2 3.84Å; F674-Y845 HydrophobicContact CD1-CE1 4.14Å; F674-Y845 AromaticContact CD1-CE2 3.44Å; F674-Y845 HydrophobicContact CD1-CE2 3.44Å; F674-Y845 VanDerWaalsContact CD1-CE2 3.44Å; F674-Y845 HydrophobicContact CD1-CG 4.32Å; F674-Y845 AromaticContact CD1-CZ 3.61Å; F674-Y845 HydrophobicContact CE1-CD2 4.04Å; F674-Y845 AromaticContact CE1-CE2 3.99Å; F674-Y845 HydrophobicContact CE1-CE2 3.99Å; F674-Y845 HydrophobicContact CG-CD1 4.25Å; F674-Y845 HydrophobicContact CG-CD2 4.42Å; F674-Y845 AromaticContact CG-CE1 3.98Å; F674-Y845 HydrophobicContact CG-CE1 3.98Å; F674-Y845 HydrophobicContact CG-CE2 4.13Å; F674-Y845 HydrophobicContact CG-CG 4.47Å; F674-Y845 AromaticContact CG-CZ 3.89Å; F674-M874 HydrophobicContact CB-CB 3.97Å; F674-M874 HydrophobicContact CB-CE 4.27Å; F674-M874 PolarHBondContact N-O 2.96Å; F674-R876 HydrophobicContact CD1-CB 4.45Å; F674-R876 HydrophobicContact CD2-CB 3.94Å; F674-R876 HydrophobicContact CD2-CG 4.47Å; F674-R876 HydrophobicContact CE1-CB 4.27Å; F674-R876 HydrophobicContact CE1-CG 3.95Å; F674-R876 HydrophobicContact CE2-CB 3.74Å; F674-R876 HydrophobicContact CE2-CG 3.81Å; F674-R876 HydrophobicContact CG-CB 4.29Å; F674-R876 HydrophobicContact CZ-CB 3.9Å; F674-R876 HydrophobicContact CZ-CG 3.51Å
675D84.4Confident77.3Confident124 Ų12458.9 Ų58.966%0.66330%0.298SS*.EExtended strand (participates in β ladder)trans-62.3128.6172.4-68-30.2000109.9Y845 M874D675-Y845 WeakPolarHBondContact CB-OH 3.37Å; D675-Y845 PolarHBondContact N-OH 3.19Å; D675-Y845 PolarHBondContact O-OH 3.25Å; D675-M874 WeakPolarHBondContact O-CE 3.47Å
676G77.3Confident79Confident25 Ų2561.9 Ų61.926%0.25832%0.317SS..EExtended strand (participates in β ladder)trans137.1102.4179.100000112.1F674F674-G676 PolarHBondContact O-N 3.32Å
677H83.9Confident80.8Confident98 Ų9865.9 Ų65.945%0.45433%0.333SS..EExtended strand (participates in β ladder)trans-113.3123.1165.7174.9-99.4000108.1
678Y91.6Very high82.5Confident48 Ų4864.2 Ų64.219%0.18832%0.319CS..EExtended strand (participates in β ladder)trans-118.1139-179.5-61.6-80.3000109.3V849 L852 Q853 S871 G872 M874 W1124Y678-V849 HydrophobicContact CE2-CG1 4.19Å; Y678-V849 WeakPolarHBondContact OH-CG1 3.45Å; Y678-L852 HydrophobicContact CD2-CD2 3.97Å; Y678-Q853 HydrophobicContact CD1-CG 4.28Å; Y678-Q853 HydrophobicContact CD2-CG 4.36Å; Y678-Q853 HydrophobicContact CE1-CG 4.41Å; Y678-Q853 HydrophobicContact CE2-CG 4.47Å; Y678-Q853 HydrophobicContact CG-CG 4.27Å; Y678-S871 CarbonylContact O-C 3.58Å; Y678-S871 WeakPolarHBondContact O-CA 3.39Å; Y678-G872 PolarHBondContact N-O 2.96Å; Y678-G872 PolarHBondContact O-N 3.15Å; Y678-M874 HydrophobicContact CE2-CE 4.37Å; Y678-W1124 AromaticContact CD1-CD2 3.75Å; Y678-W1124 HydrophobicContact CD1-CD2 3.75Å; Y678-W1124 AromaticContact CD1-CE2 3.96Å; Y678-W1124 AromaticContact CD1-CE3 3.87Å; Y678-W1124 HydrophobicContact CD1-CE3 3.87Å; Y678-W1124 HydrophobicContact CD1-CG 4.24Å; Y678-W1124 HydrophobicContact CD1-CH2 4.44Å; Y678-W1124 HydrophobicContact CD1-CZ2 4.33Å; Y678-W1124 HydrophobicContact CD1-CZ3 4.22Å; Y678-W1124 HydrophobicContact CE1-CD2 4.41Å; Y678-W1124 HydrophobicContact CG-CE3 4.47Å; Y678-W1124 HydrophobicContact CG-CZ3 4.42Å
679E93Very high83.6Confident28 Ų2861.3 Ų61.313%0.13130%0.304CS..EExtended strand (participates in β ladder)trans-136.9131.6-179.6-174.1174.28600108.9R869 A870 R1127E679-R869 HydrophobicContact CG-CG 4.37Å; E679-R869 IonicContact OE2-CZ 3.59Å; E679-R869 VanDerWaalsContact OE2-CZ 3.24Å; E679-R869 IonicContact OE2-NE 3.68Å; E679-R869 PolarHBondContact OE2-NE 3.01Å; E679-R869 IonicContact OE2-NH2 2.75Å; E679-R869 PolarHBondContact OE2-NH2 2.91Å; E679-A870 WeakPolarHBondContact CA-O 3.39Å; E679-R1127 IonicContact OE1-CZ 2.77Å; E679-R1127 VanDerWaalsContact OE1-CZ 3.31Å; E679-R1127 IonicContact OE1-NH1 3.43Å; E679-R1127 PolarHBondContact OE1-NH1 3.23Å; E679-R1127 VanDerWaalsContact OE1-NH1 3.14Å; E679-R1127 IonicContact OE1-NH2 2.56Å; E679-R1127 PolarHBondContact OE1-NH2 3.21Å
680L92.9Very high84.5Confident1 Ų164.6 Ų64.61%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-117.9126.6173.7173.963.1000107.7L856 F857 F868 R869 A870 P928 F929 Y1122L680-L856 HydrophobicContact CB-CB 4.38Å; L680-L856 WeakPolarHBondContact CD2-O 3.28Å; L680-F857 HydrophobicContact CD2-CD1 4.19Å; L680-F868 HydrophobicContact CD2-CE1 4.27Å; L680-F868 HydrophobicContact CG-CE1 4.43Å; L680-R869 CarbonylContact O-C 3.58Å; L680-R869 WeakPolarHBondContact O-CA 3.43Å; L680-A870 PolarHBondContact N-O 2.91Å; L680-A870 PolarHBondContact O-N 3.2Å; L680-P928 HydrophobicContact CD1-CB 4.47Å; L680-P928 HydrophobicContact CD2-CB 4.09Å; L680-P928 HydrophobicContact CG-CB 4.2Å; L680-F929 HydrophobicContact CD1-CB 3.83Å; L680-F929 HydrophobicContact CD2-CD1 4.37Å; L680-Y1122 HydrophobicContact CD1-CE2 4.18Å; L680-Y1122 WeakPolarHBondContact CD1-OH 3.41Å
681E92.4Very high85.2Confident53 Ų5361.7 Ų61.725%0.24833%0.327CS..EExtended strand (participates in β ladder)trans-140.8149.1178.967.2-178.5-168.300111.8W684 F868 R1127E681-W684 HydrophobicContact CB-CB 3.95Å; E681-F868 CarbonylContact C-O 3.58Å; E681-F868 VanDerWaalsContact CA-O 3.23Å; E681-F868 WeakPolarHBondContact CA-O 3.43Å; E681-R1127 WeakPolarHBondContact OE1-CD 3.44Å; E681-R1127 IonicContact OE1-CZ 3.28Å; E681-R1127 IonicContact OE1-NE 4Å; E681-R1127 IonicContact OE1-NH1 2.8Å; E681-R1127 PolarHBondContact OE1-NH1 3.11Å; E681-R1127 IonicContact OE2-NH1 3.25Å; E681-R1127 PolarHBondContact OE2-NH1 3.39Å; E681-R1127 VanDerWaalsContact OE2-NH1 3.08Å
682T91.1Very high85.7Confident31 Ų3155.9 Ų55.919%0.1931%0.306CS..EExtended strand (participates in β ladder)trans-138.3132.5164.6-179.20000109.1W684 F868 P928T682-W684 PolarHBondContact O-N 3.03Å; T682-F868 HydrophobicContact CG2-CB 3.78Å; T682-F868 PolarHBondContact N-O 3.47Å; T682-F868 PolarHBondContact O-N 3.42Å; T682-P928 HydrophobicContact CG2-CB 3.87Å; T682-P928 HydrophobicContact CG2-CG 4.42Å
683N91.2Very high85.9Confident81 Ų8163.1 Ų63.143%0.43334%0.34SS..SBendtrans47.728.7-178.4-56.1-20.9000114.2E866 H867N683-E866 WeakPolarHBondContact CB-O 3.35Å; N683-E866 PolarHBondContact ND2-OE1 3.33Å; N683-H867 PolarHBondContact O-ND1 3.5Å
684W91.7Very high86.2Confident33 Ų3363.4 Ų63.413%0.12534%0.341CS..  trans-83.5136.1-174.1-172.2-97.3000112.2E681 T682 D686 L689 Y833 C834 H867 R869E681-W684 HydrophobicContact CB-CB 3.95Å; T682-W684 PolarHBondContact O-N 3.03Å; W684-D686 PolarHBondContact NE1-OD1 3.45Å; W684-L689 HydrophobicContact CH2-CD1 4.46Å; W684-L689 HydrophobicContact CH2-CD2 3.94Å; W684-L689 HydrophobicContact CH2-CG 3.97Å; W684-L689 HydrophobicContact CZ2-CD1 4.25Å; W684-L689 HydrophobicContact CZ2-CG 4.14Å; W684-Y833 WeakPolarHBondContact CZ3-O 3.36Å; W684-C834 HydrophobicContact CH2-CB 3.43Å; W684-C834 VanDerWaalsContact CH2-CB 3.43Å; W684-C834 HydrophobicContact CZ2-CB 3.72Å; W684-C834 HydrophobicContact CZ3-CB 4.02Å; W684-H867 HydrophobicContact CE3-CB 4.25Å; W684-H867 HydrophobicContact CZ3-CB 4.45Å; W684-R869 HydrophobicContact CB-CB 4.37Å; W684-R869 HydrophobicContact CD2-CB 3.44Å; W684-R869 VanDerWaalsContact CD2-CB 3.44Å; W684-R869 HydrophobicContact CD2-CG 4.42Å; W684-R869 HydrophobicContact CE3-CB 3.68Å; W684-R869 HydrophobicContact CG-CB 3.74Å; W684-R869 HydrophobicContact CG-CG 4.43Å; W684-R869 HydrophobicContact CZ2-CB 4.39Å; W684-R869 HydrophobicContact CZ3-CB 4.26Å
685N90.4Very high86.4Confident73 Ų7365.7 Ų65.739%0.3936%0.364SS..  trans-14715816067.663.1000108.7Q687 C688N685-Q687 PolarHBondContact O-N 3.07Å; N685-Q687 WeakPolarHBondContact OD1-CA 3.49Å; N685-Q687 VanDerWaalsContact OD1-CB 3.27Å; N685-Q687 WeakPolarHBondContact OD1-CB 3.29Å; N685-Q687 PolarHBondContact OD1-N 3Å; N685-C688 VanDerWaalsContact O-CB 3.24Å; N685-C688 WeakPolarHBondContact O-CB 3.42Å; N685-C688 PolarHBondContact O-N 2.78Å; N685-C688 VanDerWaalsContact O-N 3.13Å; N685-C688 PolarHBondContact O-SG 3.02Å; N685-C688 PolarHBondContact OD1-N 3.18Å; N685-C688 PolarHBondContact OD1-SG 3.23Å; N685-C688 VanDerWaalsContact OD1-SG 3.33Å
686D83.8Confident86.8Confident130 Ų13060.8 Ų60.870%0.69534%0.338SS*.G310 helixtrans-67.4-18.8-175.6-69.9-23.4000113.6W684 C688W684-D686 PolarHBondContact NE1-OD1 3.45Å; D686-C688 VanDerWaalsContact C-N 3.27Å; D686-C688 PolarHBondContact O-N 3.46Å
687Q86.7Confident87.7Confident150 Ų15063.9 Ų63.970%0.70136%0.356SS*.G310 helixtrans-73.5-18.2176.5-57.3176.4-16.600112.4N685 L689 S690 A691N685-Q687 PolarHBondContact O-N 3.07Å; N685-Q687 WeakPolarHBondContact OD1-CA 3.49Å; N685-Q687 VanDerWaalsContact OD1-CB 3.27Å; N685-Q687 WeakPolarHBondContact OD1-CB 3.29Å; N685-Q687 PolarHBondContact OD1-N 3Å; Q687-L689 PolarHBondContact O-N 3.5Å; Q687-S690 PolarHBondContact O-N 3.04Å; Q687-S690 PolarHBondContact O-OG 3.35Å; Q687-A691 PolarHBondContact O-N 2.97Å
688C86.2Confident88.1Confident3 Ų360 Ų602%0.0234%0.342CS..G310 helixtrans-56.8-30.6175.6-65.30000112.7N685 D686 S690 A691 T823 S832 H867N685-C688 VanDerWaalsContact O-CB 3.24Å; N685-C688 WeakPolarHBondContact O-CB 3.42Å; N685-C688 PolarHBondContact O-N 2.78Å; N685-C688 VanDerWaalsContact O-N 3.13Å; N685-C688 PolarHBondContact O-SG 3.02Å; N685-C688 PolarHBondContact OD1-N 3.18Å; N685-C688 PolarHBondContact OD1-SG 3.23Å; N685-C688 VanDerWaalsContact OD1-SG 3.33Å; D686-C688 VanDerWaalsContact C-N 3.27Å; D686-C688 PolarHBondContact O-N 3.46Å; C688-S690 PolarHBondContact O-N 3.11Å; C688-A691 WeakPolarHBondContact O-CB 3.22Å; C688-A691 PolarHBondContact O-N 3.45Å; C688-T823 PolarHBondContact O-OG1 3.29Å; C688-S832 PolarHBondContact O-OG 3.39Å; C688-H867 HydrophobicContact CB-CB 3.96Å; C688-H867 PolarHBondContact SG-ND1 3.17Å; C688-H867 VanDerWaalsContact SG-ND1 3.4Å
689L80.9Confident88.2Confident43 Ų4360.4 Ų60.423%0.22535%0.348CS..G310 helixtrans-73-7.8177.6-69.3176.8000114W684 Q687 R821 T823W684-L689 HydrophobicContact CH2-CD1 4.46Å; W684-L689 HydrophobicContact CH2-CD2 3.94Å; W684-L689 HydrophobicContact CH2-CG 3.97Å; W684-L689 HydrophobicContact CZ2-CD1 4.25Å; W684-L689 HydrophobicContact CZ2-CG 4.14Å; Q687-L689 PolarHBondContact O-N 3.5Å; L689-R821 HydrophobicContact CD2-CB 4.09Å; L689-T823 VanDerWaalsContact O-CG2 3.27Å; L689-T823 WeakPolarHBondContact O-CG2 3.26Å
690S81.3Confident88.2Confident94 Ų9459.3 Ų59.366%0.65734%0.343SS*.G310 helixtrans-114.12.8173.850.50000113.2Q687 C688 C692Q687-S690 PolarHBondContact O-N 3.04Å; Q687-S690 PolarHBondContact O-OG 3.35Å; C688-S690 PolarHBondContact O-N 3.11Å; S690-C692 PolarHBondContact O-N 3.45Å
691A72.4Confident88.3Confident66 Ų6663 Ų6355%0.54536%0.359SS..SBendtrans-81.1-9.9-16800000114.8Q687 C688Q687-A691 PolarHBondContact O-N 2.97Å; C688-A691 WeakPolarHBondContact O-CB 3.22Å; C688-A691 PolarHBondContact O-N 3.45Å
692C78.9Confident88.4Confident37 Ų3760.8 Ų60.825%0.2535%0.348CS..SBendtrans-127.7165.9-178.8-50.30000111.8S690 H694 V831S690-C692 PolarHBondContact O-N 3.45Å; C692-H694 VanDerWaalsContact C-N 3.28Å; C692-H694 PolarHBondContact O-N 2.81Å; C692-V831 VanDerWaalsContact SG-CB 3.57Å
693E79.7Confident88.4Confident153 Ų15360.2 Ų60.272%0.71535%0.349SS*.SBendtrans-61-36.4-179.1-166172.7-166.800112.5
694H91.8Very high88.5Confident40 Ų4056.7 Ų56.719%0.18533%0.331CS..EExtended strand (participates in β ladder)trans-117.3141.6-178.4-56.5-71000112.2C692 T823 F824 Q826C692-H694 VanDerWaalsContact C-N 3.28Å; C692-H694 PolarHBondContact O-N 2.81Å; H694-T823 VanDerWaalsContact O-CA 3.25Å; H694-T823 WeakPolarHBondContact O-CA 3.48Å; H694-T823 WeakPolarHBondContact O-CB 3.46Å; H694-F824 HydrophobicContact CB-CD1 4.37Å; H694-F824 HydrophobicContact CB-CD2 3.7Å; H694-F824 HydrophobicContact CB-CE1 4.01Å; H694-F824 HydrophobicContact CB-CE2 3.29Å; H694-F824 HydrophobicContact CB-CG 4.23Å; H694-F824 HydrophobicContact CB-CZ 3.48Å; H694-F824 VanDerWaalsContact CB-CZ 3.48Å; H694-F824 AromaticContact CG-CE2 3.84Å; H694-F824 PolarHBondContact O-N 3.34Å; H694-F824 VanDerWaalsContact O-N 3.15Å; H694-Q826 PolarHBondContact NE2-OE1 3.1Å
695A92.8Very high88.7Confident69 Ų6955.1 Ų55.157%0.5733%0.325SS*.EExtended strand (participates in β ladder)trans-135.5140.217300000110.2C822 T823A695-C822 VanDerWaalsContact CA-O 3.3Å; A695-C822 WeakPolarHBondContact CA-O 3.38Å; A695-T823 HydrophobicContact CB-CG2 4.09Å
696L94Very high89Confident20 Ų2051.6 Ų51.611%0.10531%0.307CS..EExtended strand (participates in β ladder)trans-134.2148.5177.5-173.3146.9000110.3Y820 R821 C822 F824 D903 H907 P1273L696-Y820 HydrophobicContact CD2-CE2 3.6Å; L696-R821 CarbonylContact O-C 3.53Å; L696-R821 VanDerWaalsContact O-CA 3.29Å; L696-R821 WeakPolarHBondContact O-CA 3.28Å; L696-C822 PolarHBondContact N-O 3.08Å; L696-C822 PolarHBondContact O-N 3.07Å; L696-F824 HydrophobicContact CB-CE1 3.8Å; L696-F824 HydrophobicContact CB-CZ 4.41Å; L696-D903 HydrophobicContact CD1-CB 4.28Å; L696-D903 HydrophobicContact CD2-CB 4.2Å; L696-H907 HydrophobicContact CD1-CB 4.19Å; L696-P1273 HydrophobicContact CD1-CG 4.26Å
697S94.4Very high89.6Confident91 Ų9145.4 Ų45.464%0.63627%0.274SS*.EExtended strand (participates in β ladder)trans-132.5142173.8-580000109.5Y820 R821S697-Y820 WeakPolarHBondContact CA-O 3.24Å; S697-R821 WeakPolarHBondContact OG-CG 3.38Å
698G93.5Very high90Very high17 Ų1738.4 Ų38.418%0.17524%0.241CC..EExtended strand (participates in β ladder)trans-158.1163.6179.700000113Y820G698-Y820 PolarHBondContact N-O 3.48Å; G698-Y820 WeakPolarHBondContact O-CD1 3.46Å; G698-Y820 PolarHBondContact O-N 3.22Å
699D92.5Very high90.4Very high56 Ų5638.2 Ų38.230%0.29924%0.24SC..EExtended strand (participates in β ladder)trans-124.3139.2177-70.7-9.3000109.1S818 R819 R1275D699-S818 WeakPolarHBondContact CA-O 3.32Å; D699-R819 WeakPolarHBondContact OD1-CB 3.13Å; D699-R819 WeakPolarHBondContact OD1-CD 3.32Å; D699-R819 WeakPolarHBondContact OD1-CG 3.22Å; D699-R819 IonicContact OD1-NE 3.09Å; D699-R819 IonicContact OD2-NE 2.97Å; D699-R819 PolarHBondContact OD2-NE 2.85Å; D699-R1275 WeakPolarHBondContact O-CD 3.33Å
700V94.4Very high90.7Very high4 Ų437.8 Ų37.82%0.02424%0.236CC..EExtended strand (participates in β ladder)trans-130.7137.3171.265.10000110.5S818 L895 A896V700-S818 PolarHBondContact N-O 2.86Å; V700-S818 PolarHBondContact O-N 3.24Å; V700-L895 HydrophobicContact CG2-CD2 4Å; V700-L895 HydrophobicContact CG2-CG 4.38Å; V700-A896 HydrophobicContact CG1-CB 4.07Å
701K93.8Very high91.4Very high80 Ų8033.4 Ų33.435%0.34821%0.205SC..EExtended strand (participates in β ladder)trans-98.2145.6168.6-77.7169.8-169.2171.80111V645 F816 L817 D1277 S1278V645-K701 VanDerWaalsContact CG2-CE 3.49Å; K701-F816 WeakPolarHBondContact CA-O 3.29Å; K701-L817 HydrophobicContact CG-CD1 3.87Å; K701-D1277 HydrophobicContact CB-CB 4.1Å; K701-D1277 PolarHBondContact N-OD1 3.05Å; K701-S1278 PolarHBondContact O-N 3.25Å
702F94.7Very high92.6Very high5 Ų531 Ų312%0.02218%0.184CC..EExtended strand (participates in β ladder)trans-122.1116.8173.2-162.6-69.6000107.9P815 F816 P891 Q892 L895 L1188 F1189F702-P815 CarbonylContact O-C 3.53Å; F702-P815 VanDerWaalsContact O-CA 3.23Å; F702-P815 WeakPolarHBondContact O-CA 3.25Å; F702-F816 HydrophobicContact CB-CB 3.94Å; F702-F816 PolarHBondContact N-O 3.45Å; F702-F816 PolarHBondContact O-N 2.99Å; F702-P891 HydrophobicContact CE2-CB 4.28Å; F702-P891 HydrophobicContact CZ-CB 4.1Å; F702-Q892 HydrophobicContact CD1-CG 3.63Å; F702-Q892 HydrophobicContact CD2-CB 4.27Å; F702-Q892 HydrophobicContact CD2-CG 3.99Å; F702-Q892 HydrophobicContact CE1-CG 3.72Å; F702-Q892 HydrophobicContact CE2-CB 4.47Å; F702-Q892 HydrophobicContact CE2-CG 4.04Å; F702-Q892 HydrophobicContact CG-CB 4.4Å; F702-Q892 HydrophobicContact CG-CG 3.82Å; F702-Q892 HydrophobicContact CZ-CG 3.94Å; F702-L895 HydrophobicContact CB-CD2 4.45Å; F702-L895 HydrophobicContact CD2-CB 3.99Å; F702-L895 HydrophobicContact CD2-CD2 3.39Å; F702-L895 HydrophobicContact CD2-CG 4.3Å; F702-L895 HydrophobicContact CE2-CB 4.21Å; F702-L895 HydrophobicContact CE2-CD2 4.01Å; F702-L895 HydrophobicContact CG-CD2 4.29Å; F702-L1188 HydrophobicContact CE1-CD1 3.66Å; F702-L1188 HydrophobicContact CE1-CD2 3.89Å; F702-L1188 HydrophobicContact CE1-CG 3.95Å; F702-L1188 HydrophobicContact CZ-CD1 4.09Å; F702-L1188 HydrophobicContact CZ-CD2 3.53Å; F702-L1188 HydrophobicContact CZ-CG 3.84Å; F702-F1189 HydrophobicContact CD2-CE1 4.41Å; F702-F1189 HydrophobicContact CE2-CD1 4.37Å; F702-F1189 AromaticContact CE2-CE1 3.48Å; F702-F1189 HydrophobicContact CE2-CE1 3.48Å; F702-F1189 VanDerWaalsContact CE2-CE1 3.48Å; F702-F1189 HydrophobicContact CE2-CZ 4.09Å; F702-F1189 AromaticContact CZ-CE1 3.85Å; F702-F1189 HydrophobicContact CZ-CE1 3.85Å; F702-F1189 HydrophobicContact CZ-CZ 4.25Å
703G92Very high93.5Very high19 Ų1929.2 Ų29.220%0.19617%0.172CC..  trans-68.6161179.500000113.7S1278G703-S1278 PolarHBondContact N-O 3.4Å
704G92.3Very high94.3Very high7 Ų722 Ų227%0.07214%0.139CC..  trans-71.3164.5168.700000111.6R813G704-R813 WeakPolarHBondContact CA-O 3.37Å
705Q96.8Very high94.6Very high0 Ų020.2 Ų20.20%013%0.13CC..BIsolated β-bridgetrans-140.1130.7177.3-160.5-179.512.800109.8T812 R813 F885 Q1184 L1188 E1192 Y1210Q705-T812 CarbonylContact O-C 3.58Å; Q705-T812 WeakPolarHBondContact O-CA 2.9Å; Q705-T812 VanDerWaalsContact O-CB 3.24Å; Q705-T812 WeakPolarHBondContact O-CB 3.48Å; Q705-R813 HydrophobicContact CB-CB 3.79Å; Q705-R813 PolarHBondContact O-N 3.09Å; Q705-F885 HydrophobicContact CB-CD2 4.36Å; Q705-F885 HydrophobicContact CB-CE2 3.75Å; Q705-F885 HydrophobicContact CB-CZ 4.08Å; Q705-F885 HydrophobicContact CG-CE2 3.74Å; Q705-F885 HydrophobicContact CG-CZ 3.63Å; Q705-F885 WeakPolarHBondContact O-CE2 3.23Å; Q705-F885 VanDerWaalsContact OE1-CE1 3.23Å; Q705-Q1184 PolarHBondContact NE2-O 3.42Å; Q705-L1188 HydrophobicContact CB-CD1 3.68Å; Q705-L1188 HydrophobicContact CG-CD1 3.93Å; Q705-E1192 WeakPolarHBondContact CG-OE2 3.35Å; Q705-E1192 VanDerWaalsContact NE2-CD 3.27Å; Q705-E1192 PolarHBondContact NE2-OE1 3.02Å; Q705-E1192 PolarHBondContact NE2-OE2 3.31Å; Q705-Y1210 WeakPolarHBondContact CG-OH 3.36Å
706E96.3Very high94.9Very high0 Ų017 Ų170%010%0.103CC..  trans-79.5133.1171.5-17062.4-14400110F708 M807 T812 F885 M1194 Y1210E706-F708 HydrophobicContact CB-CB 4.1Å; E706-F708 HydrophobicContact CG-CB 3.73Å; E706-F708 HydrophobicContact CG-CD2 4.12Å; E706-F708 HydrophobicContact CG-CG 4.35Å; E706-F708 PolarHBondContact O-N 3.46Å; E706-M807 HydrophobicContact CB-CE 4.22Å; E706-M807 HydrophobicContact CG-CE 3.82Å; E706-M807 HydrophobicContact CG-CG 3.85Å; E706-M807 HydrophobicContact CG-SD 4.4Å; E706-T812 VanDerWaalsContact OE2-CG2 3.3Å; E706-T812 WeakPolarHBondContact OE2-CG2 3.48Å; E706-F885 VanDerWaalsContact C-CE2 3.47Å; E706-F885 WeakPolarHBondContact O-CE2 3.47Å; E706-M1194 HydrophobicContact CB-SD 4.26Å; E706-Y1210 HydrophobicContact CB-CD1 4.19Å; E706-Y1210 HydrophobicContact CB-CE1 3.62Å; E706-Y1210 HydrophobicContact CB-CE2 4.17Å; E706-Y1210 PolarHBondContact N-OH 2.98Å
707H96.2Very high95.1Very high0 Ų016 Ų160%010%0.098CC..  trans-62.5-38.4179-5081.9000110.8F113 Y709 G765 A884 F885F113-H707 WeakPolarHBondContact CE1-O 3.24Å; H707-Y709 HydrophobicContact CB-CD1 3.55Å; H707-Y709 HydrophobicContact CB-CE1 3.61Å; H707-Y709 PolarHBondContact O-N 2.93Å; H707-G765 WeakPolarHBondContact CD2-CA 3.45Å; H707-G765 PolarHBondContact CD2-N 3.06Å; H707-G765 VanDerWaalsContact CE1-CA 3.48Å; H707-G765 WeakPolarHBondContact CE1-CA 3.21Å; H707-G765 WeakPolarHBondContact NE2-CA 3.45Å; H707-G765 PolarHBondContact NE2-N 3.17Å; H707-A884 PolarHBondContact NE2-O 3.25Å; H707-F885 HydrophobicContact CB-CD2 4.44Å; H707-F885 HydrophobicContact CB-CE2 4.15Å; H707-F885 AromaticContact CD2-CD2 3.26Å; H707-F885 WeakPolarHBondContact CD2-CD2 3.03Å; H707-F885 AromaticContact CD2-CE2 3.82Å; H707-F885 AromaticContact CD2-CG 3.71Å; H707-F885 AromaticContact CG-CD2 3.74Å; H707-F885 AromaticContact CG-CE2 3.91Å; H707-F885 AromaticContact NE2-CD2 3.5Å; H707-F885 AromaticContact NE2-CG 3.95Å
708F94.9Very high95.2Very high2 Ų213.4 Ų13.41%0.0098%0.077CC..  trans58.311170.3-162.2-130.7000112.5A112 F113 E706 R803 M807 P1207 Y1210 I1212A112-F708 HydrophobicContact CB-CD1 4.29Å; A112-F708 HydrophobicContact CB-CE1 3.64Å; A112-F708 HydrophobicContact CB-CZ 4.36Å; F113-F708 HydrophobicContact CD2-CD1 4.3Å; F113-F708 WeakPolarHBondContact CD2-O 3.35Å; F113-F708 HydrophobicContact CE1-CB 3.6Å; F113-F708 HydrophobicContact CE1-CD1 4.28Å; F113-F708 HydrophobicContact CE1-CG 4.24Å; F113-F708 VanDerWaalsContact CE1-O 3.3Å; F113-F708 WeakPolarHBondContact CE1-O 3.34Å; F113-F708 HydrophobicContact CE2-CB 3.56Å; F113-F708 AromaticContact CE2-CD1 2.94Å; F113-F708 HydrophobicContact CE2-CD1 2.94Å; F113-F708 HydrophobicContact CE2-CD2 4.27Å; F113-F708 AromaticContact CE2-CE1 3.55Å; F113-F708 HydrophobicContact CE2-CE1 3.55Å; F113-F708 AromaticContact CE2-CG 3.25Å; F113-F708 HydrophobicContact CE2-CG 3.25Å; F113-F708 HydrophobicContact CE2-CZ 4.43Å; F113-F708 WeakPolarHBondContact CE2-O 2.91Å; F113-F708 WeakPolarHBondContact CG-O 3.21Å; F113-F708 HydrophobicContact CZ-CB 2.93Å; F113-F708 AromaticContact CZ-CD1 2.97Å; F113-F708 HydrophobicContact CZ-CD1 2.97Å; F113-F708 HydrophobicContact CZ-CD2 4.41Å; F113-F708 HydrophobicContact CZ-CE1 4Å; F113-F708 AromaticContact CZ-CG 3.13Å; F113-F708 HydrophobicContact CZ-CG 3.13Å; F113-F708 WeakPolarHBondContact CZ-O 3.5Å; E706-F708 HydrophobicContact CB-CB 4.1Å; E706-F708 HydrophobicContact CG-CB 3.73Å; E706-F708 HydrophobicContact CG-CD2 4.12Å; E706-F708 HydrophobicContact CG-CG 4.35Å; E706-F708 PolarHBondContact O-N 3.46Å; F708-R803 HydrophobicContact CD2-CG 4.44Å; F708-R803 HydrophobicContact CE2-CG 3.71Å; F708-R803 HydrophobicContact CZ-CG 4.49Å; F708-R803 PolarHBondContact O-NH1 2.92Å; F708-R803 PolarHBondContact O-NH2 3.47Å; F708-M807 HydrophobicContact CD2-CE 4.35Å; F708-M807 HydrophobicContact CD2-CG 4.23Å; F708-M807 HydrophobicContact CD2-SD 3.73Å; F708-M807 HydrophobicContact CE2-CE 4.39Å; F708-M807 HydrophobicContact CE2-CG 4.45Å; F708-M807 HydrophobicContact CE2-SD 3.5Å; F708-M807 VanDerWaalsContact CE2-SD 3.5Å; F708-P1207 HydrophobicContact CE1-CB 4.4Å; F708-P1207 HydrophobicContact CZ-CB 3.87Å; F708-P1207 HydrophobicContact CZ-CG 4.35Å; F708-Y1210 HydrophobicContact CB-CE1 4.47Å; F708-Y1210 HydrophobicContact CD1-CD1 4.01Å; F708-Y1210 HydrophobicContact CD1-CE1 4.34Å; F708-Y1210 HydrophobicContact CD2-CD1 4.45Å; F708-Y1210 HydrophobicContact CE1-CD1 4.43Å; F708-Y1210 HydrophobicContact CG-CD1 4.23Å; F708-Y1210 HydrophobicContact CG-CE1 4.43Å; F708-I1212 HydrophobicContact CD1-CG1 4.4Å; F708-I1212 HydrophobicContact CD1-CG2 3.61Å; F708-I1212 HydrophobicContact CE1-CG2 4.27Å
709Y94.9Very high95.2Very high0 Ų013.2 Ų13.20%07%0.072CC..  trans-30.7136.6174.739.2-108.8000114.7H707 E711 N713 G761 A762 K766 R803 D806 T810H707-Y709 HydrophobicContact CB-CD1 3.55Å; H707-Y709 HydrophobicContact CB-CE1 3.61Å; H707-Y709 PolarHBondContact O-N 2.93Å; Y709-E711 WeakPolarHBondContact CD2-O 3.05Å; Y709-E711 PolarHBondContact O-N 3.44Å; Y709-N713 VanDerWaalsContact CZ-ND2 3.31Å; Y709-N713 PolarHBondContact OH-ND2 3.24Å; Y709-G761 VanDerWaalsContact CB-O 3.29Å; Y709-G761 WeakPolarHBondContact CB-O 3.47Å; Y709-A762 WeakPolarHBondContact CD1-O 3.48Å; Y709-K766 HydrophobicContact CD1-CG 4.23Å; Y709-K766 HydrophobicContact CE1-CG 4.04Å; Y709-R803 VanDerWaalsContact O-CZ 3.23Å; Y709-R803 PolarHBondContact O-NH1 3.42Å; Y709-R803 PolarHBondContact O-NH2 3.41Å; Y709-D806 WeakPolarHBondContact CE2-OD1 2.96Å; Y709-D806 VanDerWaalsContact CZ-OD1 3.28Å; Y709-D806 PolarHBondContact OH-OD1 2.87Å; Y709-T810 PolarHBondContact OH-OG1 3.06Å
710F88.3Confident95.1Very high33 Ų3311.4 Ų11.415%0.1457%0.067CC..SBendtrans-68-44.9-164.9-147-80.7000113.5Y76 C77 L110 A112 F113 T712 G760 R803Y76-F710 HydrophobicContact CD1-CB 4.14Å; Y76-F710 AromaticContact CD1-CD1 3.16Å; Y76-F710 HydrophobicContact CD1-CD1 3.16Å; Y76-F710 AromaticContact CD1-CE1 3.86Å; Y76-F710 HydrophobicContact CD1-CE1 3.86Å; Y76-F710 HydrophobicContact CD1-CG 4.01Å; Y76-F710 AromaticContact CE1-CD1 3.61Å; Y76-F710 HydrophobicContact CE1-CD1 3.61Å; Y76-F710 HydrophobicContact CE1-CE1 4.17Å; Y76-F710 HydrophobicContact CG-CB 4.31Å; Y76-F710 HydrophobicContact CG-CD1 4.12Å; C77-F710 HydrophobicContact CB-CD2 4.34Å; C77-F710 HydrophobicContact CB-CE2 4.34Å; L110-F710 HydrophobicContact CB-CE2 4.49Å; L110-F710 HydrophobicContact CB-CZ 3.87Å; L110-F710 HydrophobicContact CD2-CE1 4.23Å; L110-F710 HydrophobicContact CD2-CZ 3.76Å; L110-F710 HydrophobicContact CG-CZ 4.46Å; L110-F710 WeakPolarHBondContact O-CE2 2.61Å; L110-F710 VanDerWaalsContact O-CZ 3.27Å; L110-F710 WeakPolarHBondContact O-CZ 3.3Å; A112-F710 HydrophobicContact CB-CE2 4.12Å; F113-F710 HydrophobicContact CB-CB 4.18Å; F113-F710 HydrophobicContact CB-CD2 3.81Å; F113-F710 HydrophobicContact CB-CG 4.5Å; F113-F710 HydrophobicContact CD2-CB 4.34Å; F113-F710 AromaticContact CD2-CD2 3.69Å; F113-F710 HydrophobicContact CD2-CD2 3.69Å; F113-F710 HydrophobicContact CD2-CE2 4.47Å; F113-F710 HydrophobicContact CD2-CG 4.43Å; F113-F710 HydrophobicContact CG-CB 4.34Å; F113-F710 HydrophobicContact CG-CD2 4.13Å; F710-T712 PolarHBondContact O-N 3.38Å; F710-G760 PolarHBondContact N-O 3.28Å; F710-G760 VanDerWaalsContact N-O 3.12Å; F710-R803 PolarHBondContact O-NH2 3.38Å; F710-R803 VanDerWaalsContact O-NH2 3.08Å
711E95.4Very high94.7Very high2 Ų216.5 Ų16.51%0.0099%0.094CC..SBendtrans-73.1113.6164.9-176.2-166.3-15200107.5Y76 C538 Y709 S730 I759 G760 K766Y76-E711 HydrophobicContact CD2-CB 3.66Å; Y76-E711 HydrophobicContact CD2-CG 4.29Å; Y76-E711 HydrophobicContact CE2-CB 3.5Å; Y76-E711 VanDerWaalsContact CE2-CB 3.5Å; Y76-E711 HydrophobicContact CE2-CG 3.74Å; Y76-E711 HydrophobicContact CG-CB 4.38Å; C538-E711 WeakPolarHBondContact CB-OE1 2.73Å; C538-E711 PolarHBondContact N-OE1 3.19Å; C538-E711 VanDerWaalsContact N-OE1 3.15Å; Y709-E711 WeakPolarHBondContact CD2-O 3.05Å; Y709-E711 PolarHBondContact O-N 3.44Å; E711-S730 PolarHBondContact OE2-OG 3.16Å; E711-I759 VanDerWaalsContact OE2-CA 3.32Å; E711-I759 WeakPolarHBondContact OE2-CA 3.09Å; E711-G760 PolarHBondContact N-O 3.37Å; E711-G760 VanDerWaalsContact N-O 3.13Å; E711-G760 PolarHBondContact OE2-N 3.41Å; E711-K766 WeakPolarHBondContact O-CE 3.5Å; E711-K766 PolarHBondContact O-NZ 3.44Å; E711-K766 IonicContact OE2-NZ 3.25Å; E711-K766 PolarHBondContact OE2-NZ 3.35Å
712T96.3Very high94.4Very high16 Ų1619.9 Ų19.910%0.09811%0.111CC..  trans-61.4174.3172.443.80000111.6F710 A714 L801 D806F710-T712 PolarHBondContact O-N 3.38Å; T712-A714 PolarHBondContact O-N 2.98Å; T712-L801 WeakPolarHBondContact CB-O 3.45Å; T712-L801 WeakPolarHBondContact CG2-O 3.4Å; T712-L801 PolarHBondContact OG1-O 2.72Å; T712-D806 WeakPolarHBondContact CB-OD2 3.19Å; T712-D806 HydrophobicContact CG2-CB 4.04Å
713N97.9Very high94Very high0 Ų022.9 Ų22.90%013%0.128CC..  trans-62.4126.1173.5-75-87.6000110Y709 S770 V773 L801 D806 T810Y709-N713 VanDerWaalsContact CZ-ND2 3.31Å; Y709-N713 PolarHBondContact OH-ND2 3.24Å; N713-S770 VanDerWaalsContact OD1-CA 3.31Å; N713-S770 WeakPolarHBondContact OD1-CA 3.38Å; N713-V773 HydrophobicContact CB-CG1 3.94Å; N713-V773 HydrophobicContact CB-CG2 3.98Å; N713-L801 HydrophobicContact CB-CD1 3.99Å; N713-L801 HydrophobicContact CB-CG 4.37Å; N713-L801 PolarHBondContact O-N 2.62Å; N713-D806 PolarHBondContact N-OD2 3.28Å; N713-D806 PolarHBondContact ND2-OD2 2.7Å; N713-T810 VanDerWaalsContact ND2-CG2 3.29Å; N713-T810 WeakPolarHBondContact ND2-CG2 3.43Å
714A97.7Very high94.1Very high2 Ų227 Ų272%0.01714%0.142CC..EExtended strand (participates in β ladder)trans-138.7142.3-178.200000110.4C538 T712 S730 C799 C800C538-A714 HydrophobicContact CB-CB 3.88Å; T712-A714 PolarHBondContact O-N 2.98Å; A714-S730 PolarHBondContact O-N 2.89Å; A714-C799 CarbonylContact C-O 3.3Å; A714-C799 VanDerWaalsContact CA-O 3.27Å; A714-C799 WeakPolarHBondContact CA-O 3.3Å; A714-C800 HydrophobicContact CB-CB 4.42Å
715C98.2Very high94.3Very high1 Ų126.8 Ų26.81%0.00714%0.139CC..EExtended strand (participates in β ladder)trans-148.6142.9178.7-174.90000110.5I728 V773 R798 C799C715-I728 CarbonylContact C-O 3.03Å; C715-I728 WeakPolarHBondContact CA-O 3.09Å; C715-V773 HydrophobicContact CB-CB 4.49Å; C715-V773 HydrophobicContact CB-CG2 3.98Å; C715-R798 WeakPolarHBondContact O-CA 3.48Å; C715-C799 PolarHBondContact N-O 2.82Å; C715-C799 PolarHBondContact O-N 3.13Å
716I98.3Very high94.4Very high1 Ų130.5 Ų30.51%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-123.2122.5167.3-58.1175.1000106.6C538 L541 I543 I718 I727 I728 V797 R798C538-I716 WeakPolarHBondContact O-CD1 3.35Å; L541-I716 HydrophobicContact CB-CD1 4.09Å; L541-I716 HydrophobicContact CD1-CD1 4.47Å; I543-I716 HydrophobicContact CG1-CD1 4.05Å; I543-I716 HydrophobicContact CG1-CG2 4.01Å; I716-I718 HydrophobicContact CG2-CD1 4.22Å; I716-I718 HydrophobicContact CG2-CG1 3.88Å; I716-I727 WeakPolarHBondContact O-CA 2.99Å; I716-I728 HydrophobicContact CB-CB 4.36Å; I716-I728 PolarHBondContact N-O 3.13Å; I716-I728 PolarHBondContact O-N 2.74Å; I716-V797 WeakPolarHBondContact CA-O 3.36Å; I716-R798 HydrophobicContact CG1-CB 4.41Å; I716-R798 HydrophobicContact CG1-CG 4.28Å
717A97.8Very high94.5Very high0 Ų030.5 Ų30.50%016%0.156CC..EExtended strand (participates in β ladder)trans-106.2131.1172.500000109.6M725 E726 I727 A777 A778 A781 P796 V797A717-M725 HydrophobicContact CB-SD 4.03Å; A717-E726 CarbonylContact C-O 3.54Å; A717-E726 WeakPolarHBondContact CA-O 3.18Å; A717-I727 HydrophobicContact CB-CD1 3.66Å; A717-A777 HydrophobicContact CB-CB 4.2Å; A717-A778 HydrophobicContact CB-CB 4.25Å; A717-A781 HydrophobicContact CB-CB 3.82Å; A717-P796 CarbonylContact O-C 3.31Å; A717-P796 WeakPolarHBondContact O-CA 3.3Å; A717-V797 PolarHBondContact N-O 3.12Å; A717-V797 PolarHBondContact O-N 2.83Å
718I96.1Very high94.6Very high37 Ų3731.7 Ų31.719%0.1916%0.163CC..EExtended strand (participates in β ladder)trans-126.8109.7-175.7-52.2176000107.4I543 I716 E726 I728 P796I543-I718 HydrophobicContact CD1-CD1 3.98Å; I716-I718 HydrophobicContact CG2-CD1 4.22Å; I716-I718 HydrophobicContact CG2-CG1 3.88Å; I718-E726 HydrophobicContact CB-CB 4.25Å; I718-E726 PolarHBondContact N-O 2.82Å; I718-E726 PolarHBondContact O-N 2.8Å; I718-I728 HydrophobicContact CD1-CD1 4.22Å; I718-P796 HydrophobicContact CG1-CB 4.33Å; I718-P796 HydrophobicContact CG2-CG 4.33Å
719P93.9Very high94.7Very high12 Ų1231.7 Ų31.78%0.07816%0.163CC..EExtended strand (participates in β ladder)trans-74.5138.4178.131.1-31.6000110.2M725 G794P719-M725 HydrophobicContact CB-CE 4.21Å; P719-G794 WeakPolarHBondContact CG-O 3.46Å
720G90.7Very high94.9Very high19 Ų1931.8 Ų31.820%0.19616%0.163CC..  trans-117.4-175.7177.200000113.1E724 L793G720-E724 PolarHBondContact N-O 2.98Å; G720-L793 WeakPolarHBondContact O-CD2 3.45Å
721D86.7Confident95.3Very high110 Ų11030.2 Ų30.259%0.58816%0.156SC*.G310 helixtrans-65.2158.2178.6-73.8-31.4000111.2N723 E724 L793D721-N723 PolarHBondContact O-N 3.32Å; D721-E724 VanDerWaalsContact O-CB 3.23Å; D721-E724 WeakPolarHBondContact O-CB 3.29Å; D721-E724 VanDerWaalsContact O-CG 3.22Å; D721-E724 WeakPolarHBondContact O-CG 2.9Å; D721-E724 PolarHBondContact O-N 3.17Å; D721-L793 WeakPolarHBondContact OD1-CD1 3.29Å
722E86.3Confident95.5Very high152 Ų15230.4 Ų30.471%0.7116%0.157SC*.G310 helixtrans51.332176.7-56.8-163.316900115.8E724 K751E722-E724 VanDerWaalsContact C-N 3.29Å; E722-K751 PolarHBondContact O-NZ 3Å
723N87.1Confident95.5Very high67 Ų6729.7 Ų29.736%0.35815%0.153SC..G310 helixtrans70.122-176.7-40.1-25.7000113.9D721 I747 R782D721-N723 PolarHBondContact O-N 3.32Å; N723-I747 HydrophobicContact CB-CG2 4.39Å; N723-I747 WeakPolarHBondContact O-CD1 3.16Å; N723-R782 PolarHBondContact OD1-NH2 2.96Å
724E94.7Very high95.6Very high105 Ų10529.8 Ų29.849%0.49115%0.153SC..  trans-62.4149167.5-73.1178.3-178.100111.2G720 D721 E722 K751G720-E724 PolarHBondContact N-O 2.98Å; D721-E724 VanDerWaalsContact O-CB 3.23Å; D721-E724 WeakPolarHBondContact O-CB 3.29Å; D721-E724 VanDerWaalsContact O-CG 3.22Å; D721-E724 WeakPolarHBondContact O-CG 2.9Å; D721-E724 PolarHBondContact O-N 3.17Å; E722-E724 VanDerWaalsContact C-N 3.29Å; E724-K751 CarbonylContact C-O 3.59Å; E724-K751 VanDerWaalsContact CA-O 3.28Å; E724-K751 WeakPolarHBondContact CA-O 3.42Å
725M96.5Very high95.6Very high4 Ų430 Ų302%0.0216%0.155CC..EExtended strand (participates in β ladder)trans-141.1113.2176.2-175.462.96700109.2A717 P719 I727 V741 L745 K751 V752 T753 A778 A781 R782A717-M725 HydrophobicContact CB-SD 4.03Å; P719-M725 HydrophobicContact CB-CE 4.21Å; M725-I727 HydrophobicContact CG-CD1 3.62Å; M725-I727 HydrophobicContact CG-CG1 4.11Å; M725-I727 HydrophobicContact SD-CD1 4.12Å; M725-V741 HydrophobicContact CG-CG1 4.2Å; M725-L745 HydrophobicContact CB-CD1 4.42Å; M725-L745 HydrophobicContact CE-CD1 4.12Å; M725-L745 HydrophobicContact CG-CD1 4.41Å; M725-K751 PolarHBondContact N-O 2.99Å; M725-V752 HydrophobicContact CB-CG2 4.37Å; M725-V752 CarbonylContact O-C 3.53Å; M725-V752 VanDerWaalsContact O-CA 3.28Å; M725-V752 WeakPolarHBondContact O-CA 3.2Å; M725-T753 PolarHBondContact O-N 3.39Å; M725-A778 HydrophobicContact CG-CB 4.44Å; M725-A778 HydrophobicContact SD-CB 4.43Å; M725-A781 HydrophobicContact CE-CB 4.42Å; M725-R782 HydrophobicContact CE-CB 4.07Å
726E97.8Very high95.5Very high78 Ų7831.6 Ų31.636%0.36416%0.163SC..EExtended strand (participates in β ladder)trans-91130.7168.2-178.4-178.5-175.800109.5A717 I718 I728 T753A717-E726 CarbonylContact C-O 3.54Å; A717-E726 WeakPolarHBondContact CA-O 3.18Å; I718-E726 HydrophobicContact CB-CB 4.25Å; I718-E726 PolarHBondContact N-O 2.82Å; I718-E726 PolarHBondContact O-N 2.8Å; E726-I728 HydrophobicContact CG-CG1 4.5Å; E726-T753 CarbonylContact C-O 3.58Å; E726-T753 WeakPolarHBondContact CA-O 3.5Å
727I98.4Very high95.5Very high0 Ų031.6 Ų31.60%016%0.163CC..EExtended strand (participates in β ladder)trans-119119.8177.5-55.9-62.9000108.2I716 A717 M725 T737 V741 V752 T753 V754 S755 A778I716-I727 WeakPolarHBondContact O-CA 2.99Å; A717-I727 HydrophobicContact CB-CD1 3.66Å; M725-I727 HydrophobicContact CG-CD1 3.62Å; M725-I727 HydrophobicContact CG-CG1 4.11Å; M725-I727 HydrophobicContact SD-CD1 4.12Å; I727-T737 HydrophobicContact CG2-CG2 4.1Å; I727-V741 HydrophobicContact CD1-CG1 4.4Å; I727-V741 HydrophobicContact CD1-CG2 4.45Å; I727-V741 HydrophobicContact CG1-CG1 4.44Å; I727-V741 HydrophobicContact CG1-CG2 4.38Å; I727-V752 HydrophobicContact CG1-CG1 4.2Å; I727-T753 PolarHBondContact N-O 3.3Å; I727-V754 HydrophobicContact CB-CB 4.49Å; I727-V754 HydrophobicContact CB-CG1 4.35Å; I727-V754 HydrophobicContact CB-CG2 4.08Å; I727-V754 HydrophobicContact CG1-CG2 4.47Å; I727-V754 HydrophobicContact CG2-CG1 4.24Å; I727-V754 CarbonylContact O-C 3.54Å; I727-V754 VanDerWaalsContact O-CA 3.3Å; I727-V754 WeakPolarHBondContact O-CA 3.46Å; I727-S755 PolarHBondContact O-N 3.45Å; I727-A778 HydrophobicContact CD1-CB 3.88Å
728I98.4Very high95.5Very high25 Ų2532.4 Ų32.413%0.12817%0.167CC..EExtended strand (participates in β ladder)trans-105.9113.6167.7-49176.6000106.6C538 L541 C715 I716 I718 E726C538-I728 PolarHBondContact SG-O 3.21Å; L541-I728 HydrophobicContact CD1-CD1 3.89Å; L541-I728 HydrophobicContact CD1-CG2 3.68Å; C715-I728 CarbonylContact C-O 3.03Å; C715-I728 WeakPolarHBondContact CA-O 3.09Å; I716-I728 HydrophobicContact CB-CB 4.36Å; I716-I728 PolarHBondContact N-O 3.13Å; I716-I728 PolarHBondContact O-N 2.74Å; I718-I728 HydrophobicContact CD1-CD1 4.22Å; E726-I728 HydrophobicContact CG-CG1 4.5Å
729S97.6Very high95.6Very high2 Ų232.5 Ų32.51%0.01417%0.167CC..EExtended strand (participates in β ladder)trans-136145.1-171.2-178.80000112.2T731 S755 V756S729-T731 VanDerWaalsContact C-N 3.31Å; S729-T731 PolarHBondContact O-N 3.02Å; S729-S755 PolarHBondContact N-O 3.19Å; S729-V756 WeakPolarHBondContact O-CG2 3.4Å
730S98.2Very high95.7Very high1 Ų132.5 Ų32.51%0.00717%0.168CC..  trans-78.182.6165.7-169.10000109.7E711 A714 I759 K766E711-S730 PolarHBondContact OE2-OG 3.16Å; A714-S730 PolarHBondContact O-N 2.89Å; S730-I759 WeakPolarHBondContact OG-CB 3.31Å; S730-I759 VanDerWaalsContact OG-CG2 3.26Å; S730-I759 WeakPolarHBondContact OG-CG2 3.34Å; S730-K766 WeakPolarHBondContact O-CD 3.45Å; S730-K766 PolarHBondContact OG-NZ 2.94Å
731T98.4Very high96.1Very high0 Ų031.7 Ų31.70%016%0.159CC..  trans-135.7145.1-176.3-176.50000113.1S729 N733 P734 V754 V756 K766 S770S729-T731 VanDerWaalsContact C-N 3.31Å; S729-T731 PolarHBondContact O-N 3.02Å; T731-N733 VanDerWaalsContact C-N 3.33Å; T731-N733 PolarHBondContact OG1-N 3.26Å; T731-P734 HydrophobicContact CG2-CG 4.39Å; T731-V754 HydrophobicContact CG2-CG1 4.45Å; T731-V756 HydrophobicContact CG2-CG2 3.65Å; T731-K766 PolarHBondContact OG1-O 3.27Å; T731-S770 WeakPolarHBondContact CB-OG 3.49Å; T731-S770 PolarHBondContact OG1-OG 3.49Å
732Q98.2Very high96.6Very high6 Ų626.5 Ų26.53%0.02813%0.131CC..SBendtrans-81.5-14.1169-60.5175.9-120.800112.6I759 A762 G764 K766 M1020 C1059Q732-I759 HydrophobicContact CG-CD1 3.95Å; Q732-A762 HydrophobicContact CG-CB 3.66Å; Q732-A762 VanDerWaalsContact OE1-CB 3.28Å; Q732-G764 VanDerWaalsContact OE1-C 3.27Å; Q732-K766 WeakPolarHBondContact CB-O 3.29Å; Q732-K766 HydrophobicContact CG-CB 4.14Å; Q732-K766 PolarHBondContact N-O 3.43Å; Q732-M1020 HydrophobicContact CB-CE 4.25Å; Q732-M1020 HydrophobicContact CG-CE 3.62Å; Q732-M1020 HydrophobicContact CG-SD 4.2Å; Q732-C1059 PolarHBondContact NE2-O 3.26Å; Q732-C1059 PolarHBondContact O-N 3.02Å
733N97.6Very high97.1Very high2 Ų223.4 Ų23.41%0.01112%0.117CC..  trans-133.176.4-171.5-165.1-9.7000111.6T731 T735 D736 T737 E767 P1058T731-N733 VanDerWaalsContact C-N 3.33Å; T731-N733 PolarHBondContact OG1-N 3.26Å; N733-T735 PolarHBondContact O-N 3.06Å; N733-D736 HydrophobicContact CB-CB 4.5Å; N733-D736 WeakPolarHBondContact ND2-CB 3.23Å; N733-D736 VanDerWaalsContact ND2-CG 3.26Å; N733-D736 PolarHBondContact ND2-OD2 3.33Å; N733-D736 PolarHBondContact O-N 3.48Å; N733-D736 PolarHBondContact OD1-N 2.85Å; N733-D736 VanDerWaalsContact OD1-N 3.14Å; N733-T737 PolarHBondContact O-N 3.08Å; N733-T737 PolarHBondContact O-OG1 3.32Å; N733-E767 WeakPolarHBondContact CB-O 3.45Å; N733-P1058 HydrophobicContact CB-CB 4.01Å
734P98.2Very high97.5Very high1 Ų120.4 Ų20.41%0.00610%0.101CC..Hα-helixtrans-59.3-33.5179.4-21.832.3000112.9T731 Q738 V754 V756 V1018 T1048 T1050 M1056T731-P734 HydrophobicContact CG2-CG 4.39Å; P734-Q738 WeakPolarHBondContact O-CB 3.42Å; P734-Q738 PolarHBondContact O-N 3.44Å; P734-V754 HydrophobicContact CB-CB 4.08Å; P734-V754 HydrophobicContact CB-CG1 3.87Å; P734-V754 WeakPolarHBondContact O-CG2 3.25Å; P734-V756 HydrophobicContact CB-CG2 4.42Å; P734-V756 HydrophobicContact CG-CG2 3.8Å; P734-V1018 HydrophobicContact CG-CG2 4.04Å; P734-T1048 HydrophobicContact CG-CG2 4.25Å; P734-T1050 HydrophobicContact CB-CG2 4.02Å; P734-M1056 HydrophobicContact CB-CE 3.79Å; P734-M1056 HydrophobicContact CG-CE 4.11Å
735T97.7Very high97.5Very high8 Ų815.8 Ų15.85%0.0498%0.079CC..Hα-helixtrans-66.4-48.5-179.5-51.20000112.1N733 T737 Q738 I739 M1056N733-T735 PolarHBondContact O-N 3.06Å; T735-T737 VanDerWaalsContact C-N 3.29Å; T735-T737 PolarHBondContact O-N 3.2Å; T735-Q738 VanDerWaalsContact O-CB 3.32Å; T735-Q738 WeakPolarHBondContact O-CB 3.47Å; T735-Q738 PolarHBondContact O-N 2.99Å; T735-Q738 VanDerWaalsContact O-N 3.13Å; T735-I739 HydrophobicContact CG2-CD1 3.95Å; T735-I739 VanDerWaalsContact O-CG1 3.31Å; T735-I739 WeakPolarHBondContact O-CG1 3.43Å; T735-I739 PolarHBondContact O-N 2.82Å; T735-M1056 WeakPolarHBondContact CB-O 3.46Å; T735-M1056 WeakPolarHBondContact OG1-CA 3.21Å; T735-M1056 WeakPolarHBondContact OG1-CB 3.44Å; T735-M1056 PolarHBondContact OG1-N 2.99Å; T735-M1056 PolarHBondContact OG1-O 3.22Å
736D96.5Very high97.4Very high34 Ų3418 Ų1818%0.18210%0.104CC..Hα-helixtrans-69.5-31179.4-78.8-15.3000112.1H594 N733 S740 I771H594-D736 IonicContact CE1-OD2 2.73Å; H594-D736 PolarHBondContact CE1-OD2 3.01Å; H594-D736 VanDerWaalsContact CE1-OD2 3.25Å; H594-D736 IonicContact NE2-OD2 2.68Å; N733-D736 HydrophobicContact CB-CB 4.5Å; N733-D736 WeakPolarHBondContact ND2-CB 3.23Å; N733-D736 VanDerWaalsContact ND2-CG 3.26Å; N733-D736 PolarHBondContact ND2-OD2 3.33Å; N733-D736 PolarHBondContact O-N 3.48Å; N733-D736 PolarHBondContact OD1-N 2.85Å; N733-D736 VanDerWaalsContact OD1-N 3.14Å; D736-S740 VanDerWaalsContact O-CB 3.27Å; D736-S740 WeakPolarHBondContact O-CB 3.45Å; D736-S740 PolarHBondContact O-N 3.04Å; D736-S740 PolarHBondContact O-OG 2.79Å; D736-I771 HydrophobicContact CB-CD1 4.21Å
737T98.1Very high97.2Very high1 Ų115.8 Ų15.81%0.0069%0.094CC..Hα-helixtrans-60.9-45.7168.6-60.60000110.8I727 N733 T735 S740 V741 V754 A774I727-T737 HydrophobicContact CG2-CG2 4.1Å; N733-T737 PolarHBondContact O-N 3.08Å; N733-T737 PolarHBondContact O-OG1 3.32Å; T735-T737 VanDerWaalsContact C-N 3.29Å; T735-T737 PolarHBondContact O-N 3.2Å; T737-S740 PolarHBondContact O-N 3.08Å; T737-V741 HydrophobicContact CG2-CG2 4.43Å; T737-V741 WeakPolarHBondContact O-CB 3.5Å; T737-V741 VanDerWaalsContact O-CG2 3.3Å; T737-V741 WeakPolarHBondContact O-CG2 3.5Å; T737-V741 PolarHBondContact O-N 2.84Å; T737-V754 HydrophobicContact CG2-CG1 4.12Å; T737-V754 HydrophobicContact CG2-CG2 4.14Å; T737-A774 HydrophobicContact CG2-CB 3.82Å
738Q98.5Very high97.2Very high16 Ų1618.8 Ų18.88%0.07511%0.114CC..Hα-helixtrans-59.9-48.6177.5-174.2-173.228.100111.5P734 T735 A742 Q749 V752 V754 T1050P734-Q738 WeakPolarHBondContact O-CB 3.42Å; P734-Q738 PolarHBondContact O-N 3.44Å; T735-Q738 VanDerWaalsContact O-CB 3.32Å; T735-Q738 WeakPolarHBondContact O-CB 3.47Å; T735-Q738 PolarHBondContact O-N 2.99Å; T735-Q738 VanDerWaalsContact O-N 3.13Å; Q738-A742 WeakPolarHBondContact O-CB 3.34Å; Q738-A742 PolarHBondContact O-N 2.68Å; Q738-Q749 HydrophobicContact CG-CB 4.42Å; Q738-Q749 PolarHBondContact NE2-O 2.84Å; Q738-V752 HydrophobicContact CG-CB 3.97Å; Q738-V752 HydrophobicContact CG-CG1 4.09Å; Q738-V752 WeakPolarHBondContact CG-O 3.32Å; Q738-V752 PolarHBondContact NE2-O 3.18Å; Q738-V754 HydrophobicContact CB-CG2 3.64Å; Q738-V754 HydrophobicContact CG-CG2 4.34Å; Q738-T1050 HydrophobicContact CB-CG2 4.21Å; Q738-T1050 PolarHBondContact NE2-OG1 2.72Å
739I97.6Very high97.1Very high40 Ų4021.4 Ų21.421%0.20513%0.125CC..Hα-helixtrans-60.1-50.8178.8-68.2167.4000109.9T735 V741 A742 E743 Q749T735-I739 HydrophobicContact CG2-CD1 3.95Å; T735-I739 VanDerWaalsContact O-CG1 3.31Å; T735-I739 WeakPolarHBondContact O-CG1 3.43Å; T735-I739 PolarHBondContact O-N 2.82Å; I739-V741 PolarHBondContact O-N 3Å; I739-A742 PolarHBondContact O-N 3.26Å; I739-E743 HydrophobicContact CG2-CG 4.27Å; I739-E743 WeakPolarHBondContact O-CB 3.48Å; I739-E743 WeakPolarHBondContact O-CG 3.33Å; I739-E743 PolarHBondContact O-N 3.2Å; I739-Q749 HydrophobicContact CG1-CG 4.48Å
740S97.6Very high97Very high12 Ų1228.2 Ų28.28%0.08416%0.157CC..Hα-helixtrans-64.9-41-174.9-55.80000111.8D736 T737 M744 L775D736-S740 VanDerWaalsContact O-CB 3.27Å; D736-S740 WeakPolarHBondContact O-CB 3.45Å; D736-S740 PolarHBondContact O-N 3.04Å; D736-S740 PolarHBondContact O-OG 2.79Å; T737-S740 PolarHBondContact O-N 3.08Å; S740-M744 VanDerWaalsContact O-CB 3.3Å; S740-M744 WeakPolarHBondContact O-CB 3.38Å; S740-M744 PolarHBondContact O-N 2.79Å; S740-L775 VanDerWaalsContact C-CD2 3.46Å; S740-L775 WeakPolarHBondContact O-CD2 3.46Å
741V98Very high97Very high1 Ų130.5 Ų30.51%0.00617%0.166CC..Hα-helixtrans-65.9-44.3176170.10000111M725 I727 T737 I739 M744 L745 V752 A774 L775 A778M725-V741 HydrophobicContact CG-CG1 4.2Å; I727-V741 HydrophobicContact CD1-CG1 4.4Å; I727-V741 HydrophobicContact CD1-CG2 4.45Å; I727-V741 HydrophobicContact CG1-CG1 4.44Å; I727-V741 HydrophobicContact CG1-CG2 4.38Å; T737-V741 HydrophobicContact CG2-CG2 4.43Å; T737-V741 WeakPolarHBondContact O-CB 3.5Å; T737-V741 VanDerWaalsContact O-CG2 3.3Å; T737-V741 WeakPolarHBondContact O-CG2 3.5Å; T737-V741 PolarHBondContact O-N 2.84Å; I739-V741 PolarHBondContact O-N 3Å; V741-M744 PolarHBondContact O-N 3.15Å; V741-L745 HydrophobicContact CG1-CD1 3.89Å; V741-L745 WeakPolarHBondContact O-CB 3.45Å; V741-L745 WeakPolarHBondContact O-CG 3.26Å; V741-L745 PolarHBondContact O-N 2.94Å; V741-V752 HydrophobicContact CB-CG1 4.16Å; V741-V752 HydrophobicContact CG1-CG1 3.91Å; V741-V752 HydrophobicContact CG1-CG2 4.18Å; V741-A774 HydrophobicContact CG2-CB 4.48Å; V741-L775 HydrophobicContact CB-CD2 4.48Å; V741-L775 HydrophobicContact CG2-CD2 3.93Å; V741-A778 HydrophobicContact CG1-CB 3.81Å; V741-A778 HydrophobicContact CG2-CB 4.21Å
742A97.3Very high97Very high2 Ų230.5 Ų30.52%0.01717%0.166CC..Hα-helixtrans-62.5-44.6178.800000111.9Q738 I739 L745 G746 I747 Q749 V752Q738-A742 WeakPolarHBondContact O-CB 3.34Å; Q738-A742 PolarHBondContact O-N 2.68Å; I739-A742 PolarHBondContact O-N 3.26Å; A742-L745 PolarHBondContact O-N 3.3Å; A742-G746 PolarHBondContact O-N 2.82Å; A742-I747 CarbonylContact C-O 3.39Å; A742-I747 HydrophobicContact CB-CG1 4.44Å; A742-I747 WeakPolarHBondContact CB-O 3.35Å; A742-I747 PolarHBondContact O-N 2.93Å; A742-Q749 HydrophobicContact CB-CG 4.05Å; A742-V752 HydrophobicContact CB-CG2 3.89Å
743E96.4Very high97Very high87 Ų8732 Ų3241%0.40718%0.176SC..Hα-helixtrans-65-42.3176.2-73.6178.815500112.3K596 I739 G746K596-E743 IonicContact NZ-OE1 3.69Å; K596-E743 IonicContact NZ-OE2 2.69Å; K596-E743 PolarHBondContact NZ-OE2 3.28Å; I739-E743 HydrophobicContact CG2-CG 4.27Å; I739-E743 WeakPolarHBondContact O-CB 3.48Å; I739-E743 WeakPolarHBondContact O-CG 3.33Å; I739-E743 PolarHBondContact O-N 3.2Å; E743-G746 PolarHBondContact O-N 2.83Å
744M96.2Very high97.1Very high4 Ų432 Ų322%0.0218%0.176CC..Hα-helixtrans-59.5-48.4175.5177.4-83.6-68.600110.9W588 S589 M600 S740 V741 G746 L775 A778 F779W588-M744 CarbonylContact C-O 3.59Å; W588-M744 WeakPolarHBondContact CA-O 3.31Å; W588-M744 WeakPolarHBondContact CB-O 3.3Å; W588-M744 HydrophobicContact CE3-SD 4.09Å; S589-M744 PolarHBondContact N-O 2.84Å; S589-M744 WeakPolarHBondContact O-CG 3.45Å; M600-M744 HydrophobicContact SD-CG 4.4Å; S740-M744 VanDerWaalsContact O-CB 3.3Å; S740-M744 WeakPolarHBondContact O-CB 3.38Å; S740-M744 PolarHBondContact O-N 2.79Å; V741-M744 PolarHBondContact O-N 3.15Å; M744-G746 VanDerWaalsContact C-N 3.26Å; M744-G746 PolarHBondContact O-N 2.92Å; M744-L775 HydrophobicContact CB-CD2 3.98Å; M744-L775 WeakPolarHBondContact CE-O 3.45Å; M744-L775 HydrophobicContact CG-CD2 4.48Å; M744-A778 HydrophobicContact CE-CB 3.95Å; M744-F779 HydrophobicContact CE-CB 3.89Å; M744-F779 HydrophobicContact SD-CB 4.08Å; M744-F779 HydrophobicContact SD-CD2 4.26Å
745L94.3Very high97.1Very high7 Ų732 Ų324%0.03718%0.176CC..Hα-helixtrans-77.3-6.7-179.4-66.8174.9000114.2W588 M725 V741 A742 I747 R782W588-L745 VanDerWaalsContact CD1-O 3.29Å; W588-L745 HydrophobicContact CD2-CD2 4.32Å; W588-L745 HydrophobicContact CE3-CD2 4.04Å; W588-L745 HydrophobicContact CH2-CD2 3.8Å; W588-L745 HydrophobicContact CZ2-CD2 4.05Å; W588-L745 HydrophobicContact CZ3-CD2 3.77Å; W588-L745 PolarHBondContact NE1-O 2.87Å; W588-L745 VanDerWaalsContact NE1-O 3.1Å; M725-L745 HydrophobicContact CB-CD1 4.42Å; M725-L745 HydrophobicContact CE-CD1 4.12Å; M725-L745 HydrophobicContact CG-CD1 4.41Å; V741-L745 HydrophobicContact CG1-CD1 3.89Å; V741-L745 WeakPolarHBondContact O-CB 3.45Å; V741-L745 WeakPolarHBondContact O-CG 3.26Å; V741-L745 PolarHBondContact O-N 2.94Å; A742-L745 PolarHBondContact O-N 3.3Å; L745-I747 VanDerWaalsContact C-N 3.3Å; L745-I747 HydrophobicContact CB-CD1 4.03Å; L745-I747 HydrophobicContact CB-CG1 3.93Å; L745-I747 HydrophobicContact CB-CG2 4.38Å; L745-I747 HydrophobicContact CD1-CD1 3.89Å; L745-I747 PolarHBondContact O-N 2.89Å; L745-R782 HydrophobicContact CD2-CB 4.08Å; L745-R782 HydrophobicContact CD2-CG 4.08Å
746G94.1Very high97.1Very high52 Ų5231.8 Ų31.854%0.53618%0.175SC..THydrogen-bonded Turntrans64.331.4-175.600000113.8A742 E743 M744A742-G746 PolarHBondContact O-N 2.82Å; E743-G746 PolarHBondContact O-N 2.83Å; M744-G746 VanDerWaalsContact C-N 3.26Å; M744-G746 PolarHBondContact O-N 2.92Å
747I95.1Very high97.1Very high30 Ų3032.9 Ų32.915%0.15418%0.178CC..  trans-117.2160.4-178.864.9-179.1000112N723 A742 L745 K751 V752N723-I747 HydrophobicContact CB-CG2 4.39Å; N723-I747 WeakPolarHBondContact O-CD1 3.16Å; A742-I747 CarbonylContact C-O 3.39Å; A742-I747 HydrophobicContact CB-CG1 4.44Å; A742-I747 WeakPolarHBondContact CB-O 3.35Å; A742-I747 PolarHBondContact O-N 2.93Å; L745-I747 VanDerWaalsContact C-N 3.3Å; L745-I747 HydrophobicContact CB-CD1 4.03Å; L745-I747 HydrophobicContact CB-CG1 3.93Å; L745-I747 HydrophobicContact CB-CG2 4.38Å; L745-I747 HydrophobicContact CD1-CD1 3.89Å; L745-I747 PolarHBondContact O-N 2.89Å; I747-K751 HydrophobicContact CD1-CB 4.1Å; I747-V752 HydrophobicContact CD1-CG2 3.75Å; I747-V752 HydrophobicContact CG1-CG2 4.17Å
748P96.6Very high97Very high64 Ų6433.9 Ų33.942%0.41618%0.182SC..  trans-66.7146.6173.4-21.634.5000113H750 K751P748-H750 WeakPolarHBondContact CB-CE1 3.37Å; P748-H750 WeakPolarHBondContact CB-ND1 3.28Å; P748-H750 PolarHBondContact O-N 2.99Å; P748-H750 VanDerWaalsContact O-N 3.12Å; P748-K751 WeakPolarHBondContact O-CB 3.27Å; P748-K751 PolarHBondContact O-N 2.82Å
749Q96.9Very high96.9Very high80 Ų8033.1 Ų33.137%0.37418%0.178SC..G310 helixtrans-57.2-29.7180-65.1173.926.700114.2Q738 I739 A742 K751 V752Q738-Q749 HydrophobicContact CG-CB 4.42Å; Q738-Q749 PolarHBondContact NE2-O 2.84Å; I739-Q749 HydrophobicContact CG1-CG 4.48Å; A742-Q749 HydrophobicContact CB-CG 4.05Å; Q749-K751 PolarHBondContact O-N 2.98Å; Q749-V752 PolarHBondContact O-N 3.46Å
750H96.6Very high96.8Very high145 Ų14531.2 Ų31.267%0.67117%0.168SC*.G310 helixtrans-68-12.8178.966.9-103.4000113.6P748 V752P748-H750 WeakPolarHBondContact CB-CE1 3.37Å; P748-H750 WeakPolarHBondContact CB-ND1 3.28Å; P748-H750 PolarHBondContact O-N 2.99Å; P748-H750 VanDerWaalsContact O-N 3.12Å; H750-V752 VanDerWaalsContact C-N 3.34Å
751K97.2Very high96.6Very high48 Ų4830.7 Ų30.721%0.20917%0.165CC..G310 helixtrans-88.4-4.7172-62.1-160169.6-159.20112.8E722 E724 M725 I747 P748 Q749E722-K751 PolarHBondContact O-NZ 3Å; E724-K751 CarbonylContact C-O 3.59Å; E724-K751 VanDerWaalsContact CA-O 3.28Å; E724-K751 WeakPolarHBondContact CA-O 3.42Å; M725-K751 PolarHBondContact N-O 2.99Å; I747-K751 HydrophobicContact CD1-CB 4.1Å; P748-K751 WeakPolarHBondContact O-CB 3.27Å; P748-K751 PolarHBondContact O-N 2.82Å; Q749-K751 PolarHBondContact O-N 2.98Å
752V98.3Very high96.5Very high0 Ų030.7 Ų30.70%017%0.165CC..EExtended strand (participates in β ladder)trans-115.4119.2179.9-175.10000108.9M725 I727 Q738 V741 A742 I747 Q749 H750 V754M725-V752 HydrophobicContact CB-CG2 4.37Å; M725-V752 CarbonylContact O-C 3.53Å; M725-V752 VanDerWaalsContact O-CA 3.28Å; M725-V752 WeakPolarHBondContact O-CA 3.2Å; I727-V752 HydrophobicContact CG1-CG1 4.2Å; Q738-V752 HydrophobicContact CG-CB 3.97Å; Q738-V752 HydrophobicContact CG-CG1 4.09Å; Q738-V752 WeakPolarHBondContact CG-O 3.32Å; Q738-V752 PolarHBondContact NE2-O 3.18Å; V741-V752 HydrophobicContact CB-CG1 4.16Å; V741-V752 HydrophobicContact CG1-CG1 3.91Å; V741-V752 HydrophobicContact CG1-CG2 4.18Å; A742-V752 HydrophobicContact CB-CG2 3.89Å; I747-V752 HydrophobicContact CD1-CG2 3.75Å; I747-V752 HydrophobicContact CG1-CG2 4.17Å; Q749-V752 PolarHBondContact O-N 3.46Å; H750-V752 VanDerWaalsContact C-N 3.34Å; V752-V754 HydrophobicContact CG1-CG2 4.26Å
753T98.6Very high96.5Very high39 Ų3931.8 Ų31.824%0.23917%0.169CC..EExtended strand (participates in β ladder)trans-109.2124.2174.6-65.20000108.9M725 E726 I727 E1051M725-T753 PolarHBondContact O-N 3.39Å; E726-T753 CarbonylContact C-O 3.58Å; E726-T753 WeakPolarHBondContact CA-O 3.5Å; I727-T753 PolarHBondContact N-O 3.3Å; T753-E1051 HydrophobicContact CG2-CB 4.07Å
754V98.7Very high96.5Very high0 Ų027.9 Ų27.90%015%0.152CC..EExtended strand (participates in β ladder)trans-111.5124.5176.3-1720000109.1I727 T731 P734 T737 Q738 V752 S1049 T1050I727-V754 HydrophobicContact CB-CB 4.49Å; I727-V754 HydrophobicContact CB-CG1 4.35Å; I727-V754 HydrophobicContact CB-CG2 4.08Å; I727-V754 HydrophobicContact CG1-CG2 4.47Å; I727-V754 HydrophobicContact CG2-CG1 4.24Å; I727-V754 CarbonylContact O-C 3.54Å; I727-V754 VanDerWaalsContact O-CA 3.3Å; I727-V754 WeakPolarHBondContact O-CA 3.46Å; T731-V754 HydrophobicContact CG2-CG1 4.45Å; P734-V754 HydrophobicContact CB-CB 4.08Å; P734-V754 HydrophobicContact CB-CG1 3.87Å; P734-V754 WeakPolarHBondContact O-CG2 3.25Å; T737-V754 HydrophobicContact CG2-CG1 4.12Å; T737-V754 HydrophobicContact CG2-CG2 4.14Å; Q738-V754 HydrophobicContact CB-CG2 3.64Å; Q738-V754 HydrophobicContact CG-CG2 4.34Å; V752-V754 HydrophobicContact CG1-CG2 4.26Å; V754-S1049 WeakPolarHBondContact O-CA 3.47Å; V754-T1050 HydrophobicContact CB-CG2 4.09Å; V754-T1050 PolarHBondContact N-OG1 2.88Å; V754-T1050 PolarHBondContact O-N 2.95Å; V754-T1050 VanDerWaalsContact O-N 3.1Å
755S98Very high96.5Very high3 Ų327.7 Ų27.72%0.02115%0.151CC..EExtended strand (participates in β ladder)trans-123.6140.8-179.676.40000112.9I727 S729 T1048I727-S755 PolarHBondContact O-N 3.45Å; S729-S755 PolarHBondContact N-O 3.19Å; S755-T1048 WeakPolarHBondContact CA-O 3.2Å
756V98.3Very high96.7Very high2 Ų227.4 Ų27.41%0.01215%0.15CC..EExtended strand (participates in β ladder)trans-140.5110.9-178.2-1690000109.5S729 T731 P734 I759 V1018 Q1047 T1048S729-V756 WeakPolarHBondContact O-CG2 3.4Å; T731-V756 HydrophobicContact CG2-CG2 3.65Å; P734-V756 HydrophobicContact CB-CG2 4.42Å; P734-V756 HydrophobicContact CG-CG2 3.8Å; V756-I759 HydrophobicContact CG1-CG2 3.69Å; V756-V1018 HydrophobicContact CB-CG1 4.38Å; V756-V1018 HydrophobicContact CB-CG2 4.41Å; V756-V1018 HydrophobicContact CG1-CG1 3.61Å; V756-V1018 HydrophobicContact CG1-CG2 4.46Å; V756-Q1047 WeakPolarHBondContact O-CB 3.24Å; V756-T1048 PolarHBondContact N-O 3.43Å; V756-T1048 PolarHBondContact O-N 2.89Å
757K96Very high96.8Very high57 Ų5725.6 Ų25.625%0.24813%0.127CC..SBendtrans-80.1-46177.9-179.460.6-174.6171.10112.6V1045 Q1047K757-V1045 PolarHBondContact NZ-O 2.93Å; K757-V1045 VanDerWaalsContact NZ-O 3.17Å; K757-Q1047 HydrophobicContact CB-CB 4.07Å; K757-Q1047 HydrophobicContact CD-CB 3.8Å
758R96.3Very high96.9Very high22 Ų2224.5 Ų24.58%0.08312%0.122CC..  trans-167.6160.4179.462.7-179.462.581.2-3.5108.8S526 K536 Y537 E1019S526-R758 PolarHBondContact OG-NH2 3.28Å; K536-R758 PolarHBondContact O-NH1 3.1Å; Y537-R758 HydrophobicContact CD1-CG 3.92Å; Y537-R758 HydrophobicContact CE1-CG 4.02Å; R758-E1019 CarbonylContact C-O 3.52Å; R758-E1019 VanDerWaalsContact CA-O 3.31Å; R758-E1019 WeakPolarHBondContact CA-O 3.35Å
759I96.6Very high96.8Very high1 Ų121.8 Ų21.81%0.00511%0.105CC..  trans-130.3140.5172.964.8-170.7000111.1E711 S730 Q732 V756 G761 A762 V1018 E1019 M1020E711-I759 VanDerWaalsContact OE2-CA 3.32Å; E711-I759 WeakPolarHBondContact OE2-CA 3.09Å; S730-I759 WeakPolarHBondContact OG-CB 3.31Å; S730-I759 VanDerWaalsContact OG-CG2 3.26Å; S730-I759 WeakPolarHBondContact OG-CG2 3.34Å; Q732-I759 HydrophobicContact CG-CD1 3.95Å; V756-I759 HydrophobicContact CG1-CG2 3.69Å; I759-G761 PolarHBondContact O-N 3.41Å; I759-A762 HydrophobicContact CD1-CB 3.49Å; I759-A762 VanDerWaalsContact CD1-CB 3.49Å; I759-A762 HydrophobicContact CG1-CB 4.24Å; I759-V1018 HydrophobicContact CD1-CG1 3.96Å; I759-V1018 HydrophobicContact CG1-CG1 4.33Å; I759-V1018 HydrophobicContact CG2-CG1 4.34Å; I759-E1019 PolarHBondContact N-O 2.96Å; I759-M1020 HydrophobicContact CD1-CB 3.52Å; I759-M1020 HydrophobicContact CD1-CE 4.27Å; I759-M1020 HydrophobicContact CG1-CB 3.22Å; I759-M1020 WeakPolarHBondContact O-CA 3.45Å
760G95.7Very high96.8Very high0 Ų018 Ų180%09%0.087CC..SBendtrans-7851-178.700000113.3F710 E711F710-G760 PolarHBondContact N-O 3.28Å; F710-G760 VanDerWaalsContact N-O 3.12Å; E711-G760 PolarHBondContact N-O 3.37Å; E711-G760 VanDerWaalsContact N-O 3.13Å; E711-G760 PolarHBondContact OE2-N 3.41Å
761G94.3Very high96.8Very high1 Ų111.4 Ų11.41%0.016%0.057CC..  trans91.1152.7-172.200000112.6Y709 I759 K766Y709-G761 VanDerWaalsContact CB-O 3.29Å; Y709-G761 WeakPolarHBondContact CB-O 3.47Å; I759-G761 PolarHBondContact O-N 3.41Å; G761-K766 PolarHBondContact O-NZ 3.25Å; G761-K766 VanDerWaalsContact O-NZ 3.11Å
762A96Very high96.8Very high0 Ų010 Ų100%05%0.052CC..  trans-154.8-53.6-177.500000113.7Y709 Q732 I759 G764 G765 K766 M1020Y709-A762 WeakPolarHBondContact CD1-O 3.48Å; Q732-A762 HydrophobicContact CG-CB 3.66Å; Q732-A762 VanDerWaalsContact OE1-CB 3.28Å; I759-A762 HydrophobicContact CD1-CB 3.49Å; I759-A762 VanDerWaalsContact CD1-CB 3.49Å; I759-A762 HydrophobicContact CG1-CB 4.24Å; A762-G764 PolarHBondContact O-N 3.2Å; A762-G764 VanDerWaalsContact O-N 3.07Å; A762-G765 PolarHBondContact O-N 3.21Å; A762-K766 HydrophobicContact CB-CB 4Å; A762-K766 HydrophobicContact CB-CD 3.96Å; A762-K766 HydrophobicContact CB-CG 4.17Å; A762-M1020 HydrophobicContact CB-CB 4.38Å; A762-M1020 HydrophobicContact CB-SD 4.01Å
763F96.3Very high96.7Very high26 Ų2610 Ų1011%0.1145%0.052CC..THydrogen-bonded Turntrans57.522.3172.9-44-71.9000115.8F113 M115 F885 R886F113-F763 AromaticContact CD1-CE2 4Å; F113-F763 HydrophobicContact CD1-CE2 4Å; M115-F763 HydrophobicContact CB-CD1 4.43Å; M115-F763 HydrophobicContact CB-CE1 3.73Å; M115-F763 HydrophobicContact CB-CE2 4.03Å; M115-F763 HydrophobicContact CB-CZ 3.51Å; M115-F763 HydrophobicContact CG-CZ 4.45Å; F763-F885 CarbonylContact O-C 3.56Å; F763-F885 WeakPolarHBondContact O-CA 2.93Å; F763-R886 PolarHBondContact O-N 2.95Å
764G95.9Very high96.7Very high5 Ų58.1 Ų8.15%0.0524%0.04CC..THydrogen-bonded Turntrans103.7-27.8-175.300000113.2Q732 A762 K766 E767 A884Q732-G764 VanDerWaalsContact OE1-C 3.27Å; A762-G764 PolarHBondContact O-N 3.2Å; A762-G764 VanDerWaalsContact O-N 3.07Å; G764-K766 PolarHBondContact O-N 2.97Å; G764-K766 VanDerWaalsContact O-N 3.08Å; G764-E767 WeakPolarHBondContact O-CB 3.47Å; G764-E767 PolarHBondContact O-N 3.13Å; G764-A884 CarbonylContact C-O 2.97Å; G764-A884 VanDerWaalsContact CA-O 3.29Å; G764-A884 WeakPolarHBondContact CA-O 3.35Å
765G96.7Very high96.7Very high0 Ų08.3 Ų8.30%04%0.041CC..THydrogen-bonded Turntrans-74.81-176.700000114.4H707 A762 A769 A884H707-G765 WeakPolarHBondContact CD2-CA 3.45Å; H707-G765 PolarHBondContact CD2-N 3.06Å; H707-G765 VanDerWaalsContact CE1-CA 3.48Å; H707-G765 WeakPolarHBondContact CE1-CA 3.21Å; H707-G765 WeakPolarHBondContact NE2-CA 3.45Å; H707-G765 PolarHBondContact NE2-N 3.17Å; A762-G765 PolarHBondContact O-N 3.21Å; G765-A769 WeakPolarHBondContact O-CB 3.47Å; G765-A884 PolarHBondContact N-O 3.18Å
766K98.1Very high96.6Very high0 Ų08.2 Ų8.20%04%0.041CC..THydrogen-bonded Turntrans-119.819169.3-59.2177.3171.1176.50111.7Y709 E711 S730 T731 Q732 G761 A762 G764 S770Y709-K766 HydrophobicContact CD1-CG 4.23Å; Y709-K766 HydrophobicContact CE1-CG 4.04Å; E711-K766 WeakPolarHBondContact O-CE 3.5Å; E711-K766 PolarHBondContact O-NZ 3.44Å; E711-K766 IonicContact OE2-NZ 3.25Å; E711-K766 PolarHBondContact OE2-NZ 3.35Å; S730-K766 WeakPolarHBondContact O-CD 3.45Å; S730-K766 PolarHBondContact OG-NZ 2.94Å; T731-K766 PolarHBondContact OG1-O 3.27Å; Q732-K766 WeakPolarHBondContact CB-O 3.29Å; Q732-K766 HydrophobicContact CG-CB 4.14Å; Q732-K766 PolarHBondContact N-O 3.43Å; G761-K766 PolarHBondContact O-NZ 3.25Å; G761-K766 VanDerWaalsContact O-NZ 3.11Å; A762-K766 HydrophobicContact CB-CB 4Å; A762-K766 HydrophobicContact CB-CD 3.96Å; A762-K766 HydrophobicContact CB-CG 4.17Å; G764-K766 PolarHBondContact O-N 2.97Å; G764-K766 VanDerWaalsContact O-N 3.08Å; K766-S770 PolarHBondContact O-OG 3.18Å
767E97Very high96.6Very high14 Ų148.1 Ų8.17%0.0654%0.04CC..THydrogen-bonded Turntrans-76.2-44.3173.2-170.8168.7164.500111.6N733 G764 L847 A884 P1058 A1060N733-E767 WeakPolarHBondContact CB-O 3.45Å; G764-E767 WeakPolarHBondContact O-CB 3.47Å; G764-E767 PolarHBondContact O-N 3.13Å; E767-L847 HydrophobicContact CB-CD1 4.36Å; E767-L847 HydrophobicContact CG-CD1 4Å; E767-A884 HydrophobicContact CB-CB 4.4Å; E767-A884 WeakPolarHBondContact OE2-CB 3.34Å; E767-P1058 HydrophobicContact CG-CB 3.84Å; E767-P1058 HydrophobicContact CG-CG 4.46Å; E767-A1060 WeakPolarHBondContact OE2-CB 3.34Å
768T96.4Very high96.6Very high8 Ų85.4 Ų5.45%0.0493%0.028CC..SBendtrans-127.4-34.5176.455.40000112.8S770 I771 D846 L847 T883T768-S770 PolarHBondContact O-N 2.85Å; T768-S770 VanDerWaalsContact O-N 3.1Å; T768-I771 VanDerWaalsContact O-CB 3.25Å; T768-I771 WeakPolarHBondContact O-CB 3.46Å; T768-I771 WeakPolarHBondContact O-CG1 3.22Å; T768-I771 PolarHBondContact O-N 2.98Å; T768-D846 VanDerWaalsContact CB-OD2 3.27Å; T768-D846 WeakPolarHBondContact CB-OD2 3.28Å; T768-D846 VanDerWaalsContact OG1-CG 3.3Å; T768-D846 PolarHBondContact OG1-OD1 3.28Å; T768-D846 PolarHBondContact OG1-OD2 3.07Å; T768-L847 HydrophobicContact CG2-CD1 3.91Å; T768-L847 HydrophobicContact CG2-CD2 4.28Å; T768-L847 HydrophobicContact CG2-CG 3.99Å; T768-T883 PolarHBondContact OG1-OG1 3.42Å; T768-T883 VanDerWaalsContact OG1-OG1 3.07Å
769A94.7Very high96.6Very high7 Ų74.4 Ų4.46%0.0582%0.024CC..THydrogen-bonded Turntrans-64.2-20.4-175.400000113.8G765 I771 I772 T810G765-A769 WeakPolarHBondContact O-CB 3.47Å; A769-I771 PolarHBondContact O-N 3.33Å; A769-I772 WeakPolarHBondContact O-CD1 3.28Å; A769-I772 WeakPolarHBondContact O-CG1 3.26Å; A769-I772 PolarHBondContact O-N 3.33Å; A769-T810 HydrophobicContact CB-CG2 4.26Å
770S96.8Very high96.5Very high0 Ų04.4 Ų4.40%02%0.024CC..THydrogen-bonded Turntrans-63-20.4172.1600000113.5N713 T731 K766 T768 I772 V773 A774N713-S770 VanDerWaalsContact OD1-CA 3.31Å; N713-S770 WeakPolarHBondContact OD1-CA 3.38Å; T731-S770 WeakPolarHBondContact CB-OG 3.49Å; T731-S770 PolarHBondContact OG1-OG 3.49Å; K766-S770 PolarHBondContact O-OG 3.18Å; T768-S770 PolarHBondContact O-N 2.85Å; T768-S770 VanDerWaalsContact O-N 3.1Å; S770-I772 VanDerWaalsContact C-N 3.26Å; S770-I772 PolarHBondContact O-N 3.49Å; S770-V773 WeakPolarHBondContact O-CG2 3.48Å; S770-V773 PolarHBondContact O-N 3.48Å; S770-A774 PolarHBondContact O-N 3Å
771I97.6Very high96.5Very high7 Ų74.4 Ų4.44%0.0362%0.024CC..Hα-helixtrans-66.5-31.3178.2-63.1168.4000110.7F592 D736 T768 A769 V773 A774 L775F592-I771 HydrophobicContact CD2-CG2 3.75Å; F592-I771 HydrophobicContact CE2-CG2 4.14Å; F592-I771 HydrophobicContact CG-CG2 4.43Å; D736-I771 HydrophobicContact CB-CD1 4.21Å; T768-I771 VanDerWaalsContact O-CB 3.25Å; T768-I771 WeakPolarHBondContact O-CB 3.46Å; T768-I771 WeakPolarHBondContact O-CG1 3.22Å; T768-I771 PolarHBondContact O-N 2.98Å; A769-I771 PolarHBondContact O-N 3.33Å; I771-V773 PolarHBondContact O-N 3.07Å; I771-A774 PolarHBondContact O-N 3.05Å; I771-A774 VanDerWaalsContact O-N 3.11Å; I771-L775 HydrophobicContact CG2-CD1 3.64Å; I771-L775 HydrophobicContact CG2-CD2 4.26Å; I771-L775 HydrophobicContact CG2-CG 3.67Å; I771-L775 WeakPolarHBondContact O-CG 3.2Å; I771-L775 PolarHBondContact O-N 2.97Å
772I95.8Very high96.3Very high18 Ų187.7 Ų7.79%0.0924%0.036CC..Hα-helixtrans-65.9-22.7-177.782.6-163.4000112.7F592 A769 S770 P776 M809 T810F592-I772 HydrophobicContact CE2-CG2 4.18Å; F592-I772 HydrophobicContact CZ-CG2 3.88Å; A769-I772 WeakPolarHBondContact O-CD1 3.28Å; A769-I772 WeakPolarHBondContact O-CG1 3.26Å; A769-I772 PolarHBondContact O-N 3.33Å; S770-I772 VanDerWaalsContact C-N 3.26Å; S770-I772 PolarHBondContact O-N 3.49Å; I772-P776 WeakPolarHBondContact O-CD 3Å; I772-P776 VanDerWaalsContact O-CG 3.27Å; I772-P776 WeakPolarHBondContact O-CG 3.27Å; I772-M809 HydrophobicContact CD1-CB 3.9Å; I772-M809 HydrophobicContact CD1-CE 4.19Å; I772-M809 HydrophobicContact CG1-CE 4.25Å; I772-T810 HydrophobicContact CD1-CG2 3.82Å
773V97.2Very high96Very high0 Ų011.2 Ų11.20%05%0.052CC..Hα-helixtrans-95.6-29172.8-61.20000112.2F551 N713 C715 S770 I771 A777 L801F551-V773 HydrophobicContact CE2-CG1 4.26Å; F551-V773 HydrophobicContact CZ-CG1 4.47Å; N713-V773 HydrophobicContact CB-CG1 3.94Å; N713-V773 HydrophobicContact CB-CG2 3.98Å; C715-V773 HydrophobicContact CB-CB 4.49Å; C715-V773 HydrophobicContact CB-CG2 3.98Å; S770-V773 WeakPolarHBondContact O-CG2 3.48Å; S770-V773 PolarHBondContact O-N 3.48Å; I771-V773 PolarHBondContact O-N 3.07Å; V773-A777 VanDerWaalsContact O-CB 3.24Å; V773-A777 WeakPolarHBondContact O-CB 3.03Å; V773-A777 PolarHBondContact O-N 2.77Å; V773-L801 HydrophobicContact CG1-CD1 3.79Å; V773-L801 HydrophobicContact CG1-CD2 4.13Å; V773-L801 HydrophobicContact CG1-CG 3.77Å
774A98.1Very high95.1Very high0 Ų010.3 Ų10.30%05%0.049CC..Hα-helixtrans-72.3-41.7-178.700000112.7T737 V741 S770 I771 A778T737-A774 HydrophobicContact CG2-CB 3.82Å; V741-A774 HydrophobicContact CG2-CB 4.48Å; S770-A774 PolarHBondContact O-N 3Å; I771-A774 PolarHBondContact O-N 3.05Å; I771-A774 VanDerWaalsContact O-N 3.11Å; A774-A778 VanDerWaalsContact O-CB 3.29Å; A774-A778 WeakPolarHBondContact O-CB 3.43Å; A774-A778 PolarHBondContact O-N 2.93Å
775L98Very high93.6Very high4 Ų412.4 Ų12.42%0.0216%0.061CC..Hα-helixtrans-64-52.5-179.3-59.5177.6000112.2F592 M600 S740 V741 M744 I771 A777 A778 F779F592-L775 HydrophobicContact CB-CD1 3.62Å; F592-L775 HydrophobicContact CD1-CD1 3.72Å; F592-L775 HydrophobicContact CD2-CD1 4.13Å; F592-L775 HydrophobicContact CE1-CD1 4.42Å; F592-L775 HydrophobicContact CG-CD1 3.55Å; M600-L775 HydrophobicContact CG-CB 4.06Å; M600-L775 HydrophobicContact SD-CB 3.77Å; S740-L775 VanDerWaalsContact C-CD2 3.46Å; S740-L775 WeakPolarHBondContact O-CD2 3.46Å; V741-L775 HydrophobicContact CB-CD2 4.48Å; V741-L775 HydrophobicContact CG2-CD2 3.93Å; M744-L775 HydrophobicContact CB-CD2 3.98Å; M744-L775 WeakPolarHBondContact CE-O 3.45Å; M744-L775 HydrophobicContact CG-CD2 4.48Å; I771-L775 HydrophobicContact CG2-CD1 3.64Å; I771-L775 HydrophobicContact CG2-CD2 4.26Å; I771-L775 HydrophobicContact CG2-CG 3.67Å; I771-L775 WeakPolarHBondContact O-CG 3.2Å; I771-L775 PolarHBondContact O-N 2.97Å; L775-A777 VanDerWaalsContact C-N 3.31Å; L775-A777 PolarHBondContact O-N 3.09Å; L775-A778 PolarHBondContact O-N 2.91Å; L775-F779 VanDerWaalsContact O-CB 3.26Å; L775-F779 WeakPolarHBondContact O-CB 3.36Å; L775-F779 PolarHBondContact O-N 2.99Å
776P97.2Very high91.4Very high1 Ų115.4 Ų15.41%0.0068%0.081CC..Hα-helixtrans-63.8-36.5178.9-22.335.8000112.5L549 F551 M600 F601 I612 I772 A780L549-P776 HydrophobicContact CD1-CB 4.04Å; F551-P776 HydrophobicContact CE1-CB 3.7Å; F551-P776 HydrophobicContact CE1-CG 3.69Å; F551-P776 HydrophobicContact CZ-CB 4.22Å; F551-P776 HydrophobicContact CZ-CG 4.1Å; M600-P776 HydrophobicContact CG-CG 3.78Å; M600-P776 HydrophobicContact SD-CG 4.28Å; F601-P776 HydrophobicContact CZ-CB 4.42Å; I612-P776 HydrophobicContact CD1-CG 4.43Å; I772-P776 WeakPolarHBondContact O-CD 3Å; I772-P776 VanDerWaalsContact O-CG 3.27Å; I772-P776 WeakPolarHBondContact O-CG 3.27Å; P776-A780 WeakPolarHBondContact O-CB 3.46Å; P776-A780 PolarHBondContact O-N 2.77Å
777A97.3Very high88.9Confident0 Ų020.8 Ų20.80%012%0.119CC..Hα-helixtrans-64.5-46.3176.400000111.8A717 V773 L775 A780 A781 V797 C799A717-A777 HydrophobicContact CB-CB 4.2Å; V773-A777 VanDerWaalsContact O-CB 3.24Å; V773-A777 WeakPolarHBondContact O-CB 3.03Å; V773-A777 PolarHBondContact O-N 2.77Å; L775-A777 VanDerWaalsContact C-N 3.31Å; L775-A777 PolarHBondContact O-N 3.09Å; A777-A780 PolarHBondContact O-N 3.19Å; A777-A781 WeakPolarHBondContact O-CB 3.2Å; A777-A781 PolarHBondContact O-N 3.33Å; A777-V797 HydrophobicContact CB-CG1 4.45Å; A777-C799 HydrophobicContact CB-CB 4.19Å
778A96.7Very high86.4Confident0 Ų029.3 Ų29.30%016%0.156CC..Hα-helixtrans-65.6-40.9177.100000112.3A717 M725 I727 V741 M744 A774 L775 A781 R782A717-A778 HydrophobicContact CB-CB 4.25Å; M725-A778 HydrophobicContact CG-CB 4.44Å; M725-A778 HydrophobicContact SD-CB 4.43Å; I727-A778 HydrophobicContact CD1-CB 3.88Å; V741-A778 HydrophobicContact CG1-CB 3.81Å; V741-A778 HydrophobicContact CG2-CB 4.21Å; M744-A778 HydrophobicContact CE-CB 3.95Å; A774-A778 VanDerWaalsContact O-CB 3.29Å; A774-A778 WeakPolarHBondContact O-CB 3.43Å; A774-A778 PolarHBondContact O-N 2.93Å; L775-A778 PolarHBondContact O-N 2.91Å; A778-A781 PolarHBondContact O-N 3.48Å; A778-R782 WeakPolarHBondContact O-CB 3.43Å; A778-R782 PolarHBondContact O-N 2.87Å
779F95.7Very high84.3Confident1 Ų132.8 Ų32.80%0.00418%0.175CC..Hα-helixtrans-59.1-53.2174.2170.8-93.6000110.8F579 D583 I584 W588 M600 F601 M744 L775 A781 R782 K783F579-F779 HydrophobicContact CB-CD1 4.48Å; F579-F779 HydrophobicContact CB-CE1 3.69Å; F579-F779 AromaticContact CD1-CE1 3.97Å; F579-F779 HydrophobicContact CD1-CE1 3.97Å; F579-F779 HydrophobicContact CD1-CZ 4.45Å; F579-F779 HydrophobicContact CD2-CD1 4.45Å; F579-F779 AromaticContact CD2-CE1 4Å; F579-F779 HydrophobicContact CD2-CE1 4Å; F579-F779 HydrophobicContact CG-CD1 4.46Å; F579-F779 AromaticContact CG-CE1 3.63Å; F579-F779 HydrophobicContact CG-CE1 3.63Å; D583-F779 HydrophobicContact CB-CZ 4.02Å; I584-F779 HydrophobicContact CB-CE2 4.41Å; I584-F779 HydrophobicContact CG1-CE2 3.95Å; I584-F779 HydrophobicContact CG1-CZ 4.25Å; W588-F779 AromaticContact CE3-CD2 3.69Å; W588-F779 HydrophobicContact CE3-CD2 3.69Å; W588-F779 AromaticContact CE3-CE2 3.85Å; W588-F779 HydrophobicContact CE3-CE2 3.85Å; W588-F779 AromaticContact CZ3-CD2 3.5Å; W588-F779 HydrophobicContact CZ3-CD2 3.5Å; W588-F779 VanDerWaalsContact CZ3-CD2 3.5Å; W588-F779 AromaticContact CZ3-CE2 3.7Å; W588-F779 HydrophobicContact CZ3-CE2 3.7Å; M600-F779 HydrophobicContact CE-CB 4.17Å; M600-F779 HydrophobicContact CE-CD1 4.45Å; M600-F779 HydrophobicContact CE-CD2 4Å; M600-F779 HydrophobicContact CE-CG 3.93Å; M600-F779 HydrophobicContact SD-CB 3.99Å; M600-F779 HydrophobicContact SD-CG 4.39Å; F601-F779 HydrophobicContact CE2-CD1 4.17Å; F601-F779 HydrophobicContact CE2-CE1 4.13Å; M744-F779 HydrophobicContact CE-CB 3.89Å; M744-F779 HydrophobicContact SD-CB 4.08Å; M744-F779 HydrophobicContact SD-CD2 4.26Å; L775-F779 VanDerWaalsContact O-CB 3.26Å; L775-F779 WeakPolarHBondContact O-CB 3.36Å; L775-F779 PolarHBondContact O-N 2.99Å; F779-A781 PolarHBondContact O-N 2.75Å; F779-R782 PolarHBondContact O-N 2.57Å; F779-K783 HydrophobicContact CD2-CG 4.32Å; F779-K783 HydrophobicContact CE1-CG 4.12Å; F779-K783 HydrophobicContact CE2-CD 4.44Å; F779-K783 HydrophobicContact CE2-CG 3.85Å; F779-K783 HydrophobicContact CZ-CD 4.39Å; F779-K783 HydrophobicContact CZ-CG 3.76Å; F779-K783 WeakPolarHBondContact O-CB 3.47Å; F779-K783 WeakPolarHBondContact O-CG 3.27Å; F779-K783 PolarHBondContact O-N 3.02Å
780A95.3Very high82.2Confident0 Ų042 Ų420%022%0.217CC..Hα-helixtrans-61.6-43.9179.500000111.2L549 F579 V617 P776 A777 R782 K783 S784 V797L549-A780 HydrophobicContact CD1-CB 3.88Å; F579-A780 HydrophobicContact CD2-CB 4.31Å; F579-A780 HydrophobicContact CE2-CB 4.26Å; V617-A780 HydrophobicContact CG2-CB 3.85Å; P776-A780 WeakPolarHBondContact O-CB 3.46Å; P776-A780 PolarHBondContact O-N 2.77Å; A777-A780 PolarHBondContact O-N 3.19Å; A780-R782 PolarHBondContact O-N 3.19Å; A780-K783 PolarHBondContact O-N 3.41Å; A780-K783 VanDerWaalsContact O-N 3.17Å; A780-S784 WeakPolarHBondContact O-CB 3.37Å; A780-S784 PolarHBondContact O-N 3.38Å; A780-S784 PolarHBondContact O-OG 3.29Å; A780-V797 HydrophobicContact CB-CB 4.43Å; A780-V797 HydrophobicContact CB-CG1 4.1Å; A780-V797 HydrophobicContact CB-CG2 4.01Å
781A94.7Very high80.2Confident0 Ų051.1 Ų51.10%026%0.256CS..Hα-helixtrans-61.5-33.8178.200000112.8A717 M725 A777 A778 F779 S784 G794 L795 V797A717-A781 HydrophobicContact CB-CB 3.82Å; M725-A781 HydrophobicContact CE-CB 4.42Å; A777-A781 WeakPolarHBondContact O-CB 3.2Å; A777-A781 PolarHBondContact O-N 3.33Å; A778-A781 PolarHBondContact O-N 3.48Å; F779-A781 PolarHBondContact O-N 2.75Å; A781-S784 PolarHBondContact O-OG 2.91Å; A781-G794 WeakPolarHBondContact O-CA 3.38Å; A781-L795 VanDerWaalsContact CA-O 3.26Å; A781-L795 WeakPolarHBondContact CA-O 3.48Å; A781-L795 WeakPolarHBondContact CB-O 3.44Å; A781-V797 HydrophobicContact CB-CB 4.01Å; A781-V797 HydrophobicContact CB-CG2 3.91Å
782R91.1Very high78.5Confident71 Ų7158.6 Ų58.627%0.26828%0.284SS..Hα-helixtrans-76.7-35.6176.3-170.964.9177.7159.110.1112.5W588 N723 M725 L745 A778 F779 A780W588-R782 HydrophobicContact CH2-CB 4.01Å; W588-R782 HydrophobicContact CH2-CG 3.46Å; W588-R782 VanDerWaalsContact CH2-CG 3.46Å; W588-R782 HydrophobicContact CZ2-CG 3.95Å; W588-R782 HydrophobicContact CZ3-CG 4.46Å; N723-R782 PolarHBondContact OD1-NH2 2.96Å; M725-R782 HydrophobicContact CE-CB 4.07Å; L745-R782 HydrophobicContact CD2-CB 4.08Å; L745-R782 HydrophobicContact CD2-CG 4.08Å; A778-R782 WeakPolarHBondContact O-CB 3.43Å; A778-R782 PolarHBondContact O-N 2.87Å; F779-R782 PolarHBondContact O-N 2.57Å; A780-R782 PolarHBondContact O-N 3.19Å
783K88.8Confident77.1Confident73 Ų7361.7 Ų61.732%0.31730%0.3SS..Hα-helixtrans-86.9-21.7-176.5-75.2-76.3-60.5-159.80114.1F579 D583 W588 F779 A780 V785F579-K783 HydrophobicContact CE1-CB 4.05Å; F579-K783 HydrophobicContact CE2-CB 4.24Å; F579-K783 HydrophobicContact CZ-CB 3.68Å; D583-K783 PolarHBondContact O-NZ 2.93Å; W588-K783 HydrophobicContact CH2-CD 4.31Å; W588-K783 HydrophobicContact CH2-CG 4.23Å; W588-K783 HydrophobicContact CZ3-CD 4.33Å; W588-K783 HydrophobicContact CZ3-CG 4.05Å; F779-K783 HydrophobicContact CD2-CG 4.32Å; F779-K783 HydrophobicContact CE1-CG 4.12Å; F779-K783 HydrophobicContact CE2-CD 4.44Å; F779-K783 HydrophobicContact CE2-CG 3.85Å; F779-K783 HydrophobicContact CZ-CD 4.39Å; F779-K783 HydrophobicContact CZ-CG 3.76Å; F779-K783 WeakPolarHBondContact O-CB 3.47Å; F779-K783 WeakPolarHBondContact O-CG 3.27Å; F779-K783 PolarHBondContact O-N 3.02Å; A780-K783 PolarHBondContact O-N 3.41Å; A780-K783 VanDerWaalsContact O-N 3.17Å; K783-V785 PolarHBondContact O-N 3.49Å
784S77.2Confident76.4Confident8 Ų862.1 Ų62.16%0.05631%0.305CS..  trans-72.568.7-179.455.10000111.5A780 A781 G794 L795A780-S784 WeakPolarHBondContact O-CB 3.37Å; A780-S784 PolarHBondContact O-N 3.38Å; A780-S784 PolarHBondContact O-OG 3.29Å; A781-S784 PolarHBondContact O-OG 2.91Å; S784-G794 WeakPolarHBondContact O-CA 3.27Å; S784-L795 PolarHBondContact O-N 3.14Å; S784-L795 PolarHBondContact OG-N 3.28Å; S784-L795 PolarHBondContact OG-O 3.35Å
785V65.4Low76.1Confident49 Ų4965.5 Ų65.530%0.29732%0.322SS..  trans-108.7134.6174.3-1660000108.1K783 S787 D789 R792K783-V785 PolarHBondContact O-N 3.49Å; V785-S787 PolarHBondContact O-N 3.34Å; V785-D789 VanDerWaalsContact CG1-O 3.3Å; V785-D789 WeakPolarHBondContact CG1-O 3.36Å; V785-R792 HydrophobicContact CG1-CB 3.8Å
786S50.3Low76Confident63 Ų6366.2 Ų66.244%0.44133%0.327SS..  trans-57.6128.3170.368.80000108.2F788S786-F788 PolarHBondContact O-N 2.85Å
787S45.5Very low76Confident113 Ų11366.2 Ų66.279%0.7933%0.327SS*.THydrogen-bonded Turntrans-50.311.5-167.539.20000119.3V785V785-S787 PolarHBondContact O-N 3.34Å
788F43.9Very low75.9Confident192 Ų19267.5 Ų67.584%0.84233%0.332SS*.THydrogen-bonded Turntrans-122.9-7-171.5-70.8-80.7000116.1S786S786-F788 PolarHBondContact O-N 2.85Å
789D52Low76Confident82 Ų8267.6 Ų67.644%0.43933%0.332SS..  trans-152.4107.4178.3-160.9-10.6000113.1V785 K791 R792V785-D789 VanDerWaalsContact CG1-O 3.3Å; V785-D789 WeakPolarHBondContact CG1-O 3.36Å; D789-K791 PolarHBondContact O-N 3.19Å; D789-K791 WeakPolarHBondContact OD1-CB 3.29Å; D789-K791 PolarHBondContact OD1-N 3.47Å; D789-R792 PolarHBondContact O-N 3.38Å; D789-R792 VanDerWaalsContact O-N 3.13Å
790E52.3Low76Confident201 Ų20169.8 Ų69.894%0.93935%0.347SS*.THydrogen-bonded Turntrans-60.1-12.9174.1-72-175.7159.800113.2
791K54.4Low76Confident190 Ų19070.1 Ų70.183%0.82635%0.349SS*.THydrogen-bonded Turntrans-89.9-5.6177.9-62.1-177178.6178.30114.4D789D789-K791 PolarHBondContact O-N 3.19Å; D789-K791 WeakPolarHBondContact OD1-CB 3.29Å; D789-K791 PolarHBondContact OD1-N 3.47Å
792R62.2Low75.9Confident165 Ų16573.2 Ų73.262%0.62336%0.364SS*.SBendtrans-79137177.2-111.7-179.9169.7173.2-1.2110.9V785 D789V785-R792 HydrophobicContact CG1-CB 3.8Å; D789-R792 PolarHBondContact O-N 3.38Å; D789-R792 VanDerWaalsContact O-N 3.13Å
793L66.4Low76Confident83 Ų8371.9 Ų71.944%0.43536%0.359SS..  trans-57.3139.3167.5-74.496.5000109.3G720 D721G720-L793 WeakPolarHBondContact O-CD2 3.45Å; D721-L793 WeakPolarHBondContact OD1-CD1 3.29Å
794G81.5Confident76.1Confident9 Ų969.3 Ų69.39%0.09335%0.347CS..  trans-64.117817300000112.2P719 A781 S784P719-G794 WeakPolarHBondContact CG-O 3.46Å; A781-G794 WeakPolarHBondContact O-CA 3.38Å; S784-G794 WeakPolarHBondContact O-CA 3.27Å
795L91.7Very high76.9Confident70 Ų7069.9 Ų69.937%0.36635%0.35SS..  trans-99.5148.3178.5-68.3173000111.5L547 A781 S784 V797L547-L795 HydrophobicContact CD1-CB 4.15Å; L547-L795 HydrophobicContact CD1-CD1 4Å; L547-L795 HydrophobicContact CG-CB 4.35Å; L547-L795 HydrophobicContact CG-CD1 4.31Å; A781-L795 VanDerWaalsContact CA-O 3.26Å; A781-L795 WeakPolarHBondContact CA-O 3.48Å; A781-L795 WeakPolarHBondContact CB-O 3.44Å; S784-L795 PolarHBondContact O-N 3.14Å; S784-L795 PolarHBondContact OG-N 3.28Å; S784-L795 PolarHBondContact OG-O 3.35Å; L795-V797 PolarHBondContact O-N 3.27Å
796P95.4Very high78.4Confident20 Ų2067.5 Ų67.513%0.1334%0.336CS..  trans-56.8140.4171.4-21.532.4000111.2I543 A546 L547 A717 I718I543-P796 HydrophobicContact CG2-CB 3.73Å; I543-P796 HydrophobicContact CG2-CG 3.94Å; A546-P796 CarbonylContact C-O 3.56Å; A546-P796 WeakPolarHBondContact CA-O 3.44Å; A546-P796 HydrophobicContact CB-CB 4.14Å; L547-P796 PolarHBondContact N-O 2.97Å; A717-P796 CarbonylContact O-C 3.31Å; A717-P796 WeakPolarHBondContact O-CA 3.3Å; I718-P796 HydrophobicContact CG1-CB 4.33Å; I718-P796 HydrophobicContact CG2-CG 4.33Å
797V97.2Very high80.5Confident0 Ų064.6 Ų64.60%032%0.315CS..EExtended strand (participates in β ladder)trans-126.3131176.9175.70000109.8L547 L549 I716 A717 A777 A780 A781 L795L547-V797 HydrophobicContact CB-CG2 4.26Å; L547-V797 WeakPolarHBondContact O-CA 3.4Å; L549-V797 HydrophobicContact CB-CG1 3.83Å; L549-V797 HydrophobicContact CD1-CG1 4.2Å; I716-V797 WeakPolarHBondContact CA-O 3.36Å; A717-V797 PolarHBondContact N-O 3.12Å; A717-V797 PolarHBondContact O-N 2.83Å; A777-V797 HydrophobicContact CB-CG1 4.45Å; A780-V797 HydrophobicContact CB-CB 4.43Å; A780-V797 HydrophobicContact CB-CG1 4.1Å; A780-V797 HydrophobicContact CB-CG2 4.01Å; A781-V797 HydrophobicContact CB-CB 4.01Å; A781-V797 HydrophobicContact CB-CG2 3.91Å; L795-V797 PolarHBondContact O-N 3.27Å
798R97.1Very high82.9Confident28 Ų2859.4 Ų59.411%0.10628%0.278CS..EExtended strand (participates in β ladder)trans-104.3135.8173.3176.6-174.4-61.6-143.8-1.2110.2D539 L541 L547 L549 C715 I716D539-R798 PolarHBondContact O-NH1 2.93Å; D539-R798 WeakPolarHBondContact OD1-CD 3.4Å; D539-R798 IonicContact OD1-CZ 3.92Å; D539-R798 IonicContact OD1-NE 2.75Å; D539-R798 IonicContact OD1-NH1 3.47Å; D539-R798 PolarHBondContact OD1-NH1 2.96Å; L541-R798 PolarHBondContact O-NH2 3.04Å; L547-R798 PolarHBondContact O-N 2.73Å; L549-R798 PolarHBondContact N-O 2.86Å; C715-R798 WeakPolarHBondContact O-CA 3.48Å; I716-R798 HydrophobicContact CG1-CB 4.41Å; I716-R798 HydrophobicContact CG1-CG 4.28Å
799C97.1Very high85.4Confident1 Ų150.9 Ų50.91%0.00724%0.241CC..EExtended strand (participates in β ladder)trans-126.9119.7167.5-177.10000108.5L549 F551 A714 C715 A777L549-C799 HydrophobicContact CB-CB 4.24Å; L549-C799 HydrophobicContact CD2-CB 4.34Å; F551-C799 WeakPolarHBondContact CE2-SG 3.38Å; F551-C799 VanDerWaalsContact CZ-SG 3.6Å; A714-C799 CarbonylContact C-O 3.3Å; A714-C799 VanDerWaalsContact CA-O 3.27Å; A714-C799 WeakPolarHBondContact CA-O 3.3Å; C715-C799 PolarHBondContact N-O 2.82Å; C715-C799 PolarHBondContact O-N 3.13Å; A777-C799 HydrophobicContact CB-CB 4.19Å
800C95.6Very high87.5Confident47 Ų4747.1 Ų47.132%0.31822%0.222SC..EExtended strand (participates in β ladder)trans-130.3119.6173.6-173.70000107.2A714A714-C800 HydrophobicContact CB-CB 4.42Å
801L96Very high89.5Confident8 Ų837.7 Ų37.74%0.04218%0.178CC..  trans-75.3139.9-177.3-67.6-174.1000111.4F551 T712 N713 V773 D805 D806 M809 T810F551-L801 HydrophobicContact CD2-CD2 3.65Å; F551-L801 HydrophobicContact CE2-CD2 3.49Å; F551-L801 VanDerWaalsContact CE2-CD2 3.49Å; T712-L801 WeakPolarHBondContact CB-O 3.45Å; T712-L801 WeakPolarHBondContact CG2-O 3.4Å; T712-L801 PolarHBondContact OG1-O 2.72Å; N713-L801 HydrophobicContact CB-CD1 3.99Å; N713-L801 HydrophobicContact CB-CG 4.37Å; N713-L801 PolarHBondContact O-N 2.62Å; V773-L801 HydrophobicContact CG1-CD1 3.79Å; V773-L801 HydrophobicContact CG1-CD2 4.13Å; V773-L801 HydrophobicContact CG1-CG 3.77Å; L801-D805 HydrophobicContact CD2-CB 4.36Å; L801-D806 HydrophobicContact CB-CB 4.05Å; L801-D806 HydrophobicContact CD1-CB 4.1Å; L801-M809 HydrophobicContact CD1-CE 4.36Å; L801-M809 HydrophobicContact CD1-SD 4.13Å; L801-M809 HydrophobicContact CD2-CE 4.28Å; L801-M809 HydrophobicContact CD2-SD 3.96Å; L801-T810 HydrophobicContact CD1-CG2 4.42Å
802E92.2Very high91.5Very high65 Ų6529.5 Ų29.530%0.30414%0.144SC..  trans-69.1154.2159.4-71.5-68.6131.900110.1R250 F804 D805 D806R250-E802 IonicContact CZ-OE1 3.71Å; R250-E802 IonicContact CZ-OE2 3.14Å; R250-E802 IonicContact NE-OE2 3.64Å; R250-E802 PolarHBondContact NE-OE2 3.02Å; R250-E802 IonicContact NH2-OE1 2.66Å; R250-E802 PolarHBondContact NH2-OE1 3.16Å; R250-E802 IonicContact NH2-OE2 3.92Å; R250-E802 PolarHBondContact NH2-OE2 2.75Å; R250-E802 VanDerWaalsContact NH2-OE2 3.11Å; E802-F804 HydrophobicContact CB-CD1 3.66Å; E802-F804 HydrophobicContact CB-CE1 3.32Å; E802-F804 HydrophobicContact CB-CG 4.47Å; E802-F804 HydrophobicContact CB-CZ 3.89Å; E802-F804 HydrophobicContact CG-CD1 4.46Å; E802-F804 HydrophobicContact CG-CE1 3.69Å; E802-F804 HydrophobicContact CG-CZ 4.16Å; E802-F804 PolarHBondContact O-N 2.91Å; E802-D805 PolarHBondContact O-N 3.02Å; E802-D805 VanDerWaalsContact O-N 3.14Å; E802-D806 WeakPolarHBondContact O-CB 3.32Å; E802-D806 PolarHBondContact O-N 2.66Å
803R93.1Very high93.2Very high43 Ų4321.7 Ų21.716%0.16212%0.115CC..Hα-helixtrans-57.3-38.6-178-179.757.167.5-173.4-0.7113.2F708 Y709 F710 D805 D806 M807F708-R803 HydrophobicContact CD2-CG 4.44Å; F708-R803 HydrophobicContact CE2-CG 3.71Å; F708-R803 HydrophobicContact CZ-CG 4.49Å; F708-R803 PolarHBondContact O-NH1 2.92Å; F708-R803 PolarHBondContact O-NH2 3.47Å; Y709-R803 VanDerWaalsContact O-CZ 3.23Å; Y709-R803 PolarHBondContact O-NH1 3.42Å; Y709-R803 PolarHBondContact O-NH2 3.41Å; F710-R803 PolarHBondContact O-NH2 3.38Å; F710-R803 VanDerWaalsContact O-NH2 3.08Å; R803-D805 VanDerWaalsContact C-N 3.32Å; R803-D806 IonicContact NH1-OD1 2.95Å; R803-D806 PolarHBondContact O-N 3.1Å; R803-M807 HydrophobicContact CG-CG 4.36Å; R803-M807 HydrophobicContact CG-SD 4.09Å; R803-M807 WeakPolarHBondContact O-CG 3.15Å; R803-M807 PolarHBondContact O-N 3.02Å; R803-M807 VanDerWaalsContact O-N 3.1Å
804F91.3Very high94.7Very high19 Ų1917.8 Ų17.88%0.0839%0.094CC..Hα-helixtrans-72.1-28.8-176.567.1-93.5000112.9F251 E802 V808 R1205F251-F804 HydrophobicContact CD1-CD1 4.18Å; F251-F804 HydrophobicContact CD1-CG 4.43Å; F251-F804 HydrophobicContact CE1-CB 4.22Å; F251-F804 AromaticContact CE1-CD1 3.68Å; F251-F804 HydrophobicContact CE1-CD1 3.68Å; F251-F804 HydrophobicContact CE1-CE1 4.37Å; F251-F804 HydrophobicContact CE1-CG 4.11Å; E802-F804 HydrophobicContact CB-CD1 3.66Å; E802-F804 HydrophobicContact CB-CE1 3.32Å; E802-F804 HydrophobicContact CB-CG 4.47Å; E802-F804 HydrophobicContact CB-CZ 3.89Å; E802-F804 HydrophobicContact CG-CD1 4.46Å; E802-F804 HydrophobicContact CG-CE1 3.69Å; E802-F804 HydrophobicContact CG-CZ 4.16Å; E802-F804 PolarHBondContact O-N 2.91Å; F804-V808 WeakPolarHBondContact O-CG1 3.48Å; F804-V808 WeakPolarHBondContact O-CG2 3.31Å; F804-R1205 WeakPolarHBondContact CA-O 3.39Å; F804-R1205 HydrophobicContact CB-CB 4.02Å; F804-R1205 VanDerWaalsContact CB-O 3.25Å; F804-R1205 WeakPolarHBondContact CB-O 3.4Å
805D93.8Very high95.4Very high19 Ų1918.8 Ų18.810%0.10210%0.099CC..Hα-helixtrans-77.2-44.6172.6-68.3-32.6000110.3L553 L801 E802 R803 M807 V808 M809L553-D805 HydrophobicContact CD1-CB 4.25Å; L553-D805 WeakPolarHBondContact CD1-OD1 3.43Å; L801-D805 HydrophobicContact CD2-CB 4.36Å; E802-D805 PolarHBondContact O-N 3.02Å; E802-D805 VanDerWaalsContact O-N 3.14Å; R803-D805 VanDerWaalsContact C-N 3.32Å; D805-M807 PolarHBondContact O-N 2.94Å; D805-V808 VanDerWaalsContact O-CG2 3.3Å; D805-V808 WeakPolarHBondContact O-CG2 3.3Å; D805-V808 PolarHBondContact O-N 3.44Å; D805-V808 VanDerWaalsContact O-N 3.12Å; D805-M809 HydrophobicContact CB-SD 4.09Å; D805-M809 WeakPolarHBondContact O-CB 3.14Å; D805-M809 WeakPolarHBondContact O-CG 3.3Å; D805-M809 PolarHBondContact O-N 3.45Å
806D96.5Very high95.5Very high0 Ų015.5 Ų15.50%08%0.082CC..Hα-helixtrans-51.4-55.2177.1-162.1-84.9000110.9Y709 T712 N713 L801 E802 R803 V808 M809 T810Y709-D806 WeakPolarHBondContact CE2-OD1 2.96Å; Y709-D806 VanDerWaalsContact CZ-OD1 3.28Å; Y709-D806 PolarHBondContact OH-OD1 2.87Å; T712-D806 WeakPolarHBondContact CB-OD2 3.19Å; T712-D806 HydrophobicContact CG2-CB 4.04Å; N713-D806 PolarHBondContact N-OD2 3.28Å; N713-D806 PolarHBondContact ND2-OD2 2.7Å; L801-D806 HydrophobicContact CB-CB 4.05Å; L801-D806 HydrophobicContact CD1-CB 4.1Å; E802-D806 WeakPolarHBondContact O-CB 3.32Å; E802-D806 PolarHBondContact O-N 2.66Å; R803-D806 IonicContact NH1-OD1 2.95Å; R803-D806 PolarHBondContact O-N 3.1Å; D806-V808 PolarHBondContact O-N 3.1Å; D806-V808 VanDerWaalsContact O-N 3.08Å; D806-M809 PolarHBondContact O-N 3.14Å; D806-T810 WeakPolarHBondContact O-CG2 3.35Å; D806-T810 PolarHBondContact O-N 2.97Å; D806-T810 PolarHBondContact O-OG1 2.59Å
807M95.8Very high95.5Very high1 Ų114.8 Ų14.81%0.0058%0.076CC..Hα-helixtrans-63.5-18.8-177.9-70.2-176.470.600115.6E706 F708 R803 D805 M1194 T1204 G1206 Y1210E706-M807 HydrophobicContact CB-CE 4.22Å; E706-M807 HydrophobicContact CG-CE 3.82Å; E706-M807 HydrophobicContact CG-CG 3.85Å; E706-M807 HydrophobicContact CG-SD 4.4Å; F708-M807 HydrophobicContact CD2-CE 4.35Å; F708-M807 HydrophobicContact CD2-CG 4.23Å; F708-M807 HydrophobicContact CD2-SD 3.73Å; F708-M807 HydrophobicContact CE2-CE 4.39Å; F708-M807 HydrophobicContact CE2-CG 4.45Å; F708-M807 HydrophobicContact CE2-SD 3.5Å; F708-M807 VanDerWaalsContact CE2-SD 3.5Å; R803-M807 HydrophobicContact CG-CG 4.36Å; R803-M807 HydrophobicContact CG-SD 4.09Å; R803-M807 WeakPolarHBondContact O-CG 3.15Å; R803-M807 PolarHBondContact O-N 3.02Å; R803-M807 VanDerWaalsContact O-N 3.1Å; D805-M807 PolarHBondContact O-N 2.94Å; M807-M1194 HydrophobicContact CE-SD 4.47Å; M807-T1204 WeakPolarHBondContact CE-O 3.26Å; M807-G1206 VanDerWaalsContact SD-CA 3.6Å; M807-G1206 PolarHBondContact SD-N 3.07Å; M807-Y1210 HydrophobicContact CE-CD1 4.17Å; M807-Y1210 HydrophobicContact CE-CD2 4.34Å; M807-Y1210 HydrophobicContact CE-CG 3.79Å
808V96Very high95.4Very high4 Ų414.9 Ų14.92%0.0248%0.077CC..Hα-helixtrans-101.8-9.5178.5-54.90000112.3L553 F609 F804 D805 D806 P880 I1202 R1205L553-V808 HydrophobicContact CD1-CG2 4.24Å; F609-V808 HydrophobicContact CD1-CB 4.15Å; F609-V808 HydrophobicContact CD1-CG1 4.22Å; F609-V808 HydrophobicContact CE1-CB 4.06Å; F609-V808 HydrophobicContact CE1-CG1 3.88Å; F609-V808 HydrophobicContact CE1-CG2 4.32Å; F804-V808 WeakPolarHBondContact O-CG1 3.48Å; F804-V808 WeakPolarHBondContact O-CG2 3.31Å; D805-V808 VanDerWaalsContact O-CG2 3.3Å; D805-V808 WeakPolarHBondContact O-CG2 3.3Å; D805-V808 PolarHBondContact O-N 3.44Å; D805-V808 VanDerWaalsContact O-N 3.12Å; D806-V808 PolarHBondContact O-N 3.1Å; D806-V808 VanDerWaalsContact O-N 3.08Å; V808-P880 WeakPolarHBondContact O-CG 3.49Å; V808-I1202 HydrophobicContact CB-CD1 4.32Å; V808-I1202 HydrophobicContact CG1-CB 4.25Å; V808-I1202 HydrophobicContact CG1-CD1 4.3Å; V808-I1202 HydrophobicContact CG1-CG2 4.39Å; V808-R1205 HydrophobicContact CG1-CG 3.74Å
809M96.6Very high95.2Very high13 Ų1316.1 Ų16.16%0.0648%0.082CC..Hα-helixtrans-106-40.4-177.7-68.9174.164.200112.8F551 L553 G610 I612 I772 L801 D805 D806F551-M809 HydrophobicContact CD2-CE 3.69Å; F551-M809 HydrophobicContact CD2-SD 4.07Å; F551-M809 HydrophobicContact CE2-CE 3.8Å; F551-M809 HydrophobicContact CG-CE 4.21Å; F551-M809 HydrophobicContact CZ-CE 4.39Å; L553-M809 HydrophobicContact CD1-CG 4.15Å; L553-M809 HydrophobicContact CD1-SD 3.92Å; L553-M809 HydrophobicContact CD2-CE 4.29Å; L553-M809 HydrophobicContact CD2-CG 4.18Å; L553-M809 HydrophobicContact CD2-SD 3.82Å; G610-M809 WeakPolarHBondContact O-CG 3.15Å; I612-M809 HydrophobicContact CD1-CE 3.72Å; I612-M809 HydrophobicContact CG1-CE 3.73Å; I772-M809 HydrophobicContact CD1-CB 3.9Å; I772-M809 HydrophobicContact CD1-CE 4.19Å; I772-M809 HydrophobicContact CG1-CE 4.25Å; L801-M809 HydrophobicContact CD1-CE 4.36Å; L801-M809 HydrophobicContact CD1-SD 4.13Å; L801-M809 HydrophobicContact CD2-CE 4.28Å; L801-M809 HydrophobicContact CD2-SD 3.96Å; D805-M809 HydrophobicContact CB-SD 4.09Å; D805-M809 WeakPolarHBondContact O-CB 3.14Å; D805-M809 WeakPolarHBondContact O-CG 3.3Å; D805-M809 PolarHBondContact O-N 3.45Å; D806-M809 PolarHBondContact O-N 3.14Å
810T96.2Very high95.2Very high4 Ų416.4 Ų16.43%0.0258%0.083CC..SBendtrans-90.1-8.4-161.157.40000114.6Y709 N713 A769 I772 L801 D806Y709-T810 PolarHBondContact OH-OG1 3.06Å; N713-T810 VanDerWaalsContact ND2-CG2 3.29Å; N713-T810 WeakPolarHBondContact ND2-CG2 3.43Å; A769-T810 HydrophobicContact CB-CG2 4.26Å; I772-T810 HydrophobicContact CD1-CG2 3.82Å; L801-T810 HydrophobicContact CD1-CG2 4.42Å; D806-T810 WeakPolarHBondContact O-CG2 3.35Å; D806-T810 PolarHBondContact O-N 2.97Å; D806-T810 PolarHBondContact O-OG1 2.59Å
811G93.7Very high95.2Very high2 Ų218.9 Ų18.92%0.0219%0.086CC..  trans72.5175.6-179.200000114S881G811-S881 WeakPolarHBondContact CA-O 3.42Å
812T95.9Very high95.2Very high19 Ų1918.6 Ų18.612%0.1178%0.084CC..  trans-125.3175.3-169.953.90000111.4Q705 E706 C882 T883 M1194Q705-T812 CarbonylContact O-C 3.58Å; Q705-T812 WeakPolarHBondContact O-CA 2.9Å; Q705-T812 VanDerWaalsContact O-CB 3.24Å; Q705-T812 WeakPolarHBondContact O-CB 3.48Å; E706-T812 VanDerWaalsContact OE2-CG2 3.3Å; E706-T812 WeakPolarHBondContact OE2-CG2 3.48Å; T812-C882 VanDerWaalsContact O-CA 3.27Å; T812-C882 WeakPolarHBondContact O-CA 3.34Å; T812-C882 VanDerWaalsContact O-CB 3.27Å; T812-C882 WeakPolarHBondContact O-CB 3.26Å; T812-T883 PolarHBondContact O-N 3.18Å; T812-M1194 HydrophobicContact CG2-CE 3.89Å; T812-M1194 HydrophobicContact CG2-CG 4.3Å; T812-M1194 HydrophobicContact CG2-SD 4.43Å
813R97.8Very high95.4Very high1 Ų115.5 Ų15.50%0.0047%0.07CC..BIsolated β-bridgetrans-56.4134.7157180-171.2-62-77.911.8109.7G704 Q705 P815 F885 R886 Q892G704-R813 WeakPolarHBondContact CA-O 3.37Å; Q705-R813 HydrophobicContact CB-CB 3.79Å; Q705-R813 PolarHBondContact O-N 3.09Å; R813-P815 WeakPolarHBondContact O-CD 3.43Å; R813-F885 HydrophobicContact CB-CB 3.81Å; R813-F885 HydrophobicContact CB-CD2 3.65Å; R813-F885 HydrophobicContact CB-CE2 4.35Å; R813-F885 HydrophobicContact CB-CG 3.92Å; R813-F885 HydrophobicContact CG-CB 4.16Å; R813-R886 PolarHBondContact NH1-O 3.26Å; R813-R886 PolarHBondContact NH2-O 3.18Å; R813-Q892 VanDerWaalsContact CG-NE2 3.29Å
814H97.5Very high95.5Very high1 Ų113.5 Ų13.51%0.0056%0.062CC..PPolyproline II helixtrans-54.6118.3175.7-61.467.1000113.2F816 N840 S848 V851 C882 Q892H814-F816 HydrophobicContact CB-CD2 4.07Å; H814-F816 HydrophobicContact CB-CE2 3.7Å; H814-F816 WeakPolarHBondContact O-CD2 3.29Å; H814-N840 PolarHBondContact CD2-O 3.29Å; H814-S848 PolarHBondContact NE2-OG 2.88Å; H814-V851 HydrophobicContact CB-CG1 4.35Å; H814-C882 HydrophobicContact CB-CB 4.45Å; H814-C882 VanDerWaalsContact CE1-C 3.46Å; H814-C882 VanDerWaalsContact CE1-CB 3.42Å; H814-C882 WeakPolarHBondContact CE1-CB 3.18Å; H814-C882 PolarHBondContact CE1-O 2.88Å; H814-C882 WeakPolarHBondContact NE2-CB 3.44Å; H814-Q892 PolarHBondContact O-NE2 3.3Å; H814-Q892 VanDerWaalsContact O-NE2 3.09Å
815P96.2Very high95.7Very high29 Ų2914.4 Ų14.419%0.1887%0.068CC..PPolyproline II helixtrans-62.7139.3161.7-16.625.9000111.6F702 R813 N840F702-P815 CarbonylContact O-C 3.53Å; F702-P815 VanDerWaalsContact O-CA 3.23Å; F702-P815 WeakPolarHBondContact O-CA 3.25Å; R813-P815 WeakPolarHBondContact O-CD 3.43Å; P815-N840 HydrophobicContact CB-CB 4.15Å; P815-N840 HydrophobicContact CG-CB 4.08Å; P815-N840 PolarHBondContact O-N 3.18Å
816F94.9Very high95.6Very high2 Ų218.3 Ų18.31%0.0099%0.086CC..EExtended strand (participates in β ladder)trans-121142.9177.2-87.3-132.1000111.2K701 F702 H814 H837 Y838 A839 L852 Q892K701-F816 WeakPolarHBondContact CA-O 3.29Å; F702-F816 HydrophobicContact CB-CB 3.94Å; F702-F816 PolarHBondContact N-O 3.45Å; F702-F816 PolarHBondContact O-N 2.99Å; H814-F816 HydrophobicContact CB-CD2 4.07Å; H814-F816 HydrophobicContact CB-CE2 3.7Å; H814-F816 WeakPolarHBondContact O-CD2 3.29Å; F816-H837 HydrophobicContact CD1-CB 3.89Å; F816-H837 AromaticContact CD1-ND1 3.95Å; F816-H837 HydrophobicContact CE1-CB 3.86Å; F816-Y838 WeakPolarHBondContact CA-O 3.43Å; F816-A839 HydrophobicContact CD2-CB 3.93Å; F816-A839 HydrophobicContact CE1-CB 4.24Å; F816-A839 HydrophobicContact CE2-CB 3.4Å; F816-A839 HydrophobicContact CZ-CB 3.58Å; F816-L852 HydrophobicContact CE1-CD1 4.27Å; F816-L852 HydrophobicContact CZ-CD1 4.21Å; F816-Q892 HydrophobicContact CB-CB 4.2Å; F816-Q892 HydrophobicContact CB-CG 4.45Å; F816-Q892 HydrophobicContact CD1-CB 3.8Å; F816-Q892 HydrophobicContact CD2-CB 3.83Å; F816-Q892 HydrophobicContact CD2-CG 3.8Å; F816-Q892 HydrophobicContact CE1-CB 4.05Å; F816-Q892 HydrophobicContact CE2-CB 4.1Å; F816-Q892 HydrophobicContact CE2-CG 4.17Å; F816-Q892 HydrophobicContact CG-CB 3.69Å; F816-Q892 HydrophobicContact CG-CG 4.08Å; F816-Q892 HydrophobicContact CZ-CB 4.2Å
817L94.3Very high95.5Very high4 Ų423 Ų232%0.02111%0.107CC..EExtended strand (participates in β ladder)trans-109.7124.5155.317267.4000107.2A648 K701 Y838A648-L817 HydrophobicContact CB-CD2 3.63Å; K701-L817 HydrophobicContact CG-CD1 3.87Å; L817-Y838 PolarHBondContact N-O 2.91Å; L817-Y838 WeakPolarHBondContact O-CD2 3.49Å; L817-Y838 PolarHBondContact O-N 2.92Å
818S94.9Very high95.4Very high2 Ų223 Ų231%0.01411%0.107CC..EExtended strand (participates in β ladder)trans-118.8125.6179.5-57.60000109.2D699 V700 D836 H837D699-S818 WeakPolarHBondContact CA-O 3.32Å; V700-S818 PolarHBondContact N-O 2.86Å; V700-S818 PolarHBondContact O-N 3.24Å; S818-D836 WeakPolarHBondContact CA-O 3.38Å; S818-H837 PolarHBondContact OG-ND1 2.82Å
819R94.4Very high95.3Very high55 Ų5526.4 Ų26.421%0.20812%0.123CC..EExtended strand (participates in β ladder)trans-108.3120.6173.1-59.2-150.7168.5124.80.9109.1D699 V835 D836 Y838D699-R819 WeakPolarHBondContact OD1-CB 3.13Å; D699-R819 WeakPolarHBondContact OD1-CD 3.32Å; D699-R819 WeakPolarHBondContact OD1-CG 3.22Å; D699-R819 IonicContact OD1-NE 3.09Å; D699-R819 IonicContact OD2-NE 2.97Å; D699-R819 PolarHBondContact OD2-NE 2.85Å; R819-V835 CarbonylContact O-C 3.55Å; R819-V835 VanDerWaalsContact O-CA 3.28Å; R819-V835 WeakPolarHBondContact O-CA 3.49Å; R819-D836 PolarHBondContact N-O 3.26Å; R819-D836 PolarHBondContact O-N 2.9Å; R819-Y838 HydrophobicContact CG-CE2 4.4Å
820Y95.7Very high95.3Very high6 Ų626.1 Ų26.12%0.02412%0.122CC..EExtended strand (participates in β ladder)trans-119.7152.3-176.870.6-98.8000111.9L696 S697 G698 Y833 C834 C900 D903L696-Y820 HydrophobicContact CD2-CE2 3.6Å; S697-Y820 WeakPolarHBondContact CA-O 3.24Å; G698-Y820 PolarHBondContact N-O 3.48Å; G698-Y820 WeakPolarHBondContact O-CD1 3.46Å; G698-Y820 PolarHBondContact O-N 3.22Å; Y820-Y833 HydrophobicContact CG-CE2 4.33Å; Y820-C834 CarbonylContact C-O 3.56Å; Y820-C834 WeakPolarHBondContact CA-O 3.5Å; Y820-C900 HydrophobicContact CD2-CB 3.62Å; Y820-C900 HydrophobicContact CE1-CB 4.45Å; Y820-C900 HydrophobicContact CE2-CB 3.57Å; Y820-C900 HydrophobicContact CG-CB 4.13Å; Y820-D903 PolarHBondContact OH-OD2 3Å
821R95.9Very high95.2Very high100 Ų10028 Ų2838%0.37713%0.133SC..EExtended strand (participates in β ladder)trans-139.1140.3170.1-52.8173.8-91174.2-6.3108.8L689 L696 S697 C834L689-R821 HydrophobicContact CD2-CB 4.09Å; L696-R821 CarbonylContact O-C 3.53Å; L696-R821 VanDerWaalsContact O-CA 3.29Å; L696-R821 WeakPolarHBondContact O-CA 3.28Å; S697-R821 WeakPolarHBondContact OG-CG 3.38Å; R821-C834 PolarHBondContact N-O 3.36Å; R821-C834 PolarHBondContact NE-SG 2.7Å; R821-C834 PolarHBondContact O-N 2.79Å
822C96.3Very high95.4Very high1 Ų127.9 Ų27.91%0.00713%0.132CC..EExtended strand (participates in β ladder)trans-141.9159.5-18066.70000112.2A695 L696 I830 S832 Y833 C900A695-C822 VanDerWaalsContact CA-O 3.3Å; A695-C822 WeakPolarHBondContact CA-O 3.38Å; L696-C822 PolarHBondContact N-O 3.08Å; L696-C822 PolarHBondContact O-N 3.07Å; C822-I830 HydrophobicContact CB-CG2 4.18Å; C822-S832 CarbonylContact C-O 3.5Å; C822-S832 WeakPolarHBondContact CA-O 3.41Å; C822-S832 VanDerWaalsContact CB-O 3.25Å; C822-S832 WeakPolarHBondContact CB-O 3.5Å; C822-Y833 HydrophobicContact CB-CD2 4.38Å; C822-C900 PolarHBondContact SG-SG 3.17Å
823T96.8Very high95.4Very high1 Ų127 Ų271%0.00613%0.126CC..EExtended strand (participates in β ladder)trans-124.1146.7165.563.60000110.2C688 L689 H694 A695 V831 S832C688-T823 PolarHBondContact O-OG1 3.29Å; L689-T823 VanDerWaalsContact O-CG2 3.27Å; L689-T823 WeakPolarHBondContact O-CG2 3.26Å; H694-T823 VanDerWaalsContact O-CA 3.25Å; H694-T823 WeakPolarHBondContact O-CA 3.48Å; H694-T823 WeakPolarHBondContact O-CB 3.46Å; A695-T823 HydrophobicContact CB-CG2 4.09Å; T823-V831 PolarHBondContact O-N 2.85Å; T823-S832 PolarHBondContact N-O 3.26Å; T823-S832 PolarHBondContact N-OG 2.81Å; T823-S832 PolarHBondContact O-N 3.08Å; T823-S832 WeakPolarHBondContact OG1-CB 3.25Å; T823-S832 PolarHBondContact OG1-N 2.84Å; T823-S832 PolarHBondContact OG1-OG 2.86Å
824F95.9Very high95.3Very high0 Ų027 Ų270%013%0.126CC..EExtended strand (participates in β ladder)trans-151.8160.2-173.451.7-85000111.6H694 L696 E829 I830 V904 H907 L908H694-F824 HydrophobicContact CB-CD1 4.37Å; H694-F824 HydrophobicContact CB-CD2 3.7Å; H694-F824 HydrophobicContact CB-CE1 4.01Å; H694-F824 HydrophobicContact CB-CE2 3.29Å; H694-F824 HydrophobicContact CB-CG 4.23Å; H694-F824 HydrophobicContact CB-CZ 3.48Å; H694-F824 VanDerWaalsContact CB-CZ 3.48Å; H694-F824 AromaticContact CG-CE2 3.84Å; H694-F824 PolarHBondContact O-N 3.34Å; H694-F824 VanDerWaalsContact O-N 3.15Å; L696-F824 HydrophobicContact CB-CE1 3.8Å; L696-F824 HydrophobicContact CB-CZ 4.41Å; F824-E829 WeakPolarHBondContact CA-O 3.33Å; F824-E829 VanDerWaalsContact CB-O 3.29Å; F824-E829 WeakPolarHBondContact CB-O 3.44Å; F824-I830 HydrophobicContact CB-CG1 4.43Å; F824-V904 HydrophobicContact CB-CG1 4.31Å; F824-V904 HydrophobicContact CD1-CB 4.49Å; F824-V904 HydrophobicContact CD1-CG1 4.1Å; F824-V904 HydrophobicContact CD1-CG2 3.61Å; F824-V904 HydrophobicContact CD2-CG1 3.68Å; F824-V904 HydrophobicContact CE1-CG1 4.36Å; F824-V904 HydrophobicContact CE1-CG2 3.69Å; F824-V904 HydrophobicContact CE2-CG1 3.94Å; F824-V904 HydrophobicContact CG-CG1 3.76Å; F824-V904 HydrophobicContact CG-CG2 4.14Å; F824-V904 HydrophobicContact CZ-CG1 4.27Å; F824-V904 HydrophobicContact CZ-CG2 4.22Å; F824-H907 AromaticContact CZ-CD2 3.84Å; F824-L908 HydrophobicContact CD2-CD1 3.93Å; F824-L908 HydrophobicContact CD2-CG 4.41Å; F824-L908 HydrophobicContact CE2-CD1 3.95Å; F824-L908 HydrophobicContact CE2-CD2 4.05Å; F824-L908 HydrophobicContact CE2-CG 3.92Å
825N94.3Very high95.3Very high38 Ų3826.9 Ų26.920%0.20313%0.126CC..  trans-88.7176.6175.568.415000112.1Q827 G828 E829N825-Q827 PolarHBondContact O-N 3.29Å; N825-Q827 VanDerWaalsContact O-N 3.14Å; N825-Q827 WeakPolarHBondContact OD1-CA 3.31Å; N825-Q827 WeakPolarHBondContact OD1-CB 2.96Å; N825-Q827 PolarHBondContact OD1-N 2.88Å; N825-Q827 PolarHBondContact OD1-OE1 3.36Å; N825-G828 WeakPolarHBondContact O-CA 3.48Å; N825-G828 PolarHBondContact O-N 3.43Å; N825-G828 PolarHBondContact OD1-N 2.97Å; N825-G828 VanDerWaalsContact OD1-N 3.12Å; N825-E829 PolarHBondContact N-O 3Å; N825-E829 VanDerWaalsContact N-O 3.15Å; N825-E829 PolarHBondContact ND2-OE2 3.41Å; N825-E829 WeakPolarHBondContact OD1-CB 3.09Å; N825-E829 PolarHBondContact OD1-N 3.06Å
826Q93.1Very high95.2Very high102 Ų10226.8 Ų26.848%0.47712%0.124SC..THydrogen-bonded Turntrans-61.3-21.6179.3-166.262.824.500113.4H694 G828H694-Q826 PolarHBondContact NE2-OE1 3.1Å; Q826-G828 VanDerWaalsContact C-N 3.27Å
827Q92.5Very high95.2Very high98 Ų9826.8 Ų26.846%0.45812%0.124SC..THydrogen-bonded Turntrans-85.42.2174.2-61.972.126.200112N825 E829 R918N825-Q827 PolarHBondContact O-N 3.29Å; N825-Q827 VanDerWaalsContact O-N 3.14Å; N825-Q827 WeakPolarHBondContact OD1-CA 3.31Å; N825-Q827 WeakPolarHBondContact OD1-CB 2.96Å; N825-Q827 PolarHBondContact OD1-N 2.88Å; N825-Q827 PolarHBondContact OD1-OE1 3.36Å; Q827-E829 VanDerWaalsContact C-N 3.25Å; Q827-E829 HydrophobicContact CB-CG 4.41Å; Q827-E829 PolarHBondContact O-N 3.09Å; Q827-R918 PolarHBondContact O-NH1 3.42Å
828G93.9Very high95.2Very high0 Ų027.6 Ų27.60%013%0.127CC..  trans74.410.1-179.600000114.4N825 Q826 I830 L908 V915N825-G828 WeakPolarHBondContact O-CA 3.48Å; N825-G828 PolarHBondContact O-N 3.43Å; N825-G828 PolarHBondContact OD1-N 2.97Å; N825-G828 VanDerWaalsContact OD1-N 3.12Å; Q826-G828 VanDerWaalsContact C-N 3.27Å; G828-I830 PolarHBondContact O-N 3.48Å; G828-L908 VanDerWaalsContact CA-CD1 3.41Å; G828-V915 WeakPolarHBondContact O-CG1 3.37Å
829E94.9Very high95.2Very high77 Ų7727.6 Ų27.636%0.3613%0.127SC..  trans-70.6119.1173.9-57.7176.6141.400109F824 N825 Q827 V831 R918 I919F824-E829 WeakPolarHBondContact CA-O 3.33Å; F824-E829 VanDerWaalsContact CB-O 3.29Å; F824-E829 WeakPolarHBondContact CB-O 3.44Å; N825-E829 PolarHBondContact N-O 3Å; N825-E829 VanDerWaalsContact N-O 3.15Å; N825-E829 PolarHBondContact ND2-OE2 3.41Å; N825-E829 WeakPolarHBondContact OD1-CB 3.09Å; N825-E829 PolarHBondContact OD1-N 3.06Å; Q827-E829 VanDerWaalsContact C-N 3.25Å; Q827-E829 HydrophobicContact CB-CG 4.41Å; Q827-E829 PolarHBondContact O-N 3.09Å; E829-V831 PolarHBondContact O-N 3.49Å; E829-R918 HydrophobicContact CG-CB 4.11Å; E829-I919 HydrophobicContact CB-CG2 4.21Å; E829-I919 HydrophobicContact CG-CG2 4.48Å
830I95.9Very high95.2Very high7 Ų725.3 Ų25.34%0.03612%0.119CC..EExtended strand (participates in β ladder)trans-76.6117.1-179.4-60.7176.2000108.9C822 F824 G828 S832 I865 L897 I901 V904 I919C822-I830 HydrophobicContact CB-CG2 4.18Å; F824-I830 HydrophobicContact CB-CG1 4.43Å; G828-I830 PolarHBondContact O-N 3.48Å; I830-S832 WeakPolarHBondContact CG2-O 3.39Å; I830-I865 HydrophobicContact CG2-CD1 4.21Å; I830-I865 HydrophobicContact CG2-CG2 4.3Å; I830-L897 HydrophobicContact CD1-CD1 4.42Å; I830-I901 HydrophobicContact CD1-CG1 3.64Å; I830-V904 HydrophobicContact CD1-CG2 4.37Å; I830-V904 HydrophobicContact CG1-CG2 4.43Å; I830-I919 HydrophobicContact CB-CD1 4.49Å; I830-I919 HydrophobicContact CD1-CD1 4.29Å; I830-I919 HydrophobicContact CG1-CD1 4.47Å
831V95.2Very high95.1Very high43 Ų4325 Ų2526%0.26112%0.118SC..EExtended strand (participates in β ladder)trans-93.8-41.9-177.81770000110.8C692 T823 E829 H867C692-V831 VanDerWaalsContact SG-CB 3.57Å; T823-V831 PolarHBondContact O-N 2.85Å; E829-V831 PolarHBondContact O-N 3.49Å; V831-H867 PolarHBondContact O-N 3.47Å; V831-H867 VanDerWaalsContact O-N 3.12Å
832S96.3Very high95.1Very high0 Ų020.3 Ų20.30%010%0.1CC..EExtended strand (participates in β ladder)trans-126.5143.2173.181.10000112.2C688 C822 T823 I830 H867C688-S832 PolarHBondContact O-OG 3.39Å; C822-S832 CarbonylContact C-O 3.5Å; C822-S832 WeakPolarHBondContact CA-O 3.41Å; C822-S832 VanDerWaalsContact CB-O 3.25Å; C822-S832 WeakPolarHBondContact CB-O 3.5Å; T823-S832 PolarHBondContact N-O 3.26Å; T823-S832 PolarHBondContact N-OG 2.81Å; T823-S832 PolarHBondContact O-N 3.08Å; T823-S832 WeakPolarHBondContact OG1-CB 3.25Å; T823-S832 PolarHBondContact OG1-N 2.84Å; T823-S832 PolarHBondContact OG1-OG 2.86Å; I830-S832 WeakPolarHBondContact CG2-O 3.39Å; S832-H867 CarbonylContact C-O 3.47Å; S832-H867 VanDerWaalsContact CA-O 3.24Å; S832-H867 WeakPolarHBondContact CA-O 3.47Å
833Y96.8Very high95Very high0 Ų020.8 Ų20.80%010%0.103CC..EExtended strand (participates in β ladder)trans-143124.8174.4173.8-107000109.8W684 Y820 C822 V835 I865 H867 F868 R869 A896 L897 C900W684-Y833 WeakPolarHBondContact CZ3-O 3.36Å; Y820-Y833 HydrophobicContact CG-CE2 4.33Å; C822-Y833 HydrophobicContact CB-CD2 4.38Å; Y833-V835 HydrophobicContact CE1-CB 3.97Å; Y833-V835 HydrophobicContact CE1-CG1 3.61Å; Y833-V835 HydrophobicContact CE2-CB 4.44Å; Y833-V835 WeakPolarHBondContact OH-CB 3.31Å; Y833-I865 HydrophobicContact CD1-CD1 4.3Å; Y833-I865 HydrophobicContact CG-CD1 4.16Å; Y833-H867 PolarHBondContact N-O 3.3Å; Y833-F868 AromaticContact CD1-CD2 3.78Å; Y833-F868 HydrophobicContact CD1-CD2 3.78Å; Y833-F868 AromaticContact CD1-CE2 3.59Å; Y833-F868 HydrophobicContact CD1-CE2 3.59Å; Y833-F868 HydrophobicContact CD1-CZ 4.5Å; Y833-F868 AromaticContact CE1-CE2 3.92Å; Y833-F868 HydrophobicContact CE1-CE2 3.92Å; Y833-F868 WeakPolarHBondContact O-CA 3.45Å; Y833-R869 PolarHBondContact O-N 2.76Å; Y833-A896 WeakPolarHBondContact OH-CB 3.38Å; Y833-L897 HydrophobicContact CD1-CD1 4.23Å; Y833-L897 HydrophobicContact CD2-CD1 3.85Å; Y833-L897 HydrophobicContact CE1-CB 4.23Å; Y833-L897 HydrophobicContact CE1-CD1 4.19Å; Y833-L897 HydrophobicContact CE2-CB 4.39Å; Y833-L897 HydrophobicContact CE2-CD1 3.81Å; Y833-L897 HydrophobicContact CG-CD1 4.05Å; Y833-L897 PolarHBondContact OH-N 3.01Å; Y833-C900 HydrophobicContact CE2-CB 4.05Å
834C96.4Very high94.9Very high0 Ų020.8 Ų20.80%010%0.103CC..EExtended strand (participates in β ladder)trans-120.9145.2164.572.60000112.1W684 Y820 R821 R869W684-C834 HydrophobicContact CH2-CB 3.43Å; W684-C834 VanDerWaalsContact CH2-CB 3.43Å; W684-C834 HydrophobicContact CZ2-CB 3.72Å; W684-C834 HydrophobicContact CZ3-CB 4.02Å; Y820-C834 CarbonylContact C-O 3.56Å; Y820-C834 WeakPolarHBondContact CA-O 3.5Å; R821-C834 PolarHBondContact N-O 3.36Å; R821-C834 PolarHBondContact NE-SG 2.7Å; R821-C834 PolarHBondContact O-N 2.79Å; C834-R869 CarbonylContact C-O 3.47Å; C834-R869 WeakPolarHBondContact CA-O 3.31Å; C834-R869 HydrophobicContact CB-CB 4.16Å
835V96.3Very high94.8Very high0 Ų022.5 Ų22.50%011%0.11CC..EExtended strand (participates in β ladder)trans-141135.517561.60000111.5R819 Y833 H837 R869 A870 S871 A896R819-V835 CarbonylContact O-C 3.55Å; R819-V835 VanDerWaalsContact O-CA 3.28Å; R819-V835 WeakPolarHBondContact O-CA 3.49Å; Y833-V835 HydrophobicContact CE1-CB 3.97Å; Y833-V835 HydrophobicContact CE1-CG1 3.61Å; Y833-V835 HydrophobicContact CE2-CB 4.44Å; Y833-V835 WeakPolarHBondContact OH-CB 3.31Å; V835-H837 WeakPolarHBondContact CG1-NE2 3.35Å; V835-H837 VanDerWaalsContact CG2-CE1 3.47Å; V835-H837 WeakPolarHBondContact CG2-CE1 3.44Å; V835-R869 PolarHBondContact N-O 2.94Å; V835-A870 HydrophobicContact CG1-CB 3.82Å; V835-A870 WeakPolarHBondContact O-CA 3.47Å; V835-S871 PolarHBondContact O-N 3.03Å; V835-A896 HydrophobicContact CG2-CB 4Å
836D94.7Very high94.9Very high27 Ų2721.2 Ų21.214%0.14410%0.103CC..EExtended strand (participates in β ladder)trans-110.1113.3172-58.8-48.6000109.1S818 R819 Y838 R869 S871S818-D836 WeakPolarHBondContact CA-O 3.38Å; R819-D836 PolarHBondContact N-O 3.26Å; R819-D836 PolarHBondContact O-N 2.9Å; D836-Y838 HydrophobicContact CB-CE2 4.01Å; D836-R869 IonicContact OD1-NH1 2.85Å; D836-S871 PolarHBondContact OD1-OG 3.42Å
837H94.9Very high95Very high1 Ų117.5 Ų17.51%0.0059%0.086CC..EExtended strand (participates in β ladder)trans-95.2132.4179.3-62.2-68.4000111.7F816 S818 V835 S859 S871 G872 K873F816-H837 HydrophobicContact CD1-CB 3.89Å; F816-H837 AromaticContact CD1-ND1 3.95Å; F816-H837 HydrophobicContact CE1-CB 3.86Å; S818-H837 PolarHBondContact OG-ND1 2.82Å; V835-H837 WeakPolarHBondContact CG1-NE2 3.35Å; V835-H837 VanDerWaalsContact CG2-CE1 3.47Å; V835-H837 WeakPolarHBondContact CG2-CE1 3.44Å; H837-S859 PolarHBondContact NE2-OG 2.79Å; H837-S871 WeakPolarHBondContact CB-O 3.43Å; H837-S871 PolarHBondContact CD2-O 3.1Å; H837-S871 PolarHBondContact N-O 3Å; H837-G872 CarbonylContact O-C 3.54Å; H837-G872 WeakPolarHBondContact O-CA 3.25Å; H837-K873 PolarHBondContact O-N 3.02Å
838Y93.9Very high95.2Very high22 Ų2212.9 Ų12.99%0.0867%0.065CC..EExtended strand (participates in β ladder)trans-117.9102.6173.6-59-91.3000108.6A648 L651 F816 L817 R819 D836 K873A648-Y838 HydrophobicContact CB-CD1 4.31Å; A648-Y838 HydrophobicContact CB-CD2 4.36Å; A648-Y838 HydrophobicContact CB-CE1 4.37Å; A648-Y838 HydrophobicContact CB-CE2 4.44Å; A648-Y838 HydrophobicContact CB-CG 4.31Å; L651-Y838 HydrophobicContact CD1-CD1 4.41Å; L651-Y838 HydrophobicContact CD1-CE1 3.63Å; F816-Y838 WeakPolarHBondContact CA-O 3.43Å; L817-Y838 PolarHBondContact N-O 2.91Å; L817-Y838 WeakPolarHBondContact O-CD2 3.49Å; L817-Y838 PolarHBondContact O-N 2.92Å; R819-Y838 HydrophobicContact CG-CE2 4.4Å; D836-Y838 HydrophobicContact CB-CE2 4.01Å; Y838-K873 HydrophobicContact CD1-CB 4.27Å; Y838-K873 HydrophobicContact CE1-CD 4.15Å
839A94.3Very high95.3Very high1 Ų114.1 Ų14.11%0.0087%0.073CC..EExtended strand (participates in β ladder)trans-90.3127.1-178.600000110.2F816 C841 L852 K873 C875F816-A839 HydrophobicContact CD2-CB 3.93Å; F816-A839 HydrophobicContact CE1-CB 4.24Å; F816-A839 HydrophobicContact CE2-CB 3.4Å; F816-A839 HydrophobicContact CZ-CB 3.58Å; A839-C841 PolarHBondContact O-N 2.99Å; A839-L852 HydrophobicContact CB-CD1 4.14Å; A839-K873 PolarHBondContact N-O 3.25Å; A839-C875 WeakPolarHBondContact O-CA 3.25Å; A839-C875 VanDerWaalsContact O-CB 3.22Å; A839-C875 WeakPolarHBondContact O-CB 3.44Å; A839-C875 PolarHBondContact O-N 3.22Å
840N94.3Very high95.2Very high7 Ų711.4 Ų11.44%0.0377%0.065CC..EExtended strand (participates in β ladder)trans-77.2118.4167.7-169.4-16.3000109.1T644 H814 P815 G842 T877T644-N840 HydrophobicContact CG2-CB 3.58Å; H814-N840 PolarHBondContact CD2-O 3.29Å; P815-N840 HydrophobicContact CB-CB 4.15Å; P815-N840 HydrophobicContact CG-CB 4.08Å; P815-N840 PolarHBondContact O-N 3.18Å; N840-G842 PolarHBondContact OD1-N 2.92Å; N840-G842 VanDerWaalsContact OD1-N 3.11Å; N840-T877 WeakPolarHBondContact OD1-CB 3.11Å; N840-T877 WeakPolarHBondContact OD1-CG2 3.35Å; N840-T877 PolarHBondContact OD1-OG1 3.34Å
841C95.3Very high95.3Very high1 Ų111.1 Ų11.11%0.0076%0.064CC..EExtended strand (participates in β ladder)trans-98-13.2-176.5-62.90000113.6F674 A839 S848 M874 C875 C882F674-C841 HydrophobicContact CD2-CB 3.78Å; F674-C841 HydrophobicContact CE2-CB 3.73Å; A839-C841 PolarHBondContact O-N 2.99Å; C841-S848 WeakPolarHBondContact CB-OG 3.42Å; C841-S848 VanDerWaalsContact SG-CB 3.5Å; C841-S848 PolarHBondContact SG-OG 2.81Å; C841-M874 VanDerWaalsContact SG-CB 3.55Å; C841-C875 WeakPolarHBondContact CB-O 3.44Å; C841-C875 PolarHBondContact N-O 3.1Å; C841-C882 PolarHBondContact O-N 2.81Å
842G94.8Very high95.3Very high0 Ų09 Ų90%05%0.051CC..EExtended strand (participates in β ladder)trans75.7-152.6-168.200000112.3N840 T877 L879N840-G842 PolarHBondContact OD1-N 2.92Å; N840-G842 VanDerWaalsContact OD1-N 3.11Å; G842-T877 CarbonylContact C-O 3.6Å; G842-T877 VanDerWaalsContact CA-OG1 3.32Å; G842-T877 WeakPolarHBondContact CA-OG1 3.29Å; G842-T877 PolarHBondContact O-N 3.12Å; G842-T877 VanDerWaalsContact O-O 3.05Å; G842-L879 CarbonylContact C-O 3.54Å; G842-L879 WeakPolarHBondContact CA-O 3.44Å
843S93.9Very high95.2Very high11 Ų1110.4 Ų10.48%0.0776%0.057CC..SBendtrans-79.1-20.7-169.859.30000115F608 T877 L879F608-S843 WeakPolarHBondContact CD1-OG 3.41Å; F608-S843 WeakPolarHBondContact CE1-OG 3.35Å; S843-T877 VanDerWaalsContact CA-O 3.27Å; S843-T877 WeakPolarHBondContact CA-O 3.12Å; S843-T877 PolarHBondContact N-O 3.42Å; S843-L879 WeakPolarHBondContact CB-O 3.49Å; S843-L879 PolarHBondContact N-O 3.11Å; S843-L879 PolarHBondContact OG-O 3.15Å
844S94.8Very high95.1Very high2 Ų210.9 Ų10.91%0.0146%0.059CC..SBendtrans-135.4171.8-176.294.40000112.3D597 Q598 F674 D846 S881D597-S844 WeakPolarHBondContact OD2-CA 3.37Å; D597-S844 VanDerWaalsContact OD2-CB 3.26Å; D597-S844 WeakPolarHBondContact OD2-CB 3.31Å; Q598-S844 VanDerWaalsContact CD-OG 3.31Å; Q598-S844 VanDerWaalsContact CG-OG 3.29Å; Q598-S844 WeakPolarHBondContact CG-OG 3.17Å; Q598-S844 PolarHBondContact NE2-OG 2.97Å; Q598-S844 VanDerWaalsContact NE2-OG 3.14Å; F674-S844 VanDerWaalsContact CE2-O 3.3Å; F674-S844 WeakPolarHBondContact CE2-O 3.35Å; S844-D846 PolarHBondContact OG-N 2.92Å; S844-S881 PolarHBondContact O-OG 2.9Å; S844-S881 VanDerWaalsContact OG-CB 3.26Å; S844-S881 WeakPolarHBondContact OG-CB 3.38Å; S844-S881 PolarHBondContact OG-OG 3.37Å
845Y95.1Very high95.2Very high35 Ų3510.9 Ų10.914%0.1376%0.059CC..  trans-67.4-47.7175.8-82.5-86000112.2H595 D597 F674 D675 L847 S848 V849 M874H595-Y845 HydrophobicContact CB-CD2 3.95Å; H595-Y845 HydrophobicContact CB-CG 4.3Å; H595-Y845 AromaticContact CG-CD2 3.92Å; H595-Y845 AromaticContact CG-CG 3.84Å; H595-Y845 WeakPolarHBondContact ND1-CB 3.33Å; H595-Y845 AromaticContact ND1-CG 3.75Å; D597-Y845 VanDerWaalsContact OD2-CD2 3.31Å; D597-Y845 WeakPolarHBondContact OD2-CD2 3.44Å; D597-Y845 PolarHBondContact OD2-N 3.08Å; F674-Y845 HydrophobicContact CB-CD1 4.23Å; F674-Y845 HydrophobicContact CB-CE1 3.58Å; F674-Y845 HydrophobicContact CB-CE2 4.37Å; F674-Y845 HydrophobicContact CD1-CD1 4.45Å; F674-Y845 AromaticContact CD1-CD2 3.84Å; F674-Y845 HydrophobicContact CD1-CD2 3.84Å; F674-Y845 HydrophobicContact CD1-CE1 4.14Å; F674-Y845 AromaticContact CD1-CE2 3.44Å; F674-Y845 HydrophobicContact CD1-CE2 3.44Å; F674-Y845 VanDerWaalsContact CD1-CE2 3.44Å; F674-Y845 HydrophobicContact CD1-CG 4.32Å; F674-Y845 AromaticContact CD1-CZ 3.61Å; F674-Y845 HydrophobicContact CE1-CD2 4.04Å; F674-Y845 AromaticContact CE1-CE2 3.99Å; F674-Y845 HydrophobicContact CE1-CE2 3.99Å; F674-Y845 HydrophobicContact CG-CD1 4.25Å; F674-Y845 HydrophobicContact CG-CD2 4.42Å; F674-Y845 AromaticContact CG-CE1 3.98Å; F674-Y845 HydrophobicContact CG-CE1 3.98Å; F674-Y845 HydrophobicContact CG-CE2 4.13Å; F674-Y845 HydrophobicContact CG-CG 4.47Å; F674-Y845 AromaticContact CG-CZ 3.89Å; D675-Y845 WeakPolarHBondContact CB-OH 3.37Å; D675-Y845 PolarHBondContact N-OH 3.19Å; D675-Y845 PolarHBondContact O-OH 3.25Å; Y845-L847 PolarHBondContact O-N 3.47Å; Y845-S848 WeakPolarHBondContact O-CA 3.46Å; Y845-S848 WeakPolarHBondContact O-CB 3.46Å; Y845-S848 PolarHBondContact O-N 3.28Å; Y845-S848 PolarHBondContact O-OG 2.66Å; Y845-V849 HydrophobicContact CD1-CG2 3.97Å; Y845-V849 HydrophobicContact CE1-CG2 4.42Å; Y845-M874 HydrophobicContact CD1-CE 4.46Å; Y845-M874 HydrophobicContact CE1-CE 4.01Å
846D95.5Very high95.1Very high12 Ų1210.9 Ų10.96%0.0646%0.059CC..THydrogen-bonded Turntrans39.2-123.4-167.1-170.2-102.7000111.4T768 S844 S881 T883T768-D846 VanDerWaalsContact CB-OD2 3.27Å; T768-D846 WeakPolarHBondContact CB-OD2 3.28Å; T768-D846 VanDerWaalsContact OG1-CG 3.3Å; T768-D846 PolarHBondContact OG1-OD1 3.28Å; T768-D846 PolarHBondContact OG1-OD2 3.07Å; S844-D846 PolarHBondContact OG-N 2.92Å; D846-S881 WeakPolarHBondContact CB-OG 2.99Å; D846-T883 VanDerWaalsContact OD1-CA 3.28Å; D846-T883 WeakPolarHBondContact OD1-CA 3.34Å; D846-T883 WeakPolarHBondContact OD1-CB 3.25Å; D846-T883 PolarHBondContact OD1-OG1 2.78Å
847L95.9Very high95.2Very high23 Ų239.8 Ų9.812%0.125%0.053CC..THydrogen-bonded Turntrans-9611.7177-63.1175.9000113.6E767 T768 Y845 V849 G850 V851 A884 F888E767-L847 HydrophobicContact CB-CD1 4.36Å; E767-L847 HydrophobicContact CG-CD1 4Å; T768-L847 HydrophobicContact CG2-CD1 3.91Å; T768-L847 HydrophobicContact CG2-CD2 4.28Å; T768-L847 HydrophobicContact CG2-CG 3.99Å; Y845-L847 PolarHBondContact O-N 3.47Å; L847-V849 VanDerWaalsContact C-N 3.27Å; L847-V849 PolarHBondContact O-N 2.76Å; L847-G850 PolarHBondContact O-N 2.59Å; L847-V851 PolarHBondContact O-N 3.15Å; L847-A884 HydrophobicContact CD1-CB 3.68Å; L847-F888 HydrophobicContact CB-CE2 4.13Å; L847-F888 HydrophobicContact CB-CZ 4.23Å; L847-F888 HydrophobicContact CD1-CE2 4.27Å
848S96.2Very high95.3Very high1 Ų19.8 Ų9.81%0.0075%0.053CC..Hα-helixtrans-55.7-37-175.1-62.60000114H814 C841 Y845 G850 V851 L852H814-S848 PolarHBondContact NE2-OG 2.88Å; C841-S848 WeakPolarHBondContact CB-OG 3.42Å; C841-S848 VanDerWaalsContact SG-CB 3.5Å; C841-S848 PolarHBondContact SG-OG 2.81Å; Y845-S848 WeakPolarHBondContact O-CA 3.46Å; Y845-S848 WeakPolarHBondContact O-CB 3.46Å; Y845-S848 PolarHBondContact O-N 3.28Å; Y845-S848 PolarHBondContact O-OG 2.66Å; S848-G850 PolarHBondContact O-N 3.24Å; S848-V851 PolarHBondContact O-N 3.3Å; S848-L852 WeakPolarHBondContact O-CB 3.39Å; S848-L852 PolarHBondContact O-N 3.46Å
849V95.1Very high95.5Very high27 Ų278.8 Ų8.816%0.1645%0.049CC..Hα-helixtrans-59.4-49.3176.8178.50000110.1Y678 Y845 L847 L852 Q853 M874Y678-V849 HydrophobicContact CE2-CG1 4.19Å; Y678-V849 WeakPolarHBondContact OH-CG1 3.45Å; Y845-V849 HydrophobicContact CD1-CG2 3.97Å; Y845-V849 HydrophobicContact CE1-CG2 4.42Å; L847-V849 VanDerWaalsContact C-N 3.27Å; L847-V849 PolarHBondContact O-N 2.76Å; V849-L852 PolarHBondContact O-N 2.59Å; V849-Q853 WeakPolarHBondContact O-CB 3.49Å; V849-Q853 WeakPolarHBondContact O-CG 3.43Å; V849-Q853 PolarHBondContact O-N 2.93Å; V849-M874 HydrophobicContact CB-SD 4.45Å; V849-M874 HydrophobicContact CG2-CE 4.04Å; V849-M874 HydrophobicContact CG2-SD 3.85Å
850G94.4Very high95.6Very high19 Ų198.8 Ų8.820%0.1965%0.049CC..Hα-helixtrans-65.1-39.7179.100000112.4L847 S848 Q853 R854 F888L847-G850 PolarHBondContact O-N 2.59Å; S848-G850 PolarHBondContact O-N 3.24Å; G850-Q853 PolarHBondContact O-N 3.48Å; G850-R854 WeakPolarHBondContact O-CB 3.17Å; G850-R854 PolarHBondContact O-N 2.94Å; G850-F888 WeakPolarHBondContact O-CE1 3.41Å
851V96.7Very high95.8Very high1 Ų18.4 Ų8.41%0.0065%0.047CC..Hα-helixtrans-63.1-48.2178.3172.10000111H814 L847 S848 R854 S855 F888H814-V851 HydrophobicContact CB-CG1 4.35Å; L847-V851 PolarHBondContact O-N 3.15Å; S848-V851 PolarHBondContact O-N 3.3Å; V851-R854 PolarHBondContact O-N 2.71Å; V851-S855 PolarHBondContact O-N 3.14Å; V851-F888 HydrophobicContact CG2-CD1 4.29Å; V851-F888 HydrophobicContact CG2-CD2 3.87Å; V851-F888 HydrophobicContact CG2-CE1 4.16Å; V851-F888 HydrophobicContact CG2-CE2 3.67Å; V851-F888 HydrophobicContact CG2-CG 4.18Å; V851-F888 HydrophobicContact CG2-CZ 3.83Å
852L95.9Very high95.9Very high0 Ų08.4 Ų8.40%05%0.047CC..Hα-helixtrans-64.5-43.2178.5-174.466.9000111.3Y678 F816 A839 S848 V849 R854 S855 L856 M874Y678-L852 HydrophobicContact CD2-CD2 3.97Å; F816-L852 HydrophobicContact CE1-CD1 4.27Å; F816-L852 HydrophobicContact CZ-CD1 4.21Å; A839-L852 HydrophobicContact CB-CD1 4.14Å; S848-L852 WeakPolarHBondContact O-CB 3.39Å; S848-L852 PolarHBondContact O-N 3.46Å; V849-L852 PolarHBondContact O-N 2.59Å; L852-R854 PolarHBondContact O-N 2.85Å; L852-S855 PolarHBondContact O-N 2.85Å; L852-S855 PolarHBondContact O-OG 2.84Å; L852-L856 WeakPolarHBondContact O-CG 3.37Å; L852-L856 PolarHBondContact O-N 2.78Å; L852-M874 HydrophobicContact CB-CG 4.44Å; L852-M874 HydrophobicContact CD2-CG 3.57Å; L852-M874 HydrophobicContact CD2-SD 4.49Å
853Q94.3Very high96.1Very high28 Ų288.4 Ų8.413%0.1315%0.047CC..Hα-helixtrans-61.2-45.4176.7-73.3-179.5-10.300111.8Y678 V849 G850 S855 L856 F857 W1124Y678-Q853 HydrophobicContact CD1-CG 4.28Å; Y678-Q853 HydrophobicContact CD2-CG 4.36Å; Y678-Q853 HydrophobicContact CE1-CG 4.41Å; Y678-Q853 HydrophobicContact CE2-CG 4.47Å; Y678-Q853 HydrophobicContact CG-CG 4.27Å; V849-Q853 WeakPolarHBondContact O-CB 3.49Å; V849-Q853 WeakPolarHBondContact O-CG 3.43Å; V849-Q853 PolarHBondContact O-N 2.93Å; G850-Q853 PolarHBondContact O-N 3.48Å; Q853-S855 VanDerWaalsContact C-N 3.34Å; Q853-S855 PolarHBondContact O-N 3.28Å; Q853-L856 PolarHBondContact O-N 3.08Å; Q853-F857 HydrophobicContact CB-CE2 4.33Å; Q853-F857 WeakPolarHBondContact O-CD2 3.31Å; Q853-F857 PolarHBondContact O-N 3.26Å; Q853-W1124 HydrophobicContact CB-CH2 4.25Å; Q853-W1124 HydrophobicContact CB-CZ2 3.72Å; Q853-W1124 HydrophobicContact CG-CH2 4.03Å; Q853-W1124 HydrophobicContact CG-CZ2 3.38Å
854R95.4Very high96.3Very high11 Ų1111.1 Ų11.14%0.0426%0.058CC..Hα-helixtrans-65.9-35.1177.8-178.9173-61.2-96.5-0.1112.4G850 V851 L852 L856 F857 H858 F888 G988 G990 F1133G850-R854 WeakPolarHBondContact O-CB 3.17Å; G850-R854 PolarHBondContact O-N 2.94Å; V851-R854 PolarHBondContact O-N 2.71Å; L852-R854 PolarHBondContact O-N 2.85Å; R854-L856 VanDerWaalsContact C-N 3.3Å; R854-L856 PolarHBondContact O-N 3.18Å; R854-F857 PolarHBondContact O-N 2.97Å; R854-H858 PolarHBondContact O-N 3.19Å; R854-H858 PolarHBondContact O-ND1 2.91Å; R854-F888 HydrophobicContact CB-CD1 3.97Å; R854-F888 VanDerWaalsContact CB-O 3.26Å; R854-F888 WeakPolarHBondContact CB-O 3.29Å; R854-F888 WeakPolarHBondContact CD-O 3.41Å; R854-F888 HydrophobicContact CG-CD1 4.44Å; R854-F888 WeakPolarHBondContact CG-O 3.35Å; R854-G988 PolarHBondContact NH1-O 2.83Å; R854-G990 PolarHBondContact NH2-O 3.49Å; R854-F1133 VanDerWaalsContact NH1-CE1 3.32Å
855S96.9Very high96.3Very high0 Ų011.3 Ų11.30%06%0.058CC..Hα-helixtrans-59.1-44.317570.20000110.8V851 L852 Q853 F857 H858 S859 G889V851-S855 PolarHBondContact O-N 3.14Å; L852-S855 PolarHBondContact O-N 2.85Å; L852-S855 PolarHBondContact O-OG 2.84Å; Q853-S855 VanDerWaalsContact C-N 3.34Å; Q853-S855 PolarHBondContact O-N 3.28Å; S855-F857 PolarHBondContact O-N 3.5Å; S855-H858 CarbonylContact O-C 3.53Å; S855-H858 PolarHBondContact O-N 2.91Å; S855-H858 VanDerWaalsContact O-N 3.1Å; S855-S859 PolarHBondContact O-N 2.85Å; S855-S859 PolarHBondContact O-OG 3.37Å; S855-G889 WeakPolarHBondContact CA-O 3.04Å; S855-G889 WeakPolarHBondContact CB-O 3.45Å
856L96Very high96.3Very high0 Ų014 Ų140%07%0.072CC..Hα-helixtrans-60.4-43177.3-58.9-177.9000112.4L680 L852 Q853 R854 H858 S859 A870 W1124L680-L856 HydrophobicContact CB-CB 4.38Å; L680-L856 WeakPolarHBondContact CD2-O 3.28Å; L852-L856 WeakPolarHBondContact O-CG 3.37Å; L852-L856 PolarHBondContact O-N 2.78Å; Q853-L856 PolarHBondContact O-N 3.08Å; R854-L856 VanDerWaalsContact C-N 3.3Å; R854-L856 PolarHBondContact O-N 3.18Å; L856-H858 PolarHBondContact O-N 3.42Å; L856-H858 VanDerWaalsContact O-N 3.17Å; L856-S859 PolarHBondContact O-N 3.42Å; L856-A870 HydrophobicContact CD2-CB 3.82Å; L856-W1124 HydrophobicContact CD1-CH2 3.96Å; L856-W1124 HydrophobicContact CD1-CZ3 3.97Å
857F94.9Very high96.3Very high4 Ų415.4 Ų15.42%0.0188%0.078CC..THydrogen-bonded Turntrans-67.8-9.8177.9-63.3-50.2000114.8L680 Q853 R854 S855 F929 Y1122 W1124 M1132 F1133L680-F857 HydrophobicContact CD2-CD1 4.19Å; Q853-F857 HydrophobicContact CB-CE2 4.33Å; Q853-F857 WeakPolarHBondContact O-CD2 3.31Å; Q853-F857 PolarHBondContact O-N 3.26Å; R854-F857 PolarHBondContact O-N 2.97Å; S855-F857 PolarHBondContact O-N 3.5Å; F857-F929 HydrophobicContact CB-CD1 4.37Å; F857-F929 HydrophobicContact CB-CE1 4.16Å; F857-F929 HydrophobicContact CD1-CB 4.04Å; F857-F929 AromaticContact CD1-CD1 3.7Å; F857-F929 HydrophobicContact CD1-CD1 3.7Å; F857-F929 HydrophobicContact CD1-CE1 4.27Å; F857-F929 AromaticContact CD1-CG 3.85Å; F857-F929 HydrophobicContact CD1-CG 3.85Å; F857-F929 HydrophobicContact CE1-CB 4.07Å; F857-F929 HydrophobicContact CE1-CG 4.29Å; F857-F929 HydrophobicContact CG-CD1 4.47Å; F857-F929 WeakPolarHBondContact O-CE1 3.34Å; F857-Y1122 AromaticContact CE1-CD1 3.82Å; F857-Y1122 HydrophobicContact CE1-CD1 3.82Å; F857-Y1122 HydrophobicContact CE1-CD2 4.11Å; F857-Y1122 HydrophobicContact CE1-CE1 4.29Å; F857-Y1122 AromaticContact CE1-CG 3.71Å; F857-Y1122 HydrophobicContact CE1-CG 3.71Å; F857-Y1122 AromaticContact CZ-CD1 3.74Å; F857-Y1122 HydrophobicContact CZ-CD1 3.74Å; F857-Y1122 AromaticContact CZ-CG 3.76Å; F857-Y1122 HydrophobicContact CZ-CG 3.76Å; F857-W1124 HydrophobicContact CE1-CH2 4.18Å; F857-W1124 HydrophobicContact CE1-CZ2 4.3Å; F857-W1124 HydrophobicContact CE2-CH2 4.25Å; F857-W1124 AromaticContact CE2-CZ2 3.84Å; F857-W1124 HydrophobicContact CE2-CZ2 3.84Å; F857-W1124 AromaticContact CZ-CH2 3.75Å; F857-W1124 HydrophobicContact CZ-CH2 3.75Å; F857-W1124 AromaticContact CZ-CZ2 3.45Å; F857-W1124 HydrophobicContact CZ-CZ2 3.45Å; F857-W1124 VanDerWaalsContact CZ-CZ2 3.45Å; F857-M1132 HydrophobicContact CD2-CE 4.42Å; F857-M1132 HydrophobicContact CE2-CE 3.75Å; F857-M1132 HydrophobicContact CE2-SD 4.46Å; F857-M1132 HydrophobicContact CZ-CE 4.2Å; F857-M1132 HydrophobicContact CZ-SD 4.42Å; F857-F1133 HydrophobicContact CB-CE2 4.18Å; F857-F1133 HydrophobicContact CB-CZ 4.13Å; F857-F1133 HydrophobicContact CD2-CZ 4.4Å; F857-F1133 HydrophobicContact CG-CZ 4.49Å
858H97.3Very high96.3Very high1 Ų114.4 Ų14.41%0.0057%0.073CC..THydrogen-bonded Turntrans-119.33.3177.6-65.274.4000112.4R854 S855 L856 D860 N861 M894 G988 F1133R854-H858 PolarHBondContact O-N 3.19Å; R854-H858 PolarHBondContact O-ND1 2.91Å; S855-H858 CarbonylContact O-C 3.53Å; S855-H858 PolarHBondContact O-N 2.91Å; S855-H858 VanDerWaalsContact O-N 3.1Å; L856-H858 PolarHBondContact O-N 3.42Å; L856-H858 VanDerWaalsContact O-N 3.17Å; H858-D860 PolarHBondContact O-N 3.44Å; H858-D860 VanDerWaalsContact O-N 3.14Å; H858-N861 PolarHBondContact O-N 3.46Å; H858-M894 HydrophobicContact CB-CG 4.08Å; H858-M894 WeakPolarHBondContact O-CG 3.45Å; H858-G988 PolarHBondContact NE2-N 3.34Å; H858-F1133 AromaticContact CE1-CZ 3.71Å
859S97.9Very high96.2Very high0 Ų016.4 Ų16.40%08%0.08CC..THydrogen-bonded Turntrans-67.1-9.8177.3-64.90000113.1H837 S855 L856 L897H837-S859 PolarHBondContact NE2-OG 2.79Å; S855-S859 PolarHBondContact O-N 2.85Å; S855-S859 PolarHBondContact O-OG 3.37Å; L856-S859 PolarHBondContact O-N 3.42Å; S859-L897 VanDerWaalsContact O-CD2 3.27Å; S859-L897 WeakPolarHBondContact O-CD2 3.18Å
860D97.1Very high96.3Very high1 Ų115.1 Ų15.11%0.0057%0.072CC..THydrogen-bonded Turntrans-84.3-20.317065.2-37.2000113.6H858 T862 Y863 F868 L897 Y921 P928 K986H858-D860 PolarHBondContact O-N 3.44Å; H858-D860 VanDerWaalsContact O-N 3.14Å; D860-T862 PolarHBondContact O-N 3.27Å; D860-T862 VanDerWaalsContact O-N 3.08Å; D860-Y863 WeakPolarHBondContact O-CD2 3.26Å; D860-Y863 PolarHBondContact O-N 3.23Å; D860-F868 HydrophobicContact CB-CE2 4.14Å; D860-F868 HydrophobicContact CB-CZ 4.37Å; D860-L897 WeakPolarHBondContact O-CD2 3.47Å; D860-Y921 PolarHBondContact OD2-OH 3.04Å; D860-Y921 VanDerWaalsContact OD2-OH 3.11Å; D860-P928 HydrophobicContact CB-CG 3.84Å; D860-K986 IonicContact OD1-NZ 2.82Å; D860-K986 PolarHBondContact OD1-NZ 3.04Å; D860-K986 IonicContact OD2-NZ 3.16Å; D860-K986 PolarHBondContact OD2-NZ 3.01Å
861N98.2Very high96.4Very high0 Ų014.5 Ų14.50%07%0.065CC..THydrogen-bonded Turntrans43.1-113.1-167.3-169.411.7000111.9H858 Y863 M894 E898 P984 T985 K986H858-N861 PolarHBondContact O-N 3.46Å; N861-Y863 HydrophobicContact CB-CD2 4.03Å; N861-Y863 HydrophobicContact CB-CE2 4Å; N861-M894 HydrophobicContact CB-CB 4.28Å; N861-M894 HydrophobicContact CB-CG 3.85Å; N861-M894 HydrophobicContact CB-SD 4.2Å; N861-M894 PolarHBondContact OD1-SD 3.1Å; N861-M894 VanDerWaalsContact OD1-SD 3.35Å; N861-E898 PolarHBondContact ND2-OE1 2.85Å; N861-P984 PolarHBondContact ND2-O 3.14Å; N861-T985 WeakPolarHBondContact OD1-CA 3.41Å; N861-K986 WeakPolarHBondContact O-CE 3.49Å; N861-K986 PolarHBondContact O-NZ 2.87Å; N861-K986 PolarHBondContact OD1-N 3.24Å
862T98.3Very high96.2Very high1 Ų114.4 Ų14.41%0.0067%0.065CC..THydrogen-bonded Turntrans-108.414.5-178.359.70000113.5D860 L920 Y921 I938 P984 K986D860-T862 PolarHBondContact O-N 3.27Å; D860-T862 VanDerWaalsContact O-N 3.08Å; T862-L920 WeakPolarHBondContact O-CA 3.28Å; T862-L920 WeakPolarHBondContact OG1-CD2 3.22Å; T862-Y921 WeakPolarHBondContact O-CD2 3.41Å; T862-Y921 PolarHBondContact O-N 3.22Å; T862-I938 HydrophobicContact CG2-CD1 3.82Å; T862-I938 HydrophobicContact CG2-CG1 3.79Å; T862-P984 HydrophobicContact CG2-CB 3.89Å; T862-P984 HydrophobicContact CG2-CG 4.27Å; T862-P984 WeakPolarHBondContact OG1-CG 3.12Å; T862-K986 HydrophobicContact CG2-CB 3.74Å; T862-K986 VanDerWaalsContact CG2-N 3.32Å
863Y98.3Very high96Very high0 Ų017.4 Ų17.40%08%0.078CC..BIsolated β-bridgetrans-114.3128.3-163.2-50.8-60.5000112.7D860 N861 I865 L897 E898 I901 R916 I919 L920 Y921 P984D860-Y863 WeakPolarHBondContact O-CD2 3.26Å; D860-Y863 PolarHBondContact O-N 3.23Å; N861-Y863 HydrophobicContact CB-CD2 4.03Å; N861-Y863 HydrophobicContact CB-CE2 4Å; Y863-I865 PolarHBondContact O-N 3.23Å; Y863-L897 HydrophobicContact CD2-CD2 3.65Å; Y863-L897 HydrophobicContact CD2-CG 4.01Å; Y863-L897 HydrophobicContact CE2-CG 4.49Å; Y863-L897 HydrophobicContact CG-CD2 4.46Å; Y863-E898 VanDerWaalsContact CE2-OE1 3.26Å; Y863-E898 WeakPolarHBondContact CE2-OE1 3.38Å; Y863-E898 VanDerWaalsContact OH-CD 3.3Å; Y863-E898 PolarHBondContact OH-OE1 2.67Å; Y863-E898 PolarHBondContact OH-OE2 2.75Å; Y863-I901 HydrophobicContact CD1-CD1 4.26Å; Y863-I901 HydrophobicContact CD2-CD1 3.52Å; Y863-I901 HydrophobicContact CE1-CD1 4.01Å; Y863-I901 HydrophobicContact CE2-CD1 3.22Å; Y863-I901 HydrophobicContact CG-CD1 4Å; Y863-I901 VanDerWaalsContact CZ-CD1 3.47Å; Y863-R916 HydrophobicContact CE1-CB 4.03Å; Y863-R916 HydrophobicContact CE1-CG 4.13Å; Y863-R916 WeakPolarHBondContact OH-CD 3.43Å; Y863-R916 WeakPolarHBondContact OH-CG 3.47Å; Y863-R916 PolarHBondContact OH-NE 3.46Å; Y863-I919 CarbonylContact C-O 3.56Å; Y863-I919 VanDerWaalsContact CA-O 3.25Å; Y863-I919 WeakPolarHBondContact CA-O 3.47Å; Y863-I919 HydrophobicContact CD1-CD1 4.08Å; Y863-I919 HydrophobicContact CD1-CG1 3.61Å; Y863-I919 HydrophobicContact CE1-CG1 4.39Å; Y863-I919 HydrophobicContact CG-CD1 4.11Å; Y863-I919 HydrophobicContact CG-CG1 4.05Å; Y863-L920 HydrophobicContact CD1-CD2 4.26Å; Y863-L920 HydrophobicContact CE1-CD2 4.04Å; Y863-Y921 WeakPolarHBondContact O-CE2 3.47Å; Y863-Y921 VanDerWaalsContact O-CZ 3.25Å; Y863-Y921 PolarHBondContact O-OH 3.41Å; Y863-P984 HydrophobicContact CE1-CG 4Å; Y863-P984 WeakPolarHBondContact OH-CD 3.39Å; Y863-P984 WeakPolarHBondContact OH-CG 3.36Å
864K97.4Very high95.9Very high68 Ų6816.1 Ų16.130%0.2967%0.072SC..  trans-81112.7172-175.766.5178.9170.60109I919 Y921 E926K864-I919 PolarHBondContact N-O 2.91Å; K864-Y921 HydrophobicContact CB-CD1 3.72Å; K864-Y921 HydrophobicContact CB-CE1 3.73Å; K864-Y921 HydrophobicContact CD-CD1 4.05Å; K864-Y921 HydrophobicContact CD-CE1 3.53Å; K864-Y921 HydrophobicContact CG-CD1 4.43Å; K864-Y921 HydrophobicContact CG-CE1 4.23Å; K864-E926 PolarHBondContact NZ-O 3.44Å
865I96.1Very high95.8Very high5 Ų515.6 Ų15.63%0.0267%0.07CC..  trans-119.1128.9173.9-56.1175.3000107.6I830 Y833 Y863 F868 L897I830-I865 HydrophobicContact CG2-CD1 4.21Å; I830-I865 HydrophobicContact CG2-CG2 4.3Å; Y833-I865 HydrophobicContact CD1-CD1 4.3Å; Y833-I865 HydrophobicContact CG-CD1 4.16Å; Y863-I865 PolarHBondContact O-N 3.23Å; I865-F868 HydrophobicContact CB-CD2 4.47Å; I865-F868 HydrophobicContact CD1-CD2 4.39Å; I865-L897 HydrophobicContact CD1-CD1 3.8Å; I865-L897 HydrophobicContact CD1-CD2 3.88Å
866E93.8Very high95.5Very high91 Ų9120.3 Ų20.343%0.4259%0.088SC..SBendtrans-68.8-50.6-173.5-175.856.6-151.300111.4N683N683-E866 WeakPolarHBondContact CB-O 3.35Å; N683-E866 PolarHBondContact ND2-OE1 3.33Å
867H95.5Very high95.3Very high43 Ų4320.5 Ų20.520%0.1999%0.088CC..EExtended strand (participates in β ladder)trans-107103.8178.6-53.4-69.4000109.9N683 W684 C688 V831 S832 Y833N683-H867 PolarHBondContact O-ND1 3.5Å; W684-H867 HydrophobicContact CE3-CB 4.25Å; W684-H867 HydrophobicContact CZ3-CB 4.45Å; C688-H867 HydrophobicContact CB-CB 3.96Å; C688-H867 PolarHBondContact SG-ND1 3.17Å; C688-H867 VanDerWaalsContact SG-ND1 3.4Å; V831-H867 PolarHBondContact O-N 3.47Å; V831-H867 VanDerWaalsContact O-N 3.12Å; S832-H867 CarbonylContact C-O 3.47Å; S832-H867 VanDerWaalsContact CA-O 3.24Å; S832-H867 WeakPolarHBondContact CA-O 3.47Å; Y833-H867 PolarHBondContact N-O 3.3Å
868F96Very high95.3Very high1 Ų121.2 Ų21.20%0.0049%0.092CC..EExtended strand (participates in β ladder)trans-126134.7-172.8179.4-81.2000111.5L680 E681 T682 Y833 D860 I865 A870 P928L680-F868 HydrophobicContact CD2-CE1 4.27Å; L680-F868 HydrophobicContact CG-CE1 4.43Å; E681-F868 CarbonylContact C-O 3.58Å; E681-F868 VanDerWaalsContact CA-O 3.23Å; E681-F868 WeakPolarHBondContact CA-O 3.43Å; T682-F868 HydrophobicContact CG2-CB 3.78Å; T682-F868 PolarHBondContact N-O 3.47Å; T682-F868 PolarHBondContact O-N 3.42Å; Y833-F868 AromaticContact CD1-CD2 3.78Å; Y833-F868 HydrophobicContact CD1-CD2 3.78Å; Y833-F868 AromaticContact CD1-CE2 3.59Å; Y833-F868 HydrophobicContact CD1-CE2 3.59Å; Y833-F868 HydrophobicContact CD1-CZ 4.5Å; Y833-F868 AromaticContact CE1-CE2 3.92Å; Y833-F868 HydrophobicContact CE1-CE2 3.92Å; Y833-F868 WeakPolarHBondContact O-CA 3.45Å; D860-F868 HydrophobicContact CB-CE2 4.14Å; D860-F868 HydrophobicContact CB-CZ 4.37Å; I865-F868 HydrophobicContact CB-CD2 4.47Å; I865-F868 HydrophobicContact CD1-CD2 4.39Å; F868-A870 HydrophobicContact CE1-CB 3.71Å; F868-A870 HydrophobicContact CZ-CB 3.92Å; F868-P928 HydrophobicContact CD1-CB 3.65Å; F868-P928 HydrophobicContact CD1-CG 3.74Å; F868-P928 HydrophobicContact CD2-CG 4.33Å; F868-P928 HydrophobicContact CE1-CB 3.93Å; F868-P928 HydrophobicContact CE1-CG 3.88Å; F868-P928 HydrophobicContact CE2-CG 4.45Å; F868-P928 HydrophobicContact CG-CB 4.27Å; F868-P928 HydrophobicContact CG-CG 3.97Å; F868-P928 HydrophobicContact CZ-CG 4.23Å
869R95.9Very high95.2Very high43 Ų4322.2 Ų22.216%0.16210%0.098CC..EExtended strand (participates in β ladder)trans-140.1122.9170177.1175.9174.9-100.9-3.8111.4E679 L680 W684 Y833 C834 V835 D836E679-R869 HydrophobicContact CG-CG 4.37Å; E679-R869 IonicContact OE2-CZ 3.59Å; E679-R869 VanDerWaalsContact OE2-CZ 3.24Å; E679-R869 IonicContact OE2-NE 3.68Å; E679-R869 PolarHBondContact OE2-NE 3.01Å; E679-R869 IonicContact OE2-NH2 2.75Å; E679-R869 PolarHBondContact OE2-NH2 2.91Å; L680-R869 CarbonylContact O-C 3.58Å; L680-R869 WeakPolarHBondContact O-CA 3.43Å; W684-R869 HydrophobicContact CB-CB 4.37Å; W684-R869 HydrophobicContact CD2-CB 3.44Å; W684-R869 VanDerWaalsContact CD2-CB 3.44Å; W684-R869 HydrophobicContact CD2-CG 4.42Å; W684-R869 HydrophobicContact CE3-CB 3.68Å; W684-R869 HydrophobicContact CG-CB 3.74Å; W684-R869 HydrophobicContact CG-CG 4.43Å; W684-R869 HydrophobicContact CZ2-CB 4.39Å; W684-R869 HydrophobicContact CZ3-CB 4.26Å; Y833-R869 PolarHBondContact O-N 2.76Å; C834-R869 CarbonylContact C-O 3.47Å; C834-R869 WeakPolarHBondContact CA-O 3.31Å; C834-R869 HydrophobicContact CB-CB 4.16Å; V835-R869 PolarHBondContact N-O 2.94Å; D836-R869 IonicContact OD1-NH1 2.85Å
870A96.6Very high95.1Very high0 Ų022.6 Ų22.60%010%0.1CC..EExtended strand (participates in β ladder)trans-119.9126.3169.900000109.5E679 L680 V835 L856 F868E679-A870 WeakPolarHBondContact CA-O 3.39Å; L680-A870 PolarHBondContact N-O 2.91Å; L680-A870 PolarHBondContact O-N 3.2Å; V835-A870 HydrophobicContact CG1-CB 3.82Å; V835-A870 WeakPolarHBondContact O-CA 3.47Å; L856-A870 HydrophobicContact CD2-CB 3.82Å; F868-A870 HydrophobicContact CE1-CB 3.71Å; F868-A870 HydrophobicContact CZ-CB 3.92Å
871S95.4Very high95Very high6 Ų623.1 Ų23.14%0.04210%0.104CC..EExtended strand (participates in β ladder)trans-118.3154.6175.589.40000111Y678 V835 D836 H837Y678-S871 CarbonylContact O-C 3.58Å; Y678-S871 WeakPolarHBondContact O-CA 3.39Å; V835-S871 PolarHBondContact O-N 3.03Å; D836-S871 PolarHBondContact OD1-OG 3.42Å; H837-S871 WeakPolarHBondContact CB-O 3.43Å; H837-S871 PolarHBondContact CD2-O 3.1Å; H837-S871 PolarHBondContact N-O 3Å
872G93.6Very high95Very high0 Ų023.3 Ų23.30%011%0.105CC..EExtended strand (participates in β ladder)trans-141.6137.7-177.300000113.2Y678 H837Y678-G872 PolarHBondContact N-O 2.96Å; Y678-G872 PolarHBondContact O-N 3.15Å; H837-G872 CarbonylContact O-C 3.54Å; H837-G872 WeakPolarHBondContact O-CA 3.25Å
873K92Very high94.9Very high62 Ų6223.3 Ų23.327%0.2711%0.106SC..EExtended strand (participates in β ladder)trans-127.3137.4171.2-69.2-173.4179.2-175.40111.8L651 F673 H837 Y838 A839L651-K873 HydrophobicContact CD1-CD 3.9Å; F673-K873 HydrophobicContact CD1-CB 4.41Å; F673-K873 HydrophobicContact CE1-CB 4.48Å; H837-K873 PolarHBondContact O-N 3.02Å; Y838-K873 HydrophobicContact CD1-CB 4.27Å; Y838-K873 HydrophobicContact CE1-CD 4.15Å; A839-K873 PolarHBondContact N-O 3.25Å
874M92.3Very high94.9Very high1 Ų123.4 Ų23.41%0.00511%0.106CC..EExtended strand (participates in β ladder)trans-91.7113.3176.4-68.1-176.7-64.900110.5F673 F674 D675 Y678 C841 Y845 V849 L852F673-M874 WeakPolarHBondContact CA-O 3.37Å; F673-M874 WeakPolarHBondContact CD1-O 3.37Å; F674-M874 HydrophobicContact CB-CB 3.97Å; F674-M874 HydrophobicContact CB-CE 4.27Å; F674-M874 PolarHBondContact N-O 2.96Å; D675-M874 WeakPolarHBondContact O-CE 3.47Å; Y678-M874 HydrophobicContact CE2-CE 4.37Å; C841-M874 VanDerWaalsContact SG-CB 3.55Å; Y845-M874 HydrophobicContact CD1-CE 4.46Å; Y845-M874 HydrophobicContact CE1-CE 4.01Å; V849-M874 HydrophobicContact CB-SD 4.45Å; V849-M874 HydrophobicContact CG2-CE 4.04Å; V849-M874 HydrophobicContact CG2-SD 3.85Å; L852-M874 HydrophobicContact CB-CG 4.44Å; L852-M874 HydrophobicContact CD2-CG 3.57Å; L852-M874 HydrophobicContact CD2-SD 4.49Å
875C91.6Very high94.9Very high0 Ų020.4 Ų20.40%09%0.093CC..EExtended strand (participates in β ladder)trans-92.9120.4-178.9-56.60000109.6T644 F673 A839 C841T644-C875 HydrophobicContact CG2-CB 3.88Å; F673-C875 HydrophobicContact CD1-CB 4.5Å; F673-C875 HydrophobicContact CE1-CB 4.5Å; F673-C875 VanDerWaalsContact CE1-SG 3.59Å; A839-C875 WeakPolarHBondContact O-CA 3.25Å; A839-C875 VanDerWaalsContact O-CB 3.22Å; A839-C875 WeakPolarHBondContact O-CB 3.44Å; A839-C875 PolarHBondContact O-N 3.22Å; C841-C875 WeakPolarHBondContact CB-O 3.44Å; C841-C875 PolarHBondContact N-O 3.1Å
876R92.1Very high95Very high100 Ų10020.8 Ų20.838%0.3779%0.094SC..EExtended strand (participates in β ladder)trans-80.8131.4174.1-178175.5-172.9-167.3-2.1109.4Q647 S672 F674Q647-R876 PolarHBondContact NE2-O 2.87Å; S672-R876 PolarHBondContact O-N 3Å; F674-R876 HydrophobicContact CD1-CB 4.45Å; F674-R876 HydrophobicContact CD2-CB 3.94Å; F674-R876 HydrophobicContact CD2-CG 4.47Å; F674-R876 HydrophobicContact CE1-CB 4.27Å; F674-R876 HydrophobicContact CE1-CG 3.95Å; F674-R876 HydrophobicContact CE2-CB 3.74Å; F674-R876 HydrophobicContact CE2-CG 3.81Å; F674-R876 HydrophobicContact CG-CB 4.29Å; F674-R876 HydrophobicContact CZ-CB 3.9Å; F674-R876 HydrophobicContact CZ-CG 3.51Å
877T91.9Very high95.1Very high3 Ų316.4 Ų16.42%0.0187%0.074CC..  trans-135.9166.7178.966.60000111.1I641 N840 G842 S843 L879I641-T877 HydrophobicContact CG2-CG2 4.49Å; I641-T877 CarbonylContact O-C 3.53Å; I641-T877 WeakPolarHBondContact O-CA 3.4Å; I641-T877 WeakPolarHBondContact O-CB 3.42Å; N840-T877 WeakPolarHBondContact OD1-CB 3.11Å; N840-T877 WeakPolarHBondContact OD1-CG2 3.35Å; N840-T877 PolarHBondContact OD1-OG1 3.34Å; G842-T877 CarbonylContact C-O 3.6Å; G842-T877 VanDerWaalsContact CA-OG1 3.32Å; G842-T877 WeakPolarHBondContact CA-OG1 3.29Å; G842-T877 PolarHBondContact O-N 3.12Å; G842-T877 VanDerWaalsContact O-O 3.05Å; S843-T877 VanDerWaalsContact CA-O 3.27Å; S843-T877 WeakPolarHBondContact CA-O 3.12Å; S843-T877 PolarHBondContact N-O 3.42Å; T877-L879 PolarHBondContact O-N 2.9Å
878N93.5Very high95.2Very high19 Ų1916 Ų1610%0.1027%0.072CC..SBendtrans-88.548.5176.6-67.4112000111.7H558 T607 C640 I641H558-N878 HydrophobicContact CB-CB 4.31Å; T607-N878 CarbonylContact O-C 3.58Å; T607-N878 WeakPolarHBondContact O-CA 3.35Å; T607-N878 VanDerWaalsContact O-CB 3.27Å; T607-N878 WeakPolarHBondContact O-CB 3.37Å; T607-N878 PolarHBondContact O-ND2 2.95Å; C640-N878 WeakPolarHBondContact SG-CB 3.29Å; I641-N878 PolarHBondContact N-OD1 3.01Å; I641-N878 PolarHBondContact O-N 3.27Å
879L95Very high95.2Very high22 Ų2216 Ų1612%0.1157%0.072CC..SBendtrans-124.1159.8177.2-61.7179.6000109.6V642 G842 S843 T877 S881 V1196V642-L879 HydrophobicContact CB-CD1 4.5Å; V642-L879 HydrophobicContact CB-CD2 4.29Å; V642-L879 HydrophobicContact CB-CG 4.47Å; V642-L879 HydrophobicContact CG1-CD2 4.08Å; G842-L879 CarbonylContact C-O 3.54Å; G842-L879 WeakPolarHBondContact CA-O 3.44Å; S843-L879 WeakPolarHBondContact CB-O 3.49Å; S843-L879 PolarHBondContact N-O 3.11Å; S843-L879 PolarHBondContact OG-O 3.15Å; T877-L879 PolarHBondContact O-N 2.9Å; L879-S881 PolarHBondContact O-N 2.96Å; L879-V1196 HydrophobicContact CD2-CG1 3.7Å
880P95.8Very high95.3Very high8 Ų814 Ų145%0.0526%0.064CC..PPolyproline II helixtrans-51.8140.3172.8-22.231.2000110.5F608 V808 C882 I1202F608-P880 HydrophobicContact CD2-CB 3.94Å; F608-P880 HydrophobicContact CD2-CG 3.64Å; F608-P880 HydrophobicContact CE2-CB 4.01Å; F608-P880 HydrophobicContact CE2-CG 4.08Å; F608-P880 HydrophobicContact CG-CG 4.43Å; V808-P880 WeakPolarHBondContact O-CG 3.49Å; P880-C882 PolarHBondContact O-N 3.44Å; P880-C882 VanDerWaalsContact O-N 3.15Å; P880-I1202 HydrophobicContact CG-CD1 3.71Å
881S96.4Very high95.4Very high12 Ų1214 Ų148%0.0846%0.064CC..PPolyproline II helixtrans-58.5119.9-175.5-163.50000110.6G811 S844 D846 L879G811-S881 WeakPolarHBondContact CA-O 3.42Å; S844-S881 PolarHBondContact O-OG 2.9Å; S844-S881 VanDerWaalsContact OG-CB 3.26Å; S844-S881 WeakPolarHBondContact OG-CB 3.38Å; S844-S881 PolarHBondContact OG-OG 3.37Å; D846-S881 WeakPolarHBondContact CB-OG 2.99Å; L879-S881 PolarHBondContact O-N 2.96Å
882C97.1Very high95.4Very high4 Ų413.8 Ų13.83%0.0276%0.063CC..PPolyproline II helixtrans-64.9147.7173.8-69.20000109.8T812 H814 C841 P880T812-C882 VanDerWaalsContact O-CA 3.27Å; T812-C882 WeakPolarHBondContact O-CA 3.34Å; T812-C882 VanDerWaalsContact O-CB 3.27Å; T812-C882 WeakPolarHBondContact O-CB 3.26Å; H814-C882 HydrophobicContact CB-CB 4.45Å; H814-C882 VanDerWaalsContact CE1-C 3.46Å; H814-C882 VanDerWaalsContact CE1-CB 3.42Å; H814-C882 WeakPolarHBondContact CE1-CB 3.18Å; H814-C882 PolarHBondContact CE1-O 2.88Å; H814-C882 WeakPolarHBondContact NE2-CB 3.44Å; C841-C882 PolarHBondContact O-N 2.81Å; P880-C882 PolarHBondContact O-N 3.44Å; P880-C882 VanDerWaalsContact O-N 3.15Å
883T97.4Very high95.6Very high2 Ų213.8 Ų13.81%0.0126%0.063CC..  trans-134.9-174.2-173.7-169.40000112.3T768 T812 D846 F885T768-T883 PolarHBondContact OG1-OG1 3.42Å; T768-T883 VanDerWaalsContact OG1-OG1 3.07Å; T812-T883 PolarHBondContact O-N 3.18Å; D846-T883 VanDerWaalsContact OD1-CA 3.28Å; D846-T883 WeakPolarHBondContact OD1-CA 3.34Å; D846-T883 WeakPolarHBondContact OD1-CB 3.25Å; D846-T883 PolarHBondContact OD1-OG1 2.78Å; T883-F885 PolarHBondContact O-N 3.15Å
884A97.2Very high95.9Very high2 Ų210.9 Ų10.92%0.0175%0.05CC..  trans-54.6136.2173.600000110.8H707 G764 G765 E767 L847 F888H707-A884 PolarHBondContact NE2-O 3.25Å; G764-A884 CarbonylContact C-O 2.97Å; G764-A884 VanDerWaalsContact CA-O 3.29Å; G764-A884 WeakPolarHBondContact CA-O 3.35Å; G765-A884 PolarHBondContact N-O 3.18Å; E767-A884 HydrophobicContact CB-CB 4.4Å; E767-A884 WeakPolarHBondContact OE2-CB 3.34Å; L847-A884 HydrophobicContact CD1-CB 3.68Å; A884-F888 HydrophobicContact CB-CD2 3.7Å; A884-F888 HydrophobicContact CB-CE2 3.66Å
885F98.2Very high96.1Very high4 Ų410.9 Ų10.92%0.0185%0.05CC..  trans-139.3143.9167.3-160-61.1000107.5M115 Q705 E706 H707 F763 R813 T883 G887 F888 Q1184M115-F885 HydrophobicContact CE-CE1 4.39Å; M115-F885 HydrophobicContact CE-CZ 3.81Å; Q705-F885 HydrophobicContact CB-CD2 4.36Å; Q705-F885 HydrophobicContact CB-CE2 3.75Å; Q705-F885 HydrophobicContact CB-CZ 4.08Å; Q705-F885 HydrophobicContact CG-CE2 3.74Å; Q705-F885 HydrophobicContact CG-CZ 3.63Å; Q705-F885 WeakPolarHBondContact O-CE2 3.23Å; Q705-F885 VanDerWaalsContact OE1-CE1 3.23Å; E706-F885 VanDerWaalsContact C-CE2 3.47Å; E706-F885 WeakPolarHBondContact O-CE2 3.47Å; H707-F885 HydrophobicContact CB-CD2 4.44Å; H707-F885 HydrophobicContact CB-CE2 4.15Å; H707-F885 AromaticContact CD2-CD2 3.26Å; H707-F885 WeakPolarHBondContact CD2-CD2 3.03Å; H707-F885 AromaticContact CD2-CE2 3.82Å; H707-F885 AromaticContact CD2-CG 3.71Å; H707-F885 AromaticContact CG-CD2 3.74Å; H707-F885 AromaticContact CG-CE2 3.91Å; H707-F885 AromaticContact NE2-CD2 3.5Å; H707-F885 AromaticContact NE2-CG 3.95Å; F763-F885 CarbonylContact O-C 3.56Å; F763-F885 WeakPolarHBondContact O-CA 2.93Å; R813-F885 HydrophobicContact CB-CB 3.81Å; R813-F885 HydrophobicContact CB-CD2 3.65Å; R813-F885 HydrophobicContact CB-CE2 4.35Å; R813-F885 HydrophobicContact CB-CG 3.92Å; R813-F885 HydrophobicContact CG-CB 4.16Å; T883-F885 PolarHBondContact O-N 3.15Å; F885-G887 PolarHBondContact O-N 3.03Å; F885-G887 VanDerWaalsContact O-N 3.12Å; F885-F888 WeakPolarHBondContact O-CA 3.41Å; F885-F888 PolarHBondContact O-N 2.71Å; F885-Q1184 HydrophobicContact CE1-CG 4.09Å
886R97.6Very high96.4Very high13 Ų1310.9 Ų10.95%0.0495%0.05CC..THydrogen-bonded Turntrans-29.7115.3171-161.2178.9-165.7170.72.2112.5M115 F763 R813 Q1177 G1243 E1244 L1247M115-R886 PolarHBondContact O-NH1 2.88Å; F763-R886 PolarHBondContact O-N 2.95Å; R813-R886 PolarHBondContact NH1-O 3.26Å; R813-R886 PolarHBondContact NH2-O 3.18Å; R886-Q1177 PolarHBondContact NH2-O 2.87Å; R886-G1243 PolarHBondContact NE-O 3.14Å; R886-G1243 PolarHBondContact NH2-O 2.83Å; R886-E1244 HydrophobicContact CB-CG 4.45Å; R886-E1244 HydrophobicContact CG-CB 4.16Å; R886-E1244 HydrophobicContact CG-CG 3.71Å; R886-L1247 HydrophobicContact CB-CD1 3.79Å; R886-L1247 HydrophobicContact CG-CD1 3.86Å; R886-L1247 WeakPolarHBondContact O-CD1 3.5Å
887G96Very high96.7Very high0 Ų06.1 Ų6.10%03%0.032CC..THydrogen-bonded Turntrans103.3-24.7-174.900000114.2F885 G889 G890 P891 F987 E1244F885-G887 PolarHBondContact O-N 3.03Å; F885-G887 VanDerWaalsContact O-N 3.12Å; G887-G889 PolarHBondContact O-N 3.46Å; G887-G890 PolarHBondContact O-N 3.13Å; G887-P891 WeakPolarHBondContact O-CD 3.33Å; G887-F987 WeakPolarHBondContact O-CE2 3.21Å; G887-F987 WeakPolarHBondContact O-CZ 3.42Å; G887-E1244 PolarHBondContact N-OE1 2.86Å
888F97.2Very high97Very high34 Ų346 Ų615%0.1493%0.031CC..THydrogen-bonded Turntrans48.953.9167.5-163-98.4000114.6L847 G850 V851 R854 A884 F885 G890L847-F888 HydrophobicContact CB-CE2 4.13Å; L847-F888 HydrophobicContact CB-CZ 4.23Å; L847-F888 HydrophobicContact CD1-CE2 4.27Å; G850-F888 WeakPolarHBondContact O-CE1 3.41Å; V851-F888 HydrophobicContact CG2-CD1 4.29Å; V851-F888 HydrophobicContact CG2-CD2 3.87Å; V851-F888 HydrophobicContact CG2-CE1 4.16Å; V851-F888 HydrophobicContact CG2-CE2 3.67Å; V851-F888 HydrophobicContact CG2-CG 4.18Å; V851-F888 HydrophobicContact CG2-CZ 3.83Å; R854-F888 HydrophobicContact CB-CD1 3.97Å; R854-F888 VanDerWaalsContact CB-O 3.26Å; R854-F888 WeakPolarHBondContact CB-O 3.29Å; R854-F888 WeakPolarHBondContact CD-O 3.41Å; R854-F888 HydrophobicContact CG-CD1 4.44Å; R854-F888 WeakPolarHBondContact CG-O 3.35Å; A884-F888 HydrophobicContact CB-CD2 3.7Å; A884-F888 HydrophobicContact CB-CE2 3.66Å; F885-F888 WeakPolarHBondContact O-CA 3.41Å; F885-F888 PolarHBondContact O-N 2.71Å; F888-G890 VanDerWaalsContact C-N 3.26Å; F888-G890 PolarHBondContact O-N 3.4Å
889G96.6Very high97.2Very high1 Ų15.2 Ų5.21%0.013%0.027CC..THydrogen-bonded Turntrans89.5-22.3-178.500000114.1S855 G887 Q892 G893S855-G889 WeakPolarHBondContact CA-O 3.04Å; S855-G889 WeakPolarHBondContact CB-O 3.45Å; G887-G889 PolarHBondContact O-N 3.46Å; G889-Q892 VanDerWaalsContact C-OE1 3.23Å; G889-Q892 PolarHBondContact O-N 3.26Å; G889-Q892 PolarHBondContact O-OE1 3.47Å; G889-G893 PolarHBondContact O-N 3.27Å
890G97.5Very high97.3Very high0 Ų04.1 Ų4.10%02%0.022CC..Hα-helixtrans-54.2-54.8178.100000113.2G887 F888 Q892 G893 M894G887-G890 PolarHBondContact O-N 3.13Å; F888-G890 VanDerWaalsContact C-N 3.26Å; F888-G890 PolarHBondContact O-N 3.4Å; G890-Q892 VanDerWaalsContact C-N 3.25Å; G890-Q892 PolarHBondContact O-N 2.74Å; G890-G893 PolarHBondContact O-N 2.81Å; G890-G893 VanDerWaalsContact O-N 3.15Å; G890-M894 WeakPolarHBondContact O-CE 3.34Å; G890-M894 WeakPolarHBondContact O-CG 3.41Å; G890-M894 PolarHBondContact O-N 3.13Å
891P98.2Very high97.5Very high1 Ų13.8 Ų3.81%0.0062%0.019CC..Hα-helixtrans-55.2-38.4177.5-26.734.7000113.8F702 G887 L895 F1189 L1247 F1248F702-P891 HydrophobicContact CE2-CB 4.28Å; F702-P891 HydrophobicContact CZ-CB 4.1Å; G887-P891 WeakPolarHBondContact O-CD 3.33Å; P891-L895 PolarHBondContact O-N 2.91Å; P891-L895 VanDerWaalsContact O-N 3.1Å; P891-F1189 HydrophobicContact CB-CZ 4.38Å; P891-L1247 HydrophobicContact CB-CD2 4.15Å; P891-L1247 HydrophobicContact CG-CD2 3.59Å; P891-F1248 HydrophobicContact CB-CD2 4.07Å
892Q96.7Very high97.5Very high2 Ų23.2 Ų3.21%0.0092%0.016CC..Hα-helixtrans-68.6-39.9178.7-61.1101.4-52.300112.5F702 R813 H814 F816 G889 G890F702-Q892 HydrophobicContact CD1-CG 3.63Å; F702-Q892 HydrophobicContact CD2-CB 4.27Å; F702-Q892 HydrophobicContact CD2-CG 3.99Å; F702-Q892 HydrophobicContact CE1-CG 3.72Å; F702-Q892 HydrophobicContact CE2-CB 4.47Å; F702-Q892 HydrophobicContact CE2-CG 4.04Å; F702-Q892 HydrophobicContact CG-CB 4.4Å; F702-Q892 HydrophobicContact CG-CG 3.82Å; F702-Q892 HydrophobicContact CZ-CG 3.94Å; R813-Q892 VanDerWaalsContact CG-NE2 3.29Å; H814-Q892 PolarHBondContact O-NE2 3.3Å; H814-Q892 VanDerWaalsContact O-NE2 3.09Å; F816-Q892 HydrophobicContact CB-CB 4.2Å; F816-Q892 HydrophobicContact CB-CG 4.45Å; F816-Q892 HydrophobicContact CD1-CB 3.8Å; F816-Q892 HydrophobicContact CD2-CB 3.83Å; F816-Q892 HydrophobicContact CD2-CG 3.8Å; F816-Q892 HydrophobicContact CE1-CB 4.05Å; F816-Q892 HydrophobicContact CE2-CB 4.1Å; F816-Q892 HydrophobicContact CE2-CG 4.17Å; F816-Q892 HydrophobicContact CG-CB 3.69Å; F816-Q892 HydrophobicContact CG-CG 4.08Å; F816-Q892 HydrophobicContact CZ-CB 4.2Å; G889-Q892 VanDerWaalsContact C-OE1 3.23Å; G889-Q892 PolarHBondContact O-N 3.26Å; G889-Q892 PolarHBondContact O-OE1 3.47Å; G890-Q892 VanDerWaalsContact C-N 3.25Å; G890-Q892 PolarHBondContact O-N 2.74Å
893G96.6Very high97.6Very high0 Ų03.6 Ų3.60%02%0.017CC..Hα-helixtrans-65.3-44.7174.500000112.3G889 G890G889-G893 PolarHBondContact O-N 3.27Å; G890-G893 PolarHBondContact O-N 2.81Å; G890-G893 VanDerWaalsContact O-N 3.15Å
894M98.4Very high97.6Very high0 Ų03.5 Ų3.50%02%0.017CC..Hα-helixtrans-69.7-35.6-176.6-68.2-176.7-84.500113.6H858 N861 G890 A896 L897 E898 F987 F1248H858-M894 HydrophobicContact CB-CG 4.08Å; H858-M894 WeakPolarHBondContact O-CG 3.45Å; N861-M894 HydrophobicContact CB-CB 4.28Å; N861-M894 HydrophobicContact CB-CG 3.85Å; N861-M894 HydrophobicContact CB-SD 4.2Å; N861-M894 PolarHBondContact OD1-SD 3.1Å; N861-M894 VanDerWaalsContact OD1-SD 3.35Å; G890-M894 WeakPolarHBondContact O-CE 3.34Å; G890-M894 WeakPolarHBondContact O-CG 3.41Å; G890-M894 PolarHBondContact O-N 3.13Å; M894-A896 VanDerWaalsContact C-N 3.28Å; M894-A896 PolarHBondContact O-N 3.26Å; M894-L897 PolarHBondContact O-N 3.31Å; M894-E898 PolarHBondContact O-N 2.69Å; M894-E898 VanDerWaalsContact O-N 3.14Å; M894-F987 HydrophobicContact CE-CD2 4.27Å; M894-F1248 HydrophobicContact CB-CD1 4.16Å; M894-F1248 HydrophobicContact CB-CD2 4.03Å; M894-F1248 HydrophobicContact CB-CE1 3.68Å; M894-F1248 HydrophobicContact CB-CE2 3.54Å; M894-F1248 HydrophobicContact CB-CG 4.32Å; M894-F1248 HydrophobicContact CB-CZ 3.34Å; M894-F1248 HydrophobicContact CE-CB 3.79Å; M894-F1248 HydrophobicContact CE-CD1 4.16Å; M894-F1248 HydrophobicContact CE-CD2 4.13Å; M894-F1248 HydrophobicContact CE-CG 3.75Å; M894-F1248 HydrophobicContact CG-CE1 4.46Å; M894-F1248 HydrophobicContact SD-CB 4.46Å; M894-F1248 HydrophobicContact SD-CD1 3.77Å; M894-F1248 HydrophobicContact SD-CE1 4.14Å; M894-F1248 HydrophobicContact SD-CG 3.99Å
895L98.1Very high97.6Very high1 Ų13.4 Ų3.41%0.0052%0.016CC..Hα-helixtrans-59.2-36.5-175.7-176.167.8000113.2V700 F702 P891 E898 S899 F1189 F1248 F1254 F1255V700-L895 HydrophobicContact CG2-CD2 4Å; V700-L895 HydrophobicContact CG2-CG 4.38Å; F702-L895 HydrophobicContact CB-CD2 4.45Å; F702-L895 HydrophobicContact CD2-CB 3.99Å; F702-L895 HydrophobicContact CD2-CD2 3.39Å; F702-L895 HydrophobicContact CD2-CG 4.3Å; F702-L895 HydrophobicContact CE2-CB 4.21Å; F702-L895 HydrophobicContact CE2-CD2 4.01Å; F702-L895 HydrophobicContact CG-CD2 4.29Å; P891-L895 PolarHBondContact O-N 2.91Å; P891-L895 VanDerWaalsContact O-N 3.1Å; L895-E898 PolarHBondContact O-N 2.94Å; L895-S899 WeakPolarHBondContact O-CB 3.49Å; L895-S899 PolarHBondContact O-N 3.47Å; L895-S899 PolarHBondContact O-OG 3.44Å; L895-F1189 HydrophobicContact CD1-CD1 4.44Å; L895-F1189 HydrophobicContact CD1-CE1 4.1Å; L895-F1189 HydrophobicContact CD2-CE1 4.42Å; L895-F1248 HydrophobicContact CB-CE2 4.49Å; L895-F1254 HydrophobicContact CD1-CD1 4.24Å; L895-F1254 HydrophobicContact CD1-CE1 3.97Å; L895-F1255 HydrophobicContact CD1-CE2 4.03Å; L895-F1255 HydrophobicContact CD1-CZ 3.87Å
896A97.1Very high97.5Very high0 Ų03.7 Ų3.70%02%0.017CC..Hα-helixtrans-64.3-43.6-178.200000112V700 Y833 V835 M894 S899 C900V700-A896 HydrophobicContact CG1-CB 4.07Å; Y833-A896 WeakPolarHBondContact OH-CB 3.38Å; V835-A896 HydrophobicContact CG2-CB 4Å; M894-A896 VanDerWaalsContact C-N 3.28Å; M894-A896 PolarHBondContact O-N 3.26Å; A896-S899 PolarHBondContact O-N 2.84Å; A896-C900 WeakPolarHBondContact O-CB 3.48Å; A896-C900 PolarHBondContact O-N 3.4Å
897L98.1Very high97.4Very high0 Ų07.4 Ų7.40%04%0.035CC..Hα-helixtrans-71.7-39.6178.7-178.553.8000111.5I830 Y833 S859 D860 Y863 I865 M894 S899 C900 I901I830-L897 HydrophobicContact CD1-CD1 4.42Å; Y833-L897 HydrophobicContact CD1-CD1 4.23Å; Y833-L897 HydrophobicContact CD2-CD1 3.85Å; Y833-L897 HydrophobicContact CE1-CB 4.23Å; Y833-L897 HydrophobicContact CE1-CD1 4.19Å; Y833-L897 HydrophobicContact CE2-CB 4.39Å; Y833-L897 HydrophobicContact CE2-CD1 3.81Å; Y833-L897 HydrophobicContact CG-CD1 4.05Å; Y833-L897 PolarHBondContact OH-N 3.01Å; S859-L897 VanDerWaalsContact O-CD2 3.27Å; S859-L897 WeakPolarHBondContact O-CD2 3.18Å; D860-L897 WeakPolarHBondContact O-CD2 3.47Å; Y863-L897 HydrophobicContact CD2-CD2 3.65Å; Y863-L897 HydrophobicContact CD2-CG 4.01Å; Y863-L897 HydrophobicContact CE2-CG 4.49Å; Y863-L897 HydrophobicContact CG-CD2 4.46Å; I865-L897 HydrophobicContact CD1-CD1 3.8Å; I865-L897 HydrophobicContact CD1-CD2 3.88Å; M894-L897 PolarHBondContact O-N 3.31Å; L897-S899 VanDerWaalsContact C-N 3.28Å; L897-S899 PolarHBondContact O-N 2.96Å; L897-C900 HydrophobicContact CD1-CB 4.45Å; L897-C900 WeakPolarHBondContact O-CB 3.49Å; L897-C900 PolarHBondContact O-N 3.06Å; L897-I901 HydrophobicContact CD1-CD1 4.29Å; L897-I901 HydrophobicContact CD1-CG1 4.28Å; L897-I901 HydrophobicContact CG-CD1 4.1Å; L897-I901 WeakPolarHBondContact O-CG1 3.5Å; L897-I901 PolarHBondContact O-N 3.06Å
898E98.5Very high97.3Very high0 Ų08.8 Ų8.80%04%0.042CC..Hα-helixtrans-61-38.1172.9-70.5-61.7162.400112.6N861 Y863 M894 L895 T902 R916 F1248 F1255N861-E898 PolarHBondContact ND2-OE1 2.85Å; Y863-E898 VanDerWaalsContact CE2-OE1 3.26Å; Y863-E898 WeakPolarHBondContact CE2-OE1 3.38Å; Y863-E898 VanDerWaalsContact OH-CD 3.3Å; Y863-E898 PolarHBondContact OH-OE1 2.67Å; Y863-E898 PolarHBondContact OH-OE2 2.75Å; M894-E898 PolarHBondContact O-N 2.69Å; M894-E898 VanDerWaalsContact O-N 3.14Å; L895-E898 PolarHBondContact O-N 2.94Å; E898-T902 WeakPolarHBondContact O-CB 3.35Å; E898-T902 PolarHBondContact O-N 3.46Å; E898-T902 PolarHBondContact O-OG1 2.9Å; E898-R916 IonicContact OE2-CZ 3.1Å; E898-R916 IonicContact OE2-NE 3.79Å; E898-R916 PolarHBondContact OE2-NE 3.43Å; E898-R916 IonicContact OE2-NH2 3.73Å; E898-R916 PolarHBondContact OE2-NH2 2.89Å; E898-F1248 HydrophobicContact CG-CE1 3.86Å; E898-F1248 HydrophobicContact CG-CZ 3.62Å; E898-F1255 HydrophobicContact CB-CD2 4.49Å; E898-F1255 HydrophobicContact CB-CE1 4.25Å; E898-F1255 HydrophobicContact CB-CE2 3.45Å; E898-F1255 VanDerWaalsContact CB-CE2 3.45Å; E898-F1255 HydrophobicContact CB-CZ 3.3Å; E898-F1255 HydrophobicContact CG-CE2 4.12Å; E898-F1255 HydrophobicContact CG-CZ 4.42Å
899S98Very high97.2Very high3 Ų312.9 Ų12.92%0.0217%0.066CC..Hα-helixtrans-65.2-45.6175.2-59.20000111L895 A896 L897 T902 D903L895-S899 WeakPolarHBondContact O-CB 3.49Å; L895-S899 PolarHBondContact O-N 3.47Å; L895-S899 PolarHBondContact O-OG 3.44Å; A896-S899 PolarHBondContact O-N 2.84Å; L897-S899 VanDerWaalsContact C-N 3.28Å; L897-S899 PolarHBondContact O-N 2.96Å; S899-T902 PolarHBondContact O-N 3.49Å; S899-D903 WeakPolarHBondContact O-CB 3.25Å; S899-D903 VanDerWaalsContact O-CG 3.24Å; S899-D903 PolarHBondContact O-N 2.91Å
900C97.9Very high97.1Very high0 Ų014.8 Ų14.80%08%0.075CC..Hα-helixtrans-57.2-49.6174.5176.80000111.8Y820 C822 Y833 A896 L897 T902 D903 V904Y820-C900 HydrophobicContact CD2-CB 3.62Å; Y820-C900 HydrophobicContact CE1-CB 4.45Å; Y820-C900 HydrophobicContact CE2-CB 3.57Å; Y820-C900 HydrophobicContact CG-CB 4.13Å; C822-C900 PolarHBondContact SG-SG 3.17Å; Y833-C900 HydrophobicContact CE2-CB 4.05Å; A896-C900 WeakPolarHBondContact O-CB 3.48Å; A896-C900 PolarHBondContact O-N 3.4Å; L897-C900 HydrophobicContact CD1-CB 4.45Å; L897-C900 WeakPolarHBondContact O-CB 3.49Å; L897-C900 PolarHBondContact O-N 3.06Å; C900-T902 VanDerWaalsContact C-N 3.3Å; C900-T902 PolarHBondContact O-N 2.89Å; C900-D903 PolarHBondContact O-N 3.11Å; C900-V904 VanDerWaalsContact O-CG2 3.32Å; C900-V904 WeakPolarHBondContact O-CG2 3.15Å; C900-V904 PolarHBondContact O-N 3Å
901I98.4Very high97Very high0 Ų017.6 Ų17.60%09%0.088CC..Hα-helixtrans-56.9-44.9176.8-73.1165.3000111.2I830 Y863 L897 D903 V904 A905 V915 R916 I919I830-I901 HydrophobicContact CD1-CG1 3.64Å; Y863-I901 HydrophobicContact CD1-CD1 4.26Å; Y863-I901 HydrophobicContact CD2-CD1 3.52Å; Y863-I901 HydrophobicContact CE1-CD1 4.01Å; Y863-I901 HydrophobicContact CE2-CD1 3.22Å; Y863-I901 HydrophobicContact CG-CD1 4Å; Y863-I901 VanDerWaalsContact CZ-CD1 3.47Å; L897-I901 HydrophobicContact CD1-CD1 4.29Å; L897-I901 HydrophobicContact CD1-CG1 4.28Å; L897-I901 HydrophobicContact CG-CD1 4.1Å; L897-I901 WeakPolarHBondContact O-CG1 3.5Å; L897-I901 PolarHBondContact O-N 3.06Å; I901-D903 VanDerWaalsContact C-N 3.35Å; I901-V904 PolarHBondContact O-N 2.75Å; I901-A905 WeakPolarHBondContact O-CB 3.11Å; I901-A905 PolarHBondContact O-N 2.95Å; I901-V915 HydrophobicContact CG2-CB 4.03Å; I901-V915 HydrophobicContact CG2-CG1 3.77Å; I901-R916 HydrophobicContact CG2-CG 3.77Å; I901-I919 HydrophobicContact CD1-CD1 4.05Å; I901-I919 HydrophobicContact CG1-CD1 4.22Å
902T98Very high97Very high1 Ų117.9 Ų17.91%0.0069%0.09CC..Hα-helixtrans-64.6-40.5178.5-530000111.5E898 S899 C900 A905 Y906 P912 R916 F1255 K1258E898-T902 WeakPolarHBondContact O-CB 3.35Å; E898-T902 PolarHBondContact O-N 3.46Å; E898-T902 PolarHBondContact O-OG1 2.9Å; S899-T902 PolarHBondContact O-N 3.49Å; C900-T902 VanDerWaalsContact C-N 3.3Å; C900-T902 PolarHBondContact O-N 2.89Å; T902-A905 PolarHBondContact O-N 2.94Å; T902-Y906 HydrophobicContact CG2-CD1 4.42Å; T902-Y906 HydrophobicContact CG2-CD2 4.22Å; T902-Y906 HydrophobicContact CG2-CE1 3.95Å; T902-Y906 HydrophobicContact CG2-CE2 3.72Å; T902-Y906 WeakPolarHBondContact O-CB 3.21Å; T902-Y906 WeakPolarHBondContact O-CD1 3.18Å; T902-Y906 VanDerWaalsContact O-CG 3.27Å; T902-Y906 PolarHBondContact O-N 3.05Å; T902-P912 HydrophobicContact CG2-CG 4.25Å; T902-R916 PolarHBondContact OG1-NH2 3.07Å; T902-F1255 HydrophobicContact CG2-CD1 4.41Å; T902-F1255 WeakPolarHBondContact OG1-CD1 3.27Å; T902-F1255 WeakPolarHBondContact OG1-CE1 3.3Å; T902-K1258 HydrophobicContact CG2-CD 4.02Å
903D97.4Very high97Very high11 Ų1118.7 Ų18.76%0.0599%0.093CC..Hα-helixtrans-71.2-36.2179.8-67.6-23.2000112.1L696 Y820 S899 C900 I901 Y906 H907 K1258 P1273L696-D903 HydrophobicContact CD1-CB 4.28Å; L696-D903 HydrophobicContact CD2-CB 4.2Å; Y820-D903 PolarHBondContact OH-OD2 3Å; S899-D903 WeakPolarHBondContact O-CB 3.25Å; S899-D903 VanDerWaalsContact O-CG 3.24Å; S899-D903 PolarHBondContact O-N 2.91Å; C900-D903 PolarHBondContact O-N 3.11Å; I901-D903 VanDerWaalsContact C-N 3.35Å; D903-Y906 PolarHBondContact O-N 2.84Å; D903-H907 VanDerWaalsContact O-CB 3.32Å; D903-H907 WeakPolarHBondContact O-CB 3.4Å; D903-H907 PolarHBondContact O-N 2.72Å; D903-K1258 IonicContact OD1-NZ 3.9Å; D903-K1258 PolarHBondContact OD1-NZ 2.92Å; D903-K1258 IonicContact OD2-NZ 2.77Å; D903-P1273 HydrophobicContact CB-CB 3.84Å
904V97.3Very high97Very high0 Ų022.3 Ų22.30%011%0.112CC..Hα-helixtrans-60.6-47.9170168.40000110.8F824 I830 C900 I901 Y906 H907 L908F824-V904 HydrophobicContact CB-CG1 4.31Å; F824-V904 HydrophobicContact CD1-CB 4.49Å; F824-V904 HydrophobicContact CD1-CG1 4.1Å; F824-V904 HydrophobicContact CD1-CG2 3.61Å; F824-V904 HydrophobicContact CD2-CG1 3.68Å; F824-V904 HydrophobicContact CE1-CG1 4.36Å; F824-V904 HydrophobicContact CE1-CG2 3.69Å; F824-V904 HydrophobicContact CE2-CG1 3.94Å; F824-V904 HydrophobicContact CG-CG1 3.76Å; F824-V904 HydrophobicContact CG-CG2 4.14Å; F824-V904 HydrophobicContact CZ-CG1 4.27Å; F824-V904 HydrophobicContact CZ-CG2 4.22Å; I830-V904 HydrophobicContact CD1-CG2 4.37Å; I830-V904 HydrophobicContact CG1-CG2 4.43Å; C900-V904 VanDerWaalsContact O-CG2 3.32Å; C900-V904 WeakPolarHBondContact O-CG2 3.15Å; C900-V904 PolarHBondContact O-N 3Å; I901-V904 PolarHBondContact O-N 2.75Å; V904-Y906 VanDerWaalsContact C-N 3.32Å; V904-Y906 PolarHBondContact O-N 2.68Å; V904-H907 PolarHBondContact O-N 3.38Å; V904-L908 HydrophobicContact CG1-CD1 4.23Å; V904-L908 PolarHBondContact O-N 3.34Å; V904-L908 VanDerWaalsContact O-N 3.07Å
905A97.4Very high97Very high0 Ų022.3 Ų22.30%011%0.112CC..Hα-helixtrans-61.4-41.8178.600000111.7I901 T902 L908 D909 I910 P912 V915I901-A905 WeakPolarHBondContact O-CB 3.11Å; I901-A905 PolarHBondContact O-N 2.95Å; T902-A905 PolarHBondContact O-N 2.94Å; A905-L908 PolarHBondContact O-N 3.16Å; A905-D909 PolarHBondContact O-N 3.3Å; A905-I910 CarbonylContact C-O 3.58Å; A905-I910 HydrophobicContact CB-CG1 4.15Å; A905-I910 PolarHBondContact O-N 2.85Å; A905-P912 HydrophobicContact CB-CB 4.14Å; A905-P912 HydrophobicContact CB-CG 3.94Å; A905-V915 HydrophobicContact CB-CG2 4Å
906Y96.2Very high97Very high10 Ų1022.3 Ų22.34%0.03911%0.111CC..Hα-helixtrans-70.5-32.2177.6-68.9-1.5000113T902 D903 V904 D909 P912 K1258 D1259 K1262 F1274T902-Y906 HydrophobicContact CG2-CD1 4.42Å; T902-Y906 HydrophobicContact CG2-CD2 4.22Å; T902-Y906 HydrophobicContact CG2-CE1 3.95Å; T902-Y906 HydrophobicContact CG2-CE2 3.72Å; T902-Y906 WeakPolarHBondContact O-CB 3.21Å; T902-Y906 WeakPolarHBondContact O-CD1 3.18Å; T902-Y906 VanDerWaalsContact O-CG 3.27Å; T902-Y906 PolarHBondContact O-N 3.05Å; D903-Y906 PolarHBondContact O-N 2.84Å; V904-Y906 VanDerWaalsContact C-N 3.32Å; V904-Y906 PolarHBondContact O-N 2.68Å; Y906-D909 PolarHBondContact O-N 3.15Å; Y906-P912 HydrophobicContact CD1-CG 4.36Å; Y906-P912 HydrophobicContact CE1-CG 3.78Å; Y906-K1258 HydrophobicContact CE2-CG 4.33Å; Y906-D1259 WeakPolarHBondContact OH-CA 3.15Å; Y906-K1262 HydrophobicContact CD1-CD 3.74Å; Y906-K1262 HydrophobicContact CD2-CD 4Å; Y906-K1262 HydrophobicContact CE1-CD 3.45Å; Y906-K1262 VanDerWaalsContact CE1-CD 3.45Å; Y906-K1262 HydrophobicContact CE2-CB 4.14Å; Y906-K1262 HydrophobicContact CE2-CD 3.74Å; Y906-K1262 HydrophobicContact CE2-CG 4.3Å; Y906-K1262 HydrophobicContact CG-CD 4Å; Y906-K1262 VanDerWaalsContact CZ-CD 3.45Å; Y906-F1274 HydrophobicContact CD2-CE1 4.45Å; Y906-F1274 HydrophobicContact CE2-CE1 4.11Å
907H95.6Very high97Very high92 Ų9226.7 Ų26.743%0.42613%0.132SC..Hα-helixtrans-65-40.6174-177.582.3000112L696 F824 D903 V904 D909L696-H907 HydrophobicContact CD1-CB 4.19Å; F824-H907 AromaticContact CZ-CD2 3.84Å; D903-H907 VanDerWaalsContact O-CB 3.32Å; D903-H907 WeakPolarHBondContact O-CB 3.4Å; D903-H907 PolarHBondContact O-N 2.72Å; V904-H907 PolarHBondContact O-N 3.38Å; H907-D909 VanDerWaalsContact C-N 3.32Å
908L95.2Very high96.9Very high29 Ų2931.3 Ų31.315%0.15215%0.149CC..THydrogen-bonded Turntrans-86.2-0.6178.8-65.9176000114F824 G828 V904 A905 I910F824-L908 HydrophobicContact CD2-CD1 3.93Å; F824-L908 HydrophobicContact CD2-CG 4.41Å; F824-L908 HydrophobicContact CE2-CD1 3.95Å; F824-L908 HydrophobicContact CE2-CD2 4.05Å; F824-L908 HydrophobicContact CE2-CG 3.92Å; G828-L908 VanDerWaalsContact CA-CD1 3.41Å; V904-L908 HydrophobicContact CG1-CD1 4.23Å; V904-L908 PolarHBondContact O-N 3.34Å; V904-L908 VanDerWaalsContact O-N 3.07Å; A905-L908 PolarHBondContact O-N 3.16Å; L908-I910 VanDerWaalsContact C-N 3.27Å; L908-I910 HydrophobicContact CB-CD1 4.24Å; L908-I910 HydrophobicContact CB-CG1 4.07Å; L908-I910 HydrophobicContact CB-CG2 4.44Å; L908-I910 HydrophobicContact CD1-CD1 4.15Å; L908-I910 PolarHBondContact O-N 2.94Å
909D93.3Very high96.8Very high120 Ų12031.8 Ų31.864%0.64215%0.152SC*.THydrogen-bonded Turntrans50.842.4-172-159.635.8000114.2A905 Y906 H907 K1262A905-D909 PolarHBondContact O-N 3.3Å; Y906-D909 PolarHBondContact O-N 3.15Å; H907-D909 VanDerWaalsContact C-N 3.32Å; D909-K1262 IonicContact OD1-NZ 3.97Å
910I95.1Very high96.9Very high40 Ų4031.9 Ų31.921%0.20515%0.152CC..  trans-114.9171.317364.6178.3000110.9A905 L908 V915A905-I910 CarbonylContact C-O 3.58Å; A905-I910 HydrophobicContact CB-CG1 4.15Å; A905-I910 PolarHBondContact O-N 2.85Å; L908-I910 VanDerWaalsContact C-N 3.27Å; L908-I910 HydrophobicContact CB-CD1 4.24Å; L908-I910 HydrophobicContact CB-CG1 4.07Å; L908-I910 HydrophobicContact CB-CG2 4.44Å; L908-I910 HydrophobicContact CD1-CD1 4.15Å; L908-I910 PolarHBondContact O-N 2.94Å; I910-V915 HydrophobicContact CD1-CG2 3.61Å; I910-V915 HydrophobicContact CG1-CG2 4.22Å
911Q95.2Very high96.9Very high60 Ų6032 Ų3228%0.2815%0.152SC..  trans-81134.2179.7-62.7-59.4-25.200112.1E913 M914Q911-E913 VanDerWaalsContact C-N 3.31Å; Q911-E913 HydrophobicContact CB-CG 4.33Å; Q911-E913 WeakPolarHBondContact CB-OE1 3.16Å; Q911-E913 PolarHBondContact O-N 3.1Å; Q911-M914 HydrophobicContact CB-CG 4.2Å; Q911-M914 HydrophobicContact CB-SD 4.25Å; Q911-M914 WeakPolarHBondContact O-CB 3.25Å; Q911-M914 PolarHBondContact O-N 3.45Å; Q911-M914 VanDerWaalsContact O-N 3.11Å
912P97.6Very high96.8Very high6 Ų637.8 Ų37.84%0.03918%0.177CC..Hα-helixtrans-56.5-37.4-177.9-28.536.3000115.1T902 A905 Y906 M914 V915 R916T902-P912 HydrophobicContact CG2-CG 4.25Å; A905-P912 HydrophobicContact CB-CB 4.14Å; A905-P912 HydrophobicContact CB-CG 3.94Å; Y906-P912 HydrophobicContact CD1-CG 4.36Å; Y906-P912 HydrophobicContact CE1-CG 3.78Å; P912-M914 PolarHBondContact O-N 2.58Å; P912-V915 PolarHBondContact O-N 3.49Å; P912-R916 WeakPolarHBondContact O-CG 3.42Å; P912-R916 PolarHBondContact O-N 2.95Å
913E97.7Very high96.7Very high19 Ų1942.6 Ų42.69%0.08920%0.2CC..Hα-helixtrans-60.2-31.3177.960-86-159.400113.1Q911 R916 E917 W942 F951 R955 V982Q911-E913 VanDerWaalsContact C-N 3.31Å; Q911-E913 HydrophobicContact CB-CG 4.33Å; Q911-E913 WeakPolarHBondContact CB-OE1 3.16Å; Q911-E913 PolarHBondContact O-N 3.1Å; E913-R916 PolarHBondContact O-N 2.82Å; E913-E917 WeakPolarHBondContact O-CB 3.47Å; E913-E917 PolarHBondContact O-N 3.21Å; E913-W942 HydrophobicContact CB-CH2 4.19Å; E913-W942 HydrophobicContact CB-CZ2 4.15Å; E913-F951 HydrophobicContact CB-CE1 4.47Å; E913-F951 HydrophobicContact CB-CZ 4.35Å; E913-F951 HydrophobicContact CG-CE1 3.74Å; E913-F951 HydrophobicContact CG-CZ 3.96Å; E913-F951 VanDerWaalsContact OE1-CE1 3.24Å; E913-F951 WeakPolarHBondContact OE1-CE1 3.18Å; E913-F951 WeakPolarHBondContact OE1-CZ 3.32Å; E913-R955 VanDerWaalsContact CD-NH2 3.26Å; E913-R955 IonicContact OE1-CZ 3.85Å; E913-R955 IonicContact OE1-NE 2.89Å; E913-R955 PolarHBondContact OE1-NE 2.82Å; E913-R955 VanDerWaalsContact OE1-NE 3.16Å; E913-R955 IonicContact OE1-NH2 3.36Å; E913-R955 PolarHBondContact OE1-NH2 3.28Å; E913-R955 IonicContact OE2-CZ 3.4Å; E913-R955 IonicContact OE2-NH2 3.15Å; E913-R955 PolarHBondContact OE2-NH2 2.95Å; E913-V982 HydrophobicContact CB-CG1 3.79Å
914M97.2Very high96.6Very high77 Ų7743.4 Ų43.438%0.37921%0.211SC..Hα-helixtrans-69-39.8177.1-62.3179.865.900111.4Q911 P912 R918Q911-M914 HydrophobicContact CB-CG 4.2Å; Q911-M914 HydrophobicContact CB-SD 4.25Å; Q911-M914 WeakPolarHBondContact O-CB 3.25Å; Q911-M914 PolarHBondContact O-N 3.45Å; Q911-M914 VanDerWaalsContact O-N 3.11Å; P912-M914 PolarHBondContact O-N 2.58Å; M914-R918 WeakPolarHBondContact O-CD 3.29Å; M914-R918 VanDerWaalsContact O-CG 3.26Å; M914-R918 WeakPolarHBondContact O-CG 3.43Å; M914-R918 PolarHBondContact O-N 3.06Å
915V97.8Very high96.5Very high0 Ų045.4 Ų45.40%022%0.222CC..Hα-helixtrans-64.6-47.5175.2176.70000109.7G828 I901 A905 I910 P912 E917 R918 I919G828-V915 WeakPolarHBondContact O-CG1 3.37Å; I901-V915 HydrophobicContact CG2-CB 4.03Å; I901-V915 HydrophobicContact CG2-CG1 3.77Å; A905-V915 HydrophobicContact CB-CG2 4Å; I910-V915 HydrophobicContact CD1-CG2 3.61Å; I910-V915 HydrophobicContact CG1-CG2 4.22Å; P912-V915 PolarHBondContact O-N 3.49Å; V915-E917 PolarHBondContact O-N 3.35Å; V915-R918 PolarHBondContact O-N 3.13Å; V915-I919 HydrophobicContact CG1-CD1 4.36Å; V915-I919 WeakPolarHBondContact O-CG1 3.2Å; V915-I919 PolarHBondContact O-N 3.49Å
916R98.1Very high96.4Very high0 Ų050.5 Ų50.50%025%0.245CC..Hα-helixtrans-54.4-52.7178.2-69.6-174.6174.390.89.2111.8Y863 E898 I901 T902 P912 E913 R918 I919 L920 W942 V982 I983Y863-R916 HydrophobicContact CE1-CB 4.03Å; Y863-R916 HydrophobicContact CE1-CG 4.13Å; Y863-R916 WeakPolarHBondContact OH-CD 3.43Å; Y863-R916 WeakPolarHBondContact OH-CG 3.47Å; Y863-R916 PolarHBondContact OH-NE 3.46Å; E898-R916 IonicContact OE2-CZ 3.1Å; E898-R916 IonicContact OE2-NE 3.79Å; E898-R916 PolarHBondContact OE2-NE 3.43Å; E898-R916 IonicContact OE2-NH2 3.73Å; E898-R916 PolarHBondContact OE2-NH2 2.89Å; I901-R916 HydrophobicContact CG2-CG 3.77Å; T902-R916 PolarHBondContact OG1-NH2 3.07Å; P912-R916 WeakPolarHBondContact O-CG 3.42Å; P912-R916 PolarHBondContact O-N 2.95Å; E913-R916 PolarHBondContact O-N 2.82Å; R916-R918 VanDerWaalsContact C-N 3.33Å; R916-R918 PolarHBondContact O-N 3.46Å; R916-I919 PolarHBondContact O-N 3.19Å; R916-L920 WeakPolarHBondContact O-CG 3.26Å; R916-L920 PolarHBondContact O-N 2.98Å; R916-L920 VanDerWaalsContact O-N 3.15Å; R916-W942 HydrophobicContact CB-CH2 3.79Å; R916-W942 HydrophobicContact CB-CZ2 4.44Å; R916-W942 HydrophobicContact CB-CZ3 4.35Å; R916-V982 WeakPolarHBondContact CD-O 3.33Å; R916-I983 VanDerWaalsContact CZ-CD1 3.49Å; R916-I983 VanDerWaalsContact NH2-CD1 3.32Å
917E97.3Very high96.3Very high92 Ų9250.1 Ų50.143%0.4324%0.244SC..Hα-helixtrans-60.3-39.9-175.6-177.5170.6-145.400113E913 V915 I919 W942E913-E917 WeakPolarHBondContact O-CB 3.47Å; E913-E917 PolarHBondContact O-N 3.21Å; V915-E917 PolarHBondContact O-N 3.35Å; E917-I919 VanDerWaalsContact C-N 3.32Å; E917-I919 PolarHBondContact O-N 2.93Å; E917-W942 HydrophobicContact CB-CZ2 4.12Å
918R96.2Very high96.2Very high97 Ų9746.1 Ų46.137%0.36623%0.227SC..Hα-helixtrans-61.2-40.7179.6-75170.1178.2154.32112.3Q827 E829 M914 V915 R916Q827-R918 PolarHBondContact O-NH1 3.42Å; E829-R918 HydrophobicContact CG-CB 4.11Å; M914-R918 WeakPolarHBondContact O-CD 3.29Å; M914-R918 VanDerWaalsContact O-CG 3.26Å; M914-R918 WeakPolarHBondContact O-CG 3.43Å; M914-R918 PolarHBondContact O-N 3.06Å; V915-R918 PolarHBondContact O-N 3.13Å; R916-R918 VanDerWaalsContact C-N 3.33Å; R916-R918 PolarHBondContact O-N 3.46Å
919I96.9Very high96Very high11 Ų1144.8 Ų44.86%0.05622%0.22CC..Hα-helixtrans-1017.7-173.469.8-177.7000113.8E829 I830 Y863 K864 I901 V915 R916 E917E829-I919 HydrophobicContact CB-CG2 4.21Å; E829-I919 HydrophobicContact CG-CG2 4.48Å; I830-I919 HydrophobicContact CB-CD1 4.49Å; I830-I919 HydrophobicContact CD1-CD1 4.29Å; I830-I919 HydrophobicContact CG1-CD1 4.47Å; Y863-I919 CarbonylContact C-O 3.56Å; Y863-I919 VanDerWaalsContact CA-O 3.25Å; Y863-I919 WeakPolarHBondContact CA-O 3.47Å; Y863-I919 HydrophobicContact CD1-CD1 4.08Å; Y863-I919 HydrophobicContact CD1-CG1 3.61Å; Y863-I919 HydrophobicContact CE1-CG1 4.39Å; Y863-I919 HydrophobicContact CG-CD1 4.11Å; Y863-I919 HydrophobicContact CG-CG1 4.05Å; K864-I919 PolarHBondContact N-O 2.91Å; I901-I919 HydrophobicContact CD1-CD1 4.05Å; I901-I919 HydrophobicContact CG1-CD1 4.22Å; V915-I919 HydrophobicContact CG1-CD1 4.36Å; V915-I919 WeakPolarHBondContact O-CG1 3.2Å; V915-I919 PolarHBondContact O-N 3.49Å; R916-I919 PolarHBondContact O-N 3.19Å; E917-I919 VanDerWaalsContact C-N 3.32Å; E917-I919 PolarHBondContact O-N 2.93Å
920L98.3Very high95.9Very high4 Ų440.7 Ų40.72%0.02121%0.206CC..BIsolated β-bridgetrans-58.6138.9174-78.5178.5000111.7T862 Y863 R916 I938 R939 W942 P984T862-L920 WeakPolarHBondContact O-CA 3.28Å; T862-L920 WeakPolarHBondContact OG1-CD2 3.22Å; Y863-L920 HydrophobicContact CD1-CD2 4.26Å; Y863-L920 HydrophobicContact CE1-CD2 4.04Å; R916-L920 WeakPolarHBondContact O-CG 3.26Å; R916-L920 PolarHBondContact O-N 2.98Å; R916-L920 VanDerWaalsContact O-N 3.15Å; L920-I938 HydrophobicContact CD2-CG1 4.2Å; L920-R939 HydrophobicContact CB-CG 4.42Å; L920-R939 HydrophobicContact CD1-CG 4.3Å; L920-R939 PolarHBondContact O-NH2 3.21Å; L920-W942 HydrophobicContact CD1-CB 4.14Å; L920-W942 HydrophobicContact CD1-CD2 4.03Å; L920-W942 HydrophobicContact CD1-CE3 4.42Å; L920-W942 HydrophobicContact CD1-CG 3.91Å; L920-P984 HydrophobicContact CD2-CB 4.3Å; L920-P984 HydrophobicContact CD2-CG 4.16Å
921Y98.4Very high95.8Very high3 Ų339.5 Ų39.51%0.01220%0.199CC..  trans-53154.6168.6-77.4-60.9000112.7D860 T862 Y863 K864 D925 L933 R939D860-Y921 PolarHBondContact OD2-OH 3.04Å; D860-Y921 VanDerWaalsContact OD2-OH 3.11Å; T862-Y921 WeakPolarHBondContact O-CD2 3.41Å; T862-Y921 PolarHBondContact O-N 3.22Å; Y863-Y921 WeakPolarHBondContact O-CE2 3.47Å; Y863-Y921 VanDerWaalsContact O-CZ 3.25Å; Y863-Y921 PolarHBondContact O-OH 3.41Å; K864-Y921 HydrophobicContact CB-CD1 3.72Å; K864-Y921 HydrophobicContact CB-CE1 3.73Å; K864-Y921 HydrophobicContact CD-CD1 4.05Å; K864-Y921 HydrophobicContact CD-CE1 3.53Å; K864-Y921 HydrophobicContact CG-CD1 4.43Å; K864-Y921 HydrophobicContact CG-CE1 4.23Å; Y921-D925 HydrophobicContact CD1-CB 3.63Å; Y921-D925 HydrophobicContact CE1-CB 4.28Å; Y921-L933 HydrophobicContact CD1-CD1 3.86Å; Y921-L933 HydrophobicContact CD2-CD1 3.71Å; Y921-L933 HydrophobicContact CE1-CD1 4.33Å; Y921-L933 HydrophobicContact CE2-CD1 4.25Å; Y921-L933 HydrophobicContact CG-CD1 3.53Å; Y921-R939 PolarHBondContact O-NE 3.15Å
922K97Very high95.7Very high121 Ų12143.2 Ų43.253%0.52621%0.21SC..  trans-119.5162.3172.5-64.4170.5-174.4173.40109.7G924 D925K922-G924 PolarHBondContact O-N 3.13Å; K922-D925 PolarHBondContact N-OD2 2.89Å; K922-D925 WeakPolarHBondContact O-CB 3.39Å; K922-D925 PolarHBondContact O-N 2.85Å; K922-D925 VanDerWaalsContact O-N 3.15Å
923E95.6Very high95.6Very high102 Ų10242.9 Ų42.948%0.47721%0.209SC..THydrogen-bonded Turntrans-52.6130.5172.1-17965.7-159.900110.6D925 K935 C936E923-D925 VanDerWaalsContact C-N 3.31Å; E923-D925 PolarHBondContact O-N 2.9Å; E923-K935 VanDerWaalsContact CD-N 3.33Å; E923-K935 PolarHBondContact OE1-N 3.32Å; E923-K935 VanDerWaalsContact OE2-CA 3.23Å; E923-K935 WeakPolarHBondContact OE2-CA 3.44Å; E923-K935 PolarHBondContact OE2-N 3.36Å; E923-C936 PolarHBondContact OE2-N 2.87Å
924G94.9Very high95.3Very high28 Ų2846.6 Ų46.629%0.28923%0.229SC..THydrogen-bonded Turntrans84.8-6.3178.700000115.5K922 L933K922-G924 PolarHBondContact O-N 3.13Å; G924-L933 PolarHBondContact N-O 3.31Å
925D95.9Very high95.1Very high43 Ų4346.9 Ų46.923%0.2323%0.228CC..  trans-63.5157.1171.9-76.2-18.7000111.7Y921 K922 E923 L933Y921-D925 HydrophobicContact CD1-CB 3.63Å; Y921-D925 HydrophobicContact CE1-CB 4.28Å; K922-D925 PolarHBondContact N-OD2 2.89Å; K922-D925 WeakPolarHBondContact O-CB 3.39Å; K922-D925 PolarHBondContact O-N 2.85Å; K922-D925 VanDerWaalsContact O-N 3.15Å; E923-D925 VanDerWaalsContact C-N 3.31Å; E923-D925 PolarHBondContact O-N 2.9Å; D925-L933 WeakPolarHBondContact O-CB 3.36Å; D925-L933 PolarHBondContact O-N 2.93Å
926E94.2Very high94.9Very high106 Ų10647.5 Ų47.550%0.49523%0.233SC..BIsolated β-bridgetrans-107139.1176.5-64.1-175.3168.700112.1K864 R932K864-E926 PolarHBondContact NZ-O 3.44Å; E926-R932 HydrophobicContact CG-CB 4.49Å
927T95Very high94.9Very high3 Ų348.3 Ų48.32%0.01824%0.237CC..  trans-69.7165.4169.867.30000111.6F929 G930 Q931 L933 F1136T927-F929 VanDerWaalsContact CB-CE1 3.49Å; T927-F929 HydrophobicContact CG2-CE1 3.97Å; T927-F929 HydrophobicContact CG2-CE2 4.44Å; T927-F929 HydrophobicContact CG2-CZ 3.81Å; T927-F929 PolarHBondContact O-N 3.37Å; T927-F929 VanDerWaalsContact O-N 3.08Å; T927-F929 WeakPolarHBondContact OG1-CD1 3.2Å; T927-F929 VanDerWaalsContact OG1-CD2 3.31Å; T927-F929 WeakPolarHBondContact OG1-CD2 3.47Å; T927-F929 VanDerWaalsContact OG1-CE1 3.25Å; T927-F929 WeakPolarHBondContact OG1-CE1 3.49Å; T927-F929 VanDerWaalsContact OG1-CE2 3.25Å; T927-F929 WeakPolarHBondContact OG1-CE2 3.48Å; T927-F929 WeakPolarHBondContact OG1-CG 3.32Å; T927-F929 WeakPolarHBondContact OG1-CZ 3.12Å; T927-G930 PolarHBondContact O-N 2.96Å; T927-Q931 WeakPolarHBondContact CG2-O 3.25Å; T927-Q931 PolarHBondContact N-O 2.86Å; T927-Q931 PolarHBondContact OG1-N 2.88Å; T927-Q931 VanDerWaalsContact OG1-N 3.16Å; T927-Q931 PolarHBondContact OG1-O 3.32Å; T927-L933 HydrophobicContact CG2-CD1 4.49Å; T927-L933 HydrophobicContact CG2-CD2 3.73Å; T927-L933 HydrophobicContact CG2-CG 4.14Å; T927-F1136 HydrophobicContact CG2-CZ 4.28Å
928P93.1Very high94.9Very high8 Ų844 Ų445%0.05222%0.217CC..THydrogen-bonded Turntrans-59.4-22.3177.6-27.137000115L680 T682 D860 F868 G930L680-P928 HydrophobicContact CD1-CB 4.47Å; L680-P928 HydrophobicContact CD2-CB 4.09Å; L680-P928 HydrophobicContact CG-CB 4.2Å; T682-P928 HydrophobicContact CG2-CB 3.87Å; T682-P928 HydrophobicContact CG2-CG 4.42Å; D860-P928 HydrophobicContact CB-CG 3.84Å; F868-P928 HydrophobicContact CD1-CB 3.65Å; F868-P928 HydrophobicContact CD1-CG 3.74Å; F868-P928 HydrophobicContact CD2-CG 4.33Å; F868-P928 HydrophobicContact CE1-CB 3.93Å; F868-P928 HydrophobicContact CE1-CG 3.88Å; F868-P928 HydrophobicContact CE2-CG 4.45Å; F868-P928 HydrophobicContact CG-CB 4.27Å; F868-P928 HydrophobicContact CG-CG 3.97Å; F868-P928 HydrophobicContact CZ-CG 4.23Å; P928-G930 VanDerWaalsContact C-N 3.35Å
929F92.1Very high95Very high1 Ų142.7 Ų42.70%0.00421%0.212CC..THydrogen-bonded Turntrans-93.89.6176.652.7-87.4000113.2L680 F857 T927 Q931 Y1122 M1132 F1133 F1136L680-F929 HydrophobicContact CD1-CB 3.83Å; L680-F929 HydrophobicContact CD2-CD1 4.37Å; F857-F929 HydrophobicContact CB-CD1 4.37Å; F857-F929 HydrophobicContact CB-CE1 4.16Å; F857-F929 HydrophobicContact CD1-CB 4.04Å; F857-F929 AromaticContact CD1-CD1 3.7Å; F857-F929 HydrophobicContact CD1-CD1 3.7Å; F857-F929 HydrophobicContact CD1-CE1 4.27Å; F857-F929 AromaticContact CD1-CG 3.85Å; F857-F929 HydrophobicContact CD1-CG 3.85Å; F857-F929 HydrophobicContact CE1-CB 4.07Å; F857-F929 HydrophobicContact CE1-CG 4.29Å; F857-F929 HydrophobicContact CG-CD1 4.47Å; F857-F929 WeakPolarHBondContact O-CE1 3.34Å; T927-F929 VanDerWaalsContact CB-CE1 3.49Å; T927-F929 HydrophobicContact CG2-CE1 3.97Å; T927-F929 HydrophobicContact CG2-CE2 4.44Å; T927-F929 HydrophobicContact CG2-CZ 3.81Å; T927-F929 PolarHBondContact O-N 3.37Å; T927-F929 VanDerWaalsContact O-N 3.08Å; T927-F929 WeakPolarHBondContact OG1-CD1 3.2Å; T927-F929 VanDerWaalsContact OG1-CD2 3.31Å; T927-F929 WeakPolarHBondContact OG1-CD2 3.47Å; T927-F929 VanDerWaalsContact OG1-CE1 3.25Å; T927-F929 WeakPolarHBondContact OG1-CE1 3.49Å; T927-F929 VanDerWaalsContact OG1-CE2 3.25Å; T927-F929 WeakPolarHBondContact OG1-CE2 3.48Å; T927-F929 WeakPolarHBondContact OG1-CG 3.32Å; T927-F929 WeakPolarHBondContact OG1-CZ 3.12Å; F929-Q931 HydrophobicContact CD2-CB 3.79Å; F929-Q931 HydrophobicContact CE2-CB 3.39Å; F929-Q931 HydrophobicContact CE2-CG 4.36Å; F929-Q931 HydrophobicContact CZ-CB 4.31Å; F929-Y1122 HydrophobicContact CB-CD2 3.77Å; F929-Y1122 HydrophobicContact CB-CE2 3.66Å; F929-M1132 HydrophobicContact CD2-CB 4.2Å; F929-M1132 HydrophobicContact CE2-CB 3.97Å; F929-F1133 HydrophobicContact CE2-CD2 4.19Å; F929-F1133 HydrophobicContact CE2-CE2 4.17Å; F929-F1133 HydrophobicContact CZ-CD2 4.01Å; F929-F1133 AromaticContact CZ-CE2 3.79Å; F929-F1133 HydrophobicContact CZ-CE2 3.79Å; F929-F1136 HydrophobicContact CE2-CZ 4.46Å; F929-F1136 HydrophobicContact CZ-CE1 4.35Å; F929-F1136 HydrophobicContact CZ-CZ 4.02Å
930G91.3Very high95Very high34 Ų3446.7 Ų46.735%0.35123%0.226SC..SBendtrans7919.3172.900000114.8T927 P928T927-G930 PolarHBondContact O-N 2.96Å; P928-G930 VanDerWaalsContact C-N 3.35Å
931Q92.7Very high95Very high14 Ų1446.5 Ų46.57%0.06523%0.225CC..  trans-88.4121.5171.3-177.3166.1-11.100109.5T927 F929 F1133 F1136T927-Q931 WeakPolarHBondContact CG2-O 3.25Å; T927-Q931 PolarHBondContact N-O 2.86Å; T927-Q931 PolarHBondContact OG1-N 2.88Å; T927-Q931 VanDerWaalsContact OG1-N 3.16Å; T927-Q931 PolarHBondContact OG1-O 3.32Å; F929-Q931 HydrophobicContact CD2-CB 3.79Å; F929-Q931 HydrophobicContact CE2-CB 3.39Å; F929-Q931 HydrophobicContact CE2-CG 4.36Å; F929-Q931 HydrophobicContact CZ-CB 4.31Å; Q931-F1133 PolarHBondContact NE2-O 3.03Å; Q931-F1136 HydrophobicContact CG-CE2 4.09Å; Q931-F1136 HydrophobicContact CG-CZ 4.33Å
932R93.4Very high95Very high138 Ų13846.6 Ų46.652%0.52123%0.226SC..BIsolated β-bridgetrans-66.3138171.8-179176.2158.1154.37.5111.1E926 D934E926-R932 HydrophobicContact CG-CB 4.49Å; R932-D934 IonicContact CZ-OD1 3.21Å; R932-D934 IonicContact NE-OD1 3.18Å; R932-D934 PolarHBondContact NE-OD1 3.13Å; R932-D934 IonicContact NH2-OD1 2.84Å; R932-D934 PolarHBondContact O-N 3.14Å
933L94.7Very high95.1Very high0 Ų046.5 Ų46.50%023%0.227CC..  trans-91.790.8177.1-61.2179.2000110.5Y921 G924 D925 T927 C936 K986 F1136Y921-L933 HydrophobicContact CD1-CD1 3.86Å; Y921-L933 HydrophobicContact CD2-CD1 3.71Å; Y921-L933 HydrophobicContact CE1-CD1 4.33Å; Y921-L933 HydrophobicContact CE2-CD1 4.25Å; Y921-L933 HydrophobicContact CG-CD1 3.53Å; G924-L933 PolarHBondContact N-O 3.31Å; D925-L933 WeakPolarHBondContact O-CB 3.36Å; D925-L933 PolarHBondContact O-N 2.93Å; T927-L933 HydrophobicContact CG2-CD1 4.49Å; T927-L933 HydrophobicContact CG2-CD2 3.73Å; T927-L933 HydrophobicContact CG2-CG 4.14Å; L933-C936 HydrophobicContact CB-CB 4.12Å; L933-K986 HydrophobicContact CD1-CD 4.14Å; L933-K986 HydrophobicContact CD2-CD 3.75Å; L933-F1136 HydrophobicContact CD2-CD2 3.6Å; L933-F1136 HydrophobicContact CD2-CE2 3.47Å; L933-F1136 VanDerWaalsContact CD2-CE2 3.47Å; L933-F1136 HydrophobicContact CD2-CG 4.24Å; L933-F1136 HydrophobicContact CD2-CZ 3.99Å
934D91.6Very high95.1Very high97 Ų9744.2 Ų44.252%0.51922%0.216SC..THydrogen-bonded Turntrans-84.8139171.8-56.9-46.5000110.8R932 C936R932-D934 IonicContact CZ-OD1 3.21Å; R932-D934 IonicContact NE-OD1 3.18Å; R932-D934 PolarHBondContact NE-OD1 3.13Å; R932-D934 IonicContact NH2-OD1 2.84Å; R932-D934 PolarHBondContact O-N 3.14Å; D934-C936 VanDerWaalsContact C-N 3.33Å; D934-C936 PolarHBondContact O-N 3.01Å
935K91.8Very high95.3Very high82 Ų8242.9 Ų42.936%0.35720%0.202SC..THydrogen-bonded Turntrans53.746.9-175.1-51.7-170.6-171.5-1700112.5E923 N937 Y1138 A1231 D1233E923-K935 VanDerWaalsContact CD-N 3.33Å; E923-K935 PolarHBondContact OE1-N 3.32Å; E923-K935 VanDerWaalsContact OE2-CA 3.23Å; E923-K935 WeakPolarHBondContact OE2-CA 3.44Å; E923-K935 PolarHBondContact OE2-N 3.36Å; K935-N937 PolarHBondContact O-N 3.19Å; K935-Y1138 WeakPolarHBondContact O-CE2 3.5Å; K935-A1231 VanDerWaalsContact CD-O 3.29Å; K935-A1231 WeakPolarHBondContact CD-O 3.15Å; K935-A1231 PolarHBondContact NZ-O 3.14Å; K935-D1233 WeakPolarHBondContact CE-OD2 3.31Å; K935-D1233 IonicContact NZ-OD1 3.75Å; K935-D1233 PolarHBondContact NZ-OD1 2.87Å; K935-D1233 IonicContact NZ-OD2 2.86Å; K935-D1233 PolarHBondContact NZ-OD2 3.47Å
936C95.6Very high95.4Very high14 Ų1443 Ų4310%0.09520%0.202CC..  trans-70.691.3176.9-164.80000111.7E923 L933 D934 I938E923-C936 PolarHBondContact OE2-N 2.87Å; L933-C936 HydrophobicContact CB-CB 4.12Å; D934-C936 VanDerWaalsContact C-N 3.33Å; D934-C936 PolarHBondContact O-N 3.01Å; C936-I938 VanDerWaalsContact C-N 3.29Å; C936-I938 PolarHBondContact O-N 3.02Å
937N96.6Very high95.5Very high17 Ų1745.5 Ų45.59%0.09121%0.211CC..  trans-85.19.5-178.6-72.2-43.3000114.3K935 R939 R940 C941 Y1138 D1164 L1227K935-N937 PolarHBondContact O-N 3.19Å; N937-R939 VanDerWaalsContact C-N 3.34Å; N937-R939 PolarHBondContact O-N 3.05Å; N937-R940 WeakPolarHBondContact O-CB 3.45Å; N937-R940 PolarHBondContact O-N 3.29Å; N937-R940 VanDerWaalsContact O-N 3.11Å; N937-R940 WeakPolarHBondContact OD1-CD 3.31Å; N937-R940 PolarHBondContact OD1-NH1 3.07Å; N937-C941 PolarHBondContact O-N 3.09Å; N937-Y1138 HydrophobicContact CB-CD2 4.22Å; N937-D1164 HydrophobicContact CB-CB 4.44Å; N937-D1164 WeakPolarHBondContact CB-OD2 3.41Å; N937-D1164 PolarHBondContact ND2-OD2 3.07Å; N937-L1227 HydrophobicContact CB-CD2 3.69Å
938I98.1Very high95.5Very high2 Ų250.4 Ų50.41%0.0123%0.23CC..Hα-helixtrans-61.6-39.8-171.4-168.658.4000113.3T862 L920 C936 C941 W942 P984 Y1138 V1140T862-I938 HydrophobicContact CG2-CD1 3.82Å; T862-I938 HydrophobicContact CG2-CG1 3.79Å; L920-I938 HydrophobicContact CD2-CG1 4.2Å; C936-I938 VanDerWaalsContact C-N 3.29Å; C936-I938 PolarHBondContact O-N 3.02Å; I938-C941 PolarHBondContact O-N 3.33Å; I938-W942 WeakPolarHBondContact O-CB 3.38Å; I938-W942 PolarHBondContact O-N 3.32Å; I938-P984 HydrophobicContact CD1-CB 3.93Å; I938-P984 HydrophobicContact CG1-CB 4.33Å; I938-Y1138 HydrophobicContact CB-CD1 3.93Å; I938-Y1138 HydrophobicContact CB-CE1 4.49Å; I938-Y1138 HydrophobicContact CB-CG 4.43Å; I938-Y1138 HydrophobicContact CD1-CD1 4.4Å; I938-V1140 HydrophobicContact CD1-CG2 4.06Å
939R98Very high95.6Very high69 Ų6950 Ų5026%0.2623%0.227SC..Hα-helixtrans-65.6-38.2176.4-70.5-180174.8-98.5-3.3112.1L920 Y921 N937 W942 E943L920-R939 HydrophobicContact CB-CG 4.42Å; L920-R939 HydrophobicContact CD1-CG 4.3Å; L920-R939 PolarHBondContact O-NH2 3.21Å; Y921-R939 PolarHBondContact O-NE 3.15Å; N937-R939 VanDerWaalsContact C-N 3.34Å; N937-R939 PolarHBondContact O-N 3.05Å; R939-W942 WeakPolarHBondContact O-CB 3.43Å; R939-W942 PolarHBondContact O-N 2.9Å; R939-E943 WeakPolarHBondContact O-CB 3.29Å; R939-E943 VanDerWaalsContact O-CG 3.32Å; R939-E943 WeakPolarHBondContact O-CG 3.43Å; R939-E943 PolarHBondContact O-N 2.97Å
940R97.5Very high95.8Very high95 Ų9554.1 Ų54.136%0.35825%0.249SC..Hα-helixtrans-64-45174-65.9176.760.6-154.5-1.2111.6N937 W942 E944 L1227 T1228 G1229N937-R940 WeakPolarHBondContact O-CB 3.45Å; N937-R940 PolarHBondContact O-N 3.29Å; N937-R940 VanDerWaalsContact O-N 3.11Å; N937-R940 WeakPolarHBondContact OD1-CD 3.31Å; N937-R940 PolarHBondContact OD1-NH1 3.07Å; R940-W942 VanDerWaalsContact C-N 3.28Å; R940-W942 PolarHBondContact O-N 3.06Å; R940-E944 VanDerWaalsContact O-CB 3.3Å; R940-E944 WeakPolarHBondContact O-CB 3.45Å; R940-E944 PolarHBondContact O-N 2.92Å; R940-L1227 HydrophobicContact CB-CD1 4.31Å; R940-L1227 HydrophobicContact CB-CD2 4.24Å; R940-T1228 PolarHBondContact NH2-O 3.19Å; R940-G1229 PolarHBondContact NH1-O 2.7Å
941C98Very high96.1Very high0 Ų052.8 Ų52.80%023%0.233CC..Hα-helixtrans-60.3-40.7174.4-68.20000111.4N937 I938 C945 V1140 V1162N937-C941 PolarHBondContact O-N 3.09Å; I938-C941 PolarHBondContact O-N 3.33Å; C941-C945 WeakPolarHBondContact O-CB 3.46Å; C941-C945 PolarHBondContact O-N 3.46Å; C941-V1140 HydrophobicContact CB-CB 4.44Å; C941-V1140 HydrophobicContact CB-CG2 3.76Å; C941-V1162 HydrophobicContact CB-CG1 4.33Å
942W98.5Very high96.3Very high5 Ų554.9 Ų54.92%0.01925%0.253CS..Hα-helixtrans-62.7-55.7177.7-179.2-92.5000112.1E913 R916 E917 L920 I938 R939 R940 E944 C945 M946 V982 P984 V1140E913-W942 HydrophobicContact CB-CH2 4.19Å; E913-W942 HydrophobicContact CB-CZ2 4.15Å; R916-W942 HydrophobicContact CB-CH2 3.79Å; R916-W942 HydrophobicContact CB-CZ2 4.44Å; R916-W942 HydrophobicContact CB-CZ3 4.35Å; E917-W942 HydrophobicContact CB-CZ2 4.12Å; L920-W942 HydrophobicContact CD1-CB 4.14Å; L920-W942 HydrophobicContact CD1-CD2 4.03Å; L920-W942 HydrophobicContact CD1-CE3 4.42Å; L920-W942 HydrophobicContact CD1-CG 3.91Å; I938-W942 WeakPolarHBondContact O-CB 3.38Å; I938-W942 PolarHBondContact O-N 3.32Å; R939-W942 WeakPolarHBondContact O-CB 3.43Å; R939-W942 PolarHBondContact O-N 2.9Å; R940-W942 VanDerWaalsContact C-N 3.28Å; R940-W942 PolarHBondContact O-N 3.06Å; W942-E944 VanDerWaalsContact C-N 3.34Å; W942-E944 PolarHBondContact O-N 3.27Å; W942-C945 PolarHBondContact O-N 2.82Å; W942-M946 HydrophobicContact CD2-CG 4.45Å; W942-M946 HydrophobicContact CG-CG 4.44Å; W942-M946 HydrophobicContact CZ2-SD 4.45Å; W942-M946 WeakPolarHBondContact O-CB 3.43Å; W942-M946 WeakPolarHBondContact O-CG 3.42Å; W942-M946 PolarHBondContact O-N 2.87Å; W942-V982 HydrophobicContact CE3-CG2 4.18Å; W942-V982 HydrophobicContact CH2-CB 4.46Å; W942-V982 HydrophobicContact CH2-CG1 3.54Å; W942-V982 HydrophobicContact CH2-CG2 4.21Å; W942-V982 HydrophobicContact CZ2-CG1 4.14Å; W942-V982 HydrophobicContact CZ3-CB 4.44Å; W942-V982 HydrophobicContact CZ3-CG1 3.98Å; W942-V982 HydrophobicContact CZ3-CG2 3.8Å; W942-P984 HydrophobicContact CE3-CB 4.23Å; W942-P984 HydrophobicContact CE3-CG 4.47Å; W942-P984 HydrophobicContact CZ3-CB 4.38Å; W942-P984 HydrophobicContact CZ3-CG 4.19Å; W942-V1140 HydrophobicContact CB-CG2 4.19Å; W942-V1140 HydrophobicContact CE3-CG1 3.96Å; W942-V1140 HydrophobicContact CE3-CG2 4.31Å; W942-V1140 HydrophobicContact CZ3-CG1 4.48Å
943E98Very high96.5Very high118 Ų11853.8 Ų53.855%0.55125%0.254SS*.Hα-helixtrans-57.4-46.1179.8-71.7165.7-164.100111.7R939 M946 K947R939-E943 WeakPolarHBondContact O-CB 3.29Å; R939-E943 VanDerWaalsContact O-CG 3.32Å; R939-E943 WeakPolarHBondContact O-CG 3.43Å; R939-E943 PolarHBondContact O-N 2.97Å; E943-M946 PolarHBondContact O-N 2.89Å; E943-K947 WeakPolarHBondContact O-CB 3.5Å; E943-K947 PolarHBondContact O-N 2.77Å
944E97Very high96.6Very high54 Ų5454.8 Ų54.825%0.25226%0.258SS..Hα-helixtrans-67.2-39.7179.9-17068.8-177.900111.7R940 W942 K947 R948 V1162R940-E944 VanDerWaalsContact O-CB 3.3Å; R940-E944 WeakPolarHBondContact O-CB 3.45Å; R940-E944 PolarHBondContact O-N 2.92Å; W942-E944 VanDerWaalsContact C-N 3.34Å; W942-E944 PolarHBondContact O-N 3.27Å; E944-K947 PolarHBondContact O-N 2.94Å; E944-R948 HydrophobicContact CG-CG 4.41Å; E944-R948 WeakPolarHBondContact O-CB 3.43Å; E944-R948 WeakPolarHBondContact O-CG 3.33Å; E944-R948 PolarHBondContact O-N 2.93Å; E944-R948 IonicContact OE1-CZ 2.72Å; E944-R948 IonicContact OE1-NE 2.82Å; E944-R948 PolarHBondContact OE1-NE 2.85Å; E944-R948 IonicContact OE1-NH2 2.78Å; E944-R948 PolarHBondContact OE1-NH2 3.2Å; E944-V1162 HydrophobicContact CB-CG1 4.33Å; E944-V1162 HydrophobicContact CB-CG2 4.37Å; E944-V1162 HydrophobicContact CG-CG1 4.36Å; E944-V1162 HydrophobicContact CG-CG2 4.21Å
945C97.7Very high96.8Very high0 Ų050.9 Ų50.90%024%0.236CC..Hα-helixtrans-66.6-45176.7-173.60000111.2C941 W942 K947 R948 S949 V1140 V1162C941-C945 WeakPolarHBondContact O-CB 3.46Å; C941-C945 PolarHBondContact O-N 3.46Å; W942-C945 PolarHBondContact O-N 2.82Å; C945-K947 VanDerWaalsContact C-N 3.3Å; C945-K947 PolarHBondContact O-N 3.47Å; C945-R948 PolarHBondContact O-N 2.85Å; C945-S949 WeakPolarHBondContact O-CB 3.46Å; C945-S949 PolarHBondContact O-N 3.23Å; C945-S949 PolarHBondContact O-OG 3.31Å; C945-V1140 HydrophobicContact CB-CB 3.88Å; C945-V1140 HydrophobicContact CB-CG1 3.73Å; C945-V1162 HydrophobicContact CB-CB 4.18Å; C945-V1162 HydrophobicContact CB-CG2 3.75Å
946M98.1Very high97Very high47 Ų4755.6 Ų55.623%0.23225%0.251CS..Hα-helixtrans-58.3-43.5176.6-71.6-67.8-78.200111.4W942 E943 S949 L950 F951 V982W942-M946 HydrophobicContact CD2-CG 4.45Å; W942-M946 HydrophobicContact CG-CG 4.44Å; W942-M946 HydrophobicContact CZ2-SD 4.45Å; W942-M946 WeakPolarHBondContact O-CB 3.43Å; W942-M946 WeakPolarHBondContact O-CG 3.42Å; W942-M946 PolarHBondContact O-N 2.87Å; E943-M946 PolarHBondContact O-N 2.89Å; M946-S949 PolarHBondContact O-OG 3.5Å; M946-L950 PolarHBondContact O-N 3.05Å; M946-F951 HydrophobicContact CE-CB 4.05Å; M946-F951 HydrophobicContact CE-CD1 3.52Å; M946-F951 HydrophobicContact CE-CE1 4.17Å; M946-F951 HydrophobicContact CE-CG 3.85Å; M946-F951 PolarHBondContact O-N 2.85Å; M946-F951 HydrophobicContact SD-CB 3.78Å; M946-F951 HydrophobicContact SD-CD1 3.96Å; M946-F951 HydrophobicContact SD-CD2 4.12Å; M946-F951 HydrophobicContact SD-CG 3.68Å; M946-V982 HydrophobicContact SD-CB 4.42Å; M946-V982 HydrophobicContact SD-CG1 3.96Å; M946-V982 HydrophobicContact SD-CG2 4.23Å
947K97.2Very high96.9Very high157 Ų15758.7 Ų58.768%0.68327%0.27SS*.Hα-helixtrans-66.3-54.6177.2-176.5-178.5177.2-175.60112.3E943 E944 C945 S949 L950E943-K947 WeakPolarHBondContact O-CB 3.5Å; E943-K947 PolarHBondContact O-N 2.77Å; E944-K947 PolarHBondContact O-N 2.94Å; C945-K947 VanDerWaalsContact C-N 3.3Å; C945-K947 PolarHBondContact O-N 3.47Å; K947-S949 PolarHBondContact O-N 2.97Å; K947-L950 PolarHBondContact O-N 3.31Å
948R93.9Very high96.8Very high106 Ų10657.9 Ų57.940%0.427%0.265SS..Hα-helixtrans-67.1-36.1-175.5-73.4-176.8178.7-102.8-10113.4E944 C945 L950 R1158E944-R948 HydrophobicContact CG-CG 4.41Å; E944-R948 WeakPolarHBondContact O-CB 3.43Å; E944-R948 WeakPolarHBondContact O-CG 3.33Å; E944-R948 PolarHBondContact O-N 2.93Å; E944-R948 IonicContact OE1-CZ 2.72Å; E944-R948 IonicContact OE1-NE 2.82Å; E944-R948 PolarHBondContact OE1-NE 2.85Å; E944-R948 IonicContact OE1-NH2 2.78Å; E944-R948 PolarHBondContact OE1-NH2 3.2Å; C945-R948 PolarHBondContact O-N 2.85Å; R948-L950 PolarHBondContact O-N 2.89Å; R948-R1158 PolarHBondContact O-NH2 2.92Å; R948-R1158 VanDerWaalsContact O-NH2 3.1Å
949S95.3Very high96.5Very high0 Ų059.5 Ų59.50%027%0.274CS..THydrogen-bonded Turntrans-73.7-11.4178.467.50000112.9C945 M946 K947 F951 R954 D1160C945-S949 WeakPolarHBondContact O-CB 3.46Å; C945-S949 PolarHBondContact O-N 3.23Å; C945-S949 PolarHBondContact O-OG 3.31Å; M946-S949 PolarHBondContact O-OG 3.5Å; K947-S949 PolarHBondContact O-N 2.97Å; S949-F951 PolarHBondContact O-N 2.81Å; S949-F951 PolarHBondContact OG-N 3.26Å; S949-R954 WeakPolarHBondContact O-CD 3.45Å; S949-R954 PolarHBondContact O-NH1 3.21Å; S949-D1160 WeakPolarHBondContact CB-OD2 3.33Å
950L97.2Very high96Very high87 Ų8763.1 Ų63.146%0.45529%0.292SS..THydrogen-bonded Turntrans54.141.2-171-55.5173.6000111.5M946 K947 R948 A952 E953 R954M946-L950 PolarHBondContact O-N 3.05Å; K947-L950 PolarHBondContact O-N 3.31Å; R948-L950 PolarHBondContact O-N 2.89Å; L950-A952 PolarHBondContact O-N 3.22Å; L950-E953 HydrophobicContact CB-CB 4.42Å; L950-E953 PolarHBondContact O-N 3.44Å; L950-E953 VanDerWaalsContact O-N 3.14Å; L950-R954 PolarHBondContact O-N 3.14Å
951F97.8Very high95.5Very high6 Ų660.7 Ų60.73%0.02628%0.284CS..Hα-helixtrans-53.2-49.2-168.7-177.6-87.3000112.8E913 M946 S949 E953 R954 R955 I980 V982E913-F951 HydrophobicContact CB-CE1 4.47Å; E913-F951 HydrophobicContact CB-CZ 4.35Å; E913-F951 HydrophobicContact CG-CE1 3.74Å; E913-F951 HydrophobicContact CG-CZ 3.96Å; E913-F951 VanDerWaalsContact OE1-CE1 3.24Å; E913-F951 WeakPolarHBondContact OE1-CE1 3.18Å; E913-F951 WeakPolarHBondContact OE1-CZ 3.32Å; M946-F951 HydrophobicContact CE-CB 4.05Å; M946-F951 HydrophobicContact CE-CD1 3.52Å; M946-F951 HydrophobicContact CE-CE1 4.17Å; M946-F951 HydrophobicContact CE-CG 3.85Å; M946-F951 PolarHBondContact O-N 2.85Å; M946-F951 HydrophobicContact SD-CB 3.78Å; M946-F951 HydrophobicContact SD-CD1 3.96Å; M946-F951 HydrophobicContact SD-CD2 4.12Å; M946-F951 HydrophobicContact SD-CG 3.68Å; S949-F951 PolarHBondContact O-N 2.81Å; S949-F951 PolarHBondContact OG-N 3.26Å; F951-E953 VanDerWaalsContact C-N 3.34Å; F951-E953 PolarHBondContact O-N 2.67Å; F951-R954 PolarHBondContact O-N 2.99Å; F951-R955 HydrophobicContact CE1-CB 4.4Å; F951-R955 WeakPolarHBondContact O-CB 3.01Å; F951-R955 PolarHBondContact O-N 3.5Å; F951-I980 HydrophobicContact CD2-CD1 3.91Å; F951-I980 HydrophobicContact CD2-CG1 4.17Å; F951-I980 HydrophobicContact CE2-CD1 4.07Å; F951-I980 HydrophobicContact CE2-CG1 3.87Å; F951-I980 HydrophobicContact CE2-CG2 4.37Å; F951-I980 HydrophobicContact CZ-CG2 4.44Å; F951-V982 HydrophobicContact CD2-CB 4.17Å; F951-V982 HydrophobicContact CD2-CG1 4.16Å; F951-V982 HydrophobicContact CE2-CB 3.94Å; F951-V982 HydrophobicContact CE2-CG1 3.69Å; F951-V982 HydrophobicContact CZ-CG1 4.05Å
952A96.6Very high95.1Very high58 Ų5861.4 Ų61.448%0.47929%0.288SS..Hα-helixtrans-64.6-36.5-17700000113L950 R956L950-A952 PolarHBondContact O-N 3.22Å; A952-R956 WeakPolarHBondContact O-CG 3.24Å; A952-R956 PolarHBondContact O-N 3.48Å
953E97.4Very high94.2Very high116 Ų11670.1 Ų70.154%0.54232%0.32SS..Hα-helixtrans-69.2-48.1176.5-174.4-176.9163.200110.7L950 F951 R955 R956 T957L950-E953 HydrophobicContact CB-CB 4.42Å; L950-E953 PolarHBondContact O-N 3.44Å; L950-E953 VanDerWaalsContact O-N 3.14Å; F951-E953 VanDerWaalsContact C-N 3.34Å; F951-E953 PolarHBondContact O-N 2.67Å; E953-R955 PolarHBondContact O-N 2.97Å; E953-R956 PolarHBondContact O-N 3.17Å; E953-T957 PolarHBondContact O-N 3.05Å; E953-T957 PolarHBondContact O-OG1 2.86Å
954R96.6Very high92.3Very high21 Ų2167.3 Ų67.38%0.07931%0.309CS..Hα-helixtrans-63.5-40.8178.9-73.1163.965.3-167.4-0.5112.5S949 L950 F951 R956 T957 I958 I980 E1144 D1160S949-R954 WeakPolarHBondContact O-CD 3.45Å; S949-R954 PolarHBondContact O-NH1 3.21Å; L950-R954 PolarHBondContact O-N 3.14Å; F951-R954 PolarHBondContact O-N 2.99Å; R954-R956 VanDerWaalsContact C-N 3.32Å; R954-R956 PolarHBondContact O-N 2.87Å; R954-T957 PolarHBondContact O-N 3.48Å; R954-T957 VanDerWaalsContact O-N 3.14Å; R954-I958 WeakPolarHBondContact O-CB 3.49Å; R954-I958 VanDerWaalsContact O-CG1 3.3Å; R954-I958 WeakPolarHBondContact O-CG1 3.21Å; R954-I958 PolarHBondContact O-N 2.9Å; R954-I980 HydrophobicContact CB-CD1 3.8Å; R954-E1144 IonicContact CZ-OE2 3.79Å; R954-E1144 VanDerWaalsContact CZ-OE2 3.3Å; R954-E1144 IonicContact NE-OE2 2.7Å; R954-E1144 PolarHBondContact NE-OE2 2.91Å; R954-E1144 IonicContact NH2-OE2 2.79Å; R954-E1144 PolarHBondContact NH2-OE2 3.08Å; R954-D1160 IonicContact CZ-OD2 2.85Å; R954-D1160 IonicContact NH1-OD2 3.77Å; R954-D1160 PolarHBondContact NH1-OD2 2.89Å
955R96.8Very high89.8Confident15 Ų1568.1 Ų68.16%0.05733%0.325CS..Hα-helixtrans-54.7-47.7173.6176.268100.4-165.65110.9E913 F951 E953 T957 I958 D959 I980 D1259E913-R955 VanDerWaalsContact CD-NH2 3.26Å; E913-R955 IonicContact OE1-CZ 3.85Å; E913-R955 IonicContact OE1-NE 2.89Å; E913-R955 PolarHBondContact OE1-NE 2.82Å; E913-R955 VanDerWaalsContact OE1-NE 3.16Å; E913-R955 IonicContact OE1-NH2 3.36Å; E913-R955 PolarHBondContact OE1-NH2 3.28Å; E913-R955 IonicContact OE2-CZ 3.4Å; E913-R955 IonicContact OE2-NH2 3.15Å; E913-R955 PolarHBondContact OE2-NH2 2.95Å; F951-R955 HydrophobicContact CE1-CB 4.4Å; F951-R955 WeakPolarHBondContact O-CB 3.01Å; F951-R955 PolarHBondContact O-N 3.5Å; E953-R955 PolarHBondContact O-N 2.97Å; R955-T957 PolarHBondContact O-N 2.92Å; R955-I958 PolarHBondContact O-N 3Å; R955-D959 VanDerWaalsContact O-CG 3.23Å; R955-D959 PolarHBondContact O-N 3.27Å; R955-I980 HydrophobicContact CB-CG2 4.37Å; R955-I980 VanDerWaalsContact NH1-CG2 3.29Å; R955-I980 PolarHBondContact NH1-O 3.38Å; R955-D1259 IonicContact CZ-OD2 3.3Å; R955-D1259 IonicContact NH1-OD1 3Å; R955-D1259 IonicContact NH1-OD2 2.91Å; R955-D1259 PolarHBondContact NH1-OD2 3.47Å
956R95.6Very high87.1Confident181 Ų18174.5 Ų74.568%0.68336%0.355SS*.Hα-helixtrans-62.2-41.7176.7-67.2173.5-164.9163.64.3112.3A952 E953 R954 D959 K960A952-R956 WeakPolarHBondContact O-CG 3.24Å; A952-R956 PolarHBondContact O-N 3.48Å; E953-R956 PolarHBondContact O-N 3.17Å; R954-R956 VanDerWaalsContact C-N 3.32Å; R954-R956 PolarHBondContact O-N 2.87Å; R956-D959 PolarHBondContact O-N 3.31Å; R956-K960 WeakPolarHBondContact O-CB 3.48Å; R956-K960 PolarHBondContact O-N 2.93Å
957T93.5Very high84.3Confident79 Ų7972.6 Ų72.649%0.48535%0.346SS..Hα-helixtrans-63.4-41.8177.4-61.40000111.7E953 R954 R955 K960 F961E953-T957 PolarHBondContact O-N 3.05Å; E953-T957 PolarHBondContact O-OG1 2.86Å; R954-T957 PolarHBondContact O-N 3.48Å; R954-T957 VanDerWaalsContact O-N 3.14Å; R955-T957 PolarHBondContact O-N 2.92Å; T957-K960 PolarHBondContact O-N 2.97Å; T957-F961 WeakPolarHBondContact O-CB 3.07Å; T957-F961 PolarHBondContact O-N 2.82Å
958I93.2Very high81.5Confident0 Ų070.6 Ų70.60%034%0.342CS..Hα-helixtrans-67.5-45177.1-71.9167.2000111R954 R955 K960 F961 N962 R978 I980 E1144R954-I958 WeakPolarHBondContact O-CB 3.49Å; R954-I958 VanDerWaalsContact O-CG1 3.3Å; R954-I958 WeakPolarHBondContact O-CG1 3.21Å; R954-I958 PolarHBondContact O-N 2.9Å; R955-I958 PolarHBondContact O-N 3Å; I958-K960 PolarHBondContact O-N 2.85Å; I958-F961 WeakPolarHBondContact O-CB 3.42Å; I958-F961 PolarHBondContact O-N 2.59Å; I958-F961 VanDerWaalsContact O-N 3.14Å; I958-N962 WeakPolarHBondContact O-CB 3.38Å; I958-N962 PolarHBondContact O-N 2.89Å; I958-R978 HydrophobicContact CB-CB 4.39Å; I958-R978 HydrophobicContact CG1-CB 4.03Å; I958-R978 HydrophobicContact CG2-CB 3.8Å; I958-R978 WeakPolarHBondContact CG2-O 3.42Å; I958-I980 HydrophobicContact CD1-CB 3.52Å; I958-I980 HydrophobicContact CD1-CD1 4.24Å; I958-I980 HydrophobicContact CD1-CG1 4.41Å; I958-I980 HydrophobicContact CD1-CG2 3.71Å; I958-E1144 HydrophobicContact CD1-CG 3.78Å
959D91.8Very high78.7Confident36 Ų3673.5 Ų73.519%0.19335%0.353CS..Hα-helixtrans-61.1-37.4176-68.2-14.7000111.2R955 R956 R963R955-D959 VanDerWaalsContact O-CG 3.23Å; R955-D959 PolarHBondContact O-N 3.27Å; R956-D959 PolarHBondContact O-N 3.31Å; D959-R963 VanDerWaalsContact CB-NH2 3.31Å; D959-R963 WeakPolarHBondContact O-CB 3.4Å; D959-R963 VanDerWaalsContact O-CG 3.25Å; D959-R963 WeakPolarHBondContact O-CG 3.37Å; D959-R963 PolarHBondContact O-N 3.36Å; D959-R963 PolarHBondContact O-NE 2.66Å; D959-R963 IonicContact OD2-NH2 2.68Å; D959-R963 PolarHBondContact OD2-NH2 3.08Å
960K89.1Confident76.2Confident145 Ų14574.4 Ų74.463%0.6336%0.359SS*.Hα-helixtrans-66.3-45.3174.1-175.9-179.1177.7-176.80111R956 T957 I958 N962 R963 N964R956-K960 WeakPolarHBondContact O-CB 3.48Å; R956-K960 PolarHBondContact O-N 2.93Å; T957-K960 PolarHBondContact O-N 2.97Å; I958-K960 PolarHBondContact O-N 2.85Å; K960-N962 VanDerWaalsContact C-N 3.3Å; K960-N962 PolarHBondContact O-N 3.24Å; K960-R963 PolarHBondContact O-N 2.88Å; K960-N964 WeakPolarHBondContact O-CB 3.49Å; K960-N964 PolarHBondContact O-N 3.44Å
961F86.8Confident74Confident43 Ų4375.2 Ų75.219%0.18936%0.356CS..Hα-helixtrans-56.3-46.4175.8178.5-88.7000111T957 I958 K976 R978T957-F961 WeakPolarHBondContact O-CB 3.07Å; T957-F961 PolarHBondContact O-N 2.82Å; I958-F961 WeakPolarHBondContact O-CB 3.42Å; I958-F961 PolarHBondContact O-N 2.59Å; I958-F961 VanDerWaalsContact O-N 3.14Å; F961-K976 HydrophobicContact CE1-CB 4.46Å; F961-K976 HydrophobicContact CZ-CB 4.3Å; F961-R978 HydrophobicContact CD1-CB 4Å; F961-R978 HydrophobicContact CD1-CG 3.76Å; F961-R978 HydrophobicContact CE1-CB 4.36Å; F961-R978 HydrophobicContact CE1-CG 3.76Å; F961-R978 HydrophobicContact CG-CG 4.37Å; F961-R978 HydrophobicContact CZ-CG 4.35Å
962N88.6Confident71.6Confident16 Ų1678 Ų789%0.08637%0.369CS..Hα-helixtrans-72.7-36.2-178.3-74-15.5000113.9I958 K960 K977 R978 S1263I958-N962 WeakPolarHBondContact O-CB 3.38Å; I958-N962 PolarHBondContact O-N 2.89Å; K960-N962 VanDerWaalsContact C-N 3.3Å; K960-N962 PolarHBondContact O-N 3.24Å; N962-K977 HydrophobicContact CB-CD 4.37Å; N962-K977 PolarHBondContact O-NZ 3.24Å; N962-R978 PolarHBondContact ND2-O 3.33Å; N962-R978 PolarHBondContact OD1-N 2.69Å; N962-R978 PolarHBondContact OD1-O 2.92Å; N962-S1263 WeakPolarHBondContact CB-OG 3.31Å; N962-S1263 VanDerWaalsContact CG-OG 3.31Å; N962-S1263 PolarHBondContact ND2-OG 3.25Å
963R80.2Confident69.3Low187 Ų18777.8 Ų77.871%0.70636%0.359SS*.Hα-helixtrans-86-15.4-177.2-75.4-172-87.8-159.1-7.6114.7D959 K960 A965D959-R963 VanDerWaalsContact CB-NH2 3.31Å; D959-R963 WeakPolarHBondContact O-CB 3.4Å; D959-R963 VanDerWaalsContact O-CG 3.25Å; D959-R963 WeakPolarHBondContact O-CG 3.37Å; D959-R963 PolarHBondContact O-N 3.36Å; D959-R963 PolarHBondContact O-NE 2.66Å; D959-R963 IonicContact OD2-NH2 2.68Å; D959-R963 PolarHBondContact OD2-NH2 3.08Å; K960-R963 PolarHBondContact O-N 2.88Å; R963-A965 PolarHBondContact O-N 3.18Å
964N58.1Low67.4Low60 Ų6075.7 Ų75.732%0.32135%0.349SS..  trans-56.4114.8-163-147.5-8.5000110.8K960 E966 A967K960-N964 WeakPolarHBondContact O-CB 3.49Å; K960-N964 PolarHBondContact O-N 3.44Å; N964-E966 PolarHBondContact O-N 3.24Å; N964-A967 HydrophobicContact CB-CB 4.03Å; N964-A967 VanDerWaalsContact O-CA 3.29Å; N964-A967 WeakPolarHBondContact O-CA 3.36Å; N964-A967 WeakPolarHBondContact O-CB 3.26Å; N964-A967 PolarHBondContact O-N 3.49Å
965A44.1Very low66.4Low71 Ų7175.7 Ų75.759%0.58735%0.35SS*.Hα-helixtrans-65.5-22.9177.900000111.5R963 A967 I968R963-A965 PolarHBondContact O-N 3.18Å; A965-A967 PolarHBondContact O-N 3.06Å; A965-I968 WeakPolarHBondContact O-CB 3.45Å; A965-I968 PolarHBondContact O-N 3.2Å
966E40.7Very low65.9Low134 Ų13476.9 Ų76.963%0.62636%0.356SS*.Hα-helixtrans-65.7-23.8165.1-91.9-177.4155.200113N964 R969 V970N964-E966 PolarHBondContact O-N 3.24Å; E966-R969 CarbonylContact O-C 3.57Å; E966-R969 WeakPolarHBondContact O-CA 3.36Å; E966-R969 VanDerWaalsContact O-CB 3.27Å; E966-R969 WeakPolarHBondContact O-CB 3.45Å; E966-R969 PolarHBondContact O-N 3.46Å; E966-R969 VanDerWaalsContact O-N 3.11Å; E966-V970 VanDerWaalsContact O-CG2 3.22Å; E966-V970 WeakPolarHBondContact O-CG2 3.36Å; E966-V970 PolarHBondContact O-N 3Å
967A40.9Very low65.6Low6 Ų668.4 Ų68.45%0.0532%0.324CS..Hα-helixtrans-72.2-25.6170.300000113N964 A965 R969 V970 N973N964-A967 HydrophobicContact CB-CB 4.03Å; N964-A967 VanDerWaalsContact O-CA 3.29Å; N964-A967 WeakPolarHBondContact O-CA 3.36Å; N964-A967 WeakPolarHBondContact O-CB 3.26Å; N964-A967 PolarHBondContact O-N 3.49Å; A965-A967 PolarHBondContact O-N 3.06Å; A967-R969 PolarHBondContact O-N 2.64Å; A967-V970 CarbonylContact O-C 3.52Å; A967-V970 PolarHBondContact O-N 3.39Å; A967-N973 HydrophobicContact CB-CB 3.36Å
968I37.9Very low65.7Low115 Ų11566.8 Ų66.859%0.5931%0.309SS*.Hα-helixtrans-64-32.8166.7-60.9172.6000109.5A965A965-I968 WeakPolarHBondContact O-CB 3.45Å; A965-I968 PolarHBondContact O-N 3.2Å
969R34.7Very low65.9Low168 Ų16866.8 Ų66.863%0.63431%0.309SS*.Hα-helixtrans-74.2-44.8171.4-77.1-174.6177.4-164.4-0.3110.9S494 V495 E966 A967 W971S494-R969 CarbonylContact C-O 3.54Å; S494-R969 WeakPolarHBondContact CB-O 3.48Å; S494-R969 WeakPolarHBondContact OG-CA 3.47Å; S494-R969 PolarHBondContact OG-O 3.38Å; V495-R969 HydrophobicContact CG2-CB 3.74Å; E966-R969 CarbonylContact O-C 3.57Å; E966-R969 WeakPolarHBondContact O-CA 3.36Å; E966-R969 VanDerWaalsContact O-CB 3.27Å; E966-R969 WeakPolarHBondContact O-CB 3.45Å; E966-R969 PolarHBondContact O-N 3.46Å; E966-R969 VanDerWaalsContact O-N 3.11Å; A967-R969 PolarHBondContact O-N 2.64Å; R969-W971 PolarHBondContact O-N 3.21Å
970V43.5Very low66.2Low19 Ų1965.1 Ų65.112%0.11530%0.3CS..SBendtrans-8390.3174.7-160.30000110.8V495 E966 A967 E972 N973 F974V495-V970 HydrophobicContact CB-CB 3.96Å; V495-V970 HydrophobicContact CB-CG1 4.05Å; V495-V970 HydrophobicContact CB-CG2 3.6Å; V495-V970 HydrophobicContact CG1-CB 4Å; V495-V970 HydrophobicContact CG1-CG1 3.86Å; V495-V970 HydrophobicContact CG1-CG2 3.3Å; V495-V970 HydrophobicContact CG2-CB 4.44Å; V495-V970 HydrophobicContact CG2-CG2 3.8Å; E966-V970 VanDerWaalsContact O-CG2 3.22Å; E966-V970 WeakPolarHBondContact O-CG2 3.36Å; E966-V970 PolarHBondContact O-N 3Å; A967-V970 CarbonylContact O-C 3.52Å; A967-V970 PolarHBondContact O-N 3.39Å; V970-E972 HydrophobicContact CG1-CB 4.38Å; V970-E972 PolarHBondContact O-N 2.81Å; V970-N973 HydrophobicContact CB-CB 4.42Å; V970-N973 PolarHBondContact O-N 3.17Å; V970-F974 PolarHBondContact O-N 3.14Å
971W49.9Very low66.7Low104 Ų10458.5 Ų58.539%0.39427%0.272SS..Hα-helixtrans-45.7-34.8-178.6-12877.2000113.2V483 R969 N973 F974 L975V483-W971 HydrophobicContact CB-CE3 4.31Å; V483-W971 HydrophobicContact CG1-CB 4.23Å; V483-W971 HydrophobicContact CG1-CE3 4.31Å; V483-W971 HydrophobicContact CG2-CD2 3.76Å; V483-W971 HydrophobicContact CG2-CE3 3.11Å; V483-W971 HydrophobicContact CG2-CH2 4.05Å; V483-W971 HydrophobicContact CG2-CZ3 3.28Å; R969-W971 PolarHBondContact O-N 3.21Å; W971-N973 PolarHBondContact O-N 2.94Å; W971-F974 PolarHBondContact O-N 3.48Å; W971-L975 HydrophobicContact CE3-CD1 3.56Å; W971-L975 HydrophobicContact CE3-CD2 4.21Å; W971-L975 HydrophobicContact CE3-CG 4.02Å; W971-L975 HydrophobicContact CZ3-CD1 3.81Å; W971-L975 HydrophobicContact CZ3-CD2 4.07Å; W971-L975 HydrophobicContact CZ3-CG 4.3Å; W971-L975 VanDerWaalsContact O-CG 3.25Å; W971-L975 WeakPolarHBondContact O-CG 3.43Å; W971-L975 PolarHBondContact O-N 3.24Å
972E47.1Very low67.3Low64 Ų6456.5 Ų56.530%0.29926%0.263SS..Hα-helixtrans-61.2-38.1175.1-71.8-167.4152.500115.2V970 L975V970-E972 HydrophobicContact CG1-CB 4.38Å; V970-E972 PolarHBondContact O-N 2.81Å; E972-L975 PolarHBondContact O-N 3.27Å
973N48.1Very low67.8Low53 Ų5355.7 Ų55.728%0.28326%0.259SS..Hα-helixtrans-77.6-30.9178.9-74.1-22.9000111.6A967 V970 W971 L975 K976A967-N973 HydrophobicContact CB-CB 3.36Å; V970-N973 HydrophobicContact CB-CB 4.42Å; V970-N973 PolarHBondContact O-N 3.17Å; W971-N973 PolarHBondContact O-N 2.94Å; N973-L975 PolarHBondContact O-N 2.92Å; N973-K976 PolarHBondContact O-N 3.38Å; N973-K976 VanDerWaalsContact O-N 3.17Å
974F59.5Low68.6Low73 Ų7346.8 Ų46.832%0.3223%0.225SC..Hα-helixtrans-60.6-33.2171.8-173.9-99.9000111.7V970 W971 K976 D1267V970-F974 PolarHBondContact O-N 3.14Å; W971-F974 PolarHBondContact O-N 3.48Å; F974-K976 VanDerWaalsContact C-N 3.3Å; F974-K976 PolarHBondContact O-N 3.23Å; F974-D1267 HydrophobicContact CE2-CB 4.26Å; F974-D1267 HydrophobicContact CZ-CB 4.46Å
975L74.2Confident70.6Confident20 Ų2044 Ų4411%0.10521%0.21CC..THydrogen-bonded Turntrans-82.8-3179.3-61.2174.6000114.1W971 E972 N973 C1149 L1150W971-L975 HydrophobicContact CE3-CD1 3.56Å; W971-L975 HydrophobicContact CE3-CD2 4.21Å; W971-L975 HydrophobicContact CE3-CG 4.02Å; W971-L975 HydrophobicContact CZ3-CD1 3.81Å; W971-L975 HydrophobicContact CZ3-CD2 4.07Å; W971-L975 HydrophobicContact CZ3-CG 4.3Å; W971-L975 VanDerWaalsContact O-CG 3.25Å; W971-L975 WeakPolarHBondContact O-CG 3.43Å; W971-L975 PolarHBondContact O-N 3.24Å; E972-L975 PolarHBondContact O-N 3.27Å; N973-L975 PolarHBondContact O-N 2.92Å; L975-C1149 VanDerWaalsContact O-CB 3.25Å; L975-C1149 WeakPolarHBondContact O-CB 3.22Å; L975-C1149 PolarHBondContact O-N 2.87Å; L975-C1149 PolarHBondContact O-SG 2.81Å; L975-L1150 HydrophobicContact CB-CG 4.35Å; L975-L1150 HydrophobicContact CD1-CD1 3.39Å; L975-L1150 HydrophobicContact CD1-CG 4.06Å; L975-L1150 HydrophobicContact CD2-CD1 3.68Å; L975-L1150 HydrophobicContact CD2-CD2 3.8Å; L975-L1150 HydrophobicContact CD2-CG 3.55Å; L975-L1150 HydrophobicContact CG-CD1 3.99Å; L975-L1150 HydrophobicContact CG-CG 4.14Å
976K85.7Confident73.1Confident40 Ų4040.6 Ų40.617%0.17418%0.182CC..EExtended strand (participates in β ladder)trans-126.5136.6-177-72.5179163.8-155.20110.7F501 F961 N973 F974 E1146 V1147F501-K976 VanDerWaalsContact CE2-NZ 3.26Å; F961-K976 HydrophobicContact CE1-CB 4.46Å; F961-K976 HydrophobicContact CZ-CB 4.3Å; N973-K976 PolarHBondContact O-N 3.38Å; N973-K976 VanDerWaalsContact O-N 3.17Å; F974-K976 VanDerWaalsContact C-N 3.3Å; F974-K976 PolarHBondContact O-N 3.23Å; K976-E1146 WeakPolarHBondContact CD-OE1 3.39Å; K976-E1146 IonicContact NZ-OE1 3.35Å; K976-E1146 PolarHBondContact NZ-OE1 3.11Å; K976-V1147 VanDerWaalsContact CA-O 3.28Å; K976-V1147 WeakPolarHBondContact CA-O 3.06Å
977K91.2Very high75.8Confident4 Ų434.3 Ų34.32%0.01715%0.153CC..EExtended strand (participates in β ladder)trans-128.5141.7176.3-65.1-64.3179.7169.90110.5N962 E1146 V1147 A1260 A1264 D1267N962-K977 HydrophobicContact CB-CD 4.37Å; N962-K977 PolarHBondContact O-NZ 3.24Å; K977-E1146 CarbonylContact O-C 3.54Å; K977-E1146 WeakPolarHBondContact O-CA 3.48Å; K977-V1147 PolarHBondContact N-O 2.98Å; K977-V1147 PolarHBondContact O-N 3.43Å; K977-A1260 HydrophobicContact CB-CB 4.2Å; K977-A1260 WeakPolarHBondContact CB-O 2.96Å; K977-A1264 HydrophobicContact CG-CB 3.97Å; K977-D1267 WeakPolarHBondContact CE-OD2 3.36Å; K977-D1267 VanDerWaalsContact NZ-CG 3.29Å; K977-D1267 IonicContact NZ-OD1 2.75Å; K977-D1267 PolarHBondContact NZ-OD1 3.28Å; K977-D1267 IonicContact NZ-OD2 3.48Å; K977-D1267 PolarHBondContact NZ-OD2 3.43Å
978R95.1Very high78.5Confident44 Ų4434 Ų3417%0.16615%0.151CC..EExtended strand (participates in β ladder)trans-102.6151.6170.3-72.4-175.9-177.7-167.93.8110.4I958 F961 N962 E1144 V1145 E1146 I1157I958-R978 HydrophobicContact CB-CB 4.39Å; I958-R978 HydrophobicContact CG1-CB 4.03Å; I958-R978 HydrophobicContact CG2-CB 3.8Å; I958-R978 WeakPolarHBondContact CG2-O 3.42Å; F961-R978 HydrophobicContact CD1-CB 4Å; F961-R978 HydrophobicContact CD1-CG 3.76Å; F961-R978 HydrophobicContact CE1-CB 4.36Å; F961-R978 HydrophobicContact CE1-CG 3.76Å; F961-R978 HydrophobicContact CG-CG 4.37Å; F961-R978 HydrophobicContact CZ-CG 4.35Å; N962-R978 PolarHBondContact ND2-O 3.33Å; N962-R978 PolarHBondContact OD1-N 2.69Å; N962-R978 PolarHBondContact OD1-O 2.92Å; R978-E1144 IonicContact NH1-OE1 2.72Å; R978-V1145 WeakPolarHBondContact CA-O 3.35Å; R978-V1145 WeakPolarHBondContact CB-O 3.43Å; R978-E1146 HydrophobicContact CG-CB 4Å; R978-E1146 HydrophobicContact CG-CG 4.14Å; R978-E1146 IonicContact CZ-OE2 2.9Å; R978-E1146 IonicContact NE-OE2 3.56Å; R978-E1146 PolarHBondContact NE-OE2 2.75Å; R978-E1146 IonicContact NH2-OE2 3.51Å; R978-E1146 PolarHBondContact NH2-OE2 3.08Å; R978-I1157 HydrophobicContact CG-CD1 4.4Å
979G97.5Very high81.2Confident0 Ų028.6 Ų28.60%012%0.123CC..EExtended strand (participates in β ladder)trans-144.2153.5174.900000110.4E1144 V1145 A1256 D1259G979-E1144 WeakPolarHBondContact O-CA 3.38Å; G979-V1145 PolarHBondContact N-O 2.77Å; G979-V1145 VanDerWaalsContact N-O 3.07Å; G979-V1145 PolarHBondContact O-N 2.91Å; G979-A1256 WeakPolarHBondContact CA-O 3.45Å; G979-D1259 WeakPolarHBondContact CA-OD2 3.13Å
980I98.6Very high84Confident1 Ų120.6 Ų20.61%0.0059%0.092CC..EExtended strand (participates in β ladder)trans-137.8141.7177.9-169.9170.2000110F951 R954 R955 I958 S1143 E1144 D1259F951-I980 HydrophobicContact CD2-CD1 3.91Å; F951-I980 HydrophobicContact CD2-CG1 4.17Å; F951-I980 HydrophobicContact CE2-CD1 4.07Å; F951-I980 HydrophobicContact CE2-CG1 3.87Å; F951-I980 HydrophobicContact CE2-CG2 4.37Å; F951-I980 HydrophobicContact CZ-CG2 4.44Å; R954-I980 HydrophobicContact CB-CD1 3.8Å; R955-I980 HydrophobicContact CB-CG2 4.37Å; R955-I980 VanDerWaalsContact NH1-CG2 3.29Å; R955-I980 PolarHBondContact NH1-O 3.38Å; I958-I980 HydrophobicContact CD1-CB 3.52Å; I958-I980 HydrophobicContact CD1-CD1 4.24Å; I958-I980 HydrophobicContact CD1-CG1 4.41Å; I958-I980 HydrophobicContact CD1-CG2 3.71Å; I980-S1143 WeakPolarHBondContact CA-O 3.27Å; I980-S1143 WeakPolarHBondContact CG1-O 3.38Å; I980-E1144 HydrophobicContact CG1-CB 4.39Å; I980-D1259 PolarHBondContact N-OD2 3.23Å; I980-D1259 VanDerWaalsContact N-OD2 3.1Å
981S98.7Very high86.3Confident7 Ų720.4 Ų20.45%0.0499%0.09CC..EExtended strand (participates in β ladder)trans-146.1148.6176.5-168.30000111.5C1142 S1143 S1252 F1255S981-C1142 CarbonylContact O-C 3.58Å; S981-C1142 VanDerWaalsContact O-CA 3.3Å; S981-C1142 WeakPolarHBondContact O-CA 3.46Å; S981-S1143 PolarHBondContact N-O 3.36Å; S981-S1143 PolarHBondContact O-N 2.96Å; S981-S1252 WeakPolarHBondContact CB-O 3.47Å; S981-F1255 WeakPolarHBondContact OG-CB 3.5Å
982V98.7Very high87.9Confident0 Ų016.9 Ų16.90%09%0.087CC..EExtended strand (participates in β ladder)trans-124123.4173.958.10000109E913 R916 W942 M946 F951 V1140 G1141 C1142E913-V982 HydrophobicContact CB-CG1 3.79Å; R916-V982 WeakPolarHBondContact CD-O 3.33Å; W942-V982 HydrophobicContact CE3-CG2 4.18Å; W942-V982 HydrophobicContact CH2-CB 4.46Å; W942-V982 HydrophobicContact CH2-CG1 3.54Å; W942-V982 HydrophobicContact CH2-CG2 4.21Å; W942-V982 HydrophobicContact CZ2-CG1 4.14Å; W942-V982 HydrophobicContact CZ3-CB 4.44Å; W942-V982 HydrophobicContact CZ3-CG1 3.98Å; W942-V982 HydrophobicContact CZ3-CG2 3.8Å; M946-V982 HydrophobicContact SD-CB 4.42Å; M946-V982 HydrophobicContact SD-CG1 3.96Å; M946-V982 HydrophobicContact SD-CG2 4.23Å; F951-V982 HydrophobicContact CD2-CB 4.17Å; F951-V982 HydrophobicContact CD2-CG1 4.16Å; F951-V982 HydrophobicContact CE2-CB 3.94Å; F951-V982 HydrophobicContact CE2-CG1 3.69Å; F951-V982 HydrophobicContact CZ-CG1 4.05Å; V982-V1140 HydrophobicContact CG2-CG1 3.42Å; V982-V1140 VanDerWaalsContact CG2-CG1 3.42Å; V982-G1141 CarbonylContact C-O 3.58Å; V982-G1141 WeakPolarHBondContact CA-O 3.47Å; V982-C1142 HydrophobicContact CB-CB 4.36Å; V982-C1142 HydrophobicContact CG2-CB 4.34Å
983I98.7Very high89.6Confident0 Ų017.9 Ų17.90%09%0.093CC..EExtended strand (participates in β ladder)trans-123.4125.3-174.6-58.5-63.3000110R916 V1140 G1141 F1248 L1249 F1255R916-I983 VanDerWaalsContact CZ-CD1 3.49Å; R916-I983 VanDerWaalsContact NH2-CD1 3.32Å; I983-V1140 WeakPolarHBondContact O-CA 3.42Å; I983-G1141 PolarHBondContact N-O 2.8Å; I983-G1141 PolarHBondContact O-N 3.34Å; I983-F1248 HydrophobicContact CG2-CD1 4.2Å; I983-F1248 HydrophobicContact CG2-CE1 3.8Å; I983-L1249 WeakPolarHBondContact O-CD2 3.29Å; I983-F1255 HydrophobicContact CD1-CB 4.17Å; I983-F1255 HydrophobicContact CD1-CD2 3.45Å; I983-F1255 VanDerWaalsContact CD1-CD2 3.45Å; I983-F1255 HydrophobicContact CD1-CE2 4.14Å; I983-F1255 HydrophobicContact CD1-CG 3.99Å; I983-F1255 HydrophobicContact CG1-CD2 3.98Å
984P98.7Very high91.5Very high0 Ų021.3 Ų21.30%011%0.105CC..EExtended strand (participates in β ladder)trans-87.9157171.937.2-32.8000111.6N861 T862 Y863 L920 I938 W942 G1139 V1140N861-P984 PolarHBondContact ND2-O 3.14Å; T862-P984 HydrophobicContact CG2-CB 3.89Å; T862-P984 HydrophobicContact CG2-CG 4.27Å; T862-P984 WeakPolarHBondContact OG1-CG 3.12Å; Y863-P984 HydrophobicContact CE1-CG 4Å; Y863-P984 WeakPolarHBondContact OH-CD 3.39Å; Y863-P984 WeakPolarHBondContact OH-CG 3.36Å; L920-P984 HydrophobicContact CD2-CB 4.3Å; L920-P984 HydrophobicContact CD2-CG 4.16Å; I938-P984 HydrophobicContact CD1-CB 3.93Å; I938-P984 HydrophobicContact CG1-CB 4.33Å; W942-P984 HydrophobicContact CE3-CB 4.23Å; W942-P984 HydrophobicContact CE3-CG 4.47Å; W942-P984 HydrophobicContact CZ3-CB 4.38Å; W942-P984 HydrophobicContact CZ3-CG 4.19Å; P984-G1139 CarbonylContact C-O 3.58Å; P984-G1139 WeakPolarHBondContact CA-O 3.38Å; P984-V1140 HydrophobicContact CB-CG2 4.08Å
985T98.6Very high92.9Very high0 Ų025.2 Ų25.20%012%0.122CC..EExtended strand (participates in β ladder)trans-138.7137.2172.8-169.60000111.6N861 Y1138 G1139 M1163 L1249N861-T985 WeakPolarHBondContact OD1-CA 3.41Å; T985-Y1138 WeakPolarHBondContact O-CA 3.46Å; T985-G1139 PolarHBondContact N-O 2.85Å; T985-G1139 PolarHBondContact O-N 3.46Å; T985-G1139 VanDerWaalsContact O-N 3.07Å; T985-M1163 HydrophobicContact CG2-CE 4.26Å; T985-L1249 HydrophobicContact CG2-CD1 4.39Å; T985-L1249 HydrophobicContact CG2-CD2 3.6Å; T985-L1249 HydrophobicContact CG2-CG 3.92Å
986K98.1Very high93.8Very high1 Ų126.2 Ų26.20%0.00413%0.127CC..EExtended strand (participates in β ladder)trans-120.7121.3165165.4176.362.5550107.6D860 N861 T862 L933 F1136 Y1138D860-K986 IonicContact OD1-NZ 2.82Å; D860-K986 PolarHBondContact OD1-NZ 3.04Å; D860-K986 IonicContact OD2-NZ 3.16Å; D860-K986 PolarHBondContact OD2-NZ 3.01Å; N861-K986 WeakPolarHBondContact O-CE 3.49Å; N861-K986 PolarHBondContact O-NZ 2.87Å; N861-K986 PolarHBondContact OD1-N 3.24Å; T862-K986 HydrophobicContact CG2-CB 3.74Å; T862-K986 VanDerWaalsContact CG2-N 3.32Å; L933-K986 HydrophobicContact CD1-CD 4.14Å; L933-K986 HydrophobicContact CD2-CD 3.75Å; K986-F1136 HydrophobicContact CD-CB 4.45Å; K986-F1136 HydrophobicContact CD-CD1 3.72Å; K986-F1136 HydrophobicContact CD-CE1 4.11Å; K986-F1136 HydrophobicContact CD-CG 4.05Å; K986-F1136 HydrophobicContact CG-CB 4.05Å; K986-F1136 HydrophobicContact CG-CD1 3.51Å; K986-F1136 HydrophobicContact CG-CE1 4.24Å; K986-F1136 HydrophobicContact CG-CG 3.98Å; K986-Y1138 HydrophobicContact CB-CD1 4.04Å; K986-Y1138 HydrophobicContact CB-CE1 4.07Å; K986-Y1138 HydrophobicContact CD-CE1 3.94Å; K986-Y1138 HydrophobicContact CG-CD1 4.24Å; K986-Y1138 HydrophobicContact CG-CE1 3.83Å
987F97.8Very high94.2Very high2 Ų224.6 Ų24.61%0.00912%0.121CC..EExtended strand (participates in β ladder)trans-125125.2-179.5-160.6-86.3000111.8G887 M894 I989 F1136 T1137 E1244 P1245G887-F987 WeakPolarHBondContact O-CE2 3.21Å; G887-F987 WeakPolarHBondContact O-CZ 3.42Å; M894-F987 HydrophobicContact CE-CD2 4.27Å; F987-I989 HydrophobicContact CD1-CD1 4.03Å; F987-F1136 WeakPolarHBondContact O-CA 3.42Å; F987-T1137 PolarHBondContact N-O 2.99Å; F987-T1137 PolarHBondContact O-N 3.19Å; F987-E1244 HydrophobicContact CE1-CB 4Å; F987-E1244 HydrophobicContact CZ-CB 3.91Å; F987-P1245 HydrophobicContact CB-CB 3.68Å; F987-P1245 HydrophobicContact CB-CG 3.8Å; F987-P1245 HydrophobicContact CD1-CB 4.48Å; F987-P1245 HydrophobicContact CD1-CG 3.82Å; F987-P1245 HydrophobicContact CG-CB 4.12Å; F987-P1245 HydrophobicContact CG-CG 3.95Å
988G95.7Very high94.5Very high0 Ų027.3 Ų27.30%013%0.133CC..EExtended strand (participates in β ladder)trans-79.2122.1-179.400000112.8R854 H858 F1133 F1136R854-G988 PolarHBondContact NH1-O 2.83Å; H858-G988 PolarHBondContact NE2-N 3.34Å; G988-F1133 VanDerWaalsContact C-CD1 3.46Å; G988-F1133 VanDerWaalsContact CA-CG 3.44Å; G988-F1133 WeakPolarHBondContact O-CD1 3.37Å; G988-F1136 VanDerWaalsContact CA-CD1 3.48Å
989I96Very high94.6Very high0 Ų025.4 Ų25.40%013%0.127CC..EExtended strand (participates in β ladder)trans-93.7132.3-175.9-54.6-62.8000111.8F987 F1063 F1133 S1134 Y1135 T1137 P1245F987-I989 HydrophobicContact CD1-CD1 4.03Å; I989-F1063 HydrophobicContact CG2-CB 4.11Å; I989-F1063 HydrophobicContact CG2-CD2 3.66Å; I989-F1063 HydrophobicContact CG2-CE2 4.44Å; I989-F1063 HydrophobicContact CG2-CG 4.14Å; I989-F1133 WeakPolarHBondContact O-CA 3.47Å; I989-F1133 WeakPolarHBondContact O-CB 3.46Å; I989-S1134 PolarHBondContact O-N 3.49Å; I989-Y1135 HydrophobicContact CB-CD2 4.24Å; I989-Y1135 HydrophobicContact CB-CE1 4.46Å; I989-Y1135 HydrophobicContact CB-CE2 3.81Å; I989-Y1135 HydrophobicContact CG1-CD2 4.02Å; I989-Y1135 HydrophobicContact CG1-CE2 3.51Å; I989-Y1135 HydrophobicContact CG2-CE1 4.31Å; I989-Y1135 HydrophobicContact CG2-CE2 4.12Å; I989-Y1135 PolarHBondContact N-O 3.33Å; I989-T1137 WeakPolarHBondContact CG1-OG1 3.43Å; I989-P1245 HydrophobicContact CD1-CG 3.8Å
990G93Very high94.6Very high0 Ų026 Ų260%013%0.133CC..SBendtrans114.5163.9-177.100000113R854 A1061R854-G990 PolarHBondContact NH2-O 3.49Å; G990-A1061 PolarHBondContact N-O 3.37Å
991F91.3Very high94.6Very high15 Ų1526.1 Ų26.17%0.06613%0.134CC..  trans-74.5143.2-179.2-70.9-86.5000111.9I993 L996 N997 P1058 A1060 A1061 L1067F991-I993 PolarHBondContact O-N 3.17Å; F991-L996 HydrophobicContact CB-CB 3.72Å; F991-L996 HydrophobicContact CB-CD1 4.48Å; F991-L996 HydrophobicContact CD1-CB 3.84Å; F991-L996 HydrophobicContact CD1-CD1 3.75Å; F991-L996 HydrophobicContact CD1-CG 4.47Å; F991-L996 HydrophobicContact CD2-CB 3.82Å; F991-L996 VanDerWaalsContact CD2-O 3.27Å; F991-L996 WeakPolarHBondContact CD2-O 3.48Å; F991-L996 HydrophobicContact CE1-CB 4.41Å; F991-L996 HydrophobicContact CE1-CD1 4.27Å; F991-L996 HydrophobicContact CE2-CB 4.39Å; F991-L996 HydrophobicContact CG-CB 3.51Å; F991-L996 HydrophobicContact CG-CD1 4.24Å; F991-N997 PolarHBondContact N-OD1 3.45Å; F991-N997 PolarHBondContact O-ND2 3.47Å; F991-P1058 HydrophobicContact CE1-CG 3.93Å; F991-P1058 HydrophobicContact CZ-CG 4.05Å; F991-P1058 WeakPolarHBondContact CZ-O 3.14Å; F991-A1060 HydrophobicContact CE1-CB 3.93Å; F991-A1060 HydrophobicContact CZ-CB 3.94Å; F991-A1061 HydrophobicContact CD1-CB 3.79Å; F991-A1061 HydrophobicContact CD2-CB 4.07Å; F991-A1061 HydrophobicContact CE1-CB 3.78Å; F991-A1061 HydrophobicContact CE2-CB 4.05Å; F991-A1061 HydrophobicContact CG-CB 3.93Å; F991-A1061 HydrophobicContact CZ-CB 3.9Å; F991-L1067 HydrophobicContact CE2-CD1 4.44Å
992G83.5Confident94.6Very high31 Ų3127.2 Ų27.232%0.3214%0.139SC..SBendtrans-63.7-19.6173.200000113.4M1132G992-M1132 WeakPolarHBondContact O-CE 3.5Å
993I83.9Confident94.6Very high84 Ų8427.2 Ų27.243%0.43114%0.139SC..SBendtrans-109.9117.4-176.3-51.8177.4000108.2F991 K995 L996 N997F991-I993 PolarHBondContact O-N 3.17Å; I993-K995 VanDerWaalsContact C-N 3.28Å; I993-K995 HydrophobicContact CG2-CD 4.43Å; I993-K995 HydrophobicContact CG2-CG 3.85Å; I993-K995 PolarHBondContact O-N 3.3Å; I993-K995 VanDerWaalsContact O-N 3.13Å; I993-L996 HydrophobicContact CB-CD1 4.11Å; I993-L996 HydrophobicContact CB-CG 4.21Å; I993-L996 HydrophobicContact CD1-CD1 4.16Å; I993-L996 PolarHBondContact O-N 3.38Å; I993-N997 PolarHBondContact O-ND2 3.32Å
994K86.7Confident94.6Very high126 Ų12628.9 Ų28.955%0.54815%0.148SC..G310 helixtrans-47.8-46.6-175.4-176.9177178.51730113.3L996 N997 L1119K994-L996 PolarHBondContact O-N 2.9Å; K994-L996 VanDerWaalsContact O-N 3.16Å; K994-N997 PolarHBondContact O-N 3.43Å; K994-N997 VanDerWaalsContact O-N 3.1Å; K994-L1119 WeakPolarHBondContact CD-O 3.36Å; K994-L1119 VanDerWaalsContact CE-O 3.23Å; K994-L1119 WeakPolarHBondContact CE-O 3.12Å
995K89.8Confident94.6Very high155 Ų15529.2 Ų29.267%0.67415%0.15SC*.G310 helixtrans-63.2-19.6-176.473.6-178.5179173.30114.7I993 Q998I993-K995 VanDerWaalsContact C-N 3.28Å; I993-K995 HydrophobicContact CG2-CD 4.43Å; I993-K995 HydrophobicContact CG2-CG 3.85Å; I993-K995 PolarHBondContact O-N 3.3Å; I993-K995 VanDerWaalsContact O-N 3.13Å; K995-Q998 PolarHBondContact O-NE2 3.38Å
996L93.3Very high94.6Very high41 Ų4134.6 Ų34.622%0.21517%0.171CC..G310 helixtrans-86.8-10.5179-60.6-179.2000112.6F991 I993 K994 Q998 S1057F991-L996 HydrophobicContact CB-CB 3.72Å; F991-L996 HydrophobicContact CB-CD1 4.48Å; F991-L996 HydrophobicContact CD1-CB 3.84Å; F991-L996 HydrophobicContact CD1-CD1 3.75Å; F991-L996 HydrophobicContact CD1-CG 4.47Å; F991-L996 HydrophobicContact CD2-CB 3.82Å; F991-L996 VanDerWaalsContact CD2-O 3.27Å; F991-L996 WeakPolarHBondContact CD2-O 3.48Å; F991-L996 HydrophobicContact CE1-CB 4.41Å; F991-L996 HydrophobicContact CE1-CD1 4.27Å; F991-L996 HydrophobicContact CE2-CB 4.39Å; F991-L996 HydrophobicContact CG-CB 3.51Å; F991-L996 HydrophobicContact CG-CD1 4.24Å; I993-L996 HydrophobicContact CB-CD1 4.11Å; I993-L996 HydrophobicContact CB-CG 4.21Å; I993-L996 HydrophobicContact CD1-CD1 4.16Å; I993-L996 PolarHBondContact O-N 3.38Å; K994-L996 PolarHBondContact O-N 2.9Å; K994-L996 VanDerWaalsContact O-N 3.16Å; L996-Q998 PolarHBondContact O-N 3.18Å; L996-S1057 WeakPolarHBondContact CA-OG 3.44Å; L996-S1057 VanDerWaalsContact O-CB 3.29Å; L996-S1057 WeakPolarHBondContact O-CB 3.31Å; L996-S1057 PolarHBondContact O-OG 3.01Å
997N94.4Very high94.5Very high6 Ų641.8 Ų41.83%0.03220%0.198CC..SBendtrans-84.368.9177-64.8-73000109.8F991 I993 K994 F1063 P1117 L1119F991-N997 PolarHBondContact N-OD1 3.45Å; F991-N997 PolarHBondContact O-ND2 3.47Å; I993-N997 PolarHBondContact O-ND2 3.32Å; K994-N997 PolarHBondContact O-N 3.43Å; K994-N997 VanDerWaalsContact O-N 3.1Å; N997-F1063 HydrophobicContact CB-CE1 4.42Å; N997-P1117 HydrophobicContact CB-CG 4Å; N997-P1117 WeakPolarHBondContact O-CD 3.2Å; N997-L1119 HydrophobicContact CB-CD1 4Å; N997-L1119 WeakPolarHBondContact ND2-CD1 3.39Å
998Q96Very high94.5Very high61 Ų6146.7 Ų46.729%0.28523%0.225SC..  trans-153.1152174.761.6-177.7-54.100111.6K995 L996 F1114 Y1115K995-Q998 PolarHBondContact O-NE2 3.38Å; L996-Q998 PolarHBondContact O-N 3.18Å; Q998-F1114 HydrophobicContact CB-CE2 4.15Å; Q998-F1114 HydrophobicContact CB-CZ 3.91Å; Q998-F1114 VanDerWaalsContact OE1-CZ 3.28Å; Q998-Y1115 VanDerWaalsContact CA-O 3.26Å; Q998-Y1115 WeakPolarHBondContact CA-O 3.38Å
999A97.6Very high94.5Very high4 Ų446.8 Ų46.83%0.03323%0.225CC..EExtended strand (participates in β ladder)trans-150149.4169.800000111.9L1067 A1071 F1114 Y1115A999-L1067 HydrophobicContact CB-CB 3.68Å; A999-A1071 HydrophobicContact CB-CB 4.46Å; A999-F1114 WeakPolarHBondContact O-CA 3.47Å; A999-F1114 WeakPolarHBondContact O-CD2 3.38Å; A999-Y1115 PolarHBondContact N-O 3.17Å; A999-Y1115 VanDerWaalsContact N-O 3.1Å; A999-Y1115 PolarHBondContact O-N 3.07Å
1000G97.9Very high94.6Very high12 Ų1248.6 Ų48.612%0.12424%0.238CC..EExtended strand (participates in β ladder)trans-111.7156169.900000113.1H1015 S1016 G1113G1000-H1015 WeakPolarHBondContact O-CA 3.35Å; G1000-S1016 PolarHBondContact N-OG 3.39Å; G1000-S1016 PolarHBondContact O-N 2.91Å; G1000-S1016 PolarHBondContact O-OG 3.29Å; G1000-G1113 CarbonylContact C-O 3.6Å; G1000-G1113 VanDerWaalsContact CA-O 3.31Å; G1000-G1113 WeakPolarHBondContact CA-O 3.3Å
1001A98.5Very high94.9Very high3 Ų348.8 Ų48.83%0.02524%0.239CC..EExtended strand (participates in β ladder)trans-139.4149.417000000110.7S1014 H1015 A1071 T1112 G1113A1001-S1014 CarbonylContact C-O 3.1Å; A1001-S1014 VanDerWaalsContact CA-O 3.31Å; A1001-S1014 WeakPolarHBondContact CA-O 3.41Å; A1001-H1015 HydrophobicContact CB-CB 4.13Å; A1001-A1071 HydrophobicContact CB-CB 4.03Å; A1001-T1112 CarbonylContact O-C 3.43Å; A1001-T1112 VanDerWaalsContact O-CA 3.24Å; A1001-T1112 WeakPolarHBondContact O-CA 3.36Å; A1001-G1113 PolarHBondContact N-O 2.86Å; A1001-G1113 PolarHBondContact O-N 3.47Å
1002L98.7Very high95.3Very high31 Ų3149.5 Ų49.516%0.16224%0.243CC..EExtended strand (participates in β ladder)trans-123.4122.8174175.664.1000108.8S1014 V1053 T1112L1002-S1014 PolarHBondContact N-O 3.46Å; L1002-S1014 PolarHBondContact O-N 2.92Å; L1002-V1053 HydrophobicContact CB-CG2 4.47Å; L1002-T1112 HydrophobicContact CD1-CG2 3.96Å
1003V98.7Very high96Very high0 Ų048 Ų480%023%0.228CC..EExtended strand (participates in β ladder)trans-121.2124.9179-175.80000109.4V1011 L1012 L1013 A1075 L1079 S1110 A1111V1003-V1011 HydrophobicContact CG1-CG1 3.67Å; V1003-L1012 WeakPolarHBondContact CA-O 3.3Å; V1003-L1013 HydrophobicContact CG2-CD1 3.68Å; V1003-A1075 HydrophobicContact CB-CB 4.2Å; V1003-A1075 HydrophobicContact CG2-CB 3.59Å; V1003-L1079 HydrophobicContact CB-CD1 3.8Å; V1003-L1079 HydrophobicContact CG1-CD1 3.5Å; V1003-L1079 VanDerWaalsContact CG1-CD1 3.5Å; V1003-S1110 WeakPolarHBondContact O-CA 3.27Å; V1003-A1111 PolarHBondContact N-O 2.92Å; V1003-A1111 PolarHBondContact O-N 2.94Å
1004N98.6Very high96.6Very high34 Ų3444.3 Ų44.318%0.18221%0.209CC..EExtended strand (participates in β ladder)trans-118.8131.3176.2-59.3-44.6000109.5V1011 L1012 S1110N1004-V1011 CarbonylContact O-C 3.07Å; N1004-V1011 WeakPolarHBondContact O-CA 3.24Å; N1004-L1012 HydrophobicContact CB-CB 4.43Å; N1004-L1012 PolarHBondContact N-O 2.95Å; N1004-L1012 PolarHBondContact O-N 2.95Å; N1004-S1110 VanDerWaalsContact OD1-CB 3.25Å; N1004-S1110 WeakPolarHBondContact OD1-CB 3.42Å; N1004-S1110 PolarHBondContact OD1-OG 3.07Å
1005I98.6Very high97.2Very high8 Ų838.4 Ų38.44%0.04118%0.184CC..EExtended strand (participates in β ladder)trans-107.3118.8171.3-52.7169.9000108S1010 V1011 L1079 L1083 W1095 I1099 L1109I1005-S1010 WeakPolarHBondContact CA-O 3.45Å; I1005-V1011 HydrophobicContact CG1-CG2 4.14Å; I1005-V1011 HydrophobicContact CG2-CG2 4.45Å; I1005-L1079 HydrophobicContact CD1-CB 4.19Å; I1005-L1079 HydrophobicContact CD1-CD1 3.9Å; I1005-L1079 HydrophobicContact CD1-CD2 4.36Å; I1005-L1079 HydrophobicContact CD1-CG 4.37Å; I1005-L1079 HydrophobicContact CG1-CD1 4.1Å; I1005-L1083 HydrophobicContact CD1-CD1 4.1Å; I1005-W1095 HydrophobicContact CD1-CH2 3.77Å; I1005-W1095 HydrophobicContact CD1-CZ2 3.81Å; I1005-W1095 HydrophobicContact CG1-CZ2 4.34Å; I1005-W1095 HydrophobicContact CG2-CZ2 3.87Å; I1005-I1099 HydrophobicContact CD1-CD1 4.33Å; I1005-I1099 HydrophobicContact CG2-CD1 3.72Å; I1005-I1099 HydrophobicContact CG2-CG1 3.76Å; I1005-I1099 HydrophobicContact CG2-CG2 3.91Å; I1005-L1109 HydrophobicContact CB-CB 4.24Å; I1005-L1109 HydrophobicContact CB-CD2 4.44Å; I1005-L1109 PolarHBondContact N-O 2.96Å; I1005-L1109 WeakPolarHBondContact O-CB 3.35Å
1006Y98.2Very high97.5Very high113 Ų11331.2 Ų31.244%0.44315%0.153SC..  trans-83.9164.5178.4-66.1-73000111.8D1008 G1009 S1010 L1012 I1099Y1006-D1008 VanDerWaalsContact CB-OD1 3.31Å; Y1006-D1008 WeakPolarHBondContact CB-OD1 3.38Å; Y1006-D1008 PolarHBondContact O-N 3.28Å; Y1006-D1008 VanDerWaalsContact O-N 3.14Å; Y1006-G1009 WeakPolarHBondContact O-CA 3.27Å; Y1006-G1009 PolarHBondContact O-N 3.17Å; Y1006-S1010 PolarHBondContact N-O 3.43Å; Y1006-L1012 HydrophobicContact CE2-CB 3.68Å; Y1006-L1012 HydrophobicContact CE2-CD2 4.24Å; Y1006-L1012 VanDerWaalsContact OH-CD2 3.28Å; Y1006-L1012 WeakPolarHBondContact OH-CD2 3.37Å; Y1006-I1099 VanDerWaalsContact O-CG2 3.27Å; Y1006-I1099 WeakPolarHBondContact O-CG2 3.35Å
1007R97.1Very high97.7Very high152 Ų15229.3 Ų29.357%0.57414%0.144SC*.THydrogen-bonded Turntrans-61.7-23.4-173.9-66.6-175.7-66.6177-0.8114.2L1100 Y1103R1007-L1100 HydrophobicContact CB-CD2 4.24Å; R1007-L1100 WeakPolarHBondContact O-CD2 3.5Å; R1007-Y1103 HydrophobicContact CG-CD2 4.27Å; R1007-Y1103 HydrophobicContact CG-CG 4.31Å
1008D96.9Very high97.8Very high105 Ų10529.1 Ų29.156%0.56114%0.142SC*.THydrogen-bonded Turntrans-82.51.4174.568.5-20.8000113Y1006 S1010 E1096Y1006-D1008 VanDerWaalsContact CB-OD1 3.31Å; Y1006-D1008 WeakPolarHBondContact CB-OD1 3.38Å; Y1006-D1008 PolarHBondContact O-N 3.28Å; Y1006-D1008 VanDerWaalsContact O-N 3.14Å; D1008-S1010 VanDerWaalsContact C-N 3.3Å; D1008-S1010 WeakPolarHBondContact OD1-CB 3.36Å; D1008-S1010 PolarHBondContact OD1-N 3.27Å; D1008-S1010 PolarHBondContact OD1-OG 3.27Å; D1008-S1010 PolarHBondContact OD2-OG 3.14Å; D1008-E1096 WeakPolarHBondContact O-CG 3.48Å
1009G96.5Very high97.9Very high1 Ų126.4 Ų26.41%0.0113%0.13CC..SBendtrans83.6-2.3-176.400000114.4Y1006 W1095Y1006-G1009 WeakPolarHBondContact O-CA 3.27Å; Y1006-G1009 PolarHBondContact O-N 3.17Å; G1009-W1095 PolarHBondContact O-NE1 3.17Å
1010S98.3Very high97.8Very high39 Ų3927.4 Ų27.427%0.27313%0.134SC..  trans-68.9146.4174.867.10000111.3I1005 Y1006 D1008I1005-S1010 WeakPolarHBondContact CA-O 3.45Å; Y1006-S1010 PolarHBondContact N-O 3.43Å; D1008-S1010 VanDerWaalsContact C-N 3.3Å; D1008-S1010 WeakPolarHBondContact OD1-CB 3.36Å; D1008-S1010 PolarHBondContact OD1-N 3.27Å; D1008-S1010 PolarHBondContact OD1-OG 3.27Å; D1008-S1010 PolarHBondContact OD2-OG 3.14Å
1011V98.7Very high97.7Very high3 Ų327 Ų272%0.01813%0.13CC..EExtended strand (participates in β ladder)trans-117.6124.5-176.2-175.70000109.9V1003 N1004 I1005 L1036 I1038 K1042 I1043 F1044 W1095V1003-V1011 HydrophobicContact CG1-CG1 3.67Å; N1004-V1011 CarbonylContact O-C 3.07Å; N1004-V1011 WeakPolarHBondContact O-CA 3.24Å; I1005-V1011 HydrophobicContact CG1-CG2 4.14Å; I1005-V1011 HydrophobicContact CG2-CG2 4.45Å; V1011-L1036 HydrophobicContact CG1-CD1 4.2Å; V1011-L1036 HydrophobicContact CG2-CD1 4.15Å; V1011-I1038 HydrophobicContact CG2-CD1 3.63Å; V1011-K1042 PolarHBondContact N-O 2.95Å; V1011-I1043 HydrophobicContact CB-CG1 4.05Å; V1011-I1043 HydrophobicContact CG1-CG1 4.49Å; V1011-I1043 HydrophobicContact CG2-CG1 4.48Å; V1011-I1043 WeakPolarHBondContact O-CA 3.44Å; V1011-F1044 PolarHBondContact O-N 2.98Å; V1011-W1095 HydrophobicContact CG2-CZ2 4.28Å
1012L98.6Very high97.5Very high31 Ų3128.1 Ų28.116%0.16213%0.134CC..EExtended strand (participates in β ladder)trans-103.9122.6171.7-174.369.4000110V1003 N1004 Y1006 F1044 K1046V1003-L1012 WeakPolarHBondContact CA-O 3.3Å; N1004-L1012 HydrophobicContact CB-CB 4.43Å; N1004-L1012 PolarHBondContact N-O 2.95Å; N1004-L1012 PolarHBondContact O-N 2.95Å; Y1006-L1012 HydrophobicContact CE2-CB 3.68Å; Y1006-L1012 HydrophobicContact CE2-CD2 4.24Å; Y1006-L1012 VanDerWaalsContact OH-CD2 3.28Å; Y1006-L1012 WeakPolarHBondContact OH-CD2 3.37Å; L1012-F1044 WeakPolarHBondContact CA-O 3.24Å; L1012-F1044 HydrophobicContact CD1-CB 4.48Å; L1012-F1044 HydrophobicContact CD1-CD1 3.69Å; L1012-K1046 HydrophobicContact CD1-CB 3.83Å; L1012-K1046 HydrophobicContact CD1-CD 4.48Å; L1012-K1046 HydrophobicContact CD1-CG 4.43Å; L1012-K1046 HydrophobicContact CG-CB 4.41Å
1013L98.4Very high97.4Very high0 Ų026.6 Ų26.60%013%0.127CC..EExtended strand (participates in β ladder)trans-113.1128.717917260.6000110.4V1003 M1028 A1032 I1043 F1044 V1045 K1046 T1072V1003-L1013 HydrophobicContact CG2-CD1 3.68Å; L1013-M1028 HydrophobicContact CD2-CB 3.82Å; L1013-A1032 HydrophobicContact CD2-CB 4.23Å; L1013-I1043 HydrophobicContact CB-CG2 4.5Å; L1013-F1044 PolarHBondContact N-O 2.73Å; L1013-V1045 HydrophobicContact CB-CG2 4.45Å; L1013-V1045 HydrophobicContact CD2-CG2 4.18Å; L1013-V1045 WeakPolarHBondContact O-CA 3.2Å; L1013-K1046 PolarHBondContact O-N 2.7Å; L1013-T1072 HydrophobicContact CD1-CG2 3.87Å; L1013-T1072 HydrophobicContact CD2-CG2 3.84Å
1014S98.1Very high97.3Very high5 Ų526.6 Ų26.64%0.03513%0.127CC..EExtended strand (participates in β ladder)trans-124.7142.2167-71.60000109.2A1001 L1002A1001-S1014 CarbonylContact C-O 3.1Å; A1001-S1014 VanDerWaalsContact CA-O 3.31Å; A1001-S1014 WeakPolarHBondContact CA-O 3.41Å; L1002-S1014 PolarHBondContact N-O 3.46Å; L1002-S1014 PolarHBondContact O-N 2.92Å
1015H98Very high97.2Very high2 Ų225.3 Ų25.31%0.00912%0.12CC..EExtended strand (participates in β ladder)trans-146.1172.2178.562.683.6000111.2G1000 A1001 G1017 N1025 N1068G1000-H1015 WeakPolarHBondContact O-CA 3.35Å; A1001-H1015 HydrophobicContact CB-CB 4.13Å; H1015-G1017 PolarHBondContact CE1-O 2.79Å; H1015-G1017 VanDerWaalsContact CE1-O 3.22Å; H1015-G1017 PolarHBondContact ND1-N 3.23Å; H1015-G1017 VanDerWaalsContact ND1-N 3.17Å; H1015-G1017 PolarHBondContact ND1-O 3.04Å; H1015-G1017 PolarHBondContact O-N 2.85Å; H1015-N1025 PolarHBondContact CE1-OD1 3.48Å; H1015-N1025 PolarHBondContact NE2-OD1 2.87Å; H1015-N1025 VanDerWaalsContact NE2-OD1 3.09Å; H1015-N1068 HydrophobicContact CB-CB 4.32Å; H1015-N1068 PolarHBondContact ND1-OD1 3.23Å
1016S96.7Very high97Very high5 Ų525 Ų254%0.03512%0.118CC..SBendtrans-73.5-8.1-172.6-550000115.4G1000 V1053 N1068G1000-S1016 PolarHBondContact N-OG 3.39Å; G1000-S1016 PolarHBondContact O-N 2.91Å; G1000-S1016 PolarHBondContact O-OG 3.29Å; S1016-V1053 VanDerWaalsContact OG-CG1 3.28Å; S1016-V1053 WeakPolarHBondContact OG-CG1 3.21Å; S1016-N1068 WeakPolarHBondContact CA-OD1 3.08Å; S1016-N1068 WeakPolarHBondContact CB-OD1 3.22Å; S1016-N1068 PolarHBondContact N-OD1 2.92Å
1017G96.7Very high96.9Very high1 Ų120.1 Ų20.11%0.0110%0.099CC..  trans-101.3151.9-169.600000111.7H1015 T1048 N1068H1015-G1017 PolarHBondContact CE1-O 2.79Å; H1015-G1017 VanDerWaalsContact CE1-O 3.22Å; H1015-G1017 PolarHBondContact ND1-N 3.23Å; H1015-G1017 VanDerWaalsContact ND1-N 3.17Å; H1015-G1017 PolarHBondContact ND1-O 3.04Å; H1015-G1017 PolarHBondContact O-N 2.85Å; G1017-T1048 PolarHBondContact O-OG1 3.31Å; G1017-N1068 PolarHBondContact N-OD1 2.94Å; G1017-N1068 VanDerWaalsContact N-OD1 3.08Å
1018V97.8Very high96.9Very high1 Ų112.9 Ų12.91%0.0067%0.072CC..  trans-105.9135.5-178.3175.20000110.3P734 V756 I759 Q1022 T1048 C1059P734-V1018 HydrophobicContact CG-CG2 4.04Å; V756-V1018 HydrophobicContact CB-CG1 4.38Å; V756-V1018 HydrophobicContact CB-CG2 4.41Å; V756-V1018 HydrophobicContact CG1-CG1 3.61Å; V756-V1018 HydrophobicContact CG1-CG2 4.46Å; I759-V1018 HydrophobicContact CD1-CG1 3.96Å; I759-V1018 HydrophobicContact CG1-CG1 4.33Å; I759-V1018 HydrophobicContact CG2-CG1 4.34Å; V1018-Q1022 PolarHBondContact O-NE2 3.25Å; V1018-T1048 HydrophobicContact CG2-CG2 4.06Å; V1018-C1059 HydrophobicContact CB-CB 4.16Å; V1018-C1059 PolarHBondContact O-SG 2.94Å
1019E97.4Very high96.9Very high4 Ų48 Ų82%0.0195%0.046CC..  trans-78.3118.2172.7-177.858.3-104.900110.8H524 R758 I759 G1021 Q1022 G1023 L1024 N1025H524-E1019 IonicContact NE2-OE1 2.61Å; H524-E1019 PolarHBondContact NE2-OE1 3.02Å; H524-E1019 IonicContact NE2-OE2 2.77Å; R758-E1019 CarbonylContact C-O 3.52Å; R758-E1019 VanDerWaalsContact CA-O 3.31Å; R758-E1019 WeakPolarHBondContact CA-O 3.35Å; I759-E1019 PolarHBondContact N-O 2.96Å; E1019-G1021 WeakPolarHBondContact OE1-CA 3.4Å; E1019-G1021 PolarHBondContact OE1-N 3.19Å; E1019-Q1022 PolarHBondContact OE1-N 3.35Å; E1019-Q1022 PolarHBondContact OE1-OE1 2.95Å; E1019-Q1022 VanDerWaalsContact OE1-OE1 3.08Å; E1019-G1023 PolarHBondContact OE1-N 2.67Å; E1019-G1023 WeakPolarHBondContact OE2-CA 3.39Å; E1019-L1024 PolarHBondContact OE2-N 3.25Å; E1019-N1025 WeakPolarHBondContact CB-ND2 3.36Å; E1019-N1025 PolarHBondContact OE2-N 2.79Å
1020M96.5Very high96.9Very high26 Ų269.1 Ų9.113%0.1285%0.051CC..SBendtrans-127.415.1-18066.1-171.875.700113C74 Q732 I759 A762 C1059C74-M1020 WeakPolarHBondContact CB-O 3.29Å; Q732-M1020 HydrophobicContact CB-CE 4.25Å; Q732-M1020 HydrophobicContact CG-CE 3.62Å; Q732-M1020 HydrophobicContact CG-SD 4.2Å; I759-M1020 HydrophobicContact CD1-CB 3.52Å; I759-M1020 HydrophobicContact CD1-CE 4.27Å; I759-M1020 HydrophobicContact CG1-CB 3.22Å; I759-M1020 WeakPolarHBondContact O-CA 3.45Å; A762-M1020 HydrophobicContact CB-CB 4.38Å; A762-M1020 HydrophobicContact CB-SD 4.01Å; M1020-C1059 HydrophobicContact CE-CB 3.76Å; M1020-C1059 VanDerWaalsContact CE-SG 3.54Å
1021G94.9Very high96.8Very high3 Ų37.4 Ų7.43%0.0314%0.039CC..SBendtrans107.4-10.8-18000000114.7Q73 C74 E1019 G1023Q73-G1021 WeakPolarHBondContact CA-O 3.44Å; Q73-G1021 WeakPolarHBondContact CB-O 3.28Å; Q73-G1021 WeakPolarHBondContact CG-O 3.45Å; Q73-G1021 WeakPolarHBondContact O-CA 3.46Å; C74-G1021 VanDerWaalsContact CA-CA 3.44Å; C74-G1021 VanDerWaalsContact N-CA 3.26Å; E1019-G1021 WeakPolarHBondContact OE1-CA 3.4Å; E1019-G1021 PolarHBondContact OE1-N 3.19Å; G1021-G1023 PolarHBondContact O-N 3.07Å
1022Q95Very high96.7Very high26 Ų267.2 Ų7.212%0.1214%0.038CC..SBendtrans-73.6-0.3176.982.6-71.421.300113.5V1018 E1019 L1024 I1173V1018-Q1022 PolarHBondContact O-NE2 3.25Å; E1019-Q1022 PolarHBondContact OE1-N 3.35Å; E1019-Q1022 PolarHBondContact OE1-OE1 2.95Å; E1019-Q1022 VanDerWaalsContact OE1-OE1 3.08Å; Q1022-L1024 VanDerWaalsContact C-N 3.33Å; Q1022-L1024 HydrophobicContact CG-CB 4.15Å; Q1022-L1024 PolarHBondContact O-N 3.32Å; Q1022-I1173 WeakPolarHBondContact O-CG2 3.47Å
1023G95Very high96.6Very high0 Ų07 Ų70%04%0.038CC..  trans66.835176.600000113H524 E1019 G1021 T1026 K1027H524-G1023 VanDerWaalsContact CD2-CA 3.43Å; H524-G1023 WeakPolarHBondContact CD2-CA 3.27Å; E1019-G1023 PolarHBondContact OE1-N 2.67Å; E1019-G1023 WeakPolarHBondContact OE2-CA 3.39Å; G1021-G1023 PolarHBondContact O-N 3.07Å; G1023-T1026 WeakPolarHBondContact O-CB 3.18Å; G1023-T1026 PolarHBondContact O-N 3.39Å; G1023-K1027 WeakPolarHBondContact O-CG 3.27Å; G1023-K1027 PolarHBondContact O-N 3.3Å
1024L96.6Very high96.5Very high0 Ų011.6 Ų11.60%06%0.059CC..Hα-helixtrans-62.1-47.1178179.961.2000110.7E1019 Q1022 T1026 K1027 M1028E1019-L1024 PolarHBondContact OE2-N 3.25Å; Q1022-L1024 VanDerWaalsContact C-N 3.33Å; Q1022-L1024 HydrophobicContact CG-CB 4.15Å; Q1022-L1024 PolarHBondContact O-N 3.32Å; L1024-T1026 PolarHBondContact O-N 3.21Å; L1024-K1027 PolarHBondContact O-N 3Å; L1024-K1027 VanDerWaalsContact O-N 3.14Å; L1024-M1028 HydrophobicContact CD1-CE 4Å; L1024-M1028 HydrophobicContact CD1-CG 4.18Å; L1024-M1028 HydrophobicContact CD1-SD 4.32Å; L1024-M1028 HydrophobicContact CG-CG 4.33Å; L1024-M1028 VanDerWaalsContact O-CG 3.29Å; L1024-M1028 WeakPolarHBondContact O-CG 3.5Å; L1024-M1028 PolarHBondContact O-N 3.09Å
1025N96.8Very high96.4Very high7 Ų712.6 Ų12.64%0.0376%0.064CC..Hα-helixtrans-62.1-37.9-179.6-71.3-4.3000111.1H1015 E1019 M1028 A1029 V1045H1015-N1025 PolarHBondContact CE1-OD1 3.48Å; H1015-N1025 PolarHBondContact NE2-OD1 2.87Å; H1015-N1025 VanDerWaalsContact NE2-OD1 3.09Å; E1019-N1025 WeakPolarHBondContact CB-ND2 3.36Å; E1019-N1025 PolarHBondContact OE2-N 2.79Å; N1025-M1028 PolarHBondContact O-N 3.06Å; N1025-A1029 WeakPolarHBondContact O-CB 3.42Å; N1025-A1029 PolarHBondContact O-N 2.98Å; N1025-V1045 HydrophobicContact CB-CB 4.19Å; N1025-V1045 HydrophobicContact CB-CG1 3.99Å; N1025-V1045 HydrophobicContact CB-CG2 4.43Å
1026T95.7Very high96.3Very high0 Ų012.7 Ų12.70%07%0.065CC..Hα-helixtrans-60.4-49.9174.6-51.10000110.8H522 T525 G1023 L1024 M1028 A1029 Q1030 M1040 I1173H522-T1026 HydrophobicContact CB-CG2 4.45Å; T525-T1026 HydrophobicContact CG2-CG2 4.11Å; T525-T1026 PolarHBondContact N-OG1 3.02Å; T525-T1026 PolarHBondContact OG1-OG1 3.24Å; T525-T1026 VanDerWaalsContact OG1-OG1 3.13Å; G1023-T1026 WeakPolarHBondContact O-CB 3.18Å; G1023-T1026 PolarHBondContact O-N 3.39Å; L1024-T1026 PolarHBondContact O-N 3.21Å; T1026-M1028 VanDerWaalsContact C-N 3.35Å; T1026-M1028 PolarHBondContact O-N 3.35Å; T1026-A1029 PolarHBondContact O-N 3Å; T1026-Q1030 WeakPolarHBondContact O-CG 3.42Å; T1026-Q1030 PolarHBondContact O-N 2.67Å; T1026-M1040 HydrophobicContact CG2-CE 4.03Å; T1026-M1040 WeakPolarHBondContact O-CE 3.23Å; T1026-I1173 HydrophobicContact CG2-CD1 3.89Å
1027K96.1Very high96.2Very high12 Ų1219.5 Ų19.55%0.05210%0.101CC..Hα-helixtrans-61.5-40.6177-73.1173.1172.6178.60112.2G1023 L1024 Q1030 V1031 L1169 D1174G1023-K1027 WeakPolarHBondContact O-CG 3.27Å; G1023-K1027 PolarHBondContact O-N 3.3Å; L1024-K1027 PolarHBondContact O-N 3Å; L1024-K1027 VanDerWaalsContact O-N 3.14Å; K1027-Q1030 PolarHBondContact O-N 3.07Å; K1027-V1031 WeakPolarHBondContact O-CG2 3.49Å; K1027-V1031 PolarHBondContact O-N 3.24Å; K1027-L1169 HydrophobicContact CB-CD1 4.2Å; K1027-L1169 HydrophobicContact CD-CD1 4.24Å; K1027-L1169 HydrophobicContact CG-CB 4.3Å; K1027-L1169 HydrophobicContact CG-CD1 4.27Å; K1027-D1174 WeakPolarHBondContact CE-OD1 3.5Å; K1027-D1174 IonicContact NZ-OD1 3.55Å; K1027-D1174 PolarHBondContact NZ-OD1 2.77Å
1028M97.3Very high96.1Very high0 Ų020.3 Ų20.30%011%0.105CC..Hα-helixtrans-66.5-40.2178.9-63.7-5388.800112L1013 L1024 N1025 T1026 V1031 A1032 S1065 N1068 G1069L1013-M1028 HydrophobicContact CD2-CB 3.82Å; L1024-M1028 HydrophobicContact CD1-CE 4Å; L1024-M1028 HydrophobicContact CD1-CG 4.18Å; L1024-M1028 HydrophobicContact CD1-SD 4.32Å; L1024-M1028 HydrophobicContact CG-CG 4.33Å; L1024-M1028 VanDerWaalsContact O-CG 3.29Å; L1024-M1028 WeakPolarHBondContact O-CG 3.5Å; L1024-M1028 PolarHBondContact O-N 3.09Å; N1025-M1028 PolarHBondContact O-N 3.06Å; T1026-M1028 VanDerWaalsContact C-N 3.35Å; T1026-M1028 PolarHBondContact O-N 3.35Å; M1028-V1031 HydrophobicContact CE-CG2 4.43Å; M1028-V1031 PolarHBondContact O-N 3.12Å; M1028-A1032 PolarHBondContact O-N 3.02Å; M1028-S1065 WeakPolarHBondContact CE-O 3.49Å; M1028-N1068 HydrophobicContact CG-CB 4.42Å; M1028-N1068 HydrophobicContact SD-CB 3.49Å; M1028-N1068 WeakPolarHBondContact SD-CB 3.42Å; M1028-N1068 VanDerWaalsContact SD-O 3.41Å; M1028-G1069 VanDerWaalsContact SD-CA 3.51Å; M1028-G1069 PolarHBondContact SD-N 3.46Å
1029A96.5Very high95.9Very high2 Ų223.1 Ų23.12%0.01712%0.124CC..Hα-helixtrans-64.9-38.9172.700000112.3N1025 T1026 A1032 S1033 M1040 I1043 V1045N1025-A1029 WeakPolarHBondContact O-CB 3.42Å; N1025-A1029 PolarHBondContact O-N 2.98Å; T1026-A1029 PolarHBondContact O-N 3Å; A1029-A1032 PolarHBondContact O-N 2.95Å; A1029-S1033 WeakPolarHBondContact O-CB 3.29Å; A1029-S1033 PolarHBondContact O-N 2.89Å; A1029-M1040 HydrophobicContact CB-CE 3.45Å; A1029-M1040 VanDerWaalsContact CB-CE 3.45Å; A1029-M1040 HydrophobicContact CB-CG 4.18Å; A1029-I1043 HydrophobicContact CB-CG2 4.07Å; A1029-V1045 HydrophobicContact CB-CG2 3.94Å
1030Q95.6Very high95.6Very high25 Ų2524.1 Ų24.112%0.11713%0.13CC..Hα-helixtrans-62.4-41.8172.3-71.3176.9-87.100111.9T1026 K1027 S1033 K1034 M1040 L1169 N1170T1026-Q1030 WeakPolarHBondContact O-CG 3.42Å; T1026-Q1030 PolarHBondContact O-N 2.67Å; K1027-Q1030 PolarHBondContact O-N 3.07Å; Q1030-S1033 PolarHBondContact O-N 3.32Å; Q1030-K1034 WeakPolarHBondContact O-CB 3.45Å; Q1030-K1034 PolarHBondContact O-N 3.38Å; Q1030-M1040 HydrophobicContact CG-CE 4.13Å; Q1030-M1040 HydrophobicContact CG-SD 4.28Å; Q1030-L1169 PolarHBondContact NE2-O 2.83Å; Q1030-N1170 PolarHBondContact OE1-ND2 2.81Å
1031V96.5Very high95.4Very high2 Ų230.3 Ų30.31%0.01216%0.163CC..Hα-helixtrans-62.1-49.4175.91700000110.7K1027 M1028 S1033 K1034 V1035 G1069 T1072 K1073 V1236 F1237K1027-V1031 WeakPolarHBondContact O-CG2 3.49Å; K1027-V1031 PolarHBondContact O-N 3.24Å; M1028-V1031 HydrophobicContact CE-CG2 4.43Å; M1028-V1031 PolarHBondContact O-N 3.12Å; V1031-S1033 PolarHBondContact O-N 3.33Å; V1031-K1034 PolarHBondContact O-N 3.21Å; V1031-V1035 HydrophobicContact CG1-CG2 4.44Å; V1031-V1035 VanDerWaalsContact O-CG2 3.26Å; V1031-V1035 WeakPolarHBondContact O-CG2 3.44Å; V1031-V1035 PolarHBondContact O-N 3.44Å; V1031-G1069 WeakPolarHBondContact CG1-O 3.5Å; V1031-T1072 HydrophobicContact CG1-CG2 4.21Å; V1031-K1073 HydrophobicContact CG1-CB 4.05Å; V1031-V1236 HydrophobicContact CG1-CG2 4.48Å; V1031-V1236 HydrophobicContact CG2-CG2 4.11Å; V1031-F1237 HydrophobicContact CB-CE2 4.27Å; V1031-F1237 HydrophobicContact CG1-CE2 4.03Å; V1031-F1237 HydrophobicContact CG2-CD2 4.28Å; V1031-F1237 HydrophobicContact CG2-CE2 3.99Å
1032A97.3Very high95.5Very high0 Ų033.4 Ų33.40%018%0.176CC..Hα-helixtrans-61.9-43.1178.400000112.2L1013 M1028 A1029 V1035 L1036 I1043 T1072L1013-A1032 HydrophobicContact CD2-CB 4.23Å; M1028-A1032 PolarHBondContact O-N 3.02Å; A1029-A1032 PolarHBondContact O-N 2.95Å; A1032-V1035 PolarHBondContact O-N 2.91Å; A1032-L1036 VanDerWaalsContact O-CB 3.31Å; A1032-L1036 WeakPolarHBondContact O-CB 3.07Å; A1032-L1036 WeakPolarHBondContact O-CG 3.45Å; A1032-L1036 PolarHBondContact O-N 3.06Å; A1032-I1043 HydrophobicContact CB-CD1 3.89Å; A1032-I1043 HydrophobicContact CB-CG2 4.44Å; A1032-T1072 HydrophobicContact CB-CG2 3.97Å
1033S96.2Very high95.6Very high25 Ų2532.9 Ų32.918%0.17517%0.174CC..Hα-helixtrans-56-52.2175.91680000111.4A1029 Q1030 V1031 V1035 N1037 I1038 I1043A1029-S1033 WeakPolarHBondContact O-CB 3.29Å; A1029-S1033 PolarHBondContact O-N 2.89Å; Q1030-S1033 PolarHBondContact O-N 3.32Å; V1031-S1033 PolarHBondContact O-N 3.33Å; S1033-V1035 PolarHBondContact O-N 3.18Å; S1033-N1037 WeakPolarHBondContact O-CA 3.12Å; S1033-N1037 PolarHBondContact O-N 3.02Å; S1033-I1038 PolarHBondContact O-N 3.28Å; S1033-I1038 PolarHBondContact OG-O 3.27Å; S1033-I1043 VanDerWaalsContact CA-CD1 3.43Å
1034K95.2Very high95.7Very high98 Ų9838.6 Ų38.643%0.42620%0.199SC..Hα-helixtrans-63.1-41.4-179.9-179.2167.2-177.5170.30112.8L518 Q1030 V1031 F1237L518-K1034 HydrophobicContact CD2-CD 3.78Å; L518-K1034 VanDerWaalsContact CD2-NZ 3.3Å; Q1030-K1034 WeakPolarHBondContact O-CB 3.45Å; Q1030-K1034 PolarHBondContact O-N 3.38Å; V1031-K1034 PolarHBondContact O-N 3.21Å; K1034-F1237 HydrophobicContact CB-CE2 4.45Å; K1034-F1237 HydrophobicContact CB-CZ 4.48Å; K1034-F1237 HydrophobicContact CD-CD2 4.26Å; K1034-F1237 HydrophobicContact CD-CE1 4.26Å; K1034-F1237 HydrophobicContact CD-CE2 3.93Å; K1034-F1237 HydrophobicContact CD-CZ 3.92Å; K1034-F1237 HydrophobicContact CG-CE2 4.41Å; K1034-F1237 HydrophobicContact CG-CZ 4.14Å
1035V97Very high95.7Very high25 Ų2539.2 Ų39.215%0.15220%0.202CC..Hα-helixtrans-70.8-51.3-178.8177.50000110.3V1031 A1032 S1033 N1037 K1073 C1076 E1077 L1080 F1237V1031-V1035 HydrophobicContact CG1-CG2 4.44Å; V1031-V1035 VanDerWaalsContact O-CG2 3.26Å; V1031-V1035 WeakPolarHBondContact O-CG2 3.44Å; V1031-V1035 PolarHBondContact O-N 3.44Å; A1032-V1035 PolarHBondContact O-N 2.91Å; S1033-V1035 PolarHBondContact O-N 3.18Å; V1035-N1037 PolarHBondContact O-N 3.35Å; V1035-K1073 HydrophobicContact CG2-CB 4.25Å; V1035-K1073 HydrophobicContact CG2-CG 3.91Å; V1035-C1076 HydrophobicContact CB-CB 3.87Å; V1035-C1076 HydrophobicContact CG1-CB 3.45Å; V1035-C1076 VanDerWaalsContact CG1-CB 3.45Å; V1035-E1077 HydrophobicContact CG1-CG 3.87Å; V1035-L1080 HydrophobicContact CG1-CD1 3.74Å; V1035-L1080 WeakPolarHBondContact O-CD1 3.31Å; V1035-F1237 HydrophobicContact CG2-CZ 3.83Å
1036L96.3Very high95.7Very high5 Ų543.7 Ų43.73%0.02622%0.221CC..Hα-helixtrans-72.6-14.8-178.1-64.2178.9000113.7V1011 A1032 I1038 C1076 L1080 W1095V1011-L1036 HydrophobicContact CG1-CD1 4.2Å; V1011-L1036 HydrophobicContact CG2-CD1 4.15Å; A1032-L1036 VanDerWaalsContact O-CB 3.31Å; A1032-L1036 WeakPolarHBondContact O-CB 3.07Å; A1032-L1036 WeakPolarHBondContact O-CG 3.45Å; A1032-L1036 PolarHBondContact O-N 3.06Å; L1036-I1038 HydrophobicContact CB-CD1 4.11Å; L1036-I1038 HydrophobicContact CB-CG1 3.99Å; L1036-I1038 HydrophobicContact CB-CG2 4.48Å; L1036-I1038 HydrophobicContact CD1-CD1 3.99Å; L1036-C1076 HydrophobicContact CD2-CB 3.8Å; L1036-C1076 HydrophobicContact CG-CB 3.98Å; L1036-L1080 HydrophobicContact CD2-CD1 4.21Å; L1036-L1080 HydrophobicContact CD2-CD2 4.33Å; L1036-L1080 HydrophobicContact CD2-CG 3.9Å; L1036-W1095 HydrophobicContact CD2-CH2 4.44Å
1037N94.3Very high95.6Very high148 Ų14846.5 Ų46.579%0.79124%0.235SC*.THydrogen-bonded Turntrans57.650.9-175.8-165.442.3000112.7S1033 V1035S1033-N1037 WeakPolarHBondContact O-CA 3.12Å; S1033-N1037 PolarHBondContact O-N 3.02Å; V1035-N1037 PolarHBondContact O-N 3.35Å
1038I95.1Very high95.7Very high17 Ų1746.1 Ų46.19%0.08723%0.233CC..SBendtrans-132160.4178.963.9178.5000110.7V1011 S1033 L1036 K1042 I1043 W1095V1011-I1038 HydrophobicContact CG2-CD1 3.63Å; S1033-I1038 PolarHBondContact O-N 3.28Å; S1033-I1038 PolarHBondContact OG-O 3.27Å; L1036-I1038 HydrophobicContact CB-CD1 4.11Å; L1036-I1038 HydrophobicContact CB-CG1 3.99Å; L1036-I1038 HydrophobicContact CB-CG2 4.48Å; L1036-I1038 HydrophobicContact CD1-CD1 3.99Å; I1038-K1042 HydrophobicContact CD1-CB 4.22Å; I1038-I1043 HydrophobicContact CD1-CD1 4.11Å; I1038-I1043 HydrophobicContact CD1-CG1 3.94Å; I1038-I1043 HydrophobicContact CG1-CD1 4.09Å; I1038-I1043 HydrophobicContact CG1-CG1 4.38Å; I1038-W1095 HydrophobicContact CD1-CZ2 4.3Å; I1038-W1095 HydrophobicContact CG2-CD2 3.63Å; I1038-W1095 HydrophobicContact CG2-CE3 3.74Å; I1038-W1095 HydrophobicContact CG2-CG 3.99Å; I1038-W1095 HydrophobicContact CG2-CH2 4.49Å; I1038-W1095 HydrophobicContact CG2-CZ2 4.39Å; I1038-W1095 HydrophobicContact CG2-CZ3 4.18Å
1039S93.7Very high95.7Very high60 Ų6046.4 Ų46.442%0.4224%0.235SC..  trans-60.4142.5173.1178.60000111.6D1041 K1042S1039-D1041 PolarHBondContact O-N 3.11Å; S1039-D1041 PolarHBondContact OG-N 3.23Å; S1039-K1042 PolarHBondContact O-N 3.06Å; S1039-K1042 VanDerWaalsContact O-N 3.09Å
1040M91.3Very high95.8Very high26 Ų2646.7 Ų46.713%0.12824%0.237CC..G310 helixtrans-58.9-27.2174.6-164.4-178.2-178.600112.4H522 T525 T1026 A1029 Q1030 K1042 I1043H522-M1040 HydrophobicContact CB-SD 4.5Å; T525-M1040 HydrophobicContact CG2-CE 3.52Å; T1026-M1040 HydrophobicContact CG2-CE 4.03Å; T1026-M1040 WeakPolarHBondContact O-CE 3.23Å; A1029-M1040 HydrophobicContact CB-CE 3.45Å; A1029-M1040 VanDerWaalsContact CB-CE 3.45Å; A1029-M1040 HydrophobicContact CB-CG 4.18Å; Q1030-M1040 HydrophobicContact CG-CE 4.13Å; Q1030-M1040 HydrophobicContact CG-SD 4.28Å; M1040-K1042 PolarHBondContact O-N 2.89Å; M1040-I1043 PolarHBondContact O-N 2.95Å
1041D91.9Very high95.9Very high156 Ų15652.8 Ų52.883%0.83427%0.265SS*.G310 helixtrans-64.7-19.8177.7-63.4-37000113.4S1039 I1043S1039-D1041 PolarHBondContact O-N 3.11Å; S1039-D1041 PolarHBondContact OG-N 3.23Å; D1041-I1043 VanDerWaalsContact C-N 3.29Å
1042K96.3Very high95.9Very high67 Ų6754.9 Ų54.929%0.29128%0.278SS..G310 helixtrans-83.5-5.8174.5-61.4-172.1-175.6-178.10112.8V1011 I1038 S1039 M1040 E1096V1011-K1042 PolarHBondContact N-O 2.95Å; I1038-K1042 HydrophobicContact CD1-CB 4.22Å; S1039-K1042 PolarHBondContact O-N 3.06Å; S1039-K1042 VanDerWaalsContact O-N 3.09Å; M1040-K1042 PolarHBondContact O-N 2.89Å; K1042-E1096 WeakPolarHBondContact CE-OE1 3.18Å; K1042-E1096 IonicContact NZ-OE1 3.87Å; K1042-E1096 PolarHBondContact NZ-OE1 2.58Å; K1042-E1096 IonicContact NZ-OE2 3.88Å
1043I97.2Very high95.9Very high16 Ų1655.3 Ų55.38%0.08228%0.281CS..EExtended strand (participates in β ladder)trans-111.6121.1-174.6-60.4164.4000109.4V1011 L1013 A1029 A1032 S1033 I1038 M1040 D1041V1011-I1043 HydrophobicContact CB-CG1 4.05Å; V1011-I1043 HydrophobicContact CG1-CG1 4.49Å; V1011-I1043 HydrophobicContact CG2-CG1 4.48Å; V1011-I1043 WeakPolarHBondContact O-CA 3.44Å; L1013-I1043 HydrophobicContact CB-CG2 4.5Å; A1029-I1043 HydrophobicContact CB-CG2 4.07Å; A1032-I1043 HydrophobicContact CB-CD1 3.89Å; A1032-I1043 HydrophobicContact CB-CG2 4.44Å; S1033-I1043 VanDerWaalsContact CA-CD1 3.43Å; I1038-I1043 HydrophobicContact CD1-CD1 4.11Å; I1038-I1043 HydrophobicContact CD1-CG1 3.94Å; I1038-I1043 HydrophobicContact CG1-CD1 4.09Å; I1038-I1043 HydrophobicContact CG1-CG1 4.38Å; M1040-I1043 PolarHBondContact O-N 2.95Å; D1041-I1043 VanDerWaalsContact C-N 3.29Å
1044F97.3Very high95.9Very high119 Ų11958 Ų5852%0.52230%0.298SS..EExtended strand (participates in β ladder)trans-113.1128.5173-172.9-100.2000110.6V1011 L1012 L1013 K1046V1011-F1044 PolarHBondContact O-N 2.98Å; L1012-F1044 WeakPolarHBondContact CA-O 3.24Å; L1012-F1044 HydrophobicContact CD1-CB 4.48Å; L1012-F1044 HydrophobicContact CD1-CD1 3.69Å; L1013-F1044 PolarHBondContact N-O 2.73Å; F1044-K1046 HydrophobicContact CE1-CD 4.1Å
1045V97.2Very high96Very high13 Ų1358.5 Ų58.58%0.07931%0.305CS..EExtended strand (participates in β ladder)trans-94.6114.5175.2-169.60000109.5K757 L1013 N1025 A1029K757-V1045 PolarHBondContact NZ-O 2.93Å; K757-V1045 VanDerWaalsContact NZ-O 3.17Å; L1013-V1045 HydrophobicContact CB-CG2 4.45Å; L1013-V1045 HydrophobicContact CD2-CG2 4.18Å; L1013-V1045 WeakPolarHBondContact O-CA 3.2Å; N1025-V1045 HydrophobicContact CB-CB 4.19Å; N1025-V1045 HydrophobicContact CB-CG1 3.99Å; N1025-V1045 HydrophobicContact CB-CG2 4.43Å; A1029-V1045 HydrophobicContact CB-CG2 3.94Å
1046K95Very high95.9Very high101 Ų10157.7 Ų57.744%0.43930%0.3SS..PPolyproline II helixtrans-75.2170.7177.8-160.456.9179.1-176.30110.2L1012 L1013 F1044L1012-K1046 HydrophobicContact CD1-CB 3.83Å; L1012-K1046 HydrophobicContact CD1-CD 4.48Å; L1012-K1046 HydrophobicContact CD1-CG 4.43Å; L1012-K1046 HydrophobicContact CG-CB 4.41Å; L1013-K1046 PolarHBondContact O-N 2.7Å; F1044-K1046 HydrophobicContact CE1-CD 4.1Å
1047Q94.2Very high95.9Very high60 Ų6058 Ų5828%0.2830%0.303SS..PPolyproline II helixtrans-62152.8172.370.1-166.622.900111.5V756 K757V756-Q1047 WeakPolarHBondContact O-CB 3.24Å; K757-Q1047 HydrophobicContact CB-CB 4.07Å; K757-Q1047 HydrophobicContact CD-CB 3.8Å
1048T97.8Very high96Very high4 Ų451.4 Ų51.43%0.02527%0.268CS..EExtended strand (participates in β ladder)trans-70.2128.1169.4-45.80000107.8P734 S755 V756 G1017 V1018 M1056P734-T1048 HydrophobicContact CG-CG2 4.25Å; S755-T1048 WeakPolarHBondContact CA-O 3.2Å; V756-T1048 PolarHBondContact N-O 3.43Å; V756-T1048 PolarHBondContact O-N 2.89Å; G1017-T1048 PolarHBondContact O-OG1 3.31Å; V1018-T1048 HydrophobicContact CG2-CG2 4.06Å; T1048-M1056 HydrophobicContact CG2-CE 4.27Å; T1048-M1056 HydrophobicContact CG2-SD 3.54Å; T1048-M1056 VanDerWaalsContact CG2-SD 3.54Å
1049S98.2Very high96.1Very high5 Ų550.9 Ų50.94%0.03527%0.265CS..EExtended strand (participates in β ladder)trans-147.4136.1179.7174.40000110.6V754 E1051 T1052 V1053V754-S1049 WeakPolarHBondContact O-CA 3.47Å; S1049-E1051 PolarHBondContact O-N 3.25Å; S1049-E1051 WeakPolarHBondContact OG-CB 3.3Å; S1049-E1051 PolarHBondContact OG-N 2.66Å; S1049-T1052 PolarHBondContact O-N 3.04Å; S1049-T1052 PolarHBondContact O-OG1 3.33Å; S1049-V1053 PolarHBondContact O-N 3.39Å; S1049-V1053 VanDerWaalsContact O-N 3.07Å
1050T98.4Very high96.2Very high8 Ų848.9 Ų48.95%0.04925%0.252CS..THydrogen-bonded Turntrans-60.7-20.5174.756.40000113P734 Q738 V754 M1056P734-T1050 HydrophobicContact CB-CG2 4.02Å; Q738-T1050 HydrophobicContact CB-CG2 4.21Å; Q738-T1050 PolarHBondContact NE2-OG1 2.72Å; V754-T1050 HydrophobicContact CB-CG2 4.09Å; V754-T1050 PolarHBondContact N-OG1 2.88Å; V754-T1050 PolarHBondContact O-N 2.95Å; V754-T1050 VanDerWaalsContact O-N 3.1Å; T1050-M1056 HydrophobicContact CG2-CE 3.61Å
1051E96.9Very high96.3Very high153 Ų15348 Ų4872%0.71525%0.249SC*.THydrogen-bonded Turntrans-70.6-35.3174.1-170.8-170.6174.800112.5T753 S1049T753-E1051 HydrophobicContact CG2-CB 4.07Å; S1049-E1051 PolarHBondContact O-N 3.25Å; S1049-E1051 WeakPolarHBondContact OG-CB 3.3Å; S1049-E1051 PolarHBondContact OG-N 2.66Å
1052T97.1Very high96.4Very high47 Ų4741.4 Ų41.429%0.28822%0.215SC..THydrogen-bonded Turntrans-93.8-38.3-175.555.70000113.1S1049S1049-T1052 PolarHBondContact O-N 3.04Å; S1049-T1052 PolarHBondContact O-OG1 3.33Å
1053V97.7Very high96.3Very high8 Ų838.2 Ų38.25%0.04820%0.202CC..SBendtrans-133.4104.4176.7-173.30000107.9L1002 S1016 S1049 M1056L1002-V1053 HydrophobicContact CB-CG2 4.47Å; S1016-V1053 VanDerWaalsContact OG-CG1 3.28Å; S1016-V1053 WeakPolarHBondContact OG-CG1 3.21Å; S1049-V1053 PolarHBondContact O-N 3.39Å; S1049-V1053 VanDerWaalsContact O-N 3.07Å; V1053-M1056 HydrophobicContact CB-CG 4.29Å; V1053-M1056 HydrophobicContact CB-SD 4.25Å; V1053-M1056 HydrophobicContact CG1-CG 4Å; V1053-M1056 WeakPolarHBondContact O-CE 3.41Å; V1053-M1056 VanDerWaalsContact O-CG 3.24Å; V1053-M1056 WeakPolarHBondContact O-CG 3.45Å; V1053-M1056 VanDerWaalsContact O-SD 3.32Å
1054P97Very high96.2Very high82 Ų8238.1 Ų38.153%0.53220%0.202SC..  trans-81.2164.4-178.633-36000112M1056P1054-M1056 VanDerWaalsContact C-N 3.27Å; P1054-M1056 PolarHBondContact O-N 3.12Å
1055N96.3Very high96.1Very high109 Ų10933.3 Ų33.358%0.58318%0.183SC*.SBendtrans54.638.7170.3-52.7-44.5000114.1
1056M95.9Very high96Very high8 Ų832.8 Ų32.84%0.03918%0.18CC..PPolyproline II helixtrans-67.9139.8179.7-57.7170.7-7800110.1P734 T735 T1048 T1050 V1053 P1054P734-M1056 HydrophobicContact CB-CE 3.79Å; P734-M1056 HydrophobicContact CG-CE 4.11Å; T735-M1056 WeakPolarHBondContact CB-O 3.46Å; T735-M1056 WeakPolarHBondContact OG1-CA 3.21Å; T735-M1056 WeakPolarHBondContact OG1-CB 3.44Å; T735-M1056 PolarHBondContact OG1-N 2.99Å; T735-M1056 PolarHBondContact OG1-O 3.22Å; T1048-M1056 HydrophobicContact CG2-CE 4.27Å; T1048-M1056 HydrophobicContact CG2-SD 3.54Å; T1048-M1056 VanDerWaalsContact CG2-SD 3.54Å; T1050-M1056 HydrophobicContact CG2-CE 3.61Å; V1053-M1056 HydrophobicContact CB-CG 4.29Å; V1053-M1056 HydrophobicContact CB-SD 4.25Å; V1053-M1056 HydrophobicContact CG1-CG 4Å; V1053-M1056 WeakPolarHBondContact O-CE 3.41Å; V1053-M1056 VanDerWaalsContact O-CG 3.24Å; V1053-M1056 WeakPolarHBondContact O-CG 3.45Å; V1053-M1056 VanDerWaalsContact O-SD 3.32Å; P1054-M1056 VanDerWaalsContact C-N 3.27Å; P1054-M1056 PolarHBondContact O-N 3.12Å
1057S96.3Very high96Very high12 Ų1228.2 Ų28.28%0.08416%0.161CC..PPolyproline II helixtrans-74.8154.8164.2-63.50000110L996L996-S1057 WeakPolarHBondContact CA-OG 3.44Å; L996-S1057 VanDerWaalsContact O-CB 3.29Å; L996-S1057 WeakPolarHBondContact O-CB 3.31Å; L996-S1057 PolarHBondContact O-OG 3.01Å
1058P96.1Very high96.2Very high9 Ų925.7 Ų25.76%0.05815%0.149CC..PPolyproline II helixtrans-57.2146.9177.821.6-32.3000111.3N733 E767 F991 A1060N733-P1058 HydrophobicContact CB-CB 4.01Å; E767-P1058 HydrophobicContact CG-CB 3.84Å; E767-P1058 HydrophobicContact CG-CG 4.46Å; F991-P1058 HydrophobicContact CE1-CG 3.93Å; F991-P1058 HydrophobicContact CZ-CG 4.05Å; F991-P1058 WeakPolarHBondContact CZ-O 3.14Å; P1058-A1060 VanDerWaalsContact C-N 3.33Å; P1058-A1060 HydrophobicContact CB-CB 4.45Å; P1058-A1060 PolarHBondContact O-N 3.14Å
1059C96.6Very high96.2Very high6 Ų625.5 Ų25.54%0.04115%0.148CC..SBendtrans-76.286.1172.7-172.80000110.1Q732 V1018 M1020 S1064Q732-C1059 PolarHBondContact NE2-O 3.26Å; Q732-C1059 PolarHBondContact O-N 3.02Å; V1018-C1059 HydrophobicContact CB-CB 4.16Å; V1018-C1059 PolarHBondContact O-SG 2.94Å; M1020-C1059 HydrophobicContact CE-CB 3.76Å; M1020-C1059 VanDerWaalsContact CE-SG 3.54Å; C1059-S1064 PolarHBondContact SG-OG 3.35Å
1060A95.4Very high96.2Very high17 Ų1726.4 Ų26.414%0.1415%0.152CC..  trans-152.8-169.9-171.800000113.3E767 F991 P1058 S1062 F1063 S1064E767-A1060 WeakPolarHBondContact OE2-CB 3.34Å; F991-A1060 HydrophobicContact CE1-CB 3.93Å; F991-A1060 HydrophobicContact CZ-CB 3.94Å; P1058-A1060 VanDerWaalsContact C-N 3.33Å; P1058-A1060 HydrophobicContact CB-CB 4.45Å; P1058-A1060 PolarHBondContact O-N 3.14Å; A1060-S1062 PolarHBondContact O-N 3.39Å; A1060-F1063 PolarHBondContact O-N 2.92Å; A1060-S1064 PolarHBondContact N-OG 2.83Å
1061A93.9Very high96.1Very high8 Ų826 Ų267%0.06615%0.149CC..THydrogen-bonded Turntrans56.622.7174.300000116G990 F991 F1063 E1244G990-A1061 PolarHBondContact N-O 3.37Å; F991-A1061 HydrophobicContact CD1-CB 3.79Å; F991-A1061 HydrophobicContact CD2-CB 4.07Å; F991-A1061 HydrophobicContact CE1-CB 3.78Å; F991-A1061 HydrophobicContact CE2-CB 4.05Å; F991-A1061 HydrophobicContact CG-CB 3.93Å; F991-A1061 HydrophobicContact CZ-CB 3.9Å; A1061-F1063 PolarHBondContact O-N 3.3Å; A1061-E1244 VanDerWaalsContact CA-OE2 3.25Å; A1061-E1244 WeakPolarHBondContact CA-OE2 3.45Å
1062S94.3Very high96.2Very high18 Ų1818.7 Ų18.713%0.12612%0.115CC..THydrogen-bonded Turntrans54.120.6-176.9-59.90000114.6A1060 G1241 E1244A1060-S1062 PolarHBondContact O-N 3.39Å; S1062-G1241 WeakPolarHBondContact O-CA 3.22Å; S1062-E1244 PolarHBondContact N-OE2 2.91Å; S1062-E1244 WeakPolarHBondContact OG-CB 3.38Å; S1062-E1244 WeakPolarHBondContact OG-CG 3.46Å; S1062-E1244 PolarHBondContact OG-N 2.87Å; S1062-E1244 PolarHBondContact OG-OE2 2.8Å
1063F94.5Very high96.3Very high0 Ų019.5 Ų19.50%012%0.115CC..THydrogen-bonded Turntrans-114.3-4.6-170.5-158.7-150.2000113.3I989 N997 A1060 A1061 S1065 D1066 L1067 P1117 Y1135I989-F1063 HydrophobicContact CG2-CB 4.11Å; I989-F1063 HydrophobicContact CG2-CD2 3.66Å; I989-F1063 HydrophobicContact CG2-CE2 4.44Å; I989-F1063 HydrophobicContact CG2-CG 4.14Å; N997-F1063 HydrophobicContact CB-CE1 4.42Å; A1060-F1063 PolarHBondContact O-N 2.92Å; A1061-F1063 PolarHBondContact O-N 3.3Å; F1063-S1065 PolarHBondContact O-N 3.43Å; F1063-D1066 HydrophobicContact CD2-CB 3.6Å; F1063-D1066 HydrophobicContact CE2-CB 3.58Å; F1063-D1066 PolarHBondContact O-N 3.43Å; F1063-L1067 HydrophobicContact CB-CD1 4.4Å; F1063-L1067 HydrophobicContact CD1-CD1 3.56Å; F1063-L1067 HydrophobicContact CD1-CD2 3.77Å; F1063-L1067 HydrophobicContact CD1-CG 3.46Å; F1063-L1067 VanDerWaalsContact CD1-CG 3.46Å; F1063-L1067 HydrophobicContact CD2-CG 4.45Å; F1063-L1067 HydrophobicContact CE1-CD1 4.12Å; F1063-L1067 HydrophobicContact CE1-CD2 3.43Å; F1063-L1067 VanDerWaalsContact CE1-CD2 3.43Å; F1063-L1067 HydrophobicContact CE1-CG 3.69Å; F1063-L1067 HydrophobicContact CG-CD1 4.14Å; F1063-L1067 HydrophobicContact CG-CG 3.88Å; F1063-L1067 HydrophobicContact CZ-CD2 3.95Å; F1063-L1067 HydrophobicContact CZ-CG 4.26Å; F1063-L1067 WeakPolarHBondContact O-CG 3.46Å; F1063-L1067 PolarHBondContact O-N 2.84Å; F1063-P1117 HydrophobicContact CE1-CG 3.81Å; F1063-P1117 HydrophobicContact CZ-CG 3.93Å; F1063-Y1135 HydrophobicContact CE2-CE1 4.38Å
1064S94.7Very high96.3Very high14 Ų1422.2 Ų22.210%0.09813%0.129CC..Hα-helixtrans-58.6-42.3-177.1-53.50000113.7C1059 A1060 D1066 N1068C1059-S1064 PolarHBondContact SG-OG 3.35Å; A1060-S1064 PolarHBondContact N-OG 2.83Å; S1064-D1066 VanDerWaalsContact C-N 3.32Å; S1064-D1066 PolarHBondContact O-N 3.09Å; S1064-N1068 VanDerWaalsContact O-CB 3.25Å; S1064-N1068 WeakPolarHBondContact O-CB 3.19Å; S1064-N1068 PolarHBondContact O-N 3.37Å; S1064-N1068 PolarHBondContact O-ND2 3.29Å
1065S94.7Very high96.4Very high18 Ų1818.3 Ų18.313%0.12610%0.103CC..Hα-helixtrans-64.1-37.9178.4-63.80000112.2M1028 F1063 G1069M1028-S1065 WeakPolarHBondContact CE-O 3.49Å; F1063-S1065 PolarHBondContact O-N 3.43Å; S1065-G1069 VanDerWaalsContact O-CA 3.23Å; S1065-G1069 WeakPolarHBondContact O-CA 3.41Å; S1065-G1069 PolarHBondContact O-N 3.13Å
1066D94.7Very high96.5Very high1 Ų113.1 Ų13.11%0.0058%0.076CC..Hα-helixtrans-73.1-50.9178.9-71.43.8000111.1F1063 S1064 G1069 I1070 Y1135 S1239F1063-D1066 HydrophobicContact CD2-CB 3.6Å; F1063-D1066 HydrophobicContact CE2-CB 3.58Å; F1063-D1066 PolarHBondContact O-N 3.43Å; S1064-D1066 VanDerWaalsContact C-N 3.32Å; S1064-D1066 PolarHBondContact O-N 3.09Å; D1066-G1069 PolarHBondContact O-N 3.47Å; D1066-I1070 WeakPolarHBondContact O-CB 3.3Å; D1066-I1070 VanDerWaalsContact O-CG1 3.3Å; D1066-I1070 WeakPolarHBondContact O-CG1 3.31Å; D1066-I1070 PolarHBondContact O-N 2.96Å; D1066-Y1135 WeakPolarHBondContact OD2-CE1 3.37Å; D1066-Y1135 PolarHBondContact OD2-OH 3.31Å; D1066-S1239 PolarHBondContact OD1-OG 2.75Å
1067L96.4Very high96.6Very high6 Ų616.1 Ų16.13%0.0319%0.089CC..Hα-helixtrans-59.3-53-178.1-72.4177.3000111.2F991 A999 F1063 A1071 Y1115 P1117F991-L1067 HydrophobicContact CE2-CD1 4.44Å; A999-L1067 HydrophobicContact CB-CB 3.68Å; F1063-L1067 HydrophobicContact CB-CD1 4.4Å; F1063-L1067 HydrophobicContact CD1-CD1 3.56Å; F1063-L1067 HydrophobicContact CD1-CD2 3.77Å; F1063-L1067 HydrophobicContact CD1-CG 3.46Å; F1063-L1067 VanDerWaalsContact CD1-CG 3.46Å; F1063-L1067 HydrophobicContact CD2-CG 4.45Å; F1063-L1067 HydrophobicContact CE1-CD1 4.12Å; F1063-L1067 HydrophobicContact CE1-CD2 3.43Å; F1063-L1067 VanDerWaalsContact CE1-CD2 3.43Å; F1063-L1067 HydrophobicContact CE1-CG 3.69Å; F1063-L1067 HydrophobicContact CG-CD1 4.14Å; F1063-L1067 HydrophobicContact CG-CG 3.88Å; F1063-L1067 HydrophobicContact CZ-CD2 3.95Å; F1063-L1067 HydrophobicContact CZ-CG 4.26Å; F1063-L1067 WeakPolarHBondContact O-CG 3.46Å; F1063-L1067 PolarHBondContact O-N 2.84Å; L1067-A1071 WeakPolarHBondContact O-CB 3.26Å; L1067-A1071 PolarHBondContact O-N 3.43Å; L1067-Y1115 HydrophobicContact CD2-CD1 3.71Å; L1067-Y1115 HydrophobicContact CD2-CE1 3.97Å; L1067-P1117 HydrophobicContact CD2-CG 4.31Å
1068N97.7Very high96.7Very high6 Ų619.1 Ų19.13%0.03210%0.101CC..Hα-helixtrans-72.4-31.3-179.4-66.4-88.1000111.7H1015 S1016 G1017 M1028 S1064 A1071 T1072H1015-N1068 HydrophobicContact CB-CB 4.32Å; H1015-N1068 PolarHBondContact ND1-OD1 3.23Å; S1016-N1068 WeakPolarHBondContact CA-OD1 3.08Å; S1016-N1068 WeakPolarHBondContact CB-OD1 3.22Å; S1016-N1068 PolarHBondContact N-OD1 2.92Å; G1017-N1068 PolarHBondContact N-OD1 2.94Å; G1017-N1068 VanDerWaalsContact N-OD1 3.08Å; M1028-N1068 HydrophobicContact CG-CB 4.42Å; M1028-N1068 HydrophobicContact SD-CB 3.49Å; M1028-N1068 WeakPolarHBondContact SD-CB 3.42Å; M1028-N1068 VanDerWaalsContact SD-O 3.41Å; S1064-N1068 VanDerWaalsContact O-CB 3.25Å; S1064-N1068 WeakPolarHBondContact O-CB 3.19Å; S1064-N1068 PolarHBondContact O-N 3.37Å; S1064-N1068 PolarHBondContact O-ND2 3.29Å; N1068-A1071 PolarHBondContact O-N 3.41Å; N1068-T1072 VanDerWaalsContact O-CB 3.26Å; N1068-T1072 WeakPolarHBondContact O-CB 3.23Å; N1068-T1072 PolarHBondContact O-N 2.87Å; N1068-T1072 PolarHBondContact O-OG1 2.9Å
1069G97.3Very high96.8Very high0 Ų018.7 Ų18.70%010%0.098CC..Hα-helixtrans-66-45.5177.800000111.5M1028 V1031 S1065 D1066 T1072 K1073M1028-G1069 VanDerWaalsContact SD-CA 3.51Å; M1028-G1069 PolarHBondContact SD-N 3.46Å; V1031-G1069 WeakPolarHBondContact CG1-O 3.5Å; S1065-G1069 VanDerWaalsContact O-CA 3.23Å; S1065-G1069 WeakPolarHBondContact O-CA 3.41Å; S1065-G1069 PolarHBondContact O-N 3.13Å; D1066-G1069 PolarHBondContact O-N 3.47Å; G1069-T1072 PolarHBondContact O-N 3.12Å; G1069-K1073 VanDerWaalsContact O-CB 3.31Å; G1069-K1073 WeakPolarHBondContact O-CB 3.39Å; G1069-K1073 PolarHBondContact O-N 2.74Å
1070I97.5Very high96.8Very high24 Ų2420.5 Ų20.512%0.12311%0.107CC..Hα-helixtrans-68.8-41.3176.3-61.5169.5000110.5D1066 T1072 K1073 L1074 Y1115 V1236D1066-I1070 WeakPolarHBondContact O-CB 3.3Å; D1066-I1070 VanDerWaalsContact O-CG1 3.3Å; D1066-I1070 WeakPolarHBondContact O-CG1 3.31Å; D1066-I1070 PolarHBondContact O-N 2.96Å; I1070-T1072 VanDerWaalsContact C-N 3.34Å; I1070-T1072 PolarHBondContact O-N 2.96Å; I1070-K1073 PolarHBondContact O-N 3.47Å; I1070-L1074 HydrophobicContact CG2-CD1 3.98Å; I1070-L1074 HydrophobicContact CG2-CG 4.25Å; I1070-L1074 WeakPolarHBondContact O-CB 3.45Å; I1070-L1074 VanDerWaalsContact O-CG 3.24Å; I1070-L1074 WeakPolarHBondContact O-CG 3.27Å; I1070-L1074 PolarHBondContact O-N 3.25Å; I1070-Y1115 HydrophobicContact CB-CD1 3.86Å; I1070-Y1115 HydrophobicContact CB-CD2 4.09Å; I1070-Y1115 HydrophobicContact CB-CE1 4.25Å; I1070-Y1115 HydrophobicContact CB-CE2 4.48Å; I1070-Y1115 HydrophobicContact CB-CG 3.75Å; I1070-Y1115 HydrophobicContact CD1-CD1 3.97Å; I1070-Y1115 HydrophobicContact CD1-CD2 4.44Å; I1070-Y1115 HydrophobicContact CD1-CE1 3.42Å; I1070-Y1115 VanDerWaalsContact CD1-CE1 3.42Å; I1070-Y1115 HydrophobicContact CD1-CE2 3.98Å; I1070-Y1115 HydrophobicContact CD1-CG 4.42Å; I1070-Y1115 VanDerWaalsContact CD1-CZ 3.42Å; I1070-Y1115 HydrophobicContact CG1-CD1 4.46Å; I1070-Y1115 HydrophobicContact CG1-CE1 4.37Å; I1070-Y1115 HydrophobicContact CG2-CD1 4.08Å; I1070-Y1115 HydrophobicContact CG2-CD2 3.36Å; I1070-Y1115 HydrophobicContact CG2-CE1 4.45Å; I1070-Y1115 HydrophobicContact CG2-CE2 3.81Å; I1070-Y1115 HydrophobicContact CG2-CG 3.5Å; I1070-Y1115 VanDerWaalsContact CG2-CG 3.5Å; I1070-V1236 HydrophobicContact CG1-CB 3.92Å; I1070-V1236 HydrophobicContact CG1-CG2 4.39Å
1071A98.3Very high97Very high0 Ų028.1 Ų28.10%013%0.132CC..Hα-helixtrans-58.8-44.9174.500000112A999 A1001 L1067 N1068 L1074 A1075 G1113A999-A1071 HydrophobicContact CB-CB 4.46Å; A1001-A1071 HydrophobicContact CB-CB 4.03Å; L1067-A1071 WeakPolarHBondContact O-CB 3.26Å; L1067-A1071 PolarHBondContact O-N 3.43Å; N1068-A1071 PolarHBondContact O-N 3.41Å; A1071-L1074 PolarHBondContact O-N 3.13Å; A1071-A1075 PolarHBondContact O-N 2.88Å; A1071-A1075 VanDerWaalsContact O-N 3.09Å; A1071-G1113 WeakPolarHBondContact O-CA 3.27Å
1072T98.4Very high97.1Very high0 Ų031.4 Ų31.40%014%0.143CC..Hα-helixtrans-61.9-48.3175.8-61.10000111.2L1013 V1031 A1032 N1068 G1069 I1070 L1074 A1075 C1076L1013-T1072 HydrophobicContact CD1-CG2 3.87Å; L1013-T1072 HydrophobicContact CD2-CG2 3.84Å; V1031-T1072 HydrophobicContact CG1-CG2 4.21Å; A1032-T1072 HydrophobicContact CB-CG2 3.97Å; N1068-T1072 VanDerWaalsContact O-CB 3.26Å; N1068-T1072 WeakPolarHBondContact O-CB 3.23Å; N1068-T1072 PolarHBondContact O-N 2.87Å; N1068-T1072 PolarHBondContact O-OG1 2.9Å; G1069-T1072 PolarHBondContact O-N 3.12Å; I1070-T1072 VanDerWaalsContact C-N 3.34Å; I1070-T1072 PolarHBondContact O-N 2.96Å; T1072-L1074 VanDerWaalsContact C-N 3.32Å; T1072-L1074 PolarHBondContact O-N 3.49Å; T1072-A1075 WeakPolarHBondContact O-CB 3.39Å; T1072-A1075 PolarHBondContact O-N 3.25Å; T1072-C1076 PolarHBondContact O-N 3.09Å; T1072-C1076 PolarHBondContact O-SG 2.97Å; T1072-C1076 VanDerWaalsContact O-SG 3.4Å
1073K98.2Very high97.3Very high64 Ų6430.6 Ų30.628%0.27814%0.137SC..Hα-helixtrans-54.3-48.6176.5173.6-179.4170.5-170.60111.3V1031 V1035 G1069 I1070 A1075 C1076 E1077 F1237V1031-K1073 HydrophobicContact CG1-CB 4.05Å; V1035-K1073 HydrophobicContact CG2-CB 4.25Å; V1035-K1073 HydrophobicContact CG2-CG 3.91Å; G1069-K1073 VanDerWaalsContact O-CB 3.31Å; G1069-K1073 WeakPolarHBondContact O-CB 3.39Å; G1069-K1073 PolarHBondContact O-N 2.74Å; I1070-K1073 PolarHBondContact O-N 3.47Å; K1073-A1075 VanDerWaalsContact C-N 3.34Å; K1073-A1075 PolarHBondContact O-N 3.1Å; K1073-C1076 PolarHBondContact O-N 3.4Å; K1073-E1077 WeakPolarHBondContact CE-OE1 3.47Å; K1073-E1077 HydrophobicContact CG-CG 4.32Å; K1073-E1077 IonicContact NZ-OE1 3.46Å; K1073-E1077 WeakPolarHBondContact O-CB 3.38Å; K1073-E1077 WeakPolarHBondContact O-CG 3.1Å; K1073-E1077 PolarHBondContact O-N 3.26Å; K1073-F1237 HydrophobicContact CD-CE1 4.47Å
1074L98.4Very high97.4Very high65 Ų6536.2 Ų36.234%0.3416%0.162SC..Hα-helixtrans-63.6-37.4-179.5-69.5171.7000112.6I1070 A1071 T1072 K1078 F1114I1070-L1074 HydrophobicContact CG2-CD1 3.98Å; I1070-L1074 HydrophobicContact CG2-CG 4.25Å; I1070-L1074 WeakPolarHBondContact O-CB 3.45Å; I1070-L1074 VanDerWaalsContact O-CG 3.24Å; I1070-L1074 WeakPolarHBondContact O-CG 3.27Å; I1070-L1074 PolarHBondContact O-N 3.25Å; A1071-L1074 PolarHBondContact O-N 3.13Å; T1072-L1074 VanDerWaalsContact C-N 3.32Å; T1072-L1074 PolarHBondContact O-N 3.49Å; L1074-K1078 WeakPolarHBondContact O-CB 3.47Å; L1074-K1078 PolarHBondContact O-N 3.47Å; L1074-K1078 VanDerWaalsContact O-N 3.09Å; L1074-F1114 WeakPolarHBondContact CD1-O 3.24Å
1075A98.6Very high97.4Very high0 Ų039.2 Ų39.20%018%0.181CC..Hα-helixtrans-64.1-4817400000111.5V1003 A1071 T1072 K1073 K1078 L1079V1003-A1075 HydrophobicContact CB-CB 4.2Å; V1003-A1075 HydrophobicContact CG2-CB 3.59Å; A1071-A1075 PolarHBondContact O-N 2.88Å; A1071-A1075 VanDerWaalsContact O-N 3.09Å; T1072-A1075 WeakPolarHBondContact O-CB 3.39Å; T1072-A1075 PolarHBondContact O-N 3.25Å; K1073-A1075 VanDerWaalsContact C-N 3.34Å; K1073-A1075 PolarHBondContact O-N 3.1Å; A1075-K1078 WeakPolarHBondContact O-CB 3.27Å; A1075-K1078 PolarHBondContact O-N 3.42Å; A1075-L1079 PolarHBondContact O-N 3.18Å; A1075-L1079 VanDerWaalsContact O-N 3.1Å
1076C98.6Very high97.5Very high0 Ų038.6 Ų38.60%018%0.176CC..Hα-helixtrans-63.1-43.5178.1-68.70000112.3V1035 L1036 T1072 K1073 K1078 L1079 L1080V1035-C1076 HydrophobicContact CB-CB 3.87Å; V1035-C1076 HydrophobicContact CG1-CB 3.45Å; V1035-C1076 VanDerWaalsContact CG1-CB 3.45Å; L1036-C1076 HydrophobicContact CD2-CB 3.8Å; L1036-C1076 HydrophobicContact CG-CB 3.98Å; T1072-C1076 PolarHBondContact O-N 3.09Å; T1072-C1076 PolarHBondContact O-SG 2.97Å; T1072-C1076 VanDerWaalsContact O-SG 3.4Å; K1073-C1076 PolarHBondContact O-N 3.4Å; C1076-K1078 VanDerWaalsContact C-N 3.28Å; C1076-K1078 PolarHBondContact O-N 3.48Å; C1076-L1079 PolarHBondContact O-N 2.85Å; C1076-L1079 VanDerWaalsContact O-N 3.15Å; C1076-L1080 PolarHBondContact O-N 3.41Å
1077E98.2Very high97.6Very high70 Ų7040.5 Ų40.533%0.32719%0.186SC..Hα-helixtrans-62-35.7175.3-75.3176.1164.500112.2V1035 K1073 R1081V1035-E1077 HydrophobicContact CG1-CG 3.87Å; K1073-E1077 WeakPolarHBondContact CE-OE1 3.47Å; K1073-E1077 HydrophobicContact CG-CG 4.32Å; K1073-E1077 IonicContact NZ-OE1 3.46Å; K1073-E1077 WeakPolarHBondContact O-CB 3.38Å; K1073-E1077 WeakPolarHBondContact O-CG 3.1Å; K1073-E1077 PolarHBondContact O-N 3.26Å; E1077-R1081 WeakPolarHBondContact O-CG 3.47Å; E1077-R1081 PolarHBondContact O-N 3.32Å
1078K98.3Very high97.5Very high75 Ų7546.2 Ų46.233%0.32621%0.212SC..Hα-helixtrans-65.1-40.9174.4-167.2174.7-174177.90111.5L1074 A1075 C1076 R1082 A1111L1074-K1078 WeakPolarHBondContact O-CB 3.47Å; L1074-K1078 PolarHBondContact O-N 3.47Å; L1074-K1078 VanDerWaalsContact O-N 3.09Å; A1075-K1078 WeakPolarHBondContact O-CB 3.27Å; A1075-K1078 PolarHBondContact O-N 3.42Å; C1076-K1078 VanDerWaalsContact C-N 3.28Å; C1076-K1078 PolarHBondContact O-N 3.48Å; K1078-R1082 WeakPolarHBondContact O-CG 3.32Å; K1078-R1082 PolarHBondContact O-N 3.46Å; K1078-A1111 HydrophobicContact CB-CB 4.35Å; K1078-A1111 HydrophobicContact CD-CB 4.23Å; K1078-A1111 HydrophobicContact CG-CB 4.44Å
1079L98.2Very high97.4Very high1 Ų152.4 Ų52.41%0.00524%0.239CC..Hα-helixtrans-66.5-44.9174.6-71164.5000111.7V1003 I1005 A1075 C1076 R1081 R1082 L1083 A1111V1003-L1079 HydrophobicContact CB-CD1 3.8Å; V1003-L1079 HydrophobicContact CG1-CD1 3.5Å; V1003-L1079 VanDerWaalsContact CG1-CD1 3.5Å; I1005-L1079 HydrophobicContact CD1-CB 4.19Å; I1005-L1079 HydrophobicContact CD1-CD1 3.9Å; I1005-L1079 HydrophobicContact CD1-CD2 4.36Å; I1005-L1079 HydrophobicContact CD1-CG 4.37Å; I1005-L1079 HydrophobicContact CG1-CD1 4.1Å; A1075-L1079 PolarHBondContact O-N 3.18Å; A1075-L1079 VanDerWaalsContact O-N 3.1Å; C1076-L1079 PolarHBondContact O-N 2.85Å; C1076-L1079 VanDerWaalsContact O-N 3.15Å; L1079-R1081 VanDerWaalsContact C-N 3.33Å; L1079-R1081 PolarHBondContact O-N 3.26Å; L1079-R1082 WeakPolarHBondContact O-CA 3.22Å; L1079-R1082 WeakPolarHBondContact O-CB 3.24Å; L1079-R1082 PolarHBondContact O-N 3.06Å; L1079-L1083 WeakPolarHBondContact O-CG 3.48Å; L1079-L1083 PolarHBondContact O-N 2.92Å; L1079-A1111 HydrophobicContact CD1-CB 4.1Å; L1079-A1111 HydrophobicContact CD2-CB 3.82Å; L1079-A1111 HydrophobicContact CG-CB 3.61Å
1080L97.3Very high97.2Very high43 Ų4355.2 Ų55.223%0.22525%0.25CS..Hα-helixtrans-60.1-41176.5-77164.7000112.6V1035 L1036 C1076 R1082 L1083 K1084 I1087V1035-L1080 HydrophobicContact CG1-CD1 3.74Å; V1035-L1080 WeakPolarHBondContact O-CD1 3.31Å; L1036-L1080 HydrophobicContact CD2-CD1 4.21Å; L1036-L1080 HydrophobicContact CD2-CD2 4.33Å; L1036-L1080 HydrophobicContact CD2-CG 3.9Å; C1076-L1080 PolarHBondContact O-N 3.41Å; L1080-R1082 PolarHBondContact O-N 3.15Å; L1080-L1083 CarbonylContact O-C 3.55Å; L1080-L1083 PolarHBondContact O-N 3.3Å; L1080-L1083 VanDerWaalsContact O-N 3.14Å; L1080-K1084 WeakPolarHBondContact O-CB 3.26Å; L1080-K1084 PolarHBondContact O-N 2.95Å; L1080-I1087 HydrophobicContact CD2-CD1 4.41Å
1081R98Very high96.9Very high177 Ų17757.6 Ų57.667%0.66827%0.269SS*.Hα-helixtrans-59.3-36.3174.4-78.1-174.4-68162.1-5.7112.5E1077 L1079E1077-R1081 WeakPolarHBondContact O-CG 3.47Å; E1077-R1081 PolarHBondContact O-N 3.32Å; L1079-R1081 VanDerWaalsContact C-N 3.33Å; L1079-R1081 PolarHBondContact O-N 3.26Å
1082R97.7Very high96.5Very high77 Ų7766.2 Ų66.229%0.29131%0.309SS..Hα-helixtrans-72.6-35.7175.4-67.3175.6179.8172.61.6112.4K1078 L1079 L1080 P1085 I1107 S1108 S1110K1078-R1082 WeakPolarHBondContact O-CG 3.32Å; K1078-R1082 PolarHBondContact O-N 3.46Å; L1079-R1082 WeakPolarHBondContact O-CA 3.22Å; L1079-R1082 WeakPolarHBondContact O-CB 3.24Å; L1079-R1082 PolarHBondContact O-N 3.06Å; L1080-R1082 PolarHBondContact O-N 3.15Å; R1082-P1085 WeakPolarHBondContact O-CD 3.35Å; R1082-I1107 HydrophobicContact CB-CG2 3.79Å; R1082-S1108 VanDerWaalsContact CD-O 3.32Å; R1082-S1108 WeakPolarHBondContact CD-O 3.45Å; R1082-S1108 PolarHBondContact NH1-O 3.33Å; R1082-S1108 PolarHBondContact NH1-OG 3.2Å; R1082-S1110 PolarHBondContact NH1-O 3.29Å
1083L97.1Very high96.3Very high2 Ų269.4 Ų69.41%0.0132%0.324CS..Hα-helixtrans-80.4-21.7179.7-69.8173.7000113.4I1005 L1079 L1080 P1085 I1086 I1087 W1095 I1099 A1102 L1109I1005-L1083 HydrophobicContact CD1-CD1 4.1Å; L1079-L1083 WeakPolarHBondContact O-CG 3.48Å; L1079-L1083 PolarHBondContact O-N 2.92Å; L1080-L1083 CarbonylContact O-C 3.55Å; L1080-L1083 PolarHBondContact O-N 3.3Å; L1080-L1083 VanDerWaalsContact O-N 3.14Å; L1083-P1085 VanDerWaalsContact C-CD 3.46Å; L1083-I1086 WeakPolarHBondContact O-CA 3.34Å; L1083-I1086 WeakPolarHBondContact O-CB 3.44Å; L1083-I1086 PolarHBondContact O-N 3.21Å; L1083-I1087 HydrophobicContact CB-CD1 3.92Å; L1083-I1087 HydrophobicContact CB-CG1 4.32Å; L1083-I1087 WeakPolarHBondContact O-CG1 3.47Å; L1083-I1087 PolarHBondContact O-N 3.31Å; L1083-W1095 HydrophobicContact CD1-CH2 3.81Å; L1083-W1095 HydrophobicContact CD1-CZ3 3.93Å; L1083-I1099 HydrophobicContact CD1-CD1 3.67Å; L1083-I1099 HydrophobicContact CD2-CD1 3.82Å; L1083-I1099 HydrophobicContact CG-CD1 4.41Å; L1083-A1102 HydrophobicContact CD2-CB 3.55Å; L1083-L1109 HydrophobicContact CD2-CD2 3.84Å
1084K96.4Very high96.1Very high117 Ų11769.2 Ų69.251%0.50933%0.331SS..Hα-helixtrans-46.8-47.4-176.1-178.5175.9177.5178.80113.8L1080 I1086 I1087 E1088L1080-K1084 WeakPolarHBondContact O-CB 3.26Å; L1080-K1084 PolarHBondContact O-N 2.95Å; K1084-I1086 PolarHBondContact O-N 2.82Å; K1084-I1087 PolarHBondContact O-N 2.77Å; K1084-E1088 WeakPolarHBondContact CE-OE1 3.41Å; K1084-E1088 HydrophobicContact CG-CG 4.26Å; K1084-E1088 IonicContact NZ-OE1 3Å; K1084-E1088 WeakPolarHBondContact O-CB 3.36Å; K1084-E1088 WeakPolarHBondContact O-CG 3.44Å; K1084-E1088 PolarHBondContact O-N 3.09Å
1085P96.1Very high96Very high78 Ų7866.9 Ų66.951%0.50632%0.318SS..Hα-helixtrans-64.2-26.9178.4-21.134000114.1R1082 L1083 K1089R1082-P1085 WeakPolarHBondContact O-CD 3.35Å; L1083-P1085 VanDerWaalsContact C-CD 3.46Å; P1085-K1089 VanDerWaalsContact O-CB 3.27Å; P1085-K1089 WeakPolarHBondContact O-CB 3.44Å; P1085-K1089 PolarHBondContact O-N 3.34Å
1086I96.7Very high95.9Very high4 Ų469.8 Ų69.82%0.02133%0.331CS..Hα-helixtrans-77.5-47.9176.2-52.8-55.8000109.8L1083 K1084 E1088 K1089 Y1090 W1098 K1101 A1102 K1105 I1107L1083-I1086 WeakPolarHBondContact O-CA 3.34Å; L1083-I1086 WeakPolarHBondContact O-CB 3.44Å; L1083-I1086 PolarHBondContact O-N 3.21Å; K1084-I1086 PolarHBondContact O-N 2.82Å; I1086-E1088 VanDerWaalsContact C-N 3.33Å; I1086-E1088 PolarHBondContact O-N 3.18Å; I1086-K1089 PolarHBondContact O-N 3.26Å; I1086-Y1090 HydrophobicContact CG2-CD2 3.96Å; I1086-Y1090 WeakPolarHBondContact O-CD2 3.2Å; I1086-Y1090 PolarHBondContact O-N 2.9Å; I1086-W1098 HydrophobicContact CG2-CB 4.03Å; I1086-W1098 HydrophobicContact CG2-CG 4.43Å; I1086-K1101 HydrophobicContact CG2-CB 3.92Å; I1086-A1102 HydrophobicContact CG1-CB 4.29Å; I1086-K1105 HydrophobicContact CD1-CD 3.31Å; I1086-I1107 HydrophobicContact CD1-CD1 4.02Å; I1086-I1107 HydrophobicContact CG1-CD1 3.95Å
1087I95.5Very high95.8Very high41 Ų4171.6 Ų71.621%0.2134%0.344CS..Hα-helixtrans-60.4-44.7-179.9-61.6171.6000110.3L1080 L1083 K1084 K1089 Y1090 S1091 W1098L1080-I1087 HydrophobicContact CD2-CD1 4.41Å; L1083-I1087 HydrophobicContact CB-CD1 3.92Å; L1083-I1087 HydrophobicContact CB-CG1 4.32Å; L1083-I1087 WeakPolarHBondContact O-CG1 3.47Å; L1083-I1087 PolarHBondContact O-N 3.31Å; K1084-I1087 PolarHBondContact O-N 2.77Å; I1087-K1089 PolarHBondContact O-N 2.89Å; I1087-Y1090 CarbonylContact O-C 3.58Å; I1087-Y1090 PolarHBondContact O-N 3.27Å; I1087-S1091 WeakPolarHBondContact O-CA 3.43Å; I1087-S1091 WeakPolarHBondContact O-CB 3.22Å; I1087-S1091 PolarHBondContact O-N 2.96Å; I1087-W1098 HydrophobicContact CB-CD2 4.48Å; I1087-W1098 HydrophobicContact CD1-CE3 4.17Å; I1087-W1098 HydrophobicContact CD1-CZ3 4.35Å; I1087-W1098 HydrophobicContact CG1-CD2 3.8Å; I1087-W1098 HydrophobicContact CG1-CE3 3.69Å; I1087-W1098 HydrophobicContact CG1-CG 4.24Å; I1087-W1098 HydrophobicContact CG1-CZ3 4.12Å; I1087-W1098 HydrophobicContact CG2-CH2 3.97Å; I1087-W1098 HydrophobicContact CG2-CZ2 4Å; I1087-W1098 HydrophobicContact CG2-CZ3 4.25Å
1088E95.3Very high95.8Very high126 Ų12670.4 Ų70.459%0.58934%0.336SS*.Hα-helixtrans-65.2-38.7178.7-72.3174.6161.200112.2K1084 I1086K1084-E1088 WeakPolarHBondContact CE-OE1 3.41Å; K1084-E1088 HydrophobicContact CG-CG 4.26Å; K1084-E1088 IonicContact NZ-OE1 3Å; K1084-E1088 WeakPolarHBondContact O-CB 3.36Å; K1084-E1088 WeakPolarHBondContact O-CG 3.44Å; K1084-E1088 PolarHBondContact O-N 3.09Å; I1086-E1088 VanDerWaalsContact C-N 3.33Å; I1086-E1088 PolarHBondContact O-N 3.18Å
1089K95.1Very high95.8Very high137 Ų13766.8 Ų66.860%0.59632%0.321SS*.Hα-helixtrans-74.5-31.5-179.6-174.5170.9-178.8178.60113.2P1085 I1086 I1087P1085-K1089 VanDerWaalsContact O-CB 3.27Å; P1085-K1089 WeakPolarHBondContact O-CB 3.44Å; P1085-K1089 PolarHBondContact O-N 3.34Å; I1086-K1089 PolarHBondContact O-N 3.26Å; I1087-K1089 PolarHBondContact O-N 2.89Å
1090Y93.8Very high95.7Very high58 Ų5870.5 Ų70.523%0.22734%0.34CS..THydrogen-bonded Turntrans-124.441.8-173.3-58-78.9000111.4I1086 I1087 Q1092 E1093 W1098 K1101I1086-Y1090 HydrophobicContact CG2-CD2 3.96Å; I1086-Y1090 WeakPolarHBondContact O-CD2 3.2Å; I1086-Y1090 PolarHBondContact O-N 2.9Å; I1087-Y1090 CarbonylContact O-C 3.58Å; I1087-Y1090 PolarHBondContact O-N 3.27Å; Y1090-Q1092 PolarHBondContact O-N 3.43Å; Y1090-E1093 WeakPolarHBondContact CD1-OE1 3.39Å; Y1090-E1093 WeakPolarHBondContact O-CB 3.49Å; Y1090-E1093 PolarHBondContact O-N 3.49Å; Y1090-W1098 PolarHBondContact O-NE1 2.99Å; Y1090-K1101 HydrophobicContact CD1-CD 3.93Å; Y1090-K1101 HydrophobicContact CD2-CD 3.47Å; Y1090-K1101 VanDerWaalsContact CD2-CD 3.47Å; Y1090-K1101 HydrophobicContact CE1-CD 3.91Å; Y1090-K1101 HydrophobicContact CE2-CD 3.45Å; Y1090-K1101 VanDerWaalsContact CE2-CD 3.45Å; Y1090-K1101 HydrophobicContact CG-CD 3.73Å
1091S90.5Very high95.7Very high74 Ų7470.2 Ų70.252%0.51734%0.337SS..THydrogen-bonded Turntrans-59.2-20.1-166.359.50000116.4I1087I1087-S1091 WeakPolarHBondContact O-CA 3.43Å; I1087-S1091 WeakPolarHBondContact O-CB 3.22Å; I1087-S1091 PolarHBondContact O-N 2.96Å
1092Q91.1Very high95.7Very high182 Ų18261.8 Ų61.885%0.8531%0.305SS*.THydrogen-bonded Turntrans-91.3-7178.5-60.4-59.9-40.800113.7Y1090Y1090-Q1092 PolarHBondContact O-N 3.43Å
1093E93Very high95.7Very high66 Ų6664.4 Ų64.431%0.30832%0.316SS..SBendtrans-87.5163.5-177.9-60.7-173.1-176.500112.2Y1090 C1097 W1098 K1101Y1090-E1093 WeakPolarHBondContact CD1-OE1 3.39Å; Y1090-E1093 WeakPolarHBondContact O-CB 3.49Å; Y1090-E1093 PolarHBondContact O-N 3.49Å; E1093-C1097 HydrophobicContact CB-CB 4Å; E1093-C1097 WeakPolarHBondContact OE2-CB 3.32Å; E1093-C1097 PolarHBondContact OE2-SG 3.04Å; E1093-W1098 VanDerWaalsContact O-CE2 3.27Å; E1093-W1098 WeakPolarHBondContact O-CZ2 3.38Å; E1093-W1098 PolarHBondContact O-NE1 3.49Å; E1093-K1101 VanDerWaalsContact CD-CE 3.43Å; E1093-K1101 WeakPolarHBondContact OE1-CE 3.38Å; E1093-K1101 IonicContact OE1-NZ 3.89Å; E1093-K1101 WeakPolarHBondContact OE2-CE 3.47Å; E1093-K1101 IonicContact OE2-NZ 2.81Å; E1093-K1101 PolarHBondContact OE2-NZ 3.47Å
1094S95.1Very high95.6Very high61 Ų6171.1 Ų71.143%0.42735%0.347SS..  trans-74.4162.3179.882.60000112.2E1096 C1097 W1098S1094-E1096 VanDerWaalsContact C-N 3.26Å; S1094-E1096 VanDerWaalsContact CB-OE2 3.26Å; S1094-E1096 WeakPolarHBondContact CB-OE2 3.47Å; S1094-E1096 PolarHBondContact O-N 3.32Å; S1094-E1096 PolarHBondContact OG-N 2.76Å; S1094-E1096 PolarHBondContact OG-OE2 3.44Å; S1094-C1097 PolarHBondContact O-N 3.02Å; S1094-C1097 PolarHBondContact OG-N 3.28Å; S1094-W1098 PolarHBondContact O-N 2.98Å; S1094-W1098 VanDerWaalsContact O-N 3.08Å
1095W96.1Very high95.6Very high16 Ų1670.7 Ų70.76%0.06135%0.345CS..Hα-helixtrans-47.8-48171.4170.7-103.4000112.3I1005 G1009 V1011 L1036 I1038 L1083 C1097 W1098 I1099I1005-W1095 HydrophobicContact CD1-CH2 3.77Å; I1005-W1095 HydrophobicContact CD1-CZ2 3.81Å; I1005-W1095 HydrophobicContact CG1-CZ2 4.34Å; I1005-W1095 HydrophobicContact CG2-CZ2 3.87Å; G1009-W1095 PolarHBondContact O-NE1 3.17Å; V1011-W1095 HydrophobicContact CG2-CZ2 4.28Å; L1036-W1095 HydrophobicContact CD2-CH2 4.44Å; I1038-W1095 HydrophobicContact CD1-CZ2 4.3Å; I1038-W1095 HydrophobicContact CG2-CD2 3.63Å; I1038-W1095 HydrophobicContact CG2-CE3 3.74Å; I1038-W1095 HydrophobicContact CG2-CG 3.99Å; I1038-W1095 HydrophobicContact CG2-CH2 4.49Å; I1038-W1095 HydrophobicContact CG2-CZ2 4.39Å; I1038-W1095 HydrophobicContact CG2-CZ3 4.18Å; L1083-W1095 HydrophobicContact CD1-CH2 3.81Å; L1083-W1095 HydrophobicContact CD1-CZ3 3.93Å; W1095-C1097 VanDerWaalsContact C-N 3.28Å; W1095-C1097 PolarHBondContact O-N 3.4Å; W1095-W1098 HydrophobicContact CE3-CE3 4.01Å; W1095-W1098 HydrophobicContact CE3-CZ3 4.39Å; W1095-W1098 WeakPolarHBondContact O-CB 3.4Å; W1095-W1098 PolarHBondContact O-N 3.29Å; W1095-W1098 VanDerWaalsContact O-N 3.17Å; W1095-I1099 HydrophobicContact CD2-CD1 4.38Å; W1095-I1099 HydrophobicContact CD2-CG1 4.17Å; W1095-I1099 HydrophobicContact CH2-CD1 3.93Å; W1095-I1099 HydrophobicContact CZ2-CD1 3.77Å; W1095-I1099 HydrophobicContact CZ2-CG1 4.03Å; W1095-I1099 HydrophobicContact CZ3-CD1 4.3Å; W1095-I1099 WeakPolarHBondContact O-CG1 3.01Å; W1095-I1099 PolarHBondContact O-N 2.97Å
1096E96.7Very high95.7Very high60 Ų6078 Ų7828%0.2836%0.363SS..Hα-helixtrans-58.5-41.6-179.8-62.471.7-154.500111.6D1008 K1042 S1094 I1099 L1100D1008-E1096 WeakPolarHBondContact O-CG 3.48Å; K1042-E1096 WeakPolarHBondContact CE-OE1 3.18Å; K1042-E1096 IonicContact NZ-OE1 3.87Å; K1042-E1096 PolarHBondContact NZ-OE1 2.58Å; K1042-E1096 IonicContact NZ-OE2 3.88Å; S1094-E1096 VanDerWaalsContact C-N 3.26Å; S1094-E1096 VanDerWaalsContact CB-OE2 3.26Å; S1094-E1096 WeakPolarHBondContact CB-OE2 3.47Å; S1094-E1096 PolarHBondContact O-N 3.32Å; S1094-E1096 PolarHBondContact OG-N 2.76Å; S1094-E1096 PolarHBondContact OG-OE2 3.44Å; E1096-I1099 PolarHBondContact O-N 3.18Å; E1096-L1100 WeakPolarHBondContact O-CG 3.38Å; E1096-L1100 PolarHBondContact O-N 3.44Å
1097C96.4Very high95.7Very high39 Ų3979.9 Ų79.926%0.26437%0.372SS..Hα-helixtrans-68.8-39.5179.7-153.80000111.6E1093 S1094 W1095 I1099 L1100 K1101E1093-C1097 HydrophobicContact CB-CB 4Å; E1093-C1097 WeakPolarHBondContact OE2-CB 3.32Å; E1093-C1097 PolarHBondContact OE2-SG 3.04Å; S1094-C1097 PolarHBondContact O-N 3.02Å; S1094-C1097 PolarHBondContact OG-N 3.28Å; W1095-C1097 VanDerWaalsContact C-N 3.28Å; W1095-C1097 PolarHBondContact O-N 3.4Å; C1097-I1099 VanDerWaalsContact C-N 3.29Å; C1097-I1099 PolarHBondContact O-N 2.76Å; C1097-L1100 PolarHBondContact O-N 3.13Å; C1097-K1101 WeakPolarHBondContact O-CG 3.44Å; C1097-K1101 PolarHBondContact O-N 3.07Å
1098W97.5Very high95.9Very high44 Ų4481 Ų8117%0.16738%0.384CS..Hα-helixtrans-59.1-41.9172.9-60.1-23.4000111.9I1086 I1087 Y1090 E1093 S1094 W1095 K1101 A1102I1086-W1098 HydrophobicContact CG2-CB 4.03Å; I1086-W1098 HydrophobicContact CG2-CG 4.43Å; I1087-W1098 HydrophobicContact CB-CD2 4.48Å; I1087-W1098 HydrophobicContact CD1-CE3 4.17Å; I1087-W1098 HydrophobicContact CD1-CZ3 4.35Å; I1087-W1098 HydrophobicContact CG1-CD2 3.8Å; I1087-W1098 HydrophobicContact CG1-CE3 3.69Å; I1087-W1098 HydrophobicContact CG1-CG 4.24Å; I1087-W1098 HydrophobicContact CG1-CZ3 4.12Å; I1087-W1098 HydrophobicContact CG2-CH2 3.97Å; I1087-W1098 HydrophobicContact CG2-CZ2 4Å; I1087-W1098 HydrophobicContact CG2-CZ3 4.25Å; Y1090-W1098 PolarHBondContact O-NE1 2.99Å; E1093-W1098 VanDerWaalsContact O-CE2 3.27Å; E1093-W1098 WeakPolarHBondContact O-CZ2 3.38Å; E1093-W1098 PolarHBondContact O-NE1 3.49Å; S1094-W1098 PolarHBondContact O-N 2.98Å; S1094-W1098 VanDerWaalsContact O-N 3.08Å; W1095-W1098 HydrophobicContact CE3-CE3 4.01Å; W1095-W1098 HydrophobicContact CE3-CZ3 4.39Å; W1095-W1098 WeakPolarHBondContact O-CB 3.4Å; W1095-W1098 PolarHBondContact O-N 3.29Å; W1095-W1098 VanDerWaalsContact O-N 3.17Å; W1098-K1101 PolarHBondContact O-N 3.37Å; W1098-A1102 VanDerWaalsContact O-CB 3.32Å; W1098-A1102 WeakPolarHBondContact O-CB 3.32Å; W1098-A1102 PolarHBondContact O-N 3.36Å
1099I98Very high96Very high0 Ų076 Ų760%036%0.361CS..Hα-helixtrans-67.2-43.4179.6-62.5-45.2000111.9I1005 Y1006 L1083 W1095 E1096 C1097 K1101 A1102 Y1103 L1109I1005-I1099 HydrophobicContact CD1-CD1 4.33Å; I1005-I1099 HydrophobicContact CG2-CD1 3.72Å; I1005-I1099 HydrophobicContact CG2-CG1 3.76Å; I1005-I1099 HydrophobicContact CG2-CG2 3.91Å; Y1006-I1099 VanDerWaalsContact O-CG2 3.27Å; Y1006-I1099 WeakPolarHBondContact O-CG2 3.35Å; L1083-I1099 HydrophobicContact CD1-CD1 3.67Å; L1083-I1099 HydrophobicContact CD2-CD1 3.82Å; L1083-I1099 HydrophobicContact CG-CD1 4.41Å; W1095-I1099 HydrophobicContact CD2-CD1 4.38Å; W1095-I1099 HydrophobicContact CD2-CG1 4.17Å; W1095-I1099 HydrophobicContact CH2-CD1 3.93Å; W1095-I1099 HydrophobicContact CZ2-CD1 3.77Å; W1095-I1099 HydrophobicContact CZ2-CG1 4.03Å; W1095-I1099 HydrophobicContact CZ3-CD1 4.3Å; W1095-I1099 WeakPolarHBondContact O-CG1 3.01Å; W1095-I1099 PolarHBondContact O-N 2.97Å; E1096-I1099 PolarHBondContact O-N 3.18Å; C1097-I1099 VanDerWaalsContact C-N 3.29Å; C1097-I1099 PolarHBondContact O-N 2.76Å; I1099-K1101 PolarHBondContact O-N 3.18Å; I1099-A1102 WeakPolarHBondContact O-CB 3.34Å; I1099-A1102 PolarHBondContact O-N 2.95Å; I1099-Y1103 PolarHBondContact O-N 3.29Å; I1099-L1109 HydrophobicContact CD1-CD2 4.1Å; I1099-L1109 HydrophobicContact CG2-CD1 3.65Å
1100L97.3Very high96.2Very high78 Ų7871.9 Ų71.941%0.40835%0.349SS..Hα-helixtrans-60.5-45.6175.2-73.5173.3000111.7R1007 E1096 C1097 A1102 Y1103 E1104R1007-L1100 HydrophobicContact CB-CD2 4.24Å; R1007-L1100 WeakPolarHBondContact O-CD2 3.5Å; E1096-L1100 WeakPolarHBondContact O-CG 3.38Å; E1096-L1100 PolarHBondContact O-N 3.44Å; C1097-L1100 PolarHBondContact O-N 3.13Å; L1100-A1102 VanDerWaalsContact C-N 3.32Å; L1100-A1102 PolarHBondContact O-N 3.27Å; L1100-Y1103 WeakPolarHBondContact O-CB 3.46Å; L1100-Y1103 PolarHBondContact O-N 3.4Å; L1100-E1104 WeakPolarHBondContact O-CG 3.26Å; L1100-E1104 PolarHBondContact O-N 3.35Å
1101K96.8Very high96.4Very high38 Ų3869.3 Ų69.317%0.16534%0.34CS..Hα-helixtrans-65.6-35.1176.6-68.9-173.6-156.6-64.40112.8I1086 Y1090 E1093 C1097 W1098 I1099 Y1103 E1104 K1105I1086-K1101 HydrophobicContact CG2-CB 3.92Å; Y1090-K1101 HydrophobicContact CD1-CD 3.93Å; Y1090-K1101 HydrophobicContact CD2-CD 3.47Å; Y1090-K1101 VanDerWaalsContact CD2-CD 3.47Å; Y1090-K1101 HydrophobicContact CE1-CD 3.91Å; Y1090-K1101 HydrophobicContact CE2-CD 3.45Å; Y1090-K1101 VanDerWaalsContact CE2-CD 3.45Å; Y1090-K1101 HydrophobicContact CG-CD 3.73Å; E1093-K1101 VanDerWaalsContact CD-CE 3.43Å; E1093-K1101 WeakPolarHBondContact OE1-CE 3.38Å; E1093-K1101 IonicContact OE1-NZ 3.89Å; E1093-K1101 WeakPolarHBondContact OE2-CE 3.47Å; E1093-K1101 IonicContact OE2-NZ 2.81Å; E1093-K1101 PolarHBondContact OE2-NZ 3.47Å; C1097-K1101 WeakPolarHBondContact O-CG 3.44Å; C1097-K1101 PolarHBondContact O-N 3.07Å; W1098-K1101 PolarHBondContact O-N 3.37Å; I1099-K1101 PolarHBondContact O-N 3.18Å; K1101-Y1103 VanDerWaalsContact C-N 3.33Å; K1101-E1104 PolarHBondContact O-N 3.4Å; K1101-K1105 WeakPolarHBondContact O-CB 3.37Å; K1101-K1105 WeakPolarHBondContact O-CG 3.4Å; K1101-K1105 PolarHBondContact O-N 2.65Å
1102A97.5Very high96.8Very high0 Ų070 Ų700%034%0.341CS..Hα-helixtrans-62.7-43.1173.600000110.9L1083 I1086 W1098 I1099 L1100 K1105 R1106 I1107 L1109L1083-A1102 HydrophobicContact CD2-CB 3.55Å; I1086-A1102 HydrophobicContact CG1-CB 4.29Å; W1098-A1102 VanDerWaalsContact O-CB 3.32Å; W1098-A1102 WeakPolarHBondContact O-CB 3.32Å; W1098-A1102 PolarHBondContact O-N 3.36Å; I1099-A1102 WeakPolarHBondContact O-CB 3.34Å; I1099-A1102 PolarHBondContact O-N 2.95Å; L1100-A1102 VanDerWaalsContact C-N 3.32Å; L1100-A1102 PolarHBondContact O-N 3.27Å; A1102-K1105 CarbonylContact O-C 3.59Å; A1102-K1105 PolarHBondContact O-N 3.33Å; A1102-R1106 PolarHBondContact O-N 3.36Å; A1102-I1107 HydrophobicContact CB-CB 4.2Å; A1102-I1107 HydrophobicContact CB-CD1 4.38Å; A1102-I1107 WeakPolarHBondContact O-CB 3.48Å; A1102-I1107 PolarHBondContact O-N 3.25Å; A1102-L1109 HydrophobicContact CB-CD2 4.15Å
1103Y97.2Very high97.1Very high131 Ų13161.7 Ų61.751%0.51431%0.305SS..Hα-helixtrans-63-46.9174.7177.3-96.2000112.4R1007 I1099 L1100 K1101 K1105 R1106R1007-Y1103 HydrophobicContact CG-CD2 4.27Å; R1007-Y1103 HydrophobicContact CG-CG 4.31Å; I1099-Y1103 PolarHBondContact O-N 3.29Å; L1100-Y1103 WeakPolarHBondContact O-CB 3.46Å; L1100-Y1103 PolarHBondContact O-N 3.4Å; K1101-Y1103 VanDerWaalsContact C-N 3.33Å; Y1103-K1105 PolarHBondContact O-N 3.35Å; Y1103-R1106 WeakPolarHBondContact O-CA 3.41Å; Y1103-R1106 PolarHBondContact O-N 2.96Å
1104E96.3Very high97.4Very high143 Ų14363.8 Ų63.867%0.66831%0.313SS*.Hα-helixtrans-56.5-34.6175-72.8173.2175.500112.2L1100 K1101 R1106L1100-E1104 WeakPolarHBondContact O-CG 3.26Å; L1100-E1104 PolarHBondContact O-N 3.35Å; K1101-E1104 PolarHBondContact O-N 3.4Å; E1104-R1106 VanDerWaalsContact C-N 3.26Å; E1104-R1106 PolarHBondContact O-N 2.87Å
1105K96.8Very high97.4Very high108 Ų10862.9 Ų62.947%0.4730%0.3SS..THydrogen-bonded Turntrans-84.96.4176.4-73.8170.3175.5-670113.9I1086 K1101 A1102 Y1103 I1107I1086-K1105 HydrophobicContact CD1-CD 3.31Å; K1101-K1105 WeakPolarHBondContact O-CB 3.37Å; K1101-K1105 WeakPolarHBondContact O-CG 3.4Å; K1101-K1105 PolarHBondContact O-N 2.65Å; A1102-K1105 CarbonylContact O-C 3.59Å; A1102-K1105 PolarHBondContact O-N 3.33Å; Y1103-K1105 PolarHBondContact O-N 3.35Å; K1105-I1107 HydrophobicContact CB-CD1 4.26Å; K1105-I1107 HydrophobicContact CB-CG1 4.14Å; K1105-I1107 PolarHBondContact O-N 2.98Å
1106R97.1Very high97.4Very high233 Ų23365 Ų6588%0.87932%0.318SS*.THydrogen-bonded Turntrans57.235.5-179.6-55.4179.5-67.3173.7-1.1112.9A1102 Y1103 E1104A1102-R1106 PolarHBondContact O-N 3.36Å; Y1103-R1106 WeakPolarHBondContact O-CA 3.41Å; Y1103-R1106 PolarHBondContact O-N 2.96Å; E1104-R1106 VanDerWaalsContact C-N 3.26Å; E1104-R1106 PolarHBondContact O-N 2.87Å
1107I97.8Very high97.1Very high42 Ų4262.8 Ų62.822%0.21531%0.309CS..  trans-81.9127173.1-60.1178.2000108.3R1082 I1086 A1102 K1105 L1109R1082-I1107 HydrophobicContact CB-CG2 3.79Å; I1086-I1107 HydrophobicContact CD1-CD1 4.02Å; I1086-I1107 HydrophobicContact CG1-CD1 3.95Å; A1102-I1107 HydrophobicContact CB-CB 4.2Å; A1102-I1107 HydrophobicContact CB-CD1 4.38Å; A1102-I1107 WeakPolarHBondContact O-CB 3.48Å; A1102-I1107 PolarHBondContact O-N 3.25Å; K1105-I1107 HydrophobicContact CB-CD1 4.26Å; K1105-I1107 HydrophobicContact CB-CG1 4.14Å; K1105-I1107 PolarHBondContact O-N 2.98Å; I1107-L1109 PolarHBondContact O-N 3.42Å
1108S98Very high96.7Very high66 Ų6668.5 Ų68.546%0.46233%0.332SS..  trans-67.5122.5178175.70000111.5R1082 S1110R1082-S1108 VanDerWaalsContact CD-O 3.32Å; R1082-S1108 WeakPolarHBondContact CD-O 3.45Å; R1082-S1108 PolarHBondContact NH1-O 3.33Å; R1082-S1108 PolarHBondContact NH1-OG 3.2Å; S1108-S1110 PolarHBondContact OG-O 2.8Å
1109L98.2Very high96.3Very high21 Ų2166.7 Ų66.711%0.1133%0.325CS..  trans-100.419.5180-67.5168.9000113.3I1005 L1083 I1099 A1102 I1107I1005-L1109 HydrophobicContact CB-CB 4.24Å; I1005-L1109 HydrophobicContact CB-CD2 4.44Å; I1005-L1109 PolarHBondContact N-O 2.96Å; I1005-L1109 WeakPolarHBondContact O-CB 3.35Å; L1083-L1109 HydrophobicContact CD2-CD2 3.84Å; I1099-L1109 HydrophobicContact CD1-CD2 4.1Å; I1099-L1109 HydrophobicContact CG2-CD1 3.65Å; A1102-L1109 HydrophobicContact CB-CD2 4.15Å; I1107-L1109 PolarHBondContact O-N 3.42Å
1110S98.5Very high95.6Very high49 Ų4971.2 Ų71.234%0.34335%0.353SS..EExtended strand (participates in β ladder)trans-120133.7172-179.70000109.9V1003 N1004 R1082 S1108V1003-S1110 WeakPolarHBondContact O-CA 3.27Å; N1004-S1110 VanDerWaalsContact OD1-CB 3.25Å; N1004-S1110 WeakPolarHBondContact OD1-CB 3.42Å; N1004-S1110 PolarHBondContact OD1-OG 3.07Å; R1082-S1110 PolarHBondContact NH1-O 3.29Å; S1108-S1110 PolarHBondContact OG-O 2.8Å
1111A98.5Very high95Very high4 Ų468.4 Ų68.43%0.03334%0.343CS..EExtended strand (participates in β ladder)trans-144.6139.1178.600000112.1V1003 K1078 L1079V1003-A1111 PolarHBondContact N-O 2.92Å; V1003-A1111 PolarHBondContact O-N 2.94Å; K1078-A1111 HydrophobicContact CB-CB 4.35Å; K1078-A1111 HydrophobicContact CD-CB 4.23Å; K1078-A1111 HydrophobicContact CG-CB 4.44Å; L1079-A1111 HydrophobicContact CD1-CB 4.1Å; L1079-A1111 HydrophobicContact CD2-CB 3.82Å; L1079-A1111 HydrophobicContact CG-CB 3.61Å
1112T98.5Very high94.5Very high88 Ų8867.7 Ų67.754%0.5434%0.339SS..EExtended strand (participates in β ladder)trans-92.2147.5164.754.60000111A1001 L1002A1001-T1112 CarbonylContact O-C 3.43Å; A1001-T1112 VanDerWaalsContact O-CA 3.24Å; A1001-T1112 WeakPolarHBondContact O-CA 3.36Å; L1002-T1112 HydrophobicContact CD1-CG2 3.96Å
1113G98.2Very high93.8Very high8 Ų870.5 Ų70.58%0.08235%0.354CS..EExtended strand (participates in β ladder)trans-124.4148.7168.100000109.9G1000 A1001 A1071G1000-G1113 CarbonylContact C-O 3.6Å; G1000-G1113 VanDerWaalsContact CA-O 3.31Å; G1000-G1113 WeakPolarHBondContact CA-O 3.3Å; A1001-G1113 PolarHBondContact N-O 2.86Å; A1001-G1113 PolarHBondContact O-N 3.47Å; A1071-G1113 WeakPolarHBondContact O-CA 3.27Å
1114F98.1Very high93.2Very high110 Ų11067.2 Ų67.248%0.48234%0.341SS..EExtended strand (participates in β ladder)trans-146.7135.7-177.5-178.9-98.3000109.7Q998 A999 L1074Q998-F1114 HydrophobicContact CB-CE2 4.15Å; Q998-F1114 HydrophobicContact CB-CZ 3.91Å; Q998-F1114 VanDerWaalsContact OE1-CZ 3.28Å; A999-F1114 WeakPolarHBondContact O-CA 3.47Å; A999-F1114 WeakPolarHBondContact O-CD2 3.38Å; L1074-F1114 WeakPolarHBondContact CD1-O 3.24Å
1115Y96.7Very high92.5Very high42 Ų4269.7 Ų69.717%0.16535%0.349CS..EExtended strand (participates in β ladder)trans-131.1137.1179.2179.9-118.7000111.5Q998 A999 L1067 I1070 P1117Q998-Y1115 VanDerWaalsContact CA-O 3.26Å; Q998-Y1115 WeakPolarHBondContact CA-O 3.38Å; A999-Y1115 PolarHBondContact N-O 3.17Å; A999-Y1115 VanDerWaalsContact N-O 3.1Å; A999-Y1115 PolarHBondContact O-N 3.07Å; L1067-Y1115 HydrophobicContact CD2-CD1 3.71Å; L1067-Y1115 HydrophobicContact CD2-CE1 3.97Å; I1070-Y1115 HydrophobicContact CB-CD1 3.86Å; I1070-Y1115 HydrophobicContact CB-CD2 4.09Å; I1070-Y1115 HydrophobicContact CB-CE1 4.25Å; I1070-Y1115 HydrophobicContact CB-CE2 4.48Å; I1070-Y1115 HydrophobicContact CB-CG 3.75Å; I1070-Y1115 HydrophobicContact CD1-CD1 3.97Å; I1070-Y1115 HydrophobicContact CD1-CD2 4.44Å; I1070-Y1115 HydrophobicContact CD1-CE1 3.42Å; I1070-Y1115 VanDerWaalsContact CD1-CE1 3.42Å; I1070-Y1115 HydrophobicContact CD1-CE2 3.98Å; I1070-Y1115 HydrophobicContact CD1-CG 4.42Å; I1070-Y1115 VanDerWaalsContact CD1-CZ 3.42Å; I1070-Y1115 HydrophobicContact CG1-CD1 4.46Å; I1070-Y1115 HydrophobicContact CG1-CE1 4.37Å; I1070-Y1115 HydrophobicContact CG2-CD1 4.08Å; I1070-Y1115 HydrophobicContact CG2-CD2 3.36Å; I1070-Y1115 HydrophobicContact CG2-CE1 4.45Å; I1070-Y1115 HydrophobicContact CG2-CE2 3.81Å; I1070-Y1115 HydrophobicContact CG2-CG 3.5Å; I1070-Y1115 VanDerWaalsContact CG2-CG 3.5Å; Y1115-P1117 HydrophobicContact CE1-CB 4.18Å; Y1115-P1117 HydrophobicContact CE1-CG 4.18Å
1116S94.4Very high91.5Very high61 Ų6174.1 Ų74.143%0.42736%0.363SS..  trans-144.3106.9173.451.10000109.5
1117P91.8Very high90.4Very high14 Ų1467.4 Ų67.49%0.09134%0.338CS..  trans-67.6149.3177.926.8-34.5000111.9N997 F1063 L1067 Y1115 L1119N997-P1117 HydrophobicContact CB-CG 4Å; N997-P1117 WeakPolarHBondContact O-CD 3.2Å; F1063-P1117 HydrophobicContact CE1-CG 3.81Å; F1063-P1117 HydrophobicContact CZ-CG 3.93Å; L1067-P1117 HydrophobicContact CD2-CG 4.31Å; Y1115-P1117 HydrophobicContact CE1-CB 4.18Å; Y1115-P1117 HydrophobicContact CE1-CG 4.18Å; P1117-L1119 HydrophobicContact CB-CG 4.42Å; P1117-L1119 HydrophobicContact CG-CD1 4.27Å; P1117-L1119 HydrophobicContact CG-CG 4.39Å; P1117-L1119 PolarHBondContact O-N 3Å
1118Q88Confident89Confident159 Ų15974.7 Ų74.774%0.74336%0.363SS*.  trans-78.188.8176.3-63.9-64.8-19.800110.4
1119L87.8Confident87.4Confident5 Ų573.1 Ų73.13%0.02636%0.357CS..  trans-110.4138.9172.9-60175.2000110K994 N997 P1117 K1131K994-L1119 WeakPolarHBondContact CD-O 3.36Å; K994-L1119 VanDerWaalsContact CE-O 3.23Å; K994-L1119 WeakPolarHBondContact CE-O 3.12Å; N997-L1119 HydrophobicContact CB-CD1 4Å; N997-L1119 WeakPolarHBondContact ND2-CD1 3.39Å; P1117-L1119 HydrophobicContact CB-CG 4.42Å; P1117-L1119 HydrophobicContact CG-CD1 4.27Å; P1117-L1119 HydrophobicContact CG-CG 4.39Å; P1117-L1119 PolarHBondContact O-N 3Å; L1119-K1131 HydrophobicContact CD2-CD 4.43Å; L1119-K1131 HydrophobicContact CD2-CG 4.09Å
1120T85Confident86Confident96 Ų9673.2 Ų73.259%0.58936%0.361SS*.  trans-96.6-26.5-176.826.60000112A1130 K1131T1120-A1130 HydrophobicContact CG2-CB 4.22Å; T1120-A1130 WeakPolarHBondContact OG1-CB 3.47Å; T1120-K1131 PolarHBondContact N-O 3.38Å; T1120-K1131 PolarHBondContact OG1-N 3.48Å; T1120-K1131 PolarHBondContact OG1-O 2.85Å
1121G83.4Confident85.4Confident19 Ų1974.5 Ų74.520%0.19636%0.36CS..  trans75.3174.5-179.500000113.1A1130G1121-A1130 VanDerWaalsContact O-CB 3.27Å; G1121-A1130 WeakPolarHBondContact O-CB 3.32Å; G1121-A1130 PolarHBondContact O-N 3.4Å
1122Y86.1Confident84.9Confident22 Ų2274.6 Ų74.69%0.08636%0.36CS..  trans-102.5130.8179.1-173.7-103.7000111.3L680 F857 F929 W1124 R1127 G1129 M1132L680-Y1122 HydrophobicContact CD1-CE2 4.18Å; L680-Y1122 WeakPolarHBondContact CD1-OH 3.41Å; F857-Y1122 AromaticContact CE1-CD1 3.82Å; F857-Y1122 HydrophobicContact CE1-CD1 3.82Å; F857-Y1122 HydrophobicContact CE1-CD2 4.11Å; F857-Y1122 HydrophobicContact CE1-CE1 4.29Å; F857-Y1122 AromaticContact CE1-CG 3.71Å; F857-Y1122 HydrophobicContact CE1-CG 3.71Å; F857-Y1122 AromaticContact CZ-CD1 3.74Å; F857-Y1122 HydrophobicContact CZ-CD1 3.74Å; F857-Y1122 AromaticContact CZ-CG 3.76Å; F857-Y1122 HydrophobicContact CZ-CG 3.76Å; F929-Y1122 HydrophobicContact CB-CD2 3.77Å; F929-Y1122 HydrophobicContact CB-CE2 3.66Å; Y1122-W1124 AromaticContact CD1-CD2 3.73Å; Y1122-W1124 HydrophobicContact CD1-CD2 3.73Å; Y1122-W1124 AromaticContact CD1-CE2 3.82Å; Y1122-W1124 HydrophobicContact CD1-CE3 4.01Å; Y1122-W1124 HydrophobicContact CD1-CG 4.08Å; Y1122-W1124 HydrophobicContact CD1-CH2 4.39Å; Y1122-W1124 HydrophobicContact CD1-CZ2 4.14Å; Y1122-W1124 HydrophobicContact CD1-CZ3 4.33Å; Y1122-W1124 AromaticContact CE1-CD2 3.8Å; Y1122-W1124 HydrophobicContact CE1-CD2 3.8Å; Y1122-W1124 AromaticContact CE1-CE3 3.62Å; Y1122-W1124 HydrophobicContact CE1-CE3 3.62Å; Y1122-W1124 HydrophobicContact CE1-CG 4.29Å; Y1122-W1124 HydrophobicContact CE1-CH2 4.41Å; Y1122-W1124 AromaticContact CE1-CZ3 3.95Å; Y1122-W1124 HydrophobicContact CE1-CZ3 3.95Å; Y1122-R1127 WeakPolarHBondContact OH-CA 3.32Å; Y1122-R1127 PolarHBondContact OH-O 2.61Å; Y1122-G1129 WeakPolarHBondContact CD2-O 3.23Å; Y1122-M1132 PolarHBondContact N-SD 2.96Å
1123D83.9Confident84.6Confident60 Ų6070.5 Ų70.532%0.32134%0.335SS..  trans-97.1102.3174.4-176.1-19.7000110.2K1125 R1126 R1127D1123-K1125 PolarHBondContact O-N 3.42Å; D1123-K1125 VanDerWaalsContact O-N 3.14Å; D1123-K1125 WeakPolarHBondContact OD1-CA 3.24Å; D1123-K1125 WeakPolarHBondContact OD1-CB 3.45Å; D1123-K1125 PolarHBondContact OD1-N 3.39Å; D1123-R1126 HydrophobicContact CB-CB 4.09Å; D1123-R1126 HydrophobicContact CB-CG 4.49Å; D1123-R1126 PolarHBondContact O-N 3.15Å; D1123-R1126 PolarHBondContact OD1-N 3.25Å; D1123-R1126 VanDerWaalsContact OD2-CD 3.24Å; D1123-R1126 WeakPolarHBondContact OD2-CD 3.25Å; D1123-R1126 VanDerWaalsContact OD2-CG 3.3Å; D1123-R1126 WeakPolarHBondContact OD2-CG 3.35Å; D1123-R1126 IonicContact OD2-NE 3.42Å; D1123-R1127 PolarHBondContact O-N 3.27Å
1124W85Confident84.4Confident62 Ų6270.3 Ų70.324%0.23533%0.333CS..THydrogen-bonded Turntrans-59.1-22.2179.2-65.198.8000114.4Y678 Q853 L856 F857 Y1122Y678-W1124 AromaticContact CD1-CD2 3.75Å; Y678-W1124 HydrophobicContact CD1-CD2 3.75Å; Y678-W1124 AromaticContact CD1-CE2 3.96Å; Y678-W1124 AromaticContact CD1-CE3 3.87Å; Y678-W1124 HydrophobicContact CD1-CE3 3.87Å; Y678-W1124 HydrophobicContact CD1-CG 4.24Å; Y678-W1124 HydrophobicContact CD1-CH2 4.44Å; Y678-W1124 HydrophobicContact CD1-CZ2 4.33Å; Y678-W1124 HydrophobicContact CD1-CZ3 4.22Å; Y678-W1124 HydrophobicContact CE1-CD2 4.41Å; Y678-W1124 HydrophobicContact CG-CE3 4.47Å; Y678-W1124 HydrophobicContact CG-CZ3 4.42Å; Q853-W1124 HydrophobicContact CB-CH2 4.25Å; Q853-W1124 HydrophobicContact CB-CZ2 3.72Å; Q853-W1124 HydrophobicContact CG-CH2 4.03Å; Q853-W1124 HydrophobicContact CG-CZ2 3.38Å; L856-W1124 HydrophobicContact CD1-CH2 3.96Å; L856-W1124 HydrophobicContact CD1-CZ3 3.97Å; F857-W1124 HydrophobicContact CE1-CH2 4.18Å; F857-W1124 HydrophobicContact CE1-CZ2 4.3Å; F857-W1124 HydrophobicContact CE2-CH2 4.25Å; F857-W1124 AromaticContact CE2-CZ2 3.84Å; F857-W1124 HydrophobicContact CE2-CZ2 3.84Å; F857-W1124 AromaticContact CZ-CH2 3.75Å; F857-W1124 HydrophobicContact CZ-CH2 3.75Å; F857-W1124 AromaticContact CZ-CZ2 3.45Å; F857-W1124 HydrophobicContact CZ-CZ2 3.45Å; F857-W1124 VanDerWaalsContact CZ-CZ2 3.45Å; Y1122-W1124 AromaticContact CD1-CD2 3.73Å; Y1122-W1124 HydrophobicContact CD1-CD2 3.73Å; Y1122-W1124 AromaticContact CD1-CE2 3.82Å; Y1122-W1124 HydrophobicContact CD1-CE3 4.01Å; Y1122-W1124 HydrophobicContact CD1-CG 4.08Å; Y1122-W1124 HydrophobicContact CD1-CH2 4.39Å; Y1122-W1124 HydrophobicContact CD1-CZ2 4.14Å; Y1122-W1124 HydrophobicContact CD1-CZ3 4.33Å; Y1122-W1124 AromaticContact CE1-CD2 3.8Å; Y1122-W1124 HydrophobicContact CE1-CD2 3.8Å; Y1122-W1124 AromaticContact CE1-CE3 3.62Å; Y1122-W1124 HydrophobicContact CE1-CE3 3.62Å; Y1122-W1124 HydrophobicContact CE1-CG 4.29Å; Y1122-W1124 HydrophobicContact CE1-CH2 4.41Å; Y1122-W1124 AromaticContact CE1-CZ3 3.95Å; Y1122-W1124 HydrophobicContact CE1-CZ3 3.95Å
1125K81.8Confident84.2Confident194 Ų19465.8 Ų65.884%0.84331%0.312SS*.THydrogen-bonded Turntrans-83.6-43.9176.6-65.7-176.1178.2-178.60111.5D1123 R1127D1123-K1125 PolarHBondContact O-N 3.42Å; D1123-K1125 VanDerWaalsContact O-N 3.14Å; D1123-K1125 WeakPolarHBondContact OD1-CA 3.24Å; D1123-K1125 WeakPolarHBondContact OD1-CB 3.45Å; D1123-K1125 PolarHBondContact OD1-N 3.39Å; K1125-R1127 VanDerWaalsContact C-N 3.29Å
1126R75.1Confident84.2Confident201 Ų20164.2 Ų64.276%0.75831%0.306SS*.THydrogen-bonded Turntrans-76.5-17.4-179.9-70.1-178.6177175.1-0.6113.1D1123 R1128D1123-R1126 HydrophobicContact CB-CB 4.09Å; D1123-R1126 HydrophobicContact CB-CG 4.49Å; D1123-R1126 PolarHBondContact O-N 3.15Å; D1123-R1126 PolarHBondContact OD1-N 3.25Å; D1123-R1126 VanDerWaalsContact OD2-CD 3.24Å; D1123-R1126 WeakPolarHBondContact OD2-CD 3.25Å; D1123-R1126 VanDerWaalsContact OD2-CG 3.3Å; D1123-R1126 WeakPolarHBondContact OD2-CG 3.35Å; D1123-R1126 IonicContact OD2-NE 3.42Å; R1126-R1128 PolarHBondContact O-N 3.41Å
1127R74.1Confident84.3Confident93 Ų9361.3 Ų61.335%0.35129%0.286SS..THydrogen-bonded Turntrans54.618.1-177.7-61.1-177.7174.1-159.7-14.2113.9E679 E681 Y1122 D1123 K1125E679-R1127 IonicContact OE1-CZ 2.77Å; E679-R1127 VanDerWaalsContact OE1-CZ 3.31Å; E679-R1127 IonicContact OE1-NH1 3.43Å; E679-R1127 PolarHBondContact OE1-NH1 3.23Å; E679-R1127 VanDerWaalsContact OE1-NH1 3.14Å; E679-R1127 IonicContact OE1-NH2 2.56Å; E679-R1127 PolarHBondContact OE1-NH2 3.21Å; E681-R1127 WeakPolarHBondContact OE1-CD 3.44Å; E681-R1127 IonicContact OE1-CZ 3.28Å; E681-R1127 IonicContact OE1-NE 4Å; E681-R1127 IonicContact OE1-NH1 2.8Å; E681-R1127 PolarHBondContact OE1-NH1 3.11Å; E681-R1127 IonicContact OE2-NH1 3.25Å; E681-R1127 PolarHBondContact OE2-NH1 3.39Å; E681-R1127 VanDerWaalsContact OE2-NH1 3.08Å; Y1122-R1127 WeakPolarHBondContact OH-CA 3.32Å; Y1122-R1127 PolarHBondContact OH-O 2.61Å; D1123-R1127 PolarHBondContact O-N 3.27Å; K1125-R1127 VanDerWaalsContact C-N 3.29Å
1128R68.1Low84.6Confident194 Ų19460.7 Ų60.773%0.73228%0.282SS*.  trans-152.2153.5-178.3-91-165.9173.2-162.8-1.6111.4R1126R1126-R1128 PolarHBondContact O-N 3.41Å
1129G63.4Low85.1Confident33 Ų3353.1 Ų53.134%0.3425%0.247SC..  trans76141.5-171.100000110.6Y1122Y1122-G1129 WeakPolarHBondContact CD2-O 3.23Å
1130A70Confident85.7Confident24 Ų2452.9 Ų52.920%0.19825%0.245CC..  cis-165.1-164.520.400000108.8T1120 G1121 M1132T1120-A1130 HydrophobicContact CG2-CB 4.22Å; T1120-A1130 WeakPolarHBondContact OG1-CB 3.47Å; G1121-A1130 VanDerWaalsContact O-CB 3.27Å; G1121-A1130 WeakPolarHBondContact O-CB 3.32Å; G1121-A1130 PolarHBondContact O-N 3.4Å; A1130-M1132 VanDerWaalsContact C-N 3.3Å; A1130-M1132 PolarHBondContact O-N 2.63Å
1131K85.9Confident86.3Confident75 Ų7548.3 Ų48.333%0.32622%0.217SC..  trans-58.192.7172.4-171177.1178.6-178.20109.6L1119 T1120 F1133 S1134L1119-K1131 HydrophobicContact CD2-CD 4.43Å; L1119-K1131 HydrophobicContact CD2-CG 4.09Å; T1120-K1131 PolarHBondContact N-O 3.38Å; T1120-K1131 PolarHBondContact OG1-N 3.48Å; T1120-K1131 PolarHBondContact OG1-O 2.85Å; K1131-F1133 WeakPolarHBondContact CG-O 3.44Å; K1131-S1134 WeakPolarHBondContact CE-O 3.2Å
1132M87.3Confident87Confident7 Ų747.4 Ų47.43%0.03421%0.208CC..  trans-82.8-47.9-174.5-172.870.7-167.700110.2F857 F929 G992 Y1122 A1130F857-M1132 HydrophobicContact CD2-CE 4.42Å; F857-M1132 HydrophobicContact CE2-CE 3.75Å; F857-M1132 HydrophobicContact CE2-SD 4.46Å; F857-M1132 HydrophobicContact CZ-CE 4.2Å; F857-M1132 HydrophobicContact CZ-SD 4.42Å; F929-M1132 HydrophobicContact CD2-CB 4.2Å; F929-M1132 HydrophobicContact CE2-CB 3.97Å; G992-M1132 WeakPolarHBondContact O-CE 3.5Å; Y1122-M1132 PolarHBondContact N-SD 2.96Å; A1130-M1132 VanDerWaalsContact C-N 3.3Å; A1130-M1132 PolarHBondContact O-N 2.63Å
1133F92.6Very high87.6Confident1 Ų146.4 Ų46.40%0.00420%0.204CC..SBendtrans-106.5149178.5-55.9-64.9000110.1R854 F857 H858 F929 Q931 G988 I989 K1131 Y1135 F1136R854-F1133 VanDerWaalsContact NH1-CE1 3.32Å; F857-F1133 HydrophobicContact CB-CE2 4.18Å; F857-F1133 HydrophobicContact CB-CZ 4.13Å; F857-F1133 HydrophobicContact CD2-CZ 4.4Å; F857-F1133 HydrophobicContact CG-CZ 4.49Å; H858-F1133 AromaticContact CE1-CZ 3.71Å; F929-F1133 HydrophobicContact CE2-CD2 4.19Å; F929-F1133 HydrophobicContact CE2-CE2 4.17Å; F929-F1133 HydrophobicContact CZ-CD2 4.01Å; F929-F1133 AromaticContact CZ-CE2 3.79Å; F929-F1133 HydrophobicContact CZ-CE2 3.79Å; Q931-F1133 PolarHBondContact NE2-O 3.03Å; G988-F1133 VanDerWaalsContact C-CD1 3.46Å; G988-F1133 VanDerWaalsContact CA-CG 3.44Å; G988-F1133 WeakPolarHBondContact O-CD1 3.37Å; I989-F1133 WeakPolarHBondContact O-CA 3.47Å; I989-F1133 WeakPolarHBondContact O-CB 3.46Å; K1131-F1133 WeakPolarHBondContact CG-O 3.44Å; F1133-Y1135 VanDerWaalsContact C-N 3.32Å; F1133-Y1135 PolarHBondContact O-N 2.81Å; F1133-F1136 HydrophobicContact CB-CE1 4.49Å; F1133-F1136 HydrophobicContact CB-CZ 4.36Å; F1133-F1136 AromaticContact CD2-CE1 3.64Å; F1133-F1136 HydrophobicContact CD2-CE1 3.64Å; F1133-F1136 AromaticContact CD2-CZ 3.76Å; F1133-F1136 HydrophobicContact CD2-CZ 3.76Å; F1133-F1136 HydrophobicContact CE2-CE1 4.31Å; F1133-F1136 HydrophobicContact CG-CE1 4.39Å
1134S92.9Very high88.3Confident5 Ų544.2 Ų44.24%0.03519%0.192CC..SBendtrans-63.1-43.9179.1-170.80000111.1I989 K1131I989-S1134 PolarHBondContact O-N 3.49Å; K1131-S1134 WeakPolarHBondContact CE-O 3.2Å
1135Y94.9Very high88.9Confident15 Ų1541.3 Ų41.36%0.05918%0.181CC..EExtended strand (participates in β ladder)trans-161.6-179.9174.856.7-91.6000108.6I989 F1063 D1066 F1133 N1232 Q1234 K1240 G1241I989-Y1135 HydrophobicContact CB-CD2 4.24Å; I989-Y1135 HydrophobicContact CB-CE1 4.46Å; I989-Y1135 HydrophobicContact CB-CE2 3.81Å; I989-Y1135 HydrophobicContact CG1-CD2 4.02Å; I989-Y1135 HydrophobicContact CG1-CE2 3.51Å; I989-Y1135 HydrophobicContact CG2-CE1 4.31Å; I989-Y1135 HydrophobicContact CG2-CE2 4.12Å; I989-Y1135 PolarHBondContact N-O 3.33Å; F1063-Y1135 HydrophobicContact CE2-CE1 4.38Å; D1066-Y1135 WeakPolarHBondContact OD2-CE1 3.37Å; D1066-Y1135 PolarHBondContact OD2-OH 3.31Å; F1133-Y1135 VanDerWaalsContact C-N 3.32Å; F1133-Y1135 PolarHBondContact O-N 2.81Å; Y1135-N1232 VanDerWaalsContact CD1-ND2 3.26Å; Y1135-N1232 WeakPolarHBondContact CD1-ND2 3.4Å; Y1135-N1232 VanDerWaalsContact CE1-ND2 3.27Å; Y1135-N1232 WeakPolarHBondContact CE1-ND2 3.36Å; Y1135-Q1234 HydrophobicContact CD1-CB 3.91Å; Y1135-K1240 HydrophobicContact CD2-CB 4.41Å; Y1135-K1240 HydrophobicContact CD2-CD 4.1Å; Y1135-K1240 HydrophobicContact CD2-CG 3.95Å; Y1135-K1240 HydrophobicContact CE2-CB 3.63Å; Y1135-K1240 HydrophobicContact CE2-CD 4.14Å; Y1135-K1240 HydrophobicContact CE2-CG 3.61Å; Y1135-K1240 WeakPolarHBondContact OH-CA 3.01Å; Y1135-G1241 PolarHBondContact OH-N 2.98Å
1136F96.2Very high89.5Confident8 Ų832.6 Ų32.64%0.03514%0.143CC..EExtended strand (participates in β ladder)trans-116.1140.5174.2-61.5-92.7000111.4T927 F929 Q931 L933 K986 F987 G988 F1133 Y1138 K1240T927-F1136 HydrophobicContact CG2-CZ 4.28Å; F929-F1136 HydrophobicContact CE2-CZ 4.46Å; F929-F1136 HydrophobicContact CZ-CE1 4.35Å; F929-F1136 HydrophobicContact CZ-CZ 4.02Å; Q931-F1136 HydrophobicContact CG-CE2 4.09Å; Q931-F1136 HydrophobicContact CG-CZ 4.33Å; L933-F1136 HydrophobicContact CD2-CD2 3.6Å; L933-F1136 HydrophobicContact CD2-CE2 3.47Å; L933-F1136 VanDerWaalsContact CD2-CE2 3.47Å; L933-F1136 HydrophobicContact CD2-CG 4.24Å; L933-F1136 HydrophobicContact CD2-CZ 3.99Å; K986-F1136 HydrophobicContact CD-CB 4.45Å; K986-F1136 HydrophobicContact CD-CD1 3.72Å; K986-F1136 HydrophobicContact CD-CE1 4.11Å; K986-F1136 HydrophobicContact CD-CG 4.05Å; K986-F1136 HydrophobicContact CG-CB 4.05Å; K986-F1136 HydrophobicContact CG-CD1 3.51Å; K986-F1136 HydrophobicContact CG-CE1 4.24Å; K986-F1136 HydrophobicContact CG-CG 3.98Å; F987-F1136 WeakPolarHBondContact O-CA 3.42Å; G988-F1136 VanDerWaalsContact CA-CD1 3.48Å; F1133-F1136 HydrophobicContact CB-CE1 4.49Å; F1133-F1136 HydrophobicContact CB-CZ 4.36Å; F1133-F1136 AromaticContact CD2-CE1 3.64Å; F1133-F1136 HydrophobicContact CD2-CE1 3.64Å; F1133-F1136 AromaticContact CD2-CZ 3.76Å; F1133-F1136 HydrophobicContact CD2-CZ 3.76Å; F1133-F1136 HydrophobicContact CE2-CE1 4.31Å; F1133-F1136 HydrophobicContact CG-CE1 4.39Å; F1136-Y1138 HydrophobicContact CB-CE1 3.96Å; F1136-Y1138 HydrophobicContact CB-CE2 4.1Å; F1136-K1240 PolarHBondContact O-NZ 2.95Å
1137T97.7Very high90.4Very high0 Ų023.1 Ų23.10%011%0.107CC..EExtended strand (participates in β ladder)trans-95.2130.8168.4-62.70000107.9F987 I989 M1163 D1164 G1241 P1245F987-T1137 PolarHBondContact N-O 2.99Å; F987-T1137 PolarHBondContact O-N 3.19Å; I989-T1137 WeakPolarHBondContact CG1-OG1 3.43Å; T1137-M1163 HydrophobicContact CG2-CE 3.56Å; T1137-D1164 WeakPolarHBondContact CG2-O 3.35Å; T1137-G1241 PolarHBondContact OG1-O 3.1Å; T1137-P1245 HydrophobicContact CG2-CB 3.7Å; T1137-P1245 HydrophobicContact CG2-CG 3.76Å
1138Y98.3Very high91.2Very high2 Ų219.7 Ų19.71%0.00810%0.096CC..EExtended strand (participates in β ladder)trans-114148.9-176.5-56-76.8000110.2K935 N937 I938 T985 K986 F1136 D1164K935-Y1138 WeakPolarHBondContact O-CE2 3.5Å; N937-Y1138 HydrophobicContact CB-CD2 4.22Å; I938-Y1138 HydrophobicContact CB-CD1 3.93Å; I938-Y1138 HydrophobicContact CB-CE1 4.49Å; I938-Y1138 HydrophobicContact CB-CG 4.43Å; I938-Y1138 HydrophobicContact CD1-CD1 4.4Å; T985-Y1138 WeakPolarHBondContact O-CA 3.46Å; K986-Y1138 HydrophobicContact CB-CD1 4.04Å; K986-Y1138 HydrophobicContact CB-CE1 4.07Å; K986-Y1138 HydrophobicContact CD-CE1 3.94Å; K986-Y1138 HydrophobicContact CG-CD1 4.24Å; K986-Y1138 HydrophobicContact CG-CE1 3.83Å; F1136-Y1138 HydrophobicContact CB-CE1 3.96Å; F1136-Y1138 HydrophobicContact CB-CE2 4.1Å; Y1138-D1164 PolarHBondContact O-N 3.5Å
1139G98.3Very high92.2Very high0 Ų010.9 Ų10.90%06%0.064CC..EExtended strand (participates in β ladder)trans-163.2162.8173.500000112.7P984 T985 V1162P984-G1139 CarbonylContact C-O 3.58Å; P984-G1139 WeakPolarHBondContact CA-O 3.38Å; T985-G1139 PolarHBondContact N-O 2.85Å; T985-G1139 PolarHBondContact O-N 3.46Å; T985-G1139 VanDerWaalsContact O-N 3.07Å; G1139-V1162 CarbonylContact C-O 3.6Å; G1139-V1162 WeakPolarHBondContact CA-O 3.45Å
1140V98.9Very high93.5Very high0 Ų09.5 Ų9.50%05%0.049CC..EExtended strand (participates in β ladder)trans-138.4133.5174.6-1780000108.8I938 C941 W942 C945 V982 I983 P984 I1161 V1162I938-V1140 HydrophobicContact CD1-CG2 4.06Å; C941-V1140 HydrophobicContact CB-CB 4.44Å; C941-V1140 HydrophobicContact CB-CG2 3.76Å; W942-V1140 HydrophobicContact CB-CG2 4.19Å; W942-V1140 HydrophobicContact CE3-CG1 3.96Å; W942-V1140 HydrophobicContact CE3-CG2 4.31Å; W942-V1140 HydrophobicContact CZ3-CG1 4.48Å; C945-V1140 HydrophobicContact CB-CB 3.88Å; C945-V1140 HydrophobicContact CB-CG1 3.73Å; V982-V1140 HydrophobicContact CG2-CG1 3.42Å; V982-V1140 VanDerWaalsContact CG2-CG1 3.42Å; I983-V1140 WeakPolarHBondContact O-CA 3.42Å; P984-V1140 HydrophobicContact CB-CG2 4.08Å; V1140-I1161 WeakPolarHBondContact O-CA 3.41Å; V1140-V1162 PolarHBondContact N-O 2.94Å; V1140-V1162 PolarHBondContact O-N 3.45Å
1141G98.4Very high94.5Very high0 Ų08.7 Ų8.70%04%0.042CC..EExtended strand (participates in β ladder)trans-121.4128.1177.400000110.9V982 I983 D1160 S1252V982-G1141 CarbonylContact C-O 3.58Å; V982-G1141 WeakPolarHBondContact CA-O 3.47Å; I983-G1141 PolarHBondContact N-O 2.8Å; I983-G1141 PolarHBondContact O-N 3.34Å; G1141-D1160 CarbonylContact C-O 3.51Å; G1141-D1160 WeakPolarHBondContact CA-O 3.43Å; G1141-S1252 WeakPolarHBondContact O-CB 3.48Å
1142C98.8Very high94.8Very high0 Ų05.1 Ų5.10%03%0.026CC..EExtended strand (participates in β ladder)trans-111.9125.1173.8173.40000109S981 V982 T1159 D1160S981-C1142 CarbonylContact O-C 3.58Å; S981-C1142 VanDerWaalsContact O-CA 3.3Å; S981-C1142 WeakPolarHBondContact O-CA 3.46Å; V982-C1142 HydrophobicContact CB-CB 4.36Å; V982-C1142 HydrophobicContact CG2-CB 4.34Å; C1142-T1159 CarbonylContact O-C 3.53Å; C1142-T1159 WeakPolarHBondContact O-CA 3.23Å; C1142-D1160 HydrophobicContact CB-CB 4.42Å; C1142-D1160 PolarHBondContact N-O 2.83Å; C1142-D1160 PolarHBondContact O-N 2.89Å
1143S98.8Very high95.1Very high0 Ų06.3 Ų6.30%03%0.033CC..EExtended strand (participates in β ladder)trans-130.1143179.1-63.60000111.8I980 S981 R1158 T1159 S1252 A1256I980-S1143 WeakPolarHBondContact CA-O 3.27Å; I980-S1143 WeakPolarHBondContact CG1-O 3.38Å; S981-S1143 PolarHBondContact N-O 3.36Å; S981-S1143 PolarHBondContact O-N 2.96Å; S1143-R1158 WeakPolarHBondContact CA-O 3.35Å; S1143-T1159 PolarHBondContact OG-OG1 2.89Å; S1143-S1252 WeakPolarHBondContact CB-OG 3.39Å; S1143-S1252 PolarHBondContact OG-OG 3.24Å; S1143-A1256 WeakPolarHBondContact O-CB 3.45Å
1144E98.3Very high95.2Very high15 Ų156.9 Ų6.97%0.074%0.036CC..EExtended strand (participates in β ladder)trans-120.2138.6172.7170.9-177.4169.700110.2R954 I958 R978 G979 I980 I1157 R1158R954-E1144 IonicContact CZ-OE2 3.79Å; R954-E1144 VanDerWaalsContact CZ-OE2 3.3Å; R954-E1144 IonicContact NE-OE2 2.7Å; R954-E1144 PolarHBondContact NE-OE2 2.91Å; R954-E1144 IonicContact NH2-OE2 2.79Å; R954-E1144 PolarHBondContact NH2-OE2 3.08Å; I958-E1144 HydrophobicContact CD1-CG 3.78Å; R978-E1144 IonicContact NH1-OE1 2.72Å; G979-E1144 WeakPolarHBondContact O-CA 3.38Å; I980-E1144 HydrophobicContact CG1-CB 4.39Å; E1144-I1157 HydrophobicContact CG-CB 4.08Å; E1144-I1157 HydrophobicContact CG-CD1 4.09Å; E1144-I1157 PolarHBondContact O-N 2.77Å; E1144-R1158 PolarHBondContact N-O 3.27Å
1145V97.6Very high95.1Very high0 Ų07.3 Ų7.30%04%0.038CC..EExtended strand (participates in β ladder)trans-130.8156.9-178.2-58.60000111.5R978 G979 V1155 V1156 V1253 A1256 L1257 A1260R978-V1145 WeakPolarHBondContact CA-O 3.35Å; R978-V1145 WeakPolarHBondContact CB-O 3.43Å; G979-V1145 PolarHBondContact N-O 2.77Å; G979-V1145 VanDerWaalsContact N-O 3.07Å; G979-V1145 PolarHBondContact O-N 2.91Å; V1145-V1155 CarbonylContact C-O 3.58Å; V1145-V1155 WeakPolarHBondContact CA-O 3.21Å; V1145-V1156 HydrophobicContact CG1-CG2 4.41Å; V1145-V1253 HydrophobicContact CG1-CG1 3.71Å; V1145-A1256 HydrophobicContact CB-CB 4.5Å; V1145-A1256 HydrophobicContact CG1-CB 4Å; V1145-A1256 VanDerWaalsContact CG2-C 3.48Å; V1145-A1256 HydrophobicContact CG2-CB 3.82Å; V1145-A1256 WeakPolarHBondContact CG2-O 3.48Å; V1145-L1257 HydrophobicContact CB-CD2 4.09Å; V1145-L1257 HydrophobicContact CG1-CD2 4.29Å; V1145-L1257 HydrophobicContact CG1-CG 4.33Å; V1145-L1257 HydrophobicContact CG2-CD2 3.81Å; V1145-L1257 HydrophobicContact CG2-CG 4.16Å; V1145-A1260 HydrophobicContact CG2-CB 4.38Å
1146E94.5Very high95.1Very high11 Ų116.6 Ų6.65%0.0514%0.035CC..EExtended strand (participates in β ladder)trans-120.9130.1163.5-176.9173.8119.500108.5K976 K977 R978 H1154 V1155 I1157K976-E1146 WeakPolarHBondContact CD-OE1 3.39Å; K976-E1146 IonicContact NZ-OE1 3.35Å; K976-E1146 PolarHBondContact NZ-OE1 3.11Å; K977-E1146 CarbonylContact O-C 3.54Å; K977-E1146 WeakPolarHBondContact O-CA 3.48Å; R978-E1146 HydrophobicContact CG-CB 4Å; R978-E1146 HydrophobicContact CG-CG 4.14Å; R978-E1146 IonicContact CZ-OE2 2.9Å; R978-E1146 IonicContact NE-OE2 3.56Å; R978-E1146 PolarHBondContact NE-OE2 2.75Å; R978-E1146 IonicContact NH2-OE2 3.51Å; R978-E1146 PolarHBondContact NH2-OE2 3.08Å; E1146-H1154 CarbonylContact O-C 3.57Å; E1146-H1154 WeakPolarHBondContact O-CA 3.34Å; E1146-H1154 WeakPolarHBondContact O-CB 3.34Å; E1146-V1155 PolarHBondContact N-O 3.35Å; E1146-V1155 PolarHBondContact O-N 3.16Å; E1146-I1157 HydrophobicContact CB-CD1 3.92Å; E1146-I1157 HydrophobicContact CB-CG1 4.44Å
1147V93.2Very high95.1Very high2 Ų28.1 Ų8.11%0.0124%0.043CC..EExtended strand (participates in β ladder)trans-111.6135.7-179.4172.80000109.6K976 K977 D1153 H1154 L1257 A1260 I1285K976-V1147 VanDerWaalsContact CA-O 3.28Å; K976-V1147 WeakPolarHBondContact CA-O 3.06Å; K977-V1147 PolarHBondContact N-O 2.98Å; K977-V1147 PolarHBondContact O-N 3.43Å; V1147-D1153 WeakPolarHBondContact CA-O 3.47Å; V1147-H1154 HydrophobicContact CG2-CB 4.14Å; V1147-L1257 HydrophobicContact CG2-CD2 3.37Å; V1147-A1260 HydrophobicContact CB-CB 4.27Å; V1147-A1260 HydrophobicContact CG2-CB 3.79Å; V1147-I1285 HydrophobicContact CG1-CG2 3.43Å; V1147-I1285 VanDerWaalsContact CG1-CG2 3.43Å
1148D90.4Very high95Very high21 Ų219.9 Ų9.911%0.1125%0.05CC..EExtended strand (participates in β ladder)trans-86105.9165.6-168.5-54000109.6K480 L1150 T1151 G1152 D1153K480-D1148 WeakPolarHBondContact CE-OD1 3.29Å; K480-D1148 IonicContact NZ-OD1 3.57Å; K480-D1148 PolarHBondContact NZ-OD1 2.79Å; K480-D1148 IonicContact NZ-OD2 3.47Å; K480-D1148 PolarHBondContact NZ-OD2 2.72Å; D1148-L1150 PolarHBondContact O-N 2.77Å; D1148-L1150 WeakPolarHBondContact OD1-CB 3.27Å; D1148-L1150 PolarHBondContact OD1-N 2.78Å; D1148-L1150 VanDerWaalsContact OD1-N 3.08Å; D1148-T1151 PolarHBondContact O-N 3.24Å; D1148-T1151 PolarHBondContact OD1-N 2.74Å; D1148-G1152 VanDerWaalsContact O-CA 3.3Å; D1148-G1152 WeakPolarHBondContact O-CA 3.37Å; D1148-G1152 PolarHBondContact O-N 2.77Å; D1148-D1153 HydrophobicContact CB-CB 4.36Å; D1148-D1153 PolarHBondContact N-O 2.95Å
1149C90.1Very high95Very high10 Ų109.8 Ų9.87%0.0685%0.049CC..THydrogen-bonded Turntrans-69.5-15-174.1-58.30000113L975 R1286L975-C1149 VanDerWaalsContact O-CB 3.25Å; L975-C1149 WeakPolarHBondContact O-CB 3.22Å; L975-C1149 PolarHBondContact O-N 2.87Å; L975-C1149 PolarHBondContact O-SG 2.81Å; C1149-R1286 WeakPolarHBondContact O-CD 3.33Å; C1149-R1286 PolarHBondContact O-NE 3.14Å
1150L90Very high95Very high3 Ų310.1 Ų10.12%0.0165%0.051CC..THydrogen-bonded Turntrans-90-21.5178-76.4-169.3000113.5S476 K480 L975 D1148 R1286 L1293S476-L1150 WeakPolarHBondContact CB-O 3.34Å; S476-L1150 PolarHBondContact OG-O 3.42Å; S476-L1150 VanDerWaalsContact OG-O 3.06Å; K480-L1150 HydrophobicContact CD-CD1 4.32Å; K480-L1150 HydrophobicContact CG-CD1 3.55Å; L975-L1150 HydrophobicContact CB-CG 4.35Å; L975-L1150 HydrophobicContact CD1-CD1 3.39Å; L975-L1150 HydrophobicContact CD1-CG 4.06Å; L975-L1150 HydrophobicContact CD2-CD1 3.68Å; L975-L1150 HydrophobicContact CD2-CD2 3.8Å; L975-L1150 HydrophobicContact CD2-CG 3.55Å; L975-L1150 HydrophobicContact CG-CD1 3.99Å; L975-L1150 HydrophobicContact CG-CG 4.14Å; D1148-L1150 PolarHBondContact O-N 2.77Å; D1148-L1150 WeakPolarHBondContact OD1-CB 3.27Å; D1148-L1150 PolarHBondContact OD1-N 2.78Å; D1148-L1150 VanDerWaalsContact OD1-N 3.08Å; L1150-R1286 VanDerWaalsContact O-CD 3.26Å; L1150-R1286 WeakPolarHBondContact O-CD 3.38Å; L1150-R1286 PolarHBondContact O-NE 2.67Å; L1150-L1293 HydrophobicContact CD2-CD1 4.01Å
1151T91.3Very high94.9Very high8 Ų810.2 Ų10.25%0.0495%0.052CC..THydrogen-bonded Turntrans-122.9-17.1179.8710000114Q387 Y469 L473 K480 D1148 D1153Q387-T1151 PolarHBondContact OE1-OG1 3.1Å; Y469-T1151 WeakPolarHBondContact CE2-O 3.38Å; Y469-T1151 PolarHBondContact OH-O 3.11Å; L473-T1151 HydrophobicContact CD2-CG2 4.18Å; K480-T1151 VanDerWaalsContact NZ-CG2 3.32Å; D1148-T1151 PolarHBondContact O-N 3.24Å; D1148-T1151 PolarHBondContact OD1-N 2.74Å; T1151-D1153 PolarHBondContact O-N 3Å; T1151-D1153 PolarHBondContact OG1-N 3.35Å
1152G93.3Very high94.9Very high0 Ų010.3 Ų10.30%05%0.052CC..  trans75.84.9-172.800000114D1148 C1282D1148-G1152 VanDerWaalsContact O-CA 3.3Å; D1148-G1152 WeakPolarHBondContact O-CA 3.37Å; D1148-G1152 PolarHBondContact O-N 2.77Å; G1152-C1282 WeakPolarHBondContact CA-O 3.34Å; G1152-C1282 VanDerWaalsContact O-CA 3.27Å; G1152-C1282 WeakPolarHBondContact O-CA 3.46Å; G1152-C1282 WeakPolarHBondContact O-CB 3.26Å
1153D92.6Very high94.8Very high31 Ų3110.3 Ų10.317%0.1665%0.052CC..  trans-63.5155170.5-172.439.7000110.9R391 V1147 D1148 T1151R391-D1153 WeakPolarHBondContact CD-OD2 3.32Å; R391-D1153 WeakPolarHBondContact CG-OD1 3.26Å; R391-D1153 IonicContact NH1-OD2 3.2Å; V1147-D1153 WeakPolarHBondContact CA-O 3.47Å; D1148-D1153 HydrophobicContact CB-CB 4.36Å; D1148-D1153 PolarHBondContact N-O 2.95Å; T1151-D1153 PolarHBondContact O-N 3Å; T1151-D1153 PolarHBondContact OG1-N 3.35Å
1154H94.1Very high94.7Very high14 Ų1410.3 Ų10.37%0.0655%0.052CC..EExtended strand (participates in β ladder)trans-146.3159.5177.870.8-78.3000113.8R391 E1146 V1147 Y1186 L1257R391-H1154 PolarHBondContact NH1-O 3.07Å; E1146-H1154 CarbonylContact O-C 3.57Å; E1146-H1154 WeakPolarHBondContact O-CA 3.34Å; E1146-H1154 WeakPolarHBondContact O-CB 3.34Å; V1147-H1154 HydrophobicContact CG2-CB 4.14Å; H1154-Y1186 AromaticContact NE2-CE2 3.47Å; H1154-Y1186 WeakPolarHBondContact NE2-CE2 3.44Å; H1154-Y1186 AromaticContact NE2-CZ 3.76Å; H1154-Y1186 PolarHBondContact NE2-OH 2.74Å; H1154-Y1186 VanDerWaalsContact NE2-OH 3.15Å; H1154-L1257 HydrophobicContact CB-CD2 3.62Å
1155V92Very high94.5Very high13 Ų139.6 Ų9.68%0.0795%0.049CC..EExtended strand (participates in β ladder)trans-126135.5174.3-163.80000108.3F501 V1145 E1146 I1157 R1220F501-V1155 HydrophobicContact CE1-CG2 3.78Å; F501-V1155 HydrophobicContact CZ-CG2 4.49Å; V1145-V1155 CarbonylContact C-O 3.58Å; V1145-V1155 WeakPolarHBondContact CA-O 3.21Å; E1146-V1155 PolarHBondContact N-O 3.35Å; E1146-V1155 PolarHBondContact O-N 3.16Å; V1155-I1157 PolarHBondContact O-N 2.89Å; V1155-R1220 HydrophobicContact CG1-CG 4.3Å
1156V95.2Very high94.3Very high1 Ų110 Ų101%0.0065%0.053CC..EExtended strand (participates in β ladder)trans-86.6106.9165.6-169.40000108.4V1145 Y1186 P1219 R1220 V1253V1145-V1156 HydrophobicContact CG1-CG2 4.41Å; V1156-Y1186 HydrophobicContact CG2-CD2 4.45Å; V1156-Y1186 HydrophobicContact CG2-CE2 3.79Å; V1156-P1219 HydrophobicContact CB-CB 4.38Å; V1156-P1219 HydrophobicContact CB-CG 4.46Å; V1156-P1219 HydrophobicContact CG1-CB 3.79Å; V1156-P1219 HydrophobicContact CG1-CG 3.83Å; V1156-P1219 WeakPolarHBondContact O-CA 3.47Å; V1156-R1220 PolarHBondContact O-N 3.25Å; V1156-V1253 HydrophobicContact CG1-CG2 4.29Å; V1156-V1253 HydrophobicContact CG2-CG1 3.7Å; V1156-V1253 HydrophobicContact CG2-CG2 4.31Å
1157I94.9Very high94.2Very high40 Ų4011 Ų1121%0.2056%0.063CC..EExtended strand (participates in β ladder)trans-71.4-52.6-176.9-66.7173.3000109.4R978 E1144 E1146 V1155 R1220 Q1221R978-I1157 HydrophobicContact CG-CD1 4.4Å; E1144-I1157 HydrophobicContact CG-CB 4.08Å; E1144-I1157 HydrophobicContact CG-CD1 4.09Å; E1144-I1157 PolarHBondContact O-N 2.77Å; E1146-I1157 HydrophobicContact CB-CD1 3.92Å; E1146-I1157 HydrophobicContact CB-CG1 4.44Å; V1155-I1157 PolarHBondContact O-N 2.89Å; I1157-R1220 WeakPolarHBondContact O-CB 3.46Å; I1157-R1220 PolarHBondContact O-N 2.79Å; I1157-Q1221 PolarHBondContact O-N 2.93Å
1158R96.6Very high94.1Very high36 Ų3611 Ų1114%0.1366%0.063CC..EExtended strand (participates in β ladder)trans-149.6140.7-174.2175.1176.1173.8165.9-3.4110.8R948 S1143 E1144 D1160 Q1221R948-R1158 PolarHBondContact O-NH2 2.92Å; R948-R1158 VanDerWaalsContact O-NH2 3.1Å; S1143-R1158 WeakPolarHBondContact CA-O 3.35Å; E1144-R1158 PolarHBondContact N-O 3.27Å; R1158-D1160 IonicContact CZ-OD1 3.85Å; R1158-D1160 IonicContact CZ-OD2 3.46Å; R1158-D1160 IonicContact NE-OD1 3.25Å; R1158-D1160 PolarHBondContact NE-OD1 2.67Å; R1158-D1160 VanDerWaalsContact NE-OD1 3.15Å; R1158-D1160 IonicContact NE-OD2 3.67Å; R1158-D1160 PolarHBondContact NE-OD2 2.92Å; R1158-D1160 IonicContact NH2-OD1 3.84Å; R1158-D1160 PolarHBondContact NH2-OD1 2.88Å; R1158-D1160 IonicContact NH2-OD2 3.96Å; R1158-Q1221 CarbonylContact C-O 3.57Å; R1158-Q1221 VanDerWaalsContact CA-O 3.28Å; R1158-Q1221 WeakPolarHBondContact CA-O 3.41Å; R1158-Q1221 HydrophobicContact CB-CB 4.13Å; R1158-Q1221 VanDerWaalsContact CD-OE1 3.27Å; R1158-Q1221 HydrophobicContact CG-CB 4.02Å; R1158-Q1221 HydrophobicContact CG-CG 4.22Å
1159T97.9Very high94.1Very high0 Ų010.4 Ų10.40%06%0.06CC..EExtended strand (participates in β ladder)trans-131.3134.4168.3-700000110.6C1142 S1143 I1161 F1182 P1219 Q1221 F1222 N1223C1142-T1159 CarbonylContact O-C 3.53Å; C1142-T1159 WeakPolarHBondContact O-CA 3.23Å; S1143-T1159 PolarHBondContact OG-OG1 2.89Å; T1159-I1161 HydrophobicContact CG2-CD1 4.22Å; T1159-I1161 HydrophobicContact CG2-CG1 3.91Å; T1159-F1182 HydrophobicContact CG2-CD2 4.4Å; T1159-F1182 HydrophobicContact CG2-CE1 3.97Å; T1159-F1182 HydrophobicContact CG2-CE2 3.68Å; T1159-F1182 HydrophobicContact CG2-CZ 3.45Å; T1159-F1182 VanDerWaalsContact CG2-CZ 3.45Å; T1159-P1219 HydrophobicContact CG2-CG 4.48Å; T1159-P1219 WeakPolarHBondContact OG1-CG 2.7Å; T1159-Q1221 PolarHBondContact N-O 2.85Å; T1159-F1222 HydrophobicContact CG2-CD2 4.06Å; T1159-F1222 HydrophobicContact CG2-CE2 3.88Å; T1159-N1223 PolarHBondContact O-N 3.01Å
1160D98.2Very high94.1Very high7 Ų710 Ų104%0.0376%0.057CC..EExtended strand (participates in β ladder)trans-122124.1174.7-56.5-91.9000109.5S949 R954 G1141 C1142 R1158 N1223S949-D1160 WeakPolarHBondContact CB-OD2 3.33Å; R954-D1160 IonicContact CZ-OD2 2.85Å; R954-D1160 IonicContact NH1-OD2 3.77Å; R954-D1160 PolarHBondContact NH1-OD2 2.89Å; G1141-D1160 CarbonylContact C-O 3.51Å; G1141-D1160 WeakPolarHBondContact CA-O 3.43Å; C1142-D1160 HydrophobicContact CB-CB 4.42Å; C1142-D1160 PolarHBondContact N-O 2.83Å; C1142-D1160 PolarHBondContact O-N 2.89Å; R1158-D1160 IonicContact CZ-OD1 3.85Å; R1158-D1160 IonicContact CZ-OD2 3.46Å; R1158-D1160 IonicContact NE-OD1 3.25Å; R1158-D1160 PolarHBondContact NE-OD1 2.67Å; R1158-D1160 VanDerWaalsContact NE-OD1 3.15Å; R1158-D1160 IonicContact NE-OD2 3.67Å; R1158-D1160 PolarHBondContact NE-OD2 2.92Å; R1158-D1160 IonicContact NH2-OD1 3.84Å; R1158-D1160 PolarHBondContact NH2-OD1 2.88Å; R1158-D1160 IonicContact NH2-OD2 3.96Å; D1160-N1223 CarbonylContact C-O 3.5Å; D1160-N1223 WeakPolarHBondContact CA-O 3.35Å; D1160-N1223 PolarHBondContact OD1-ND2 2.84Å
1161I97.6Very high94.1Very high2 Ų210.2 Ų10.21%0.016%0.058CC..EExtended strand (participates in β ladder)trans-119.4132.5179.3-61.4176.7000109.8V1140 T1159 M1163 I1178 F1182 F1222 N1223 V1224 T1225 L1249V1140-I1161 WeakPolarHBondContact O-CA 3.41Å; T1159-I1161 HydrophobicContact CG2-CD1 4.22Å; T1159-I1161 HydrophobicContact CG2-CG1 3.91Å; I1161-M1163 HydrophobicContact CG2-CB 4.5Å; I1161-I1178 HydrophobicContact CD1-CG2 4.03Å; I1161-I1178 HydrophobicContact CG2-CG2 3.87Å; I1161-F1182 HydrophobicContact CD1-CB 3.87Å; I1161-F1182 HydrophobicContact CD1-CD2 3.54Å; I1161-F1182 HydrophobicContact CD1-CE2 4.24Å; I1161-F1182 HydrophobicContact CD1-CG 3.73Å; I1161-F1182 HydrophobicContact CG1-CD2 4.45Å; I1161-F1222 HydrophobicContact CD1-CE2 3.77Å; I1161-F1222 HydrophobicContact CD1-CZ 4.32Å; I1161-F1222 HydrophobicContact CG1-CE2 4.46Å; I1161-N1223 PolarHBondContact N-O 3.2Å; I1161-V1224 HydrophobicContact CB-CG2 4.43Å; I1161-T1225 PolarHBondContact O-N 3.49Å; I1161-L1249 HydrophobicContact CG2-CD1 3.71Å
1162V97.9Very high93.8Very high2 Ų210.2 Ų10.21%0.0126%0.059CC..EExtended strand (participates in β ladder)trans-116.1121.4165.3-179.40000108.4C941 E944 C945 G1139 V1140 T1225 L1227C941-V1162 HydrophobicContact CB-CG1 4.33Å; E944-V1162 HydrophobicContact CB-CG1 4.33Å; E944-V1162 HydrophobicContact CB-CG2 4.37Å; E944-V1162 HydrophobicContact CG-CG1 4.36Å; E944-V1162 HydrophobicContact CG-CG2 4.21Å; C945-V1162 HydrophobicContact CB-CB 4.18Å; C945-V1162 HydrophobicContact CB-CG2 3.75Å; G1139-V1162 CarbonylContact C-O 3.6Å; G1139-V1162 WeakPolarHBondContact CA-O 3.45Å; V1140-V1162 PolarHBondContact N-O 2.94Å; V1140-V1162 PolarHBondContact O-N 3.45Å; V1162-T1225 CarbonylContact C-O 3.6Å; V1162-T1225 WeakPolarHBondContact CA-O 3.42Å; V1162-L1227 HydrophobicContact CG1-CB 4.47Å; V1162-L1227 HydrophobicContact CG1-CD1 4.31Å
1163M97.1Very high93.7Very high0 Ų010.9 Ų10.90%06%0.063CC..EExtended strand (participates in β ladder)trans-122.6130.3-177-15476.8-163.500111.8T985 T1137 I1161 V1165 I1178 T1225 L1226 L1227 V1242 P1245 P1246 L1249T985-M1163 HydrophobicContact CG2-CE 4.26Å; T1137-M1163 HydrophobicContact CG2-CE 3.56Å; I1161-M1163 HydrophobicContact CG2-CB 4.5Å; M1163-V1165 HydrophobicContact CB-CG1 4.26Å; M1163-V1165 HydrophobicContact CG-CG1 3.96Å; M1163-V1165 PolarHBondContact O-N 3.04Å; M1163-I1178 HydrophobicContact CB-CD1 3.63Å; M1163-I1178 HydrophobicContact CB-CG1 4.32Å; M1163-I1178 HydrophobicContact CG-CD1 3.93Å; M1163-I1178 HydrophobicContact CG-CG1 4.17Å; M1163-T1225 PolarHBondContact N-O 2.75Å; M1163-L1226 WeakPolarHBondContact O-CA 3.43Å; M1163-L1227 PolarHBondContact O-N 2.87Å; M1163-V1242 HydrophobicContact CG-CG2 4.43Å; M1163-P1245 HydrophobicContact CE-CB 3.57Å; M1163-P1246 HydrophobicContact CE-CB 4.4Å; M1163-P1246 HydrophobicContact CE-CG 3.92Å; M1163-P1246 HydrophobicContact SD-CB 4.19Å; M1163-P1246 HydrophobicContact SD-CG 4.05Å; M1163-L1249 HydrophobicContact SD-CD1 3.96Å
1164D96.8Very high93.7Very high0 Ų09.5 Ų9.50%06%0.055CC..EExtended strand (participates in β ladder)trans-86.298.8170175.815.1000110.4N937 T1137 Y1138 G1166 L1227 S1230 K1240N937-D1164 HydrophobicContact CB-CB 4.44Å; N937-D1164 WeakPolarHBondContact CB-OD2 3.41Å; N937-D1164 PolarHBondContact ND2-OD2 3.07Å; T1137-D1164 WeakPolarHBondContact CG2-O 3.35Å; Y1138-D1164 PolarHBondContact O-N 3.5Å; D1164-G1166 PolarHBondContact OD1-N 2.96Å; D1164-G1166 VanDerWaalsContact OD1-N 3.1Å; D1164-L1227 HydrophobicContact CB-CB 4.27Å; D1164-L1227 HydrophobicContact CB-CD2 4.06Å; D1164-S1230 WeakPolarHBondContact OD1-CB 3.49Å; D1164-S1230 PolarHBondContact OD1-OG 2.95Å; D1164-K1240 IonicContact OD1-NZ 3.55Å; D1164-K1240 IonicContact OD2-NZ 3.26Å; D1164-K1240 PolarHBondContact OD2-NZ 2.85Å
1165V94.3Very high93.5Very high1 Ų19.3 Ų9.31%0.0066%0.055CC..  trans-104.912.7177.4-590000113.1M1163 I1178 L1226 K1240 V1242M1163-V1165 HydrophobicContact CB-CG1 4.26Å; M1163-V1165 HydrophobicContact CG-CG1 3.96Å; M1163-V1165 PolarHBondContact O-N 3.04Å; V1165-I1178 HydrophobicContact CG1-CD1 4.29Å; V1165-L1226 HydrophobicContact CG1-CD2 4.19Å; V1165-L1226 HydrophobicContact CG2-CB 4.17Å; V1165-L1226 HydrophobicContact CG2-CD1 3.96Å; V1165-L1226 HydrophobicContact CG2-CD2 3.85Å; V1165-L1226 HydrophobicContact CG2-CG 4.2Å; V1165-K1240 PolarHBondContact O-N 2.7Å; V1165-V1242 HydrophobicContact CG1-CB 4.05Å; V1165-V1242 HydrophobicContact CG1-CG2 3.62Å
1166G93.2Very high93.5Very high7 Ų79 Ų97%0.0725%0.054CC..BIsolated β-bridgetrans58.6-144.9-170.200000113.1D1164 S1168 S1230D1164-G1166 PolarHBondContact OD1-N 2.96Å; D1164-G1166 VanDerWaalsContact OD1-N 3.1Å; G1166-S1168 PolarHBondContact O-N 2.83Å; G1166-S1230 VanDerWaalsContact CA-O 3.31Å; G1166-S1230 WeakPolarHBondContact CA-O 3.2Å; G1166-S1230 WeakPolarHBondContact CA-OG 2.87Å
1167A91.5Very high93.4Very high32 Ų329.7 Ų9.726%0.2646%0.058SC..SBendtrans-81.992169.200000109.3L1169 S1238 S1239A1167-L1169 PolarHBondContact O-N 2.86Å; A1167-S1238 PolarHBondContact N-O 2.81Å; A1167-S1239 VanDerWaalsContact O-CA 3.23Å; A1167-S1239 WeakPolarHBondContact O-CA 3.29Å; A1167-S1239 WeakPolarHBondContact O-CB 3.18Å; A1167-S1239 PolarHBondContact O-N 2.89Å
1168S90.5Very high93.5Very high2 Ų27.8 Ų7.81%0.0145%0.048CC..  trans-50.4133.8179.7175.70000112G1166 N1170 P1171 D1174G1166-S1168 PolarHBondContact O-N 2.83Å; S1168-N1170 VanDerWaalsContact C-N 3.31Å; S1168-N1170 PolarHBondContact OG-N 2.84Å; S1168-N1170 PolarHBondContact OG-O 3.03Å; S1168-P1171 WeakPolarHBondContact OG-CA 3.25Å; S1168-P1171 VanDerWaalsContact OG-N 3.11Å; S1168-D1174 VanDerWaalsContact CB-OD2 3.31Å; S1168-D1174 WeakPolarHBondContact CB-OD2 2.96Å; S1168-D1174 PolarHBondContact OG-OD2 3.41Å
1169L90.2Very high93.3Very high10 Ų106.2 Ų6.25%0.0524%0.042CC..SBendtrans-70.7-31.9171.7-65.7176.9000111.8K1027 Q1030 A1167 V1236 F1237K1027-L1169 HydrophobicContact CB-CD1 4.2Å; K1027-L1169 HydrophobicContact CD-CD1 4.24Å; K1027-L1169 HydrophobicContact CG-CB 4.3Å; K1027-L1169 HydrophobicContact CG-CD1 4.27Å; Q1030-L1169 PolarHBondContact NE2-O 2.83Å; A1167-L1169 PolarHBondContact O-N 2.86Å; L1169-V1236 HydrophobicContact CD1-CG1 3.73Å; L1169-V1236 HydrophobicContact CD2-CG1 4.24Å; L1169-V1236 HydrophobicContact CG-CG1 4.4Å; L1169-F1237 HydrophobicContact CD2-CB 4.09Å; L1169-F1237 HydrophobicContact CD2-CD2 3.91Å
1170N91.2Very high93.1Very high0 Ų06.2 Ų6.20%04%0.042CC..  trans-155.698.5-179.2-172-44.6000108.6H522 Q1030 S1168 A1172 I1173 D1174H522-N1170 PolarHBondContact O-ND2 2.77Å; Q1030-N1170 PolarHBondContact OE1-ND2 2.81Å; S1168-N1170 VanDerWaalsContact C-N 3.31Å; S1168-N1170 PolarHBondContact OG-N 2.84Å; S1168-N1170 PolarHBondContact OG-O 3.03Å; N1170-A1172 VanDerWaalsContact C-N 3.26Å; N1170-A1172 PolarHBondContact O-N 3.36Å; N1170-A1172 PolarHBondContact OD1-N 2.86Å; N1170-I1173 HydrophobicContact CB-CB 4.12Å; N1170-I1173 HydrophobicContact CB-CD1 3.97Å; N1170-I1173 HydrophobicContact CB-CG1 4.22Å; N1170-I1173 WeakPolarHBondContact ND2-CD1 3.21Å; N1170-I1173 PolarHBondContact O-N 2.82Å; N1170-I1173 PolarHBondContact OD1-N 3.25Å; N1170-I1173 VanDerWaalsContact OD1-N 3.12Å; N1170-D1174 PolarHBondContact O-N 3.1Å
1171P89.2Confident93.1Very high8 Ų85.9 Ų5.95%0.0524%0.04CC..Hα-helixtrans-59.4-35.6-175.7-27.535.2000113.3S1168 D1174 I1175 L1226S1168-P1171 WeakPolarHBondContact OG-CA 3.25Å; S1168-P1171 VanDerWaalsContact OG-N 3.11Å; P1171-D1174 PolarHBondContact O-N 2.48Å; P1171-I1175 WeakPolarHBondContact O-CB 3.44Å; P1171-I1175 WeakPolarHBondContact O-CD1 3.31Å; P1171-I1175 WeakPolarHBondContact O-CG1 3.39Å; P1171-I1175 PolarHBondContact O-N 2.93Å; P1171-L1226 HydrophobicContact CB-CD1 4.14Å
1172A86.2Confident93.1Very high8 Ų85.8 Ų5.87%0.0664%0.04CC..Hα-helixtrans-65.2-43.4178.900000112.4H70 N1170 G1176H70-A1172 VanDerWaalsContact CE1-CB 3.44Å; H70-A1172 WeakPolarHBondContact CE1-CB 3.44Å; H70-A1172 VanDerWaalsContact NE2-CB 3.34Å; H70-A1172 WeakPolarHBondContact NE2-CB 3.49Å; N1170-A1172 VanDerWaalsContact C-N 3.26Å; N1170-A1172 PolarHBondContact O-N 3.36Å; N1170-A1172 PolarHBondContact OD1-N 2.86Å; A1172-G1176 PolarHBondContact O-N 2.92Å
1173I90.9Very high93Very high15 Ų155.9 Ų5.98%0.0774%0.04CC..Hα-helixtrans-65.4-45.6175-68172.8000110.4Q1022 T1026 N1170 G1176 Q1177Q1022-I1173 WeakPolarHBondContact O-CG2 3.47Å; T1026-I1173 HydrophobicContact CG2-CD1 3.89Å; N1170-I1173 HydrophobicContact CB-CB 4.12Å; N1170-I1173 HydrophobicContact CB-CD1 3.97Å; N1170-I1173 HydrophobicContact CB-CG1 4.22Å; N1170-I1173 WeakPolarHBondContact ND2-CD1 3.21Å; N1170-I1173 PolarHBondContact O-N 2.82Å; N1170-I1173 PolarHBondContact OD1-N 3.25Å; N1170-I1173 VanDerWaalsContact OD1-N 3.12Å; I1173-G1176 PolarHBondContact O-N 2.97Å; I1173-Q1177 HydrophobicContact CG2-CG 4.45Å; I1173-Q1177 WeakPolarHBondContact O-CG 3.42Å; I1173-Q1177 PolarHBondContact O-N 3.09Å
1174D92.1Very high92.9Very high2 Ų25.9 Ų5.91%0.0114%0.04CC..Hα-helixtrans-67.5-38.7-176.1-70.2-16.4000112.2K1027 S1168 N1170 P1171 Q1177 I1178 V1242K1027-D1174 WeakPolarHBondContact CE-OD1 3.5Å; K1027-D1174 IonicContact NZ-OD1 3.55Å; K1027-D1174 PolarHBondContact NZ-OD1 2.77Å; S1168-D1174 VanDerWaalsContact CB-OD2 3.31Å; S1168-D1174 WeakPolarHBondContact CB-OD2 2.96Å; S1168-D1174 PolarHBondContact OG-OD2 3.41Å; N1170-D1174 PolarHBondContact O-N 3.1Å; P1171-D1174 PolarHBondContact O-N 2.48Å; D1174-Q1177 WeakPolarHBondContact O-CB 3.37Å; D1174-Q1177 PolarHBondContact O-N 2.91Å; D1174-I1178 VanDerWaalsContact O-CG1 3.31Å; D1174-I1178 WeakPolarHBondContact O-CG1 3.25Å; D1174-I1178 PolarHBondContact O-N 2.52Å; D1174-V1242 HydrophobicContact CB-CG1 4.02Å; D1174-V1242 WeakPolarHBondContact OD1-CG1 3.43Å
1175I90.9Very high93Very high9 Ų95.9 Ų5.95%0.0464%0.04CC..Hα-helixtrans-61.6-46.9171.1-70.7166.3000110.2R120 I177 P1171 Q1177 I1178 E1179 V1224 L1226R120-I1175 VanDerWaalsContact NH2-CG2 3.34Å; I177-I1175 HydrophobicContact CD1-CD1 3.83Å; P1171-I1175 WeakPolarHBondContact O-CB 3.44Å; P1171-I1175 WeakPolarHBondContact O-CD1 3.31Å; P1171-I1175 WeakPolarHBondContact O-CG1 3.39Å; P1171-I1175 PolarHBondContact O-N 2.93Å; I1175-Q1177 PolarHBondContact O-N 3.4Å; I1175-I1178 WeakPolarHBondContact O-CB 3.4Å; I1175-I1178 PolarHBondContact O-N 3.29Å; I1175-E1179 HydrophobicContact CG2-CG 4.34Å; I1175-E1179 WeakPolarHBondContact O-CG 3.45Å; I1175-E1179 PolarHBondContact O-N 2.87Å; I1175-V1224 HydrophobicContact CG1-CG1 4.4Å; I1175-V1224 HydrophobicContact CG2-CB 4.42Å; I1175-V1224 HydrophobicContact CG2-CG1 4.36Å; I1175-L1226 HydrophobicContact CD1-CD1 4.47Å; I1175-L1226 HydrophobicContact CG1-CD1 4.26Å; I1175-L1226 HydrophobicContact CG1-CD2 4.19Å; I1175-L1226 HydrophobicContact CG1-CG 4.29Å
1176G90.7Very high93.1Very high7 Ų75.9 Ų5.97%0.0724%0.04CC..Hα-helixtrans-58.4-36.9176.100000112.8Q73 A1172 I1173 G1180Q73-G1176 PolarHBondContact NE2-O 3.1Å; Q73-G1176 VanDerWaalsContact NE2-O 3.11Å; A1172-G1176 PolarHBondContact O-N 2.92Å; I1173-G1176 PolarHBondContact O-N 2.97Å; G1176-G1180 PolarHBondContact O-N 3.25Å
1177Q93.8Very high93.2Very high16 Ų165.6 Ų5.68%0.0754%0.037CC..Hα-helixtrans-66.3-40.2174.4-71.5-64.6-72.700112.5R886 I1173 D1174 I1175 A1181 V1242R886-Q1177 PolarHBondContact NH2-O 2.87Å; I1173-Q1177 HydrophobicContact CG2-CG 4.45Å; I1173-Q1177 WeakPolarHBondContact O-CG 3.42Å; I1173-Q1177 PolarHBondContact O-N 3.09Å; D1174-Q1177 WeakPolarHBondContact O-CB 3.37Å; D1174-Q1177 PolarHBondContact O-N 2.91Å; I1175-Q1177 PolarHBondContact O-N 3.4Å; Q1177-A1181 WeakPolarHBondContact O-CB 3.38Å; Q1177-A1181 PolarHBondContact O-N 3.39Å; Q1177-V1242 HydrophobicContact CB-CG1 3.86Å; Q1177-V1242 HydrophobicContact CG-CG1 4.28Å
1178I96.1Very high93.5Very high0 Ų04 Ų40%02%0.024CC..Hα-helixtrans-62.3-47.8176.3-67.2161000110.6I1161 M1163 V1165 D1174 I1175 A1181 F1182 V1224 L1226 V1242 P1246I1161-I1178 HydrophobicContact CD1-CG2 4.03Å; I1161-I1178 HydrophobicContact CG2-CG2 3.87Å; M1163-I1178 HydrophobicContact CB-CD1 3.63Å; M1163-I1178 HydrophobicContact CB-CG1 4.32Å; M1163-I1178 HydrophobicContact CG-CD1 3.93Å; M1163-I1178 HydrophobicContact CG-CG1 4.17Å; V1165-I1178 HydrophobicContact CG1-CD1 4.29Å; D1174-I1178 VanDerWaalsContact O-CG1 3.31Å; D1174-I1178 WeakPolarHBondContact O-CG1 3.25Å; D1174-I1178 PolarHBondContact O-N 2.52Å; I1175-I1178 WeakPolarHBondContact O-CB 3.4Å; I1175-I1178 PolarHBondContact O-N 3.29Å; I1178-A1181 PolarHBondContact O-N 2.82Å; I1178-F1182 VanDerWaalsContact O-CB 3.3Å; I1178-F1182 WeakPolarHBondContact O-CB 3.35Å; I1178-F1182 PolarHBondContact O-N 3.25Å; I1178-V1224 HydrophobicContact CB-CG1 4.23Å; I1178-V1224 HydrophobicContact CD1-CG1 3.94Å; I1178-V1224 HydrophobicContact CG2-CG1 3.79Å; I1178-V1224 HydrophobicContact CG2-CG2 4.23Å; I1178-L1226 HydrophobicContact CD1-CD2 3.55Å; I1178-V1242 HydrophobicContact CD1-CG2 4.06Å; I1178-V1242 HydrophobicContact CG1-CG2 3.54Å; I1178-P1246 HydrophobicContact CB-CB 4.34Å; I1178-P1246 HydrophobicContact CB-CG 4.24Å; I1178-P1246 HydrophobicContact CG1-CB 4.34Å; I1178-P1246 HydrophobicContact CG1-CG 3.78Å; I1178-P1246 HydrophobicContact CG2-CB 4.09Å; I1178-P1246 HydrophobicContact CG2-CG 4.46Å
1179E93.8Very high93.8Very high3 Ų34 Ų41%0.0142%0.023CC..Hα-helixtrans-64.2-49.5-178.2-68.5173.9150.700111.7T117 R120 I1175 A1181 F1182 V1183 F1222 V1224T117-E1179 VanDerWaalsContact O-CB 3.29Å; T117-E1179 WeakPolarHBondContact O-CB 3.44Å; R120-E1179 IonicContact CZ-OE1 2.78Å; R120-E1179 IonicContact CZ-OE2 2.92Å; R120-E1179 IonicContact NE-OE1 3.48Å; R120-E1179 PolarHBondContact NE-OE1 3.28Å; R120-E1179 IonicContact NE-OE2 3.71Å; R120-E1179 IonicContact NH2-OE1 3.25Å; R120-E1179 PolarHBondContact NH2-OE1 3.19Å; R120-E1179 IonicContact NH2-OE2 2.89Å; R120-E1179 PolarHBondContact NH2-OE2 3.24Å; I1175-E1179 HydrophobicContact CG2-CG 4.34Å; I1175-E1179 WeakPolarHBondContact O-CG 3.45Å; I1175-E1179 PolarHBondContact O-N 2.87Å; E1179-A1181 PolarHBondContact O-N 3.48Å; E1179-F1182 PolarHBondContact O-N 3.32Å; E1179-V1183 WeakPolarHBondContact O-CG2 3.5Å; E1179-V1183 PolarHBondContact O-N 2.93Å; E1179-F1222 HydrophobicContact CB-CE1 4.13Å; E1179-F1222 HydrophobicContact CB-CZ 4.33Å; E1179-F1222 HydrophobicContact CG-CE1 4.08Å; E1179-F1222 HydrophobicContact CG-CZ 4.16Å; E1179-V1224 HydrophobicContact CG-CG2 3.86Å
1180G93.6Very high94.1Very high0 Ų03.5 Ų3.50%02%0.021CC..Hα-helixtrans-63.7-41.7176.900000113.6M115 C116 G1176 V1183 Q1184M115-G1180 CarbonylContact O-C 3.19Å; M115-G1180 VanDerWaalsContact O-CA 3.25Å; M115-G1180 WeakPolarHBondContact O-CA 3.3Å; C116-G1180 WeakPolarHBondContact O-CA 3.48Å; G1176-G1180 PolarHBondContact O-N 3.25Å; G1180-V1183 PolarHBondContact O-N 2.78Å; G1180-Q1184 WeakPolarHBondContact O-CB 3.4Å; G1180-Q1184 PolarHBondContact O-N 3.07Å
1181A96.7Very high94.2Very high0 Ų03.8 Ų3.80%02%0.023CC..Hα-helixtrans-61.2-45.7175.500000111.2Q1177 I1178 E1179 Q1184 G1185 P1246 L1247Q1177-A1181 WeakPolarHBondContact O-CB 3.38Å; Q1177-A1181 PolarHBondContact O-N 3.39Å; I1178-A1181 PolarHBondContact O-N 2.82Å; E1179-A1181 PolarHBondContact O-N 3.48Å; A1181-Q1184 WeakPolarHBondContact O-CB 3.48Å; A1181-Q1184 PolarHBondContact O-N 3.02Å; A1181-G1185 PolarHBondContact O-N 3.37Å; A1181-P1246 HydrophobicContact CB-CB 3.87Å; A1181-P1246 HydrophobicContact CB-CG 4.2Å; A1181-L1247 HydrophobicContact CB-CB 4.23Å; A1181-L1247 WeakPolarHBondContact O-CA 3.33Å
1182F97.4Very high94.5Very high0 Ų03.4 Ų3.40%02%0.02CC..Hα-helixtrans-61.3-47.5178.6175.1-90.5000111.3T1159 I1161 I1178 E1179 Q1184 G1185 Y1186 P1219 F1222 L1249 V1253T1159-F1182 HydrophobicContact CG2-CD2 4.4Å; T1159-F1182 HydrophobicContact CG2-CE1 3.97Å; T1159-F1182 HydrophobicContact CG2-CE2 3.68Å; T1159-F1182 HydrophobicContact CG2-CZ 3.45Å; T1159-F1182 VanDerWaalsContact CG2-CZ 3.45Å; I1161-F1182 HydrophobicContact CD1-CB 3.87Å; I1161-F1182 HydrophobicContact CD1-CD2 3.54Å; I1161-F1182 HydrophobicContact CD1-CE2 4.24Å; I1161-F1182 HydrophobicContact CD1-CG 3.73Å; I1161-F1182 HydrophobicContact CG1-CD2 4.45Å; I1178-F1182 VanDerWaalsContact O-CB 3.3Å; I1178-F1182 WeakPolarHBondContact O-CB 3.35Å; I1178-F1182 PolarHBondContact O-N 3.25Å; E1179-F1182 PolarHBondContact O-N 3.32Å; F1182-Q1184 VanDerWaalsContact C-N 3.35Å; F1182-Q1184 PolarHBondContact O-N 3.31Å; F1182-G1185 CarbonylContact O-C 3.56Å; F1182-G1185 WeakPolarHBondContact O-CA 3.21Å; F1182-G1185 PolarHBondContact O-N 2.85Å; F1182-G1185 VanDerWaalsContact O-N 3.13Å; F1182-Y1186 WeakPolarHBondContact O-CB 3.39Å; F1182-Y1186 PolarHBondContact O-N 3.38Å; F1182-P1219 HydrophobicContact CE1-CG 3.79Å; F1182-P1219 HydrophobicContact CZ-CG 4.47Å; F1182-F1222 HydrophobicContact CB-CZ 4.08Å; F1182-F1222 HydrophobicContact CD1-CE1 4.2Å; F1182-F1222 AromaticContact CD1-CE2 3.88Å; F1182-F1222 HydrophobicContact CD1-CE2 3.88Å; F1182-F1222 AromaticContact CD1-CZ 3.41Å; F1182-F1222 HydrophobicContact CD1-CZ 3.41Å; F1182-F1222 VanDerWaalsContact CD1-CZ 3.41Å; F1182-F1222 HydrophobicContact CE1-CE2 4.26Å; F1182-F1222 HydrophobicContact CE1-CZ 4.11Å; F1182-F1222 HydrophobicContact CG-CE2 4.27Å; F1182-F1222 AromaticContact CG-CZ 3.91Å; F1182-F1222 HydrophobicContact CG-CZ 3.91Å; F1182-L1249 HydrophobicContact CD2-CB 4.1Å; F1182-L1249 WeakPolarHBondContact CE2-O 3.47Å; F1182-V1253 HydrophobicContact CE1-CG2 4.46Å; F1182-V1253 HydrophobicContact CE2-CG2 4.49Å; F1182-V1253 HydrophobicContact CZ-CG2 3.7Å
1183V96.1Very high94.9Very high3 Ų34.3 Ų4.32%0.0182%0.023CC..Hα-helixtrans-65.4-38.8179.5174.60000111.3Y119 E1179 G1180 G1185 Y1186 G1187 P1213 I1218 F1222Y119-V1183 HydrophobicContact CE2-CG1 4.27Å; E1179-V1183 WeakPolarHBondContact O-CG2 3.5Å; E1179-V1183 PolarHBondContact O-N 2.93Å; G1180-V1183 PolarHBondContact O-N 2.78Å; V1183-G1185 VanDerWaalsContact C-N 3.31Å; V1183-G1185 PolarHBondContact O-N 3.03Å; V1183-Y1186 WeakPolarHBondContact O-CB 3.39Å; V1183-Y1186 PolarHBondContact O-N 3.41Å; V1183-G1187 PolarHBondContact O-N 3.27Å; V1183-P1213 HydrophobicContact CG1-CB 3.77Å; V1183-P1213 HydrophobicContact CG1-CG 4.08Å; V1183-I1218 HydrophobicContact CG2-CG2 4.21Å; V1183-F1222 HydrophobicContact CG2-CE1 4.12Å
1184Q96.3Very high94.9Very high0 Ų05.5 Ų5.50%03%0.029CC..Hα-helixtrans-61.2-37.9171.5176158.634.300112.9M115 Q705 F885 G1180 A1181 F1182 L1188 L1247M115-Q1184 HydrophobicContact CB-CB 4.29Å; M115-Q1184 HydrophobicContact CE-CB 4.34Å; M115-Q1184 HydrophobicContact CE-CG 3.56Å; M115-Q1184 HydrophobicContact CG-CB 4.38Å; M115-Q1184 HydrophobicContact CG-CG 4.46Å; M115-Q1184 VanDerWaalsContact SD-CA 3.52Å; M115-Q1184 HydrophobicContact SD-CB 3.25Å; M115-Q1184 WeakPolarHBondContact SD-CB 3.36Å; M115-Q1184 HydrophobicContact SD-CG 3.15Å; M115-Q1184 WeakPolarHBondContact SD-CG 3.43Å; Q705-Q1184 PolarHBondContact NE2-O 3.42Å; F885-Q1184 HydrophobicContact CE1-CG 4.09Å; G1180-Q1184 WeakPolarHBondContact O-CB 3.4Å; G1180-Q1184 PolarHBondContact O-N 3.07Å; A1181-Q1184 WeakPolarHBondContact O-CB 3.48Å; A1181-Q1184 PolarHBondContact O-N 3.02Å; F1182-Q1184 VanDerWaalsContact C-N 3.35Å; F1182-Q1184 PolarHBondContact O-N 3.31Å; Q1184-L1188 WeakPolarHBondContact O-CB 3.3Å; Q1184-L1188 PolarHBondContact O-N 3.32Å; Q1184-L1188 VanDerWaalsContact O-N 3.14Å; Q1184-L1247 HydrophobicContact CB-CD1 4.46Å; Q1184-L1247 HydrophobicContact CG-CD1 3.76Å
1185G97.2Very high94.8Very high0 Ų08.2 Ų8.20%04%0.04CC..Hα-helixtrans-69.1-44.2172.400000112.1A1181 F1182 V1183 G1187 L1188 F1189 L1247A1181-G1185 PolarHBondContact O-N 3.37Å; F1182-G1185 CarbonylContact O-C 3.56Å; F1182-G1185 WeakPolarHBondContact O-CA 3.21Å; F1182-G1185 PolarHBondContact O-N 2.85Å; F1182-G1185 VanDerWaalsContact O-N 3.13Å; V1183-G1185 VanDerWaalsContact C-N 3.31Å; V1183-G1185 PolarHBondContact O-N 3.03Å; G1185-G1187 VanDerWaalsContact C-N 3.34Å; G1185-G1187 PolarHBondContact O-N 3.45Å; G1185-L1188 VanDerWaalsContact O-CB 3.3Å; G1185-L1188 WeakPolarHBondContact O-CB 3.49Å; G1185-L1188 PolarHBondContact O-N 3.03Å; G1185-F1189 WeakPolarHBondContact O-CD2 3.39Å; G1185-F1189 PolarHBondContact O-N 2.79Å; G1185-L1247 WeakPolarHBondContact CA-O 3.28Å
1186Y96.8Very high94.7Very high2 Ų210.4 Ų10.41%0.0085%0.054CC..Hα-helixtrans-56.2-50.7175.8163.1-124.9000110.4H1154 V1156 F1182 V1183 L1188 F1189 T1190 I1191 P1213 D1217 V1253H1154-Y1186 AromaticContact NE2-CE2 3.47Å; H1154-Y1186 WeakPolarHBondContact NE2-CE2 3.44Å; H1154-Y1186 AromaticContact NE2-CZ 3.76Å; H1154-Y1186 PolarHBondContact NE2-OH 2.74Å; H1154-Y1186 VanDerWaalsContact NE2-OH 3.15Å; V1156-Y1186 HydrophobicContact CG2-CD2 4.45Å; V1156-Y1186 HydrophobicContact CG2-CE2 3.79Å; F1182-Y1186 WeakPolarHBondContact O-CB 3.39Å; F1182-Y1186 PolarHBondContact O-N 3.38Å; V1183-Y1186 WeakPolarHBondContact O-CB 3.39Å; V1183-Y1186 PolarHBondContact O-N 3.41Å; Y1186-L1188 PolarHBondContact O-N 3.38Å; Y1186-F1189 PolarHBondContact O-N 3.14Å; Y1186-F1189 VanDerWaalsContact O-N 3.15Å; Y1186-T1190 HydrophobicContact CD2-CG2 3.79Å; Y1186-T1190 VanDerWaalsContact CD2-OG1 3.23Å; Y1186-T1190 WeakPolarHBondContact CD2-OG1 3.15Å; Y1186-T1190 HydrophobicContact CE2-CG2 3.82Å; Y1186-T1190 WeakPolarHBondContact CE2-OG1 3.27Å; Y1186-T1190 PolarHBondContact O-N 2.88Å; Y1186-T1190 PolarHBondContact O-OG1 2.97Å; Y1186-I1191 HydrophobicContact CE1-CD1 3.84Å; Y1186-P1213 HydrophobicContact CD1-CB 4.01Å; Y1186-P1213 HydrophobicContact CD1-CG 3.83Å; Y1186-P1213 HydrophobicContact CE1-CB 4.07Å; Y1186-P1213 HydrophobicContact CE1-CG 4.18Å; Y1186-D1217 HydrophobicContact CE1-CB 3.77Å; Y1186-D1217 WeakPolarHBondContact CE1-O 3.26Å; Y1186-D1217 PolarHBondContact OH-O 3.1Å; Y1186-V1253 HydrophobicContact CD2-CB 3.92Å; Y1186-V1253 HydrophobicContact CD2-CG1 3.68Å; Y1186-V1253 HydrophobicContact CD2-CG2 4Å; Y1186-V1253 HydrophobicContact CE2-CB 4.42Å; Y1186-V1253 HydrophobicContact CE2-CG1 3.66Å
1187G95.5Very high94.6Very high0 Ų010.2 Ų10.20%05%0.051CC..Hα-helixtrans-52.6-51.4173.700000112.6V1183 G1185 F1189 T1190 I1191 E1192V1183-G1187 PolarHBondContact O-N 3.27Å; G1185-G1187 VanDerWaalsContact C-N 3.34Å; G1185-G1187 PolarHBondContact O-N 3.45Å; G1187-F1189 VanDerWaalsContact C-N 3.29Å; G1187-F1189 PolarHBondContact O-N 2.89Å; G1187-T1190 PolarHBondContact O-N 3.22Å; G1187-I1191 PolarHBondContact O-N 3.28Å; G1187-E1192 VanDerWaalsContact CA-OE1 3.31Å; G1187-E1192 WeakPolarHBondContact CA-OE1 3.36Å; G1187-E1192 WeakPolarHBondContact O-CB 3.21Å; G1187-E1192 PolarHBondContact O-N 3.36Å
1188L97Very high94.1Very high0 Ų014.2 Ų14.20%08%0.079CC..Hα-helixtrans-52.6-43.1176.8178.751.4000113.8F702 Q705 Q1184 G1185 Y1186 E1192 L1247 S1278F702-L1188 HydrophobicContact CE1-CD1 3.66Å; F702-L1188 HydrophobicContact CE1-CD2 3.89Å; F702-L1188 HydrophobicContact CE1-CG 3.95Å; F702-L1188 HydrophobicContact CZ-CD1 4.09Å; F702-L1188 HydrophobicContact CZ-CD2 3.53Å; F702-L1188 HydrophobicContact CZ-CG 3.84Å; Q705-L1188 HydrophobicContact CB-CD1 3.68Å; Q705-L1188 HydrophobicContact CG-CD1 3.93Å; Q1184-L1188 WeakPolarHBondContact O-CB 3.3Å; Q1184-L1188 PolarHBondContact O-N 3.32Å; Q1184-L1188 VanDerWaalsContact O-N 3.14Å; G1185-L1188 VanDerWaalsContact O-CB 3.3Å; G1185-L1188 WeakPolarHBondContact O-CB 3.49Å; G1185-L1188 PolarHBondContact O-N 3.03Å; Y1186-L1188 PolarHBondContact O-N 3.38Å; L1188-E1192 PolarHBondContact N-OE1 2.98Å; L1188-L1247 HydrophobicContact CD2-CD2 4.01Å; L1188-S1278 PolarHBondContact O-OG 2.85Å
1189F98.1Very high93.6Very high0 Ų016.7 Ų16.70%010%0.096CC..Hα-helixtrans-89.4-12.7-173.9-63.7-68.4000113.9F702 P891 L895 G1185 Y1186 G1187 F1248 S1251 F1254 P1279 A1280F702-F1189 HydrophobicContact CD2-CE1 4.41Å; F702-F1189 HydrophobicContact CE2-CD1 4.37Å; F702-F1189 AromaticContact CE2-CE1 3.48Å; F702-F1189 HydrophobicContact CE2-CE1 3.48Å; F702-F1189 VanDerWaalsContact CE2-CE1 3.48Å; F702-F1189 HydrophobicContact CE2-CZ 4.09Å; F702-F1189 AromaticContact CZ-CE1 3.85Å; F702-F1189 HydrophobicContact CZ-CE1 3.85Å; F702-F1189 HydrophobicContact CZ-CZ 4.25Å; P891-F1189 HydrophobicContact CB-CZ 4.38Å; L895-F1189 HydrophobicContact CD1-CD1 4.44Å; L895-F1189 HydrophobicContact CD1-CE1 4.1Å; L895-F1189 HydrophobicContact CD2-CE1 4.42Å; G1185-F1189 WeakPolarHBondContact O-CD2 3.39Å; G1185-F1189 PolarHBondContact O-N 2.79Å; Y1186-F1189 PolarHBondContact O-N 3.14Å; Y1186-F1189 VanDerWaalsContact O-N 3.15Å; G1187-F1189 VanDerWaalsContact C-N 3.29Å; G1187-F1189 PolarHBondContact O-N 2.89Å; F1189-F1248 HydrophobicContact CE2-CD2 4.42Å; F1189-F1248 AromaticContact CZ-CD2 3.85Å; F1189-F1248 HydrophobicContact CZ-CD2 3.85Å; F1189-F1248 HydrophobicContact CZ-CE2 4.04Å; F1189-S1251 VanDerWaalsContact CD2-N 3.3Å; F1189-F1254 HydrophobicContact CB-CB 3.79Å; F1189-F1254 HydrophobicContact CB-CD2 4.23Å; F1189-F1254 HydrophobicContact CB-CG 4.29Å; F1189-F1254 HydrophobicContact CG-CB 4.42Å; F1189-F1254 VanDerWaalsContact O-CD2 3.29Å; F1189-F1254 WeakPolarHBondContact O-CD2 3.15Å; F1189-P1279 CarbonylContact O-C 3.5Å; F1189-P1279 WeakPolarHBondContact O-CA 3.46Å; F1189-A1280 PolarHBondContact O-N 3.48Å
1190T96.7Very high93.3Very high1 Ų116.5 Ų16.51%0.00610%0.095CC..Hα-helixtrans-132.5-44-171.765.90000114.8Y1186 G1187 V1253 L1257 A1280 T1281Y1186-T1190 HydrophobicContact CD2-CG2 3.79Å; Y1186-T1190 VanDerWaalsContact CD2-OG1 3.23Å; Y1186-T1190 WeakPolarHBondContact CD2-OG1 3.15Å; Y1186-T1190 HydrophobicContact CE2-CG2 3.82Å; Y1186-T1190 WeakPolarHBondContact CE2-OG1 3.27Å; Y1186-T1190 PolarHBondContact O-N 2.88Å; Y1186-T1190 PolarHBondContact O-OG1 2.97Å; G1187-T1190 PolarHBondContact O-N 3.22Å; T1190-V1253 HydrophobicContact CG2-CG1 4.14Å; T1190-L1257 HydrophobicContact CG2-CD1 3.59Å; T1190-A1280 CarbonylContact O-C 3.58Å; T1190-A1280 VanDerWaalsContact O-C 3.25Å; T1190-A1280 VanDerWaalsContact O-O 3.12Å; T1190-T1281 VanDerWaalsContact O-CA 3.29Å; T1190-T1281 WeakPolarHBondContact O-CA 3.43Å; T1190-T1281 PolarHBondContact O-N 3.33Å
1191I93.9Very high93.3Very high6 Ų618.9 Ų18.93%0.03111%0.108CC..THydrogen-bonded Turntrans-111.3-44.1-167.2-61162.4000112Q389 Y1186 G1187 E1193 K1211 P1213 D1217Q389-I1191 HydrophobicContact CG-CG2 4.43Å; Q389-I1191 PolarHBondContact NE2-O 2.92Å; Y1186-I1191 HydrophobicContact CE1-CD1 3.84Å; G1187-I1191 PolarHBondContact O-N 3.28Å; I1191-E1193 PolarHBondContact O-N 2.87Å; I1191-K1211 HydrophobicContact CG2-CB 3.92Å; I1191-K1211 WeakPolarHBondContact CG2-O 3.2Å; I1191-P1213 HydrophobicContact CD1-CB 4.45Å; I1191-P1213 HydrophobicContact CD1-CG 4.27Å; I1191-D1217 HydrophobicContact CD1-CB 4.1Å
1192E94.7Very high93Very high0 Ų019.2 Ų19.20%011%0.109CC..  trans-74.4110.9-168.6-75.9-179.5-113.700112.1Q705 G1187 L1188 Y1210 K1211 I1212 P1279Q705-E1192 WeakPolarHBondContact CG-OE2 3.35Å; Q705-E1192 VanDerWaalsContact NE2-CD 3.27Å; Q705-E1192 PolarHBondContact NE2-OE1 3.02Å; Q705-E1192 PolarHBondContact NE2-OE2 3.31Å; G1187-E1192 VanDerWaalsContact CA-OE1 3.31Å; G1187-E1192 WeakPolarHBondContact CA-OE1 3.36Å; G1187-E1192 WeakPolarHBondContact O-CB 3.21Å; G1187-E1192 PolarHBondContact O-N 3.36Å; L1188-E1192 PolarHBondContact N-OE1 2.98Å; E1192-Y1210 HydrophobicContact CB-CE2 4.29Å; E1192-Y1210 WeakPolarHBondContact CB-OH 3.28Å; E1192-Y1210 HydrophobicContact CG-CE1 4.14Å; E1192-Y1210 PolarHBondContact OE2-OH 2.98Å; E1192-K1211 WeakPolarHBondContact CA-O 3.33Å; E1192-K1211 VanDerWaalsContact CG-O 3.22Å; E1192-K1211 WeakPolarHBondContact CG-O 3.43Å; E1192-I1212 HydrophobicContact CG-CB 4.28Å; E1192-I1212 HydrophobicContact CG-CG2 3.91Å; E1192-P1279 VanDerWaalsContact O-CG 3.27Å; E1192-P1279 WeakPolarHBondContact O-CG 3.48Å
1193E93.7Very high92.7Very high27 Ų2725.8 Ų25.813%0.12614%0.135CC..  trans-130.7125.6-178.6-169.9171.3-120.900111.9I1191 K1195 P1279 T1281 K1284I1191-E1193 PolarHBondContact O-N 2.87Å; E1193-K1195 WeakPolarHBondContact OE2-CE 3.31Å; E1193-P1279 HydrophobicContact CB-CG 3.91Å; E1193-P1279 HydrophobicContact CG-CG 4.12Å; E1193-T1281 HydrophobicContact CB-CG2 4.23Å; E1193-K1284 IonicContact OE1-NZ 3.55Å; E1193-K1284 PolarHBondContact OE1-NZ 2.9Å
1194M91.7Very high92.4Very high39 Ų3925.8 Ų25.819%0.19214%0.135CC..  trans-85.4127.2170.7-67.8-61.6-75.300110.4E706 M807 T812 I1202 T1204 Y1210E706-M1194 HydrophobicContact CB-SD 4.26Å; M807-M1194 HydrophobicContact CE-SD 4.47Å; T812-M1194 HydrophobicContact CG2-CE 3.89Å; T812-M1194 HydrophobicContact CG2-CG 4.3Å; T812-M1194 HydrophobicContact CG2-SD 4.43Å; M1194-I1202 HydrophobicContact CE-CG2 4.08Å; M1194-T1204 PolarHBondContact SD-OG1 2.89Å; M1194-Y1210 HydrophobicContact CG-CE2 3.98Å; M1194-Y1210 HydrophobicContact SD-CD2 3.54Å; M1194-Y1210 VanDerWaalsContact SD-CD2 3.54Å; M1194-Y1210 HydrophobicContact SD-CE2 3.43Å; M1194-Y1210 WeakPolarHBondContact SD-CE2 3.23Å
1195K90.3Very high92.1Very high60 Ų6029.7 Ų29.726%0.26115%0.149SC..  trans-111.8123.8177.7-60.5-177.5-179.8179.10110.1E1193 Y1203 T1204E1193-K1195 WeakPolarHBondContact OE2-CE 3.31Å; K1195-Y1203 PolarHBondContact O-N 2.85Å; K1195-T1204 HydrophobicContact CB-CG2 4.01Å; K1195-T1204 HydrophobicContact CG-CG2 4.19Å; K1195-T1204 PolarHBondContact N-OG1 2.99Å
1196V89.3Confident91.7Very high54 Ų5430.1 Ų30.133%0.32715%0.154SC..BIsolated β-bridgetrans-130.1137.7-176.6-171.30000109.5L879 I1201 I1202L879-V1196 HydrophobicContact CD2-CG1 3.7Å; V1196-I1201 CarbonylContact C-O 3.56Å; V1196-I1201 WeakPolarHBondContact CA-O 3.5Å; V1196-I1202 HydrophobicContact CG2-CG1 4.34Å
1197S87.8Confident91.1Very high3 Ų332.8 Ų32.82%0.02117%0.171CC..  trans-71.2160.5174.880.70000111.7S1199 G1200 I1201 Y1203S1197-S1199 PolarHBondContact O-N 3.08Å; S1197-S1199 PolarHBondContact OG-N 3.05Å; S1197-S1199 PolarHBondContact OG-OG 2.89Å; S1197-G1200 PolarHBondContact O-N 3.48Å; S1197-G1200 PolarHBondContact OG-N 3.39Å; S1197-I1201 PolarHBondContact N-O 3.45Å; S1197-I1201 WeakPolarHBondContact OG-CB 3.35Å; S1197-I1201 PolarHBondContact OG-N 3.15Å; S1197-Y1203 WeakPolarHBondContact CB-OH 3.36Å
1198P82.6Confident90.4Very high101 Ų10134.6 Ų34.666%0.65619%0.191SC*.THydrogen-bonded Turntrans-56.6-28.5170.1-26.235.8000113.9G1200P1198-G1200 VanDerWaalsContact C-N 3.3Å; P1198-G1200 PolarHBondContact O-N 3.43Å
1199S85.8Confident89.9Confident51 Ų5137.7 Ų37.736%0.35721%0.21SC..THydrogen-bonded Turntrans-82.93176.5560000114.6G557 C640 S1197G557-S1199 WeakPolarHBondContact CA-O 3.47Å; C640-S1199 PolarHBondContact SG-O 3.28Å; C640-S1199 VanDerWaalsContact SG-O 3.35Å; S1197-S1199 PolarHBondContact O-N 3.08Å; S1197-S1199 PolarHBondContact OG-N 3.05Å; S1197-S1199 PolarHBondContact OG-OG 2.89Å
1200G88.6Confident89.6Confident0 Ų037.8 Ų37.80%021%0.21CC..SBendtrans87.58.4178.800000115.1F609 S1197 P1198 I1202F609-G1200 VanDerWaalsContact CB-O 3.26Å; F609-G1200 WeakPolarHBondContact CB-O 2.82Å; S1197-G1200 PolarHBondContact O-N 3.48Å; S1197-G1200 PolarHBondContact OG-N 3.39Å; P1198-G1200 VanDerWaalsContact C-N 3.3Å; P1198-G1200 PolarHBondContact O-N 3.43Å; G1200-I1202 PolarHBondContact O-N 3.24Å
1201I92Very high89.2Confident50 Ų5038 Ų3826%0.25621%0.211SC..  trans-77.2119.6176.9-58175.9000109F609 V1196 S1197 Y1203F609-I1201 HydrophobicContact CD2-CG1 4.29Å; F609-I1201 HydrophobicContact CD2-CG2 4.38Å; F609-I1201 HydrophobicContact CE2-CG2 4.38Å; V1196-I1201 CarbonylContact C-O 3.56Å; V1196-I1201 WeakPolarHBondContact CA-O 3.5Å; S1197-I1201 PolarHBondContact N-O 3.45Å; S1197-I1201 WeakPolarHBondContact OG-CB 3.35Å; S1197-I1201 PolarHBondContact OG-N 3.15Å; I1201-Y1203 HydrophobicContact CG2-CE1 4.42Å
1202I92.1Very high89Confident6 Ų638 Ų383%0.03121%0.21CC..BIsolated β-bridgetrans-75.8124.6174.2-60.2170.2000108.5F609 V808 P880 M1194 V1196 G1200 T1204 R1205F609-I1202 HydrophobicContact CD1-CB 4.48Å; V808-I1202 HydrophobicContact CB-CD1 4.32Å; V808-I1202 HydrophobicContact CG1-CB 4.25Å; V808-I1202 HydrophobicContact CG1-CD1 4.3Å; V808-I1202 HydrophobicContact CG1-CG2 4.39Å; P880-I1202 HydrophobicContact CG-CD1 3.71Å; M1194-I1202 HydrophobicContact CE-CG2 4.08Å; V1196-I1202 HydrophobicContact CG2-CG1 4.34Å; G1200-I1202 PolarHBondContact O-N 3.24Å; I1202-T1204 WeakPolarHBondContact CG2-O 3.34Å; I1202-R1205 HydrophobicContact CG2-CG 4.41Å; I1202-R1205 VanDerWaalsContact O-CZ 3.25Å; I1202-R1205 PolarHBondContact O-NE 3.06Å; I1202-R1205 PolarHBondContact O-NH2 3.42Å
1203Y90.3Very high88.8Confident139 Ų13938 Ų3855%0.54521%0.211SC..  trans-91.3-29.2176.6-67.8-58.1000112.7K1195 S1197 I1201 R1205K1195-Y1203 PolarHBondContact O-N 2.85Å; S1197-Y1203 WeakPolarHBondContact CB-OH 3.36Å; I1201-Y1203 HydrophobicContact CG2-CE1 4.42Å; Y1203-R1205 PolarHBondContact O-N 3.31Å
1204T90.3Very high88.3Confident2 Ų236.8 Ų36.81%0.01221%0.205CC..  trans-85.494179.744.30000110.7M807 M1194 K1195 I1202 T1209M807-T1204 WeakPolarHBondContact CE-O 3.26Å; M1194-T1204 PolarHBondContact SD-OG1 2.89Å; K1195-T1204 HydrophobicContact CB-CG2 4.01Å; K1195-T1204 HydrophobicContact CG-CG2 4.19Å; K1195-T1204 PolarHBondContact N-OG1 2.99Å; I1202-T1204 WeakPolarHBondContact CG2-O 3.34Å; T1204-T1209 WeakPolarHBondContact CA-OG1 3.45Å
1205R89.8Confident87.8Confident82 Ų8235 Ų3531%0.30920%0.196SC..  trans-125.119.6-173.8-52.1-174.5-169167.76.1114.1F609 F804 V808 I1202 Y1203 T1209F609-R1205 VanDerWaalsContact CE1-NH2 3.26Å; F609-R1205 VanDerWaalsContact CZ-NH1 3.32Å; F804-R1205 WeakPolarHBondContact CA-O 3.39Å; F804-R1205 HydrophobicContact CB-CB 4.02Å; F804-R1205 VanDerWaalsContact CB-O 3.25Å; F804-R1205 WeakPolarHBondContact CB-O 3.4Å; V808-R1205 HydrophobicContact CG1-CG 3.74Å; I1202-R1205 HydrophobicContact CG2-CG 4.41Å; I1202-R1205 VanDerWaalsContact O-CZ 3.25Å; I1202-R1205 PolarHBondContact O-NE 3.06Å; I1202-R1205 PolarHBondContact O-NH2 3.42Å; Y1203-R1205 PolarHBondContact O-N 3.31Å; R1205-T1209 PolarHBondContact N-OG1 2.86Å
1206G88.6Confident87.4Confident9 Ų932.8 Ų32.89%0.09319%0.188CC..SBendtrans172.1-179.8175.800000113M807 G1208 T1209 Y1210M807-G1206 VanDerWaalsContact SD-CA 3.6Å; M807-G1206 PolarHBondContact SD-N 3.07Å; G1206-G1208 PolarHBondContact O-N 3.12Å; G1206-T1209 PolarHBondContact O-N 3.38Å; G1206-T1209 PolarHBondContact O-OG1 3.29Å; G1206-Y1210 PolarHBondContact O-N 2.92Å
1207P83.5Confident87.2Confident58 Ų5830.5 Ų30.538%0.37717%0.173SC..THydrogen-bonded Turntrans-64.4-18.3-176.125.7-33.4000113.1F708 T1209 K1211F708-P1207 HydrophobicContact CE1-CB 4.4Å; F708-P1207 HydrophobicContact CZ-CB 3.87Å; F708-P1207 HydrophobicContact CZ-CG 4.35Å; P1207-T1209 VanDerWaalsContact C-N 3.33Å; P1207-K1211 VanDerWaalsContact O-CE 3.31Å; P1207-K1211 WeakPolarHBondContact O-CE 3.15Å; P1207-K1211 PolarHBondContact O-NZ 2.82Å
1208G81.8Confident87.3Confident39 Ų3930.4 Ų30.440%0.40217%0.173SC..THydrogen-bonded Turntrans-68-29.2172.900000113.4G1206 K1211G1206-G1208 PolarHBondContact O-N 3.12Å; G1208-K1211 WeakPolarHBondContact O-CE 3.49Å; G1208-K1211 PolarHBondContact O-NZ 2.98Å
1209T86Confident87.7Confident65 Ų6525.6 Ų25.640%0.39914%0.141SC..THydrogen-bonded Turntrans-123.4-26.4-173.447.30000114.1T1204 R1205 G1206 P1207T1204-T1209 WeakPolarHBondContact CA-OG1 3.45Å; R1205-T1209 PolarHBondContact N-OG1 2.86Å; G1206-T1209 PolarHBondContact O-N 3.38Å; G1206-T1209 PolarHBondContact O-OG1 3.29Å; P1207-T1209 VanDerWaalsContact C-N 3.33Å
1210Y91.6Very high87.7Confident2 Ų225.3 Ų25.31%0.00813%0.133CC..SBendtrans-104.8123.8173.1-172.2-101.8000110Q705 E706 F708 M807 E1192 M1194 G1206 I1212Q705-Y1210 WeakPolarHBondContact CG-OH 3.36Å; E706-Y1210 HydrophobicContact CB-CD1 4.19Å; E706-Y1210 HydrophobicContact CB-CE1 3.62Å; E706-Y1210 HydrophobicContact CB-CE2 4.17Å; E706-Y1210 PolarHBondContact N-OH 2.98Å; F708-Y1210 HydrophobicContact CB-CE1 4.47Å; F708-Y1210 HydrophobicContact CD1-CD1 4.01Å; F708-Y1210 HydrophobicContact CD1-CE1 4.34Å; F708-Y1210 HydrophobicContact CD2-CD1 4.45Å; F708-Y1210 HydrophobicContact CE1-CD1 4.43Å; F708-Y1210 HydrophobicContact CG-CD1 4.23Å; F708-Y1210 HydrophobicContact CG-CE1 4.43Å; M807-Y1210 HydrophobicContact CE-CD1 4.17Å; M807-Y1210 HydrophobicContact CE-CD2 4.34Å; M807-Y1210 HydrophobicContact CE-CG 3.79Å; E1192-Y1210 HydrophobicContact CB-CE2 4.29Å; E1192-Y1210 WeakPolarHBondContact CB-OH 3.28Å; E1192-Y1210 HydrophobicContact CG-CE1 4.14Å; E1192-Y1210 PolarHBondContact OE2-OH 2.98Å; M1194-Y1210 HydrophobicContact CG-CE2 3.98Å; M1194-Y1210 HydrophobicContact SD-CD2 3.54Å; M1194-Y1210 VanDerWaalsContact SD-CD2 3.54Å; M1194-Y1210 HydrophobicContact SD-CE2 3.43Å; M1194-Y1210 WeakPolarHBondContact SD-CE2 3.23Å; G1206-Y1210 PolarHBondContact O-N 2.92Å; Y1210-I1212 HydrophobicContact CD1-CG2 3.95Å; Y1210-I1212 HydrophobicContact CE1-CG2 3.58Å
1211K89.5Confident87.8Confident6 Ų627.8 Ų27.83%0.02614%0.144CC..  trans-113.6118.6-171.3-53.1-61.3157.3162.30110.6Q389 R390 D394 I1191 E1192 P1207 G1208Q389-K1211 HydrophobicContact CB-CG 4.26Å; Q389-K1211 HydrophobicContact CG-CB 4.44Å; Q389-K1211 HydrophobicContact CG-CG 4.35Å; R390-K1211 HydrophobicContact CB-CB 4.41Å; D394-K1211 WeakPolarHBondContact OD1-CD 3.31Å; D394-K1211 WeakPolarHBondContact OD1-CE 3.45Å; D394-K1211 IonicContact OD1-NZ 3.21Å; D394-K1211 PolarHBondContact OD1-NZ 3.45Å; I1191-K1211 HydrophobicContact CG2-CB 3.92Å; I1191-K1211 WeakPolarHBondContact CG2-O 3.2Å; E1192-K1211 WeakPolarHBondContact CA-O 3.33Å; E1192-K1211 VanDerWaalsContact CG-O 3.22Å; E1192-K1211 WeakPolarHBondContact CG-O 3.43Å; P1207-K1211 VanDerWaalsContact O-CE 3.31Å; P1207-K1211 WeakPolarHBondContact O-CE 3.15Å; P1207-K1211 PolarHBondContact O-NZ 2.82Å; G1208-K1211 WeakPolarHBondContact O-CE 3.49Å; G1208-K1211 PolarHBondContact O-NZ 2.98Å
1212I89.4Confident87.7Confident4 Ų425.6 Ų25.62%0.02113%0.133CC..  trans-101.6162.1168.770.3103.8000110.1A112 F113 R390 F708 E1192 Y1210A112-I1212 WeakPolarHBondContact O-CD1 3.34Å; A112-I1212 WeakPolarHBondContact O-CG1 3.45Å; F113-I1212 HydrophobicContact CZ-CG2 4.3Å; R390-I1212 VanDerWaalsContact CD-O 3.3Å; R390-I1212 WeakPolarHBondContact CD-O 3.39Å; R390-I1212 PolarHBondContact NH1-O 3.4Å; F708-I1212 HydrophobicContact CD1-CG1 4.4Å; F708-I1212 HydrophobicContact CD1-CG2 3.61Å; F708-I1212 HydrophobicContact CE1-CG2 4.27Å; E1192-I1212 HydrophobicContact CG-CB 4.28Å; E1192-I1212 HydrophobicContact CG-CG2 3.91Å; Y1210-I1212 HydrophobicContact CD1-CG2 3.95Å; Y1210-I1212 HydrophobicContact CE1-CG2 3.58Å
1213P89.8Confident87.7Confident2 Ų226.5 Ų26.51%0.01314%0.137CC..  trans-56.9138.9179.5-25.435.1000114.2Y119 V1183 Y1186 I1191 D1217Y119-P1213 WeakPolarHBondContact CE2-O 3.06Å; Y119-P1213 PolarHBondContact OH-O 3.07Å; V1183-P1213 HydrophobicContact CG1-CB 3.77Å; V1183-P1213 HydrophobicContact CG1-CG 4.08Å; Y1186-P1213 HydrophobicContact CD1-CB 4.01Å; Y1186-P1213 HydrophobicContact CD1-CG 3.83Å; Y1186-P1213 HydrophobicContact CE1-CB 4.07Å; Y1186-P1213 HydrophobicContact CE1-CG 4.18Å; I1191-P1213 HydrophobicContact CD1-CB 4.45Å; I1191-P1213 HydrophobicContact CD1-CG 4.27Å; P1213-D1217 HydrophobicContact CB-CB 4.23Å
1214S83.7Confident87.8Confident0 Ų020.6 Ų20.60%012%0.116CC..  trans-104.3177.8173.972.90000112N1216 D1217 I1218S1214-N1216 PolarHBondContact O-N 3.27Å; S1214-N1216 VanDerWaalsContact O-N 3.07Å; S1214-N1216 PolarHBondContact OG-N 3.44Å; S1214-D1217 WeakPolarHBondContact CA-OD2 3.44Å; S1214-D1217 VanDerWaalsContact CB-OD2 3.3Å; S1214-D1217 WeakPolarHBondContact CB-OD2 3.49Å; S1214-D1217 PolarHBondContact N-OD2 3.36Å; S1214-D1217 PolarHBondContact O-N 3.32Å; S1214-D1217 PolarHBondContact OG-OD2 3.43Å; S1214-I1218 PolarHBondContact O-N 2.75Å
1215T81.2Confident88Confident2 Ų221.7 Ų21.71%0.01212%0.123CC..THydrogen-bonded Turntrans-55.7-24.6173.956.80000113.5R108 Q111 Y119 L123 I1218R108-T1215 PolarHBondContact NE-OG1 3.19Å; R108-T1215 PolarHBondContact NH2-OG1 3.3Å; R108-T1215 VanDerWaalsContact NH2-OG1 3.09Å; Q111-T1215 VanDerWaalsContact OE1-CG2 3.23Å; Y119-T1215 HydrophobicContact CD1-CG2 3.59Å; Y119-T1215 HydrophobicContact CE1-CG2 4.3Å; Y119-T1215 HydrophobicContact CG-CG2 3.82Å; L123-T1215 HydrophobicContact CD2-CG2 4.25Å; T1215-I1218 WeakPolarHBondContact O-CG1 3.33Å
1216N81.1Confident88.2Confident14 Ų1419.2 Ų19.28%0.07512%0.115CC..THydrogen-bonded Turntrans-92.1-1.9177.8-74.92.9000114R108 R391 E392 S1214R108-N1216 VanDerWaalsContact NH1-CB 3.28Å; R108-N1216 PolarHBondContact NH1-ND2 2.9Å; R108-N1216 PolarHBondContact NH2-ND2 3.43Å; R108-N1216 PolarHBondContact NH2-OD1 2.95Å; R108-N1216 VanDerWaalsContact NH2-OD1 3.11Å; R391-N1216 PolarHBondContact NH2-O 3.11Å; E392-N1216 PolarHBondContact OE1-ND2 2.84Å; E392-N1216 PolarHBondContact OE2-ND2 3.44Å; S1214-N1216 PolarHBondContact O-N 3.27Å; S1214-N1216 VanDerWaalsContact O-N 3.07Å; S1214-N1216 PolarHBondContact OG-N 3.44Å
1217D86.9Confident88.4Confident5 Ų519.5 Ų19.53%0.02712%0.115CC..THydrogen-bonded Turntrans-100.3-17.6177-51.8-58.9000112R390 Y1186 I1191 P1213 S1214R390-D1217 WeakPolarHBondContact CD-OD2 3.31Å; R390-D1217 WeakPolarHBondContact CG-OD2 3.35Å; Y1186-D1217 HydrophobicContact CE1-CB 3.77Å; Y1186-D1217 WeakPolarHBondContact CE1-O 3.26Å; Y1186-D1217 PolarHBondContact OH-O 3.1Å; I1191-D1217 HydrophobicContact CD1-CB 4.1Å; P1213-D1217 HydrophobicContact CB-CB 4.23Å; S1214-D1217 WeakPolarHBondContact CA-OD2 3.44Å; S1214-D1217 VanDerWaalsContact CB-OD2 3.3Å; S1214-D1217 WeakPolarHBondContact CB-OD2 3.49Å; S1214-D1217 PolarHBondContact N-OD2 3.36Å; S1214-D1217 PolarHBondContact O-N 3.32Å; S1214-D1217 PolarHBondContact OG-OD2 3.43Å
1218I88.8Confident88.6Confident1 Ų120.7 Ų20.71%0.00512%0.121CC..SBendtrans-62.3157.5176.274.9-178.8000111.6Y119 L123 Y505 V1183 S1214 T1215 R1220Y119-I1218 HydrophobicContact CD2-CG2 3.51Å; Y119-I1218 HydrophobicContact CE2-CG2 4.35Å; Y119-I1218 HydrophobicContact CG-CG2 4.32Å; L123-I1218 HydrophobicContact CD1-CD1 3.66Å; Y505-I1218 HydrophobicContact CE2-CD1 3.76Å; Y505-I1218 HydrophobicContact CE2-CG1 4.05Å; V1183-I1218 HydrophobicContact CG2-CG2 4.21Å; S1214-I1218 PolarHBondContact O-N 2.75Å; T1215-I1218 WeakPolarHBondContact O-CG1 3.33Å; I1218-R1220 PolarHBondContact O-N 3.06Å
1219P91.5Very high88.8Confident0 Ų022.4 Ų22.40%014%0.139CC..  trans-54.9130.6173.9-20.931.1000111.5Y505 V1156 T1159 F1182 Q1221 F1222Y505-P1219 WeakPolarHBondContact CE2-O 3.37Å; V1156-P1219 HydrophobicContact CB-CB 4.38Å; V1156-P1219 HydrophobicContact CB-CG 4.46Å; V1156-P1219 HydrophobicContact CG1-CB 3.79Å; V1156-P1219 HydrophobicContact CG1-CG 3.83Å; V1156-P1219 WeakPolarHBondContact O-CA 3.47Å; T1159-P1219 HydrophobicContact CG2-CG 4.48Å; T1159-P1219 WeakPolarHBondContact OG1-CG 2.7Å; F1182-P1219 HydrophobicContact CE1-CG 3.79Å; F1182-P1219 HydrophobicContact CZ-CG 4.47Å; P1219-Q1221 VanDerWaalsContact C-N 3.27Å; P1219-Q1221 WeakPolarHBondContact CB-O 3.41Å; P1219-Q1221 PolarHBondContact O-N 3.23Å; P1219-F1222 HydrophobicContact CB-CB 4.08Å; P1219-F1222 HydrophobicContact CB-CG 4.24Å; P1219-F1222 HydrophobicContact CG-CB 4.43Å; P1219-F1222 HydrophobicContact CG-CD1 4.26Å; P1219-F1222 HydrophobicContact CG-CD2 4.17Å; P1219-F1222 HydrophobicContact CG-CG 4.05Å
1220R85.7Confident88.9Confident46 Ų4619.8 Ų19.817%0.17412%0.123CC..SBendtrans-61.7-38.8178.8-58.6-59.7-1751770.4112.2Y505 V1155 V1156 I1157 I1218Y505-R1220 VanDerWaalsContact CD2-O 3.31Å; Y505-R1220 WeakPolarHBondContact CD2-O 3.31Å; Y505-R1220 VanDerWaalsContact CE2-O 3.3Å; Y505-R1220 WeakPolarHBondContact CE2-O 3.4Å; V1155-R1220 HydrophobicContact CG1-CG 4.3Å; V1156-R1220 PolarHBondContact O-N 3.25Å; I1157-R1220 WeakPolarHBondContact O-CB 3.46Å; I1157-R1220 PolarHBondContact O-N 2.79Å; I1218-R1220 PolarHBondContact O-N 3.06Å
1221Q89.8Confident88.5Confident52 Ų5221.9 Ų21.924%0.24314%0.141CC..EExtended strand (participates in β ladder)trans-111.7118.6164.4-174.3176.611.300109.1I1157 R1158 T1159 P1219 N1223I1157-Q1221 PolarHBondContact O-N 2.93Å; R1158-Q1221 CarbonylContact C-O 3.57Å; R1158-Q1221 VanDerWaalsContact CA-O 3.28Å; R1158-Q1221 WeakPolarHBondContact CA-O 3.41Å; R1158-Q1221 HydrophobicContact CB-CB 4.13Å; R1158-Q1221 VanDerWaalsContact CD-OE1 3.27Å; R1158-Q1221 HydrophobicContact CG-CB 4.02Å; R1158-Q1221 HydrophobicContact CG-CG 4.22Å; T1159-Q1221 PolarHBondContact N-O 2.85Å; P1219-Q1221 VanDerWaalsContact C-N 3.27Å; P1219-Q1221 WeakPolarHBondContact CB-O 3.41Å; P1219-Q1221 PolarHBondContact O-N 3.23Å; Q1221-N1223 PolarHBondContact NE2-ND2 2.91Å
1222F90.2Very high88.5Confident4 Ų422 Ų222%0.01814%0.142CC..EExtended strand (participates in β ladder)trans-124.7101.1-176.4-162.3-177.1000111.3T1159 I1161 E1179 F1182 V1183 P1219 V1224T1159-F1222 HydrophobicContact CG2-CD2 4.06Å; T1159-F1222 HydrophobicContact CG2-CE2 3.88Å; I1161-F1222 HydrophobicContact CD1-CE2 3.77Å; I1161-F1222 HydrophobicContact CD1-CZ 4.32Å; I1161-F1222 HydrophobicContact CG1-CE2 4.46Å; E1179-F1222 HydrophobicContact CB-CE1 4.13Å; E1179-F1222 HydrophobicContact CB-CZ 4.33Å; E1179-F1222 HydrophobicContact CG-CE1 4.08Å; E1179-F1222 HydrophobicContact CG-CZ 4.16Å; F1182-F1222 HydrophobicContact CB-CZ 4.08Å; F1182-F1222 HydrophobicContact CD1-CE1 4.2Å; F1182-F1222 AromaticContact CD1-CE2 3.88Å; F1182-F1222 HydrophobicContact CD1-CE2 3.88Å; F1182-F1222 AromaticContact CD1-CZ 3.41Å; F1182-F1222 HydrophobicContact CD1-CZ 3.41Å; F1182-F1222 VanDerWaalsContact CD1-CZ 3.41Å; F1182-F1222 HydrophobicContact CE1-CE2 4.26Å; F1182-F1222 HydrophobicContact CE1-CZ 4.11Å; F1182-F1222 HydrophobicContact CG-CE2 4.27Å; F1182-F1222 AromaticContact CG-CZ 3.91Å; F1182-F1222 HydrophobicContact CG-CZ 3.91Å; V1183-F1222 HydrophobicContact CG2-CE1 4.12Å; P1219-F1222 HydrophobicContact CB-CB 4.08Å; P1219-F1222 HydrophobicContact CB-CG 4.24Å; P1219-F1222 HydrophobicContact CG-CB 4.43Å; P1219-F1222 HydrophobicContact CG-CD1 4.26Å; P1219-F1222 HydrophobicContact CG-CD2 4.17Å; P1219-F1222 HydrophobicContact CG-CG 4.05Å; F1222-V1224 HydrophobicContact CD2-CG2 4.43Å; F1222-V1224 HydrophobicContact CE2-CG2 4.15Å
1223N92.5Very high88.4Confident24 Ų2427.2 Ų27.213%0.12817%0.17CC..EExtended strand (participates in β ladder)trans-106126.5-175.2-57.3-38.4000110.6D508 T1159 D1160 I1161 Q1221D508-N1223 PolarHBondContact O-OD1 3.15Å; T1159-N1223 PolarHBondContact O-N 3.01Å; D1160-N1223 CarbonylContact C-O 3.5Å; D1160-N1223 WeakPolarHBondContact CA-O 3.35Å; D1160-N1223 PolarHBondContact OD1-ND2 2.84Å; I1161-N1223 PolarHBondContact N-O 3.2Å; Q1221-N1223 PolarHBondContact NE2-ND2 2.91Å
1224V92.4Very high88.4Confident15 Ų1530.7 Ų30.79%0.09119%0.186CC..EExtended strand (participates in β ladder)trans-123.4126.6174.8-179.70000109.6I1161 I1175 I1178 E1179 F1222I1161-V1224 HydrophobicContact CB-CG2 4.43Å; I1175-V1224 HydrophobicContact CG1-CG1 4.4Å; I1175-V1224 HydrophobicContact CG2-CB 4.42Å; I1175-V1224 HydrophobicContact CG2-CG1 4.36Å; I1178-V1224 HydrophobicContact CB-CG1 4.23Å; I1178-V1224 HydrophobicContact CD1-CG1 3.94Å; I1178-V1224 HydrophobicContact CG2-CG1 3.79Å; I1178-V1224 HydrophobicContact CG2-CG2 4.23Å; E1179-V1224 HydrophobicContact CG-CG2 3.86Å; F1222-V1224 HydrophobicContact CD2-CG2 4.43Å; F1222-V1224 HydrophobicContact CE2-CG2 4.15Å
1225T94.1Very high88.6Confident26 Ų2631.1 Ų31.116%0.1619%0.19CC..EExtended strand (participates in β ladder)trans-123134.6177.8-58.70000110I1161 V1162 M1163I1161-T1225 PolarHBondContact O-N 3.49Å; V1162-T1225 CarbonylContact C-O 3.6Å; V1162-T1225 WeakPolarHBondContact CA-O 3.42Å; M1163-T1225 PolarHBondContact N-O 2.75Å
1226L93.5Very high89.2Confident29 Ų2931.2 Ų31.215%0.15219%0.191CC..EExtended strand (participates in β ladder)trans-92.3130.4171.4-53.6-176.9000109.2M1163 V1165 P1171 I1175 I1178 T1228M1163-L1226 WeakPolarHBondContact O-CA 3.43Å; V1165-L1226 HydrophobicContact CG1-CD2 4.19Å; V1165-L1226 HydrophobicContact CG2-CB 4.17Å; V1165-L1226 HydrophobicContact CG2-CD1 3.96Å; V1165-L1226 HydrophobicContact CG2-CD2 3.85Å; V1165-L1226 HydrophobicContact CG2-CG 4.2Å; P1171-L1226 HydrophobicContact CB-CD1 4.14Å; I1175-L1226 HydrophobicContact CD1-CD1 4.47Å; I1175-L1226 HydrophobicContact CG1-CD1 4.26Å; I1175-L1226 HydrophobicContact CG1-CD2 4.19Å; I1175-L1226 HydrophobicContact CG1-CG 4.29Å; I1178-L1226 HydrophobicContact CD1-CD2 3.55Å; L1226-T1228 PolarHBondContact O-N 3Å
1227L93.8Very high89.8Confident15 Ų1532.8 Ų32.88%0.07920%0.197CC..PPolyproline II helixtrans-66.2127.1179-171.274000110.2N937 R940 V1162 M1163 D1164 S1230N937-L1227 HydrophobicContact CB-CD2 3.69Å; R940-L1227 HydrophobicContact CB-CD1 4.31Å; R940-L1227 HydrophobicContact CB-CD2 4.24Å; V1162-L1227 HydrophobicContact CG1-CB 4.47Å; V1162-L1227 HydrophobicContact CG1-CD1 4.31Å; M1163-L1227 PolarHBondContact O-N 2.87Å; D1164-L1227 HydrophobicContact CB-CB 4.27Å; D1164-L1227 HydrophobicContact CB-CD2 4.06Å; L1227-S1230 PolarHBondContact O-OG 3.4Å; L1227-S1230 VanDerWaalsContact O-OG 3.11Å
1228T87.8Confident90.1Very high84 Ų8434.4 Ų34.452%0.51521%0.209SC..SBendtrans-84.2157.5178.757.50000112.2R940 L1226 S1230R940-T1228 PolarHBondContact NH2-O 3.19Å; L1226-T1228 PolarHBondContact O-N 3Å; T1228-S1230 PolarHBondContact O-N 3.16Å
1229G86.4Confident90.3Very high75 Ų7534.6 Ų34.677%0.77321%0.21SC*.SBendtrans61.644.7174.900000114.2R940R940-G1229 PolarHBondContact NH1-O 2.7Å
1230S87.5Confident90.5Very high9 Ų935.2 Ų35.26%0.06321%0.213CC..  trans-125.539.2-171.456.30000113.8D1164 G1166 L1227 T1228 N1232D1164-S1230 WeakPolarHBondContact OD1-CB 3.49Å; D1164-S1230 PolarHBondContact OD1-OG 2.95Å; G1166-S1230 VanDerWaalsContact CA-O 3.31Å; G1166-S1230 WeakPolarHBondContact CA-O 3.2Å; G1166-S1230 WeakPolarHBondContact CA-OG 2.87Å; L1227-S1230 PolarHBondContact O-OG 3.4Å; L1227-S1230 VanDerWaalsContact O-OG 3.11Å; T1228-S1230 PolarHBondContact O-N 3.16Å; S1230-N1232 PolarHBondContact O-N 2.84Å
1231A82.6Confident90.9Very high47 Ų4733.3 Ų33.339%0.38821%0.207SC..  trans-55.3131.4-172.900000114.6K935K935-A1231 VanDerWaalsContact CD-O 3.29Å; K935-A1231 WeakPolarHBondContact CD-O 3.15Å; K935-A1231 PolarHBondContact NZ-O 3.14Å
1232N89.7Confident91.2Very high9 Ų931 Ų315%0.04820%0.197CC..  trans-110.5103.2-179.7174.131000113.4Y1135 S1230 Q1234 G1235 S1238 S1239 K1240Y1135-N1232 VanDerWaalsContact CD1-ND2 3.26Å; Y1135-N1232 WeakPolarHBondContact CD1-ND2 3.4Å; Y1135-N1232 VanDerWaalsContact CE1-ND2 3.27Å; Y1135-N1232 WeakPolarHBondContact CE1-ND2 3.36Å; S1230-N1232 PolarHBondContact O-N 2.84Å; N1232-Q1234 PolarHBondContact O-N 2.86Å; N1232-Q1234 PolarHBondContact OD1-N 3.3Å; N1232-G1235 PolarHBondContact ND2-N 2.82Å; N1232-G1235 PolarHBondContact O-N 2.83Å; N1232-G1235 VanDerWaalsContact O-N 3.1Å; N1232-S1238 PolarHBondContact N-O 3.14Å; N1232-S1238 VanDerWaalsContact O-CA 3.23Å; N1232-S1238 WeakPolarHBondContact O-CA 3.45Å; N1232-S1239 PolarHBondContact ND2-O 3.15Å; N1232-K1240 HydrophobicContact CB-CG 3.86Å
1233D88Confident91.3Very high113 Ų11331.7 Ų31.760%0.60421%0.205SC*.THydrogen-bonded Turntrans-67.1-12.7-172.7-44.6-28.3000114.1K935K935-D1233 WeakPolarHBondContact CE-OD2 3.31Å; K935-D1233 IonicContact NZ-OD1 3.75Å; K935-D1233 PolarHBondContact NZ-OD1 2.87Å; K935-D1233 IonicContact NZ-OD2 2.86Å; K935-D1233 PolarHBondContact NZ-OD2 3.47Å
1234Q88.8Confident91.6Very high75 Ų7531.5 Ų31.535%0.3520%0.203SC..THydrogen-bonded Turntrans-91.6-18.5180-56.5-65.3-69.800113.4Y1135 N1232Y1135-Q1234 HydrophobicContact CD1-CB 3.91Å; N1232-Q1234 PolarHBondContact O-N 2.86Å; N1232-Q1234 PolarHBondContact OD1-N 3.3Å
1235G89.1Confident91.8Very high9 Ų930.8 Ų30.89%0.09320%0.199CC..SBendtrans-90.1157.7-179.900000112.3N1232 F1237 S1238 S1239N1232-G1235 PolarHBondContact ND2-N 2.82Å; N1232-G1235 PolarHBondContact O-N 2.83Å; N1232-G1235 VanDerWaalsContact O-N 3.1Å; G1235-F1237 PolarHBondContact O-N 2.92Å; G1235-S1238 PolarHBondContact O-N 2.9Å; G1235-S1239 WeakPolarHBondContact CA-O 3.49Å
1236V92.9Very high92Very high3 Ų329.5 Ų29.52%0.01819%0.191CC..G310 helixtrans-63.5124.317560.90000109.6V1031 I1070 L1169 S1238 S1239V1031-V1236 HydrophobicContact CG1-CG2 4.48Å; V1031-V1236 HydrophobicContact CG2-CG2 4.11Å; I1070-V1236 HydrophobicContact CG1-CB 3.92Å; I1070-V1236 HydrophobicContact CG1-CG2 4.39Å; L1169-V1236 HydrophobicContact CD1-CG1 3.73Å; L1169-V1236 HydrophobicContact CD2-CG1 4.24Å; L1169-V1236 HydrophobicContact CG-CG1 4.4Å; V1236-S1238 PolarHBondContact O-N 2.91Å; V1236-S1238 VanDerWaalsContact O-N 3.1Å; V1236-S1239 WeakPolarHBondContact O-CB 3.25Å; V1236-S1239 PolarHBondContact O-N 3.44Å; V1236-S1239 VanDerWaalsContact O-N 3.09Å; V1236-S1239 PolarHBondContact O-OG 3.46Å
1237F93.1Very high92.2Very high48 Ų4828.1 Ų28.121%0.21118%0.184CC..G310 helixtrans5035.1-175.3-56.9-52.2000114.7V1031 K1034 V1035 K1073 L1169 G1235 S1239V1031-F1237 HydrophobicContact CB-CE2 4.27Å; V1031-F1237 HydrophobicContact CG1-CE2 4.03Å; V1031-F1237 HydrophobicContact CG2-CD2 4.28Å; V1031-F1237 HydrophobicContact CG2-CE2 3.99Å; K1034-F1237 HydrophobicContact CB-CE2 4.45Å; K1034-F1237 HydrophobicContact CB-CZ 4.48Å; K1034-F1237 HydrophobicContact CD-CD2 4.26Å; K1034-F1237 HydrophobicContact CD-CE1 4.26Å; K1034-F1237 HydrophobicContact CD-CE2 3.93Å; K1034-F1237 HydrophobicContact CD-CZ 3.92Å; K1034-F1237 HydrophobicContact CG-CE2 4.41Å; K1034-F1237 HydrophobicContact CG-CZ 4.14Å; V1035-F1237 HydrophobicContact CG2-CZ 3.83Å; K1073-F1237 HydrophobicContact CD-CE1 4.47Å; L1169-F1237 HydrophobicContact CD2-CB 4.09Å; L1169-F1237 HydrophobicContact CD2-CD2 3.91Å; G1235-F1237 PolarHBondContact O-N 2.92Å; F1237-S1239 VanDerWaalsContact C-N 3.32Å; F1237-S1239 PolarHBondContact O-N 2.9Å
1238S92.9Very high92.5Very high39 Ų3927.5 Ų27.527%0.27318%0.181SC..G310 helixtrans71.715.9179.2-52.50000116.5A1167 N1232 G1235 V1236A1167-S1238 PolarHBondContact N-O 2.81Å; N1232-S1238 PolarHBondContact N-O 3.14Å; N1232-S1238 VanDerWaalsContact O-CA 3.23Å; N1232-S1238 WeakPolarHBondContact O-CA 3.45Å; G1235-S1238 PolarHBondContact O-N 2.9Å; V1236-S1238 PolarHBondContact O-N 2.91Å; V1236-S1238 VanDerWaalsContact O-N 3.1Å
1239S93.5Very high93Very high4 Ų423.5 Ų23.53%0.02816%0.156CC..BIsolated β-bridgetrans-75.1169.4177.269.10000113.9D1066 A1167 N1232 G1235 V1236 F1237D1066-S1239 PolarHBondContact OD1-OG 2.75Å; A1167-S1239 VanDerWaalsContact O-CA 3.23Å; A1167-S1239 WeakPolarHBondContact O-CA 3.29Å; A1167-S1239 WeakPolarHBondContact O-CB 3.18Å; A1167-S1239 PolarHBondContact O-N 2.89Å; N1232-S1239 PolarHBondContact ND2-O 3.15Å; G1235-S1239 WeakPolarHBondContact CA-O 3.49Å; V1236-S1239 WeakPolarHBondContact O-CB 3.25Å; V1236-S1239 PolarHBondContact O-N 3.44Å; V1236-S1239 VanDerWaalsContact O-N 3.09Å; V1236-S1239 PolarHBondContact O-OG 3.46Å; F1237-S1239 VanDerWaalsContact C-N 3.32Å; F1237-S1239 PolarHBondContact O-N 2.9Å
1240K95.3Very high93.5Very high13 Ų1320 Ų206%0.05712%0.119CC..  trans-129.7150.8166.9-66.2-173.3175.5-170.90111.9Y1135 F1136 D1164 V1165 N1232Y1135-K1240 HydrophobicContact CD2-CB 4.41Å; Y1135-K1240 HydrophobicContact CD2-CD 4.1Å; Y1135-K1240 HydrophobicContact CD2-CG 3.95Å; Y1135-K1240 HydrophobicContact CE2-CB 3.63Å; Y1135-K1240 HydrophobicContact CE2-CD 4.14Å; Y1135-K1240 HydrophobicContact CE2-CG 3.61Å; Y1135-K1240 WeakPolarHBondContact OH-CA 3.01Å; F1136-K1240 PolarHBondContact O-NZ 2.95Å; D1164-K1240 IonicContact OD1-NZ 3.55Å; D1164-K1240 IonicContact OD2-NZ 3.26Å; D1164-K1240 PolarHBondContact OD2-NZ 2.85Å; V1165-K1240 PolarHBondContact O-N 2.7Å; N1232-K1240 HydrophobicContact CB-CG 3.86Å
1241G94.5Very high94Very high6 Ų619.5 Ų19.56%0.06212%0.116CC..  trans-68.3128.1171.600000111.2S1062 Y1135 T1137S1062-G1241 WeakPolarHBondContact O-CA 3.22Å; Y1135-G1241 PolarHBondContact OH-N 2.98Å; T1137-G1241 PolarHBondContact OG1-O 3.1Å
1242V95.6Very high94.8Very high5 Ų517.3 Ų17.33%0.0310%0.098CC..  trans-124.6-1-173.471.30000113.5M1163 V1165 D1174 Q1177 I1178 P1246M1163-V1242 HydrophobicContact CG-CG2 4.43Å; V1165-V1242 HydrophobicContact CG1-CB 4.05Å; V1165-V1242 HydrophobicContact CG1-CG2 3.62Å; D1174-V1242 HydrophobicContact CB-CG1 4.02Å; D1174-V1242 WeakPolarHBondContact OD1-CG1 3.43Å; Q1177-V1242 HydrophobicContact CB-CG1 3.86Å; Q1177-V1242 HydrophobicContact CG-CG1 4.28Å; I1178-V1242 HydrophobicContact CD1-CG2 4.06Å; I1178-V1242 HydrophobicContact CG1-CG2 3.54Å; V1242-P1246 HydrophobicContact CG2-CG 3.88Å; V1242-P1246 WeakPolarHBondContact O-CD 3.16Å; V1242-P1246 WeakPolarHBondContact O-CG 3.25Å
1243G93.8Very high95.2Very high18 Ų1816.9 Ų16.919%0.18610%0.096CC..SBendtrans-54-62.7-176.400000112.2R886R886-G1243 PolarHBondContact NE-O 3.14Å; R886-G1243 PolarHBondContact NH2-O 2.83Å
1244E97.7Very high95.8Very high19 Ų1911.5 Ų11.59%0.0897%0.067CC..SBendtrans-90.9-35.9-175.2-59.9167102.100116.8R886 G887 F987 A1061 S1062 P1246 L1247R886-E1244 HydrophobicContact CB-CG 4.45Å; R886-E1244 HydrophobicContact CG-CB 4.16Å; R886-E1244 HydrophobicContact CG-CG 3.71Å; G887-E1244 PolarHBondContact N-OE1 2.86Å; F987-E1244 HydrophobicContact CE1-CB 4Å; F987-E1244 HydrophobicContact CZ-CB 3.91Å; A1061-E1244 VanDerWaalsContact CA-OE2 3.25Å; A1061-E1244 WeakPolarHBondContact CA-OE2 3.45Å; S1062-E1244 PolarHBondContact N-OE2 2.91Å; S1062-E1244 WeakPolarHBondContact OG-CB 3.38Å; S1062-E1244 WeakPolarHBondContact OG-CG 3.46Å; S1062-E1244 PolarHBondContact OG-N 2.87Å; S1062-E1244 PolarHBondContact OG-OE2 2.8Å; E1244-P1246 VanDerWaalsContact O-N 3.16Å; E1244-L1247 WeakPolarHBondContact O-CB 3.33Å; E1244-L1247 PolarHBondContact O-N 3.39Å
1245P97.9Very high96.2Very high0 Ų08 Ų80%05%0.051CC..G310 helixtrans-50-41.7-171.4-28.933.8000116.3F987 I989 T1137 M1163 L1247F987-P1245 HydrophobicContact CB-CB 3.68Å; F987-P1245 HydrophobicContact CB-CG 3.8Å; F987-P1245 HydrophobicContact CD1-CB 4.48Å; F987-P1245 HydrophobicContact CD1-CG 3.82Å; F987-P1245 HydrophobicContact CG-CB 4.12Å; F987-P1245 HydrophobicContact CG-CG 3.95Å; I989-P1245 HydrophobicContact CD1-CG 3.8Å; T1137-P1245 HydrophobicContact CG2-CB 3.7Å; T1137-P1245 HydrophobicContact CG2-CG 3.76Å; M1163-P1245 HydrophobicContact CE-CB 3.57Å; P1245-L1247 PolarHBondContact O-N 3.42Å
1246P97.9Very high96.7Very high0 Ų07.6 Ų7.60%05%0.046CC..G310 helixtrans-73.6-10.3-175.5-11.927.6000113.8M1163 I1178 A1181 V1242 E1244 F1248 L1249M1163-P1246 HydrophobicContact CE-CB 4.4Å; M1163-P1246 HydrophobicContact CE-CG 3.92Å; M1163-P1246 HydrophobicContact SD-CB 4.19Å; M1163-P1246 HydrophobicContact SD-CG 4.05Å; I1178-P1246 HydrophobicContact CB-CB 4.34Å; I1178-P1246 HydrophobicContact CB-CG 4.24Å; I1178-P1246 HydrophobicContact CG1-CB 4.34Å; I1178-P1246 HydrophobicContact CG1-CG 3.78Å; I1178-P1246 HydrophobicContact CG2-CB 4.09Å; I1178-P1246 HydrophobicContact CG2-CG 4.46Å; A1181-P1246 HydrophobicContact CB-CB 3.87Å; A1181-P1246 HydrophobicContact CB-CG 4.2Å; V1242-P1246 HydrophobicContact CG2-CG 3.88Å; V1242-P1246 WeakPolarHBondContact O-CD 3.16Å; V1242-P1246 WeakPolarHBondContact O-CG 3.25Å; E1244-P1246 VanDerWaalsContact O-N 3.16Å; P1246-F1248 VanDerWaalsContact C-N 3.31Å; P1246-F1248 PolarHBondContact O-N 3.36Å; P1246-L1249 VanDerWaalsContact O-CB 3.29Å; P1246-L1249 WeakPolarHBondContact O-CB 3.42Å; P1246-L1249 PolarHBondContact O-N 2.96Å
1247L98.1Very high97Very high0 Ų07.5 Ų7.50%05%0.046CC..G310 helixtrans-62.2-39.3-177.3-178153.3000112.2R886 P891 A1181 Q1184 G1185 L1188 E1244 P1245 L1249 G1250R886-L1247 HydrophobicContact CB-CD1 3.79Å; R886-L1247 HydrophobicContact CG-CD1 3.86Å; R886-L1247 WeakPolarHBondContact O-CD1 3.5Å; P891-L1247 HydrophobicContact CB-CD2 4.15Å; P891-L1247 HydrophobicContact CG-CD2 3.59Å; A1181-L1247 HydrophobicContact CB-CB 4.23Å; A1181-L1247 WeakPolarHBondContact O-CA 3.33Å; Q1184-L1247 HydrophobicContact CB-CD1 4.46Å; Q1184-L1247 HydrophobicContact CG-CD1 3.76Å; G1185-L1247 WeakPolarHBondContact CA-O 3.28Å; L1188-L1247 HydrophobicContact CD2-CD2 4.01Å; E1244-L1247 WeakPolarHBondContact O-CB 3.33Å; E1244-L1247 PolarHBondContact O-N 3.39Å; P1245-L1247 PolarHBondContact O-N 3.42Å; L1247-L1249 PolarHBondContact O-N 3.4Å; L1247-G1250 PolarHBondContact O-N 2.8Å; L1247-G1250 VanDerWaalsContact O-N 3.12Å
1248F98.6Very high97.2Very high2 Ų25.3 Ų5.31%0.0094%0.036CC..G310 helixtrans-65.5-23.7178.6-171-113.6000112.7P891 M894 L895 E898 I983 F1189 P1246 G1250 S1251P891-F1248 HydrophobicContact CB-CD2 4.07Å; M894-F1248 HydrophobicContact CB-CD1 4.16Å; M894-F1248 HydrophobicContact CB-CD2 4.03Å; M894-F1248 HydrophobicContact CB-CE1 3.68Å; M894-F1248 HydrophobicContact CB-CE2 3.54Å; M894-F1248 HydrophobicContact CB-CG 4.32Å; M894-F1248 HydrophobicContact CB-CZ 3.34Å; M894-F1248 HydrophobicContact CE-CB 3.79Å; M894-F1248 HydrophobicContact CE-CD1 4.16Å; M894-F1248 HydrophobicContact CE-CD2 4.13Å; M894-F1248 HydrophobicContact CE-CG 3.75Å; M894-F1248 HydrophobicContact CG-CE1 4.46Å; M894-F1248 HydrophobicContact SD-CB 4.46Å; M894-F1248 HydrophobicContact SD-CD1 3.77Å; M894-F1248 HydrophobicContact SD-CE1 4.14Å; M894-F1248 HydrophobicContact SD-CG 3.99Å; L895-F1248 HydrophobicContact CB-CE2 4.49Å; E898-F1248 HydrophobicContact CG-CE1 3.86Å; E898-F1248 HydrophobicContact CG-CZ 3.62Å; I983-F1248 HydrophobicContact CG2-CD1 4.2Å; I983-F1248 HydrophobicContact CG2-CE1 3.8Å; F1189-F1248 HydrophobicContact CE2-CD2 4.42Å; F1189-F1248 AromaticContact CZ-CD2 3.85Å; F1189-F1248 HydrophobicContact CZ-CD2 3.85Å; F1189-F1248 HydrophobicContact CZ-CE2 4.04Å; P1246-F1248 VanDerWaalsContact C-N 3.31Å; P1246-F1248 PolarHBondContact O-N 3.36Å; F1248-G1250 PolarHBondContact O-N 2.79Å; F1248-S1251 VanDerWaalsContact O-CB 3.27Å; F1248-S1251 WeakPolarHBondContact O-CB 3.25Å; F1248-S1251 PolarHBondContact O-N 3.34Å; F1248-S1251 PolarHBondContact O-OG 3.22Å
1249L98.7Very high97.4Very high0 Ų04.2 Ų4.20%03%0.027CC..G310 helixtrans-64.2-20.8176.3-59.8-176.7000112.2I983 T985 I1161 M1163 F1182 P1246 L1247 S1251 S1252I983-L1249 WeakPolarHBondContact O-CD2 3.29Å; T985-L1249 HydrophobicContact CG2-CD1 4.39Å; T985-L1249 HydrophobicContact CG2-CD2 3.6Å; T985-L1249 HydrophobicContact CG2-CG 3.92Å; I1161-L1249 HydrophobicContact CG2-CD1 3.71Å; M1163-L1249 HydrophobicContact SD-CD1 3.96Å; F1182-L1249 HydrophobicContact CD2-CB 4.1Å; F1182-L1249 WeakPolarHBondContact CE2-O 3.47Å; P1246-L1249 VanDerWaalsContact O-CB 3.29Å; P1246-L1249 WeakPolarHBondContact O-CB 3.42Å; P1246-L1249 PolarHBondContact O-N 2.96Å; L1247-L1249 PolarHBondContact O-N 3.4Å; L1249-S1251 PolarHBondContact O-N 2.85Å; L1249-S1251 VanDerWaalsContact O-N 3.09Å; L1249-S1252 WeakPolarHBondContact O-CB 3.17Å; L1249-S1252 PolarHBondContact O-N 2.94Å; L1249-S1252 PolarHBondContact O-OG 3.31Å
1250G97.9Very high97.6Very high0 Ų04 Ų40%03%0.026CC..G310 helixtrans-57.7-20.9169.400000113.8L1247 F1248 S1252 V1253L1247-G1250 PolarHBondContact O-N 2.8Å; L1247-G1250 VanDerWaalsContact O-N 3.12Å; F1248-G1250 PolarHBondContact O-N 2.79Å; G1250-S1252 PolarHBondContact O-N 3.27Å; G1250-V1253 PolarHBondContact O-N 3.45Å
1251S98.6Very high97.6Very high0 Ų03.5 Ų3.50%02%0.024CC..Hα-helixtrans-69.3-15.2174.769.10000113.4F1189 F1248 L1249 V1253 F1254 F1255F1189-S1251 VanDerWaalsContact CD2-N 3.3Å; F1248-S1251 VanDerWaalsContact O-CB 3.27Å; F1248-S1251 WeakPolarHBondContact O-CB 3.25Å; F1248-S1251 PolarHBondContact O-N 3.34Å; F1248-S1251 PolarHBondContact O-OG 3.22Å; L1249-S1251 PolarHBondContact O-N 2.85Å; L1249-S1251 VanDerWaalsContact O-N 3.09Å; S1251-V1253 PolarHBondContact O-N 3.25Å; S1251-F1254 WeakPolarHBondContact O-CB 3.4Å; S1251-F1254 PolarHBondContact O-N 3.48Å; S1251-F1254 VanDerWaalsContact O-N 3.07Å; S1251-F1255 VanDerWaalsContact O-CD2 3.22Å; S1251-F1255 WeakPolarHBondContact O-CD2 3.48Å; S1251-F1255 PolarHBondContact O-N 3.26Å
1252S98.8Very high97.7Very high0 Ų04.4 Ų4.40%03%0.026CC..Hα-helixtrans-59.4-34.4170.860.40000111.5S981 G1141 S1143 L1249 G1250 A1256S981-S1252 WeakPolarHBondContact CB-O 3.47Å; G1141-S1252 WeakPolarHBondContact O-CB 3.48Å; S1143-S1252 WeakPolarHBondContact CB-OG 3.39Å; S1143-S1252 PolarHBondContact OG-OG 3.24Å; L1249-S1252 WeakPolarHBondContact O-CB 3.17Å; L1249-S1252 PolarHBondContact O-N 2.94Å; L1249-S1252 PolarHBondContact O-OG 3.31Å; G1250-S1252 PolarHBondContact O-N 3.27Å; S1252-A1256 VanDerWaalsContact O-CB 3.23Å; S1252-A1256 WeakPolarHBondContact O-CB 3.41Å; S1252-A1256 PolarHBondContact O-N 3.47Å
1253V98.8Very high97.6Very high0 Ų04.7 Ų4.70%03%0.028CC..Hα-helixtrans-66.8-44.2173.4-173.30000110.7V1145 V1156 F1182 Y1186 T1190 G1250 S1251 F1255 A1256 L1257V1145-V1253 HydrophobicContact CG1-CG1 3.71Å; V1156-V1253 HydrophobicContact CG1-CG2 4.29Å; V1156-V1253 HydrophobicContact CG2-CG1 3.7Å; V1156-V1253 HydrophobicContact CG2-CG2 4.31Å; F1182-V1253 HydrophobicContact CE1-CG2 4.46Å; F1182-V1253 HydrophobicContact CE2-CG2 4.49Å; F1182-V1253 HydrophobicContact CZ-CG2 3.7Å; Y1186-V1253 HydrophobicContact CD2-CB 3.92Å; Y1186-V1253 HydrophobicContact CD2-CG1 3.68Å; Y1186-V1253 HydrophobicContact CD2-CG2 4Å; Y1186-V1253 HydrophobicContact CE2-CB 4.42Å; Y1186-V1253 HydrophobicContact CE2-CG1 3.66Å; T1190-V1253 HydrophobicContact CG2-CG1 4.14Å; G1250-V1253 PolarHBondContact O-N 3.45Å; S1251-V1253 PolarHBondContact O-N 3.25Å; V1253-F1255 PolarHBondContact O-N 3.14Å; V1253-A1256 PolarHBondContact O-N 3.3Å; V1253-L1257 HydrophobicContact CG1-CD1 4.29Å; V1253-L1257 VanDerWaalsContact O-CG 3.29Å; V1253-L1257 WeakPolarHBondContact O-CG 3.41Å; V1253-L1257 PolarHBondContact O-N 3.03Å
1254F98.7Very high97.4Very high0 Ų04 Ų40%02%0.021CC..Hα-helixtrans-59.5-45.6177.4174.6-93.8000113L895 F1189 S1251 L1257 K1258 F1276 A1280L895-F1254 HydrophobicContact CD1-CD1 4.24Å; L895-F1254 HydrophobicContact CD1-CE1 3.97Å; F1189-F1254 HydrophobicContact CB-CB 3.79Å; F1189-F1254 HydrophobicContact CB-CD2 4.23Å; F1189-F1254 HydrophobicContact CB-CG 4.29Å; F1189-F1254 HydrophobicContact CG-CB 4.42Å; F1189-F1254 VanDerWaalsContact O-CD2 3.29Å; F1189-F1254 WeakPolarHBondContact O-CD2 3.15Å; S1251-F1254 WeakPolarHBondContact O-CB 3.4Å; S1251-F1254 PolarHBondContact O-N 3.48Å; S1251-F1254 VanDerWaalsContact O-N 3.07Å; F1254-L1257 WeakPolarHBondContact O-CB 3.47Å; F1254-L1257 PolarHBondContact O-N 3.11Å; F1254-K1258 PolarHBondContact O-N 3.1Å; F1254-F1276 HydrophobicContact CD1-CD1 4.19Å; F1254-F1276 AromaticContact CD2-CD1 3.93Å; F1254-F1276 HydrophobicContact CD2-CD1 3.93Å; F1254-F1276 AromaticContact CD2-CE1 3.8Å; F1254-F1276 HydrophobicContact CD2-CE1 3.8Å; F1254-F1276 AromaticContact CE1-CD1 3.69Å; F1254-F1276 HydrophobicContact CE1-CD1 3.69Å; F1254-F1276 HydrophobicContact CE1-CE1 4.42Å; F1254-F1276 AromaticContact CE2-CD1 3.41Å; F1254-F1276 HydrophobicContact CE2-CD1 3.41Å; F1254-F1276 VanDerWaalsContact CE2-CD1 3.41Å; F1254-F1276 AromaticContact CE2-CE1 3.68Å; F1254-F1276 HydrophobicContact CE2-CE1 3.68Å; F1254-F1276 HydrophobicContact CE2-CG 4.33Å; F1254-F1276 HydrophobicContact CG-CD1 4.31Å; F1254-F1276 HydrophobicContact CG-CE1 4.26Å; F1254-F1276 HydrophobicContact CZ-CB 4.21Å; F1254-F1276 AromaticContact CZ-CD1 3.29Å; F1254-F1276 HydrophobicContact CZ-CD1 3.29Å; F1254-F1276 HydrophobicContact CZ-CE1 4.03Å; F1254-F1276 HydrophobicContact CZ-CG 4.07Å; F1254-F1276 WeakPolarHBondContact CZ-O 3.18Å; F1254-F1276 WeakPolarHBondContact O-CE1 3.45Å; F1254-A1280 HydrophobicContact CD2-CB 3.6Å; F1254-A1280 HydrophobicContact CE2-CB 3.75Å
1255F98.8Very high97.2Very high3 Ų35 Ų51%0.0132%0.024CC..Hα-helixtrans-73.9-27.7177.5-72-69.7000112.7L895 E898 T902 S981 I983 S1251 V1253 K1258 D1259L895-F1255 HydrophobicContact CD1-CE2 4.03Å; L895-F1255 HydrophobicContact CD1-CZ 3.87Å; E898-F1255 HydrophobicContact CB-CD2 4.49Å; E898-F1255 HydrophobicContact CB-CE1 4.25Å; E898-F1255 HydrophobicContact CB-CE2 3.45Å; E898-F1255 VanDerWaalsContact CB-CE2 3.45Å; E898-F1255 HydrophobicContact CB-CZ 3.3Å; E898-F1255 HydrophobicContact CG-CE2 4.12Å; E898-F1255 HydrophobicContact CG-CZ 4.42Å; T902-F1255 HydrophobicContact CG2-CD1 4.41Å; T902-F1255 WeakPolarHBondContact OG1-CD1 3.27Å; T902-F1255 WeakPolarHBondContact OG1-CE1 3.3Å; S981-F1255 WeakPolarHBondContact OG-CB 3.5Å; I983-F1255 HydrophobicContact CD1-CB 4.17Å; I983-F1255 HydrophobicContact CD1-CD2 3.45Å; I983-F1255 VanDerWaalsContact CD1-CD2 3.45Å; I983-F1255 HydrophobicContact CD1-CE2 4.14Å; I983-F1255 HydrophobicContact CD1-CG 3.99Å; I983-F1255 HydrophobicContact CG1-CD2 3.98Å; S1251-F1255 VanDerWaalsContact O-CD2 3.22Å; S1251-F1255 WeakPolarHBondContact O-CD2 3.48Å; S1251-F1255 PolarHBondContact O-N 3.26Å; V1253-F1255 PolarHBondContact O-N 3.14Å; F1255-K1258 HydrophobicContact CD1-CD 4.38Å; F1255-K1258 PolarHBondContact O-N 3.42Å; F1255-D1259 WeakPolarHBondContact O-CB 3.35Å; F1255-D1259 PolarHBondContact O-N 3.27Å
1256A98.8Very high96.9Very high0 Ų08.5 Ų8.50%04%0.04CC..Hα-helixtrans-67.3-37169.400000111.4G979 S1143 V1145 S1252 V1253 D1259 A1260G979-A1256 WeakPolarHBondContact CA-O 3.45Å; S1143-A1256 WeakPolarHBondContact O-CB 3.45Å; V1145-A1256 HydrophobicContact CB-CB 4.5Å; V1145-A1256 HydrophobicContact CG1-CB 4Å; V1145-A1256 VanDerWaalsContact CG2-C 3.48Å; V1145-A1256 HydrophobicContact CG2-CB 3.82Å; V1145-A1256 WeakPolarHBondContact CG2-O 3.48Å; S1252-A1256 VanDerWaalsContact O-CB 3.23Å; S1252-A1256 WeakPolarHBondContact O-CB 3.41Å; S1252-A1256 PolarHBondContact O-N 3.47Å; V1253-A1256 PolarHBondContact O-N 3.3Å; A1256-D1259 WeakPolarHBondContact O-CB 3.45Å; A1256-D1259 PolarHBondContact O-N 3.24Å; A1256-A1260 PolarHBondContact O-N 3.43Å
1257L98.6Very high96.3Very high0 Ų011.6 Ų11.60%06%0.057CC..Hα-helixtrans-65.7-42.6171.7-68.5167.2000111.2V1145 V1147 H1154 T1190 V1253 F1254 D1259 A1260 V1261 F1276 A1280 I1285V1145-L1257 HydrophobicContact CB-CD2 4.09Å; V1145-L1257 HydrophobicContact CG1-CD2 4.29Å; V1145-L1257 HydrophobicContact CG1-CG 4.33Å; V1145-L1257 HydrophobicContact CG2-CD2 3.81Å; V1145-L1257 HydrophobicContact CG2-CG 4.16Å; V1147-L1257 HydrophobicContact CG2-CD2 3.37Å; H1154-L1257 HydrophobicContact CB-CD2 3.62Å; T1190-L1257 HydrophobicContact CG2-CD1 3.59Å; V1253-L1257 HydrophobicContact CG1-CD1 4.29Å; V1253-L1257 VanDerWaalsContact O-CG 3.29Å; V1253-L1257 WeakPolarHBondContact O-CG 3.41Å; V1253-L1257 PolarHBondContact O-N 3.03Å; F1254-L1257 WeakPolarHBondContact O-CB 3.47Å; F1254-L1257 PolarHBondContact O-N 3.11Å; L1257-D1259 VanDerWaalsContact C-N 3.25Å; L1257-D1259 PolarHBondContact O-N 3.38Å; L1257-A1260 PolarHBondContact O-N 3.19Å; L1257-V1261 WeakPolarHBondContact O-CB 3.21Å; L1257-V1261 VanDerWaalsContact O-CG2 3.31Å; L1257-V1261 WeakPolarHBondContact O-CG2 3.44Å; L1257-V1261 PolarHBondContact O-N 3.11Å; L1257-F1276 HydrophobicContact CB-CE1 4.22Å; L1257-F1276 HydrophobicContact CB-CZ 4.13Å; L1257-A1280 HydrophobicContact CD1-CB 4.44Å; L1257-I1285 HydrophobicContact CD1-CD1 4.16Å; L1257-I1285 HydrophobicContact CD2-CD1 4.15Å
1258K98.3Very high95.7Very high2 Ų213.5 Ų13.51%0.0097%0.067CC..Hα-helixtrans-58.8-39.4174.5-165.7174.5178.21800111.4T902 D903 Y906 F1254 F1255 V1261 K1262 F1274 F1276T902-K1258 HydrophobicContact CG2-CD 4.02Å; D903-K1258 IonicContact OD1-NZ 3.9Å; D903-K1258 PolarHBondContact OD1-NZ 2.92Å; D903-K1258 IonicContact OD2-NZ 2.77Å; Y906-K1258 HydrophobicContact CE2-CG 4.33Å; F1254-K1258 PolarHBondContact O-N 3.1Å; F1255-K1258 HydrophobicContact CD1-CD 4.38Å; F1255-K1258 PolarHBondContact O-N 3.42Å; K1258-V1261 PolarHBondContact O-N 2.96Å; K1258-K1262 WeakPolarHBondContact O-CB 3.35Å; K1258-K1262 PolarHBondContact O-N 3.17Å; K1258-F1274 WeakPolarHBondContact CE-O 3.09Å; K1258-F1274 HydrophobicContact CG-CE1 4.43Å; K1258-F1274 HydrophobicContact CG-CE2 4.06Å; K1258-F1274 HydrophobicContact CG-CZ 3.67Å; K1258-F1274 PolarHBondContact NZ-O 2.76Å; K1258-F1276 HydrophobicContact CB-CD1 3.67Å; K1258-F1276 HydrophobicContact CB-CE1 3.9Å; K1258-F1276 HydrophobicContact CB-CG 4.19Å; K1258-F1276 HydrophobicContact CD-CB 3.74Å; K1258-F1276 HydrophobicContact CD-CD1 4.14Å; K1258-F1276 HydrophobicContact CD-CG 4.14Å; K1258-F1276 HydrophobicContact CG-CB 4.05Å; K1258-F1276 HydrophobicContact CG-CD1 3.94Å; K1258-F1276 HydrophobicContact CG-CG 3.97Å
1259D97.9Very high95.3Very high16 Ų1619.9 Ų19.99%0.08610%0.101CC..Hα-helixtrans-65.2-44.8175.7-167.853.7000112.6Y906 R955 G979 I980 F1255 A1256 L1257 V1261 K1262 S1263Y906-D1259 WeakPolarHBondContact OH-CA 3.15Å; R955-D1259 IonicContact CZ-OD2 3.3Å; R955-D1259 IonicContact NH1-OD1 3Å; R955-D1259 IonicContact NH1-OD2 2.91Å; R955-D1259 PolarHBondContact NH1-OD2 3.47Å; G979-D1259 WeakPolarHBondContact CA-OD2 3.13Å; I980-D1259 PolarHBondContact N-OD2 3.23Å; I980-D1259 VanDerWaalsContact N-OD2 3.1Å; F1255-D1259 WeakPolarHBondContact O-CB 3.35Å; F1255-D1259 PolarHBondContact O-N 3.27Å; A1256-D1259 WeakPolarHBondContact O-CB 3.45Å; A1256-D1259 PolarHBondContact O-N 3.24Å; L1257-D1259 VanDerWaalsContact C-N 3.25Å; L1257-D1259 PolarHBondContact O-N 3.38Å; D1259-V1261 PolarHBondContact O-N 3.47Å; D1259-K1262 WeakPolarHBondContact O-CB 3.23Å; D1259-K1262 PolarHBondContact O-N 2.91Å; D1259-S1263 PolarHBondContact O-N 2.78Å; D1259-S1263 VanDerWaalsContact O-N 3.15Å
1260A96.4Very high94.9Very high1 Ų122.7 Ų22.71%0.00812%0.116CC..Hα-helixtrans-62.4-43174.100000112.1K977 V1145 V1147 A1256 L1257 S1263 A1264K977-A1260 HydrophobicContact CB-CB 4.2Å; K977-A1260 WeakPolarHBondContact CB-O 2.96Å; V1145-A1260 HydrophobicContact CG2-CB 4.38Å; V1147-A1260 HydrophobicContact CB-CB 4.27Å; V1147-A1260 HydrophobicContact CG2-CB 3.79Å; A1256-A1260 PolarHBondContact O-N 3.43Å; L1257-A1260 PolarHBondContact O-N 3.19Å; A1260-S1263 WeakPolarHBondContact O-CB 3.16Å; A1260-S1263 PolarHBondContact O-N 3.42Å; A1260-A1264 PolarHBondContact O-N 2.94Å
1261V96Very high94.6Very high1 Ų128.3 Ų28.31%0.00615%0.146CC..Hα-helixtrans-67-37.8177.4172.60000111.2L1257 K1258 D1259 S1263 A1264 R1265 F1274 F1276 I1285 L1288L1257-V1261 WeakPolarHBondContact O-CB 3.21Å; L1257-V1261 VanDerWaalsContact O-CG2 3.31Å; L1257-V1261 WeakPolarHBondContact O-CG2 3.44Å; L1257-V1261 PolarHBondContact O-N 3.11Å; K1258-V1261 PolarHBondContact O-N 2.96Å; D1259-V1261 PolarHBondContact O-N 3.47Å; V1261-S1263 VanDerWaalsContact C-N 3.28Å; V1261-S1263 PolarHBondContact O-N 3.04Å; V1261-A1264 PolarHBondContact O-N 2.99Å; V1261-R1265 HydrophobicContact CG1-CG 4.22Å; V1261-R1265 WeakPolarHBondContact O-CB 3.42Å; V1261-R1265 VanDerWaalsContact O-CG 3.24Å; V1261-R1265 WeakPolarHBondContact O-CG 3.48Å; V1261-R1265 PolarHBondContact O-N 2.85Å; V1261-F1274 HydrophobicContact CB-CZ 4.27Å; V1261-F1274 HydrophobicContact CG1-CE2 3.93Å; V1261-F1274 HydrophobicContact CG1-CZ 3.91Å; V1261-F1276 HydrophobicContact CG2-CE2 4.35Å; V1261-I1285 HydrophobicContact CG2-CG2 3.94Å; V1261-L1288 HydrophobicContact CG1-CB 3.86Å
1262K95.3Very high94.2Very high25 Ų2530 Ų3011%0.10916%0.163CC..Hα-helixtrans-54.9-47.6171.7175.7-176.5169.7-176.80110.4Y906 D909 K1258 D1259 A1264 R1265 Q1266 F1274Y906-K1262 HydrophobicContact CD1-CD 3.74Å; Y906-K1262 HydrophobicContact CD2-CD 4Å; Y906-K1262 HydrophobicContact CE1-CD 3.45Å; Y906-K1262 VanDerWaalsContact CE1-CD 3.45Å; Y906-K1262 HydrophobicContact CE2-CB 4.14Å; Y906-K1262 HydrophobicContact CE2-CD 3.74Å; Y906-K1262 HydrophobicContact CE2-CG 4.3Å; Y906-K1262 HydrophobicContact CG-CD 4Å; Y906-K1262 VanDerWaalsContact CZ-CD 3.45Å; D909-K1262 IonicContact OD1-NZ 3.97Å; K1258-K1262 WeakPolarHBondContact O-CB 3.35Å; K1258-K1262 PolarHBondContact O-N 3.17Å; D1259-K1262 WeakPolarHBondContact O-CB 3.23Å; D1259-K1262 PolarHBondContact O-N 2.91Å; K1262-A1264 PolarHBondContact O-N 2.77Å; K1262-R1265 WeakPolarHBondContact O-CB 3.47Å; K1262-R1265 PolarHBondContact O-N 3.14Å; K1262-Q1266 HydrophobicContact CG-CG 4.48Å; K1262-Q1266 WeakPolarHBondContact O-CG 3.46Å; K1262-Q1266 PolarHBondContact O-N 3.12Å; K1262-F1274 HydrophobicContact CB-CE1 4.03Å
1263S93.5Very high94Very high12 Ų1232.5 Ų32.58%0.08418%0.18CC..Hα-helixtrans-61-43.7178.8-169.10000112.2N962 D1259 A1260 V1261 R1265 Q1266 D1267N962-S1263 WeakPolarHBondContact CB-OG 3.31Å; N962-S1263 VanDerWaalsContact CG-OG 3.31Å; N962-S1263 PolarHBondContact ND2-OG 3.25Å; D1259-S1263 PolarHBondContact O-N 2.78Å; D1259-S1263 VanDerWaalsContact O-N 3.15Å; A1260-S1263 WeakPolarHBondContact O-CB 3.16Å; A1260-S1263 PolarHBondContact O-N 3.42Å; V1261-S1263 VanDerWaalsContact C-N 3.28Å; V1261-S1263 PolarHBondContact O-N 3.04Å; S1263-R1265 VanDerWaalsContact C-N 3.33Å; S1263-R1265 PolarHBondContact O-N 3.15Å; S1263-Q1266 PolarHBondContact O-N 2.62Å; S1263-D1267 PolarHBondContact O-N 3.42Å
1264A90.8Very high93.8Very high4 Ų433.4 Ų33.43%0.03318%0.183CC..Hα-helixtrans-61.8-39.6173.800000112.6K977 A1260 V1261 K1262 D1267 N1268 C1289K977-A1264 HydrophobicContact CG-CB 3.97Å; A1260-A1264 PolarHBondContact O-N 2.94Å; V1261-A1264 PolarHBondContact O-N 2.99Å; K1262-A1264 PolarHBondContact O-N 2.77Å; A1264-D1267 PolarHBondContact O-N 2.77Å; A1264-N1268 PolarHBondContact O-N 3.38Å; A1264-N1268 PolarHBondContact O-ND2 3.3Å; A1264-C1289 HydrophobicContact CB-CB 4.23Å
1265R92.6Very high93.6Very high39 Ų3938.2 Ų38.215%0.14720%0.201CC..Hα-helixtrans-67-39.3178.3-74.4176.567.875.72112.1V1261 K1262 S1263 D1267 N1268 N1269 L1270 L1288V1261-R1265 HydrophobicContact CG1-CG 4.22Å; V1261-R1265 WeakPolarHBondContact O-CB 3.42Å; V1261-R1265 VanDerWaalsContact O-CG 3.24Å; V1261-R1265 WeakPolarHBondContact O-CG 3.48Å; V1261-R1265 PolarHBondContact O-N 2.85Å; K1262-R1265 WeakPolarHBondContact O-CB 3.47Å; K1262-R1265 PolarHBondContact O-N 3.14Å; S1263-R1265 VanDerWaalsContact C-N 3.33Å; S1263-R1265 PolarHBondContact O-N 3.15Å; R1265-D1267 VanDerWaalsContact C-N 3.34Å; R1265-D1267 PolarHBondContact O-N 3.05Å; R1265-N1268 CarbonylContact O-C 3.57Å; R1265-N1268 VanDerWaalsContact O-C 3.31Å; R1265-N1268 WeakPolarHBondContact O-CA 3.36Å; R1265-N1268 PolarHBondContact O-N 3.34Å; R1265-N1269 PolarHBondContact O-N 2.9Å; R1265-L1270 CarbonylContact C-O 3.48Å; R1265-L1270 HydrophobicContact CB-CB 3.96Å; R1265-L1270 WeakPolarHBondContact CB-O 3.45Å; R1265-L1270 HydrophobicContact CG-CB 4.45Å; R1265-L1270 WeakPolarHBondContact O-CA 3.45Å; R1265-L1270 WeakPolarHBondContact O-CB 3.27Å; R1265-L1270 PolarHBondContact O-N 3.46Å; R1265-L1288 VanDerWaalsContact CD-O 3.28Å; R1265-L1288 WeakPolarHBondContact CD-O 3.41Å; R1265-L1288 WeakPolarHBondContact CG-O 3.2Å; R1265-L1288 PolarHBondContact NH1-O 3.38Å
1266Q91.1Very high93.5Very high74 Ų7438.2 Ų38.235%0.34620%0.202SC..Hα-helixtrans-60.6-42.9176.1-74.4177.2-38.600111.7K1262 S1263 N1268 N1269K1262-Q1266 HydrophobicContact CG-CG 4.48Å; K1262-Q1266 WeakPolarHBondContact O-CG 3.46Å; K1262-Q1266 PolarHBondContact O-N 3.12Å; S1263-Q1266 PolarHBondContact O-N 2.62Å; Q1266-N1268 PolarHBondContact O-N 3.37Å; Q1266-N1269 PolarHBondContact O-N 3.43Å
1267D86.1Confident93.3Very high64 Ų6439.8 Ų39.834%0.34221%0.21SC..Hα-helixtrans-60.2-30.7173.7-76.217.8000112.6F974 K977 S1263 A1264 R1265 N1269F974-D1267 HydrophobicContact CE2-CB 4.26Å; F974-D1267 HydrophobicContact CZ-CB 4.46Å; K977-D1267 WeakPolarHBondContact CE-OD2 3.36Å; K977-D1267 VanDerWaalsContact NZ-CG 3.29Å; K977-D1267 IonicContact NZ-OD1 2.75Å; K977-D1267 PolarHBondContact NZ-OD1 3.28Å; K977-D1267 IonicContact NZ-OD2 3.48Å; K977-D1267 PolarHBondContact NZ-OD2 3.43Å; S1263-D1267 PolarHBondContact O-N 3.42Å; A1264-D1267 PolarHBondContact O-N 2.77Å; R1265-D1267 VanDerWaalsContact C-N 3.34Å; R1265-D1267 PolarHBondContact O-N 3.05Å; D1267-N1269 VanDerWaalsContact C-N 3.33Å
1268N85.8Confident93.2Very high40 Ų4039.9 Ų39.921%0.21421%0.211CC..THydrogen-bonded Turntrans-91.515.7175.7-66.4-42.1000113.4A1264 R1265 Q1266 L1270 C1289A1264-N1268 PolarHBondContact O-N 3.38Å; A1264-N1268 PolarHBondContact O-ND2 3.3Å; R1265-N1268 CarbonylContact O-C 3.57Å; R1265-N1268 VanDerWaalsContact O-C 3.31Å; R1265-N1268 WeakPolarHBondContact O-CA 3.36Å; R1265-N1268 PolarHBondContact O-N 3.34Å; Q1266-N1268 PolarHBondContact O-N 3.37Å; N1268-L1270 PolarHBondContact O-N 2.76Å; N1268-C1289 PolarHBondContact ND2-O 3.25Å
1269N89.7Confident93.2Very high137 Ų13740 Ų4073%0.73321%0.212SC*.THydrogen-bonded Turntrans60.625.4-179.5-55.8-66.8000115.2R1265 Q1266 D1267R1265-N1269 PolarHBondContact O-N 2.9Å; Q1266-N1269 PolarHBondContact O-N 3.43Å; D1267-N1269 VanDerWaalsContact C-N 3.33Å
1270L91.3Very high93.1Very high58 Ų5839.2 Ų39.230%0.30421%0.208SC..  trans-102.994.3176.6-61.7175.5000110.1R1265 N1268R1265-L1270 CarbonylContact C-O 3.48Å; R1265-L1270 HydrophobicContact CB-CB 3.96Å; R1265-L1270 WeakPolarHBondContact CB-O 3.45Å; R1265-L1270 HydrophobicContact CG-CB 4.45Å; R1265-L1270 WeakPolarHBondContact O-CA 3.45Å; R1265-L1270 WeakPolarHBondContact O-CB 3.27Å; R1265-L1270 PolarHBondContact O-N 3.46Å; N1268-L1270 PolarHBondContact O-N 2.76Å
1271N90.7Very high93.1Very high119 Ų11939.2 Ų39.264%0.63621%0.207SC*.  trans-100.4163.1-175.5-65-50.2000113.5
1272G91.2Very high93.1Very high34 Ų3439.5 Ų39.535%0.35121%0.209SC..SBendtrans91179.8175.200000114.9
1273P93.9Very high93Very high54 Ų5440.4 Ų40.435%0.35121%0.214SC..  trans-65.5144.6179.227.2-33.8000111.4L696 D903L696-P1273 HydrophobicContact CD1-CG 4.26Å; D903-P1273 HydrophobicContact CB-CB 3.84Å
1274F95.6Very high93.1Very high18 Ų1842.2 Ų42.28%0.07922%0.22CC..  trans-141.9149.8178.165.4-84.6000110.7Y906 K1258 V1261 K1262 F1276Y906-F1274 HydrophobicContact CD2-CE1 4.45Å; Y906-F1274 HydrophobicContact CE2-CE1 4.11Å; K1258-F1274 WeakPolarHBondContact CE-O 3.09Å; K1258-F1274 HydrophobicContact CG-CE1 4.43Å; K1258-F1274 HydrophobicContact CG-CE2 4.06Å; K1258-F1274 HydrophobicContact CG-CZ 3.67Å; K1258-F1274 PolarHBondContact NZ-O 2.76Å; V1261-F1274 HydrophobicContact CB-CZ 4.27Å; V1261-F1274 HydrophobicContact CG1-CE2 3.93Å; V1261-F1274 HydrophobicContact CG1-CZ 3.91Å; K1262-F1274 HydrophobicContact CB-CE1 4.03Å; F1274-F1276 HydrophobicContact CE2-CB 4.33Å; F1274-F1276 AromaticContact CE2-CD2 3.93Å; F1274-F1276 HydrophobicContact CE2-CD2 3.93Å; F1274-F1276 HydrophobicContact CE2-CG 4.41Å; F1274-F1276 PolarHBondContact O-N 3.46Å
1275R93.9Very high93.4Very high101 Ų10142 Ų4238%0.38122%0.219SC..  trans-70.8129.4179.3180172171178-3.4110.8D699 D1277D699-R1275 WeakPolarHBondContact O-CD 3.33Å; R1275-D1277 IonicContact CZ-OD1 2.68Å; R1275-D1277 IonicContact CZ-OD2 3.88Å; R1275-D1277 VanDerWaalsContact NE-CG 3.28Å; R1275-D1277 IonicContact NE-OD1 3.11Å; R1275-D1277 PolarHBondContact NE-OD1 2.98Å; R1275-D1277 IonicContact NE-OD2 3.2Å; R1275-D1277 PolarHBondContact NE-OD2 3.35Å; R1275-D1277 IonicContact NH2-OD1 3.87Å; R1275-D1277 PolarHBondContact NH2-OD1 3.21Å; R1275-D1277 IonicContact NH2-OD2 3.54Å; R1275-D1277 PolarHBondContact NH2-OD2 3.44Å
1276F95.6Very high93.4Very high4 Ų440.2 Ų40.22%0.01821%0.212CC..  trans-130.4112.8176.4-156.9-122.2000107.1F1254 L1257 K1258 V1261 F1274 A1280 I1285 L1288F1254-F1276 HydrophobicContact CD1-CD1 4.19Å; F1254-F1276 AromaticContact CD2-CD1 3.93Å; F1254-F1276 HydrophobicContact CD2-CD1 3.93Å; F1254-F1276 AromaticContact CD2-CE1 3.8Å; F1254-F1276 HydrophobicContact CD2-CE1 3.8Å; F1254-F1276 AromaticContact CE1-CD1 3.69Å; F1254-F1276 HydrophobicContact CE1-CD1 3.69Å; F1254-F1276 HydrophobicContact CE1-CE1 4.42Å; F1254-F1276 AromaticContact CE2-CD1 3.41Å; F1254-F1276 HydrophobicContact CE2-CD1 3.41Å; F1254-F1276 VanDerWaalsContact CE2-CD1 3.41Å; F1254-F1276 AromaticContact CE2-CE1 3.68Å; F1254-F1276 HydrophobicContact CE2-CE1 3.68Å; F1254-F1276 HydrophobicContact CE2-CG 4.33Å; F1254-F1276 HydrophobicContact CG-CD1 4.31Å; F1254-F1276 HydrophobicContact CG-CE1 4.26Å; F1254-F1276 HydrophobicContact CZ-CB 4.21Å; F1254-F1276 AromaticContact CZ-CD1 3.29Å; F1254-F1276 HydrophobicContact CZ-CD1 3.29Å; F1254-F1276 HydrophobicContact CZ-CE1 4.03Å; F1254-F1276 HydrophobicContact CZ-CG 4.07Å; F1254-F1276 WeakPolarHBondContact CZ-O 3.18Å; F1254-F1276 WeakPolarHBondContact O-CE1 3.45Å; L1257-F1276 HydrophobicContact CB-CE1 4.22Å; L1257-F1276 HydrophobicContact CB-CZ 4.13Å; K1258-F1276 HydrophobicContact CB-CD1 3.67Å; K1258-F1276 HydrophobicContact CB-CE1 3.9Å; K1258-F1276 HydrophobicContact CB-CG 4.19Å; K1258-F1276 HydrophobicContact CD-CB 3.74Å; K1258-F1276 HydrophobicContact CD-CD1 4.14Å; K1258-F1276 HydrophobicContact CD-CG 4.14Å; K1258-F1276 HydrophobicContact CG-CB 4.05Å; K1258-F1276 HydrophobicContact CG-CD1 3.94Å; K1258-F1276 HydrophobicContact CG-CG 3.97Å; V1261-F1276 HydrophobicContact CG2-CE2 4.35Å; F1274-F1276 HydrophobicContact CE2-CB 4.33Å; F1274-F1276 AromaticContact CE2-CD2 3.93Å; F1274-F1276 HydrophobicContact CE2-CD2 3.93Å; F1274-F1276 HydrophobicContact CE2-CG 4.41Å; F1274-F1276 PolarHBondContact O-N 3.46Å; F1276-A1280 HydrophobicContact CD1-CB 4.37Å; F1276-A1280 HydrophobicContact CE1-CB 3.48Å; F1276-A1280 VanDerWaalsContact CE1-CB 3.48Å; F1276-A1280 HydrophobicContact CE2-CB 4.34Å; F1276-A1280 HydrophobicContact CZ-CB 3.46Å; F1276-A1280 VanDerWaalsContact CZ-CB 3.46Å; F1276-I1285 HydrophobicContact CZ-CG1 4.35Å; F1276-L1288 HydrophobicContact CD2-CD1 3.45Å; F1276-L1288 VanDerWaalsContact CD2-CD1 3.45Å; F1276-L1288 HydrophobicContact CE2-CD1 3.8Å
1277D95.4Very high93.6Very high32 Ų3238.9 Ų38.917%0.17121%0.206CC..PPolyproline II helixtrans-100.8144.5-173.8-74.3-25.4000110.8K701 R1275 P1279 A1280K701-D1277 HydrophobicContact CB-CB 4.1Å; K701-D1277 PolarHBondContact N-OD1 3.05Å; R1275-D1277 IonicContact CZ-OD1 2.68Å; R1275-D1277 IonicContact CZ-OD2 3.88Å; R1275-D1277 VanDerWaalsContact NE-CG 3.28Å; R1275-D1277 IonicContact NE-OD1 3.11Å; R1275-D1277 PolarHBondContact NE-OD1 2.98Å; R1275-D1277 IonicContact NE-OD2 3.2Å; R1275-D1277 PolarHBondContact NE-OD2 3.35Å; R1275-D1277 IonicContact NH2-OD1 3.87Å; R1275-D1277 PolarHBondContact NH2-OD1 3.21Å; R1275-D1277 IonicContact NH2-OD2 3.54Å; R1275-D1277 PolarHBondContact NH2-OD2 3.44Å; D1277-P1279 CarbonylContact O-C 3.51Å; D1277-P1279 VanDerWaalsContact O-C 3.31Å; D1277-A1280 PolarHBondContact O-N 2.85Å
1278S96.6Very high94Very high3 Ų338 Ų382%0.02120%0.202CC..BIsolated β-bridgetrans-87.1138.2173.21710000111K701 G703 L1188K701-S1278 PolarHBondContact O-N 3.25Å; G703-S1278 PolarHBondContact N-O 3.4Å; L1188-S1278 PolarHBondContact O-OG 2.85Å
1279P97.4Very high94.2Very high4 Ų436.2 Ų36.23%0.02619%0.192CC..SBendcis-73.4141.2-5.831-39000112.1F1189 E1192 E1193 D1277 T1281 K1284F1189-P1279 CarbonylContact O-C 3.5Å; F1189-P1279 WeakPolarHBondContact O-CA 3.46Å; E1192-P1279 VanDerWaalsContact O-CG 3.27Å; E1192-P1279 WeakPolarHBondContact O-CG 3.48Å; E1193-P1279 HydrophobicContact CB-CG 3.91Å; E1193-P1279 HydrophobicContact CG-CG 4.12Å; D1277-P1279 CarbonylContact O-C 3.51Å; D1277-P1279 VanDerWaalsContact O-C 3.31Å; P1279-T1281 VanDerWaalsContact C-N 3.26Å; P1279-T1281 HydrophobicContact CB-CG2 4.18Å; P1279-T1281 HydrophobicContact CG-CG2 3.92Å; P1279-T1281 PolarHBondContact O-N 3.15Å; P1279-K1284 WeakPolarHBondContact O-CD 3.38Å; P1279-K1284 PolarHBondContact O-NZ 3.35Å
1280A97.2Very high94.1Very high0 Ų030.3 Ų30.30%016%0.164CC..  trans-77.570.7172.100000111.4F1189 T1190 F1254 L1257 F1276 D1277 I1285F1189-A1280 PolarHBondContact O-N 3.48Å; T1190-A1280 CarbonylContact O-C 3.58Å; T1190-A1280 VanDerWaalsContact O-C 3.25Å; T1190-A1280 VanDerWaalsContact O-O 3.12Å; F1254-A1280 HydrophobicContact CD2-CB 3.6Å; F1254-A1280 HydrophobicContact CE2-CB 3.75Å; L1257-A1280 HydrophobicContact CD1-CB 4.44Å; F1276-A1280 HydrophobicContact CD1-CB 4.37Å; F1276-A1280 HydrophobicContact CE1-CB 3.48Å; F1276-A1280 VanDerWaalsContact CE1-CB 3.48Å; F1276-A1280 HydrophobicContact CE2-CB 4.34Å; F1276-A1280 HydrophobicContact CZ-CB 3.46Å; F1276-A1280 VanDerWaalsContact CZ-CB 3.46Å; D1277-A1280 PolarHBondContact O-N 2.85Å; A1280-I1285 VanDerWaalsContact O-CD1 3.29Å; A1280-I1285 WeakPolarHBondContact O-CD1 3.46Å
1281T95.6Very high93.8Very high1 Ų128.4 Ų28.41%0.00615%0.154CC..  trans-66.1162.6179.858.10000112.1T1190 E1193 P1279 E1283 K1284 I1285T1190-T1281 VanDerWaalsContact O-CA 3.29Å; T1190-T1281 WeakPolarHBondContact O-CA 3.43Å; T1190-T1281 PolarHBondContact O-N 3.33Å; E1193-T1281 HydrophobicContact CB-CG2 4.23Å; P1279-T1281 VanDerWaalsContact C-N 3.26Å; P1279-T1281 HydrophobicContact CB-CG2 4.18Å; P1279-T1281 HydrophobicContact CG-CG2 3.92Å; P1279-T1281 PolarHBondContact O-N 3.15Å; T1281-E1283 PolarHBondContact O-N 3.05Å; T1281-K1284 PolarHBondContact O-N 3.26Å; T1281-I1285 WeakPolarHBondContact O-CG1 3.39Å; T1281-I1285 PolarHBondContact O-N 3.4Å
1282C95Very high93.4Very high7 Ų726.8 Ų26.85%0.04715%0.149CC..Hα-helixtrans-53.9-35.6174.855.10000112.9S388 Y469 G1152 R1286S388-C1282 PolarHBondContact O-SG 3Å; Y469-C1282 WeakPolarHBondContact OH-CB 3.04Å; Y469-C1282 PolarHBondContact OH-SG 3.3Å; G1152-C1282 WeakPolarHBondContact CA-O 3.34Å; G1152-C1282 VanDerWaalsContact O-CA 3.27Å; G1152-C1282 WeakPolarHBondContact O-CA 3.46Å; G1152-C1282 WeakPolarHBondContact O-CB 3.26Å; C1282-R1286 VanDerWaalsContact O-CB 3.28Å; C1282-R1286 WeakPolarHBondContact O-CB 3.24Å; C1282-R1286 PolarHBondContact O-N 3.25Å
1283E94.9Very high93.1Very high43 Ų4326.4 Ų26.420%0.20114%0.139CC..Hα-helixtrans-55.3-57.7170171.4177.9-140.100111.7M466 Y469 T1281 I1285 R1286 M1287M466-E1283 WeakPolarHBondContact CA-OE1 3.3Å; M466-E1283 WeakPolarHBondContact CB-OE1 3.48Å; M466-E1283 HydrophobicContact CE-CB 4.23Å; M466-E1283 VanDerWaalsContact CE-OE2 3.29Å; M466-E1283 WeakPolarHBondContact CE-OE2 3.37Å; M466-E1283 WeakPolarHBondContact CG-OE1 2.92Å; Y469-E1283 HydrophobicContact CD1-CB 3.57Å; Y469-E1283 HydrophobicContact CD1-CG 3.98Å; Y469-E1283 HydrophobicContact CE1-CB 3.88Å; Y469-E1283 HydrophobicContact CG-CB 3.93Å; Y469-E1283 HydrophobicContact CG-CG 3.95Å; T1281-E1283 PolarHBondContact O-N 3.05Å; E1283-I1285 VanDerWaalsContact C-N 3.34Å; E1283-I1285 PolarHBondContact O-N 3.47Å; E1283-R1286 PolarHBondContact O-N 3.01Å; E1283-M1287 WeakPolarHBondContact O-CB 3.41Å; E1283-M1287 VanDerWaalsContact O-CG 3.29Å; E1283-M1287 WeakPolarHBondContact O-CG 3.42Å; E1283-M1287 PolarHBondContact O-N 3.38Å
1284K94.9Very high92.6Very high51 Ų5124 Ų2422%0.22212%0.124CC..Hα-helixtrans-64.9-41-175.1-67.1170.7-161.9151.70111.2E1193 P1279 T1281 L1288E1193-K1284 IonicContact OE1-NZ 3.55Å; E1193-K1284 PolarHBondContact OE1-NZ 2.9Å; P1279-K1284 WeakPolarHBondContact O-CD 3.38Å; P1279-K1284 PolarHBondContact O-NZ 3.35Å; T1281-K1284 PolarHBondContact O-N 3.26Å; K1284-L1288 VanDerWaalsContact O-CB 3.26Å; K1284-L1288 WeakPolarHBondContact O-CB 3.41Å; K1284-L1288 WeakPolarHBondContact O-CD1 3.48Å; K1284-L1288 WeakPolarHBondContact O-CG 3.23Å; K1284-L1288 PolarHBondContact O-N 2.95Å
1285I96.4Very high91.9Very high0 Ų029 Ų290%015%0.147CC..Hα-helixtrans-58.3-54.1175.7-66.2167.4000109.7V1147 L1257 V1261 F1276 A1280 T1281 E1283 M1287 L1288 C1289V1147-I1285 HydrophobicContact CG1-CG2 3.43Å; V1147-I1285 VanDerWaalsContact CG1-CG2 3.43Å; L1257-I1285 HydrophobicContact CD1-CD1 4.16Å; L1257-I1285 HydrophobicContact CD2-CD1 4.15Å; V1261-I1285 HydrophobicContact CG2-CG2 3.94Å; F1276-I1285 HydrophobicContact CZ-CG1 4.35Å; A1280-I1285 VanDerWaalsContact O-CD1 3.29Å; A1280-I1285 WeakPolarHBondContact O-CD1 3.46Å; T1281-I1285 WeakPolarHBondContact O-CG1 3.39Å; T1281-I1285 PolarHBondContact O-N 3.4Å; E1283-I1285 VanDerWaalsContact C-N 3.34Å; E1283-I1285 PolarHBondContact O-N 3.47Å; I1285-M1287 PolarHBondContact O-N 3.33Å; I1285-L1288 PolarHBondContact O-N 3.11Å; I1285-C1289 PolarHBondContact O-N 2.87Å; I1285-C1289 PolarHBondContact O-SG 3.4Å; I1285-C1289 VanDerWaalsContact O-SG 3.37Å
1286R94Very high91Very high0 Ų029 Ų290%015%0.15CC..Hα-helixtrans-60.1-45-176.7176.156.8-175.495.5-11.8112.5Y469 T472 S476 C1149 L1150 C1282 E1283 L1288 D1291Y469-R1286 HydrophobicContact CD2-CB 3.83Å; Y469-R1286 HydrophobicContact CD2-CG 3.82Å; Y469-R1286 HydrophobicContact CE2-CB 3.44Å; Y469-R1286 VanDerWaalsContact CE2-CB 3.44Å; Y469-R1286 HydrophobicContact CE2-CG 3.65Å; T472-R1286 HydrophobicContact CG2-CG 4.31Å; T472-R1286 VanDerWaalsContact CG2-CZ 3.41Å; S476-R1286 PolarHBondContact OG-NE 3.25Å; S476-R1286 PolarHBondContact OG-NH2 2.83Å; C1149-R1286 WeakPolarHBondContact O-CD 3.33Å; C1149-R1286 PolarHBondContact O-NE 3.14Å; L1150-R1286 VanDerWaalsContact O-CD 3.26Å; L1150-R1286 WeakPolarHBondContact O-CD 3.38Å; L1150-R1286 PolarHBondContact O-NE 2.67Å; C1282-R1286 VanDerWaalsContact O-CB 3.28Å; C1282-R1286 WeakPolarHBondContact O-CB 3.24Å; C1282-R1286 PolarHBondContact O-N 3.25Å; E1283-R1286 PolarHBondContact O-N 3.01Å; R1286-L1288 VanDerWaalsContact C-N 3.32Å; R1286-D1291 IonicContact CZ-OD1 3.12Å; R1286-D1291 VanDerWaalsContact CZ-OD1 3.29Å; R1286-D1291 IonicContact CZ-OD2 3.69Å; R1286-D1291 VanDerWaalsContact CZ-OD2 3.25Å; R1286-D1291 VanDerWaalsContact NH1-CG 3.32Å; R1286-D1291 IonicContact NH1-OD1 2.66Å; R1286-D1291 PolarHBondContact NH1-OD1 2.86Å; R1286-D1291 IonicContact NH1-OD2 3.55Å; R1286-D1291 PolarHBondContact NH1-OD2 3.06Å; R1286-D1291 IonicContact NH2-OD1 2.7Å; R1286-D1291 PolarHBondContact NH2-OD1 3.23Å; R1286-D1291 IonicContact NH2-OD2 2.65Å; R1286-D1291 PolarHBondContact NH2-OD2 3.06Å
1287M93.8Very high89.8Confident47 Ų4729.4 Ų29.423%0.23215%0.153CC..Hα-helixtrans-71.1-30-177-64.2-51-63.100111.9A468 Y469 E1283 I1285 A1294A468-M1287 HydrophobicContact CB-CE 4.09Å; Y469-M1287 HydrophobicContact CD2-SD 4.48Å; E1283-M1287 WeakPolarHBondContact O-CB 3.41Å; E1283-M1287 VanDerWaalsContact O-CG 3.29Å; E1283-M1287 WeakPolarHBondContact O-CG 3.42Å; E1283-M1287 PolarHBondContact O-N 3.38Å; I1285-M1287 PolarHBondContact O-N 3.33Å; M1287-A1294 HydrophobicContact CE-CB 4.2Å
1288L94.9Very high88Confident46 Ų4630.4 Ų30.424%0.24116%0.162CC..Hα-helixtrans-80.3-18.7179.9-72.9173.3000114.5V1261 R1265 F1276 K1284 I1285 R1286 G1290V1261-L1288 HydrophobicContact CG1-CB 3.86Å; R1265-L1288 VanDerWaalsContact CD-O 3.28Å; R1265-L1288 WeakPolarHBondContact CD-O 3.41Å; R1265-L1288 WeakPolarHBondContact CG-O 3.2Å; R1265-L1288 PolarHBondContact NH1-O 3.38Å; F1276-L1288 HydrophobicContact CD2-CD1 3.45Å; F1276-L1288 VanDerWaalsContact CD2-CD1 3.45Å; F1276-L1288 HydrophobicContact CE2-CD1 3.8Å; K1284-L1288 VanDerWaalsContact O-CB 3.26Å; K1284-L1288 WeakPolarHBondContact O-CB 3.41Å; K1284-L1288 WeakPolarHBondContact O-CD1 3.48Å; K1284-L1288 WeakPolarHBondContact O-CG 3.23Å; K1284-L1288 PolarHBondContact O-N 2.95Å; I1285-L1288 PolarHBondContact O-N 3.11Å; R1286-L1288 VanDerWaalsContact C-N 3.32Å; L1288-G1290 PolarHBondContact O-N 2.9Å
1289C91.4Very high85.4Confident1 Ų140.5 Ų40.51%0.00720%0.201CC..THydrogen-bonded Turntrans-57.2-31.8170.6-69.30000112.3A1264 N1268 I1285A1264-C1289 HydrophobicContact CB-CB 4.23Å; N1268-C1289 PolarHBondContact ND2-O 3.25Å; I1285-C1289 PolarHBondContact O-N 2.87Å; I1285-C1289 PolarHBondContact O-SG 3.4Å; I1285-C1289 VanDerWaalsContact O-SG 3.37Å
1290G87Confident82.6Confident14 Ų1444 Ų4414%0.14422%0.223CC..  trans65.740.5169.400000115.1L1288L1288-G1290 PolarHBondContact O-N 2.9Å
1291D85.1Confident79.6Confident18 Ų1846.7 Ų46.710%0.09624%0.237CC..  trans-82.1165176.866.18.1000112.4R1286 L1293 A1294 E1295R1286-D1291 IonicContact CZ-OD1 3.12Å; R1286-D1291 VanDerWaalsContact CZ-OD1 3.29Å; R1286-D1291 IonicContact CZ-OD2 3.69Å; R1286-D1291 VanDerWaalsContact CZ-OD2 3.25Å; R1286-D1291 VanDerWaalsContact NH1-CG 3.32Å; R1286-D1291 IonicContact NH1-OD1 2.66Å; R1286-D1291 PolarHBondContact NH1-OD1 2.86Å; R1286-D1291 IonicContact NH1-OD2 3.55Å; R1286-D1291 PolarHBondContact NH1-OD2 3.06Å; R1286-D1291 IonicContact NH2-OD1 2.7Å; R1286-D1291 PolarHBondContact NH2-OD1 3.23Å; R1286-D1291 IonicContact NH2-OD2 2.65Å; R1286-D1291 PolarHBondContact NH2-OD2 3.06Å; D1291-L1293 PolarHBondContact O-N 3.39Å; D1291-L1293 PolarHBondContact OD1-N 3.45Å; D1291-A1294 PolarHBondContact O-N 3.04Å; D1291-A1294 PolarHBondContact OD1-N 2.96Å; D1291-A1294 VanDerWaalsContact OD1-N 3.08Å; D1291-E1295 PolarHBondContact O-N 3.45Å
1292P82.8Confident76.5Confident84 Ų8452.6 Ų52.655%0.54527%0.268SS..Hα-helixtrans-58.3-23.6-179.6-2836.1000114.6E1295 K1296P1292-E1295 PolarHBondContact O-N 2.89Å; P1292-K1296 WeakPolarHBondContact O-CG 3.48Å; P1292-K1296 PolarHBondContact O-N 3.38Å
1293L84.5Confident73.4Confident26 Ų2656.8 Ų56.814%0.13629%0.293CS..Hα-helixtrans-67-43.3175.5-66.5178.6000111.3L449 M475 L1150 D1291 E1295L449-L1293 HydrophobicContact CD1-CD2 4.15Å; M475-L1293 HydrophobicContact CB-CD2 4.29Å; M475-L1293 VanDerWaalsContact CE-O 3.24Å; M475-L1293 WeakPolarHBondContact CE-O 3.45Å; L1150-L1293 HydrophobicContact CD2-CD1 4.01Å; D1291-L1293 PolarHBondContact O-N 3.39Å; D1291-L1293 PolarHBondContact OD1-N 3.45Å; L1293-E1295 VanDerWaalsContact C-N 3.34Å
1294A83.5Confident70.2Confident4 Ų459.3 Ų59.33%0.03331%0.308CS..Hα-helixtrans-66.6-37.6176.300000111.5T472 M1287 D1291 K1296 V1297 C1298T472-A1294 HydrophobicContact CG2-CB 4.26Å; M1287-A1294 HydrophobicContact CE-CB 4.2Å; D1291-A1294 PolarHBondContact O-N 3.04Å; D1291-A1294 PolarHBondContact OD1-N 2.96Å; D1291-A1294 VanDerWaalsContact OD1-N 3.08Å; A1294-K1296 VanDerWaalsContact C-N 3.31Å; A1294-K1296 PolarHBondContact O-N 3.47Å; A1294-V1297 PolarHBondContact O-N 2.99Å; A1294-V1297 VanDerWaalsContact O-N 3.12Å; A1294-C1298 PolarHBondContact O-N 2.67Å; A1294-C1298 PolarHBondContact O-SG 3.21Å
1295E80.2Confident67.1Low122 Ų12263.8 Ų63.857%0.5733%0.333SS*.Hα-helixtrans-62.3-35.1178.8-68.3-173.2161.500113.4D1291 P1292 L1293 V1297 C1298D1291-E1295 PolarHBondContact O-N 3.45Å; P1292-E1295 PolarHBondContact O-N 2.89Å; L1293-E1295 VanDerWaalsContact C-N 3.34Å; E1295-V1297 PolarHBondContact O-N 3.45Å; E1295-V1297 VanDerWaalsContact O-N 3.13Å; E1295-C1298 PolarHBondContact O-N 2.89Å
1296K73.9Confident63.7Low101 Ų10171.3 Ų71.344%0.43937%0.368SS..THydrogen-bonded Turntrans-59.3-23.9175.9-74.6-172.2-178.9-1490113.3M475 P1292 A1294M475-K1296 HydrophobicContact CE-CB 4.41Å; P1292-K1296 WeakPolarHBondContact O-CG 3.48Å; P1292-K1296 PolarHBondContact O-N 3.38Å; A1294-K1296 VanDerWaalsContact C-N 3.31Å; A1294-K1296 PolarHBondContact O-N 3.47Å
1297V72Confident60.4Low13 Ų1375.9 Ų75.98%0.07939%0.39CS..THydrogen-bonded Turntrans-95.5-32.5-178.6-163.10000112A468 M471 M475 A1294 E1295 Y1299A468-V1297 HydrophobicContact CB-CG1 4.43Å; M471-V1297 HydrophobicContact CB-CG1 3.56Å; M471-V1297 HydrophobicContact CB-CG2 4.18Å; M471-V1297 HydrophobicContact CE-CG1 3.37Å; M471-V1297 HydrophobicContact CG-CG1 4.27Å; M471-V1297 HydrophobicContact SD-CG1 3.81Å; M475-V1297 HydrophobicContact CE-CG2 3.19Å; A1294-V1297 PolarHBondContact O-N 2.99Å; A1294-V1297 VanDerWaalsContact O-N 3.12Å; E1295-V1297 PolarHBondContact O-N 3.45Å; E1295-V1297 VanDerWaalsContact O-N 3.13Å; V1297-Y1299 PolarHBondContact O-N 3.48Å
1298C56.1Low57.4Low54 Ų5476.9 Ų76.937%0.36540%0.401SS..G310 helixtrans-65.6-7.6-170.9-80.80000115.6A1294 E1295 V1300 D1301A1294-C1298 PolarHBondContact O-N 2.67Å; A1294-C1298 PolarHBondContact O-SG 3.21Å; E1295-C1298 PolarHBondContact O-N 2.89Å; C1298-V1300 PolarHBondContact O-N 3.39Å; C1298-V1300 VanDerWaalsContact O-N 3.11Å; C1298-D1301 PolarHBondContact O-N 3.35Å
1299Y43.8Very low54.6Low214 Ų21476.9 Ų76.984%0.83940%0.4SS*.G310 helixtrans-67.1-10.4-179.4-121.1-88000114.4V1297V1297-Y1299 PolarHBondContact O-N 3.48Å
1300V37.8Very low51.6Low78 Ų7880.4 Ų80.447%0.47342%0.422SS..G310 helixtrans-100.3-22.4179.9-168.20000113.3C1298C1298-V1300 PolarHBondContact O-N 3.39Å; C1298-V1300 VanDerWaalsContact O-N 3.11Å
1301D33.4Very low49Very low56 Ų5683.5 Ų83.530%0.29944%0.438SS..G310 helixtrans-91.7-10.1-172.2-89.1-27.5000115.8C1298 V1303 L1304 L1305C1298-D1301 PolarHBondContact O-N 3.35Å; D1301-V1303 PolarHBondContact O-N 3.48Å; D1301-L1304 PolarHBondContact O-N 3.1Å; D1301-L1305 PolarHBondContact O-N 3.05Å
1302L30.9Very low46.6Very low126 Ų12688.3 Ų88.366%0.6646%0.459SS*.G310 helixtrans-60.5-18.3175.8-96.4155.8000113
1303V29.5Very low44.2Very low95 Ų9589.2 Ų89.258%0.57646%0.459SS*.G310 helixtrans-77.3-29.9173.5-177.40000111.9D1301 H1306 M1307D1301-V1303 PolarHBondContact O-N 3.48Å; V1303-H1306 CarbonylContact O-C 3.21Å; V1303-M1307 HydrophobicContact CG1-CG 4.11Å; V1303-M1307 WeakPolarHBondContact O-CG 3.3Å; V1303-M1307 PolarHBondContact O-N 2.68Å
1304L28Very low41.7Very low96 Ų9692.9 Ų92.950%0.50348%0.478SS..THydrogen-bonded Turntrans-93.6-27.2-174.1-77.4165.8000114.5P460 D1301 H1306 M1307P460-L1304 HydrophobicContact CB-CD1 3.91Å; P460-L1304 HydrophobicContact CG-CD1 3.98Å; D1301-L1304 PolarHBondContact O-N 3.1Å; L1304-H1306 PolarHBondContact O-N 3.2Å; L1304-M1307 HydrophobicContact CD2-CG 4.38Å; L1304-M1307 HydrophobicContact CD2-SD 4.45Å
1305L29.3Very low39.4Very low144 Ų14497.9 Ų97.975%0.75450%0.503SS*.SBendtrans-70.3-15.3168.2-84.9157.5000112.5D1301D1301-L1305 PolarHBondContact O-N 3.05Å
1306H25.1Very low37.4Very low158 Ų15896.5 Ų96.573%0.73150%0.497SS*.SBendtrans-126.810-178.2-87.418.8000115.8V1303 L1304 P1308V1303-H1306 CarbonylContact O-C 3.21Å; L1304-H1306 PolarHBondContact O-N 3.2Å; H1306-P1308 WeakPolarHBondContact O-CD 3.33Å
1307M24.8Very low35.4Very low96 Ų9694.4 Ų94.447%0.47350%0.495SS..  trans-63.5114.1169.4-78-143.399.600109.3V1303 L1304 V1311V1303-M1307 HydrophobicContact CG1-CG 4.11Å; V1303-M1307 WeakPolarHBondContact O-CG 3.3Å; V1303-M1307 PolarHBondContact O-N 2.68Å; L1304-M1307 HydrophobicContact CD2-CG 4.38Å; L1304-M1307 HydrophobicContact CD2-SD 4.45Å; M1307-V1311 HydrophobicContact CE-CG2 3.87Å
1308P30.9Very low33.4Very low69 Ų69103.1 Ų103.145%0.44853%0.526SS..  trans-66.2144160.731.5-29000106.6H1306 V1310H1306-P1308 WeakPolarHBondContact O-CD 3.33Å; P1308-V1310 HydrophobicContact CB-CG2 4.06Å; P1308-V1310 HydrophobicContact CG-CG2 3.92Å; P1308-V1310 PolarHBondContact O-N 2.78Å
1309I36Very low32.3Very low46 Ų46104 Ų10424%0.23654%0.537CS..THydrogen-bonded Turntrans-45.912174.1-72.2159.3000115.7V1311 E1312 I1313I1309-V1311 VanDerWaalsContact C-N 3.25Å; I1309-V1311 PolarHBondContact O-N 2.86Å; I1309-E1312 PolarHBondContact O-N 2.84Å; I1309-I1313 HydrophobicContact CG2-CD1 3.54Å; I1309-I1313 HydrophobicContact CG2-CG1 3.74Å; I1309-I1313 PolarHBondContact O-N 2.9Å
1310V30Very low31.7Very low75 Ų7599.4 Ų99.446%0.45553%0.526SS..Hα-helixtrans-60.6-29.5179.61780000111.9P1308 L1314P1308-V1310 HydrophobicContact CB-CG2 4.06Å; P1308-V1310 HydrophobicContact CG-CG2 3.92Å; P1308-V1310 PolarHBondContact O-N 2.78Å; V1310-L1314 HydrophobicContact CG1-CD1 3.37Å; V1310-L1314 HydrophobicContact CG1-CG 4.08Å; V1310-L1314 WeakPolarHBondContact O-CB 3.29Å; V1310-L1314 WeakPolarHBondContact O-CD1 3.37Å; V1310-L1314 WeakPolarHBondContact O-CG 3.48Å; V1310-L1314 PolarHBondContact O-N 3.11Å
1311V30.8Very low31.4Very low79 Ų7997.9 Ų97.948%0.47952%0.522SS..Hα-helixtrans-82.4-34.4-179.2-176.80000113.7M1307 I1309 L1315M1307-V1311 HydrophobicContact CE-CG2 3.87Å; I1309-V1311 VanDerWaalsContact C-N 3.25Å; I1309-V1311 PolarHBondContact O-N 2.86Å; V1311-L1315 HydrophobicContact CG1-CD1 4.19Å; V1311-L1315 WeakPolarHBondContact O-CB 3.35Å; V1311-L1315 WeakPolarHBondContact O-CG 3.38Å; V1311-L1315 PolarHBondContact O-N 3.38Å
1312E35.6Very low31.2Very low118 Ų118100.1 Ų100.155%0.55154%0.538SS*.Hα-helixtrans-74-31.6174.2-94.8179.8156.300112.7I1309 H1316I1309-E1312 PolarHBondContact O-N 2.84Å; E1312-H1316 PolarHBondContact O-N 3.46Å; E1312-H1316 PolarHBondContact O-ND1 3.49Å
1313I33Very low31.2Very low104 Ų104101.6 Ų101.653%0.53354%0.542SS..Hα-helixtrans-80.2-29.9173.7-63.9-179.8000111.8I1309 H1316 S1317I1309-I1313 HydrophobicContact CG2-CD1 3.54Å; I1309-I1313 HydrophobicContact CG2-CG1 3.74Å; I1309-I1313 PolarHBondContact O-N 2.9Å; I1313-H1316 PolarHBondContact O-N 3.48Å; I1313-S1317 PolarHBondContact O-N 3.42Å; I1313-S1317 PolarHBondContact O-OG 3.21Å
1314L31.8Very low31.2Very low103 Ų103102.3 Ų102.354%0.53955%0.55SS..Hα-helixtrans-72.4-29.9172.7-78.8169.4000112.9V1310 S1317 R1318V1310-L1314 HydrophobicContact CG1-CD1 3.37Å; V1310-L1314 HydrophobicContact CG1-CG 4.08Å; V1310-L1314 WeakPolarHBondContact O-CB 3.29Å; V1310-L1314 WeakPolarHBondContact O-CD1 3.37Å; V1310-L1314 WeakPolarHBondContact O-CG 3.48Å; V1310-L1314 PolarHBondContact O-N 3.11Å; L1314-S1317 VanDerWaalsContact CA-OG 3.3Å; L1314-S1317 WeakPolarHBondContact CA-OG 3.32Å; L1314-S1317 PolarHBondContact O-OG 3.24Å; L1314-R1318 PolarHBondContact O-N 3.44Å
1315L34.5Very low31.2Very low109 Ų109105 Ų10557%0.57156%0.564SS**Hα-helixtrans-72.2-32.6170.1-73166.9000111.8V1311 R1318 A1319V1311-L1315 HydrophobicContact CG1-CD1 4.19Å; V1311-L1315 WeakPolarHBondContact O-CB 3.35Å; V1311-L1315 WeakPolarHBondContact O-CG 3.38Å; V1311-L1315 PolarHBondContact O-N 3.38Å; L1315-R1318 PolarHBondContact O-N 3.46Å; L1315-A1319 PolarHBondContact O-N 3.22Å
1316H39.1Very low31.3Very low93 Ų93103.9 Ų103.943%0.43156%0.563SS.*Hα-helixtrans-70.3-31.4172.4-86.165.8000114.1P639 E1312 I1313 R1318 A1319 L1320P639-H1316 VanDerWaalsContact CB-NE2 3.33Å; P639-H1316 WeakPolarHBondContact CB-NE2 3.49Å; P639-H1316 WeakPolarHBondContact CG-NE2 2.76Å; E1312-H1316 PolarHBondContact O-N 3.46Å; E1312-H1316 PolarHBondContact O-ND1 3.49Å; I1313-H1316 PolarHBondContact O-N 3.48Å; H1316-R1318 VanDerWaalsContact C-N 3.31Å; H1316-A1319 PolarHBondContact O-N 2.72Å; H1316-L1320 PolarHBondContact O-N 3.33Å
1317S30.9Very low31.4Very low56 Ų56107.3 Ų107.339%0.39257%0.569SS.*Hα-helixtrans-77.1-15.3175.141.30000113.3I1313 L1314 A1321I1313-S1317 PolarHBondContact O-N 3.42Å; I1313-S1317 PolarHBondContact O-OG 3.21Å; L1314-S1317 VanDerWaalsContact CA-OG 3.3Å; L1314-S1317 WeakPolarHBondContact CA-OG 3.32Å; L1314-S1317 PolarHBondContact O-OG 3.24Å; S1317-A1321 WeakPolarHBondContact O-CB 3.37Å; S1317-A1321 PolarHBondContact O-N 3.21Å
1318R31.1Very low31.5Very low196 Ų196111 Ų11174%0.7459%0.59SS**Hα-helixtrans-75.7-33165.9-92.4-175.8171.5-179.1-2.4113L1314 L1315 H1316 A1321 T1322L1314-R1318 PolarHBondContact O-N 3.44Å; L1315-R1318 PolarHBondContact O-N 3.46Å; H1316-R1318 VanDerWaalsContact C-N 3.31Å; R1318-A1321 PolarHBondContact O-N 3.49Å; R1318-T1322 PolarHBondContact O-N 2.76Å; R1318-T1322 PolarHBondContact O-OG1 3.49Å
1319A31.9Very low31.5Very low72 Ų72113.1 Ų113.160%0.59560%0.604SS**Hα-helixtrans-70.8-33.9174.200000112.5L1315 H1316L1315-A1319 PolarHBondContact O-N 3.22Å; H1316-A1319 PolarHBondContact O-N 2.72Å
1320L31.9Very low31.2Very low118 Ų118120.7 Ų120.762%0.61864%0.635SS**Hα-helixtrans-81.2-18.8172.5-83.6153.7000113.9H1316 T1322H1316-L1320 PolarHBondContact O-N 3.33Å; L1320-T1322 VanDerWaalsContact C-N 3.31Å
1321A30Very low31.3Very low46 Ų46129 Ų12938%0.3867%0.674SS.*Hα-helixtrans-76.1-17.3173.300000113.2S1317 R1318 E1323S1317-A1321 WeakPolarHBondContact O-CB 3.37Å; S1317-A1321 PolarHBondContact O-N 3.21Å; R1318-A1321 PolarHBondContact O-N 3.49Å; A1321-E1323 VanDerWaalsContact C-N 3.32Å
1322T31.2Very low31.3Very low104 Ų104131.5 Ų131.564%0.63868%0.684SS**THydrogen-bonded Turntrans-79.7-14175.1-30.20000112.8R1318 L1320R1318-T1322 PolarHBondContact O-N 2.76Å; R1318-T1322 PolarHBondContact O-OG1 3.49Å; L1320-T1322 VanDerWaalsContact C-N 3.31Å
1323E30.3Very low31.1Very low157 Ų157132.2 Ų132.273%0.73469%0.691SS**THydrogen-bonded Turntrans-93.3-5.3172.3-105.2-177.4159.600113.9A1321A1321-E1323 VanDerWaalsContact C-N 3.32Å
1324C28.9Very low31Very low110 Ų110133.8 Ų133.874%0.74370%0.7SS**SBendtrans-103.63.7174.6-820000114.4
1325L28.5Very low31Very low152 Ų152135.6 Ų135.680%0.79671%0.709SS**SBendtrans-105.211.1-179.2-82.8164.8000115
1326T30.7Very low30.7Very low120 Ų120137.3 Ų137.374%0.73672%0.718SS**SBendtrans-116.718178.344.20000114.8
1327R27.6Very low30.2Very low230 Ų230140.2 Ų140.287%0.86874%0.737SS**  trans-136.171.6172.1-70.9-171.4179.5-1751.3113.1
1328L26.5Very low30.1Very low174 Ų174146.2 Ų146.291%0.91176%0.762SS**  trans-140.7101.7156.7-84.3172000109.9
1329P30.9Very low30.1Very low114 Ų114142.4 Ų142.474%0.7476%0.764SS**  trans-93.5125.2155.431.9-21.3000109.4
1330K29.7Very low29.9Very low204 Ų204148.3 Ų148.389%0.88778%0.778SS**  trans54.7101.8160.2-64.6-178.9174.6-1790118.1
1331I32.5Very low29.7Very low250 Ų250151 Ų151100%1.28279%0.792SS**  -136.40122.9-65.7-171.8000107

Retrieved 1,331 of 1,331 residues in 482.1 ms (Link to these results)

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