A0A087X9M3_POEFO Loading...

G protein-coupled receptor 137c

AlphaFold DB , UniProt , Accession A0A087X9M3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 452 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
1M34.9Very low36.5Very low245 Ų245145.7 Ų145.7100%1.20781%0.81SS**  01750-92.4169.8160.300108.8
2F30.6Very low36.5Very low197 Ų197145.4 Ų145.486%0.86480%0.804SS**  trans-83.6160.4-153-83.2-96000117
3S33.5Very low36.2Very low102 Ų102149 Ų14971%0.71381%0.807SS**  trans8147.2162.4-51.30000123.4
4P41.1Very low35.9Very low127 Ų127145.9 Ų145.983%0.82580%0.795SS**  trans-80.8157.115336.6-33.1000112
5G34.9Very low35.7Very low62 Ų62143.6 Ų143.664%0.63980%0.795SS**  trans-100.8135.7161.200000109.9
6E36.7Very low36Very low193 Ų193144.8 Ų144.890%0.90280%0.798SS**  74.779.790.7-79.4-172.610900113.7
7E36.7Very low36Very low201 Ų201146.3 Ų146.394%0.93980%0.795SS**  trans-85.1133.7152.5-67.1-172.2135.600108.7
8V39.7Very low35.9Very low126 Ų126146.3 Ų146.376%0.76479%0.789SS**  trans-90.9142.5-170.6175.70000112S10V8-S10 PolarHBondContact O-N 3.19Å
9D40Very low35.7Very low121 Ų121145.3 Ų145.365%0.64779%0.794SS**  trans-51112.4-170.9-79.3-72.6000116.2
10S36Very low36Very low110 Ų110143.3 Ų143.377%0.76979%0.791SS**SBendtrans-95.8-7.3157.8-61.10000113V8V8-S10 PolarHBondContact O-N 3.19Å
11N37Very low36.1Very low119 Ų119139.2 Ų139.264%0.63678%0.781SS**SBendtrans-98.1-11-165.8-66.6-39.5000115F13 T14N11-F13 VanDerWaalsContact C-N 3.29Å; N11-F13 PolarHBondContact O-N 3.22Å; N11-T14 PolarHBondContact O-OG1 2.93Å
12L36.7Very low36.2Very low142 Ų142136.4 Ų136.474%0.74377%0.772SS**THydrogen-bonded Turntrans-70-23.6-172.3-15674.4000113.7
13F32.6Very low36.8Very low192 Ų192131.1 Ų131.184%0.84276%0.764SS**THydrogen-bonded Turntrans-95.7-7.7-173.4-122-87.3000115.3N11N11-F13 VanDerWaalsContact C-N 3.29Å; N11-F13 PolarHBondContact O-N 3.22Å
14T32.5Very low37.6Very low105 Ų105129.3 Ų129.364%0.64475%0.746SS**THydrogen-bonded Turntrans-93.3-15176.838.60000113.4N11 L16N11-T14 PolarHBondContact O-OG1 2.93Å; T14-L16 PolarHBondContact O-N 3.3Å
15S33Very low38.4Very low112 Ų112125.8 Ų125.878%0.78372%0.724SS**THydrogen-bonded Turntrans-7421.9179.5-166.30000114.9
16L39.3Very low39.9Very low163 Ų163127.3 Ų127.385%0.85372%0.723SS**THydrogen-bonded Turntrans-116.415.1178.4-107.2176.8000113.7T14T14-L16 PolarHBondContact O-N 3.3Å
17K36.2Very low41.6Very low170 Ų170122.8 Ų122.874%0.73971%0.709SS**SBendtrans-135.6112.8177.6-163.6156.5-176.2178.60114.1
18E35.3Very low43.5Very low146 Ų146116.8 Ų116.868%0.68268%0.682SS**  trans73.474.6140.5-156158.9-171.300117.7
19S30.9Very low45.1Very low127 Ų127113.2 Ų113.289%0.88866%0.658SS**  trans-100.8102.3146.6-174.30000108.6
20S42.3Very low46.9Very low106 Ų106112.2 Ų112.274%0.74165%0.651SS**  trans-110.492.8-176.2-65.70000110
21G38.2Very low49.1Very low57 Ų57109.4 Ų109.459%0.58863%0.632SS**SBendtrans173.8120.2176.200000113.5A23G21-A23 PolarHBondContact O-N 2.86Å
22D37.4Very low51.2Low187 Ų187105.3 Ų105.3100%161%0.61SS**SBendtrans57.42.8160.5-131.532.3000119.8
23A43.2Very low53.4Low86 Ų8699.1 Ų99.171%0.71158%0.578SS**  trans-131.968.2176.300000112.4G21 S25G21-A23 PolarHBondContact O-N 2.86Å; A23-S25 PolarHBondContact O-N 3.11Å; A23-S25 VanDerWaalsContact O-N 3.11Å
24I50.9Low55.9Low63 Ų6392.8 Ų92.832%0.32356%0.555SS.*  trans-61.9116.4164.9-73.5-175.6000108.1L28 E283 I286I24-L28 HydrophobicContact CG2-CB 4.32Å; I24-L28 HydrophobicContact CG2-CD2 3.61Å; I24-E283 HydrophobicContact CD1-CB 4.38Å; I24-E283 HydrophobicContact CD1-CG 3.43Å; I24-E283 VanDerWaalsContact CD1-CG 3.43Å; I24-I286 HydrophobicContact CD1-CD1 4.1Å; I24-I286 HydrophobicContact CG2-CD1 4.47Å
25S56.3Low58.6Low53 Ų5391.5 Ų91.537%0.37155%0.547SS..  trans-63.9144.2-162.3175.30000113.5A23 T27 L28A23-S25 PolarHBondContact O-N 3.11Å; A23-S25 VanDerWaalsContact O-N 3.11Å; S25-T27 PolarHBondContact O-N 3.41Å; S25-T27 WeakPolarHBondContact OG-CB 3.49Å; S25-T27 PolarHBondContact OG-N 3.11Å; S25-T27 VanDerWaalsContact OG-N 3.13Å; S25-T27 PolarHBondContact OG-OG1 3.13Å; S25-T27 VanDerWaalsContact OG-OG1 3.11Å; S25-L28 WeakPolarHBondContact O-CB 3.38Å; S25-L28 PolarHBondContact O-N 3.06Å
26P66.8Low61.1Low94 Ų9486.8 Ų86.861%0.6151%0.512SS*.Hα-helixtrans-57.4-20.4169.325.2-35.6000112.9L28 E29 L30P26-L28 VanDerWaalsContact C-N 3.26Å; P26-L28 PolarHBondContact O-N 3Å; P26-E29 PolarHBondContact O-N 2.83Å; P26-L30 VanDerWaalsContact O-CB 3.27Å; P26-L30 WeakPolarHBondContact O-CB 3.42Å; P26-L30 PolarHBondContact O-N 2.92Å
27T73Confident63.4Low99 Ų9980.2 Ų80.261%0.60748%0.479SS*.Hα-helixtrans-59.3-36.7169.3-50.60000112S25 S31S25-T27 PolarHBondContact O-N 3.41Å; S25-T27 WeakPolarHBondContact OG-CB 3.49Å; S25-T27 PolarHBondContact OG-N 3.11Å; S25-T27 VanDerWaalsContact OG-N 3.13Å; S25-T27 PolarHBondContact OG-OG1 3.13Å; S25-T27 VanDerWaalsContact OG-OG1 3.11Å; T27-S31 VanDerWaalsContact O-CB 3.31Å; T27-S31 WeakPolarHBondContact O-CB 3.37Å; T27-S31 PolarHBondContact O-N 2.81Å; T27-S31 PolarHBondContact O-OG 3.07Å
28L75.4Confident66Low74 Ų7476.3 Ų76.339%0.38747%0.469SS..Hα-helixtrans-71.9-46.1178.3-171.666.6000110.9I24 S25 P26 L30 S31 L32 I286I24-L28 HydrophobicContact CG2-CB 4.32Å; I24-L28 HydrophobicContact CG2-CD2 3.61Å; S25-L28 WeakPolarHBondContact O-CB 3.38Å; S25-L28 PolarHBondContact O-N 3.06Å; P26-L28 VanDerWaalsContact C-N 3.26Å; P26-L28 PolarHBondContact O-N 3Å; L28-L30 VanDerWaalsContact C-N 3.34Å; L28-L30 PolarHBondContact O-N 3.2Å; L28-S31 WeakPolarHBondContact CA-OG 3.41Å; L28-S31 PolarHBondContact O-N 2.97Å; L28-S31 VanDerWaalsContact O-N 3.15Å; L28-S31 PolarHBondContact O-OG 3.43Å; L28-L32 WeakPolarHBondContact O-CB 3.5Å; L28-L32 PolarHBondContact O-N 3.35Å; L28-I286 HydrophobicContact CD2-CD1 3.6Å; L28-I286 HydrophobicContact CD2-CG1 4.02Å
29E74.4Confident68.7Low52 Ų5272.4 Ų72.424%0.24345%0.453CS..Hα-helixtrans-57.7-46.8176.1-61.8178.7171.200110.8P26 S31 L32 T33 S281 G282 Y285P26-E29 PolarHBondContact O-N 2.83Å; E29-S31 PolarHBondContact O-N 2.81Å; E29-L32 PolarHBondContact O-N 2.84Å; E29-T33 WeakPolarHBondContact O-CB 3.44Å; E29-T33 PolarHBondContact O-N 3.16Å; E29-T33 PolarHBondContact O-OG1 3.23Å; E29-S281 WeakPolarHBondContact OE1-CA 3.49Å; E29-G282 PolarHBondContact OE1-N 3.43Å; E29-Y285 HydrophobicContact CB-CD1 4Å; E29-Y285 HydrophobicContact CB-CE1 4.27Å; E29-Y285 HydrophobicContact CB-CG 4.48Å; E29-Y285 HydrophobicContact CG-CD1 3.95Å; E29-Y285 HydrophobicContact CG-CG 4.1Å
30L77.9Confident71.6Confident99 Ų9966.4 Ų66.452%0.51841%0.41SS..Hα-helixtrans-59.3-45.8173.7-169.973.5000112P26 L28 T33 T34 F87P26-L30 VanDerWaalsContact O-CB 3.27Å; P26-L30 WeakPolarHBondContact O-CB 3.42Å; P26-L30 PolarHBondContact O-N 2.92Å; L28-L30 VanDerWaalsContact C-N 3.34Å; L28-L30 PolarHBondContact O-N 3.2Å; L30-T33 PolarHBondContact O-N 3.5Å; L30-T34 PolarHBondContact O-N 2.77Å; L30-T34 PolarHBondContact O-OG1 3.15Å; L30-F87 HydrophobicContact CD1-CD1 4.07Å; L30-F87 HydrophobicContact CD1-CE1 3.55Å; L30-F87 HydrophobicContact CD1-CZ 4.46Å; L30-F87 HydrophobicContact CG-CE1 4.23Å
31S81.3Confident73.9Confident52 Ų5263.3 Ų63.336%0.36439%0.389SS..Hα-helixtrans-64.6-40178.877.30000112.5T27 L28 E29 T34 V35T27-S31 VanDerWaalsContact O-CB 3.31Å; T27-S31 WeakPolarHBondContact O-CB 3.37Å; T27-S31 PolarHBondContact O-N 2.81Å; T27-S31 PolarHBondContact O-OG 3.07Å; L28-S31 WeakPolarHBondContact CA-OG 3.41Å; L28-S31 PolarHBondContact O-N 2.97Å; L28-S31 VanDerWaalsContact O-N 3.15Å; L28-S31 PolarHBondContact O-OG 3.43Å; E29-S31 PolarHBondContact O-N 2.81Å; S31-T34 WeakPolarHBondContact O-CA 3.31Å; S31-T34 VanDerWaalsContact O-CB 3.24Å; S31-T34 WeakPolarHBondContact O-CB 3.41Å; S31-T34 PolarHBondContact O-N 2.71Å; S31-T34 VanDerWaalsContact O-N 3.12Å; S31-V35 WeakPolarHBondContact O-CG2 3.27Å; S31-V35 PolarHBondContact O-N 2.94Å
32L81.4Confident76.5Confident32 Ų3267.6 Ų67.617%0.16839%0.391CS..Hα-helixtrans-70.5-41.2179.5-173.462000110.7L28 E29 T34 V35 Y36 Y285L28-L32 WeakPolarHBondContact O-CB 3.5Å; L28-L32 PolarHBondContact O-N 3.35Å; E29-L32 PolarHBondContact O-N 2.84Å; L32-T34 PolarHBondContact O-N 3.44Å; L32-V35 PolarHBondContact O-N 3.48Å; L32-Y36 HydrophobicContact CD1-CD2 4.17Å; L32-Y36 HydrophobicContact CD1-CE2 3.54Å; L32-Y36 HydrophobicContact CD2-CE2 4.3Å; L32-Y36 HydrophobicContact CG-CD2 4.02Å; L32-Y36 HydrophobicContact CG-CE2 3.66Å; L32-Y36 WeakPolarHBondContact O-CD2 3.44Å; L32-Y36 PolarHBondContact O-N 3.44Å; L32-Y285 HydrophobicContact CB-CD1 4.47Å; L32-Y285 HydrophobicContact CB-CE1 4.12Å; L32-Y285 HydrophobicContact CD2-CD1 3.81Å; L32-Y285 HydrophobicContact CD2-CE1 3.96Å; L32-Y285 HydrophobicContact CG-CE1 4.23Å
33T82.7Confident79.2Confident12 Ų1259.2 Ų59.27%0.07435%0.347CS..Hα-helixtrans-56.7-41168.5-45.40000110.5E29 L30 Y36 T37 F83 F87 Y285E29-T33 WeakPolarHBondContact O-CB 3.44Å; E29-T33 PolarHBondContact O-N 3.16Å; E29-T33 PolarHBondContact O-OG1 3.23Å; L30-T33 PolarHBondContact O-N 3.5Å; T33-Y36 PolarHBondContact O-N 2.93Å; T33-T37 PolarHBondContact O-N 2.89Å; T33-T37 PolarHBondContact O-OG1 3.27Å; T33-F83 HydrophobicContact CG2-CB 4.5Å; T33-F83 HydrophobicContact CG2-CD1 4.09Å; T33-F87 VanDerWaalsContact C-CE2 3.49Å; T33-F87 HydrophobicContact CG2-CD2 3.71Å; T33-F87 HydrophobicContact CG2-CE2 3.38Å; T33-F87 HydrophobicContact CG2-CG 4.49Å; T33-F87 HydrophobicContact CG2-CZ 3.92Å; T33-F87 WeakPolarHBondContact O-CE2 3.28Å; T33-Y285 PolarHBondContact OG1-OH 3.24Å
34T85.4Confident81.6Confident60 Ų6058.4 Ų58.437%0.36833%0.327SS..Hα-helixtrans-62.1-50.3180-51.20000110.6L30 S31 L32 Y36 T37 V38 F87L30-T34 PolarHBondContact O-N 2.77Å; L30-T34 PolarHBondContact O-OG1 3.15Å; S31-T34 WeakPolarHBondContact O-CA 3.31Å; S31-T34 VanDerWaalsContact O-CB 3.24Å; S31-T34 WeakPolarHBondContact O-CB 3.41Å; S31-T34 PolarHBondContact O-N 2.71Å; S31-T34 VanDerWaalsContact O-N 3.12Å; L32-T34 PolarHBondContact O-N 3.44Å; T34-Y36 VanDerWaalsContact C-N 3.32Å; T34-Y36 PolarHBondContact O-N 3.42Å; T34-T37 PolarHBondContact O-N 3.46Å; T34-V38 HydrophobicContact CG2-CG2 4.48Å; T34-V38 WeakPolarHBondContact O-CB 3.25Å; T34-V38 WeakPolarHBondContact O-CG2 3.49Å; T34-V38 PolarHBondContact O-N 2.95Å; T34-F87 VanDerWaalsContact CA-CZ 3.47Å; T34-F87 WeakPolarHBondContact OG1-CZ 3.16Å
35V88.8Confident83.6Confident77 Ų7758.9 Ų58.947%0.46733%0.333SS..Hα-helixtrans-57.6-45.2177.2170.80000110.6S31 L32 V38 L39S31-V35 WeakPolarHBondContact O-CG2 3.27Å; S31-V35 PolarHBondContact O-N 2.94Å; L32-V35 PolarHBondContact O-N 3.48Å; V35-V38 PolarHBondContact O-N 2.96Å; V35-L39 HydrophobicContact CG1-CD1 3.77Å; V35-L39 HydrophobicContact CG1-CG 4.31Å; V35-L39 WeakPolarHBondContact O-CB 3.43Å; V35-L39 VanDerWaalsContact O-CG 3.24Å; V35-L39 WeakPolarHBondContact O-CG 3.47Å; V35-L39 PolarHBondContact O-N 2.84Å
36Y85.8Confident85.3Confident14 Ų1460 Ų606%0.05533%0.331CS..Hα-helixtrans-64-48.1176.7-78.6-56.7000113.2L32 T33 T34 V38 L39 Y40 G289 F293L32-Y36 HydrophobicContact CD1-CD2 4.17Å; L32-Y36 HydrophobicContact CD1-CE2 3.54Å; L32-Y36 HydrophobicContact CD2-CE2 4.3Å; L32-Y36 HydrophobicContact CG-CD2 4.02Å; L32-Y36 HydrophobicContact CG-CE2 3.66Å; L32-Y36 WeakPolarHBondContact O-CD2 3.44Å; L32-Y36 PolarHBondContact O-N 3.44Å; T33-Y36 PolarHBondContact O-N 2.93Å; T34-Y36 VanDerWaalsContact C-N 3.32Å; T34-Y36 PolarHBondContact O-N 3.42Å; Y36-V38 VanDerWaalsContact C-N 3.29Å; Y36-V38 PolarHBondContact O-N 2.94Å; Y36-L39 PolarHBondContact O-N 2.91Å; Y36-Y40 AromaticContact CD1-CE2 3.81Å; Y36-Y40 HydrophobicContact CD1-CE2 3.81Å; Y36-Y40 HydrophobicContact CG-CE2 4.16Å; Y36-Y40 WeakPolarHBondContact O-CD2 3.29Å; Y36-Y40 PolarHBondContact O-N 2.97Å; Y36-G289 PolarHBondContact OH-O 2.68Å; Y36-F293 HydrophobicContact CE1-CB 4.27Å; Y36-F293 HydrophobicContact CE1-CD2 4.45Å
37T88.3Confident86.5Confident24 Ų2455.5 Ų55.515%0.14730%0.302CS..Hα-helixtrans-57.2-41.8176.1-67.30000111.8T33 T34 S41 F83 F87T33-T37 PolarHBondContact O-N 2.89Å; T33-T37 PolarHBondContact O-OG1 3.27Å; T34-T37 PolarHBondContact O-N 3.46Å; T37-S41 WeakPolarHBondContact O-CB 3.26Å; T37-S41 PolarHBondContact O-N 3.2Å; T37-S41 PolarHBondContact O-OG 2.95Å; T37-F83 VanDerWaalsContact OG1-CB 3.27Å; T37-F83 WeakPolarHBondContact OG1-CB 3.33Å; T37-F87 WeakPolarHBondContact OG1-CE2 3.1Å
38V91.1Very high87.4Confident89 Ų8956.5 Ų56.554%0.53930%0.296SS..Hα-helixtrans-66.2-44.5176.3171.30000111.5T34 V35 Y36 S41 F42T34-V38 HydrophobicContact CG2-CG2 4.48Å; T34-V38 WeakPolarHBondContact O-CB 3.25Å; T34-V38 WeakPolarHBondContact O-CG2 3.49Å; T34-V38 PolarHBondContact O-N 2.95Å; V35-V38 PolarHBondContact O-N 2.96Å; Y36-V38 VanDerWaalsContact C-N 3.29Å; Y36-V38 PolarHBondContact O-N 2.94Å; V38-S41 PolarHBondContact O-N 3.42Å; V38-F42 VanDerWaalsContact O-CB 3.31Å; V38-F42 WeakPolarHBondContact O-CB 3.22Å; V38-F42 PolarHBondContact O-N 3.34Å
39L91.3Very high88.1Confident64 Ų6457.3 Ų57.334%0.33530%0.3SS..Hα-helixtrans-63.6-45.1178.5-74.3172.9000112.6V35 Y36 F42 L43 L297V35-L39 HydrophobicContact CG1-CD1 3.77Å; V35-L39 HydrophobicContact CG1-CG 4.31Å; V35-L39 WeakPolarHBondContact O-CB 3.43Å; V35-L39 VanDerWaalsContact O-CG 3.24Å; V35-L39 WeakPolarHBondContact O-CG 3.47Å; V35-L39 PolarHBondContact O-N 2.84Å; Y36-L39 PolarHBondContact O-N 2.91Å; L39-F42 PolarHBondContact O-N 3.03Å; L39-L43 WeakPolarHBondContact O-CB 3.11Å; L39-L43 PolarHBondContact O-N 3.12Å; L39-L297 HydrophobicContact CB-CD2 4Å; L39-L297 HydrophobicContact CD1-CD2 3.93Å; L39-L297 HydrophobicContact CG-CD2 4.48Å
40Y91.3Very high88.8Confident0 Ų055.1 Ų55.10%029%0.29CS..Hα-helixtrans-68.7-37.9176.8-65.3-58.2000111.9Y36 L43 F44 W75 R79 T80 F83 L297Y36-Y40 AromaticContact CD1-CE2 3.81Å; Y36-Y40 HydrophobicContact CD1-CE2 3.81Å; Y36-Y40 HydrophobicContact CG-CE2 4.16Å; Y36-Y40 WeakPolarHBondContact O-CD2 3.29Å; Y36-Y40 PolarHBondContact O-N 2.97Å; Y40-L43 PolarHBondContact O-N 2.69Å; Y40-F44 WeakPolarHBondContact O-CB 3.25Å; Y40-F44 PolarHBondContact O-N 3.25Å; Y40-W75 HydrophobicContact CD1-CH2 4.1Å; Y40-W75 HydrophobicContact CD1-CZ3 4.21Å; Y40-W75 AromaticContact CE1-CH2 3.58Å; Y40-W75 HydrophobicContact CE1-CH2 3.58Å; Y40-W75 HydrophobicContact CE1-CZ2 4.29Å; Y40-W75 HydrophobicContact CE1-CZ3 4.14Å; Y40-R79 HydrophobicContact CD1-CB 4.06Å; Y40-R79 HydrophobicContact CD2-CB 4.3Å; Y40-R79 HydrophobicContact CE1-CB 4.28Å; Y40-R79 HydrophobicContact CG-CB 4.09Å; Y40-T80 VanDerWaalsContact CB-OG1 3.31Å; Y40-T80 WeakPolarHBondContact CB-OG1 3.29Å; Y40-F83 AromaticContact CD2-CD2 3.64Å; Y40-F83 HydrophobicContact CD2-CD2 3.64Å; Y40-F83 AromaticContact CD2-CE2 3.84Å; Y40-F83 HydrophobicContact CD2-CE2 3.84Å; Y40-F83 AromaticContact CE2-CD2 3.58Å; Y40-F83 HydrophobicContact CE2-CD2 3.58Å; Y40-F83 AromaticContact CE2-CE2 3.25Å; Y40-F83 HydrophobicContact CE2-CE2 3.25Å; Y40-F83 HydrophobicContact CE2-CZ 4.13Å; Y40-L297 HydrophobicContact CD1-CD1 4.03Å; Y40-L297 HydrophobicContact CE1-CB 4.1Å; Y40-L297 HydrophobicContact CE1-CD1 3.82Å; Y40-L297 HydrophobicContact CE1-CD2 4.45Å; Y40-L297 HydrophobicContact CE1-CG 4.33Å
41S91.3Very high89.3Confident41 Ų4152.5 Ų52.529%0.28728%0.276SS..Hα-helixtrans-63.7-43.7173.9-61.20000112T37 V38 F44 V45 T80T37-S41 WeakPolarHBondContact O-CB 3.26Å; T37-S41 PolarHBondContact O-N 3.2Å; T37-S41 PolarHBondContact O-OG 2.95Å; V38-S41 PolarHBondContact O-N 3.42Å; S41-F44 PolarHBondContact O-N 3.37Å; S41-V45 WeakPolarHBondContact O-CG2 3.33Å; S41-V45 PolarHBondContact O-N 3.47Å; S41-T80 WeakPolarHBondContact OG-CG2 3.17Å
42F93.5Very high89.5Confident147 Ų14756.7 Ų56.765%0.64528%0.284SS*.Hα-helixtrans-63.2-43.6176.4179.3-97.9000111.4V38 L39 V45 F46V38-F42 VanDerWaalsContact O-CB 3.31Å; V38-F42 WeakPolarHBondContact O-CB 3.22Å; V38-F42 PolarHBondContact O-N 3.34Å; L39-F42 PolarHBondContact O-N 3.03Å; F42-V45 PolarHBondContact O-N 2.92Å; F42-F46 VanDerWaalsContact O-CB 3.3Å; F42-F46 WeakPolarHBondContact O-CB 3.18Å; F42-F46 PolarHBondContact O-N 3.28Å
43L92.5Very high89.7Confident12 Ų1257.9 Ų57.96%0.06329%0.29CS..Hα-helixtrans-63.5-42.1174.9-177.562.9000111.8L39 Y40 F46 V47 W75 L297 T300 V304L39-L43 WeakPolarHBondContact O-CB 3.11Å; L39-L43 PolarHBondContact O-N 3.12Å; Y40-L43 PolarHBondContact O-N 2.69Å; L43-F46 PolarHBondContact O-N 3.31Å; L43-V47 HydrophobicContact CD1-CG2 4.17Å; L43-V47 HydrophobicContact CG-CG2 4.43Å; L43-V47 WeakPolarHBondContact O-CB 3.46Å; L43-V47 VanDerWaalsContact O-CG2 3.26Å; L43-V47 WeakPolarHBondContact O-CG2 3.24Å; L43-V47 PolarHBondContact O-N 2.88Å; L43-W75 HydrophobicContact CD2-CZ3 3.9Å; L43-L297 HydrophobicContact CD2-CD1 3.74Å; L43-T300 HydrophobicContact CD2-CG2 4.39Å; L43-V304 HydrophobicContact CD1-CB 4.36Å; L43-V304 HydrophobicContact CD1-CG1 4.14Å; L43-V304 HydrophobicContact CD1-CG2 4.37Å
44F93.3Very high89.7Confident69 Ų6957.8 Ų57.830%0.30329%0.289SS..Hα-helixtrans-58.5-50.3174.7172.9-92.5000111.4Y40 S41 F46 V47 Y48 L73 A76 A77Y40-F44 WeakPolarHBondContact O-CB 3.25Å; Y40-F44 PolarHBondContact O-N 3.25Å; S41-F44 PolarHBondContact O-N 3.37Å; F44-F46 VanDerWaalsContact C-N 3.35Å; F44-F46 PolarHBondContact O-N 2.91Å; F44-V47 PolarHBondContact O-N 3.34Å; F44-Y48 VanDerWaalsContact O-CB 3.27Å; F44-Y48 WeakPolarHBondContact O-CB 3.35Å; F44-Y48 PolarHBondContact O-N 2.98Å; F44-L73 HydrophobicContact CD2-CD1 3.49Å; F44-L73 VanDerWaalsContact CD2-CD1 3.49Å; F44-L73 HydrophobicContact CD2-CG 4.15Å; F44-L73 HydrophobicContact CE2-CD1 3.44Å; F44-L73 VanDerWaalsContact CE2-CD1 3.44Å; F44-L73 HydrophobicContact CE2-CG 3.84Å; F44-L73 HydrophobicContact CG-CD1 4.2Å; F44-L73 HydrophobicContact CZ-CD1 4.11Å; F44-L73 WeakPolarHBondContact O-CD1 3.48Å; F44-A76 HydrophobicContact CB-CB 3.96Å; F44-A77 HydrophobicContact CD2-CB 3.94Å; F44-A77 HydrophobicContact CE2-CB 3.83Å
45V93.5Very high89.6Confident73 Ų7359.1 Ų59.144%0.44229%0.293SS..Hα-helixtrans-61.9-41.7177.1171.60000111.3S41 F42 Y48 L49S41-V45 WeakPolarHBondContact O-CG2 3.33Å; S41-V45 PolarHBondContact O-N 3.47Å; F42-V45 PolarHBondContact O-N 2.92Å; V45-Y48 PolarHBondContact O-N 3.02Å; V45-L49 HydrophobicContact CG1-CD1 3.92Å; V45-L49 HydrophobicContact CG1-CG 4.36Å; V45-L49 WeakPolarHBondContact O-CB 3.44Å; V45-L49 VanDerWaalsContact O-CG 3.27Å; V45-L49 WeakPolarHBondContact O-CG 3.41Å; V45-L49 PolarHBondContact O-N 3.11Å
46F92.4Very high89.2Confident75 Ų7561.7 Ų61.733%0.32930%0.3SS..Hα-helixtrans-62.8-45.4177.5-178.3-124.1000112.3F42 L43 F44 L49 Q50 V304F42-F46 VanDerWaalsContact O-CB 3.3Å; F42-F46 WeakPolarHBondContact O-CB 3.18Å; F42-F46 PolarHBondContact O-N 3.28Å; L43-F46 PolarHBondContact O-N 3.31Å; F44-F46 VanDerWaalsContact C-N 3.35Å; F44-F46 PolarHBondContact O-N 2.91Å; F46-L49 PolarHBondContact O-N 3.18Å; F46-Q50 VanDerWaalsContact CZ-NE2 3.32Å; F46-Q50 WeakPolarHBondContact O-CG 3.41Å; F46-Q50 PolarHBondContact O-N 2.9Å; F46-V304 HydrophobicContact CD1-CG1 3.78Å; F46-V304 HydrophobicContact CE1-CG1 3.8Å
47V92.2Very high88.9Confident0 Ų065 Ų650%031%0.313CS..Hα-helixtrans-66.6-39.5175.91770000111.4L43 F44 Q50 L51 L69 C72 L73 V304L43-V47 HydrophobicContact CD1-CG2 4.17Å; L43-V47 HydrophobicContact CG-CG2 4.43Å; L43-V47 WeakPolarHBondContact O-CB 3.46Å; L43-V47 VanDerWaalsContact O-CG2 3.26Å; L43-V47 WeakPolarHBondContact O-CG2 3.24Å; L43-V47 PolarHBondContact O-N 2.88Å; F44-V47 PolarHBondContact O-N 3.34Å; V47-Q50 WeakPolarHBondContact O-CB 3.42Å; V47-Q50 PolarHBondContact O-N 2.81Å; V47-L51 PolarHBondContact O-N 3.46Å; V47-L69 HydrophobicContact CG1-CB 4.1Å; V47-L69 HydrophobicContact CG1-CD2 4.1Å; V47-L69 WeakPolarHBondContact CG1-O 3.24Å; V47-C72 HydrophobicContact CG1-CB 4.36Å; V47-C72 HydrophobicContact CG2-CB 4.32Å; V47-L73 HydrophobicContact CB-CD1 4.17Å; V47-L73 HydrophobicContact CG1-CB 3.74Å; V47-L73 HydrophobicContact CG1-CD1 4.04Å; V47-L73 HydrophobicContact CG1-CG 4.49Å; V47-V304 HydrophobicContact CG2-CB 4.27Å; V47-V304 HydrophobicContact CG2-CG1 3.56Å; V47-V304 HydrophobicContact CG2-CG2 3.63Å
48Y91.8Very high87.7Confident121 Ų12167.1 Ų67.148%0.47534%0.339SS..Hα-helixtrans-60.5-47.8176178.5-95.1000111.5F44 V45 Q50 L51 W52F44-Y48 VanDerWaalsContact O-CB 3.27Å; F44-Y48 WeakPolarHBondContact O-CB 3.35Å; F44-Y48 PolarHBondContact O-N 2.98Å; V45-Y48 PolarHBondContact O-N 3.02Å; Y48-Q50 VanDerWaalsContact C-N 3.31Å; Y48-Q50 PolarHBondContact O-N 2.92Å; Y48-L51 PolarHBondContact O-N 3.35Å; Y48-L51 VanDerWaalsContact O-N 3.15Å; Y48-W52 WeakPolarHBondContact O-CB 3.21Å; Y48-W52 PolarHBondContact O-N 3.41Å
49L90.6Very high86.6Confident90 Ų9066.7 Ų66.747%0.47133%0.331SS..Hα-helixtrans-61-38.8175.8-72.2170.3000111.9V45 F46 W52 L53V45-L49 HydrophobicContact CG1-CD1 3.92Å; V45-L49 HydrophobicContact CG1-CG 4.36Å; V45-L49 WeakPolarHBondContact O-CB 3.44Å; V45-L49 VanDerWaalsContact O-CG 3.27Å; V45-L49 WeakPolarHBondContact O-CG 3.41Å; V45-L49 PolarHBondContact O-N 3.11Å; F46-L49 PolarHBondContact O-N 3.18Å; L49-W52 PolarHBondContact O-N 3.29Å; L49-L53 WeakPolarHBondContact O-CD1 3.21Å; L49-L53 VanDerWaalsContact O-CG 3.23Å; L49-L53 WeakPolarHBondContact O-CG 3.44Å; L49-L53 PolarHBondContact O-N 2.9Å
50Q88.6Confident85.5Confident7 Ų772.2 Ų72.23%0.03335%0.353CS..Hα-helixtrans-63.1-44.9172.4-71.4-171.337.900112.5F46 V47 Y48 W52 L53 I54 L69 V304 R308 V309F46-Q50 VanDerWaalsContact CZ-NE2 3.32Å; F46-Q50 WeakPolarHBondContact O-CG 3.41Å; F46-Q50 PolarHBondContact O-N 2.9Å; V47-Q50 WeakPolarHBondContact O-CB 3.42Å; V47-Q50 PolarHBondContact O-N 2.81Å; Y48-Q50 VanDerWaalsContact C-N 3.31Å; Y48-Q50 PolarHBondContact O-N 2.92Å; Q50-W52 VanDerWaalsContact C-N 3.32Å; Q50-W52 PolarHBondContact O-N 2.88Å; Q50-L53 WeakPolarHBondContact O-CB 3.31Å; Q50-L53 PolarHBondContact O-N 3.18Å; Q50-I54 PolarHBondContact O-N 3.09Å; Q50-L69 HydrophobicContact CB-CD1 4.01Å; Q50-L69 HydrophobicContact CB-CD2 4.47Å; Q50-L69 VanDerWaalsContact OE1-CD2 3.25Å; Q50-V304 PolarHBondContact NE2-O 2.93Å; Q50-R308 VanDerWaalsContact OE1-CA 3.3Å; Q50-V309 HydrophobicContact CB-CG2 4.01Å; Q50-V309 HydrophobicContact CG-CG2 4.45Å
51L87.4Confident84.1Confident44 Ų4481.5 Ų81.523%0.2339%0.387CS..Hα-helixtrans-66.7-35.4179.7-16664.1000111.7V47 Y48 I54 L55 F70 L73V47-L51 PolarHBondContact O-N 3.46Å; Y48-L51 PolarHBondContact O-N 3.35Å; Y48-L51 VanDerWaalsContact O-N 3.15Å; L51-I54 PolarHBondContact O-N 3.28Å; L51-L55 PolarHBondContact O-N 2.93Å; L51-F70 HydrophobicContact CD2-CD2 4.44Å; L51-L73 HydrophobicContact CD2-CD2 4.05Å
52W87.1Confident82.8Confident139 Ų13988.1 Ų88.153%0.52741%0.412SS..Hα-helixtrans-61.4-44.6169.5180-96.9000112.1Y48 L49 Q50 I54 L55 H56Y48-W52 WeakPolarHBondContact O-CB 3.21Å; Y48-W52 PolarHBondContact O-N 3.41Å; L49-W52 PolarHBondContact O-N 3.29Å; Q50-W52 VanDerWaalsContact C-N 3.32Å; Q50-W52 PolarHBondContact O-N 2.88Å; W52-I54 VanDerWaalsContact C-N 3.33Å; W52-I54 PolarHBondContact O-N 3Å; W52-L55 PolarHBondContact O-N 3.41Å; W52-L55 VanDerWaalsContact O-N 3.14Å; W52-H56 WeakPolarHBondContact O-CB 3.34Å; W52-H56 PolarHBondContact O-N 3.24Å
53L84.5Confident82.2Confident58 Ų5883.8 Ų83.830%0.30440%0.399SS..Hα-helixtrans-61.5-37.5175.6-72.4161.9000112.3L49 Q50 L55 H56 Y57 V309L49-L53 WeakPolarHBondContact O-CD1 3.21Å; L49-L53 VanDerWaalsContact O-CG 3.23Å; L49-L53 WeakPolarHBondContact O-CG 3.44Å; L49-L53 PolarHBondContact O-N 2.9Å; Q50-L53 WeakPolarHBondContact O-CB 3.31Å; Q50-L53 PolarHBondContact O-N 3.18Å; L53-L55 VanDerWaalsContact C-N 3.34Å; L53-L55 PolarHBondContact O-N 2.98Å; L53-H56 PolarHBondContact O-N 2.87Å; L53-Y57 HydrophobicContact CB-CD2 4.28Å; L53-Y57 HydrophobicContact CB-CE2 4.1Å; L53-Y57 HydrophobicContact CD2-CE2 3.71Å; L53-Y57 HydrophobicContact CG-CE2 4.48Å; L53-Y57 WeakPolarHBondContact O-CB 3.49Å; L53-Y57 WeakPolarHBondContact O-CD2 3.45Å; L53-Y57 PolarHBondContact O-N 2.88Å; L53-V309 HydrophobicContact CB-CG1 4.14Å
54I84.2Confident81.7Confident10 Ų1085.8 Ų85.85%0.05141%0.406CS..Hα-helixtrans-60.7-44173.2-68.5177.5000111.2Q50 L51 W52 H59 Q65 L69 V309Q50-I54 PolarHBondContact O-N 3.09Å; L51-I54 PolarHBondContact O-N 3.28Å; W52-I54 VanDerWaalsContact C-N 3.33Å; W52-I54 PolarHBondContact O-N 3Å; I54-H59 HydrophobicContact CG2-CB 4.04Å; I54-H59 PolarHBondContact O-N 3.38Å; I54-Q65 HydrophobicContact CD1-CG 4.18Å; I54-L69 HydrophobicContact CD1-CD1 3.71Å; I54-V309 HydrophobicContact CD1-CG2 3.9Å; I54-V309 HydrophobicContact CG1-CG2 3.54Å
55L82.1Confident81.3Confident87 Ų8785.1 Ų85.146%0.45540%0.404SS..Hα-helixtrans-67.6-45.5179.1-177.662.2000111.5L51 W52 L53 G58L51-L55 PolarHBondContact O-N 2.93Å; W52-L55 PolarHBondContact O-N 3.41Å; W52-L55 VanDerWaalsContact O-N 3.14Å; L53-L55 VanDerWaalsContact C-N 3.34Å; L53-L55 PolarHBondContact O-N 2.98Å; L55-G58 PolarHBondContact O-N 2.89Å
56H80.8Confident81Confident132 Ų13282.2 Ų82.261%0.61139%0.387SS*.Hα-helixtrans-66.2-40.5-178.5-174.8-78.9000112.9W52 L53 G58W52-H56 WeakPolarHBondContact O-CB 3.34Å; W52-H56 PolarHBondContact O-N 3.24Å; L53-H56 PolarHBondContact O-N 2.87Å; H56-G58 PolarHBondContact O-N 3.42Å
57Y79.1Confident80.9Confident84 Ų8480.7 Ų80.733%0.32938%0.384SS..THydrogen-bonded Turntrans-78.711.2176.1-62.5-45000113.9L53 H59 V309L53-Y57 HydrophobicContact CB-CD2 4.28Å; L53-Y57 HydrophobicContact CB-CE2 4.1Å; L53-Y57 HydrophobicContact CD2-CE2 3.71Å; L53-Y57 HydrophobicContact CG-CE2 4.48Å; L53-Y57 WeakPolarHBondContact O-CB 3.49Å; L53-Y57 WeakPolarHBondContact O-CD2 3.45Å; L53-Y57 PolarHBondContact O-N 2.88Å; Y57-H59 PolarHBondContact O-N 3.2Å; Y57-H59 VanDerWaalsContact O-N 3.09Å; Y57-V309 HydrophobicContact CD2-CG1 4.41Å
58G64.1Low80.7Confident67 Ų6780.7 Ų80.769%0.69138%0.384SS*.THydrogen-bonded Turntrans63.318.4174.800000114.6L55 H56L55-G58 PolarHBondContact O-N 2.89Å; H56-G58 PolarHBondContact O-N 3.42Å
59H66.9Low80.7Confident81 Ų8175 Ų7538%0.37536%0.362SS..  trans-65.5153.1-177.7-73-35.3000111.6I54 Y57 R61I54-H59 HydrophobicContact CG2-CB 4.04Å; I54-H59 PolarHBondContact O-N 3.38Å; Y57-H59 PolarHBondContact O-N 3.2Å; Y57-H59 VanDerWaalsContact O-N 3.09Å; H59-R61 PolarHBondContact O-N 2.89Å
60K68.3Low80.7Confident180 Ų18076.3 Ų76.378%0.78336%0.364SS*.  trans-60105.1-177.4-174.1166-176164.30110.6F62K60-F62 CarbonylContact O-C 3.1Å; K60-F62 PolarHBondContact O-N 2.7Å
61R61.5Low80.9Confident194 Ų19477 Ų7773%0.73237%0.367SS*.SBendtrans-49.7-36.1-167.4-63.5-176.8179.9-179.9-0.3114.5H59 S66H59-R61 PolarHBondContact O-N 2.89Å; R61-S66 WeakPolarHBondContact O-CB 3.3Å; R61-S66 PolarHBondContact O-OG 3.18Å
62F64.4Low81.1Confident181 Ų18175 Ų7579%0.79436%0.357SS*.SBendtrans-97.194.9170.7-111.8-93.3000111K60 V67K60-F62 CarbonylContact O-C 3.1Å; K60-F62 PolarHBondContact O-N 2.7Å; F62-V67 HydrophobicContact CD1-CG2 4.28Å; F62-V67 HydrophobicContact CE1-CG2 4.13Å
63S80.8Confident81.4Confident55 Ų5569.4 Ų69.439%0.38534%0.338SS..SBendtrans-133.2158174.6-179.20000108.8Q65 S66 V67S63-Q65 PolarHBondContact O-N 3.33Å; S63-S66 PolarHBondContact N-OG 3Å; S63-S66 PolarHBondContact O-N 2.89Å; S63-S66 PolarHBondContact O-OG 3.33Å; S63-V67 WeakPolarHBondContact O-CG2 3.06Å; S63-V67 PolarHBondContact O-N 3.27Å; S63-V67 VanDerWaalsContact O-N 3.15Å
64Y82.1Confident81.8Confident54 Ų5470 Ų7021%0.21234%0.34CS..Hα-helixtrans-53.6-44.3174.8-80.2-76.1000111.4S66 V67 F68 L118 L121 Y122 Q125 R146Y64-S66 PolarHBondContact O-N 3.42Å; Y64-V67 PolarHBondContact O-N 3.49Å; Y64-F68 WeakPolarHBondContact O-CD2 3.33Å; Y64-F68 PolarHBondContact O-N 3.03Å; Y64-L118 HydrophobicContact CE1-CD2 4.46Å; Y64-L121 HydrophobicContact CE1-CD2 3.96Å; Y64-L121 HydrophobicContact CE1-CG 4.06Å; Y64-Y122 HydrophobicContact CG-CD2 4.38Å; Y64-Q125 VanDerWaalsContact CZ-NE2 3.33Å; Y64-Q125 PolarHBondContact OH-NE2 3.4Å; Y64-R146 VanDerWaalsContact OH-CZ 3.26Å; Y64-R146 PolarHBondContact OH-NE 2.94Å; Y64-R146 PolarHBondContact OH-NH2 3.32Å
65Q85.6Confident82.2Confident56 Ų5669.6 Ų69.626%0.26234%0.338SS..Hα-helixtrans-56.9-45177.7-172.9176.11400113.6I54 S63 L69 F307I54-Q65 HydrophobicContact CD1-CG 4.18Å; S63-Q65 PolarHBondContact O-N 3.33Å; Q65-L69 HydrophobicContact CG-CD1 4.2Å; Q65-L69 WeakPolarHBondContact O-CG 3.43Å; Q65-L69 PolarHBondContact O-N 3.06Å; Q65-L69 VanDerWaalsContact O-N 3.07Å; Q65-F307 HydrophobicContact CG-CB 4.33Å; Q65-F307 WeakPolarHBondContact CG-O 3.47Å; Q65-F307 PolarHBondContact NE2-O 2.96Å
66S86.3Confident82.7Confident11 Ų1165.5 Ų65.58%0.07732%0.317CS..Hα-helixtrans-72.9-33.2-179.452.50000112.4R61 S63 Y64 F70R61-S66 WeakPolarHBondContact O-CB 3.3Å; R61-S66 PolarHBondContact O-OG 3.18Å; S63-S66 PolarHBondContact N-OG 3Å; S63-S66 PolarHBondContact O-N 2.89Å; S63-S66 PolarHBondContact O-OG 3.33Å; Y64-S66 PolarHBondContact O-N 3.42Å; S66-F70 WeakPolarHBondContact O-CB 3.46Å; S66-F70 PolarHBondContact O-N 3.41Å
67V89.6Confident83.2Confident44 Ų4460.5 Ų60.527%0.26730%0.299SS..Hα-helixtrans-69.7-41.3174.1-174.80000111.3F62 S63 Y64 F70 L71 L118F62-V67 HydrophobicContact CD1-CG2 4.28Å; F62-V67 HydrophobicContact CE1-CG2 4.13Å; S63-V67 WeakPolarHBondContact O-CG2 3.06Å; S63-V67 PolarHBondContact O-N 3.27Å; S63-V67 VanDerWaalsContact O-N 3.15Å; Y64-V67 PolarHBondContact O-N 3.49Å; V67-F70 PolarHBondContact O-N 3.16Å; V67-L71 WeakPolarHBondContact O-CG 3.29Å; V67-L71 PolarHBondContact O-N 3.49Å; V67-L118 HydrophobicContact CB-CD1 4.25Å; V67-L118 HydrophobicContact CG1-CD1 3.55Å
68F89.9Confident83.7Confident0 Ų057.1 Ų57.10%029%0.286CS..Hα-helixtrans-56.3-51.6172.1-78.6-64.1000111.7Y64 F70 L71 C72 T115 L118 L119 Y122 V303 F307Y64-F68 WeakPolarHBondContact O-CD2 3.33Å; Y64-F68 PolarHBondContact O-N 3.03Å; F68-F70 VanDerWaalsContact C-N 3.3Å; F68-F70 PolarHBondContact O-N 3.45Å; F68-L71 PolarHBondContact O-N 3.14Å; F68-C72 PolarHBondContact O-N 3.4Å; F68-C72 PolarHBondContact O-SG 3.05Å; F68-T115 HydrophobicContact CD1-CG2 4.25Å; F68-T115 HydrophobicContact CE1-CG2 4.49Å; F68-L118 HydrophobicContact CD1-CB 4.08Å; F68-L118 HydrophobicContact CD1-CD1 4.43Å; F68-L118 HydrophobicContact CE1-CB 3.39Å; F68-L118 VanDerWaalsContact CZ-C 3.4Å; F68-L118 HydrophobicContact CZ-CB 3.66Å; F68-L118 WeakPolarHBondContact CZ-O 3.5Å; F68-L119 HydrophobicContact CE1-CB 4.27Å; F68-L119 HydrophobicContact CZ-CB 4.39Å; F68-L119 HydrophobicContact CZ-CD1 4.33Å; F68-Y122 HydrophobicContact CE2-CG 4.41Å; F68-V303 HydrophobicContact CD1-CG1 4.33Å; F68-F307 HydrophobicContact CB-CD2 4.13Å; F68-F307 HydrophobicContact CD1-CD2 4.27Å; F68-F307 AromaticContact CD1-CE2 3.99Å; F68-F307 HydrophobicContact CD1-CE2 3.99Å; F68-F307 HydrophobicContact CD2-CD1 4.04Å; F68-F307 AromaticContact CD2-CD2 3.61Å; F68-F307 HydrophobicContact CD2-CD2 3.61Å; F68-F307 AromaticContact CD2-CE1 3.88Å; F68-F307 HydrophobicContact CD2-CE1 3.88Å; F68-F307 AromaticContact CD2-CE2 3.41Å; F68-F307 HydrophobicContact CD2-CE2 3.41Å; F68-F307 VanDerWaalsContact CD2-CE2 3.41Å; F68-F307 AromaticContact CD2-CG 3.93Å; F68-F307 HydrophobicContact CD2-CG 3.93Å; F68-F307 AromaticContact CD2-CZ 3.58Å; F68-F307 HydrophobicContact CD2-CZ 3.58Å; F68-F307 AromaticContact CE1-CE2 3.87Å; F68-F307 HydrophobicContact CE1-CE2 3.87Å; F68-F307 HydrophobicContact CE1-CZ 4.37Å; F68-F307 HydrophobicContact CE2-CD1 4.32Å; F68-F307 HydrophobicContact CE2-CD2 4.03Å; F68-F307 AromaticContact CE2-CE1 3.69Å; F68-F307 HydrophobicContact CE2-CE1 3.69Å; F68-F307 AromaticContact CE2-CE2 3.33Å; F68-F307 HydrophobicContact CE2-CE2 3.33Å; F68-F307 HydrophobicContact CE2-CG 4.49Å; F68-F307 AromaticContact CE2-CZ 3.14Å; F68-F307 HydrophobicContact CE2-CZ 3.14Å; F68-F307 AromaticContact CG-CD2 3.77Å; F68-F307 HydrophobicContact CG-CD2 3.77Å; F68-F307 AromaticContact CG-CE2 3.78Å; F68-F307 HydrophobicContact CG-CE2 3.78Å; F68-F307 HydrophobicContact CG-CG 4.37Å; F68-F307 HydrophobicContact CG-CZ 4.39Å; F68-F307 HydrophobicContact CZ-CD2 4.49Å; F68-F307 AromaticContact CZ-CE2 3.56Å; F68-F307 HydrophobicContact CZ-CE2 3.56Å; F68-F307 AromaticContact CZ-CZ 3.6Å; F68-F307 HydrophobicContact CZ-CZ 3.6Å
69L90Very high84.8Confident1 Ų154.2 Ų54.21%0.00525%0.254CS..Hα-helixtrans-65.3-34.8-178.7-67.8169000111.6V47 Q50 I54 Q65 C72 L73 V304 V309V47-L69 HydrophobicContact CG1-CB 4.1Å; V47-L69 HydrophobicContact CG1-CD2 4.1Å; V47-L69 WeakPolarHBondContact CG1-O 3.24Å; Q50-L69 HydrophobicContact CB-CD1 4.01Å; Q50-L69 HydrophobicContact CB-CD2 4.47Å; Q50-L69 VanDerWaalsContact OE1-CD2 3.25Å; I54-L69 HydrophobicContact CD1-CD1 3.71Å; Q65-L69 HydrophobicContact CG-CD1 4.2Å; Q65-L69 WeakPolarHBondContact O-CG 3.43Å; Q65-L69 PolarHBondContact O-N 3.06Å; Q65-L69 VanDerWaalsContact O-N 3.07Å; L69-C72 PolarHBondContact O-N 3.21Å; L69-L73 VanDerWaalsContact O-CB 3.24Å; L69-L73 WeakPolarHBondContact O-CB 3.38Å; L69-L73 PolarHBondContact O-N 3.3Å; L69-V304 HydrophobicContact CD2-CG1 4.34Å; L69-V304 HydrophobicContact CD2-CG2 4.47Å; L69-V309 HydrophobicContact CD1-CG2 4.4Å
70F90.9Very high85.8Confident118 Ų11851.5 Ų51.552%0.51824%0.244SC..Hα-helixtrans-64.9-43.3173.3-172.9-95.6000112.9L51 S66 V67 F68 L73 L74L51-F70 HydrophobicContact CD2-CD2 4.44Å; S66-F70 WeakPolarHBondContact O-CB 3.46Å; S66-F70 PolarHBondContact O-N 3.41Å; V67-F70 PolarHBondContact O-N 3.16Å; F68-F70 VanDerWaalsContact C-N 3.3Å; F68-F70 PolarHBondContact O-N 3.45Å; F70-L73 PolarHBondContact O-N 3.02Å; F70-L74 PolarHBondContact O-N 2.9Å
71L92.3Very high86.6Confident21 Ų2145.8 Ų45.811%0.1122%0.224CC..Hα-helixtrans-62.7-43.2173.9-68.8180000111.7V67 F68 L73 L74 W75 L111 F114 L118V67-L71 WeakPolarHBondContact O-CG 3.29Å; V67-L71 PolarHBondContact O-N 3.49Å; F68-L71 PolarHBondContact O-N 3.14Å; L71-L73 VanDerWaalsContact C-N 3.33Å; L71-L73 PolarHBondContact O-N 2.83Å; L71-L74 PolarHBondContact O-N 3.32Å; L71-W75 VanDerWaalsContact O-CB 3.28Å; L71-W75 WeakPolarHBondContact O-CB 3.37Å; L71-W75 PolarHBondContact O-N 3.23Å; L71-L111 HydrophobicContact CD2-CD2 3.77Å; L71-F114 HydrophobicContact CD1-CB 3.77Å; L71-F114 HydrophobicContact CD2-CB 4.46Å; L71-F114 HydrophobicContact CD2-CD2 4.2Å; L71-L118 HydrophobicContact CD1-CD1 3.58Å; L71-L118 HydrophobicContact CD1-CG 4.47Å
72C92Very high87.6Confident2 Ų236.9 Ų36.91%0.01419%0.191CC..Hα-helixtrans-65.6-35.8177.6-62.40000112V47 F68 L69 A76 T300 V304V47-C72 HydrophobicContact CG1-CB 4.36Å; V47-C72 HydrophobicContact CG2-CB 4.32Å; F68-C72 PolarHBondContact O-N 3.4Å; F68-C72 PolarHBondContact O-SG 3.05Å; L69-C72 PolarHBondContact O-N 3.21Å; C72-A76 VanDerWaalsContact O-CB 3.26Å; C72-A76 WeakPolarHBondContact O-CB 3.27Å; C72-A76 PolarHBondContact O-N 3.24Å; C72-T300 HydrophobicContact CB-CG2 4.18Å; C72-V304 HydrophobicContact CB-CG2 3.6Å
73L93.3Very high88.2Confident22 Ų2228.5 Ų28.512%0.11515%0.154CC..Hα-helixtrans-66-48.5176.4-172.370.4000111F44 V47 L51 L69 F70 L71 W75 A76 A77F44-L73 HydrophobicContact CD2-CD1 3.49Å; F44-L73 VanDerWaalsContact CD2-CD1 3.49Å; F44-L73 HydrophobicContact CD2-CG 4.15Å; F44-L73 HydrophobicContact CE2-CD1 3.44Å; F44-L73 VanDerWaalsContact CE2-CD1 3.44Å; F44-L73 HydrophobicContact CE2-CG 3.84Å; F44-L73 HydrophobicContact CG-CD1 4.2Å; F44-L73 HydrophobicContact CZ-CD1 4.11Å; F44-L73 WeakPolarHBondContact O-CD1 3.48Å; V47-L73 HydrophobicContact CB-CD1 4.17Å; V47-L73 HydrophobicContact CG1-CB 3.74Å; V47-L73 HydrophobicContact CG1-CD1 4.04Å; V47-L73 HydrophobicContact CG1-CG 4.49Å; L51-L73 HydrophobicContact CD2-CD2 4.05Å; L69-L73 VanDerWaalsContact O-CB 3.24Å; L69-L73 WeakPolarHBondContact O-CB 3.38Å; L69-L73 PolarHBondContact O-N 3.3Å; F70-L73 PolarHBondContact O-N 3.02Å; L71-L73 VanDerWaalsContact C-N 3.33Å; L71-L73 PolarHBondContact O-N 2.83Å; L73-W75 VanDerWaalsContact C-N 3.35Å; L73-A76 PolarHBondContact O-N 3.34Å; L73-A77 WeakPolarHBondContact O-CB 3.01Å; L73-A77 PolarHBondContact O-N 3.41Å
74L92.9Very high88.1Confident69 Ų6928.6 Ų28.636%0.36116%0.155SC..Hα-helixtrans-62.9-43177.4-178.660.6000110.9F70 L71 A77 L78 L111F70-L74 PolarHBondContact O-N 2.9Å; L71-L74 PolarHBondContact O-N 3.32Å; L74-A77 PolarHBondContact O-N 3.02Å; L74-L78 HydrophobicContact CD1-CG 4.46Å; L74-L78 HydrophobicContact CG-CD1 4.36Å; L74-L78 VanDerWaalsContact O-CG 3.3Å; L74-L78 WeakPolarHBondContact O-CG 3.36Å; L74-L78 PolarHBondContact O-N 2.92Å; L74-L111 HydrophobicContact CB-CD1 4.2Å; L74-L111 HydrophobicContact CD2-CD1 4Å; L74-L111 HydrophobicContact CD2-CD2 3.92Å; L74-L111 HydrophobicContact CG-CD1 3.78Å
75W93.7Very high87.7Confident3 Ų330.2 Ų30.21%0.01116%0.163CC..Hα-helixtrans-61.6-46.9176.1177.885000112.4Y40 L43 L71 L73 A77 L78 R79 P108 L111 E296 T300Y40-W75 HydrophobicContact CD1-CH2 4.1Å; Y40-W75 HydrophobicContact CD1-CZ3 4.21Å; Y40-W75 AromaticContact CE1-CH2 3.58Å; Y40-W75 HydrophobicContact CE1-CH2 3.58Å; Y40-W75 HydrophobicContact CE1-CZ2 4.29Å; Y40-W75 HydrophobicContact CE1-CZ3 4.14Å; L43-W75 HydrophobicContact CD2-CZ3 3.9Å; L71-W75 VanDerWaalsContact O-CB 3.28Å; L71-W75 WeakPolarHBondContact O-CB 3.37Å; L71-W75 PolarHBondContact O-N 3.23Å; L73-W75 VanDerWaalsContact C-N 3.35Å; W75-A77 VanDerWaalsContact C-N 3.33Å; W75-A77 PolarHBondContact O-N 3.13Å; W75-L78 PolarHBondContact O-N 3.49Å; W75-R79 HydrophobicContact CD2-CG 4.47Å; W75-R79 HydrophobicContact CH2-CG 4.44Å; W75-R79 HydrophobicContact CZ2-CG 3.75Å; W75-R79 PolarHBondContact O-N 3.23Å; W75-P108 VanDerWaalsContact CD1-O 3.31Å; W75-L111 HydrophobicContact CB-CB 4.18Å; W75-L111 HydrophobicContact CB-CD1 3.94Å; W75-E296 HydrophobicContact CH2-CB 4.31Å; W75-E296 WeakPolarHBondContact CH2-O 3.47Å; W75-E296 HydrophobicContact CZ2-CB 3.8Å; W75-T300 HydrophobicContact CD2-CG2 4.34Å; W75-T300 HydrophobicContact CE3-CG2 3.6Å; W75-T300 HydrophobicContact CZ3-CG2 3.71Å
76A92.3Very high86.9Confident0 Ų030.1 Ų30.10%016%0.16CC..Hα-helixtrans-65.4-36177.300000111.9F44 C72 L73 T80F44-A76 HydrophobicContact CB-CB 3.96Å; C72-A76 VanDerWaalsContact O-CB 3.26Å; C72-A76 WeakPolarHBondContact O-CB 3.27Å; C72-A76 PolarHBondContact O-N 3.24Å; L73-A76 PolarHBondContact O-N 3.34Å; A76-T80 VanDerWaalsContact O-CB 3.24Å; A76-T80 WeakPolarHBondContact O-CB 3.37Å; A76-T80 PolarHBondContact O-N 3.12Å; A76-T80 PolarHBondContact O-OG1 3.19Å
77A91Very high85.9Confident28 Ų2833 Ų3323%0.23117%0.172CC..Hα-helixtrans-63.1-46.4173.500000111.8F44 L73 L74 W75 T80 T81F44-A77 HydrophobicContact CD2-CB 3.94Å; F44-A77 HydrophobicContact CE2-CB 3.83Å; L73-A77 WeakPolarHBondContact O-CB 3.01Å; L73-A77 PolarHBondContact O-N 3.41Å; L74-A77 PolarHBondContact O-N 3.02Å; W75-A77 VanDerWaalsContact C-N 3.33Å; W75-A77 PolarHBondContact O-N 3.13Å; A77-T80 PolarHBondContact O-N 2.8Å; A77-T81 VanDerWaalsContact O-CB 3.29Å; A77-T81 WeakPolarHBondContact O-CB 3.24Å; A77-T81 PolarHBondContact O-N 3.41Å; A77-T81 PolarHBondContact O-OG1 3.18Å
78L89.2Confident84.3Confident13 Ų1339 Ų397%0.06819%0.194CC..Hα-helixtrans-63.9-46.9178.3-68.7173.9000111.8L74 W75 T81 L82 L103 L104 C107 P108 L111L74-L78 HydrophobicContact CD1-CG 4.46Å; L74-L78 HydrophobicContact CG-CD1 4.36Å; L74-L78 VanDerWaalsContact O-CG 3.3Å; L74-L78 WeakPolarHBondContact O-CG 3.36Å; L74-L78 PolarHBondContact O-N 2.92Å; W75-L78 PolarHBondContact O-N 3.49Å; L78-T81 PolarHBondContact O-N 3.34Å; L78-L82 WeakPolarHBondContact O-CB 3.49Å; L78-L82 PolarHBondContact O-N 3.47Å; L78-L103 HydrophobicContact CD1-CD1 4.29Å; L78-L103 HydrophobicContact CD2-CD1 3.92Å; L78-L103 HydrophobicContact CD2-CD2 4.42Å; L78-L103 HydrophobicContact CD2-CG 3.74Å; L78-L103 WeakPolarHBondContact CD2-O 3.43Å; L78-L104 HydrophobicContact CD2-CD2 4.27Å; L78-C107 HydrophobicContact CD1-CB 4.24Å; L78-P108 HydrophobicContact CB-CG 4.14Å; L78-P108 HydrophobicContact CD1-CG 4.31Å; L78-L111 HydrophobicContact CD1-CD1 3.73Å
79R88.4Confident82.9Confident5 Ų543.1 Ų43.12%0.01922%0.216CC..Hα-helixtrans-63.5-44.1176-78.6-72.2-177.1-1413.6111.9Y40 W75 T81 L82 F83 S272 E296Y40-R79 HydrophobicContact CD1-CB 4.06Å; Y40-R79 HydrophobicContact CD2-CB 4.3Å; Y40-R79 HydrophobicContact CE1-CB 4.28Å; Y40-R79 HydrophobicContact CG-CB 4.09Å; W75-R79 HydrophobicContact CD2-CG 4.47Å; W75-R79 HydrophobicContact CH2-CG 4.44Å; W75-R79 HydrophobicContact CZ2-CG 3.75Å; W75-R79 PolarHBondContact O-N 3.23Å; R79-T81 VanDerWaalsContact C-N 3.29Å; R79-T81 PolarHBondContact O-N 2.83Å; R79-L82 PolarHBondContact O-N 2.78Å; R79-F83 VanDerWaalsContact O-CD2 3.24Å; R79-F83 WeakPolarHBondContact O-CD2 3.4Å; R79-F83 PolarHBondContact O-N 3.1Å; R79-F83 VanDerWaalsContact O-N 3.08Å; R79-S272 PolarHBondContact NH2-OG 3.28Å; R79-S272 VanDerWaalsContact NH2-OG 3.08Å; R79-E296 IonicContact CZ-OE1 3.79Å; R79-E296 IonicContact CZ-OE2 2.83Å; R79-E296 VanDerWaalsContact CZ-OE2 3.27Å; R79-E296 IonicContact NE-OE2 3.86Å; R79-E296 PolarHBondContact NE-OE2 3.16Å; R79-E296 IonicContact NH2-OE1 3.55Å; R79-E296 PolarHBondContact NH2-OE1 2.87Å; R79-E296 IonicContact NH2-OE2 3.33Å; R79-E296 PolarHBondContact NH2-OE2 2.91Å
80T87.9Confident81.3Confident25 Ų2547.1 Ų47.115%0.15324%0.241CC..Hα-helixtrans-59.2-41.3174.4-55.30000111.7Y40 S41 A76 A77 S84Y40-T80 VanDerWaalsContact CB-OG1 3.31Å; Y40-T80 WeakPolarHBondContact CB-OG1 3.29Å; S41-T80 WeakPolarHBondContact OG-CG2 3.17Å; A76-T80 VanDerWaalsContact O-CB 3.24Å; A76-T80 WeakPolarHBondContact O-CB 3.37Å; A76-T80 PolarHBondContact O-N 3.12Å; A76-T80 PolarHBondContact O-OG1 3.19Å; A77-T80 PolarHBondContact O-N 2.8Å; T80-S84 WeakPolarHBondContact O-CB 3.29Å; T80-S84 PolarHBondContact O-N 3.48Å
81T85.4Confident79.4Confident59 Ų5947.3 Ų47.336%0.36225%0.251SS..Hα-helixtrans-65.4-44.4178-57.70000111.5A77 L78 R79 S84 F85 L104A77-T81 VanDerWaalsContact O-CB 3.29Å; A77-T81 WeakPolarHBondContact O-CB 3.24Å; A77-T81 PolarHBondContact O-N 3.41Å; A77-T81 PolarHBondContact O-OG1 3.18Å; L78-T81 PolarHBondContact O-N 3.34Å; R79-T81 VanDerWaalsContact C-N 3.29Å; R79-T81 PolarHBondContact O-N 2.83Å; T81-S84 PolarHBondContact O-N 3.47Å; T81-F85 HydrophobicContact CG2-CD2 3.84Å; T81-F85 HydrophobicContact CG2-CE2 3.51Å; T81-F85 VanDerWaalsContact O-CD2 3.28Å; T81-F85 WeakPolarHBondContact O-CD2 3.39Å; T81-F85 PolarHBondContact O-N 3.3Å; T81-L104 HydrophobicContact CG2-CD2 3.8Å
82L81.3Confident77.2Confident8 Ų851.8 Ų51.84%0.04227%0.271CS..Hα-helixtrans-58.1-53.8177179.570.4000111.7L78 R79 S84 F85 Y86 L104 Y105L78-L82 WeakPolarHBondContact O-CB 3.49Å; L78-L82 PolarHBondContact O-N 3.47Å; R79-L82 PolarHBondContact O-N 2.78Å; L82-S84 VanDerWaalsContact C-N 3.3Å; L82-S84 PolarHBondContact O-N 3.28Å; L82-F85 PolarHBondContact O-N 3.48Å; L82-F85 VanDerWaalsContact O-N 3.14Å; L82-Y86 HydrophobicContact CD1-CD2 4.39Å; L82-Y86 HydrophobicContact CD1-CE2 3.94Å; L82-Y86 HydrophobicContact CG-CD2 4.27Å; L82-Y86 HydrophobicContact CG-CE2 4.08Å; L82-Y86 WeakPolarHBondContact O-CD2 3.5Å; L82-Y86 PolarHBondContact O-N 2.81Å; L82-Y86 VanDerWaalsContact O-N 3.16Å; L82-L104 HydrophobicContact CD1-CB 4.17Å; L82-Y105 HydrophobicContact CD1-CD1 4.13Å; L82-Y105 HydrophobicContact CD1-CE1 3.57Å; L82-Y105 HydrophobicContact CD1-CE2 4.26Å; L82-Y105 HydrophobicContact CD2-CD1 4.43Å; L82-Y105 HydrophobicContact CD2-CE1 4.34Å
83F78.3Confident75.3Confident5 Ų551.9 Ų51.92%0.02227%0.273CS..Hα-helixtrans-66.7-31.5179.5-72.4-73.6000112.6T33 T37 Y40 R79 F85 Y86 F87 L292T33-F83 HydrophobicContact CG2-CB 4.5Å; T33-F83 HydrophobicContact CG2-CD1 4.09Å; T37-F83 VanDerWaalsContact OG1-CB 3.27Å; T37-F83 WeakPolarHBondContact OG1-CB 3.33Å; Y40-F83 AromaticContact CD2-CD2 3.64Å; Y40-F83 HydrophobicContact CD2-CD2 3.64Å; Y40-F83 AromaticContact CD2-CE2 3.84Å; Y40-F83 HydrophobicContact CD2-CE2 3.84Å; Y40-F83 AromaticContact CE2-CD2 3.58Å; Y40-F83 HydrophobicContact CE2-CD2 3.58Å; Y40-F83 AromaticContact CE2-CE2 3.25Å; Y40-F83 HydrophobicContact CE2-CE2 3.25Å; Y40-F83 HydrophobicContact CE2-CZ 4.13Å; R79-F83 VanDerWaalsContact O-CD2 3.24Å; R79-F83 WeakPolarHBondContact O-CD2 3.4Å; R79-F83 PolarHBondContact O-N 3.1Å; R79-F83 VanDerWaalsContact O-N 3.08Å; F83-F85 VanDerWaalsContact C-N 3.34Å; F83-F85 PolarHBondContact O-N 3.07Å; F83-Y86 PolarHBondContact O-N 3.49Å; F83-F87 WeakPolarHBondContact O-CD2 3.4Å; F83-F87 PolarHBondContact O-N 2.89Å; F83-L292 HydrophobicContact CZ-CD1 3.85Å
84S78.4Confident73.3Confident57 Ų5754.9 Ų54.940%0.39929%0.289SS..Hα-helixtrans-66.4-30.4172.3-169.40000113.4T80 T81 L82 F87T80-S84 WeakPolarHBondContact O-CB 3.29Å; T80-S84 PolarHBondContact O-N 3.48Å; T81-S84 PolarHBondContact O-N 3.47Å; L82-S84 VanDerWaalsContact C-N 3.3Å; L82-S84 PolarHBondContact O-N 3.28Å; S84-F87 WeakPolarHBondContact O-CB 3.24Å; S84-F87 PolarHBondContact O-N 2.99Å
85F73.4Confident71.5Confident88 Ų8859.3 Ų59.339%0.38631%0.307SS..Hα-helixtrans-72.1-44.5171.6-81.9-57.5000112.5T81 L82 F83 F87 K88 N89 L104T81-F85 HydrophobicContact CG2-CD2 3.84Å; T81-F85 HydrophobicContact CG2-CE2 3.51Å; T81-F85 VanDerWaalsContact O-CD2 3.28Å; T81-F85 WeakPolarHBondContact O-CD2 3.39Å; T81-F85 PolarHBondContact O-N 3.3Å; L82-F85 PolarHBondContact O-N 3.48Å; L82-F85 VanDerWaalsContact O-N 3.14Å; F83-F85 VanDerWaalsContact C-N 3.34Å; F83-F85 PolarHBondContact O-N 3.07Å; F85-F87 PolarHBondContact O-N 2.79Å; F85-K88 PolarHBondContact O-N 3.39Å; F85-N89 PolarHBondContact O-N 3.32Å; F85-L104 HydrophobicContact CD2-CD1 4.02Å; F85-L104 HydrophobicContact CE2-CD1 4.07Å
86Y68.3Low69.8Low53 Ų5361.5 Ų61.521%0.20832%0.319CS..Hα-helixtrans-55.1-34.1171.5-83.1-70.9000112.1L82 F83 K88 Y105L82-Y86 HydrophobicContact CD1-CD2 4.39Å; L82-Y86 HydrophobicContact CD1-CE2 3.94Å; L82-Y86 HydrophobicContact CG-CD2 4.27Å; L82-Y86 HydrophobicContact CG-CE2 4.08Å; L82-Y86 WeakPolarHBondContact O-CD2 3.5Å; L82-Y86 PolarHBondContact O-N 2.81Å; L82-Y86 VanDerWaalsContact O-N 3.16Å; F83-Y86 PolarHBondContact O-N 3.49Å; Y86-K88 PolarHBondContact O-N 2.9Å; Y86-Y105 PolarHBondContact OH-OH 3.34Å; Y86-Y105 VanDerWaalsContact OH-OH 3.13Å
87F64.7Low68.6Low72 Ų7268.8 Ų68.832%0.31635%0.353SS..Hα-helixtrans-64.7-30.3175.2-104.4-64.3000116L30 T33 T34 T37 F83 S84 F85L30-F87 HydrophobicContact CD1-CD1 4.07Å; L30-F87 HydrophobicContact CD1-CE1 3.55Å; L30-F87 HydrophobicContact CD1-CZ 4.46Å; L30-F87 HydrophobicContact CG-CE1 4.23Å; T33-F87 VanDerWaalsContact C-CE2 3.49Å; T33-F87 HydrophobicContact CG2-CD2 3.71Å; T33-F87 HydrophobicContact CG2-CE2 3.38Å; T33-F87 HydrophobicContact CG2-CG 4.49Å; T33-F87 HydrophobicContact CG2-CZ 3.92Å; T33-F87 WeakPolarHBondContact O-CE2 3.28Å; T34-F87 VanDerWaalsContact CA-CZ 3.47Å; T34-F87 WeakPolarHBondContact OG1-CZ 3.16Å; T37-F87 WeakPolarHBondContact OG1-CE2 3.1Å; F83-F87 WeakPolarHBondContact O-CD2 3.4Å; F83-F87 PolarHBondContact O-N 2.89Å; S84-F87 WeakPolarHBondContact O-CB 3.24Å; S84-F87 PolarHBondContact O-N 2.99Å; F85-F87 PolarHBondContact O-N 2.79Å
88K57.6Low67.4Low171 Ų17171 Ų7174%0.74337%0.366SS*.Hα-helixtrans-105.9-51.9-171.7-76.3-164.9171.5-170.70113.3F85 Y86F85-K88 PolarHBondContact O-N 3.39Å; Y86-K88 PolarHBondContact O-N 2.9Å
89N60Low66.6Low85 Ų8576.3 Ų76.346%0.45539%0.393SS..  trans-143.180.5-170.5-77.4-20.8000110.8F85 V91 Q92 A93F85-N89 PolarHBondContact O-N 3.32Å; N89-V91 VanDerWaalsContact C-N 3.27Å; N89-V91 PolarHBondContact O-N 2.91Å; N89-Q92 HydrophobicContact CB-CB 3.65Å; N89-Q92 PolarHBondContact ND2-OE1 3.19Å; N89-Q92 PolarHBondContact O-N 3.42Å; N89-A93 PolarHBondContact O-N 3.3Å
90V56.8Low65.9Low86 Ų8677.4 Ų77.452%0.52140%0.403SS..Hα-helixtrans-50.4-49174.1-176.70000110.7Q92 A93 N94V90-Q92 PolarHBondContact O-N 3.07Å; V90-Q92 VanDerWaalsContact O-N 3.16Å; V90-A93 WeakPolarHBondContact O-CB 3.3Å; V90-A93 PolarHBondContact O-N 2.94Å; V90-N94 PolarHBondContact O-OD1 3.33Å
91V50.1Low65.3Low122 Ų12279.2 Ų79.274%0.73941%0.408SS*.Hα-helixtrans-62.3-26-178.4-174.50000113.6N89N89-V91 VanDerWaalsContact C-N 3.27Å; N89-V91 PolarHBondContact O-N 2.91Å
92Q46.7Very low65Low114 Ų11478.2 Ų78.253%0.53340%0.397SS..Hα-helixtrans-90.3-20.1-177.3-158.717621.900112.7N89 V90 N94 Q95N89-Q92 HydrophobicContact CB-CB 3.65Å; N89-Q92 PolarHBondContact ND2-OE1 3.19Å; N89-Q92 PolarHBondContact O-N 3.42Å; V90-Q92 PolarHBondContact O-N 3.07Å; V90-Q92 VanDerWaalsContact O-N 3.16Å; Q92-N94 VanDerWaalsContact C-N 3.31Å; Q92-N94 PolarHBondContact O-N 3.45Å; Q92-Q95 PolarHBondContact O-N 3.41Å
93A50.9Low65.1Low5 Ų581.3 Ų81.34%0.04141%0.414CS..Hα-helixtrans-61.3-42.1173.800000111.2N89 V90 Q95 L96N89-A93 PolarHBondContact O-N 3.3Å; V90-A93 WeakPolarHBondContact O-CB 3.3Å; V90-A93 PolarHBondContact O-N 2.94Å; A93-Q95 PolarHBondContact O-N 2.75Å; A93-L96 WeakPolarHBondContact O-CB 3.37Å; A93-L96 WeakPolarHBondContact O-CD1 3.33Å; A93-L96 VanDerWaalsContact O-CG 3.25Å; A93-L96 WeakPolarHBondContact O-CG 3.45Å; A93-L96 PolarHBondContact O-N 2.75Å
94N52.5Low65.1Low84 Ų8481.6 Ų81.645%0.44942%0.415SS..THydrogen-bonded Turntrans-73-2.8178.9-51.970.4000113.7V90 Q92 D276V90-N94 PolarHBondContact O-OD1 3.33Å; Q92-N94 VanDerWaalsContact C-N 3.31Å; Q92-N94 PolarHBondContact O-N 3.45Å; N94-D276 PolarHBondContact ND2-OD1 3.24Å; N94-D276 PolarHBondContact ND2-OD2 3.48Å
95Q53.9Low64.9Low162 Ų16279 Ų7976%0.75740%0.397SS*.THydrogen-bonded Turntrans-117.116.9175.2-65.9-167.1-21.300113.1Q92 A93Q92-Q95 PolarHBondContact O-N 3.41Å; A93-Q95 PolarHBondContact O-N 2.75Å
96L59.8Low65.1Low49 Ų4974.9 Ų74.926%0.25738%0.379SS..  trans-63.1143.4177-77.2169.3000112.4A93 A100 L104A93-L96 WeakPolarHBondContact O-CB 3.37Å; A93-L96 WeakPolarHBondContact O-CD1 3.33Å; A93-L96 VanDerWaalsContact O-CG 3.25Å; A93-L96 WeakPolarHBondContact O-CG 3.45Å; A93-L96 PolarHBondContact O-N 2.75Å; L96-A100 HydrophobicContact CB-CB 4.18Å; L96-A100 HydrophobicContact CD2-CB 4.18Å; L96-L104 HydrophobicContact CD1-CD1 3.83Å
97Q65.9Low65.9Low154 Ų15473 Ų7372%0.7237%0.373SS*.  trans-56.6151.4177-75.1-174.9-14.500112.2L99 A100 Y101Q97-L99 VanDerWaalsContact C-N 3.28Å; Q97-L99 PolarHBondContact O-N 2.92Å; Q97-A100 WeakPolarHBondContact O-CA 3.2Å; Q97-A100 WeakPolarHBondContact O-CB 3.35Å; Q97-A100 PolarHBondContact O-N 3.05Å; Q97-Y101 PolarHBondContact O-N 2.87Å
98P66.9Low67Low75 Ų7569.5 Ų69.549%0.48736%0.358SS..Hα-helixtrans-41.1-47.5-178.7-37.438.5000116W102 Q168P98-W102 PolarHBondContact O-N 3.48Å; P98-Q168 PolarHBondContact O-NE2 3Å
99L71.1Confident68.4Low123 Ų12361.8 Ų61.864%0.64433%0.325SS*.Hα-helixtrans-73.4-33.1179.7-62.8177.4000113.2Q97 L103Q97-L99 VanDerWaalsContact C-N 3.28Å; Q97-L99 PolarHBondContact O-N 2.92Å; L99-L103 WeakPolarHBondContact O-CB 3.15Å; L99-L103 PolarHBondContact O-N 2.85Å
100A74.8Confident69.8Low28 Ų2857.8 Ų57.823%0.23130%0.303CS..Hα-helixtrans-71.9-39.4178.800000111.6L96 Q97 L103 L104L96-A100 HydrophobicContact CB-CB 4.18Å; L96-A100 HydrophobicContact CD2-CB 4.18Å; Q97-A100 WeakPolarHBondContact O-CA 3.2Å; Q97-A100 WeakPolarHBondContact O-CB 3.35Å; Q97-A100 PolarHBondContact O-N 3.05Å; A100-L103 PolarHBondContact O-N 2.67Å; A100-L104 WeakPolarHBondContact O-CB 3.28Å; A100-L104 WeakPolarHBondContact O-CG 3.31Å; A100-L104 PolarHBondContact O-N 3.41Å
101Y75.1Confident71.5Confident63 Ų6354 Ų5425%0.24728%0.28CS..Hα-helixtrans-57.6-53.2170.6179.1-88000111.1Q97 L103 L104 Y105 D273Q97-Y101 PolarHBondContact O-N 2.87Å; Y101-L103 VanDerWaalsContact C-N 3.31Å; Y101-L103 PolarHBondContact O-N 2.98Å; Y101-L104 PolarHBondContact O-N 3.4Å; Y101-Y105 AromaticContact CD2-CD2 3.54Å; Y101-Y105 HydrophobicContact CD2-CD2 3.54Å; Y101-Y105 AromaticContact CD2-CE2 3.72Å; Y101-Y105 HydrophobicContact CD2-CE2 3.72Å; Y101-Y105 AromaticContact CE2-CD2 3.56Å; Y101-Y105 HydrophobicContact CE2-CD2 3.56Å; Y101-Y105 AromaticContact CE2-CE2 3.8Å; Y101-Y105 HydrophobicContact CE2-CE2 3.8Å; Y101-Y105 HydrophobicContact CE2-CG 4.33Å; Y101-Y105 HydrophobicContact CG-CD2 4.07Å; Y101-Y105 WeakPolarHBondContact O-CD2 3.45Å; Y101-Y105 PolarHBondContact O-N 2.94Å; Y101-D273 PolarHBondContact OH-O 2.85Å
102W79.4Confident73.5Confident39 Ų3948.2 Ų48.215%0.14825%0.245CC..Iπ-helixtrans-59.2-41.5177.8175.686.3000112.2P98 C106 C107 L157 L161 A164P98-W102 PolarHBondContact O-N 3.48Å; W102-C106 HydrophobicContact CG-CB 4.31Å; W102-C106 WeakPolarHBondContact O-CA 3.45Å; W102-C106 WeakPolarHBondContact O-CB 3.46Å; W102-C106 PolarHBondContact O-N 2.85Å; W102-C106 VanDerWaalsContact O-N 3.08Å; W102-C107 HydrophobicContact CE3-CB 4.4Å; W102-C107 HydrophobicContact CH2-CB 4.19Å; W102-C107 HydrophobicContact CZ2-CB 4.47Å; W102-C107 HydrophobicContact CZ3-CB 4.15Å; W102-C107 PolarHBondContact O-N 2.88Å; W102-L157 HydrophobicContact CH2-CD1 4.04Å; W102-L157 HydrophobicContact CZ2-CD1 3.65Å; W102-L161 HydrophobicContact CD2-CD1 4.14Å; W102-L161 HydrophobicContact CG-CD1 4.21Å; W102-L161 HydrophobicContact CZ2-CD1 4.44Å; W102-A164 HydrophobicContact CB-CB 4.37Å; W102-A164 HydrophobicContact CG-CB 4.39Å
103L82.4Confident75.7Confident73 Ų7342.8 Ų42.838%0.38222%0.22SC..Iπ-helixtrans-68.9-33.2-178-17661.1000113.1L78 L99 A100 Y101 C107L78-L103 HydrophobicContact CD1-CD1 4.29Å; L78-L103 HydrophobicContact CD2-CD1 3.92Å; L78-L103 HydrophobicContact CD2-CD2 4.42Å; L78-L103 HydrophobicContact CD2-CG 3.74Å; L78-L103 WeakPolarHBondContact CD2-O 3.43Å; L99-L103 WeakPolarHBondContact O-CB 3.15Å; L99-L103 PolarHBondContact O-N 2.85Å; A100-L103 PolarHBondContact O-N 2.67Å; Y101-L103 VanDerWaalsContact C-N 3.31Å; Y101-L103 PolarHBondContact O-N 2.98Å; L103-C107 HydrophobicContact CD1-CB 4.17Å; L103-C107 WeakPolarHBondContact O-CB 3.34Å
104L79.3Confident77.8Confident11 Ų1144.6 Ų44.66%0.05823%0.227CC..Iπ-helixtrans-92.4-32.8-176.2-69.8169.8000114.2L78 T81 L82 F85 L96 A100 Y101 P108L78-L104 HydrophobicContact CD2-CD2 4.27Å; T81-L104 HydrophobicContact CG2-CD2 3.8Å; L82-L104 HydrophobicContact CD1-CB 4.17Å; F85-L104 HydrophobicContact CD2-CD1 4.02Å; F85-L104 HydrophobicContact CE2-CD1 4.07Å; L96-L104 HydrophobicContact CD1-CD1 3.83Å; A100-L104 WeakPolarHBondContact O-CB 3.28Å; A100-L104 WeakPolarHBondContact O-CG 3.31Å; A100-L104 PolarHBondContact O-N 3.41Å; Y101-L104 PolarHBondContact O-N 3.4Å; L104-P108 WeakPolarHBondContact O-CG 3.5Å
105Y73.7Confident79.7Confident3 Ų341 Ų411%0.01221%0.208CC..Iπ-helixtrans-99.5-47.6-179.6-65.4-76.4000113.2L82 Y86 Y101L82-Y105 HydrophobicContact CD1-CD1 4.13Å; L82-Y105 HydrophobicContact CD1-CE1 3.57Å; L82-Y105 HydrophobicContact CD1-CE2 4.26Å; L82-Y105 HydrophobicContact CD2-CD1 4.43Å; L82-Y105 HydrophobicContact CD2-CE1 4.34Å; Y86-Y105 PolarHBondContact OH-OH 3.34Å; Y86-Y105 VanDerWaalsContact OH-OH 3.13Å; Y101-Y105 AromaticContact CD2-CD2 3.54Å; Y101-Y105 HydrophobicContact CD2-CD2 3.54Å; Y101-Y105 AromaticContact CD2-CE2 3.72Å; Y101-Y105 HydrophobicContact CD2-CE2 3.72Å; Y101-Y105 AromaticContact CE2-CD2 3.56Å; Y101-Y105 HydrophobicContact CE2-CD2 3.56Å; Y101-Y105 AromaticContact CE2-CE2 3.8Å; Y101-Y105 HydrophobicContact CE2-CE2 3.8Å; Y101-Y105 HydrophobicContact CE2-CG 4.33Å; Y101-Y105 HydrophobicContact CG-CD2 4.07Å; Y101-Y105 WeakPolarHBondContact O-CD2 3.45Å; Y101-Y105 PolarHBondContact O-N 2.94Å
106C77.8Confident81.5Confident1 Ų133.3 Ų33.31%0.00717%0.172CC..Iπ-helixtrans-90-41.9-169-173.70000112.9W102 V109 C110 R189W102-C106 HydrophobicContact CG-CB 4.31Å; W102-C106 WeakPolarHBondContact O-CA 3.45Å; W102-C106 WeakPolarHBondContact O-CB 3.46Å; W102-C106 PolarHBondContact O-N 2.85Å; W102-C106 VanDerWaalsContact O-N 3.08Å; C106-V109 WeakPolarHBondContact O-CB 3.26Å; C106-V109 PolarHBondContact O-N 2.74Å; C106-V109 VanDerWaalsContact O-N 3.15Å; C106-C110 PolarHBondContact O-N 3.08Å; C106-R189 PolarHBondContact SG-NH2 2.98Å
107C85.6Confident83.2Confident12 Ų1231 Ų318%0.08116%0.16CC..Hα-helixtrans-59.4-37-180-167.50000114.7L78 W102 L103 V109 C110 L111L78-C107 HydrophobicContact CD1-CB 4.24Å; W102-C107 HydrophobicContact CE3-CB 4.4Å; W102-C107 HydrophobicContact CH2-CB 4.19Å; W102-C107 HydrophobicContact CZ2-CB 4.47Å; W102-C107 HydrophobicContact CZ3-CB 4.15Å; W102-C107 PolarHBondContact O-N 2.88Å; L103-C107 HydrophobicContact CD1-CB 4.17Å; L103-C107 WeakPolarHBondContact O-CB 3.34Å; C107-V109 PolarHBondContact O-N 2.67Å; C107-C110 WeakPolarHBondContact O-CA 3.19Å; C107-C110 WeakPolarHBondContact O-CB 3.37Å; C107-C110 PolarHBondContact O-N 3.11Å; C107-L111 WeakPolarHBondContact O-CG 3.17Å; C107-L111 PolarHBondContact O-N 3.28Å
108P87.3Confident84.4Confident0 Ų025.1 Ų25.10%013%0.133CC..Hα-helixtrans-54.4-35.7173.6-29.237.1000114.2W75 L78 L104 L111 Q112W75-P108 VanDerWaalsContact CD1-O 3.31Å; L78-P108 HydrophobicContact CB-CG 4.14Å; L78-P108 HydrophobicContact CD1-CG 4.31Å; L104-P108 WeakPolarHBondContact O-CG 3.5Å; P108-L111 PolarHBondContact O-N 2.9Å; P108-Q112 WeakPolarHBondContact O-CG 3.24Å; P108-Q112 PolarHBondContact O-N 2.88Å; P108-Q112 VanDerWaalsContact O-N 3.1Å
109V86.4Confident85.6Confident9 Ų921.9 Ų21.96%0.05511%0.112CC..Hα-helixtrans-69.1-41.6176.4-169.40000110.9C106 C107 L111 Q112 F113 F156 F197 S272C106-V109 WeakPolarHBondContact O-CB 3.26Å; C106-V109 PolarHBondContact O-N 2.74Å; C106-V109 VanDerWaalsContact O-N 3.15Å; C107-V109 PolarHBondContact O-N 2.67Å; V109-L111 VanDerWaalsContact C-N 3.32Å; V109-L111 PolarHBondContact O-N 3.38Å; V109-Q112 PolarHBondContact O-N 3.27Å; V109-F113 PolarHBondContact O-N 3.33Å; V109-F156 HydrophobicContact CG1-CE1 4.41Å; V109-F156 HydrophobicContact CG1-CZ 4.08Å; V109-F197 HydrophobicContact CG1-CE2 4.06Å; V109-F197 HydrophobicContact CG1-CZ 4.34Å; V109-S272 WeakPolarHBondContact CG2-OG 3.38Å
110C90.5Very high86.7Confident0 Ų016 Ų160%08%0.081CC..Hα-helixtrans-59.1-42.3173.2-60.80000111.7C106 C107 Q112 F113 F114 F156 L157C106-C110 PolarHBondContact O-N 3.08Å; C107-C110 WeakPolarHBondContact O-CA 3.19Å; C107-C110 WeakPolarHBondContact O-CB 3.37Å; C107-C110 PolarHBondContact O-N 3.11Å; C110-Q112 PolarHBondContact O-N 2.98Å; C110-F113 PolarHBondContact O-N 2.91Å; C110-F114 HydrophobicContact CB-CE1 4.3Å; C110-F114 HydrophobicContact CB-CZ 4.2Å; C110-F114 WeakPolarHBondContact O-CB 3.28Å; C110-F114 WeakPolarHBondContact O-CD1 3.46Å; C110-F114 WeakPolarHBondContact O-CG 3.23Å; C110-F114 PolarHBondContact O-N 3.07Å; C110-F156 HydrophobicContact CB-CD1 4.37Å; C110-F156 HydrophobicContact CB-CE1 4.34Å; C110-L157 HydrophobicContact CB-CD1 4.09Å
111L91.6Very high87.5Confident6 Ų615.1 Ų15.13%0.0317%0.072CC..Hα-helixtrans-67.2-34.9178.5-62.1173.2000112.8L71 L74 W75 L78 C107 P108 V109 F114 T115L71-L111 HydrophobicContact CD2-CD2 3.77Å; L74-L111 HydrophobicContact CB-CD1 4.2Å; L74-L111 HydrophobicContact CD2-CD1 4Å; L74-L111 HydrophobicContact CD2-CD2 3.92Å; L74-L111 HydrophobicContact CG-CD1 3.78Å; W75-L111 HydrophobicContact CB-CB 4.18Å; W75-L111 HydrophobicContact CB-CD1 3.94Å; L78-L111 HydrophobicContact CD1-CD1 3.73Å; C107-L111 WeakPolarHBondContact O-CG 3.17Å; C107-L111 PolarHBondContact O-N 3.28Å; P108-L111 PolarHBondContact O-N 2.9Å; V109-L111 VanDerWaalsContact C-N 3.32Å; V109-L111 PolarHBondContact O-N 3.38Å; L111-F114 HydrophobicContact CD2-CD2 4.2Å; L111-T115 WeakPolarHBondContact O-CB 3.38Å; L111-T115 PolarHBondContact O-N 3.47Å; L111-T115 PolarHBondContact O-OG1 3.38Å
112Q91.9Very high88.2Confident2 Ų213.8 Ų13.81%0.0097%0.067CC..Hα-helixtrans-64.6-44.9170.8-75.4164.5-2.500111.3P108 V109 C110 T115 L116 F197 Y242 E296P108-Q112 WeakPolarHBondContact O-CG 3.24Å; P108-Q112 PolarHBondContact O-N 2.88Å; P108-Q112 VanDerWaalsContact O-N 3.1Å; V109-Q112 PolarHBondContact O-N 3.27Å; C110-Q112 PolarHBondContact O-N 2.98Å; Q112-T115 WeakPolarHBondContact O-CB 3.31Å; Q112-T115 PolarHBondContact O-N 3.47Å; Q112-L116 PolarHBondContact O-N 2.89Å; Q112-F197 HydrophobicContact CB-CZ 4.41Å; Q112-Y242 HydrophobicContact CB-CE1 4.16Å; Q112-E296 VanDerWaalsContact NE2-CD 3.28Å; Q112-E296 PolarHBondContact NE2-OE2 2.98Å
113F92.8Very high88.6Confident0 Ų012.1 Ų12.10%06%0.061CC..Hα-helixtrans-63-43.5175.3-173.4-106.1000112.4V109 C110 T115 L116 C117 L152 F156 L196 F197 C200V109-F113 PolarHBondContact O-N 3.33Å; C110-F113 PolarHBondContact O-N 2.91Å; F113-T115 VanDerWaalsContact C-N 3.27Å; F113-T115 PolarHBondContact O-N 2.92Å; F113-L116 PolarHBondContact O-N 3.1Å; F113-L116 VanDerWaalsContact O-N 3.15Å; F113-C117 WeakPolarHBondContact CE1-SG 3.46Å; F113-C117 VanDerWaalsContact CZ-SG 3.54Å; F113-C117 WeakPolarHBondContact O-CB 3.36Å; F113-C117 PolarHBondContact O-N 2.77Å; F113-L152 HydrophobicContact CE1-CG 4.29Å; F113-L152 HydrophobicContact CZ-CD2 4.07Å; F113-L152 HydrophobicContact CZ-CG 4.05Å; F113-F156 HydrophobicContact CB-CD1 4.02Å; F113-F156 HydrophobicContact CB-CD2 4.15Å; F113-F156 HydrophobicContact CB-CE1 3.89Å; F113-F156 HydrophobicContact CB-CE2 4Å; F113-F156 HydrophobicContact CB-CG 4.18Å; F113-F156 HydrophobicContact CB-CZ 3.89Å; F113-F156 HydrophobicContact CD1-CB 3.52Å; F113-F156 AromaticContact CD1-CD1 3.94Å; F113-F156 HydrophobicContact CD1-CD1 3.94Å; F113-F156 AromaticContact CD1-CD2 3.51Å; F113-F156 HydrophobicContact CD1-CD2 3.51Å; F113-F156 HydrophobicContact CD1-CE2 4.2Å; F113-F156 AromaticContact CD1-CG 3.37Å; F113-F156 HydrophobicContact CD1-CG 3.37Å; F113-F156 AromaticContact CD2-CD2 3.77Å; F113-F156 HydrophobicContact CD2-CD2 3.77Å; F113-F156 AromaticContact CD2-CE2 3.8Å; F113-F156 HydrophobicContact CD2-CE2 3.8Å; F113-F156 HydrophobicContact CD2-CG 4.44Å; F113-F156 HydrophobicContact CE1-CB 3.57Å; F113-F156 AromaticContact CE1-CD2 3.76Å; F113-F156 HydrophobicContact CE1-CD2 3.76Å; F113-F156 AromaticContact CE1-CG 3.8Å; F113-F156 HydrophobicContact CE1-CG 3.8Å; F113-F156 HydrophobicContact CE2-CD2 4.02Å; F113-F156 HydrophobicContact CE2-CE2 4.35Å; F113-F156 HydrophobicContact CG-CB 4.37Å; F113-F156 HydrophobicContact CG-CD1 4.1Å; F113-F156 AromaticContact CG-CD2 3.51Å; F113-F156 HydrophobicContact CG-CD2 3.51Å; F113-F156 HydrophobicContact CG-CE1 4.3Å; F113-F156 AromaticContact CG-CE2 3.72Å; F113-F156 HydrophobicContact CG-CE2 3.72Å; F113-F156 AromaticContact CG-CG 3.73Å; F113-F156 HydrophobicContact CG-CG 3.73Å; F113-F156 HydrophobicContact CG-CZ 4.13Å; F113-F156 HydrophobicContact CZ-CB 4.47Å; F113-F156 HydrophobicContact CZ-CD2 4.01Å; F113-L196 HydrophobicContact CE2-CB 3.81Å; F113-L196 HydrophobicContact CZ-CB 3.97Å; F113-F197 HydrophobicContact CB-CE1 4.16Å; F113-F197 HydrophobicContact CB-CE2 4.27Å; F113-F197 HydrophobicContact CB-CZ 3.73Å; F113-F197 HydrophobicContact CD2-CD1 4.14Å; F113-F197 HydrophobicContact CD2-CD2 4.32Å; F113-F197 HydrophobicContact CD2-CE1 4.06Å; F113-F197 HydrophobicContact CD2-CE2 4.25Å; F113-F197 HydrophobicContact CD2-CG 4.26Å; F113-F197 HydrophobicContact CD2-CZ 4.11Å; F113-F197 HydrophobicContact CG-CZ 4.43Å; F113-C200 HydrophobicContact CE2-CB 4.24Å
114F94.4Very high89Confident42 Ų429 Ų918%0.1845%0.045CC..Hα-helixtrans-60.8-39.3175.6-64.2-1.7000111.2L71 C110 L111 C117 L118 S153 L157L71-F114 HydrophobicContact CD1-CB 3.77Å; L71-F114 HydrophobicContact CD2-CB 4.46Å; L71-F114 HydrophobicContact CD2-CD2 4.2Å; C110-F114 HydrophobicContact CB-CE1 4.3Å; C110-F114 HydrophobicContact CB-CZ 4.2Å; C110-F114 WeakPolarHBondContact O-CB 3.28Å; C110-F114 WeakPolarHBondContact O-CD1 3.46Å; C110-F114 WeakPolarHBondContact O-CG 3.23Å; C110-F114 PolarHBondContact O-N 3.07Å; L111-F114 HydrophobicContact CD2-CD2 4.2Å; F114-C117 PolarHBondContact O-N 2.9Å; F114-L118 WeakPolarHBondContact O-CB 3.38Å; F114-L118 WeakPolarHBondContact O-CG 3.47Å; F114-L118 PolarHBondContact O-N 3.21Å; F114-S153 VanDerWaalsContact CE1-O 3.31Å; F114-S153 WeakPolarHBondContact CE1-O 3.22Å; F114-L157 HydrophobicContact CE1-CB 4.38Å; F114-L157 HydrophobicContact CZ-CB 4.05Å; F114-L157 HydrophobicContact CZ-CD1 4.01Å; F114-L157 HydrophobicContact CZ-CD2 4.27Å; F114-L157 HydrophobicContact CZ-CG 4.34Å
115T93Very high89.4Confident8 Ų89.5 Ų9.55%0.0495%0.047CC..Hα-helixtrans-63-43.1174.9-61.20000111.2F68 L111 Q112 F113 L118 L119 V303F68-T115 HydrophobicContact CD1-CG2 4.25Å; F68-T115 HydrophobicContact CE1-CG2 4.49Å; L111-T115 WeakPolarHBondContact O-CB 3.38Å; L111-T115 PolarHBondContact O-N 3.47Å; L111-T115 PolarHBondContact O-OG1 3.38Å; Q112-T115 WeakPolarHBondContact O-CB 3.31Å; Q112-T115 PolarHBondContact O-N 3.47Å; F113-T115 VanDerWaalsContact C-N 3.27Å; F113-T115 PolarHBondContact O-N 2.92Å; T115-L118 PolarHBondContact O-N 3.45Å; T115-L119 WeakPolarHBondContact O-CB 3.42Å; T115-L119 PolarHBondContact O-N 2.91Å; T115-V303 HydrophobicContact CG2-CG1 3.94Å; T115-V303 HydrophobicContact CG2-CG2 4.45Å
116L92.8Very high89.9Confident1 Ų19.6 Ų9.61%0.0055%0.048CC..Hα-helixtrans-66.6-39175.9-175.460.9000112.8Q112 F113 L119 N120 F197 C200 L204 Y242Q112-L116 PolarHBondContact O-N 2.89Å; F113-L116 PolarHBondContact O-N 3.1Å; F113-L116 VanDerWaalsContact O-N 3.15Å; L116-L119 PolarHBondContact O-N 3.35Å; L116-N120 PolarHBondContact O-N 2.87Å; L116-N120 PolarHBondContact O-ND2 2.94Å; L116-F197 HydrophobicContact CD2-CD1 3.66Å; L116-F197 HydrophobicContact CD2-CE1 4.21Å; L116-C200 HydrophobicContact CD2-CB 3.89Å; L116-C200 HydrophobicContact CG-CB 4.18Å; L116-L204 HydrophobicContact CD1-CD2 3.65Å; L116-Y242 HydrophobicContact CB-CE2 4.32Å; L116-Y242 HydrophobicContact CD1-CD2 3.95Å; L116-Y242 HydrophobicContact CD1-CE2 4.19Å; L116-Y242 HydrophobicContact CD2-CD2 4.1Å; L116-Y242 HydrophobicContact CD2-CG 4.32Å; L116-Y242 HydrophobicContact CG-CD2 4.46Å
117C94.1Very high90.2Very high2 Ų210.7 Ų10.71%0.0145%0.053CC..Hα-helixtrans-64.5-42.4173.3-77.50000112.2F113 F114 L119 L121 F149F113-C117 WeakPolarHBondContact CE1-SG 3.46Å; F113-C117 VanDerWaalsContact CZ-SG 3.54Å; F113-C117 WeakPolarHBondContact O-CB 3.36Å; F113-C117 PolarHBondContact O-N 2.77Å; F114-C117 PolarHBondContact O-N 2.9Å; C117-L119 VanDerWaalsContact C-N 3.34Å; C117-L121 VanDerWaalsContact O-CB 3.28Å; C117-L121 WeakPolarHBondContact O-CB 3.35Å; C117-L121 PolarHBondContact O-N 2.97Å; C117-F149 HydrophobicContact CB-CB 4.49Å; C117-F149 HydrophobicContact CB-CD1 3.95Å
118L92.4Very high90.1Very high30 Ų3011.8 Ų11.816%0.1576%0.057CC..Hα-helixtrans-66.5-34.6173.1-72.8-175.1000112.3Y64 V67 F68 L71 F114 T115 L121 Y122Y64-L118 HydrophobicContact CE1-CD2 4.46Å; V67-L118 HydrophobicContact CB-CD1 4.25Å; V67-L118 HydrophobicContact CG1-CD1 3.55Å; F68-L118 HydrophobicContact CD1-CB 4.08Å; F68-L118 HydrophobicContact CD1-CD1 4.43Å; F68-L118 HydrophobicContact CE1-CB 3.39Å; F68-L118 VanDerWaalsContact CZ-C 3.4Å; F68-L118 HydrophobicContact CZ-CB 3.66Å; F68-L118 WeakPolarHBondContact CZ-O 3.5Å; L71-L118 HydrophobicContact CD1-CD1 3.58Å; L71-L118 HydrophobicContact CD1-CG 4.47Å; F114-L118 WeakPolarHBondContact O-CB 3.38Å; F114-L118 WeakPolarHBondContact O-CG 3.47Å; F114-L118 PolarHBondContact O-N 3.21Å; T115-L118 PolarHBondContact O-N 3.45Å; L118-L121 HydrophobicContact CD2-CD2 4.13Å; L118-L121 PolarHBondContact O-N 3.39Å; L118-Y122 VanDerWaalsContact O-CB 3.3Å; L118-Y122 WeakPolarHBondContact O-CB 3.3Å; L118-Y122 PolarHBondContact O-N 2.95Å
119L91.6Very high89.9Confident6 Ų616.9 Ų16.93%0.0318%0.079CC..Hα-helixtrans-65-46.1177.7-166.459.4000111.1F68 T115 L116 C117 L121 Y122 F123 L204 V238 V303 F307F68-L119 HydrophobicContact CE1-CB 4.27Å; F68-L119 HydrophobicContact CZ-CB 4.39Å; F68-L119 HydrophobicContact CZ-CD1 4.33Å; T115-L119 WeakPolarHBondContact O-CB 3.42Å; T115-L119 PolarHBondContact O-N 2.91Å; L116-L119 PolarHBondContact O-N 3.35Å; C117-L119 VanDerWaalsContact C-N 3.34Å; L119-L121 PolarHBondContact O-N 3.47Å; L119-Y122 PolarHBondContact O-N 3.29Å; L119-F123 HydrophobicContact CD1-CD2 3.99Å; L119-F123 HydrophobicContact CD1-CE2 3.54Å; L119-F123 HydrophobicContact CG-CD2 4.05Å; L119-F123 HydrophobicContact CG-CE2 3.88Å; L119-F123 VanDerWaalsContact O-CD2 3.3Å; L119-F123 WeakPolarHBondContact O-CD2 3.48Å; L119-F123 PolarHBondContact O-N 2.83Å; L119-L204 HydrophobicContact CD2-CD2 3.7Å; L119-L204 HydrophobicContact CG-CD1 4.14Å; L119-L204 HydrophobicContact CG-CD2 4.08Å; L119-V238 HydrophobicContact CD2-CG1 3.93Å; L119-V303 HydrophobicContact CD2-CG2 4.49Å; L119-F307 HydrophobicContact CD1-CE2 3.87Å; L119-F307 HydrophobicContact CD1-CZ 4Å
120N93.6Very high89.6Confident0 Ų016.9 Ų16.90%08%0.079CC..Hα-helixtrans-54.7-50.7168.3-89.7-83.1000112.2L116 Y122 F123 T124 F149 C200 S203 L204L116-N120 PolarHBondContact O-N 2.87Å; L116-N120 PolarHBondContact O-ND2 2.94Å; N120-Y122 VanDerWaalsContact C-N 3.31Å; N120-Y122 PolarHBondContact O-N 3.45Å; N120-F123 PolarHBondContact O-N 3.08Å; N120-T124 VanDerWaalsContact O-CB 3.29Å; N120-T124 WeakPolarHBondContact O-CB 3.18Å; N120-T124 PolarHBondContact O-N 3.38Å; N120-T124 PolarHBondContact O-OG1 3.39Å; N120-F149 HydrophobicContact CB-CD1 4.45Å; N120-F149 HydrophobicContact CB-CE1 3.63Å; N120-F149 HydrophobicContact CB-CE2 4.22Å; N120-F149 HydrophobicContact CB-CZ 3.5Å; N120-C200 PolarHBondContact ND2-O 3.46Å; N120-C200 PolarHBondContact ND2-SG 3.15Å; N120-C200 PolarHBondContact OD1-O 2.8Å; N120-S203 VanDerWaalsContact OD1-C 3.31Å; N120-S203 WeakPolarHBondContact OD1-CB 3.27Å; N120-S203 PolarHBondContact OD1-OG 2.89Å; N120-L204 VanDerWaalsContact OD1-CA 3.31Å; N120-L204 WeakPolarHBondContact OD1-CA 3.44Å; N120-L204 PolarHBondContact OD1-N 2.9Å
121L91.9Very high89Confident9 Ų921.5 Ų21.55%0.04710%0.1CC..Hα-helixtrans-64.9-33.5-177.1-179.859.7000112.6Y64 C117 L118 L119 Q125 L145 R146 F149Y64-L121 HydrophobicContact CE1-CD2 3.96Å; Y64-L121 HydrophobicContact CE1-CG 4.06Å; C117-L121 VanDerWaalsContact O-CB 3.28Å; C117-L121 WeakPolarHBondContact O-CB 3.35Å; C117-L121 PolarHBondContact O-N 2.97Å; L118-L121 HydrophobicContact CD2-CD2 4.13Å; L118-L121 PolarHBondContact O-N 3.39Å; L119-L121 PolarHBondContact O-N 3.47Å; L121-Q125 WeakPolarHBondContact O-CB 3.36Å; L121-Q125 WeakPolarHBondContact O-CG 3.25Å; L121-Q125 PolarHBondContact O-N 3.03Å; L121-Q125 VanDerWaalsContact O-N 3.17Å; L121-Q125 PolarHBondContact O-NE2 3.23Å; L121-L145 HydrophobicContact CD1-CD2 3.86Å; L121-L145 HydrophobicContact CD1-CG 3.92Å; L121-R146 HydrophobicContact CD1-CG 3.84Å; L121-R146 HydrophobicContact CD2-CG 4.15Å; L121-F149 HydrophobicContact CB-CD2 4.03Å; L121-F149 HydrophobicContact CB-CG 4.42Å; L121-F149 HydrophobicContact CD1-CD2 4.07Å
122Y89.5Confident88Confident35 Ų3522.3 Ų22.314%0.13711%0.107CC..Hα-helixtrans-66.4-57.5173.2169.8-94.4000110.9Y64 F68 L118 L119 N120 T124 Q125 V126 F306 F307Y64-Y122 HydrophobicContact CG-CD2 4.38Å; F68-Y122 HydrophobicContact CE2-CG 4.41Å; L118-Y122 VanDerWaalsContact O-CB 3.3Å; L118-Y122 WeakPolarHBondContact O-CB 3.3Å; L118-Y122 PolarHBondContact O-N 2.95Å; L119-Y122 PolarHBondContact O-N 3.29Å; N120-Y122 VanDerWaalsContact C-N 3.31Å; N120-Y122 PolarHBondContact O-N 3.45Å; Y122-T124 PolarHBondContact O-N 2.93Å; Y122-Q125 PolarHBondContact O-N 2.93Å; Y122-Q125 VanDerWaalsContact O-N 3.08Å; Y122-V126 HydrophobicContact CE1-CG2 4.13Å; Y122-V126 HydrophobicContact CE2-CG2 4.48Å; Y122-V126 PolarHBondContact O-N 2.83Å; Y122-F306 HydrophobicContact CE1-CE1 4.19Å; Y122-F307 HydrophobicContact CD1-CE1 4.28Å; Y122-F307 HydrophobicContact CD1-CZ 4.02Å; Y122-F307 HydrophobicContact CD2-CE1 4.08Å; Y122-F307 HydrophobicContact CD2-CZ 4.37Å; Y122-F307 HydrophobicContact CE1-CE1 4.11Å; Y122-F307 HydrophobicContact CE1-CZ 4.21Å; Y122-F307 AromaticContact CE2-CE1 3.88Å; Y122-F307 HydrophobicContact CE2-CE1 3.88Å; Y122-F307 HydrophobicContact CG-CE1 4.28Å; Y122-F307 HydrophobicContact CG-CZ 4.12Å; Y122-F307 AromaticContact CZ-CE1 3.9Å
123F88.8Confident86.9Confident4 Ų430.8 Ų30.82%0.01814%0.144CC..Hα-helixtrans-63.6-41.6-178.4-77.9-63.2000111.9L119 N120 Q125 V126 M127 L204 C207 I208 I211 A231 F306L119-F123 HydrophobicContact CD1-CD2 3.99Å; L119-F123 HydrophobicContact CD1-CE2 3.54Å; L119-F123 HydrophobicContact CG-CD2 4.05Å; L119-F123 HydrophobicContact CG-CE2 3.88Å; L119-F123 VanDerWaalsContact O-CD2 3.3Å; L119-F123 WeakPolarHBondContact O-CD2 3.48Å; L119-F123 PolarHBondContact O-N 2.83Å; N120-F123 PolarHBondContact O-N 3.08Å; F123-Q125 PolarHBondContact O-N 3.33Å; F123-V126 WeakPolarHBondContact O-CB 3.27Å; F123-V126 PolarHBondContact O-N 3.35Å; F123-M127 PolarHBondContact O-N 3.44Å; F123-L204 HydrophobicContact CD2-CD1 3.55Å; F123-L204 HydrophobicContact CE2-CD1 4.16Å; F123-L204 HydrophobicContact CG-CD1 4.43Å; F123-C207 HydrophobicContact CB-CB 4.38Å; F123-I208 HydrophobicContact CD2-CG1 4.32Å; F123-I208 HydrophobicContact CE2-CD1 4.37Å; F123-I208 HydrophobicContact CE2-CG1 4.37Å; F123-I208 HydrophobicContact CG-CG1 4.46Å; F123-I211 HydrophobicContact CB-CD1 3.72Å; F123-I211 HydrophobicContact CD1-CD1 3.7Å; F123-I211 HydrophobicContact CG-CD1 4.14Å; F123-I211 WeakPolarHBondContact O-CD1 3.3Å; F123-A231 HydrophobicContact CE1-CB 4.3Å; F123-A231 HydrophobicContact CZ-CB 4.46Å; F123-F306 HydrophobicContact CZ-CE1 4.27Å; F123-F306 HydrophobicContact CZ-CZ 4.16Å
124T89.6Confident85.5Confident9 Ų938.8 Ų38.86%0.05518%0.176CC..Hα-helixtrans-59.4-37.1174.2-51.40000111.7N120 Y122 M127 F128 L145 C207N120-T124 VanDerWaalsContact O-CB 3.29Å; N120-T124 WeakPolarHBondContact O-CB 3.18Å; N120-T124 PolarHBondContact O-N 3.38Å; N120-T124 PolarHBondContact O-OG1 3.39Å; Y122-T124 PolarHBondContact O-N 2.93Å; T124-M127 HydrophobicContact CG2-CE 4.12Å; T124-M127 PolarHBondContact O-N 3.14Å; T124-F128 HydrophobicContact CG2-CD1 4.17Å; T124-F128 HydrophobicContact CG2-CD2 4.44Å; T124-F128 HydrophobicContact CG2-CE1 3.85Å; T124-F128 HydrophobicContact CG2-CE2 4.14Å; T124-F128 HydrophobicContact CG2-CG 4.46Å; T124-F128 HydrophobicContact CG2-CZ 3.83Å; T124-F128 WeakPolarHBondContact O-CB 3.34Å; T124-F128 WeakPolarHBondContact O-CD1 3.48Å; T124-F128 WeakPolarHBondContact O-CG 3.22Å; T124-F128 PolarHBondContact O-N 3.08Å; T124-L145 HydrophobicContact CG2-CD1 4.17Å; T124-L145 HydrophobicContact CG2-CD2 3.41Å; T124-L145 VanDerWaalsContact CG2-CD2 3.41Å; T124-L145 HydrophobicContact CG2-CG 4.43Å; T124-C207 PolarHBondContact OG1-SG 3.2Å; T124-C207 VanDerWaalsContact OG1-SG 3.36Å
125Q87.8Confident84.1Confident21 Ų2139.5 Ų39.510%0.09819%0.186CC..Hα-helixtrans-72.7-29.5174.2-81.1178.169.500113.9Y64 L121 Y122 F123 K129Y64-Q125 VanDerWaalsContact CZ-NE2 3.33Å; Y64-Q125 PolarHBondContact OH-NE2 3.4Å; L121-Q125 WeakPolarHBondContact O-CB 3.36Å; L121-Q125 WeakPolarHBondContact O-CG 3.25Å; L121-Q125 PolarHBondContact O-N 3.03Å; L121-Q125 VanDerWaalsContact O-N 3.17Å; L121-Q125 PolarHBondContact O-NE2 3.23Å; Y122-Q125 PolarHBondContact O-N 2.93Å; Y122-Q125 VanDerWaalsContact O-N 3.08Å; F123-Q125 PolarHBondContact O-N 3.33Å; Q125-K129 WeakPolarHBondContact O-CB 3.17Å; Q125-K129 WeakPolarHBondContact O-CG 3.38Å; Q125-K129 PolarHBondContact O-N 3.33Å
126V85.2Confident82.9Confident4 Ų443.8 Ų43.82%0.02421%0.214CC..Hα-helixtrans-62.8-50.4168.3173.70000109.9Y122 F123 F128 K129 A130 I211 A217 Y220 L221Y122-V126 HydrophobicContact CE1-CG2 4.13Å; Y122-V126 HydrophobicContact CE2-CG2 4.48Å; Y122-V126 PolarHBondContact O-N 2.83Å; F123-V126 WeakPolarHBondContact O-CB 3.27Å; F123-V126 PolarHBondContact O-N 3.35Å; V126-F128 PolarHBondContact O-N 3.28Å; V126-K129 PolarHBondContact O-N 2.95Å; V126-A130 WeakPolarHBondContact O-CB 3.43Å; V126-A130 PolarHBondContact O-N 2.88Å; V126-I211 HydrophobicContact CB-CD1 4.43Å; V126-I211 HydrophobicContact CG1-CD1 4.5Å; V126-A217 HydrophobicContact CG1-CB 4.43Å; V126-Y220 HydrophobicContact CG1-CD1 3.78Å; V126-Y220 HydrophobicContact CG1-CE1 4.28Å; V126-Y220 HydrophobicContact CG2-CD1 4.24Å; V126-Y220 HydrophobicContact CG2-CE1 3.91Å; V126-L221 HydrophobicContact CG1-CD2 4.19Å; V126-L221 HydrophobicContact CG1-CG 4.2Å; V126-L221 HydrophobicContact CG2-CD2 4.36Å
127M84.3Confident81.9Confident25 Ų2548.3 Ų48.312%0.12324%0.235CC..Hα-helixtrans-58.5-45.3175.6-179.6178.555.300112.1F123 T124 K129 A130 K131 K210 I211 M214F123-M127 PolarHBondContact O-N 3.44Å; T124-M127 HydrophobicContact CG2-CE 4.12Å; T124-M127 PolarHBondContact O-N 3.14Å; M127-K129 PolarHBondContact O-N 2.7Å; M127-A130 PolarHBondContact O-N 2.74Å; M127-K131 PolarHBondContact O-N 3.22Å; M127-K210 HydrophobicContact SD-CB 3.75Å; M127-K210 HydrophobicContact SD-CG 4.4Å; M127-I211 HydrophobicContact CB-CD1 4.39Å; M127-I211 HydrophobicContact CB-CG1 4Å; M127-M214 HydrophobicContact CG-CE 4.35Å; M127-M214 HydrophobicContact CG-SD 4.12Å; M127-M214 HydrophobicContact SD-CE 4.28Å
128F83.8Confident80.8Confident35 Ų3550.1 Ų50.115%0.15424%0.244CC..Hα-helixtrans-67.5-33.3178.7-75.96.5000112.5T124 V126 A132 L138 K142 L145T124-F128 HydrophobicContact CG2-CD1 4.17Å; T124-F128 HydrophobicContact CG2-CD2 4.44Å; T124-F128 HydrophobicContact CG2-CE1 3.85Å; T124-F128 HydrophobicContact CG2-CE2 4.14Å; T124-F128 HydrophobicContact CG2-CG 4.46Å; T124-F128 HydrophobicContact CG2-CZ 3.83Å; T124-F128 WeakPolarHBondContact O-CB 3.34Å; T124-F128 WeakPolarHBondContact O-CD1 3.48Å; T124-F128 WeakPolarHBondContact O-CG 3.22Å; T124-F128 PolarHBondContact O-N 3.08Å; V126-F128 PolarHBondContact O-N 3.28Å; F128-A132 WeakPolarHBondContact O-CB 3.24Å; F128-A132 PolarHBondContact O-N 3.39Å; F128-L138 HydrophobicContact CD1-CD2 3.93Å; F128-L138 HydrophobicContact CE1-CD2 4.36Å; F128-L138 HydrophobicContact CG-CD2 4.33Å; F128-K142 HydrophobicContact CD2-CG 4.47Å; F128-L145 HydrophobicContact CD2-CD2 4.3Å; F128-L145 HydrophobicContact CE2-CD2 3.89Å
129K82.7Confident79.8Confident107 Ų10752.1 Ų52.147%0.46526%0.258SS..Hα-helixtrans-65.6-46.4170.2-79.1-175.9-179.3-167.90111.6Q125 V126 M127 K131 A132 Y220Q125-K129 WeakPolarHBondContact O-CB 3.17Å; Q125-K129 WeakPolarHBondContact O-CG 3.38Å; Q125-K129 PolarHBondContact O-N 3.33Å; V126-K129 PolarHBondContact O-N 2.95Å; M127-K129 PolarHBondContact O-N 2.7Å; K129-K131 VanDerWaalsContact C-N 3.27Å; K129-K131 PolarHBondContact O-N 3.38Å; K129-A132 PolarHBondContact O-N 3.4Å; K129-Y220 HydrophobicContact CD-CE2 3.76Å; K129-Y220 PolarHBondContact NZ-OH 2.94Å
130A79.9Confident79.2Confident8 Ų858.2 Ų58.27%0.06628%0.284CS..Hα-helixtrans-62.1-32.5179.300000113V126 M127 S216 A217V126-A130 WeakPolarHBondContact O-CB 3.43Å; V126-A130 PolarHBondContact O-N 2.88Å; M127-A130 PolarHBondContact O-N 2.74Å; A130-S216 PolarHBondContact O-OG 2.93Å; A130-A217 HydrophobicContact CB-CB 3.65Å
131K77.1Confident78.6Confident97 Ų9765 Ų6542%0.42231%0.31SS..Hα-helixtrans-84.1-30.1173.2-76.1-163.6168.2-162.90114.9M127 K129 K133 Y134 S135 L138 M214M127-K131 PolarHBondContact O-N 3.22Å; K129-K131 VanDerWaalsContact C-N 3.27Å; K129-K131 PolarHBondContact O-N 3.38Å; K131-K133 PolarHBondContact O-N 3.47Å; K131-Y134 PolarHBondContact O-N 2.86Å; K131-S135 PolarHBondContact O-N 3.21Å; K131-L138 HydrophobicContact CB-CD2 3.64Å; K131-L138 HydrophobicContact CD-CD2 3.94Å; K131-L138 HydrophobicContact CG-CD2 4.43Å; K131-M214 HydrophobicContact CG-SD 4.31Å
132A72.1Confident78.3Confident24 Ų2467 Ų6720%0.19832%0.319CS..Hα-helixtrans-60-22.6-175.600000113.8F128 K129 Y134 S135F128-A132 WeakPolarHBondContact O-CB 3.24Å; F128-A132 PolarHBondContact O-N 3.39Å; K129-A132 PolarHBondContact O-N 3.4Å; A132-Y134 PolarHBondContact O-N 2.91Å; A132-S135 PolarHBondContact O-N 3.3Å
133K66.8Low78.2Confident180 Ų18069.8 Ų69.878%0.78334%0.339SS*.THydrogen-bonded Turntrans-60.8-20.9171.3-165.9176.1-178.3-177.30113.6K131K131-K133 PolarHBondContact O-N 3.47Å
134Y63.5Low78.2Confident168 Ų16872.8 Ų72.866%0.65936%0.359SS*.THydrogen-bonded Turntrans-115.3-9.4-179.6-56.4-82.9000113.4K131 A132K131-Y134 PolarHBondContact O-N 2.86Å; A132-Y134 PolarHBondContact O-N 2.91Å
135S65.1Low78.3Confident56 Ų5673.8 Ų73.839%0.39236%0.364SS..  trans-155.795-176.1-55.80000110.3K131 A132 E137 L138K131-S135 PolarHBondContact O-N 3.21Å; A132-S135 PolarHBondContact O-N 3.3Å; S135-E137 PolarHBondContact O-N 2.91Å; S135-L138 PolarHBondContact O-N 3.34Å
136P68.4Low78.4Confident99 Ų9978.2 Ų78.264%0.64338%0.38SS*.G310 helixtrans-63.2-29.4-175.624.5-33.6000112.7L138 T139P136-L138 PolarHBondContact O-N 2.86Å; P136-L138 VanDerWaalsContact O-N 3.14Å; P136-T139 WeakPolarHBondContact O-CB 3.2Å; P136-T139 PolarHBondContact O-N 2.8Å; P136-T139 PolarHBondContact O-OG1 3.45Å
137E72.3Confident78.8Confident96 Ų9682.6 Ų82.645%0.44940%0.403SS..G310 helixtrans-50.8-33.5176.2-68.7-59119.100114.1S135 T139 K140 Y141S135-E137 PolarHBondContact O-N 2.91Å; E137-T139 PolarHBondContact O-N 3.36Å; E137-K140 WeakPolarHBondContact O-CB 3.45Å; E137-K140 PolarHBondContact O-N 3.01Å; E137-K140 WeakPolarHBondContact OE1-CE 3.44Å; E137-K140 IonicContact OE1-NZ 2.79Å; E137-K140 PolarHBondContact OE1-NZ 2.91Å; E137-K140 WeakPolarHBondContact OE2-CD 3.28Å; E137-K140 VanDerWaalsContact OE2-CE 3.29Å; E137-K140 WeakPolarHBondContact OE2-CE 3.47Å; E137-K140 IonicContact OE2-NZ 2.68Å; E137-K140 PolarHBondContact OE2-NZ 3.2Å; E137-Y141 WeakPolarHBondContact O-CD2 3.3Å
138L70.1Confident79.3Confident40 Ų4087 Ų8721%0.20942%0.422CS..G310 helixtrans-61.3-10.8175-10767.8000113.7F128 K131 S135 P136F128-L138 HydrophobicContact CD1-CD2 3.93Å; F128-L138 HydrophobicContact CE1-CD2 4.36Å; F128-L138 HydrophobicContact CG-CD2 4.33Å; K131-L138 HydrophobicContact CB-CD2 3.64Å; K131-L138 HydrophobicContact CD-CD2 3.94Å; K131-L138 HydrophobicContact CG-CD2 4.43Å; S135-L138 PolarHBondContact O-N 3.34Å; P136-L138 PolarHBondContact O-N 2.86Å; P136-L138 VanDerWaalsContact O-N 3.14Å
139T71.9Confident79.7Confident71 Ų7186 Ų8644%0.43642%0.417SS..G310 helixtrans-72.7-34.7171.1-62.10000112.9P136 E137 Y141 K142P136-T139 WeakPolarHBondContact O-CB 3.2Å; P136-T139 PolarHBondContact O-N 2.8Å; P136-T139 PolarHBondContact O-OG1 3.45Å; E137-T139 PolarHBondContact O-N 3.36Å; T139-Y141 VanDerWaalsContact C-N 3.29Å; T139-Y141 PolarHBondContact O-N 3.36Å; T139-K142 HydrophobicContact CG2-CD 4.14Å; T139-K142 WeakPolarHBondContact O-CB 3.37Å; T139-K142 WeakPolarHBondContact O-CG 3.34Å; T139-K142 PolarHBondContact O-N 2.95Å; T139-K142 PolarHBondContact OG1-NZ 3.32Å
140K79.1Confident80.3Confident135 Ų13585.4 Ų85.459%0.58742%0.418SS*.THydrogen-bonded Turntrans-62-39.9179.1-61.8177.3-173.8165.50111E137 K142 P144E137-K140 WeakPolarHBondContact O-CB 3.45Å; E137-K140 PolarHBondContact O-N 3.01Å; E137-K140 WeakPolarHBondContact OE1-CE 3.44Å; E137-K140 IonicContact OE1-NZ 2.79Å; E137-K140 PolarHBondContact OE1-NZ 2.91Å; E137-K140 WeakPolarHBondContact OE2-CD 3.28Å; E137-K140 VanDerWaalsContact OE2-CE 3.29Å; E137-K140 WeakPolarHBondContact OE2-CE 3.47Å; E137-K140 IonicContact OE2-NZ 2.68Å; E137-K140 PolarHBondContact OE2-NZ 3.2Å; K140-K142 PolarHBondContact O-N 3.12Å; K140-P144 WeakPolarHBondContact O-CD 3.42Å
141Y81.4Confident81Confident141 Ų14188.8 Ų88.855%0.55344%0.441SS*.THydrogen-bonded Turntrans-70.4-7.5179.9-62.6-84.6000115.4E137 T139 V143 P144 L145E137-Y141 WeakPolarHBondContact O-CD2 3.3Å; T139-Y141 VanDerWaalsContact C-N 3.29Å; T139-Y141 PolarHBondContact O-N 3.36Å; Y141-V143 VanDerWaalsContact C-N 3.34Å; Y141-V143 PolarHBondContact O-N 3.4Å; Y141-P144 WeakPolarHBondContact O-CD 3.27Å; Y141-L145 VanDerWaalsContact O-CB 3.29Å; Y141-L145 WeakPolarHBondContact O-CB 3.21Å; Y141-L145 PolarHBondContact O-N 3.04Å
142K84.6Confident81.8Confident52 Ų5285.9 Ų85.923%0.22643%0.43CS..Hα-helixtrans-67.1-31.7-179.7-68.6168.5-175.9155.90113.2F128 T139 K140 R146F128-K142 HydrophobicContact CD2-CG 4.47Å; T139-K142 HydrophobicContact CG2-CD 4.14Å; T139-K142 WeakPolarHBondContact O-CB 3.37Å; T139-K142 WeakPolarHBondContact O-CG 3.34Å; T139-K142 PolarHBondContact O-N 2.95Å; T139-K142 PolarHBondContact OG1-NZ 3.32Å; K140-K142 PolarHBondContact O-N 3.12Å; K142-R146 WeakPolarHBondContact O-CD 3.26Å; K142-R146 VanDerWaalsContact O-CG 3.27Å; K142-R146 WeakPolarHBondContact O-CG 3.49Å
143V87.5Confident82.9Confident93 Ų9385.5 Ų85.556%0.56443%0.425SS*.Hα-helixtrans-77.1-54.5177.9-179.60000112.1Y141 L145 R146 L147Y141-V143 VanDerWaalsContact C-N 3.34Å; Y141-V143 PolarHBondContact O-N 3.4Å; V143-L145 PolarHBondContact O-N 3.35Å; V143-R146 WeakPolarHBondContact O-CB 3.41Å; V143-R146 PolarHBondContact O-N 3.43Å; V143-L147 HydrophobicContact CG1-CD1 4.18Å; V143-L147 HydrophobicContact CG1-CG 4.49Å; V143-L147 PolarHBondContact O-N 2.66Å
144P90.3Very high84.2Confident67 Ų6781 Ų8144%0.43541%0.409SS..Hα-helixtrans-61.5-3117923.4-34.1000112.9K140 Y141 R146 L147 F148K140-P144 WeakPolarHBondContact O-CD 3.42Å; Y141-P144 WeakPolarHBondContact O-CD 3.27Å; P144-R146 PolarHBondContact O-N 2.92Å; P144-L147 PolarHBondContact O-N 3.05Å; P144-F148 WeakPolarHBondContact O-CB 3.44Å; P144-F148 PolarHBondContact O-N 2.85Å
145L90.6Very high85.7Confident31 Ų3178.1 Ų78.116%0.16240%0.4CS..Hα-helixtrans-62.1-40.7171.9-17475.6000112.7L121 T124 F128 Y141 V143 F148 F149L121-L145 HydrophobicContact CD1-CD2 3.86Å; L121-L145 HydrophobicContact CD1-CG 3.92Å; T124-L145 HydrophobicContact CG2-CD1 4.17Å; T124-L145 HydrophobicContact CG2-CD2 3.41Å; T124-L145 VanDerWaalsContact CG2-CD2 3.41Å; T124-L145 HydrophobicContact CG2-CG 4.43Å; F128-L145 HydrophobicContact CD2-CD2 4.3Å; F128-L145 HydrophobicContact CE2-CD2 3.89Å; Y141-L145 VanDerWaalsContact O-CB 3.29Å; Y141-L145 WeakPolarHBondContact O-CB 3.21Å; Y141-L145 PolarHBondContact O-N 3.04Å; V143-L145 PolarHBondContact O-N 3.35Å; L145-F148 PolarHBondContact O-N 3.35Å; L145-F149 HydrophobicContact CD1-CD2 4.27Å; L145-F149 HydrophobicContact CD1-CE2 3.84Å; L145-F149 HydrophobicContact CG-CD2 4.27Å; L145-F149 HydrophobicContact CG-CE2 4.23Å; L145-F149 WeakPolarHBondContact O-CD2 3.16Å; L145-F149 PolarHBondContact O-N 3.41Å
146R90.9Very high87Confident114 Ų11475.5 Ų75.543%0.4338%0.382SS..Hα-helixtrans-67-42.1176.1-71.7169.2176.4-151-1.9111.1Y64 L121 K142 V143 P144 L150Y64-R146 VanDerWaalsContact OH-CZ 3.26Å; Y64-R146 PolarHBondContact OH-NE 2.94Å; Y64-R146 PolarHBondContact OH-NH2 3.32Å; L121-R146 HydrophobicContact CD1-CG 3.84Å; L121-R146 HydrophobicContact CD2-CG 4.15Å; K142-R146 WeakPolarHBondContact O-CD 3.26Å; K142-R146 VanDerWaalsContact O-CG 3.27Å; K142-R146 WeakPolarHBondContact O-CG 3.49Å; V143-R146 WeakPolarHBondContact O-CB 3.41Å; V143-R146 PolarHBondContact O-N 3.43Å; P144-R146 PolarHBondContact O-N 2.92Å; R146-L150 VanDerWaalsContact O-CB 3.3Å; R146-L150 WeakPolarHBondContact O-CB 3.44Å; R146-L150 PolarHBondContact O-N 2.89Å
147L92.8Very high88.1Confident96 Ų9673.3 Ų73.350%0.50336%0.364SS..Hα-helixtrans-64-41.6175.7-65.8175.1000111.4V143 P144 L150 C151V143-L147 HydrophobicContact CG1-CD1 4.18Å; V143-L147 HydrophobicContact CG1-CG 4.49Å; V143-L147 PolarHBondContact O-N 2.66Å; P144-L147 PolarHBondContact O-N 3.05Å; L147-L150 PolarHBondContact O-N 3.48Å; L147-C151 WeakPolarHBondContact O-CB 3.41Å; L147-C151 PolarHBondContact O-N 3Å; L147-C151 PolarHBondContact O-SG 3.27Å
148F94Very high89.1Confident118 Ų11872.3 Ų72.352%0.51836%0.364SS..Hα-helixtrans-56.7-54.2176.2175.5-98.3000112.1P144 L145 L150 C151 L152P144-F148 WeakPolarHBondContact O-CB 3.44Å; P144-F148 PolarHBondContact O-N 2.85Å; L145-F148 PolarHBondContact O-N 3.35Å; F148-L150 VanDerWaalsContact C-N 3.29Å; F148-L150 PolarHBondContact O-N 2.97Å; F148-C151 PolarHBondContact O-N 3.42Å; F148-L152 HydrophobicContact CE1-CD2 4.31Å; F148-L152 WeakPolarHBondContact O-CB 3.4Å; F148-L152 PolarHBondContact O-N 3.13Å
149F93.7Very high90Very high12 Ų1271.7 Ų71.75%0.05336%0.362CS..Hα-helixtrans-67.2-28.3178.6-77.6-69.9000113.3C117 N120 L121 L145 L152 S153C117-F149 HydrophobicContact CB-CB 4.49Å; C117-F149 HydrophobicContact CB-CD1 3.95Å; N120-F149 HydrophobicContact CB-CD1 4.45Å; N120-F149 HydrophobicContact CB-CE1 3.63Å; N120-F149 HydrophobicContact CB-CE2 4.22Å; N120-F149 HydrophobicContact CB-CZ 3.5Å; L121-F149 HydrophobicContact CB-CD2 4.03Å; L121-F149 HydrophobicContact CB-CG 4.42Å; L121-F149 HydrophobicContact CD1-CD2 4.07Å; L145-F149 HydrophobicContact CD1-CD2 4.27Å; L145-F149 HydrophobicContact CD1-CE2 3.84Å; L145-F149 HydrophobicContact CG-CD2 4.27Å; L145-F149 HydrophobicContact CG-CE2 4.23Å; L145-F149 WeakPolarHBondContact O-CD2 3.16Å; L145-F149 PolarHBondContact O-N 3.41Å; F149-L152 HydrophobicContact CD1-CD2 4.37Å; F149-S153 WeakPolarHBondContact O-CB 3.48Å; F149-S153 PolarHBondContact O-N 3.34Å; F149-S153 PolarHBondContact O-OG 3.41Å
150L93.4Very high90.7Very high96 Ų9668.3 Ų68.350%0.50334%0.341SS..Hα-helixtrans-68.5-49.6172.5179.561.5000111.3R146 L147 F148 L152 S153 I154R146-L150 VanDerWaalsContact O-CB 3.3Å; R146-L150 WeakPolarHBondContact O-CB 3.44Å; R146-L150 PolarHBondContact O-N 2.89Å; L147-L150 PolarHBondContact O-N 3.48Å; F148-L150 VanDerWaalsContact C-N 3.29Å; F148-L150 PolarHBondContact O-N 2.97Å; L150-L152 VanDerWaalsContact C-N 3.32Å; L150-L152 PolarHBondContact O-N 2.96Å; L150-S153 WeakPolarHBondContact O-CB 3.17Å; L150-S153 PolarHBondContact O-N 2.87Å; L150-S153 VanDerWaalsContact O-N 3.17Å; L150-I154 HydrophobicContact CD1-CD1 4.06Å; L150-I154 HydrophobicContact CD1-CG1 4.4Å; L150-I154 HydrophobicContact CG-CD1 3.92Å; L150-I154 WeakPolarHBondContact O-CG1 3.18Å; L150-I154 PolarHBondContact O-N 3.18Å
151C95Very high91.1Very high79 Ų7964.7 Ų64.753%0.53433%0.328SS..Hα-helixtrans-61.1-40176-67.60000111.8L147 F148 S153 I154 F155L147-C151 WeakPolarHBondContact O-CB 3.41Å; L147-C151 PolarHBondContact O-N 3Å; L147-C151 PolarHBondContact O-SG 3.27Å; F148-C151 PolarHBondContact O-N 3.42Å; C151-S153 VanDerWaalsContact C-N 3.33Å; C151-S153 PolarHBondContact O-N 3.45Å; C151-I154 PolarHBondContact O-N 2.83Å; C151-F155 WeakPolarHBondContact O-CB 3.33Å; C151-F155 PolarHBondContact O-N 3.15Å
152L95.2Very high91.2Very high36 Ų3661.2 Ų61.219%0.18832%0.322CS..Hα-helixtrans-62.4-40.3175.1-162.670.1000111.7F113 F148 F149 L150 F156 L196F113-L152 HydrophobicContact CE1-CG 4.29Å; F113-L152 HydrophobicContact CZ-CD2 4.07Å; F113-L152 HydrophobicContact CZ-CG 4.05Å; F148-L152 HydrophobicContact CE1-CD2 4.31Å; F148-L152 WeakPolarHBondContact O-CB 3.4Å; F148-L152 PolarHBondContact O-N 3.13Å; F149-L152 HydrophobicContact CD1-CD2 4.37Å; L150-L152 VanDerWaalsContact C-N 3.32Å; L150-L152 PolarHBondContact O-N 2.96Å; L152-F156 WeakPolarHBondContact O-CB 3.44Å; L152-F156 PolarHBondContact O-N 3.02Å; L152-L196 HydrophobicContact CD1-CD2 3.7Å; L152-L196 HydrophobicContact CG-CD2 4.37Å
153S94.3Very high91Very high15 Ų1559.2 Ų59.211%0.10531%0.314CS..Hα-helixtrans-68-42.2175.5-58.90000112F114 F149 L150 C151 F156 L157F114-S153 VanDerWaalsContact CE1-O 3.31Å; F114-S153 WeakPolarHBondContact CE1-O 3.22Å; F149-S153 WeakPolarHBondContact O-CB 3.48Å; F149-S153 PolarHBondContact O-N 3.34Å; F149-S153 PolarHBondContact O-OG 3.41Å; L150-S153 WeakPolarHBondContact O-CB 3.17Å; L150-S153 PolarHBondContact O-N 2.87Å; L150-S153 VanDerWaalsContact O-N 3.17Å; C151-S153 VanDerWaalsContact C-N 3.33Å; C151-S153 PolarHBondContact O-N 3.45Å; S153-F156 PolarHBondContact O-N 3.13Å; S153-L157 WeakPolarHBondContact O-CB 3.48Å; S153-L157 PolarHBondContact O-N 3.41Å
154I94.8Very high90.4Very high87 Ų8755.1 Ų55.145%0.44629%0.29SS..Hα-helixtrans-64.4-43175.5-68.1165.8000110.5L150 C151 L157 V158L150-I154 HydrophobicContact CD1-CD1 4.06Å; L150-I154 HydrophobicContact CD1-CG1 4.4Å; L150-I154 HydrophobicContact CG-CD1 3.92Å; L150-I154 WeakPolarHBondContact O-CG1 3.18Å; L150-I154 PolarHBondContact O-N 3.18Å; C151-I154 PolarHBondContact O-N 2.83Å; I154-L157 WeakPolarHBondContact O-CB 3.26Å; I154-L157 PolarHBondContact O-N 3.49Å; I154-V158 HydrophobicContact CG2-CG2 4.35Å; I154-V158 WeakPolarHBondContact O-CG2 3.41Å; I154-V158 PolarHBondContact O-N 2.92Å
155F94.2Very high89.9Confident107 Ų10756.2 Ų56.247%0.46929%0.292SS..Hα-helixtrans-59.6-48.5175.8177-101.9000111.6C151 L157 V158 V159 I192 L196C151-F155 WeakPolarHBondContact O-CB 3.33Å; C151-F155 PolarHBondContact O-N 3.15Å; F155-L157 VanDerWaalsContact C-N 3.32Å; F155-L157 PolarHBondContact O-N 3.44Å; F155-V158 PolarHBondContact O-N 3.32Å; F155-V159 HydrophobicContact CD1-CG2 4.42Å; F155-V159 HydrophobicContact CD2-CG2 4.44Å; F155-V159 HydrophobicContact CE1-CG2 3.99Å; F155-V159 HydrophobicContact CE2-CG2 4.01Å; F155-V159 HydrophobicContact CZ-CG2 3.77Å; F155-V159 WeakPolarHBondContact O-CG2 3.35Å; F155-V159 PolarHBondContact O-N 2.9Å; F155-I192 HydrophobicContact CE1-CG2 3.89Å; F155-I192 HydrophobicContact CZ-CG2 4.38Å; F155-L196 HydrophobicContact CD1-CD1 3.94Å; F155-L196 HydrophobicContact CE1-CD1 4.01Å
156F93.1Very high89.2Confident0 Ų059.5 Ų59.50%031%0.309CS..Hα-helixtrans-56.5-46.8174.2-170.2-78.5000111.2V109 C110 F113 L152 S153 V158 V159 N160 N193 L196 F197V109-F156 HydrophobicContact CG1-CE1 4.41Å; V109-F156 HydrophobicContact CG1-CZ 4.08Å; C110-F156 HydrophobicContact CB-CD1 4.37Å; C110-F156 HydrophobicContact CB-CE1 4.34Å; F113-F156 HydrophobicContact CB-CD1 4.02Å; F113-F156 HydrophobicContact CB-CD2 4.15Å; F113-F156 HydrophobicContact CB-CE1 3.89Å; F113-F156 HydrophobicContact CB-CE2 4Å; F113-F156 HydrophobicContact CB-CG 4.18Å; F113-F156 HydrophobicContact CB-CZ 3.89Å; F113-F156 HydrophobicContact CD1-CB 3.52Å; F113-F156 AromaticContact CD1-CD1 3.94Å; F113-F156 HydrophobicContact CD1-CD1 3.94Å; F113-F156 AromaticContact CD1-CD2 3.51Å; F113-F156 HydrophobicContact CD1-CD2 3.51Å; F113-F156 HydrophobicContact CD1-CE2 4.2Å; F113-F156 AromaticContact CD1-CG 3.37Å; F113-F156 HydrophobicContact CD1-CG 3.37Å; F113-F156 AromaticContact CD2-CD2 3.77Å; F113-F156 HydrophobicContact CD2-CD2 3.77Å; F113-F156 AromaticContact CD2-CE2 3.8Å; F113-F156 HydrophobicContact CD2-CE2 3.8Å; F113-F156 HydrophobicContact CD2-CG 4.44Å; F113-F156 HydrophobicContact CE1-CB 3.57Å; F113-F156 AromaticContact CE1-CD2 3.76Å; F113-F156 HydrophobicContact CE1-CD2 3.76Å; F113-F156 AromaticContact CE1-CG 3.8Å; F113-F156 HydrophobicContact CE1-CG 3.8Å; F113-F156 HydrophobicContact CE2-CD2 4.02Å; F113-F156 HydrophobicContact CE2-CE2 4.35Å; F113-F156 HydrophobicContact CG-CB 4.37Å; F113-F156 HydrophobicContact CG-CD1 4.1Å; F113-F156 AromaticContact CG-CD2 3.51Å; F113-F156 HydrophobicContact CG-CD2 3.51Å; F113-F156 HydrophobicContact CG-CE1 4.3Å; F113-F156 AromaticContact CG-CE2 3.72Å; F113-F156 HydrophobicContact CG-CE2 3.72Å; F113-F156 AromaticContact CG-CG 3.73Å; F113-F156 HydrophobicContact CG-CG 3.73Å; F113-F156 HydrophobicContact CG-CZ 4.13Å; F113-F156 HydrophobicContact CZ-CB 4.47Å; F113-F156 HydrophobicContact CZ-CD2 4.01Å; L152-F156 WeakPolarHBondContact O-CB 3.44Å; L152-F156 PolarHBondContact O-N 3.02Å; S153-F156 PolarHBondContact O-N 3.13Å; F156-V158 PolarHBondContact O-N 3.31Å; F156-V159 PolarHBondContact O-N 2.93Å; F156-N160 VanDerWaalsContact CD1-ND2 3.3Å; F156-N160 WeakPolarHBondContact CD1-ND2 3.26Å; F156-N160 WeakPolarHBondContact CE1-ND2 3.3Å; F156-N160 WeakPolarHBondContact O-CB 3.34Å; F156-N160 PolarHBondContact O-N 3.32Å; F156-N160 VanDerWaalsContact O-N 3.12Å; F156-N160 PolarHBondContact O-ND2 2.87Å; F156-N193 HydrophobicContact CE2-CB 3.81Å; F156-N193 WeakPolarHBondContact CE2-OD1 3.49Å; F156-N193 HydrophobicContact CZ-CB 4.08Å; F156-L196 HydrophobicContact CB-CD1 4.48Å; F156-L196 HydrophobicContact CD2-CB 4.34Å; F156-L196 HydrophobicContact CD2-CD1 3.86Å; F156-F197 HydrophobicContact CE2-CD2 4.17Å; F156-F197 AromaticContact CE2-CE2 3.86Å; F156-F197 HydrophobicContact CE2-CE2 3.86Å; F156-F197 HydrophobicContact CZ-CD2 4.44Å; F156-F197 AromaticContact CZ-CE2 3.72Å; F156-F197 HydrophobicContact CZ-CE2 3.72Å; F156-F197 HydrophobicContact CZ-CZ 4.41Å
157L91.9Very high88.2Confident53 Ų5356.2 Ų56.228%0.27731%0.307SS..Hα-helixtrans-59.7-44.3178.3-172.866.8000112.3W102 C110 F114 S153 I154 F155 N160 L161W102-L157 HydrophobicContact CH2-CD1 4.04Å; W102-L157 HydrophobicContact CZ2-CD1 3.65Å; C110-L157 HydrophobicContact CB-CD1 4.09Å; F114-L157 HydrophobicContact CE1-CB 4.38Å; F114-L157 HydrophobicContact CZ-CB 4.05Å; F114-L157 HydrophobicContact CZ-CD1 4.01Å; F114-L157 HydrophobicContact CZ-CD2 4.27Å; F114-L157 HydrophobicContact CZ-CG 4.34Å; S153-L157 WeakPolarHBondContact O-CB 3.48Å; S153-L157 PolarHBondContact O-N 3.41Å; I154-L157 WeakPolarHBondContact O-CB 3.26Å; I154-L157 PolarHBondContact O-N 3.49Å; F155-L157 VanDerWaalsContact C-N 3.32Å; F155-L157 PolarHBondContact O-N 3.44Å; L157-N160 PolarHBondContact O-N 2.93Å; L157-L161 WeakPolarHBondContact O-CB 3.25Å; L157-L161 PolarHBondContact O-N 3.46Å
158V91.3Very high87Confident75 Ų7553.6 Ų53.646%0.45529%0.292SS..Hα-helixtrans-65.1-48.3179.4169.50000111.1I154 F155 F156 N160 L161 T162I154-V158 HydrophobicContact CG2-CG2 4.35Å; I154-V158 WeakPolarHBondContact O-CG2 3.41Å; I154-V158 PolarHBondContact O-N 2.92Å; F155-V158 PolarHBondContact O-N 3.32Å; F156-V158 PolarHBondContact O-N 3.31Å; V158-N160 PolarHBondContact O-N 3.47Å; V158-L161 PolarHBondContact O-N 3.33Å; V158-T162 WeakPolarHBondContact O-CB 3.31Å; V158-T162 PolarHBondContact O-N 3.4Å; V158-T162 PolarHBondContact O-OG1 2.88Å; V158-T162 VanDerWaalsContact O-OG1 3.1Å
159V89.4Confident85.6Confident27 Ų2749.6 Ų49.616%0.16428%0.283CS..Hα-helixtrans-56-42.2177170.80000111.4F155 F156 C163 R189 I192F155-V159 HydrophobicContact CD1-CG2 4.42Å; F155-V159 HydrophobicContact CD2-CG2 4.44Å; F155-V159 HydrophobicContact CE1-CG2 3.99Å; F155-V159 HydrophobicContact CE2-CG2 4.01Å; F155-V159 HydrophobicContact CZ-CG2 3.77Å; F155-V159 WeakPolarHBondContact O-CG2 3.35Å; F155-V159 PolarHBondContact O-N 2.9Å; F156-V159 PolarHBondContact O-N 2.93Å; V159-C163 WeakPolarHBondContact O-CB 3.44Å; V159-C163 PolarHBondContact O-N 3.24Å; V159-C163 VanDerWaalsContact O-N 3.11Å; V159-R189 HydrophobicContact CG1-CB 4.32Å; V159-R189 HydrophobicContact CG1-CG 4.38Å; V159-I192 HydrophobicContact CG1-CG2 4.3Å; V159-I192 HydrophobicContact CG2-CG2 4.42Å
160N87.8Confident84.1Confident0 Ų050.6 Ų50.60%029%0.294CS..Hα-helixtrans-73.2-33.8-179.8-80.7-80.1000113.6F156 L157 V158 A164 R189 N193F156-N160 VanDerWaalsContact CD1-ND2 3.3Å; F156-N160 WeakPolarHBondContact CD1-ND2 3.26Å; F156-N160 WeakPolarHBondContact CE1-ND2 3.3Å; F156-N160 WeakPolarHBondContact O-CB 3.34Å; F156-N160 PolarHBondContact O-N 3.32Å; F156-N160 VanDerWaalsContact O-N 3.12Å; F156-N160 PolarHBondContact O-ND2 2.87Å; L157-N160 PolarHBondContact O-N 2.93Å; V158-N160 PolarHBondContact O-N 3.47Å; N160-A164 PolarHBondContact O-N 2.9Å; N160-R189 PolarHBondContact OD1-NE 3.44Å; N160-R189 PolarHBondContact OD1-NH2 2.99Å; N160-N193 PolarHBondContact ND2-ND2 2.84Å; N160-N193 PolarHBondContact ND2-OD1 3.36Å; N160-N193 PolarHBondContact OD1-ND2 3.38Å
161L85.9Confident82.4Confident60 Ų6053.4 Ų53.431%0.31431%0.309SS..Hα-helixtrans-72.9-47.9173.6-179.261.9000111.7W102 L157 V158 C163 A164 L165W102-L161 HydrophobicContact CD2-CD1 4.14Å; W102-L161 HydrophobicContact CG-CD1 4.21Å; W102-L161 HydrophobicContact CZ2-CD1 4.44Å; L157-L161 WeakPolarHBondContact O-CB 3.25Å; L157-L161 PolarHBondContact O-N 3.46Å; V158-L161 PolarHBondContact O-N 3.33Å; L161-C163 VanDerWaalsContact C-N 3.33Å; L161-C163 PolarHBondContact O-N 3.31Å; L161-A164 PolarHBondContact O-N 2.88Å; L161-L165 HydrophobicContact CD1-CD1 4.25Å; L161-L165 HydrophobicContact CD1-CG 4.34Å; L161-L165 HydrophobicContact CG-CD1 4.04Å; L161-L165 WeakPolarHBondContact O-CG 3.29Å; L161-L165 PolarHBondContact O-N 3.21Å
162T84.3Confident80.6Confident68 Ų6857.5 Ų57.542%0.41732%0.322SS..Hα-helixtrans-58.4-42.8178.2-64.40000111.5V158 A164 L165 L166V158-T162 WeakPolarHBondContact O-CB 3.31Å; V158-T162 PolarHBondContact O-N 3.4Å; V158-T162 PolarHBondContact O-OG1 2.88Å; V158-T162 VanDerWaalsContact O-OG1 3.1Å; T162-A164 PolarHBondContact O-N 3.4Å; T162-L165 PolarHBondContact O-N 3.42Å; T162-L166 HydrophobicContact CG2-CD1 3.92Å; T162-L166 HydrophobicContact CG2-CG 4.35Å; T162-L166 WeakPolarHBondContact O-CB 3.33Å; T162-L166 VanDerWaalsContact O-CG 3.27Å; T162-L166 WeakPolarHBondContact O-CG 3.34Å; T162-L166 PolarHBondContact O-N 2.69Å
163C79.6Confident78.6Confident10 Ų1062.5 Ų62.57%0.06834%0.344CS..Hα-helixtrans-64-40.9177.1-174.20000112.9V159 L161 L166 A167 R189V159-C163 WeakPolarHBondContact O-CB 3.44Å; V159-C163 PolarHBondContact O-N 3.24Å; V159-C163 VanDerWaalsContact O-N 3.11Å; L161-C163 VanDerWaalsContact C-N 3.33Å; L161-C163 PolarHBondContact O-N 3.31Å; C163-L166 PolarHBondContact O-N 2.95Å; C163-A167 WeakPolarHBondContact O-CB 3.49Å; C163-A167 PolarHBondContact O-N 3.42Å; C163-R189 HydrophobicContact CB-CB 4.19Å; C163-R189 HydrophobicContact CB-CG 4.33Å; C163-R189 WeakPolarHBondContact SG-CD 3.42Å
164A76.9Confident76.3Confident7 Ų767.9 Ų67.96%0.05838%0.382CS..Hα-helixtrans-64.8-42.3176.100000111.9W102 N160 L161 T162 A167 Q168W102-A164 HydrophobicContact CB-CB 4.37Å; W102-A164 HydrophobicContact CG-CB 4.39Å; N160-A164 PolarHBondContact O-N 2.9Å; L161-A164 PolarHBondContact O-N 2.88Å; T162-A164 PolarHBondContact O-N 3.4Å; A164-A167 PolarHBondContact O-N 3.4Å; A164-Q168 WeakPolarHBondContact O-CB 3.41Å; A164-Q168 VanDerWaalsContact O-CD 3.32Å; A164-Q168 WeakPolarHBondContact O-CG 3.35Å; A164-Q168 PolarHBondContact O-N 3.24Å; A164-Q168 PolarHBondContact O-OE1 3.25Å
165L78.7Confident74.1Confident90 Ų9071.1 Ų71.147%0.47140%0.395SS..Hα-helixtrans-64.7-37.5175.6-67.6172.9000112.4L161 T162 Q168 G169L161-L165 HydrophobicContact CD1-CD1 4.25Å; L161-L165 HydrophobicContact CD1-CG 4.34Å; L161-L165 HydrophobicContact CG-CD1 4.04Å; L161-L165 WeakPolarHBondContact O-CG 3.29Å; L161-L165 PolarHBondContact O-N 3.21Å; T162-L165 PolarHBondContact O-N 3.42Å; L165-Q168 PolarHBondContact O-N 2.91Å; L165-G169 PolarHBondContact O-N 2.83Å
166L76.4Confident71.9Confident100 Ų10071.3 Ų71.352%0.52441%0.407SS..Hα-helixtrans-66.6-44.9174.7-74.1170.6000112.1T162 C163 Q168 G169 A170T162-L166 HydrophobicContact CG2-CD1 3.92Å; T162-L166 HydrophobicContact CG2-CG 4.35Å; T162-L166 WeakPolarHBondContact O-CB 3.33Å; T162-L166 VanDerWaalsContact O-CG 3.27Å; T162-L166 WeakPolarHBondContact O-CG 3.34Å; T162-L166 PolarHBondContact O-N 2.69Å; C163-L166 PolarHBondContact O-N 2.95Å; L166-Q168 VanDerWaalsContact C-N 3.25Å; L166-Q168 PolarHBondContact O-N 2.79Å; L166-G169 PolarHBondContact O-N 2.97Å; L166-A170 PolarHBondContact O-N 3.48Å; L166-A170 VanDerWaalsContact O-N 3.15Å
167A69.9Low69.9Low45 Ų4574.7 Ų74.737%0.37243%0.429SS..Hα-helixtrans-61.5-34.5176.100000112.3C163 A164C163-A167 WeakPolarHBondContact O-CB 3.49Å; C163-A167 PolarHBondContact O-N 3.42Å; A164-A167 PolarHBondContact O-N 3.4Å
168Q68.1Low67.9Low41 Ų4176.8 Ų76.819%0.19245%0.448CS..Hα-helixtrans-79.6-37.6177.8-70.1163.6-7.300112.6P98 A164 L165 L166 A170 L171 M172P98-Q168 PolarHBondContact O-NE2 3Å; A164-Q168 WeakPolarHBondContact O-CB 3.41Å; A164-Q168 VanDerWaalsContact O-CD 3.32Å; A164-Q168 WeakPolarHBondContact O-CG 3.35Å; A164-Q168 PolarHBondContact O-N 3.24Å; A164-Q168 PolarHBondContact O-OE1 3.25Å; L165-Q168 PolarHBondContact O-N 2.91Å; L166-Q168 VanDerWaalsContact C-N 3.25Å; L166-Q168 PolarHBondContact O-N 2.79Å; Q168-A170 VanDerWaalsContact C-N 3.31Å; Q168-A170 PolarHBondContact O-N 2.85Å; Q168-L171 WeakPolarHBondContact O-CB 3.4Å; Q168-L171 PolarHBondContact O-N 3.28Å; Q168-M172 PolarHBondContact O-N 3.39Å; Q168-M172 VanDerWaalsContact O-N 3.12Å
169G63.9Low66.3Low33 Ų3377.7 Ų77.734%0.3445%0.45SS..Hα-helixtrans-61.4-38.5175.500000112.7L165 L166 L171 M172 H173L165-G169 PolarHBondContact O-N 2.83Å; L166-G169 PolarHBondContact O-N 2.97Å; G169-L171 PolarHBondContact O-N 3.1Å; G169-M172 PolarHBondContact O-N 2.97Å; G169-H173 PolarHBondContact O-N 3.49Å; G169-H173 VanDerWaalsContact O-N 3.13Å
170A61.3Low65Low34 Ų3477.8 Ų77.828%0.28146%0.457SS..Hα-helixtrans-68.5-16.9173.200000114.7L166 Q168 I182L166-A170 PolarHBondContact O-N 3.48Å; L166-A170 VanDerWaalsContact O-N 3.15Å; Q168-A170 VanDerWaalsContact C-N 3.31Å; Q168-A170 PolarHBondContact O-N 2.85Å; A170-I182 HydrophobicContact CB-CD1 3.37Å; A170-I182 HydrophobicContact CB-CG1 4.18Å
171L57.2Low64Low155 Ų15579.7 Ų79.781%0.81248%0.477SS*.Hα-helixtrans-93.8-20.7177.5-149.9153000111.4Q168 G169Q168-L171 WeakPolarHBondContact O-CB 3.4Å; Q168-L171 PolarHBondContact O-N 3.28Å; G169-L171 PolarHBondContact O-N 3.1Å
172M57.3Low63.2Low164 Ų16479.3 Ų79.381%0.80847%0.474SS*.Hα-helixtrans-87.9-31.2176.2-108.4-79.6-177.600113.7Q168 G169Q168-M172 PolarHBondContact O-N 3.39Å; Q168-M172 VanDerWaalsContact O-N 3.12Å; G169-M172 PolarHBondContact O-N 2.97Å
173H53.8Low62.4Low141 Ų14182.7 Ų82.765%0.65348%0.48SS*.  trans-95.3111.7177.5-81.8-77.2000111.6G169 E175G169-H173 PolarHBondContact O-N 3.49Å; G169-H173 VanDerWaalsContact O-N 3.13Å; H173-E175 PolarHBondContact O-N 3.43Å
174S45.9Very low62.1Low129 Ų12987.8 Ų87.890%0.90250%0.502SS*.  trans-72.320178.4-46.20000115.5
175E49.4Very low62.1Low154 Ų15489.1 Ų89.172%0.7251%0.513SS*.SBendtrans-83.6132.6166-84.3-74.1112.400107.9H173 P177H173-E175 PolarHBondContact O-N 3.43Å; E175-P177 WeakPolarHBondContact O-CD 3.28Å
176P46.8Very low61.9Low112 Ų11285.7 Ų85.773%0.72750%0.496SS*.  trans-64.4111.2-178.726.4-33.2000109.7
177P51.4Low61.9Low70 Ų7083.4 Ų83.446%0.45548%0.484SS..  trans-66.9151.517929.7-34.6000109.3E175 D179 I182E175-P177 WeakPolarHBondContact O-CD 3.28Å; P177-D179 VanDerWaalsContact C-N 3.33Å; P177-D179 PolarHBondContact O-N 3.2Å; P177-I182 HydrophobicContact CB-CD1 3.57Å; P177-I182 HydrophobicContact CB-CG1 4.46Å; P177-I182 HydrophobicContact CG-CD1 3.6Å
178S50.9Low62.4Low98 Ų9883.3 Ų83.369%0.68548%0.483SS*.  trans-63.899.6162.347.20000108G180 G181S178-G180 PolarHBondContact O-N 3.15Å; S178-G181 WeakPolarHBondContact O-CA 3.3Å; S178-G181 PolarHBondContact O-N 2.88Å
179D56.7Low63.2Low93 Ų9381.9 Ų81.950%0.49748%0.476SS..Hα-helixtrans-49.7-38.4-171.1175.360.1000112.9P177 G181 I182 R183P177-D179 VanDerWaalsContact C-N 3.33Å; P177-D179 PolarHBondContact O-N 3.2Å; D179-G181 VanDerWaalsContact C-N 3.33Å; D179-G181 PolarHBondContact O-N 2.98Å; D179-I182 PolarHBondContact O-N 3.36Å; D179-R183 VanDerWaalsContact CG-CD 3.42Å; D179-R183 WeakPolarHBondContact O-CD 3.23Å; D179-R183 VanDerWaalsContact O-CG 3.29Å; D179-R183 WeakPolarHBondContact O-CG 3.44Å; D179-R183 PolarHBondContact O-N 3.04Å; D179-R183 VanDerWaalsContact OD1-CD 3.3Å; D179-R183 WeakPolarHBondContact OD1-CD 3.49Å; D179-R183 WeakPolarHBondContact OD2-CD 3.42Å; D179-R183 IonicContact OD2-CZ 3.6Å; D179-R183 IonicContact OD2-NE 3.75Å; D179-R183 IonicContact OD2-NH1 2.7Å; D179-R183 PolarHBondContact OD2-NH1 2.93Å
180G62.5Low64.1Low30 Ų3080.4 Ų80.431%0.30946%0.46SS..Hα-helixtrans-54-41.8171.500000113.9S178 I182 R183 H184S178-G180 PolarHBondContact O-N 3.15Å; G180-I182 PolarHBondContact O-N 2.89Å; G180-R183 PolarHBondContact O-N 3.41Å; G180-H184 VanDerWaalsContact C-CD2 3.45Å; G180-H184 VanDerWaalsContact O-CB 3.28Å; G180-H184 WeakPolarHBondContact O-CB 3.42Å; G180-H184 PolarHBondContact O-CD2 3.05Å; G180-H184 PolarHBondContact O-N 3.15Å
181G66.9Low65.3Low40 Ų4082.9 Ų82.941%0.41247%0.469SS..Hα-helixtrans-61.3-44.4-176.500000113.8S178 D179 A185S178-G181 WeakPolarHBondContact O-CA 3.3Å; S178-G181 PolarHBondContact O-N 2.88Å; D179-G181 VanDerWaalsContact C-N 3.33Å; D179-G181 PolarHBondContact O-N 2.98Å; G181-A185 WeakPolarHBondContact O-CB 3.35Å; G181-A185 PolarHBondContact O-N 3.42Å
182I68.6Low66.8Low51 Ų5178.5 Ų78.526%0.26245%0.445SS..Hα-helixtrans-69.4-45.2176.6-59.6162.6000109.7A170 P177 D179 G180 H184 A185 V186A170-I182 HydrophobicContact CB-CD1 3.37Å; A170-I182 HydrophobicContact CB-CG1 4.18Å; P177-I182 HydrophobicContact CB-CD1 3.57Å; P177-I182 HydrophobicContact CB-CG1 4.46Å; P177-I182 HydrophobicContact CG-CD1 3.6Å; D179-I182 PolarHBondContact O-N 3.36Å; G180-I182 PolarHBondContact O-N 2.89Å; I182-H184 VanDerWaalsContact C-N 3.33Å; I182-H184 PolarHBondContact O-N 3.29Å; I182-A185 WeakPolarHBondContact O-CB 3.49Å; I182-A185 PolarHBondContact O-N 3.05Å; I182-A185 VanDerWaalsContact O-N 3.07Å; I182-V186 HydrophobicContact CG2-CG2 4.48Å; I182-V186 WeakPolarHBondContact O-CG2 3.49Å; I182-V186 PolarHBondContact O-N 2.83Å
183R69.1Low68.4Low139 Ų13971.1 Ų71.153%0.52541%0.409SS..Hα-helixtrans-61.2-41.4179.1-67.4168.873.31703.1111.2D179 G180 V186 L187D179-R183 VanDerWaalsContact CG-CD 3.42Å; D179-R183 WeakPolarHBondContact O-CD 3.23Å; D179-R183 VanDerWaalsContact O-CG 3.29Å; D179-R183 WeakPolarHBondContact O-CG 3.44Å; D179-R183 PolarHBondContact O-N 3.04Å; D179-R183 VanDerWaalsContact OD1-CD 3.3Å; D179-R183 WeakPolarHBondContact OD1-CD 3.49Å; D179-R183 WeakPolarHBondContact OD2-CD 3.42Å; D179-R183 IonicContact OD2-CZ 3.6Å; D179-R183 IonicContact OD2-NE 3.75Å; D179-R183 IonicContact OD2-NH1 2.7Å; D179-R183 PolarHBondContact OD2-NH1 2.93Å; G180-R183 PolarHBondContact O-N 3.41Å; R183-V186 PolarHBondContact O-N 3.46Å; R183-L187 WeakPolarHBondContact O-CB 3.39Å; R183-L187 WeakPolarHBondContact O-CG 3.34Å; R183-L187 PolarHBondContact O-N 2.89Å
184H72.7Confident70.1Confident117 Ų11764.8 Ų64.854%0.54238%0.38SS..Hα-helixtrans-63.4-39.6171.8-67.2-43000112.4G180 I182 A188G180-H184 VanDerWaalsContact C-CD2 3.45Å; G180-H184 VanDerWaalsContact O-CB 3.28Å; G180-H184 WeakPolarHBondContact O-CB 3.42Å; G180-H184 PolarHBondContact O-CD2 3.05Å; G180-H184 PolarHBondContact O-N 3.15Å; I182-H184 VanDerWaalsContact C-N 3.33Å; I182-H184 PolarHBondContact O-N 3.29Å; H184-A188 WeakPolarHBondContact O-CB 3.48Å; H184-A188 PolarHBondContact O-N 3.5Å
185A75.6Confident72.2Confident35 Ų3560.9 Ų60.929%0.28935%0.352SS..Hα-helixtrans-65.3-40176.400000112.8G181 I182 R189G181-A185 WeakPolarHBondContact O-CB 3.35Å; G181-A185 PolarHBondContact O-N 3.42Å; I182-A185 WeakPolarHBondContact O-CB 3.49Å; I182-A185 PolarHBondContact O-N 3.05Å; I182-A185 VanDerWaalsContact O-N 3.07Å; A185-R189 PolarHBondContact O-N 2.97Å
186V75.2Confident74.3Confident19 Ų1954.4 Ų54.412%0.11532%0.323CS..Hα-helixtrans-70.1-44.6175.6-176.20000110.9I182 R183 A188 R189 V190 Y269I182-V186 HydrophobicContact CG2-CG2 4.48Å; I182-V186 WeakPolarHBondContact O-CG2 3.49Å; I182-V186 PolarHBondContact O-N 2.83Å; R183-V186 PolarHBondContact O-N 3.46Å; V186-A188 VanDerWaalsContact C-N 3.32Å; V186-A188 PolarHBondContact O-N 3.25Å; V186-R189 WeakPolarHBondContact O-CB 3.48Å; V186-R189 PolarHBondContact O-N 3.46Å; V186-V190 WeakPolarHBondContact O-CG2 3.31Å; V186-V190 PolarHBondContact O-N 3.41Å; V186-Y269 HydrophobicContact CG1-CE2 3.86Å
187L76.2Confident76.5Confident52 Ų5249.2 Ų49.227%0.27229%0.289SS..Hα-helixtrans-60.7-40175-71169.2000111.8R183 V190 L191 V253 Y269R183-L187 WeakPolarHBondContact O-CB 3.39Å; R183-L187 WeakPolarHBondContact O-CG 3.34Å; R183-L187 PolarHBondContact O-N 2.89Å; L187-V190 PolarHBondContact O-N 2.88Å; L187-L191 WeakPolarHBondContact O-CB 3.12Å; L187-L191 PolarHBondContact O-N 3.22Å; L187-V253 HydrophobicContact CD2-CG1 4.26Å; L187-V253 HydrophobicContact CD2-CG2 3.94Å; L187-Y269 HydrophobicContact CD2-CD2 4.23Å; L187-Y269 HydrophobicContact CD2-CE2 4.44Å
188A80.1Confident78.4Confident42 Ų4247.3 Ų47.335%0.34728%0.276SS..Hα-helixtrans-64.2-41174.200000112H184 V186 L191 I192H184-A188 WeakPolarHBondContact O-CB 3.48Å; H184-A188 PolarHBondContact O-N 3.5Å; V186-A188 VanDerWaalsContact C-N 3.32Å; V186-A188 PolarHBondContact O-N 3.25Å; A188-L191 PolarHBondContact O-N 3.5Å; A188-I192 WeakPolarHBondContact O-CB 3.45Å; A188-I192 WeakPolarHBondContact O-CD1 3.37Å; A188-I192 WeakPolarHBondContact O-CG1 3.46Å; A188-I192 PolarHBondContact O-N 3.23Å
189R85.4Confident80.4Confident12 Ų1248 Ų485%0.04527%0.272CS..Hα-helixtrans-58.4-48.4171.6163.2176.9167.9-129.50.5111.6C106 V159 N160 C163 A185 V186 I192 N193 D273C106-R189 PolarHBondContact SG-NH2 2.98Å; V159-R189 HydrophobicContact CG1-CB 4.32Å; V159-R189 HydrophobicContact CG1-CG 4.38Å; N160-R189 PolarHBondContact OD1-NE 3.44Å; N160-R189 PolarHBondContact OD1-NH2 2.99Å; C163-R189 HydrophobicContact CB-CB 4.19Å; C163-R189 HydrophobicContact CB-CG 4.33Å; C163-R189 WeakPolarHBondContact SG-CD 3.42Å; A185-R189 PolarHBondContact O-N 2.97Å; V186-R189 WeakPolarHBondContact O-CB 3.48Å; V186-R189 PolarHBondContact O-N 3.46Å; R189-I192 PolarHBondContact O-N 2.91Å; R189-N193 WeakPolarHBondContact O-CB 3.17Å; R189-N193 PolarHBondContact O-N 3.29Å; R189-D273 IonicContact CZ-OD1 3.59Å; R189-D273 IonicContact CZ-OD2 2.7Å; R189-D273 IonicContact NH1-OD1 2.85Å; R189-D273 IonicContact NH1-OD2 2.74Å; R189-D273 PolarHBondContact NH1-OD2 3.39Å; R189-D273 IonicContact NH2-OD1 3.61Å; R189-D273 PolarHBondContact NH2-OD1 3.4Å; R189-D273 IonicContact NH2-OD2 3.44Å; R189-D273 PolarHBondContact NH2-OD2 3.29Å
190V83.9Confident82.2Confident2 Ų243.9 Ų43.91%0.01225%0.25CC..Hα-helixtrans-60.1-51.4179.51740000109.8V186 L187 I192 N193 D194 N249 V253 Y269V186-V190 WeakPolarHBondContact O-CG2 3.31Å; V186-V190 PolarHBondContact O-N 3.41Å; L187-V190 PolarHBondContact O-N 2.88Å; V190-I192 PolarHBondContact O-N 3.38Å; V190-N193 PolarHBondContact O-N 3.05Å; V190-D194 WeakPolarHBondContact CG1-OD2 3.44Å; V190-D194 WeakPolarHBondContact O-CB 3.49Å; V190-D194 PolarHBondContact O-N 2.96Å; V190-N249 HydrophobicContact CG1-CB 4.12Å; V190-V253 HydrophobicContact CG1-CG2 3.88Å; V190-Y269 HydrophobicContact CG2-CD2 4.47Å
191L86.3Confident83.7Confident86 Ų8642.5 Ų42.545%0.4524%0.235SC..Hα-helixtrans-55.3-46.6177.2-177.666.2000112.8L187 A188 S195 L250L187-L191 WeakPolarHBondContact O-CB 3.12Å; L187-L191 PolarHBondContact O-N 3.22Å; A188-L191 PolarHBondContact O-N 3.5Å; L191-S195 WeakPolarHBondContact O-CB 3.41Å; L191-S195 PolarHBondContact O-N 2.9Å; L191-S195 PolarHBondContact O-OG 3.27Å; L191-L250 HydrophobicContact CD1-CD2 3.61Å
192I89.1Confident85Confident62 Ų6245.1 Ų45.132%0.31824%0.239SC..Hα-helixtrans-66.3-48.4178.6-69.9164.6000110.8F155 V159 A188 R189 V190 L196F155-I192 HydrophobicContact CE1-CG2 3.89Å; F155-I192 HydrophobicContact CZ-CG2 4.38Å; V159-I192 HydrophobicContact CG1-CG2 4.3Å; V159-I192 HydrophobicContact CG2-CG2 4.42Å; A188-I192 WeakPolarHBondContact O-CB 3.45Å; A188-I192 WeakPolarHBondContact O-CD1 3.37Å; A188-I192 WeakPolarHBondContact O-CG1 3.46Å; A188-I192 PolarHBondContact O-N 3.23Å; R189-I192 PolarHBondContact O-N 2.91Å; V190-I192 PolarHBondContact O-N 3.38Å; I192-L196 HydrophobicContact CG2-CD1 3.95Å; I192-L196 WeakPolarHBondContact O-CB 3.41Å; I192-L196 VanDerWaalsContact O-CG 3.25Å; I192-L196 WeakPolarHBondContact O-CG 3.3Å; I192-L196 PolarHBondContact O-N 3.42Å
193N90.3Very high86.2Confident10 Ų1044.9 Ų44.95%0.05324%0.242CC..Hα-helixtrans-59-51.2-179.3-78.7-8000111.7F156 N160 R189 V190 L196 F197F156-N193 HydrophobicContact CE2-CB 3.81Å; F156-N193 WeakPolarHBondContact CE2-OD1 3.49Å; F156-N193 HydrophobicContact CZ-CB 4.08Å; N160-N193 PolarHBondContact ND2-ND2 2.84Å; N160-N193 PolarHBondContact ND2-OD1 3.36Å; N160-N193 PolarHBondContact OD1-ND2 3.38Å; R189-N193 WeakPolarHBondContact O-CB 3.17Å; R189-N193 PolarHBondContact O-N 3.29Å; V190-N193 PolarHBondContact O-N 3.05Å; N193-L196 WeakPolarHBondContact O-CB 3.3Å; N193-L196 PolarHBondContact O-N 2.98Å; N193-F197 WeakPolarHBondContact O-CD2 3.42Å; N193-F197 PolarHBondContact O-N 3.01Å
194D89.6Confident87.3Confident7 Ų738.3 Ų38.34%0.03722%0.217CC..Hα-helixtrans-74.3-32.7-174.6-71-46.8000111.7V190 L196 F197 V198 A246 N249 L250V190-D194 WeakPolarHBondContact CG1-OD2 3.44Å; V190-D194 WeakPolarHBondContact O-CB 3.49Å; V190-D194 PolarHBondContact O-N 2.96Å; D194-L196 VanDerWaalsContact C-N 3.33Å; D194-L196 PolarHBondContact O-N 2.79Å; D194-F197 PolarHBondContact O-N 2.77Å; D194-V198 WeakPolarHBondContact O-CG2 3.39Å; D194-V198 PolarHBondContact O-N 3.12Å; D194-A246 HydrophobicContact CB-CB 3.82Å; D194-N249 PolarHBondContact OD1-ND2 3.33Å; D194-N249 WeakPolarHBondContact OD2-CB 3.35Å; D194-N249 PolarHBondContact OD2-ND2 3.18Å; D194-L250 HydrophobicContact CB-CD1 4.41Å; D194-L250 HydrophobicContact CB-CD2 4.31Å; D194-L250 HydrophobicContact CB-CG 4.07Å
195S90.4Very high88.3Confident47 Ų4734.6 Ų34.633%0.32921%0.207SC..Hα-helixtrans-60.3-42167-620000111.9L191 V198 L199L191-S195 WeakPolarHBondContact O-CB 3.41Å; L191-S195 PolarHBondContact O-N 2.9Å; L191-S195 PolarHBondContact O-OG 3.27Å; S195-V198 PolarHBondContact O-N 3.11Å; S195-L199 WeakPolarHBondContact O-CB 3.15Å; S195-L199 VanDerWaalsContact O-CG 3.26Å; S195-L199 WeakPolarHBondContact O-CG 3.43Å; S195-L199 PolarHBondContact O-N 3.43Å
196L92.6Very high89.1Confident19 Ų1936.6 Ų36.610%0.09922%0.215CC..Hα-helixtrans-65.8-40.5175.5-74.2171.7000112F113 L152 F155 F156 I192 N193 D194 C200F113-L196 HydrophobicContact CE2-CB 3.81Å; F113-L196 HydrophobicContact CZ-CB 3.97Å; L152-L196 HydrophobicContact CD1-CD2 3.7Å; L152-L196 HydrophobicContact CG-CD2 4.37Å; F155-L196 HydrophobicContact CD1-CD1 3.94Å; F155-L196 HydrophobicContact CE1-CD1 4.01Å; F156-L196 HydrophobicContact CB-CD1 4.48Å; F156-L196 HydrophobicContact CD2-CB 4.34Å; F156-L196 HydrophobicContact CD2-CD1 3.86Å; I192-L196 HydrophobicContact CG2-CD1 3.95Å; I192-L196 WeakPolarHBondContact O-CB 3.41Å; I192-L196 VanDerWaalsContact O-CG 3.25Å; I192-L196 WeakPolarHBondContact O-CG 3.3Å; I192-L196 PolarHBondContact O-N 3.42Å; N193-L196 WeakPolarHBondContact O-CB 3.3Å; N193-L196 PolarHBondContact O-N 2.98Å; D194-L196 VanDerWaalsContact C-N 3.33Å; D194-L196 PolarHBondContact O-N 2.79Å; L196-C200 WeakPolarHBondContact O-CB 3.25Å; L196-C200 PolarHBondContact O-N 3.5Å
197F92Very high89.8Confident2 Ų236.1 Ų36.11%0.00921%0.213CC..Hα-helixtrans-59.8-47.6172.5-88.9-74.4000111.6V109 Q112 F113 L116 F156 N193 D194 C200 A201 Y242 A246V109-F197 HydrophobicContact CG1-CE2 4.06Å; V109-F197 HydrophobicContact CG1-CZ 4.34Å; Q112-F197 HydrophobicContact CB-CZ 4.41Å; F113-F197 HydrophobicContact CB-CE1 4.16Å; F113-F197 HydrophobicContact CB-CE2 4.27Å; F113-F197 HydrophobicContact CB-CZ 3.73Å; F113-F197 HydrophobicContact CD2-CD1 4.14Å; F113-F197 HydrophobicContact CD2-CD2 4.32Å; F113-F197 HydrophobicContact CD2-CE1 4.06Å; F113-F197 HydrophobicContact CD2-CE2 4.25Å; F113-F197 HydrophobicContact CD2-CG 4.26Å; F113-F197 HydrophobicContact CD2-CZ 4.11Å; F113-F197 HydrophobicContact CG-CZ 4.43Å; L116-F197 HydrophobicContact CD2-CD1 3.66Å; L116-F197 HydrophobicContact CD2-CE1 4.21Å; F156-F197 HydrophobicContact CE2-CD2 4.17Å; F156-F197 AromaticContact CE2-CE2 3.86Å; F156-F197 HydrophobicContact CE2-CE2 3.86Å; F156-F197 HydrophobicContact CZ-CD2 4.44Å; F156-F197 AromaticContact CZ-CE2 3.72Å; F156-F197 HydrophobicContact CZ-CE2 3.72Å; F156-F197 HydrophobicContact CZ-CZ 4.41Å; N193-F197 WeakPolarHBondContact O-CD2 3.42Å; N193-F197 PolarHBondContact O-N 3.01Å; D194-F197 PolarHBondContact O-N 2.77Å; F197-C200 PolarHBondContact O-N 3.38Å; F197-A201 VanDerWaalsContact O-CB 3.27Å; F197-A201 WeakPolarHBondContact O-CB 3.27Å; F197-A201 PolarHBondContact O-N 2.85Å; F197-Y242 AromaticContact CD1-CD1 3.91Å; F197-Y242 HydrophobicContact CD1-CD1 3.91Å; F197-Y242 HydrophobicContact CD1-CE1 4.49Å; F197-Y242 HydrophobicContact CD1-CG 4.25Å; F197-Y242 AromaticContact CE1-CD1 3.73Å; F197-Y242 HydrophobicContact CE1-CD1 3.73Å; F197-Y242 AromaticContact CE1-CE1 3.88Å; F197-Y242 HydrophobicContact CE1-CE1 3.88Å; F197-Y242 HydrophobicContact CE1-CG 4.41Å; F197-A246 HydrophobicContact CB-CB 4.3Å
198V92.6Very high90.5Very high31 Ų3134.2 Ų34.219%0.18820%0.202CC..Hα-helixtrans-62.3-48178.4170.50000111.7D194 S195 C200 A201 I202 A246 L250D194-V198 WeakPolarHBondContact O-CG2 3.39Å; D194-V198 PolarHBondContact O-N 3.12Å; S195-V198 PolarHBondContact O-N 3.11Å; V198-C200 VanDerWaalsContact C-N 3.32Å; V198-C200 PolarHBondContact O-N 2.97Å; V198-A201 PolarHBondContact O-N 3.37Å; V198-I202 HydrophobicContact CG1-CD1 3.68Å; V198-I202 HydrophobicContact CG1-CG1 4.36Å; V198-I202 VanDerWaalsContact O-CG1 3.3Å; V198-I202 WeakPolarHBondContact O-CG1 3.39Å; V198-I202 PolarHBondContact O-N 3.2Å; V198-A246 HydrophobicContact CG2-CB 3.62Å; V198-L250 HydrophobicContact CG2-CD1 4.49Å
199L93.5Very high90.9Very high113 Ų11338.1 Ų38.159%0.59221%0.212SC*.Hα-helixtrans-61-40.8177.7-71.6169.6000111.9S195 S203S195-L199 WeakPolarHBondContact O-CB 3.15Å; S195-L199 VanDerWaalsContact O-CG 3.26Å; S195-L199 WeakPolarHBondContact O-CG 3.43Å; S195-L199 PolarHBondContact O-N 3.43Å; L199-S203 WeakPolarHBondContact O-CB 3.41Å; L199-S203 PolarHBondContact O-N 2.96Å
200C94.1Very high91Very high5 Ų542.4 Ų42.43%0.03423%0.231CC..Hα-helixtrans-70.2-34.3177.7-155.40000111.8F113 L116 N120 L196 F197 V198 L204F113-C200 HydrophobicContact CE2-CB 4.24Å; L116-C200 HydrophobicContact CD2-CB 3.89Å; L116-C200 HydrophobicContact CG-CB 4.18Å; N120-C200 PolarHBondContact ND2-O 3.46Å; N120-C200 PolarHBondContact ND2-SG 3.15Å; N120-C200 PolarHBondContact OD1-O 2.8Å; L196-C200 WeakPolarHBondContact O-CB 3.25Å; L196-C200 PolarHBondContact O-N 3.5Å; F197-C200 PolarHBondContact O-N 3.38Å; V198-C200 VanDerWaalsContact C-N 3.32Å; V198-C200 PolarHBondContact O-N 2.97Å; C200-L204 WeakPolarHBondContact O-CB 3.18Å; C200-L204 PolarHBondContact O-N 3.35Å
201A93.4Very high91.1Very high1 Ų142.5 Ų42.51%0.00823%0.231CC..Hα-helixtrans-71.5-39.8174.400000112.9F197 V198 L204 A205 I239F197-A201 VanDerWaalsContact O-CB 3.27Å; F197-A201 WeakPolarHBondContact O-CB 3.27Å; F197-A201 PolarHBondContact O-N 2.85Å; V198-A201 PolarHBondContact O-N 3.37Å; A201-L204 WeakPolarHBondContact O-CB 3.33Å; A201-L204 PolarHBondContact O-N 2.87Å; A201-A205 WeakPolarHBondContact O-CB 3.39Å; A201-A205 PolarHBondContact O-N 3.07Å; A201-I239 HydrophobicContact CB-CG2 4.34Å
202I93.7Very high91.1Very high95 Ų9540.2 Ų40.249%0.48723%0.225SC..Hα-helixtrans-62.8-45.3173.1-69.2166.4000110.4V198 L204 A205 V206V198-I202 HydrophobicContact CG1-CD1 3.68Å; V198-I202 HydrophobicContact CG1-CG1 4.36Å; V198-I202 VanDerWaalsContact O-CG1 3.3Å; V198-I202 WeakPolarHBondContact O-CG1 3.39Å; V198-I202 PolarHBondContact O-N 3.2Å; I202-L204 VanDerWaalsContact C-N 3.29Å; I202-L204 PolarHBondContact O-N 3.37Å; I202-A205 WeakPolarHBondContact O-CB 3.48Å; I202-A205 PolarHBondContact O-N 3.41Å; I202-V206 WeakPolarHBondContact O-CG2 3.44Å; I202-V206 PolarHBondContact O-N 3.49Å
203S93.9Very high90.9Very high47 Ų4745 Ų4533%0.32924%0.243SC..Hα-helixtrans-58.2-42175.1-166.80000111.7N120 L199 V206 C207N120-S203 VanDerWaalsContact OD1-C 3.31Å; N120-S203 WeakPolarHBondContact OD1-CB 3.27Å; N120-S203 PolarHBondContact OD1-OG 2.89Å; L199-S203 WeakPolarHBondContact O-CB 3.41Å; L199-S203 PolarHBondContact O-N 2.96Å; S203-V206 PolarHBondContact O-N 2.84Å; S203-C207 WeakPolarHBondContact O-CB 3.27Å; S203-C207 PolarHBondContact O-N 2.93Å; S203-C207 PolarHBondContact O-SG 3.36Å
204L92.9Very high90.5Very high0 Ų046.3 Ų46.30%025%0.249CC..Hα-helixtrans-64.8-43.2176.9-175.756.5000111.9L116 L119 N120 F123 C200 A201 I202 V206 C207 I208 I239L116-L204 HydrophobicContact CD1-CD2 3.65Å; L119-L204 HydrophobicContact CD2-CD2 3.7Å; L119-L204 HydrophobicContact CG-CD1 4.14Å; L119-L204 HydrophobicContact CG-CD2 4.08Å; N120-L204 VanDerWaalsContact OD1-CA 3.31Å; N120-L204 WeakPolarHBondContact OD1-CA 3.44Å; N120-L204 PolarHBondContact OD1-N 2.9Å; F123-L204 HydrophobicContact CD2-CD1 3.55Å; F123-L204 HydrophobicContact CE2-CD1 4.16Å; F123-L204 HydrophobicContact CG-CD1 4.43Å; C200-L204 WeakPolarHBondContact O-CB 3.18Å; C200-L204 PolarHBondContact O-N 3.35Å; A201-L204 WeakPolarHBondContact O-CB 3.33Å; A201-L204 PolarHBondContact O-N 2.87Å; I202-L204 VanDerWaalsContact C-N 3.29Å; I202-L204 PolarHBondContact O-N 3.37Å; L204-V206 PolarHBondContact O-N 3.48Å; L204-C207 PolarHBondContact O-N 2.88Å; L204-I208 HydrophobicContact CD1-CD1 3.88Å; L204-I208 HydrophobicContact CD1-CG1 4.19Å; L204-I208 HydrophobicContact CG-CD1 3.82Å; L204-I208 WeakPolarHBondContact O-CG1 3.5Å; L204-I208 PolarHBondContact O-N 3.43Å; L204-I239 HydrophobicContact CB-CD1 4.26Å; L204-I239 HydrophobicContact CB-CG1 4.18Å; L204-I239 HydrophobicContact CD2-CD1 4.31Å; L204-I239 HydrophobicContact CD2-CG1 3.83Å; L204-I239 HydrophobicContact CG-CD1 3.97Å; L204-I239 HydrophobicContact CG-CG1 3.99Å
205A93.5Very high89.9Confident39 Ų3950.3 Ų50.332%0.32228%0.278SS..Hα-helixtrans-60.1-46.1177.100000111.4A201 I202 C207 I208 F209 I239A201-A205 WeakPolarHBondContact O-CB 3.39Å; A201-A205 PolarHBondContact O-N 3.07Å; I202-A205 WeakPolarHBondContact O-CB 3.48Å; I202-A205 PolarHBondContact O-N 3.41Å; A205-C207 PolarHBondContact O-N 3.26Å; A205-I208 PolarHBondContact O-N 2.83Å; A205-F209 VanDerWaalsContact O-CB 3.3Å; A205-F209 WeakPolarHBondContact O-CB 3.43Å; A205-F209 PolarHBondContact O-N 3.34Å; A205-I239 HydrophobicContact CB-CD1 3.77Å
206V92Very high89.2Confident77 Ų7750.4 Ų50.447%0.46728%0.279SS..Hα-helixtrans-61.8-43.9175173.90000110.8I202 S203 L204 F209 K210I202-V206 WeakPolarHBondContact O-CG2 3.44Å; I202-V206 PolarHBondContact O-N 3.49Å; S203-V206 PolarHBondContact O-N 2.84Å; L204-V206 PolarHBondContact O-N 3.48Å; V206-F209 PolarHBondContact O-N 3.41Å; V206-K210 HydrophobicContact CG1-CG 4.3Å; V206-K210 WeakPolarHBondContact O-CB 3.33Å; V206-K210 WeakPolarHBondContact O-CG 3.44Å; V206-K210 PolarHBondContact O-N 3.45Å
207C90.2Very high88.3Confident10 Ų1049.5 Ų49.57%0.06827%0.274CS..Hα-helixtrans-62-47.4178.2-70.30000112.4F123 T124 S203 L204 A205 K210 I211F123-C207 HydrophobicContact CB-CB 4.38Å; T124-C207 PolarHBondContact OG1-SG 3.2Å; T124-C207 VanDerWaalsContact OG1-SG 3.36Å; S203-C207 WeakPolarHBondContact O-CB 3.27Å; S203-C207 PolarHBondContact O-N 2.93Å; S203-C207 PolarHBondContact O-SG 3.36Å; L204-C207 PolarHBondContact O-N 2.88Å; A205-C207 PolarHBondContact O-N 3.26Å; C207-K210 PolarHBondContact O-N 3.35Å; C207-I211 WeakPolarHBondContact O-CB 3.44Å; C207-I211 WeakPolarHBondContact O-CD1 3.35Å; C207-I211 VanDerWaalsContact O-CG1 3.24Å; C207-I211 WeakPolarHBondContact O-CG1 3.41Å; C207-I211 PolarHBondContact O-N 3.32Å
208I90.4Very high87.7Confident11 Ų1151.2 Ų51.26%0.05628%0.283CS..Hα-helixtrans-63.1-45.4178.3-69.9167.2000110.8F123 L204 A205 K210 I211 A212 T232 I239F123-I208 HydrophobicContact CD2-CG1 4.32Å; F123-I208 HydrophobicContact CE2-CD1 4.37Å; F123-I208 HydrophobicContact CE2-CG1 4.37Å; F123-I208 HydrophobicContact CG-CG1 4.46Å; L204-I208 HydrophobicContact CD1-CD1 3.88Å; L204-I208 HydrophobicContact CD1-CG1 4.19Å; L204-I208 HydrophobicContact CG-CD1 3.82Å; L204-I208 WeakPolarHBondContact O-CG1 3.5Å; L204-I208 PolarHBondContact O-N 3.43Å; A205-I208 PolarHBondContact O-N 2.83Å; I208-K210 VanDerWaalsContact C-N 3.35Å; I208-K210 PolarHBondContact O-N 2.95Å; I208-I211 PolarHBondContact O-N 2.83Å; I208-I211 VanDerWaalsContact O-N 3.15Å; I208-A212 PolarHBondContact O-N 3.48Å; I208-T232 HydrophobicContact CG2-CG2 3.8Å; I208-I239 HydrophobicContact CD1-CD1 3.92Å
209F88.9Confident86.9Confident125 Ų12553.9 Ų53.955%0.54830%0.299SS..Hα-helixtrans-61-41.5177.2178.3-101.5000112.4A205 V206 K213A205-F209 VanDerWaalsContact O-CB 3.3Å; A205-F209 WeakPolarHBondContact O-CB 3.43Å; A205-F209 PolarHBondContact O-N 3.34Å; V206-F209 PolarHBondContact O-N 3.41Å; F209-K213 HydrophobicContact CE1-CD 4.03Å; F209-K213 HydrophobicContact CE2-CD 4.17Å; F209-K213 HydrophobicContact CZ-CD 3.76Å; F209-K213 PolarHBondContact O-N 3Å
210K88.5Confident86Confident102 Ų10251.5 Ų51.544%0.44328%0.283SS..Hα-helixtrans-65.8-38174.8-67.3-69.5-178.6-175.80111.6M127 V206 C207 I208 M214M127-K210 HydrophobicContact SD-CB 3.75Å; M127-K210 HydrophobicContact SD-CG 4.4Å; V206-K210 HydrophobicContact CG1-CG 4.3Å; V206-K210 WeakPolarHBondContact O-CB 3.33Å; V206-K210 WeakPolarHBondContact O-CG 3.44Å; V206-K210 PolarHBondContact O-N 3.45Å; C207-K210 PolarHBondContact O-N 3.35Å; I208-K210 VanDerWaalsContact C-N 3.35Å; I208-K210 PolarHBondContact O-N 2.95Å; K210-M214 HydrophobicContact CB-CE 4Å; K210-M214 WeakPolarHBondContact O-CE 3.24Å; K210-M214 VanDerWaalsContact O-CG 3.25Å; K210-M214 WeakPolarHBondContact O-CG 3.12Å
211I86.1Confident85.1Confident4 Ų451.3 Ų51.32%0.02128%0.282CS..Hα-helixtrans-65.9-50.4177.2-73.8166.2000111.4F123 V126 M127 C207 I208 K213 M214 A217 N218 L221F123-I211 HydrophobicContact CB-CD1 3.72Å; F123-I211 HydrophobicContact CD1-CD1 3.7Å; F123-I211 HydrophobicContact CG-CD1 4.14Å; F123-I211 WeakPolarHBondContact O-CD1 3.3Å; V126-I211 HydrophobicContact CB-CD1 4.43Å; V126-I211 HydrophobicContact CG1-CD1 4.5Å; M127-I211 HydrophobicContact CB-CD1 4.39Å; M127-I211 HydrophobicContact CB-CG1 4Å; C207-I211 WeakPolarHBondContact O-CB 3.44Å; C207-I211 WeakPolarHBondContact O-CD1 3.35Å; C207-I211 VanDerWaalsContact O-CG1 3.24Å; C207-I211 WeakPolarHBondContact O-CG1 3.41Å; C207-I211 PolarHBondContact O-N 3.32Å; I208-I211 PolarHBondContact O-N 2.83Å; I208-I211 VanDerWaalsContact O-N 3.15Å; I211-K213 PolarHBondContact O-N 3.42Å; I211-K213 VanDerWaalsContact O-N 3.13Å; I211-M214 PolarHBondContact O-N 3.07Å; I211-A217 HydrophobicContact CG2-CB 4.02Å; I211-N218 PolarHBondContact O-OD1 3.31Å; I211-N218 VanDerWaalsContact O-OD1 3.13Å; I211-L221 HydrophobicContact CG2-CD1 3.82Å
212A85.4Confident84.3Confident38 Ų3857.9 Ų57.931%0.31431%0.312SS..Hα-helixtrans-57.1-32.8-178.100000112.9I208 N218 V228I208-A212 PolarHBondContact O-N 3.48Å; A212-N218 PolarHBondContact O-ND2 2.9Å; A212-V228 HydrophobicContact CB-CG1 4.34Å
213K85.4Confident83.2Confident161 Ų16157.5 Ų57.570%0.732%0.318SS*.THydrogen-bonded Turntrans-82.2-1.9175.2-63.1-166.170162.50114.9F209 I211F209-K213 HydrophobicContact CE1-CD 4.03Å; F209-K213 HydrophobicContact CE2-CD 4.17Å; F209-K213 HydrophobicContact CZ-CD 3.76Å; F209-K213 PolarHBondContact O-N 3Å; I211-K213 PolarHBondContact O-N 3.42Å; I211-K213 VanDerWaalsContact O-N 3.13Å
214M82.1Confident82Confident38 Ų3861.6 Ų61.619%0.18733%0.33CS..  trans-110.1100.5-179-73.6177.3-154.500111.6M127 K131 K210 I211 S216 A217 N218M127-M214 HydrophobicContact CG-CE 4.35Å; M127-M214 HydrophobicContact CG-SD 4.12Å; M127-M214 HydrophobicContact SD-CE 4.28Å; K131-M214 HydrophobicContact CG-SD 4.31Å; K210-M214 HydrophobicContact CB-CE 4Å; K210-M214 WeakPolarHBondContact O-CE 3.24Å; K210-M214 VanDerWaalsContact O-CG 3.25Å; K210-M214 WeakPolarHBondContact O-CG 3.12Å; I211-M214 PolarHBondContact O-N 3.07Å; M214-S216 PolarHBondContact O-N 3.12Å; M214-S216 VanDerWaalsContact O-N 3.1Å; M214-A217 HydrophobicContact CB-CB 3.92Å; M214-A217 WeakPolarHBondContact O-CA 3.35Å; M214-A217 WeakPolarHBondContact O-CB 3.4Å; M214-A217 PolarHBondContact O-N 3.25Å; M214-N218 PolarHBondContact O-N 3.41Å; M214-N218 PolarHBondContact O-OD1 3.4Å
215S76.9Confident80.9Confident92 Ų9263.4 Ų63.464%0.64335%0.349SS*.Hα-helixtrans-50.4-37.2177.1-177.50000113.8A217 N218 V219S215-A217 VanDerWaalsContact C-N 3.35Å; S215-A217 PolarHBondContact O-N 3Å; S215-N218 WeakPolarHBondContact O-CB 3.45Å; S215-N218 PolarHBondContact O-N 3.32Å; S215-V219 PolarHBondContact O-N 2.76Å; S215-V219 VanDerWaalsContact O-N 3.15Å
216S74.7Confident80.1Confident48 Ų4862.1 Ų62.134%0.33634%0.337SS..Hα-helixtrans-69.9-25.4175.857.80000114.6A130 M214A130-S216 PolarHBondContact O-OG 2.93Å; M214-S216 PolarHBondContact O-N 3.12Å; M214-S216 VanDerWaalsContact O-N 3.1Å
217A74.8Confident79.6Confident0 Ų061.3 Ų61.30%034%0.335CS..Hα-helixtrans-79.3-34.4171.200000110.9V126 A130 I211 M214 S215 Y220 L221V126-A217 HydrophobicContact CG1-CB 4.43Å; A130-A217 HydrophobicContact CB-CB 3.65Å; I211-A217 HydrophobicContact CG2-CB 4.02Å; M214-A217 HydrophobicContact CB-CB 3.92Å; M214-A217 WeakPolarHBondContact O-CA 3.35Å; M214-A217 WeakPolarHBondContact O-CB 3.4Å; M214-A217 PolarHBondContact O-N 3.25Å; S215-A217 VanDerWaalsContact C-N 3.35Å; S215-A217 PolarHBondContact O-N 3Å; A217-Y220 WeakPolarHBondContact O-CB 3.25Å; A217-Y220 PolarHBondContact O-N 3.37Å; A217-L221 PolarHBondContact O-N 3.36Å
218N79.2Confident79.1Confident39 Ų3962.2 Ų62.221%0.20934%0.34CS..Hα-helixtrans-60.2-51.8178.3-65.6-4.8000111.4I211 A212 M214 S215 Y220 L221 E222 V228I211-N218 PolarHBondContact O-OD1 3.31Å; I211-N218 VanDerWaalsContact O-OD1 3.13Å; A212-N218 PolarHBondContact O-ND2 2.9Å; M214-N218 PolarHBondContact O-N 3.41Å; M214-N218 PolarHBondContact O-OD1 3.4Å; S215-N218 WeakPolarHBondContact O-CB 3.45Å; S215-N218 PolarHBondContact O-N 3.32Å; N218-Y220 VanDerWaalsContact C-N 3.25Å; N218-Y220 PolarHBondContact O-N 2.85Å; N218-L221 PolarHBondContact O-N 3.13Å; N218-L221 VanDerWaalsContact O-N 3.16Å; N218-E222 WeakPolarHBondContact O-CB 3.34Å; N218-E222 PolarHBondContact O-N 3.27Å; N218-V228 VanDerWaalsContact CA-CG2 3.48Å; N218-V228 HydrophobicContact CB-CG2 3.53Å; N218-V228 WeakPolarHBondContact OD1-CG1 3.06Å; N218-V228 WeakPolarHBondContact OD1-CG2 3.12Å
219V75.3Confident78.7Confident86 Ų8666.5 Ų66.552%0.52137%0.37SS..Hα-helixtrans-61.8-30.6175.4177.60000112.6S215 S223S215-V219 PolarHBondContact O-N 2.76Å; S215-V219 VanDerWaalsContact O-N 3.15Å; V219-S223 WeakPolarHBondContact O-CB 3.24Å; V219-S223 PolarHBondContact O-N 3.45Å; V219-S223 PolarHBondContact O-OG 2.97Å
220Y74.3Confident78.6Confident64 Ų6464.3 Ų64.325%0.25136%0.361SS..Hα-helixtrans-70.8-36.6176.1178.8-83.2000112.7V126 K129 A217 N218 S223 K224V126-Y220 HydrophobicContact CG1-CD1 3.78Å; V126-Y220 HydrophobicContact CG1-CE1 4.28Å; V126-Y220 HydrophobicContact CG2-CD1 4.24Å; V126-Y220 HydrophobicContact CG2-CE1 3.91Å; K129-Y220 HydrophobicContact CD-CE2 3.76Å; K129-Y220 PolarHBondContact NZ-OH 2.94Å; A217-Y220 WeakPolarHBondContact O-CB 3.25Å; A217-Y220 PolarHBondContact O-N 3.37Å; N218-Y220 VanDerWaalsContact C-N 3.25Å; N218-Y220 PolarHBondContact O-N 2.85Å; Y220-S223 WeakPolarHBondContact CA-OG 3.48Å; Y220-S223 PolarHBondContact O-OG 3.13Å; Y220-S223 VanDerWaalsContact O-OG 3.14Å; Y220-K224 HydrophobicContact CE1-CG 4.32Å; Y220-K224 WeakPolarHBondContact O-CG 3.28Å; Y220-K224 PolarHBondContact O-N 3.19Å
221L75.8Confident78.5Confident1 Ų159.6 Ų59.61%0.00534%0.341CS..Hα-helixtrans-72.6-41.8174.5-71173.5000111.3V126 I211 A217 N218 S223 K224 G225 T226 V228 A231V126-L221 HydrophobicContact CG1-CD2 4.19Å; V126-L221 HydrophobicContact CG1-CG 4.2Å; V126-L221 HydrophobicContact CG2-CD2 4.36Å; I211-L221 HydrophobicContact CG2-CD1 3.82Å; A217-L221 PolarHBondContact O-N 3.36Å; N218-L221 PolarHBondContact O-N 3.13Å; N218-L221 VanDerWaalsContact O-N 3.16Å; L221-S223 PolarHBondContact O-N 2.86Å; L221-K224 CarbonylContact O-C 3.44Å; L221-K224 VanDerWaalsContact O-CA 3.31Å; L221-K224 WeakPolarHBondContact O-CA 3.47Å; L221-K224 WeakPolarHBondContact O-CB 3.48Å; L221-K224 PolarHBondContact O-N 3.03Å; L221-G225 PolarHBondContact O-N 3.38Å; L221-T226 CarbonylContact C-O 3.52Å; L221-T226 PolarHBondContact O-N 3.03Å; L221-T226 PolarHBondContact O-OG1 2.97Å; L221-V228 HydrophobicContact CD1-CG2 4.42Å; L221-A231 HydrophobicContact CD1-CB 4.31Å
222E77.5Confident78.6Confident139 Ų13961.5 Ų61.565%0.6535%0.353SS*.Hα-helixtrans-60.4-45.5176.9-171.5168-154.200111.9N218 K224 G225 T226N218-E222 WeakPolarHBondContact O-CB 3.34Å; N218-E222 PolarHBondContact O-N 3.27Å; E222-K224 PolarHBondContact O-N 3.02Å; E222-G225 PolarHBondContact O-N 3.5Å; E222-T226 PolarHBondContact N-O 2.86Å
223S69.9Low78.8Confident87 Ų8762 Ų6261%0.60836%0.358SS*.THydrogen-bonded Turntrans-68.30.3171.160.50000114.9V219 Y220 L221V219-S223 WeakPolarHBondContact O-CB 3.24Å; V219-S223 PolarHBondContact O-N 3.45Å; V219-S223 PolarHBondContact O-OG 2.97Å; Y220-S223 WeakPolarHBondContact CA-OG 3.48Å; Y220-S223 PolarHBondContact O-OG 3.13Å; Y220-S223 VanDerWaalsContact O-OG 3.14Å; L221-S223 PolarHBondContact O-N 2.86Å
224K69.2Low79Confident132 Ų13255.7 Ų55.757%0.57433%0.332SS*.THydrogen-bonded Turntrans-106.14.2168.6-75-74.4156.6-152.50113.6Y220 L221 E222Y220-K224 HydrophobicContact CE1-CG 4.32Å; Y220-K224 WeakPolarHBondContact O-CG 3.28Å; Y220-K224 PolarHBondContact O-N 3.19Å; L221-K224 CarbonylContact O-C 3.44Å; L221-K224 VanDerWaalsContact O-CA 3.31Å; L221-K224 WeakPolarHBondContact O-CA 3.47Å; L221-K224 WeakPolarHBondContact O-CB 3.48Å; L221-K224 PolarHBondContact O-N 3.03Å; E222-K224 PolarHBondContact O-N 3.02Å
225G68.8Low79.4Confident39 Ų3954 Ų5440%0.40232%0.324SS..THydrogen-bonded Turntrans76.521.5179.900000113.7L221 E222 Q310L221-G225 PolarHBondContact O-N 3.38Å; E222-G225 PolarHBondContact O-N 3.5Å; G225-Q310 PolarHBondContact O-NE2 3.14Å
226T76.7Confident80Confident11 Ų1151.5 Ų51.57%0.06731%0.309CS..  trans-126.7122.5174.9510000110.3L221 E222 F306L221-T226 CarbonylContact C-O 3.52Å; L221-T226 PolarHBondContact O-N 3.03Å; L221-T226 PolarHBondContact O-OG1 2.97Å; E222-T226 PolarHBondContact N-O 2.86Å; T226-F306 HydrophobicContact CG2-CD2 4.43Å; T226-F306 HydrophobicContact CG2-CE2 3.93Å; T226-F306 HydrophobicContact CG2-CZ 4.29Å
227S81.6Confident80.9Confident61 Ų6152 Ų5243%0.42731%0.311SS..  trans-73.7150.2177.384.40000110.7C229 Q230 A231S227-C229 VanDerWaalsContact C-N 3.3Å; S227-C229 PolarHBondContact O-N 2.88Å; S227-Q230 WeakPolarHBondContact O-CB 3.49Å; S227-Q230 PolarHBondContact O-N 2.95Å; S227-Q230 VanDerWaalsContact OG-CB 3.25Å; S227-Q230 WeakPolarHBondContact OG-CB 3.5Å; S227-Q230 PolarHBondContact OG-N 3.4Å; S227-Q230 VanDerWaalsContact OG-N 3.13Å; S227-A231 PolarHBondContact O-N 2.94Å
228V80.3Confident81.7Confident29 Ų2952.1 Ų52.118%0.17631%0.311CS..Hα-helixtrans-64-38.8-179.8-177.30000111.4A212 N218 L221 A231 T232A212-V228 HydrophobicContact CB-CG1 4.34Å; N218-V228 VanDerWaalsContact CA-CG2 3.48Å; N218-V228 HydrophobicContact CB-CG2 3.53Å; N218-V228 WeakPolarHBondContact OD1-CG1 3.06Å; N218-V228 WeakPolarHBondContact OD1-CG2 3.12Å; L221-V228 HydrophobicContact CD1-CG2 4.42Å; V228-A231 PolarHBondContact O-N 3.42Å; V228-T232 VanDerWaalsContact O-CB 3.23Å; V228-T232 WeakPolarHBondContact O-CB 3.31Å; V228-T232 PolarHBondContact O-N 3.04Å; V228-T232 PolarHBondContact O-OG1 3.41Å
229C81.9Confident82.3Confident101 Ų10151.3 Ų51.368%0.68231%0.307SS*.Hα-helixtrans-60.5-46.2174.7-178.20000110.6S227 T232 A233S227-C229 VanDerWaalsContact C-N 3.3Å; S227-C229 PolarHBondContact O-N 2.88Å; C229-T232 PolarHBondContact O-N 3.15Å; C229-A233 VanDerWaalsContact O-CB 3.23Å; C229-A233 WeakPolarHBondContact O-CB 3.18Å; C229-A233 PolarHBondContact O-N 2.83Å
230Q85.8Confident83.1Confident78 Ų7852.9 Ų52.936%0.36431%0.311SS..Hα-helixtrans-62.8-46.4176-176-174.115.700112.2S227 T232 A233 V234S227-Q230 WeakPolarHBondContact O-CB 3.49Å; S227-Q230 PolarHBondContact O-N 2.95Å; S227-Q230 VanDerWaalsContact OG-CB 3.25Å; S227-Q230 WeakPolarHBondContact OG-CB 3.5Å; S227-Q230 PolarHBondContact OG-N 3.4Å; S227-Q230 VanDerWaalsContact OG-N 3.13Å; Q230-T232 VanDerWaalsContact C-N 3.35Å; Q230-T232 PolarHBondContact O-N 3.18Å; Q230-A233 PolarHBondContact O-N 3.36Å; Q230-V234 HydrophobicContact CG-CG2 4.48Å; Q230-V234 WeakPolarHBondContact O-CB 3.43Å; Q230-V234 WeakPolarHBondContact O-CG2 3.49Å; Q230-V234 PolarHBondContact O-N 2.94Å
231A86.3Confident84Confident3 Ų350.9 Ų50.93%0.02531%0.305CS..Hα-helixtrans-63.5-39.9178.700000112.3F123 L221 S227 V228 G235 F306F123-A231 HydrophobicContact CE1-CB 4.3Å; F123-A231 HydrophobicContact CZ-CB 4.46Å; L221-A231 HydrophobicContact CD1-CB 4.31Å; S227-A231 PolarHBondContact O-N 2.94Å; V228-A231 PolarHBondContact O-N 3.42Å; A231-G235 PolarHBondContact O-N 3.44Å; A231-F306 HydrophobicContact CB-CE2 3.71Å; A231-F306 HydrophobicContact CB-CZ 3.92Å
232T88.1Confident84.6Confident44 Ų4451 Ų5127%0.2731%0.305SS..Hα-helixtrans-68.3-44.7176.1-59.50000111.2I208 V228 C229 Q230 A236I208-T232 HydrophobicContact CG2-CG2 3.8Å; V228-T232 VanDerWaalsContact O-CB 3.23Å; V228-T232 WeakPolarHBondContact O-CB 3.31Å; V228-T232 PolarHBondContact O-N 3.04Å; V228-T232 PolarHBondContact O-OG1 3.41Å; C229-T232 PolarHBondContact O-N 3.15Å; Q230-T232 VanDerWaalsContact C-N 3.35Å; Q230-T232 PolarHBondContact O-N 3.18Å; T232-A236 WeakPolarHBondContact O-CB 3.42Å; T232-A236 PolarHBondContact O-N 3.25Å
233A90Very high85.1Confident50 Ų5046.2 Ų46.241%0.41329%0.286SS..Hα-helixtrans-65.4-50179.300000112C229 Q230 G235 A236 V237C229-A233 VanDerWaalsContact O-CB 3.23Å; C229-A233 WeakPolarHBondContact O-CB 3.18Å; C229-A233 PolarHBondContact O-N 2.83Å; Q230-A233 PolarHBondContact O-N 3.36Å; A233-G235 VanDerWaalsContact C-N 3.35Å; A233-G235 PolarHBondContact O-N 3.23Å; A233-A236 PolarHBondContact O-N 2.88Å; A233-V237 WeakPolarHBondContact O-CG2 3.32Å; A233-V237 PolarHBondContact O-N 2.95Å
234V90.1Very high86.1Confident27 Ų2744.4 Ų44.416%0.16427%0.273CS..Hα-helixtrans-59.8-46.8176.3171.10000110.6Q230 A236 V237 V238 L302 F306Q230-V234 HydrophobicContact CG-CG2 4.48Å; Q230-V234 WeakPolarHBondContact O-CB 3.43Å; Q230-V234 WeakPolarHBondContact O-CG2 3.49Å; Q230-V234 PolarHBondContact O-N 2.94Å; V234-A236 PolarHBondContact O-N 3.1Å; V234-V237 PolarHBondContact O-N 3.19Å; V234-V238 HydrophobicContact CG1-CG2 4.39Å; V234-V238 WeakPolarHBondContact O-CB 3.4Å; V234-V238 VanDerWaalsContact O-CG2 3.27Å; V234-V238 WeakPolarHBondContact O-CG2 3.46Å; V234-V238 PolarHBondContact O-N 3.45Å; V234-L302 HydrophobicContact CG1-CB 4.26Å; V234-F306 HydrophobicContact CG1-CB 4.17Å; V234-F306 HydrophobicContact CG1-CG 4.45Å
235G89.4Confident86.9Confident2 Ų238.7 Ų38.72%0.02125%0.248CC..Hα-helixtrans-63-39.7178.200000113.2A231 A233 V238 I239A231-G235 PolarHBondContact O-N 3.44Å; A233-G235 VanDerWaalsContact C-N 3.35Å; A233-G235 PolarHBondContact O-N 3.23Å; G235-V238 PolarHBondContact O-N 3.44Å; G235-I239 WeakPolarHBondContact O-CB 3.34Å; G235-I239 WeakPolarHBondContact O-CD1 3.41Å; G235-I239 VanDerWaalsContact O-CG1 3.22Å; G235-I239 WeakPolarHBondContact O-CG1 3.46Å; G235-I239 PolarHBondContact O-N 2.97Å
236A91.6Very high87.7Confident40 Ų4036.8 Ų36.833%0.33123%0.229SC..Hα-helixtrans-65.6-43.117600000112.4T232 A233 V234 I239 L240T232-A236 WeakPolarHBondContact O-CB 3.42Å; T232-A236 PolarHBondContact O-N 3.25Å; A233-A236 PolarHBondContact O-N 2.88Å; V234-A236 PolarHBondContact O-N 3.1Å; A236-I239 PolarHBondContact O-N 2.78Å; A236-L240 WeakPolarHBondContact O-CB 3.33Å; A236-L240 VanDerWaalsContact O-CG 3.3Å; A236-L240 WeakPolarHBondContact O-CG 3.35Å; A236-L240 PolarHBondContact O-N 3.1Å
237V93.3Very high88Confident60 Ų6039.1 Ų39.136%0.36424%0.244SC..Hα-helixtrans-63-43.9174.2174.80000110.6A233 V234 I239 L240 L241 L302A233-V237 WeakPolarHBondContact O-CG2 3.32Å; A233-V237 PolarHBondContact O-N 2.95Å; V234-V237 PolarHBondContact O-N 3.19Å; V237-I239 PolarHBondContact O-N 3.49Å; V237-L240 PolarHBondContact O-N 3Å; V237-L241 HydrophobicContact CG1-CD1 3.79Å; V237-L241 HydrophobicContact CG1-CG 4.25Å; V237-L241 VanDerWaalsContact O-CG 3.29Å; V237-L241 WeakPolarHBondContact O-CG 3.46Å; V237-L241 PolarHBondContact O-N 3.02Å; V237-L302 HydrophobicContact CB-CD1 4.25Å; V237-L302 HydrophobicContact CG1-CD1 3.54Å
238V91.4Very high88.1Confident1 Ų138.9 Ų38.91%0.00623%0.234CC..Hα-helixtrans-61.9-40.8176.5169.40000111.9L119 V234 G235 Y242 L302 V303L119-V238 HydrophobicContact CD2-CG1 3.93Å; V234-V238 HydrophobicContact CG1-CG2 4.39Å; V234-V238 WeakPolarHBondContact O-CB 3.4Å; V234-V238 VanDerWaalsContact O-CG2 3.27Å; V234-V238 WeakPolarHBondContact O-CG2 3.46Å; V234-V238 PolarHBondContact O-N 3.45Å; G235-V238 PolarHBondContact O-N 3.44Å; V238-Y242 HydrophobicContact CG1-CD2 3.69Å; V238-Y242 HydrophobicContact CG1-CE2 3.59Å; V238-Y242 VanDerWaalsContact O-CD2 3.24Å; V238-Y242 WeakPolarHBondContact O-CD2 3.44Å; V238-Y242 PolarHBondContact O-N 3.46Å; V238-Y242 VanDerWaalsContact O-N 3.15Å; V238-L302 HydrophobicContact CG2-CB 4.27Å; V238-L302 HydrophobicContact CG2-CD1 4.43Å; V238-V303 HydrophobicContact CG2-CG2 4.24Å
239I91.9Very high88.2Confident23 Ų2337.8 Ų37.812%0.11823%0.228CC..Hα-helixtrans-59.6-51.8171.9-73.2157.1000110.6A201 L204 A205 I208 G235 A236 V237 L241 Y242 T243A201-I239 HydrophobicContact CB-CG2 4.34Å; L204-I239 HydrophobicContact CB-CD1 4.26Å; L204-I239 HydrophobicContact CB-CG1 4.18Å; L204-I239 HydrophobicContact CD2-CD1 4.31Å; L204-I239 HydrophobicContact CD2-CG1 3.83Å; L204-I239 HydrophobicContact CG-CD1 3.97Å; L204-I239 HydrophobicContact CG-CG1 3.99Å; A205-I239 HydrophobicContact CB-CD1 3.77Å; I208-I239 HydrophobicContact CD1-CD1 3.92Å; G235-I239 WeakPolarHBondContact O-CB 3.34Å; G235-I239 WeakPolarHBondContact O-CD1 3.41Å; G235-I239 VanDerWaalsContact O-CG1 3.22Å; G235-I239 WeakPolarHBondContact O-CG1 3.46Å; G235-I239 PolarHBondContact O-N 2.97Å; A236-I239 PolarHBondContact O-N 2.78Å; V237-I239 PolarHBondContact O-N 3.49Å; I239-L241 VanDerWaalsContact C-N 3.34Å; I239-L241 PolarHBondContact O-N 2.98Å; I239-Y242 PolarHBondContact O-N 2.86Å; I239-T243 VanDerWaalsContact O-CB 3.28Å; I239-T243 WeakPolarHBondContact O-CB 3.23Å; I239-T243 PolarHBondContact O-N 3.17Å; I239-T243 PolarHBondContact O-OG1 3.36Å
240L92.3Very high88Confident118 Ų11835.1 Ų35.162%0.61821%0.206SC*.Hα-helixtrans-61-41.9-176.9-73.4169.4000111.9A236 V237 S244A236-L240 WeakPolarHBondContact O-CB 3.33Å; A236-L240 VanDerWaalsContact O-CG 3.3Å; A236-L240 WeakPolarHBondContact O-CG 3.35Å; A236-L240 PolarHBondContact O-N 3.1Å; V237-L240 PolarHBondContact O-N 3Å; L240-S244 VanDerWaalsContact O-CB 3.24Å; L240-S244 WeakPolarHBondContact O-CB 3.48Å; L240-S244 PolarHBondContact O-N 3.15Å; L240-S244 PolarHBondContact O-OG 3.27Å
241L91.6Very high87.6Confident22 Ų2234.8 Ų34.812%0.11521%0.21CC..Hα-helixtrans-66.3-49.4179.3-65.5172.2000111.7V237 I239 T243 S244 R245 L298 P299 L302V237-L241 HydrophobicContact CG1-CD1 3.79Å; V237-L241 HydrophobicContact CG1-CG 4.25Å; V237-L241 VanDerWaalsContact O-CG 3.29Å; V237-L241 WeakPolarHBondContact O-CG 3.46Å; V237-L241 PolarHBondContact O-N 3.02Å; I239-L241 VanDerWaalsContact C-N 3.34Å; I239-L241 PolarHBondContact O-N 2.98Å; L241-T243 PolarHBondContact O-N 3.46Å; L241-S244 PolarHBondContact O-N 3.35Å; L241-S244 PolarHBondContact O-OG 2.88Å; L241-R245 PolarHBondContact O-N 3.49Å; L241-L298 HydrophobicContact CD1-CB 4.18Å; L241-L298 HydrophobicContact CD1-CD2 3.72Å; L241-L298 HydrophobicContact CD1-CG 3.76Å; L241-L298 HydrophobicContact CD2-CD2 4.37Å; L241-P299 HydrophobicContact CB-CG 3.86Å; L241-P299 HydrophobicContact CD1-CG 3.78Å; L241-P299 HydrophobicContact CG-CG 4.46Å; L241-L302 HydrophobicContact CD1-CD1 4.46Å
242Y89.4Confident87Confident4 Ų435 Ų352%0.01621%0.211CC..Hα-helixtrans-63.8-40.5176.8-76-54.4000112.8Q112 L116 F197 V238 I239 A246 P299Q112-Y242 HydrophobicContact CB-CE1 4.16Å; L116-Y242 HydrophobicContact CB-CE2 4.32Å; L116-Y242 HydrophobicContact CD1-CD2 3.95Å; L116-Y242 HydrophobicContact CD1-CE2 4.19Å; L116-Y242 HydrophobicContact CD2-CD2 4.1Å; L116-Y242 HydrophobicContact CD2-CG 4.32Å; L116-Y242 HydrophobicContact CG-CD2 4.46Å; F197-Y242 AromaticContact CD1-CD1 3.91Å; F197-Y242 HydrophobicContact CD1-CD1 3.91Å; F197-Y242 HydrophobicContact CD1-CE1 4.49Å; F197-Y242 HydrophobicContact CD1-CG 4.25Å; F197-Y242 AromaticContact CE1-CD1 3.73Å; F197-Y242 HydrophobicContact CE1-CD1 3.73Å; F197-Y242 AromaticContact CE1-CE1 3.88Å; F197-Y242 HydrophobicContact CE1-CE1 3.88Å; F197-Y242 HydrophobicContact CE1-CG 4.41Å; V238-Y242 HydrophobicContact CG1-CD2 3.69Å; V238-Y242 HydrophobicContact CG1-CE2 3.59Å; V238-Y242 VanDerWaalsContact O-CD2 3.24Å; V238-Y242 WeakPolarHBondContact O-CD2 3.44Å; V238-Y242 PolarHBondContact O-N 3.46Å; V238-Y242 VanDerWaalsContact O-N 3.15Å; I239-Y242 PolarHBondContact O-N 2.86Å; Y242-A246 PolarHBondContact O-N 2.95Å; Y242-A246 VanDerWaalsContact O-N 3.14Å; Y242-P299 HydrophobicContact CE2-CB 4.25Å
243T88.8Confident86.1Confident39 Ų3934.4 Ų34.424%0.23921%0.207CC..Hα-helixtrans-66.2-38.7175.6-59.10000111.3I239 L241 R245 A246 C247I239-T243 VanDerWaalsContact O-CB 3.28Å; I239-T243 WeakPolarHBondContact O-CB 3.23Å; I239-T243 PolarHBondContact O-N 3.17Å; I239-T243 PolarHBondContact O-OG1 3.36Å; L241-T243 PolarHBondContact O-N 3.46Å; T243-R245 PolarHBondContact O-N 3.28Å; T243-A246 PolarHBondContact O-N 3.19Å; T243-C247 VanDerWaalsContact O-CB 3.28Å; T243-C247 WeakPolarHBondContact O-CB 3.38Å; T243-C247 PolarHBondContact O-N 3.15Å; T243-C247 PolarHBondContact O-SG 3.06Å
244S89.6Confident85.1Confident49 Ų4935.9 Ų35.934%0.34322%0.219SC..Hα-helixtrans-63-41.8178.972.60000112.8L240 L241 Y248 W295L240-S244 VanDerWaalsContact O-CB 3.24Å; L240-S244 WeakPolarHBondContact O-CB 3.48Å; L240-S244 PolarHBondContact O-N 3.15Å; L240-S244 PolarHBondContact O-OG 3.27Å; L241-S244 PolarHBondContact O-N 3.35Å; L241-S244 PolarHBondContact O-OG 2.88Å; S244-Y248 WeakPolarHBondContact O-CB 3.45Å; S244-Y248 PolarHBondContact O-N 3.06Å; S244-W295 PolarHBondContact OG-NE1 3.22Å; S244-W295 VanDerWaalsContact OG-NE1 3.09Å
245R86Confident84Confident11 Ų1139.2 Ų39.24%0.04224%0.235CC..Hα-helixtrans-59.4-52.7172.8176.3-177.4179.4158.2-1.7111.5L241 T243 C247 Y248 N249 S272 W295 E296L241-R245 PolarHBondContact O-N 3.49Å; T243-R245 PolarHBondContact O-N 3.28Å; R245-C247 PolarHBondContact O-N 2.97Å; R245-Y248 PolarHBondContact O-N 3.14Å; R245-N249 PolarHBondContact O-N 3.43Å; R245-S272 PolarHBondContact NH2-OG 3.17Å; R245-W295 HydrophobicContact CB-CB 4.37Å; R245-W295 HydrophobicContact CB-CD2 3.64Å; R245-W295 HydrophobicContact CB-CE3 3.99Å; R245-W295 HydrophobicContact CB-CG 3.79Å; R245-W295 HydrophobicContact CG-CD2 3.9Å; R245-W295 HydrophobicContact CG-CE3 3.73Å; R245-W295 HydrophobicContact CG-CG 4.25Å; R245-W295 HydrophobicContact CG-CZ3 4.33Å; R245-E296 IonicContact NH1-OE1 3.27Å; R245-E296 IonicContact NH2-OE1 2.9Å
246A85.7Confident82.5Confident0 Ų041.9 Ų41.90%025%0.254CS..Hα-helixtrans-63.8-42.7-178.400000111.7D194 F197 V198 Y242 T243 N249 L250D194-A246 HydrophobicContact CB-CB 3.82Å; F197-A246 HydrophobicContact CB-CB 4.3Å; V198-A246 HydrophobicContact CG2-CB 3.62Å; Y242-A246 PolarHBondContact O-N 2.95Å; Y242-A246 VanDerWaalsContact O-N 3.14Å; T243-A246 PolarHBondContact O-N 3.19Å; A246-N249 PolarHBondContact O-N 3.18Å; A246-L250 VanDerWaalsContact O-CB 3.3Å; A246-L250 WeakPolarHBondContact O-CB 3.31Å; A246-L250 WeakPolarHBondContact O-CG 3.44Å; A246-L250 PolarHBondContact O-N 2.82Å
247C83.4Confident80.5Confident59 Ų5944.2 Ų44.240%0.39927%0.265SS..Hα-helixtrans-63.8-39.7174.9-72.30000112.6T243 R245 V251T243-C247 VanDerWaalsContact O-CB 3.28Å; T243-C247 WeakPolarHBondContact O-CB 3.38Å; T243-C247 PolarHBondContact O-N 3.15Å; T243-C247 PolarHBondContact O-SG 3.06Å; R245-C247 PolarHBondContact O-N 2.97Å; C247-V251 VanDerWaalsContact O-CB 3.31Å; C247-V251 WeakPolarHBondContact O-CB 3.32Å; C247-V251 WeakPolarHBondContact O-CG2 3.49Å; C247-V251 PolarHBondContact O-N 3.16Å
248Y84Confident78.4Confident56 Ų5649.4 Ų49.422%0.2229%0.286CS..Hα-helixtrans-59.8-53.3173.3173.5-88000111.1S244 R245 L250 V251 V252 V271 W295S244-Y248 WeakPolarHBondContact O-CB 3.45Å; S244-Y248 PolarHBondContact O-N 3.06Å; R245-Y248 PolarHBondContact O-N 3.14Å; Y248-L250 PolarHBondContact O-N 2.94Å; Y248-V251 PolarHBondContact O-N 3.3Å; Y248-V252 HydrophobicContact CD1-CG2 4.2Å; Y248-V252 HydrophobicContact CE1-CG2 3.73Å; Y248-V252 HydrophobicContact CE2-CG2 4.11Å; Y248-V252 WeakPolarHBondContact O-CG2 2.99Å; Y248-V252 PolarHBondContact O-N 3.15Å; Y248-V271 HydrophobicContact CE1-CG2 3.95Å; Y248-W295 AromaticContact CD1-CH2 3.46Å; Y248-W295 HydrophobicContact CD1-CH2 3.46Å; Y248-W295 VanDerWaalsContact CD1-CH2 3.46Å; Y248-W295 HydrophobicContact CD1-CZ2 4.47Å; Y248-W295 HydrophobicContact CD1-CZ3 4.02Å; Y248-W295 HydrophobicContact CD2-CH2 4.12Å; Y248-W295 HydrophobicContact CE1-CH2 4.13Å; Y248-W295 AromaticContact CG-CH2 3.47Å; Y248-W295 HydrophobicContact CG-CH2 3.47Å; Y248-W295 VanDerWaalsContact CG-CH2 3.47Å; Y248-W295 HydrophobicContact CG-CZ2 4.08Å; Y248-W295 HydrophobicContact CG-CZ3 4.44Å
249N81.6Confident76.2Confident6 Ų657 Ų573%0.03233%0.326CS..Hα-helixtrans-58.1-47.2179.7-72.3-4.2000111.6V190 D194 R245 A246 V251 V252 V253V190-N249 HydrophobicContact CG1-CB 4.12Å; D194-N249 PolarHBondContact OD1-ND2 3.33Å; D194-N249 WeakPolarHBondContact OD2-CB 3.35Å; D194-N249 PolarHBondContact OD2-ND2 3.18Å; R245-N249 PolarHBondContact O-N 3.43Å; A246-N249 PolarHBondContact O-N 3.18Å; N249-V251 VanDerWaalsContact C-N 3.33Å; N249-V251 PolarHBondContact O-N 2.94Å; N249-V252 PolarHBondContact O-N 3.02Å; N249-V253 WeakPolarHBondContact O-CB 3.49Å; N249-V253 WeakPolarHBondContact O-CG2 3.5Å; N249-V253 PolarHBondContact O-N 3.26Å
250L78.8Confident73.7Confident45 Ų4565.7 Ų65.724%0.23636%0.358CS..Hα-helixtrans-62.5-37.1178.2-70.6170.6000112.4L191 D194 V198 A246 Y248 A254L191-L250 HydrophobicContact CD1-CD2 3.61Å; D194-L250 HydrophobicContact CB-CD1 4.41Å; D194-L250 HydrophobicContact CB-CD2 4.31Å; D194-L250 HydrophobicContact CB-CG 4.07Å; V198-L250 HydrophobicContact CG2-CD1 4.49Å; A246-L250 VanDerWaalsContact O-CB 3.3Å; A246-L250 WeakPolarHBondContact O-CB 3.31Å; A246-L250 WeakPolarHBondContact O-CG 3.44Å; A246-L250 PolarHBondContact O-N 2.82Å; Y248-L250 PolarHBondContact O-N 2.94Å; L250-A254 WeakPolarHBondContact O-CB 3.4Å; L250-A254 PolarHBondContact O-N 2.85Å
251V77.6Confident71.4Confident72 Ų7265.9 Ų65.944%0.43637%0.366SS..Hα-helixtrans-68.6-42.1174.4166.40000111.2C247 Y248 N249 A254 L255C247-V251 VanDerWaalsContact O-CB 3.31Å; C247-V251 WeakPolarHBondContact O-CB 3.32Å; C247-V251 WeakPolarHBondContact O-CG2 3.49Å; C247-V251 PolarHBondContact O-N 3.16Å; Y248-V251 PolarHBondContact O-N 3.3Å; N249-V251 VanDerWaalsContact C-N 3.33Å; N249-V251 PolarHBondContact O-N 2.94Å; V251-A254 PolarHBondContact O-N 3.1Å; V251-L255 HydrophobicContact CG1-CD1 3.62Å; V251-L255 HydrophobicContact CG1-CG 4.2Å; V251-L255 VanDerWaalsContact O-CB 3.26Å; V251-L255 WeakPolarHBondContact O-CB 3.45Å; V251-L255 VanDerWaalsContact O-CG 3.29Å; V251-L255 WeakPolarHBondContact O-CG 3.3Å; V251-L255 PolarHBondContact O-N 3.23Å
252V72Confident69.1Low7 Ų766.2 Ų66.24%0.04237%0.37CS..Hα-helixtrans-64-41.9175.61760000111.2Y248 N249 S256Y248-V252 HydrophobicContact CD1-CG2 4.2Å; Y248-V252 HydrophobicContact CE1-CG2 3.73Å; Y248-V252 HydrophobicContact CE2-CG2 4.11Å; Y248-V252 WeakPolarHBondContact O-CG2 2.99Å; Y248-V252 PolarHBondContact O-N 3.15Å; N249-V252 PolarHBondContact O-N 3.02Å; V252-S256 WeakPolarHBondContact O-CB 3.39Å; V252-S256 PolarHBondContact O-N 3.44Å
253V70.8Confident66.6Low31 Ų3169.8 Ų69.819%0.18839%0.394CS..Hα-helixtrans-64-44.2175.2169.20000111.6L187 V190 N249 S256L187-V253 HydrophobicContact CD2-CG1 4.26Å; L187-V253 HydrophobicContact CD2-CG2 3.94Å; V190-V253 HydrophobicContact CG1-CG2 3.88Å; N249-V253 WeakPolarHBondContact O-CB 3.49Å; N249-V253 WeakPolarHBondContact O-CG2 3.5Å; N249-V253 PolarHBondContact O-N 3.26Å; V253-S256 PolarHBondContact O-N 2.95Å
254A68.4Low64.5Low81 Ų8173 Ų7367%0.66941%0.405SS*.Hα-helixtrans-71.9-30.2-179.900000113.7L250 V251 S256L250-A254 WeakPolarHBondContact O-CB 3.4Å; L250-A254 PolarHBondContact O-N 2.85Å; V251-A254 PolarHBondContact O-N 3.1Å; A254-S256 VanDerWaalsContact C-N 3.34Å
255L67.6Low62.2Low97 Ų9776.5 Ų76.551%0.50843%0.429SS..THydrogen-bonded Turntrans-92.613.3176.6-61.9-179.8000113.5V251 P257 P263V251-L255 HydrophobicContact CG1-CD1 3.62Å; V251-L255 HydrophobicContact CG1-CG 4.2Å; V251-L255 VanDerWaalsContact O-CB 3.26Å; V251-L255 WeakPolarHBondContact O-CB 3.45Å; V251-L255 VanDerWaalsContact O-CG 3.29Å; V251-L255 WeakPolarHBondContact O-CG 3.3Å; V251-L255 PolarHBondContact O-N 3.23Å; L255-P257 WeakPolarHBondContact O-CD 3.42Å; L255-P263 HydrophobicContact CB-CG 4Å; L255-P263 HydrophobicContact CD1-CG 4.25Å
256S56.1Low60.4Low58 Ų5879.9 Ų79.941%0.40644%0.442SS..  trans-114.160.3175.3-179.10000112.3V252 V253 A254V252-S256 WeakPolarHBondContact O-CB 3.39Å; V252-S256 PolarHBondContact O-N 3.44Å; V253-S256 PolarHBondContact O-N 2.95Å; A254-S256 VanDerWaalsContact C-N 3.34Å
257P49.5Very low58.5Low89 Ų8981.4 Ų81.458%0.57846%0.457SS*.  trans-63.5165.7165.533-35.6000110.5L255L255-P257 WeakPolarHBondContact O-CD 3.42Å
258Q51Low57.1Low169 Ų16979.3 Ų79.379%0.7944%0.441SS*.THydrogen-bonded Turntrans-56142.1-174-71.9157-54.100113R260Q258-R260 PolarHBondContact O-N 3.08Å
259D44.7Very low55.4Low160 Ų16079.5 Ų79.586%0.85644%0.442SS*.THydrogen-bonded Turntrans61.534.9168.4-51.1-37.2000117.9
260R39.4Very low54Low207 Ų20779.9 Ų79.978%0.78145%0.445SS*.SBendtrans-131147.9156.8-76.2-169.7169.2-178-3.7113Q258Q258-R260 PolarHBondContact O-N 3.08Å
261P42.7Very low52.6Low122 Ų12277.9 Ų77.979%0.79244%0.435SS*.  trans-62.5151.9166.429.4-34.9000110.1
262S43.3Very low51.2Low28 Ų2874.8 Ų74.820%0.19642%0.416CS..  trans-57.2146.2-178.351.80000112.4F264 G267S262-F264 CarbonylContact O-C 3.48Å; S262-F264 PolarHBondContact O-N 3.44Å; S262-F264 VanDerWaalsContact O-O 3.13Å; S262-F264 PolarHBondContact OG-O 2.79Å; S262-G267 VanDerWaalsContact OG-CA 3.25Å; S262-G267 WeakPolarHBondContact OG-CA 3.47Å; S262-G267 PolarHBondContact OG-N 3.43Å
263P38.4Very low49.9Very low79 Ų7975 Ų7551%0.51342%0.417SS..SBendtrans-65.3-13.6-178.327.2-36.4000114.2L255L255-P263 HydrophobicContact CB-CG 4Å; L255-P263 HydrophobicContact CD1-CG 4.25Å
264F43.8Very low48.9Very low108 Ų10874.9 Ų74.947%0.47441%0.414SS..SBendtrans-104.1135.5163.8-60.1-77.3000109.2S262 Y266S262-F264 CarbonylContact O-C 3.48Å; S262-F264 PolarHBondContact O-N 3.44Å; S262-F264 VanDerWaalsContact O-O 3.13Å; S262-F264 PolarHBondContact OG-O 2.79Å; F264-Y266 PolarHBondContact O-N 3.28Å
265S42.4Very low47.8Very low121 Ų12171.9 Ų71.985%0.84639%0.39SS*.THydrogen-bonded Turntrans-647-171.3-44.10000116.7
266Y46.8Very low46.6Very low83 Ų8369 Ų6933%0.32538%0.375SS..THydrogen-bonded Turntrans-111.7-8-170.3-66.9-72.3000115F264 W268F264-Y266 PolarHBondContact O-N 3.28Å; Y266-W268 AromaticContact CD1-CH2 3.94Å; Y266-W268 HydrophobicContact CD1-CH2 3.94Å; Y266-W268 HydrophobicContact CD1-CZ2 4.04Å; Y266-W268 HydrophobicContact CG-CH2 4.2Å; Y266-W268 HydrophobicContact CG-CZ2 4.42Å; Y266-W268 HydrophobicContact CG-CZ3 4.49Å; Y266-W268 PolarHBondContact O-N 3.36Å; Y266-W268 PolarHBondContact O-NE1 2.94Å
267G46.4Very low46.1Very low31 Ų3171.3 Ų71.332%0.3239%0.386SS..  trans73.8-17.3170.200000117.9S262 Y269S262-G267 VanDerWaalsContact OG-CA 3.25Å; S262-G267 WeakPolarHBondContact OG-CA 3.47Å; S262-G267 PolarHBondContact OG-N 3.43Å; G267-Y269 PolarHBondContact O-N 2.92Å
268W53.4Low45.7Very low16 Ų1673 Ų736%0.06139%0.386CS..  trans-76.2110.5-169.1-46.1-36000113.9Y266 V271 I280 G284 F288Y266-W268 AromaticContact CD1-CH2 3.94Å; Y266-W268 HydrophobicContact CD1-CH2 3.94Å; Y266-W268 HydrophobicContact CD1-CZ2 4.04Å; Y266-W268 HydrophobicContact CG-CH2 4.2Å; Y266-W268 HydrophobicContact CG-CZ2 4.42Å; Y266-W268 HydrophobicContact CG-CZ3 4.49Å; Y266-W268 PolarHBondContact O-N 3.36Å; Y266-W268 PolarHBondContact O-NE1 2.94Å; W268-V271 HydrophobicContact CB-CG2 3.98Å; W268-V271 HydrophobicContact CE3-CG1 4.22Å; W268-V271 HydrophobicContact CE3-CG2 4.39Å; W268-I280 HydrophobicContact CH2-CD1 4.36Å; W268-I280 HydrophobicContact CH2-CG2 4.08Å; W268-I280 HydrophobicContact CZ2-CB 4.41Å; W268-I280 HydrophobicContact CZ2-CD1 3.62Å; W268-I280 HydrophobicContact CZ2-CG1 3.78Å; W268-I280 HydrophobicContact CZ2-CG2 3.78Å; W268-G284 WeakPolarHBondContact CH2-O 3.35Å; W268-F288 HydrophobicContact CH2-CB 4.05Å; W268-F288 HydrophobicContact CZ3-CB 4.13Å
269Y49.8Very low45.5Very low60 Ų6074.6 Ų74.624%0.23539%0.391CS..SBendtrans-95.4-8.7170.558.4-92.8000114V186 L187 V190 G267 Q274V186-Y269 HydrophobicContact CG1-CE2 3.86Å; L187-Y269 HydrophobicContact CD2-CD2 4.23Å; L187-Y269 HydrophobicContact CD2-CE2 4.44Å; V190-Y269 HydrophobicContact CG2-CD2 4.47Å; G267-Y269 PolarHBondContact O-N 2.92Å; Y269-Q274 VanDerWaalsContact CE2-OE1 3.26Å; Y269-Q274 PolarHBondContact OH-NE2 3.24Å
270S51.2Low46Very low13 Ų1368.1 Ų68.19%0.09136%0.356CS..SBendtrans-144.481.6168.1-173.40000111S272 D273 Q274S270-S272 PolarHBondContact O-N 3.04Å; S270-S272 VanDerWaalsContact O-N 3.1Å; S270-D273 PolarHBondContact O-N 2.83Å; S270-D273 WeakPolarHBondContact OG-CB 3.45Å; S270-Q274 PolarHBondContact O-N 2.74Å
271V49.8Very low46.8Very low4 Ų462.6 Ų62.62%0.02435%0.349CS..THydrogen-bonded Turntrans-55.9-33.1-170.8-171.50000113.2Y248 W268 D273 F288 I291 W295Y248-V271 HydrophobicContact CE1-CG2 3.95Å; W268-V271 HydrophobicContact CB-CG2 3.98Å; W268-V271 HydrophobicContact CE3-CG1 4.22Å; W268-V271 HydrophobicContact CE3-CG2 4.39Å; V271-D273 PolarHBondContact O-N 3.44Å; V271-F288 HydrophobicContact CG1-CD2 3.79Å; V271-F288 HydrophobicContact CG1-CE2 4Å; V271-F288 WeakPolarHBondContact O-CE2 3.33Å; V271-I291 HydrophobicContact CB-CG2 4.49Å; V271-I291 HydrophobicContact CG1-CG2 3.94Å; V271-W295 HydrophobicContact CB-CZ3 4.34Å; V271-W295 HydrophobicContact CG2-CZ3 4.02Å
272S47.8Very low47.9Very low7 Ų757.2 Ų57.25%0.04932%0.316CS..THydrogen-bonded Turntrans-77.2-15.1179.8171.90000115R79 V109 R245 S270 E296R79-S272 PolarHBondContact NH2-OG 3.28Å; R79-S272 VanDerWaalsContact NH2-OG 3.08Å; V109-S272 WeakPolarHBondContact CG2-OG 3.38Å; R245-S272 PolarHBondContact NH2-OG 3.17Å; S270-S272 PolarHBondContact O-N 3.04Å; S270-S272 VanDerWaalsContact O-N 3.1Å; S272-E296 WeakPolarHBondContact CB-OE1 3.34Å; S272-E296 PolarHBondContact OG-OE1 2.66Å; S272-E296 VanDerWaalsContact OG-OE1 3.12Å
273D45.6Very low48.9Very low10 Ų1061.8 Ų61.85%0.05333%0.334CS..THydrogen-bonded Turntrans-122.9-17.3-166.1-163.179.9000113Y101 R189 S270 V271Y101-D273 PolarHBondContact OH-O 2.85Å; R189-D273 IonicContact CZ-OD1 3.59Å; R189-D273 IonicContact CZ-OD2 2.7Å; R189-D273 IonicContact NH1-OD1 2.85Å; R189-D273 IonicContact NH1-OD2 2.74Å; R189-D273 PolarHBondContact NH1-OD2 3.39Å; R189-D273 IonicContact NH2-OD1 3.61Å; R189-D273 PolarHBondContact NH2-OD1 3.4Å; R189-D273 IonicContact NH2-OD2 3.44Å; R189-D273 PolarHBondContact NH2-OD2 3.29Å; S270-D273 PolarHBondContact O-N 2.83Å; S270-D273 WeakPolarHBondContact OG-CB 3.45Å; V271-D273 PolarHBondContact O-N 3.44Å
274Q48.2Very low50.4Low29 Ų2958.2 Ų58.214%0.13631%0.312CS..  trans-119.619.6-173.8-60.7-171.5-68.900114.4Y269 S270 D276 V277Y269-Q274 VanDerWaalsContact CE2-OE1 3.26Å; Y269-Q274 PolarHBondContact OH-NE2 3.24Å; S270-Q274 PolarHBondContact O-N 2.74Å; Q274-D276 PolarHBondContact O-N 2.7Å; Q274-V277 HydrophobicContact CB-CG2 4.4Å; Q274-V277 PolarHBondContact O-N 3.48Å
275A46.6Very low51.8Low18 Ų1854.6 Ų54.615%0.14930%0.295CS..THydrogen-bonded Turntrans-57.3-10.4177.600000114.9F288A275-F288 HydrophobicContact CB-CE1 4.38Å; A275-F288 HydrophobicContact CB-CE2 3.51Å; A275-F288 HydrophobicContact CB-CZ 3.37Å
276D42.8Very low53.3Low37 Ų3751.5 Ų51.520%0.19827%0.268CS..THydrogen-bonded Turntrans-113.2-6.8-167.5-159.140.9000113.7N94 Q274N94-D276 PolarHBondContact ND2-OD1 3.24Å; N94-D276 PolarHBondContact ND2-OD2 3.48Å; Q274-D276 PolarHBondContact O-N 2.7Å
277V44.8Very low54.8Low107 Ų10750.1 Ų50.165%0.64827%0.268SS*.SBendtrans-89.3-19.5-171.8-175.50000113.1Q274Q274-V277 HydrophobicContact CB-CG2 4.4Å; Q274-V277 PolarHBondContact O-N 3.48Å
278Q40.7Very low56.1Low124 Ų12449.4 Ų49.458%0.57926%0.257SS*.SBendtrans-130148.3170.5-80175.5-47.600109.2I280Q278-I280 PolarHBondContact O-N 3.17Å
279K47.8Very low57.3Low202 Ų20248.8 Ų48.888%0.87826%0.255SS*.  trans-64.497.9169.2-78.2-177.2172.9-178.60108.9S281K279-S281 PolarHBondContact O-N 3.05Å
280I55.2Low58.8Low25 Ų2549.9 Ų49.913%0.12826%0.264CS..  trans-76.979.9172.9-53.2-179000107.9W268 Q278 G284 Y285 F288W268-I280 HydrophobicContact CH2-CD1 4.36Å; W268-I280 HydrophobicContact CH2-CG2 4.08Å; W268-I280 HydrophobicContact CZ2-CB 4.41Å; W268-I280 HydrophobicContact CZ2-CD1 3.62Å; W268-I280 HydrophobicContact CZ2-CG1 3.78Å; W268-I280 HydrophobicContact CZ2-CG2 3.78Å; Q278-I280 PolarHBondContact O-N 3.17Å; I280-G284 WeakPolarHBondContact CG2-O 3.46Å; I280-Y285 HydrophobicContact CG2-CD2 4.38Å; I280-Y285 VanDerWaalsContact CG2-N 3.33Å; I280-F288 HydrophobicContact CD1-CD2 4.12Å; I280-F288 HydrophobicContact CD1-CE2 4.5Å; I280-F288 HydrophobicContact CD1-CG 4.35Å; I280-F288 HydrophobicContact CG2-CB 4.45Å
281S54.8Low60.4Low90 Ų9050.7 Ų50.763%0.62927%0.267SS*.  trans-93.6139.5177.153.30000112.1E29 K279E29-S281 WeakPolarHBondContact OE1-CA 3.49Å; K279-S281 PolarHBondContact O-N 3.05Å
282G66.6Low61.9Low9 Ų950.7 Ų50.79%0.09327%0.267CS..THydrogen-bonded Turntrans71.2-125.9169.200000114.5E29 G284 Y285 I286E29-G282 PolarHBondContact OE1-N 3.43Å; G282-G284 PolarHBondContact O-N 2.89Å; G282-Y285 WeakPolarHBondContact O-CB 3.35Å; G282-Y285 PolarHBondContact O-N 2.84Å; G282-I286 PolarHBondContact O-N 3.34Å
283E64.8Low63.8Low125 Ų12553.9 Ų53.958%0.58428%0.28SS*.Hα-helixtrans-55.8-38.9-173.7-69.4-164.5166.600112.6I24 Y285 I286 V287I24-E283 HydrophobicContact CD1-CB 4.38Å; I24-E283 HydrophobicContact CD1-CG 3.43Å; I24-E283 VanDerWaalsContact CD1-CG 3.43Å; E283-Y285 PolarHBondContact O-N 3.34Å; E283-I286 WeakPolarHBondContact O-CB 3.29Å; E283-I286 PolarHBondContact O-N 2.81Å; E283-I286 VanDerWaalsContact O-N 3.16Å; E283-V287 WeakPolarHBondContact O-CG2 3.34Å; E283-V287 PolarHBondContact O-N 2.86Å
284G69.1Low65.8Low4 Ų458.2 Ų58.24%0.04130%0.298CS..Hα-helixtrans-56.3-35.7175.900000112.7W268 I280 G282 V287 F288W268-G284 WeakPolarHBondContact CH2-O 3.35Å; I280-G284 WeakPolarHBondContact CG2-O 3.46Å; G282-G284 PolarHBondContact O-N 2.89Å; G284-V287 PolarHBondContact O-N 3.41Å; G284-F288 WeakPolarHBondContact O-CB 3.35Å; G284-F288 PolarHBondContact O-N 2.9Å
285Y73Confident67.7Low32 Ų3258.2 Ų58.213%0.12530%0.297CS..Hα-helixtrans-72.3-35.6-178.2-165-98.3000111.5E29 L32 T33 I280 G282 E283 F288 G289E29-Y285 HydrophobicContact CB-CD1 4Å; E29-Y285 HydrophobicContact CB-CE1 4.27Å; E29-Y285 HydrophobicContact CB-CG 4.48Å; E29-Y285 HydrophobicContact CG-CD1 3.95Å; E29-Y285 HydrophobicContact CG-CG 4.1Å; L32-Y285 HydrophobicContact CB-CD1 4.47Å; L32-Y285 HydrophobicContact CB-CE1 4.12Å; L32-Y285 HydrophobicContact CD2-CD1 3.81Å; L32-Y285 HydrophobicContact CD2-CE1 3.96Å; L32-Y285 HydrophobicContact CG-CE1 4.23Å; T33-Y285 PolarHBondContact OG1-OH 3.24Å; I280-Y285 HydrophobicContact CG2-CD2 4.38Å; I280-Y285 VanDerWaalsContact CG2-N 3.33Å; G282-Y285 WeakPolarHBondContact O-CB 3.35Å; G282-Y285 PolarHBondContact O-N 2.84Å; E283-Y285 PolarHBondContact O-N 3.34Å; Y285-F288 HydrophobicContact CE2-CD1 4.49Å; Y285-G289 PolarHBondContact O-N 3.37Å
286I74.1Confident69.7Low56 Ų5657.5 Ų57.529%0.28729%0.291SS..Hα-helixtrans-65.4-50173.8-49.2173.3000109.9I24 L28 G282 E283 G289 I290I24-I286 HydrophobicContact CD1-CD1 4.1Å; I24-I286 HydrophobicContact CG2-CD1 4.47Å; L28-I286 HydrophobicContact CD2-CD1 3.6Å; L28-I286 HydrophobicContact CD2-CG1 4.02Å; G282-I286 PolarHBondContact O-N 3.34Å; E283-I286 WeakPolarHBondContact O-CB 3.29Å; E283-I286 PolarHBondContact O-N 2.81Å; E283-I286 VanDerWaalsContact O-N 3.16Å; I286-G289 PolarHBondContact O-N 3.03Å; I286-I290 HydrophobicContact CG2-CD1 3.98Å; I286-I290 WeakPolarHBondContact O-CG1 3.14Å; I286-I290 PolarHBondContact O-N 3.25Å
287V77.8Confident71.9Confident54 Ų5456.2 Ų56.233%0.32728%0.284SS..Hα-helixtrans-60.8-46.5178.8172.40000111E283 G284 G289 I290 I291E283-V287 WeakPolarHBondContact O-CG2 3.34Å; E283-V287 PolarHBondContact O-N 2.86Å; G284-V287 PolarHBondContact O-N 3.41Å; V287-G289 PolarHBondContact O-N 3.08Å; V287-I290 PolarHBondContact O-N 3.47Å; V287-I291 HydrophobicContact CG1-CD1 3.74Å; V287-I291 HydrophobicContact CG1-CG1 4.48Å; V287-I291 WeakPolarHBondContact O-CB 3.38Å; V287-I291 VanDerWaalsContact O-CG1 3.25Å; V287-I291 WeakPolarHBondContact O-CG1 3.36Å; V287-I291 PolarHBondContact O-N 2.99Å
288F74.8Confident74.1Confident16 Ų1653.2 Ų53.27%0.0726%0.264CS..Hα-helixtrans-55.8-48.1174.2173.3-100.1000112.2W268 V271 A275 I280 G284 Y285 I291 L292W268-F288 HydrophobicContact CH2-CB 4.05Å; W268-F288 HydrophobicContact CZ3-CB 4.13Å; V271-F288 HydrophobicContact CG1-CD2 3.79Å; V271-F288 HydrophobicContact CG1-CE2 4Å; V271-F288 WeakPolarHBondContact O-CE2 3.33Å; A275-F288 HydrophobicContact CB-CE1 4.38Å; A275-F288 HydrophobicContact CB-CE2 3.51Å; A275-F288 HydrophobicContact CB-CZ 3.37Å; I280-F288 HydrophobicContact CD1-CD2 4.12Å; I280-F288 HydrophobicContact CD1-CE2 4.5Å; I280-F288 HydrophobicContact CD1-CG 4.35Å; I280-F288 HydrophobicContact CG2-CB 4.45Å; G284-F288 WeakPolarHBondContact O-CB 3.35Å; G284-F288 PolarHBondContact O-N 2.9Å; Y285-F288 HydrophobicContact CE2-CD1 4.49Å; F288-I291 PolarHBondContact O-N 3.47Å; F288-L292 HydrophobicContact CD1-CD1 4.21Å; F288-L292 HydrophobicContact CE1-CD1 3.5Å; F288-L292 VanDerWaalsContact CE1-CD1 3.5Å; F288-L292 HydrophobicContact CE1-CG 4.28Å; F288-L292 HydrophobicContact CE2-CD1 4.29Å; F288-L292 HydrophobicContact CE2-CG 4.4Å; F288-L292 HydrophobicContact CZ-CD1 3.54Å; F288-L292 HydrophobicContact CZ-CG 4.13Å; F288-L292 PolarHBondContact O-N 2.83Å
289G78Confident76.5Confident2 Ų247.3 Ų47.32%0.02124%0.236CC..Hα-helixtrans-58.8-50.2175.800000112.5Y36 Y285 I286 V287 I291 L292 F293Y36-G289 PolarHBondContact OH-O 2.68Å; Y285-G289 PolarHBondContact O-N 3.37Å; I286-G289 PolarHBondContact O-N 3.03Å; V287-G289 PolarHBondContact O-N 3.08Å; G289-I291 VanDerWaalsContact C-N 3.28Å; G289-I291 PolarHBondContact O-N 3.02Å; G289-L292 PolarHBondContact O-N 3.08Å; G289-F293 PolarHBondContact O-N 2.96Å
290I81.9Confident78.5Confident84 Ų8437.9 Ų37.943%0.43120%0.196SC..Hα-helixtrans-56.7-42.9177.4-69.1166.8000110.9I286 V287 F293 F294I286-I290 HydrophobicContact CG2-CD1 3.98Å; I286-I290 WeakPolarHBondContact O-CG1 3.14Å; I286-I290 PolarHBondContact O-N 3.25Å; V287-I290 PolarHBondContact O-N 3.47Å; I290-F293 WeakPolarHBondContact O-CB 3.36Å; I290-F293 PolarHBondContact O-N 2.85Å; I290-F294 HydrophobicContact CG2-CD2 3.87Å; I290-F294 HydrophobicContact CG2-CE2 3.93Å; I290-F294 WeakPolarHBondContact O-CD2 3.45Å; I290-F294 PolarHBondContact O-N 3.5Å; I290-F294 VanDerWaalsContact O-N 3.11Å
291I83.7Confident80.2Confident30 Ų3038.4 Ų38.415%0.15420%0.201CC..Hα-helixtrans-62.5-46.7177.4-70.4167.4000111.2V271 V287 F288 G289 F293 F294 W295V271-I291 HydrophobicContact CB-CG2 4.49Å; V271-I291 HydrophobicContact CG1-CG2 3.94Å; V287-I291 HydrophobicContact CG1-CD1 3.74Å; V287-I291 HydrophobicContact CG1-CG1 4.48Å; V287-I291 WeakPolarHBondContact O-CB 3.38Å; V287-I291 VanDerWaalsContact O-CG1 3.25Å; V287-I291 WeakPolarHBondContact O-CG1 3.36Å; V287-I291 PolarHBondContact O-N 2.99Å; F288-I291 PolarHBondContact O-N 3.47Å; G289-I291 VanDerWaalsContact C-N 3.28Å; G289-I291 PolarHBondContact O-N 3.02Å; I291-F293 VanDerWaalsContact C-N 3.31Å; I291-F293 PolarHBondContact O-N 3.32Å; I291-F294 PolarHBondContact O-N 3.3Å; I291-W295 HydrophobicContact CG2-CD2 3.73Å; I291-W295 HydrophobicContact CG2-CE3 3.2Å; I291-W295 HydrophobicContact CG2-CG 4.49Å; I291-W295 HydrophobicContact CG2-CH2 3.85Å; I291-W295 HydrophobicContact CG2-CZ2 4.35Å; I291-W295 HydrophobicContact CG2-CZ3 3.28Å; I291-W295 WeakPolarHBondContact O-CB 3.42Å; I291-W295 PolarHBondContact O-N 3.14Å
292L83Confident81.9Confident4 Ų436.1 Ų36.12%0.02118%0.182CC..Hα-helixtrans-62.1-36.4175.1-70.4-174.5000112.8F83 F288 G289 E296 L297F83-L292 HydrophobicContact CZ-CD1 3.85Å; F288-L292 HydrophobicContact CD1-CD1 4.21Å; F288-L292 HydrophobicContact CE1-CD1 3.5Å; F288-L292 VanDerWaalsContact CE1-CD1 3.5Å; F288-L292 HydrophobicContact CE1-CG 4.28Å; F288-L292 HydrophobicContact CE2-CD1 4.29Å; F288-L292 HydrophobicContact CE2-CG 4.4Å; F288-L292 HydrophobicContact CZ-CD1 3.54Å; F288-L292 HydrophobicContact CZ-CG 4.13Å; F288-L292 PolarHBondContact O-N 2.83Å; G289-L292 PolarHBondContact O-N 3.08Å; L292-E296 HydrophobicContact CD2-CG 4.31Å; L292-E296 WeakPolarHBondContact O-CA 3.38Å; L292-E296 VanDerWaalsContact O-CB 3.29Å; L292-E296 WeakPolarHBondContact O-CB 3.41Å; L292-E296 PolarHBondContact O-N 3.41Å; L292-L297 PolarHBondContact O-N 3.04Å
293F86.3Confident83Confident73 Ų7335.8 Ų35.832%0.3218%0.178SC..Iπ-helixtrans-59.1-52.7175.2-179.6-87.6000111.1Y36 G289 I290 I291 L297 L298Y36-F293 HydrophobicContact CE1-CB 4.27Å; Y36-F293 HydrophobicContact CE1-CD2 4.45Å; G289-F293 PolarHBondContact O-N 2.96Å; I290-F293 WeakPolarHBondContact O-CB 3.36Å; I290-F293 PolarHBondContact O-N 2.85Å; I291-F293 VanDerWaalsContact C-N 3.31Å; I291-F293 PolarHBondContact O-N 3.32Å; F293-L297 HydrophobicContact CD2-CD2 3.86Å; F293-L297 HydrophobicContact CE2-CD2 4.03Å; F293-L297 PolarHBondContact O-N 3.07Å; F293-L298 WeakPolarHBondContact O-CB 3.17Å; F293-L298 PolarHBondContact O-N 3.24Å
294F88.5Confident84.2Confident101 Ų10129.9 Ų29.944%0.44315%0.151SC..Iπ-helixtrans-72.3-39-177.3-80.1-71.9000113.9I290 I291 L298 P299I290-F294 HydrophobicContact CG2-CD2 3.87Å; I290-F294 HydrophobicContact CG2-CE2 3.93Å; I290-F294 WeakPolarHBondContact O-CD2 3.45Å; I290-F294 PolarHBondContact O-N 3.5Å; I290-F294 VanDerWaalsContact O-N 3.11Å; I291-F294 PolarHBondContact O-N 3.3Å; F294-L298 HydrophobicContact CD1-CD2 3.79Å; F294-L298 HydrophobicContact CE1-CD2 4.19Å; F294-P299 WeakPolarHBondContact O-CD 3.27Å
295W88.1Confident85Confident30 Ų3033 Ų3311%0.11417%0.168CC..Iπ-helixtrans-90.2-11.3-175.3-70-12.7000115S244 R245 Y248 V271 I291S244-W295 PolarHBondContact OG-NE1 3.22Å; S244-W295 VanDerWaalsContact OG-NE1 3.09Å; R245-W295 HydrophobicContact CB-CB 4.37Å; R245-W295 HydrophobicContact CB-CD2 3.64Å; R245-W295 HydrophobicContact CB-CE3 3.99Å; R245-W295 HydrophobicContact CB-CG 3.79Å; R245-W295 HydrophobicContact CG-CD2 3.9Å; R245-W295 HydrophobicContact CG-CE3 3.73Å; R245-W295 HydrophobicContact CG-CG 4.25Å; R245-W295 HydrophobicContact CG-CZ3 4.33Å; Y248-W295 AromaticContact CD1-CH2 3.46Å; Y248-W295 HydrophobicContact CD1-CH2 3.46Å; Y248-W295 VanDerWaalsContact CD1-CH2 3.46Å; Y248-W295 HydrophobicContact CD1-CZ2 4.47Å; Y248-W295 HydrophobicContact CD1-CZ3 4.02Å; Y248-W295 HydrophobicContact CD2-CH2 4.12Å; Y248-W295 HydrophobicContact CE1-CH2 4.13Å; Y248-W295 AromaticContact CG-CH2 3.47Å; Y248-W295 HydrophobicContact CG-CH2 3.47Å; Y248-W295 VanDerWaalsContact CG-CH2 3.47Å; Y248-W295 HydrophobicContact CG-CZ2 4.08Å; Y248-W295 HydrophobicContact CG-CZ3 4.44Å; V271-W295 HydrophobicContact CB-CZ3 4.34Å; V271-W295 HydrophobicContact CG2-CZ3 4.02Å; I291-W295 HydrophobicContact CG2-CD2 3.73Å; I291-W295 HydrophobicContact CG2-CE3 3.2Å; I291-W295 HydrophobicContact CG2-CG 4.49Å; I291-W295 HydrophobicContact CG2-CH2 3.85Å; I291-W295 HydrophobicContact CG2-CZ2 4.35Å; I291-W295 HydrophobicContact CG2-CZ3 3.28Å; I291-W295 WeakPolarHBondContact O-CB 3.42Å; I291-W295 PolarHBondContact O-N 3.14Å
296E89Confident85.7Confident2 Ų232 Ų321%0.00917%0.165CC..Iπ-helixtrans-135.7-50.2-174.8-56.3-153.6-170.900115.6W75 R79 Q112 R245 S272 L292 T300W75-E296 HydrophobicContact CH2-CB 4.31Å; W75-E296 WeakPolarHBondContact CH2-O 3.47Å; W75-E296 HydrophobicContact CZ2-CB 3.8Å; R79-E296 IonicContact CZ-OE1 3.79Å; R79-E296 IonicContact CZ-OE2 2.83Å; R79-E296 VanDerWaalsContact CZ-OE2 3.27Å; R79-E296 IonicContact NE-OE2 3.86Å; R79-E296 PolarHBondContact NE-OE2 3.16Å; R79-E296 IonicContact NH2-OE1 3.55Å; R79-E296 PolarHBondContact NH2-OE1 2.87Å; R79-E296 IonicContact NH2-OE2 3.33Å; R79-E296 PolarHBondContact NH2-OE2 2.91Å; Q112-E296 VanDerWaalsContact NE2-CD 3.28Å; Q112-E296 PolarHBondContact NE2-OE2 2.98Å; R245-E296 IonicContact NH1-OE1 3.27Å; R245-E296 IonicContact NH2-OE1 2.9Å; S272-E296 WeakPolarHBondContact CB-OE1 3.34Å; S272-E296 PolarHBondContact OG-OE1 2.66Å; S272-E296 VanDerWaalsContact OG-OE1 3.12Å; L292-E296 HydrophobicContact CD2-CG 4.31Å; L292-E296 WeakPolarHBondContact O-CA 3.38Å; L292-E296 VanDerWaalsContact O-CB 3.29Å; L292-E296 WeakPolarHBondContact O-CB 3.41Å; L292-E296 PolarHBondContact O-N 3.41Å; E296-T300 WeakPolarHBondContact O-CB 3.43Å; E296-T300 PolarHBondContact O-N 2.86Å; E296-T300 PolarHBondContact O-OG1 2.88Å
297L88.4Confident86.1Confident10 Ų1030 Ų305%0.05215%0.154CC..Iπ-helixtrans-72.8-42.3-179.8-17857.3000111.2L39 Y40 L43 L292 F293 S301L39-L297 HydrophobicContact CB-CD2 4Å; L39-L297 HydrophobicContact CD1-CD2 3.93Å; L39-L297 HydrophobicContact CG-CD2 4.48Å; Y40-L297 HydrophobicContact CD1-CD1 4.03Å; Y40-L297 HydrophobicContact CE1-CB 4.1Å; Y40-L297 HydrophobicContact CE1-CD1 3.82Å; Y40-L297 HydrophobicContact CE1-CD2 4.45Å; Y40-L297 HydrophobicContact CE1-CG 4.33Å; L43-L297 HydrophobicContact CD2-CD1 3.74Å; L292-L297 PolarHBondContact O-N 3.04Å; F293-L297 HydrophobicContact CD2-CD2 3.86Å; F293-L297 HydrophobicContact CE2-CD2 4.03Å; F293-L297 PolarHBondContact O-N 3.07Å; L297-S301 VanDerWaalsContact O-CB 3.26Å; L297-S301 WeakPolarHBondContact O-CB 3.42Å; L297-S301 PolarHBondContact O-N 3.35Å; L297-S301 PolarHBondContact O-OG 3.29Å
298L91.2Very high86.4Confident44 Ų4433.6 Ų33.623%0.2316%0.162CC..Hα-helixtrans-66.5-47.5-179.3-174.661.7000113.3L241 F293 F294 T300 S301 L302L241-L298 HydrophobicContact CD1-CB 4.18Å; L241-L298 HydrophobicContact CD1-CD2 3.72Å; L241-L298 HydrophobicContact CD1-CG 3.76Å; L241-L298 HydrophobicContact CD2-CD2 4.37Å; F293-L298 WeakPolarHBondContact O-CB 3.17Å; F293-L298 PolarHBondContact O-N 3.24Å; F294-L298 HydrophobicContact CD1-CD2 3.79Å; F294-L298 HydrophobicContact CE1-CD2 4.19Å; L298-T300 PolarHBondContact O-N 3.26Å; L298-S301 PolarHBondContact O-OG 3.48Å; L298-S301 VanDerWaalsContact O-OG 3.11Å; L298-L302 HydrophobicContact CD1-CD1 4.18Å; L298-L302 HydrophobicContact CD1-CG 4.3Å; L298-L302 HydrophobicContact CG-CD1 4.13Å; L298-L302 WeakPolarHBondContact O-CB 3.29Å; L298-L302 WeakPolarHBondContact O-CD1 3.3Å; L298-L302 WeakPolarHBondContact O-CG 3.49Å; L298-L302 PolarHBondContact O-N 2.93Å; L298-L302 VanDerWaalsContact O-N 3.07Å
299P90.1Very high86.3Confident0 Ų034 Ų340%017%0.165CC..Hα-helixtrans-61.9-42.9175.5-21.533.3000112.5L241 Y242 F294 V303L241-P299 HydrophobicContact CB-CG 3.86Å; L241-P299 HydrophobicContact CD1-CG 3.78Å; L241-P299 HydrophobicContact CG-CG 4.46Å; Y242-P299 HydrophobicContact CE2-CB 4.25Å; F294-P299 WeakPolarHBondContact O-CD 3.27Å; P299-V303 WeakPolarHBondContact O-CG2 3.4Å; P299-V303 PolarHBondContact O-N 3.23Å; P299-V303 VanDerWaalsContact O-N 3.1Å
300T90.6Very high85.8Confident5 Ų537.8 Ų37.83%0.03118%0.183CC..Hα-helixtrans-68.5-45.1-177.6-50.60000111.7L43 C72 W75 E296 L298 L302 V303 V304L43-T300 HydrophobicContact CD2-CG2 4.39Å; C72-T300 HydrophobicContact CB-CG2 4.18Å; W75-T300 HydrophobicContact CD2-CG2 4.34Å; W75-T300 HydrophobicContact CE3-CG2 3.6Å; W75-T300 HydrophobicContact CZ3-CG2 3.71Å; E296-T300 WeakPolarHBondContact O-CB 3.43Å; E296-T300 PolarHBondContact O-N 2.86Å; E296-T300 PolarHBondContact O-OG1 2.88Å; L298-T300 PolarHBondContact O-N 3.26Å; T300-L302 PolarHBondContact O-N 3.27Å; T300-V303 PolarHBondContact O-N 2.88Å; T300-V304 HydrophobicContact CG2-CG2 4.43Å; T300-V304 WeakPolarHBondContact O-CG2 3.41Å; T300-V304 PolarHBondContact O-N 3.2Å
301S89.9Confident84.6Confident35 Ų3543.6 Ų43.625%0.24520%0.199CC..Hα-helixtrans-63.5-39.6177.457.80000112.2L297 L298 V303 V304 V305L297-S301 VanDerWaalsContact O-CB 3.26Å; L297-S301 WeakPolarHBondContact O-CB 3.42Å; L297-S301 PolarHBondContact O-N 3.35Å; L297-S301 PolarHBondContact O-OG 3.29Å; L298-S301 PolarHBondContact O-OG 3.48Å; L298-S301 VanDerWaalsContact O-OG 3.11Å; S301-V303 PolarHBondContact O-N 2.94Å; S301-V304 PolarHBondContact O-N 3.24Å; S301-V305 WeakPolarHBondContact O-CB 3.15Å; S301-V305 VanDerWaalsContact O-CG2 3.31Å; S301-V305 WeakPolarHBondContact O-CG2 3.36Å; S301-V305 PolarHBondContact O-N 3.49Å
302L90.9Very high82.9Confident42 Ų4245.5 Ų45.522%0.2221%0.213CC..Hα-helixtrans-59.3-44.1172.6-75.7170000112.5V234 V237 V238 L241 L298 T300 V305 F306V234-L302 HydrophobicContact CG1-CB 4.26Å; V237-L302 HydrophobicContact CB-CD1 4.25Å; V237-L302 HydrophobicContact CG1-CD1 3.54Å; V238-L302 HydrophobicContact CG2-CB 4.27Å; V238-L302 HydrophobicContact CG2-CD1 4.43Å; L241-L302 HydrophobicContact CD1-CD1 4.46Å; L298-L302 HydrophobicContact CD1-CD1 4.18Å; L298-L302 HydrophobicContact CD1-CG 4.3Å; L298-L302 HydrophobicContact CG-CD1 4.13Å; L298-L302 WeakPolarHBondContact O-CB 3.29Å; L298-L302 WeakPolarHBondContact O-CD1 3.3Å; L298-L302 WeakPolarHBondContact O-CG 3.49Å; L298-L302 PolarHBondContact O-N 2.93Å; L298-L302 VanDerWaalsContact O-N 3.07Å; T300-L302 PolarHBondContact O-N 3.27Å; L302-V305 PolarHBondContact O-N 2.82Å; L302-F306 WeakPolarHBondContact O-CB 3.3Å; L302-F306 PolarHBondContact O-N 3.48Å
303V89.5Confident81Confident3 Ų351.5 Ų51.52%0.01824%0.241CC..Hα-helixtrans-64.9-43.1176.3170.20000111.5F68 T115 L119 V238 P299 T300 S301 V305 F306 F307F68-V303 HydrophobicContact CD1-CG1 4.33Å; T115-V303 HydrophobicContact CG2-CG1 3.94Å; T115-V303 HydrophobicContact CG2-CG2 4.45Å; L119-V303 HydrophobicContact CD2-CG2 4.49Å; V238-V303 HydrophobicContact CG2-CG2 4.24Å; P299-V303 WeakPolarHBondContact O-CG2 3.4Å; P299-V303 PolarHBondContact O-N 3.23Å; P299-V303 VanDerWaalsContact O-N 3.1Å; T300-V303 PolarHBondContact O-N 2.88Å; S301-V303 PolarHBondContact O-N 2.94Å; V303-V305 PolarHBondContact O-N 3.34Å; V303-F306 PolarHBondContact O-N 3Å; V303-F307 HydrophobicContact CG1-CD2 3.79Å; V303-F307 HydrophobicContact CG1-CE2 4.07Å; V303-F307 WeakPolarHBondContact O-CD2 3.38Å; V303-F307 PolarHBondContact O-N 3.26Å
304V90.1Very high78.9Confident1 Ų156.9 Ų56.91%0.00627%0.267CS..Hα-helixtrans-65.2-36.1177.1168.30000112.4L43 F46 V47 Q50 L69 C72 T300 S301 R308L43-V304 HydrophobicContact CD1-CB 4.36Å; L43-V304 HydrophobicContact CD1-CG1 4.14Å; L43-V304 HydrophobicContact CD1-CG2 4.37Å; F46-V304 HydrophobicContact CD1-CG1 3.78Å; F46-V304 HydrophobicContact CE1-CG1 3.8Å; V47-V304 HydrophobicContact CG2-CB 4.27Å; V47-V304 HydrophobicContact CG2-CG1 3.56Å; V47-V304 HydrophobicContact CG2-CG2 3.63Å; Q50-V304 PolarHBondContact NE2-O 2.93Å; L69-V304 HydrophobicContact CD2-CG1 4.34Å; L69-V304 HydrophobicContact CD2-CG2 4.47Å; C72-V304 HydrophobicContact CB-CG2 3.6Å; T300-V304 HydrophobicContact CG2-CG2 4.43Å; T300-V304 WeakPolarHBondContact O-CG2 3.41Å; T300-V304 PolarHBondContact O-N 3.2Å; S301-V304 PolarHBondContact O-N 3.24Å; V304-R308 PolarHBondContact O-N 3.43Å
305V87.1Confident76.5Confident68 Ų6857.4 Ų57.441%0.41228%0.275SS..Hα-helixtrans-73.4-36.2175.1170.20000111.4S301 L302 V303 R308S301-V305 WeakPolarHBondContact O-CB 3.15Å; S301-V305 VanDerWaalsContact O-CG2 3.31Å; S301-V305 WeakPolarHBondContact O-CG2 3.36Å; S301-V305 PolarHBondContact O-N 3.49Å; L302-V305 PolarHBondContact O-N 2.82Å; V303-V305 PolarHBondContact O-N 3.34Å; V305-R308 WeakPolarHBondContact O-CB 3.47Å; V305-R308 WeakPolarHBondContact O-CD 3.19Å; V305-R308 WeakPolarHBondContact O-CG 3.39Å; V305-R308 PolarHBondContact O-N 3.02Å
306F86.1Confident74.5Confident13 Ų1363 Ų636%0.05731%0.306CS..Hα-helixtrans-68-44.1176.5-179.4-103000112.6Y122 F123 T226 A231 V234 L302 V303 R308Y122-F306 HydrophobicContact CE1-CE1 4.19Å; F123-F306 HydrophobicContact CZ-CE1 4.27Å; F123-F306 HydrophobicContact CZ-CZ 4.16Å; T226-F306 HydrophobicContact CG2-CD2 4.43Å; T226-F306 HydrophobicContact CG2-CE2 3.93Å; T226-F306 HydrophobicContact CG2-CZ 4.29Å; A231-F306 HydrophobicContact CB-CE2 3.71Å; A231-F306 HydrophobicContact CB-CZ 3.92Å; V234-F306 HydrophobicContact CG1-CB 4.17Å; V234-F306 HydrophobicContact CG1-CG 4.45Å; L302-F306 WeakPolarHBondContact O-CB 3.3Å; L302-F306 PolarHBondContact O-N 3.48Å; V303-F306 PolarHBondContact O-N 3Å; F306-R308 PolarHBondContact O-N 2.97Å
307F82.9Confident71.8Confident12 Ų1266.2 Ų66.25%0.05333%0.333CS..THydrogen-bonded Turntrans-85.314.3176.1-70.2-63000114Q65 F68 L119 Y122 V303 V309Q65-F307 HydrophobicContact CG-CB 4.33Å; Q65-F307 WeakPolarHBondContact CG-O 3.47Å; Q65-F307 PolarHBondContact NE2-O 2.96Å; F68-F307 HydrophobicContact CB-CD2 4.13Å; F68-F307 HydrophobicContact CD1-CD2 4.27Å; F68-F307 AromaticContact CD1-CE2 3.99Å; F68-F307 HydrophobicContact CD1-CE2 3.99Å; F68-F307 HydrophobicContact CD2-CD1 4.04Å; F68-F307 AromaticContact CD2-CD2 3.61Å; F68-F307 HydrophobicContact CD2-CD2 3.61Å; F68-F307 AromaticContact CD2-CE1 3.88Å; F68-F307 HydrophobicContact CD2-CE1 3.88Å; F68-F307 AromaticContact CD2-CE2 3.41Å; F68-F307 HydrophobicContact CD2-CE2 3.41Å; F68-F307 VanDerWaalsContact CD2-CE2 3.41Å; F68-F307 AromaticContact CD2-CG 3.93Å; F68-F307 HydrophobicContact CD2-CG 3.93Å; F68-F307 AromaticContact CD2-CZ 3.58Å; F68-F307 HydrophobicContact CD2-CZ 3.58Å; F68-F307 AromaticContact CE1-CE2 3.87Å; F68-F307 HydrophobicContact CE1-CE2 3.87Å; F68-F307 HydrophobicContact CE1-CZ 4.37Å; F68-F307 HydrophobicContact CE2-CD1 4.32Å; F68-F307 HydrophobicContact CE2-CD2 4.03Å; F68-F307 AromaticContact CE2-CE1 3.69Å; F68-F307 HydrophobicContact CE2-CE1 3.69Å; F68-F307 AromaticContact CE2-CE2 3.33Å; F68-F307 HydrophobicContact CE2-CE2 3.33Å; F68-F307 HydrophobicContact CE2-CG 4.49Å; F68-F307 AromaticContact CE2-CZ 3.14Å; F68-F307 HydrophobicContact CE2-CZ 3.14Å; F68-F307 AromaticContact CG-CD2 3.77Å; F68-F307 HydrophobicContact CG-CD2 3.77Å; F68-F307 AromaticContact CG-CE2 3.78Å; F68-F307 HydrophobicContact CG-CE2 3.78Å; F68-F307 HydrophobicContact CG-CG 4.37Å; F68-F307 HydrophobicContact CG-CZ 4.39Å; F68-F307 HydrophobicContact CZ-CD2 4.49Å; F68-F307 AromaticContact CZ-CE2 3.56Å; F68-F307 HydrophobicContact CZ-CE2 3.56Å; F68-F307 AromaticContact CZ-CZ 3.6Å; F68-F307 HydrophobicContact CZ-CZ 3.6Å; L119-F307 HydrophobicContact CD1-CE2 3.87Å; L119-F307 HydrophobicContact CD1-CZ 4Å; Y122-F307 HydrophobicContact CD1-CE1 4.28Å; Y122-F307 HydrophobicContact CD1-CZ 4.02Å; Y122-F307 HydrophobicContact CD2-CE1 4.08Å; Y122-F307 HydrophobicContact CD2-CZ 4.37Å; Y122-F307 HydrophobicContact CE1-CE1 4.11Å; Y122-F307 HydrophobicContact CE1-CZ 4.21Å; Y122-F307 AromaticContact CE2-CE1 3.88Å; Y122-F307 HydrophobicContact CE2-CE1 3.88Å; Y122-F307 HydrophobicContact CG-CE1 4.28Å; Y122-F307 HydrophobicContact CG-CZ 4.12Å; Y122-F307 AromaticContact CZ-CE1 3.9Å; V303-F307 HydrophobicContact CG1-CD2 3.79Å; V303-F307 HydrophobicContact CG1-CE2 4.07Å; V303-F307 WeakPolarHBondContact O-CD2 3.38Å; V303-F307 PolarHBondContact O-N 3.26Å; F307-V309 PolarHBondContact O-N 3.17Å
308R83.6Confident69.7Low131 Ų13172.4 Ų72.449%0.49437%0.374SS..  trans-57.6139.9-176.276.2-175-178.5158.11112.5Q50 V304 V305 F306 Q310Q50-R308 VanDerWaalsContact OE1-CA 3.3Å; V304-R308 PolarHBondContact O-N 3.43Å; V305-R308 WeakPolarHBondContact O-CB 3.47Å; V305-R308 WeakPolarHBondContact O-CD 3.19Å; V305-R308 WeakPolarHBondContact O-CG 3.39Å; V305-R308 PolarHBondContact O-N 3.02Å; F306-R308 PolarHBondContact O-N 2.97Å; R308-Q310 VanDerWaalsContact C-N 3.34Å; R308-Q310 HydrophobicContact CG-CG 4.39Å; R308-Q310 PolarHBondContact O-N 2.85Å
309V74.3Confident67.4Low23 Ų2373.7 Ų73.714%0.13940%0.397CS..  trans-68.893.4173.3-173.60000109Q50 L53 I54 Y57 L69 F307Q50-V309 HydrophobicContact CB-CG2 4.01Å; Q50-V309 HydrophobicContact CG-CG2 4.45Å; L53-V309 HydrophobicContact CB-CG1 4.14Å; I54-V309 HydrophobicContact CD1-CG2 3.9Å; I54-V309 HydrophobicContact CG1-CG2 3.54Å; Y57-V309 HydrophobicContact CD2-CG1 4.41Å; L69-V309 HydrophobicContact CD1-CG2 4.4Å; F307-V309 PolarHBondContact O-N 3.17Å
310Q67.6Low64.8Low83 Ų8376.8 Ų76.839%0.38843%0.43SS..PPolyproline II helixtrans-64.6137.1164.5-54.8-172.220.900107.6G225 R308G225-Q310 PolarHBondContact O-NE2 3.14Å; R308-Q310 VanDerWaalsContact C-N 3.34Å; R308-Q310 HydrophobicContact CG-CG 4.39Å; R308-Q310 PolarHBondContact O-N 2.85Å
311R55.8Low62.5Low205 Ų20585.7 Ų85.777%0.77447%0.473SS*.PPolyproline II helixtrans-55.4137.2173.3-71.6-178.8178.3172.6-0.1108.4H313R311-H313 PolarHBondContact O-N 3.31Å; R311-H313 VanDerWaalsContact O-N 3.1Å
312P48.4Very low60Low70 Ų7089.7 Ų89.746%0.45549%0.491SS..PPolyproline II helixtrans-55.8122.3174.223.3-32.6000108.9Q314P312-Q314 PolarHBondContact O-N 3.03Å; P312-Q314 VanDerWaalsContact O-N 3.08Å
313H42.6Very low57.7Low130 Ų13094.5 Ų94.560%0.60252%0.517SS*.  trans-59.5115.2-178.1-112.5-137.1000109.2R311 N315 L316R311-H313 PolarHBondContact O-N 3.31Å; R311-H313 VanDerWaalsContact O-N 3.1Å; H313-N315 PolarHBondContact O-N 3.19Å; H313-L316 HydrophobicContact CB-CD1 4.44Å; H313-L316 PolarHBondContact O-N 2.96Å; H313-L316 VanDerWaalsContact O-N 3.08Å
314Q41.9Very low55.3Low187 Ų18798.4 Ų98.487%0.87454%0.544SS*.THydrogen-bonded Turntrans-62.7-11.8175.8-66.7175.3-79.600112.4P312 L316P312-Q314 PolarHBondContact O-N 3.03Å; P312-Q314 VanDerWaalsContact O-N 3.08Å; Q314-L316 VanDerWaalsContact C-N 3.27Å; Q314-L316 PolarHBondContact O-N 3.32Å
315N39.3Very low53.1Low111 Ų111107.2 Ų107.259%0.59459%0.585SS**THydrogen-bonded Turntrans-81.68.2174.3-57.2-47.4000114.4H313 I322H313-N315 PolarHBondContact O-N 3.19Å; N315-I322 HydrophobicContact CB-CD1 4.45Å
316L46.3Very low51.2Low148 Ų148108.1 Ų108.178%0.77559%0.594SS**  trans-115.951.4172.9-80.2163.5000111.1H313 Q314H313-L316 HydrophobicContact CB-CD1 4.44Å; H313-L316 PolarHBondContact O-N 2.96Å; H313-L316 VanDerWaalsContact O-N 3.08Å; Q314-L316 VanDerWaalsContact C-N 3.27Å; Q314-L316 PolarHBondContact O-N 3.32Å
317A32Very low49.1Very low69 Ų69117.5 Ų117.557%0.5764%0.635SS**  trans-65.8129.1165.400000109.9G319A317-G319 PolarHBondContact O-N 3.21Å
318P43.2Very low46.9Very low140 Ų140122.2 Ų122.291%0.90967%0.67SS**SBendtrans-76.287.8177.330.8-33.6000110.4
319G43Very low44.9Very low71 Ų71122.3 Ų122.373%0.73269%0.69SS**SBendtrans103.7114.7-177.300000111.8A317A317-G319 PolarHBondContact O-N 3.21Å
320G35.8Very low43.8Very low66 Ų66130 Ų13068%0.6872%0.717SS**  trans150.2116.9-179.100000111.4I322G320-I322 PolarHBondContact O-N 3.23Å; G320-I322 VanDerWaalsContact O-N 3.17Å
321M42.6Very low42.9Very low192 Ų192130.4 Ų130.495%0.94674%0.735SS**  trans-67.7107.6175.7-70.3147.350.600110.3
322I37.8Very low42.8Very low118 Ų118127.9 Ų127.961%0.60573%0.727SS**  trans-94.595.2164.452.9172.1000109.6N315 G320 S324N315-I322 HydrophobicContact CB-CD1 4.45Å; G320-I322 PolarHBondContact O-N 3.23Å; G320-I322 VanDerWaalsContact O-N 3.17Å; I322-S324 PolarHBondContact O-N 3.34Å
323N42.6Very low43.1Very low143 Ų143131.2 Ų131.277%0.76573%0.734SS**  trans-71.4107172.9178.97.6000109.6
324S39.2Very low43.8Very low86 Ų86133.8 Ų133.860%0.60174%0.744SS**  trans-141.178.3178.7470000111.8I322 S326I322-S324 PolarHBondContact O-N 3.34Å; S324-S326 PolarHBondContact O-N 3.03Å
325H43.9Very low44.4Very low185 Ų185130.4 Ų130.486%0.85673%0.732SS**  trans-64.674165.6-85.1-94.4000111.7
326S47Very low45.3Very low87 Ų87130 Ų13061%0.60873%0.729SS**  trans-146.3105.1177.6-74.20000111.1S324S324-S326 PolarHBondContact O-N 3.03Å
327F41.9Very low46Very low210 Ų210128.9 Ų128.992%0.92173%0.731SS**SBendtrans68.661.4163.5-48.8-72.1000119.3
328S35.2Very low47.2Very low112 Ų112134 Ų13478%0.78374%0.736SS**  trans-157.7126.2135.3-166.90000111.9R330S328-R330 PolarHBondContact O-N 3.09Å
329S42.2Very low47.9Very low132 Ų132133.4 Ų133.492%0.92372%0.716SS**SBendtrans-83.546.7-17450.30000113.8
330R50.8Low48.5Very low184 Ų184140.5 Ų140.569%0.69472%0.722SS**  trans-142.257.3177.9-152.8174.3-161.2147.65.6113S328 Y332S328-R330 PolarHBondContact O-N 3.09Å; R330-Y332 WeakPolarHBondContact O-CD2 3.33Å; R330-Y332 PolarHBondContact O-N 2.9Å
331A49Very low49.6Very low93 Ų93142.8 Ų142.877%0.76972%0.718SS**  trans-56.6122.1162.300000108.8
332Y54.9Low50.1Low152 Ų152137 Ų13760%0.59670%0.697SS**  trans-76.2152.2176.7-71.2-93000109.6R330 F334 D335R330-Y332 WeakPolarHBondContact O-CD2 3.33Å; R330-Y332 PolarHBondContact O-N 2.9Å; Y332-F334 PolarHBondContact O-N 3.02Å; Y332-D335 WeakPolarHBondContact CB-OD2 3.46Å; Y332-D335 PolarHBondContact N-OD2 3.39Å; Y332-D335 PolarHBondContact O-N 3.06Å
333F54.8Low50.7Low139 Ų139139.3 Ų139.361%0.6171%0.71SS**THydrogen-bonded Turntrans-55.9-19.7-168.8-168.5-86.9000114.7R339F333-R339 VanDerWaalsContact CZ-NH1 3.26Å; F333-R339 PolarHBondContact O-NH1 3.39Å
334F56.9Low51.1Low185 Ų185139.6 Ų139.681%0.81171%0.712SS**THydrogen-bonded Turntrans-105.1-7.6-175.9-60.7-81.5000114.7Y332 N336Y332-F334 PolarHBondContact O-N 3.02Å; F334-N336 VanDerWaalsContact C-N 3.3Å; F334-N336 PolarHBondContact O-N 3.23Å
335D55.1Low51.4Low116 Ų116142.1 Ų142.162%0.6272%0.718SS**SBendtrans-79.6-4.1-173.5-71.8-36.7000114.4Y332 P337Y332-D335 WeakPolarHBondContact CB-OD2 3.46Å; Y332-D335 PolarHBondContact N-OD2 3.39Å; Y332-D335 PolarHBondContact O-N 3.06Å; D335-P337 VanDerWaalsContact O-CD 3.3Å; D335-P337 WeakPolarHBondContact O-CD 3.47Å
336N56.9Low51.6Low101 Ų101141.8 Ų141.854%0.5472%0.722SS.*  trans-10995.7-178.4-170.8-2.6000111.7F334 R338 R339F334-N336 VanDerWaalsContact C-N 3.3Å; F334-N336 PolarHBondContact O-N 3.23Å; N336-R338 PolarHBondContact O-N 2.83Å; N336-R338 PolarHBondContact OD1-N 3.19Å; N336-R339 WeakPolarHBondContact O-CB 3.38Å; N336-R339 PolarHBondContact O-N 3.24Å
337P61.3Low51.2Low126 Ų126142.2 Ų142.282%0.81873%0.725SS**THydrogen-bonded Turntrans-69.2-13.3-175.528-35.5000114.2D335D335-P337 VanDerWaalsContact O-CD 3.3Å; D335-P337 WeakPolarHBondContact O-CD 3.47Å
338R56.8Low51.5Low177 Ų177142.7 Ų142.767%0.66872%0.721SS**THydrogen-bonded Turntrans-91.111.7176.8-78.2-155164104.43.7115N336 Y340 D341N336-R338 PolarHBondContact O-N 2.83Å; N336-R338 PolarHBondContact OD1-N 3.19Å; R338-Y340 PolarHBondContact O-N 2.96Å; R338-Y340 VanDerWaalsContact O-N 3.14Å; R338-D341 HydrophobicContact CB-CB 3.9Å; R338-D341 WeakPolarHBondContact CD-OD2 3.29Å; R338-D341 HydrophobicContact CG-CB 4.04Å; R338-D341 WeakPolarHBondContact CG-OD2 3.25Å; R338-D341 IonicContact CZ-OD2 4Å; R338-D341 IonicContact NE-OD2 2.8Å; R338-D341 PolarHBondContact NE-OD2 3.14Å; R338-D341 VanDerWaalsContact O-CB 3.25Å; R338-D341 WeakPolarHBondContact O-CB 3.38Å; R338-D341 PolarHBondContact O-N 3.28Å
339R58.6Low51.5Low127 Ų127142.3 Ų142.348%0.47972%0.718SS.*THydrogen-bonded Turntrans-67.9-12.7-176.8-164.5168.9-173.3-177.2-0.7115.1F333 N336F333-R339 VanDerWaalsContact CZ-NH1 3.26Å; F333-R339 PolarHBondContact O-NH1 3.39Å; N336-R339 WeakPolarHBondContact O-CB 3.38Å; N336-R339 PolarHBondContact O-N 3.24Å
340Y54.7Low51.5Low220 Ų220141.6 Ų141.686%0.86370%0.703SS**THydrogen-bonded Turntrans-112.712.7173.5-60.7-77.9000112.3R338 S342R338-Y340 PolarHBondContact O-N 2.96Å; R338-Y340 VanDerWaalsContact O-N 3.14Å; Y340-S342 VanDerWaalsContact C-N 3.33Å
341D60.3Low50.7Low114 Ų114140.4 Ų140.461%0.6171%0.71SS**SBendtrans-99.624.8-174.4-138.827.1000110.6R338R338-D341 HydrophobicContact CB-CB 3.9Å; R338-D341 WeakPolarHBondContact CD-OD2 3.29Å; R338-D341 HydrophobicContact CG-CB 4.04Å; R338-D341 WeakPolarHBondContact CG-OD2 3.25Å; R338-D341 IonicContact CZ-OD2 4Å; R338-D341 IonicContact NE-OD2 2.8Å; R338-D341 PolarHBondContact NE-OD2 3.14Å; R338-D341 VanDerWaalsContact O-CB 3.25Å; R338-D341 WeakPolarHBondContact O-CB 3.38Å; R338-D341 PolarHBondContact O-N 3.28Å
342S53.1Low49.9Very low70 Ų70141.2 Ų141.249%0.4971%0.71SS.*  trans-139.2100.1-175.360.20000111.1Y340 D344Y340-S342 VanDerWaalsContact C-N 3.33Å; S342-D344 PolarHBondContact O-N 2.96Å
343D50.3Low49.2Very low167 Ų167145.5 Ų145.589%0.89373%0.725SS**  trans-76.142174.3-67-55.4000112.5D345D343-D345 PolarHBondContact O-N 3.22Å
344D50.8Low48.1Very low149 Ų149143.8 Ų143.880%0.79773%0.731SS**  trans-78.483.9-177.7-84-57.1000112.1S342S342-D344 PolarHBondContact O-N 2.96Å
345D45.2Very low46.9Very low138 Ų138142.4 Ų142.474%0.73873%0.732SS**  trans13.8123.5158.6-90.6-44000120.8D343 S347D343-D345 PolarHBondContact O-N 3.22Å; D345-S347 PolarHBondContact O-N 2.89Å; D345-S347 PolarHBondContact O-OG 3.19Å
346L48.4Very low46Very low178 Ų178148 Ų14893%0.93274%0.744SS**  trans-71.753.7163.4-103.1162.1000112.7R348L346-R348 VanDerWaalsContact C-N 3.32Å; L346-R348 PolarHBondContact O-N 2.68Å
347S38.7Very low44.7Very low97 Ų97148 Ų14868%0.67876%0.759SS**  trans-77.568.7-175.152.50000114D345 S349D345-S347 PolarHBondContact O-N 2.89Å; D345-S347 PolarHBondContact O-OG 3.19Å; S347-S349 PolarHBondContact O-N 2.79Å
348R47.6Very low43.3Very low219 Ų219146.9 Ų146.983%0.82675%0.754SS**  trans-68.792.4-179.6-171-168-168.2-165.96113.5L346 I350L346-R348 VanDerWaalsContact C-N 3.32Å; L346-R348 PolarHBondContact O-N 2.68Å; R348-I350 HydrophobicContact CG-CD1 4.4Å
349S35.2Very low42Very low104 Ų104145.6 Ų145.673%0.72776%0.759SS**  trans-122.5130.7159.554.50000108.5S347S347-S349 PolarHBondContact O-N 2.79Å
350I42.8Very low40.7Very low118 Ų118146.8 Ų146.861%0.60577%0.774SS**  cis72.5116.425.6-49.8-178.4000112.6R348R348-I350 HydrophobicContact CG-CD1 4.4Å
351N32.9Very low39.4Very low158 Ų158141.2 Ų141.285%0.84577%0.768SS**  trans72.3138.1-170.8-58.7-18.6000114
352S32.5Very low38Very low110 Ų110141.4 Ų141.477%0.76977%0.773SS**  cis-149.4167.4-1.151.10000112.7
353R39.4Very low37.1Very low242 Ų242144.4 Ų144.491%0.91379%0.788SS**  trans-74170.4165.9-79.9173.1158.9174.5-7.4110.5
354S31.7Very low36.7Very low103 Ų103142.2 Ų142.272%0.7278%0.784SS**  trans92.3137-172.475.80000113
355D32.1Very low35.7Very low157 Ų157144.4 Ų144.484%0.8479%0.789SS**  cis-148.8-176.5-6.4-130.6-47.1000114.2
356R36.9Very low35Very low233 Ų233147 Ų14788%0.87980%0.799SS**  trans-89.3149-176.2-88.7177.4158.9176.9-6.1115.1
357A28.9Very low34Very low102 Ų102142.4 Ų142.484%0.84379%0.786SS**  trans70.4163.3161.600000115.6
358S31.7Very low33.7Very low102 Ų102144.4 Ų144.471%0.71380%0.795SS**  cis-153.8150.7964.20000114
359L30.7Very low33.1Very low149 Ų149139.2 Ų139.278%0.7879%0.792SS**  trans45.1128.4143.6-59.5172.7000123.6
360L30.5Very low32.7Very low152 Ų152139.9 Ų139.980%0.79680%0.797SS**  trans55.8118.4138.8-71.1161.6000121.5
361S28.7Very low32.1Very low104 Ų104145.8 Ų145.873%0.72781%0.812SS**  169.9155.995.4480000116
362T29.9Very low31.9Very low118 Ų118149.1 Ų149.172%0.72481%0.814SS**  trans49.6104.115446.80000123.3
363T34.3Very low32Very low132 Ų132146.8 Ų146.881%0.8181%0.808SS**  42.3152.2115.843.40000123.7
364P42.6Very low31.8Very low122 Ų122141 Ų14179%0.79280%0.804SS**  trans-96.2168.2-157.139.3-38.6000116.2
365Q29.8Very low32Very low194 Ų194143.6 Ų143.691%0.90781%0.808SS**  trans-131.1148.2162.1-78.1-166.5-25.600112.7
366M29.8Very low32Very low193 Ų193145.7 Ų145.795%0.95181%0.813SS**  trans-104.3130.4165.7-68.5167.856.600109.2
367A28.4Very low31.8Very low81 Ų81145.5 Ų145.567%0.66981%0.812SS**  trans-153.898.6165.900000108.2
368T30.6Very low31.9Very low139 Ų139148.9 Ų148.985%0.85382%0.816SS**  67.1125.110456.90000116
369S35Very low31.9Very low111 Ų111146.9 Ų146.978%0.77681%0.812SS**  trans-60.3149.7174.552.30000114.4
370S27.6Very low31.9Very low118 Ų118145.1 Ų145.183%0.82581%0.812SS**  trans-134.3135.7156.3-171.60000110.3
371W30.8Very low32.1Very low241 Ų241146.1 Ų146.191%0.91382%0.817SS**  trans-117.6110.7174.6-89.466.1000108.2
372Y28.6Very low32.2Very low229 Ų229145.2 Ų145.290%0.89882%0.816SS**  trans-166.1149160.2-126.2-99.2000107.9
373G34Very low32.8Very low61 Ų61145.9 Ų145.963%0.62982%0.822SS**  cis132.651.4-2.200000113.8
374S34.8Very low32.6Very low120 Ų120143 Ų14384%0.83982%0.819SS**  trans-135.1125.817959.60000113.1
375I37.4Very low32.1Very low157 Ų157144 Ų14481%0.80582%0.822SS**  trans-92.3143.5169.3-63.1168.2000108.2R377I375-R377 HydrophobicContact CG2-CB 4.46Å
376Q30.8Very low32Very low202 Ų202139.2 Ų139.294%0.94482%0.816SS**  trans-131.7138.9150.7-109.1-178.2-1.800111.4
377R32.9Very low32Very low229 Ų229136.1 Ų136.186%0.86481%0.813SS**  trans-142118.1-172173.4-169.8-178.5-170.92107.9I375I375-R377 HydrophobicContact CG2-CB 4.46Å
378N30.8Very low32.2Very low173 Ų173136 Ų13693%0.92581%0.813SS**  trans-158.8149.8164.4-94.5-21.6000107.4
379G31.4Very low32.3Very low60 Ų60138.7 Ų138.762%0.61982%0.815SS**  cis173.4109.1-6.600000111.1
380S31.6Very low32.3Very low111 Ų111142.1 Ų142.178%0.77682%0.819SS**  trans28126.8156.158.60000120.7
381L34.1Very low33.1Very low173 Ų173142.4 Ų142.491%0.90682%0.818SS**  179.1153.7108.9-94.1160.1000113.4
382A31.4Very low33.7Very low86 Ų86136.3 Ų136.371%0.71181%0.81SS**  trans-152.6169.8169.300000106.6
383P42Very low34.1Very low132 Ų132131.6 Ų131.686%0.85781%0.807SS**  cis-129.4-179.17.442.3-26.8000114.7
384G30.3Very low34.1Very low71 Ų71134.6 Ų134.673%0.73282%0.818SS**  trans169.877169.500000119.6
385V31.2Very low34.3Very low142 Ų142135.2 Ų135.286%0.86182%0.817SS**  trans39.9114.7144.6-172.40000121.6
386A28.8Very low34.4Very low95 Ų95131.9 Ų131.979%0.78581%0.813SS**  trans58.1118.1144.700000123.1
387S30.2Very low35.2Very low127 Ų127128.1 Ų128.189%0.88881%0.806SS**  -161.3174.4111.2-161.20000111.3
388A31.6Very low35.2Very low80 Ų80124.4 Ų124.466%0.66180%0.803SS**  trans-77148.1-167.300000115.7
389Q33.4Very low35.2Very low194 Ų194124.4 Ų124.491%0.90780%0.802SS**  -175.8150.8108.3-98168-70.300112.5
390Q34.4Very low35.3Very low184 Ų184130.1 Ų130.186%0.8681%0.81SS**  trans-87.4161.3169.9-60.4172.8-84.200110.1
391P43.7Very low35.3Very low123 Ų123129.8 Ų129.880%0.79981%0.814SS**  -138.4-159.19847.5-34.7000110.7
392P45.1Very low35.1Very low114 Ų114130.7 Ų130.774%0.7481%0.813SS**  trans-107.5162.4-134.814.111.4000115.1
393P36Very low35Very low129 Ų129129.6 Ų129.684%0.83881%0.811SS**  trans-77147.5171.433.1-34.5000111.9
394S34Very low34.5Very low124 Ų124131 Ų13187%0.86781%0.811SS**  trans-125.5142.2165-167.90000110.1
395T38.6Very low34.7Very low134 Ų134134.3 Ų134.382%0.82281%0.811SS**PPolyproline II helixtrans-82.9129.2-157.1-53.10000113.7
396A40.9Very low34.8Very low87 Ų87136.1 Ų136.172%0.71981%0.81SS**PPolyproline II helixtrans-93.6128.4163.100000110.4
397P46.3Very low34.8Very low122 Ų122136.9 Ų136.979%0.79281%0.809SS**PPolyproline II helixtrans-81.8116.6174.531-31.6000111.2
398L33.3Very low35Very low151 Ų151138.8 Ų138.879%0.79180%0.804SS**PPolyproline II helixtrans-72.9128.8165-69.2167.2000109.5
399L30.1Very low34.9Very low173 Ų173143.8 Ų143.891%0.90681%0.813SS**  trans-109123.4162-86.4171.6000109.4
400F33.8Very low34.9Very low181 Ų181141.9 Ų141.979%0.79480%0.804SS**  trans-76.5143.9-175.4-80.4-104.3000112
401A32.5Very low34.8Very low104 Ų104139.7 Ų139.786%0.8679%0.793SS**  trans-102.998.1174.800000111.1
402Q29.9Very low34.3Very low191 Ų191142.2 Ų142.289%0.89379%0.794SS**  trans-162.6143.8171.5-133.7163.4-18.300109.4
403G29.8Very low33.8Very low64 Ų64142.5 Ų142.566%0.6679%0.785SS**  cis172.5104.3-10.600000114
404N31.1Very low33.5Very low160 Ų160144 Ų14486%0.85679%0.786SS**  trans72.7178.4161.8-155.112.9000118.6
405I33.7Very low33.4Very low142 Ų142145.7 Ų145.773%0.72878%0.775SS**  trans91.168.7171.6-44.3178000117
406Q34.4Very low33Very low179 Ų179149.9 Ų149.984%0.83678%0.777SS**  9.1120121.4-177.7-179.29.700119.1
407S28.9Very low32.5Very low112 Ų112149.9 Ų149.978%0.78377%0.772SS**  trans-170.1155.4138.542.60000113.1
408H33.9Very low32Very low166 Ų166150.6 Ų150.677%0.76977%0.774SS**  trans-75.4159.9170.4-80.1-115.1000111.5
409H29.9Very low32.4Very low185 Ų185149.5 Ų149.586%0.85678%0.776SS**  trans-149.3153.2138.4-112.469.2000112.8
410H32.7Very low32.6Very low154 Ų154150.2 Ų150.271%0.71378%0.775SS**  trans-123.3-176.3174.4-97.8-61.1000109.4
411H33.3Very low32.5Very low138 Ų138147.9 Ų147.964%0.63977%0.771SS**  trans78.9153.7-178.5-45.4-52.9000114.3H413H411-H413 AromaticContact ND1-CD2 3.77Å
412H33.2Very low32.3Very low176 Ų176150 Ų15082%0.81577%0.768SS**  cis-117.6148.57.6-65-102.7000110.6
413H32.7Very low32.4Very low120 Ų120147.4 Ų147.456%0.55676%0.76SS**  69.1119.254.6-88.3-71.6000116H411 Y415H411-H413 AromaticContact ND1-CD2 3.77Å; H413-Y415 PolarHBondContact CE1-OH 3.43Å; H413-Y415 AromaticContact ND1-CE2 3.56Å; H413-Y415 AromaticContact ND1-CZ 3.81Å
414N31.4Very low32.4Very low161 Ų161154.7 Ų154.786%0.86177%0.769SS**  trans-154.4157.6150.7-129.4-14.3000111.2
415Y30.7Very low32.3Very low160 Ų160154.3 Ų154.363%0.62776%0.762SS**  trans-120.4-179.7-174.9-68.2-97.3000109.5H413H413-Y415 PolarHBondContact CE1-OH 3.43Å; H413-Y415 AromaticContact ND1-CE2 3.56Å; H413-Y415 AromaticContact ND1-CZ 3.81Å
416Y30.5Very low32.1Very low221 Ų221154.8 Ų154.887%0.86776%0.761SS**  cis-133.9-148.619.5-125-86.8000112.6
417S31.2Very low31.9Very low88 Ų88153 Ų15362%0.61575%0.752SS**  trans-140169-134.1-52.10000117.2
418T36.1Very low31.9Very low136 Ų136155.2 Ų155.283%0.83475%0.75SS**  trans-66.1154.3177.950.10000114.9
419P40.1Very low31.7Very low128 Ų128155.2 Ų155.283%0.83175%0.75SS**  trans-121.6167.8147.237.5-27.7000113.4
420Q34.4Very low31.7Very low189 Ų189150.3 Ų150.388%0.88374%0.737SS**  trans-107.5144.8-178.5-70.4172-99.400113.5
421N31.4Very low31.7Very low132 Ų132149.5 Ų149.571%0.70674%0.738SS**  trans29.6123.1139.7-175.462.3000121.2
422N28.7Very low31.6Very low148 Ų148153.5 Ų153.579%0.79175%0.749SS**  -161.5162.8127.5-115.5-21.2000114.2
423N31.7Very low31.5Very low136 Ų136156.3 Ų156.373%0.72775%0.754SS**  trans-72.3155-179.6-81.6-36.3000114.3
424Y29.7Very low31.5Very low218 Ų218156 Ų15686%0.85577%0.765SS**  -170.1171.6113.5-102.8-67.9000112
425Q29.7Very low31.8Very low151 Ų151154.3 Ų154.371%0.70676%0.761SS**  trans-91.8149.1-168-58.3142.7-93.600113.5
426H30Very low32.3Very low152 Ų152152.7 Ų152.770%0.70477%0.77SS**  -178.3148.9107.5-106.8-86.4000115.6
427H29.5Very low32.4Very low142 Ų142149.3 Ų149.366%0.65776%0.762SS**  trans24.8133.6156.1-65.5-24.1000125.1
428Q28.6Very low32.4Very low159 Ų159153 Ų15374%0.74378%0.775SS**  trans58.3142.2131.5-58.9179.47.100119
429H29.7Very low32.1Very low165 Ų165155.6 Ų155.676%0.76477%0.771SS**  cis-152.5-165.637.3-144.788.6000112.8
430S30.7Very low31.7Very low83 Ų83160.6 Ų160.658%0.5878%0.775SS**  trans-87.6163.6-160.2-44.50000118.2
431N31.5Very low31.6Very low137 Ų137157.7 Ų157.773%0.73377%0.774SS**  trans59.9119.3150.4-61.3-11.9000120.1
432Y31.8Very low31.5Very low221 Ų221154.7 Ų154.787%0.86777%0.774SS**  -176.5133.599.9-99.1-73000109.6
433Y31.9Very low31.6Very low236 Ų236153.6 Ų153.693%0.92578%0.778SS**  trans-124.7124.8171.4-104.3-79.4000109.6
434S31.3Very low31.7Very low113 Ų113155.6 Ų155.679%0.7978%0.783SS**  trans-118.9140.6172.1-64.10000109.5
435T39.1Very low31.9Very low126 Ų126151.1 Ų151.177%0.77378%0.779SS**  trans-76.3170.2174.451.60000111.2
436P40.1Very low32.2Very low126 Ų126154.4 Ų154.482%0.81879%0.786SS**  -135.9145.6100.735.1-24.3000114.1
437Q33.8Very low32.4Very low150 Ų150156.5 Ų156.570%0.70179%0.793SS**  trans-75.4161.3160.1-65.3171.2-44.400109.8
438N30Very low32.6Very low165 Ų165156 Ų15688%0.88281%0.805SS**  trans-144.3153.2155.2-130.7-43.1000111.7
439Y31.4Very low32.8Very low191 Ų191154.5 Ų154.575%0.74981%0.806SS**  trans-96154.1-151.1-91.2-108.3000115.6
440Y31.1Very low33.5Very low232 Ų232152.7 Ų152.791%0.9181%0.809SS**  trans-65.5148.2157.1-92.8-103.6000110.6
441C31.3Very low34.1Very low129 Ų129157.4 Ų157.487%0.87282%0.822SS**  trans-130.5127.3161.9-164.50000109.4
442G30.4Very low34.7Very low69 Ų69161.6 Ų161.671%0.71185%0.845SS**  trans-104.2149.1179.600000111.7
443S30.8Very low34.8Very low125 Ų125158.6 Ų158.687%0.87484%0.843SS**  trans-78.2128.3-18054.40000112.7
444Q32.4Very low34.9Very low177 Ų177154.5 Ų154.583%0.82784%0.839SS**  trans-125.2149.4159.2-78.9-166.5-12.400111.4
445T35.9Very low35.2Very low125 Ų125156.8 Ų156.877%0.76784%0.842SS**  trans-93138.2-175.346.40000112.4
446Y34.3Very low34.9Very low219 Ų219158.6 Ų158.686%0.85985%0.846SS**  trans-140.7145.8153.7-82.4-72.5000111.9
447F34.4Very low34.6Very low196 Ų196160.7 Ų160.786%0.8685%0.848SS**  trans-83.6148170.7-86.2-111.9000110.2
448C33.8Very low34.6Very low133 Ų133161.4 Ų161.490%0.89986%0.857SS**  trans-134.4134.1154.3-80.30000109.9
449T34.2Very low35Very low126 Ų126161.1 Ų161.177%0.77386%0.856SS**  trans-89.8155.3173.342.40000111.6
450P44.2Very low35.3Very low127 Ų127158.8 Ų158.883%0.82586%0.864SS**  trans-80.7131176.332.1-33.5000112.7
451Q42.9Very low35.6Very low182 Ų182152.8 Ų152.885%0.8586%0.86SS**  trans-137.2142.7149.2-72.9-178.6-36.700105.5
452N42.6Very low36Very low225 Ų225154.9 Ų154.9100%1.20386%0.859SS**  cis-141.705.1-151.641.3000109.3

Retrieved 452 of 452 residues in 1426.6 ms (Link to these results)