A0A096NA61_PAPAN Loading...

Stabilizer of axonemal microtubules 4

AlphaFold DB , UniProt , Accession A0A096NA61, Species PAPAN (Papio anubis, Olive baboon), Gene SAXO4, Length 425 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
1M34.4Very low49.3Very low246 Ų246130.8 Ų130.8100%1.21276%0.757SS**  0110.20-76.7-176.5-174.400108.2
2M38.6Very low49.9Very low195 Ų195127.1 Ų127.196%0.96174%0.741SS**PPolyproline II helixtrans-83.4116.2172.4-124.289.2139.500108.1
3G41.5Very low49.9Very low70 Ų70131.5 Ų131.572%0.72274%0.74SS**PPolyproline II helixtrans-62.5134.1179.400000111.8L5G3-L5 PolarHBondContact O-N 3.24Å
4K47.9Very low50.3Low194 Ų194127.2 Ų127.284%0.84372%0.718SS**PPolyproline II helixtrans-72.5120.7172-67.7179.2-180179.40108.3
5L48.7Very low50.6Low154 Ų154125.4 Ų125.481%0.80670%0.699SS**PPolyproline II helixtrans-68.2141170.3-69168.5000109.6G3 L7G3-L5 PolarHBondContact O-N 3.24Å; L5-L7 PolarHBondContact O-N 3.04Å
6P49.2Very low50.3Low125 Ų125127.5 Ų127.581%0.81270%0.704SS**  trans-67116177.326.2-31.5000109.7
7L56.5Low50.2Low122 Ų122123.5 Ų123.564%0.63969%0.687SS**PPolyproline II helixtrans-78.2124.9174.8-65.6167.7000108.6L5 T363L5-L7 PolarHBondContact O-N 3.04Å; L7-T363 HydrophobicContact CD1-CG2 4.01Å; L7-T363 WeakPolarHBondContact CD1-OG1 3.43Å; L7-T363 HydrophobicContact CD2-CG2 3.85Å; L7-T363 HydrophobicContact CG-CG2 4.48Å
8G54.7Low50.3Low64 Ų64120.8 Ų120.866%0.6668%0.678SS**PPolyproline II helixtrans-61157.1175.800000112.6V10G8-V10 PolarHBondContact O-N 2.84Å
9V58Low50.4Low146 Ų146115.9 Ų115.989%0.88566%0.658SS**PPolyproline II helixtrans-62.2121.5-178.1-175.30000110.1S11V9-S11 PolarHBondContact O-N 2.77Å
10V57.5Low50.2Low72 Ų72113.8 Ų113.844%0.43666%0.662SS.*PPolyproline II helixtrans-64.3123.5-179.6-1790000110.4G8 V14 K15G8-V10 PolarHBondContact O-N 2.84Å; V10-V14 HydrophobicContact CG1-CB 3.8Å; V10-V14 HydrophobicContact CG1-CG1 3.75Å; V10-K15 HydrophobicContact CG1-CG 4.21Å
11S55.6Low50.1Low51 Ų51112.5 Ų112.536%0.35765%0.647SS.*PPolyproline II helixtrans-54.2140.2178.51680000112.2V9 Y13 V14 K15V9-S11 PolarHBondContact O-N 2.77Å; S11-Y13 PolarHBondContact O-N 3.47Å; S11-Y13 VanDerWaalsContact O-N 3.11Å; S11-Y13 PolarHBondContact OG-N 2.93Å; S11-V14 PolarHBondContact O-N 2.94Å; S11-K15 PolarHBondContact O-N 3.15Å
12P56Low50.8Low86 Ų86107 Ų10756%0.55863%0.627SS**Hα-helixtrans-54-31176.8-23.732.3000113.4K15 M16P12-K15 CarbonylContact O-C 3.58Å; P12-K15 VanDerWaalsContact O-CB 3.29Å; P12-K15 WeakPolarHBondContact O-CB 3.4Å; P12-K15 PolarHBondContact O-N 3.2Å; P12-M16 VanDerWaalsContact O-CG 3.32Å; P12-M16 WeakPolarHBondContact O-CG 3.26Å; P12-M16 PolarHBondContact O-N 2.96Å
13Y50Low51.1Low185 Ų18599.8 Ų99.873%0.72559%0.592SS**Hα-helixtrans-71.7-32179.3-63.3-78000113S11 K15 M16 S17S11-Y13 PolarHBondContact O-N 3.47Å; S11-Y13 VanDerWaalsContact O-N 3.11Å; S11-Y13 PolarHBondContact OG-N 2.93Å; Y13-K15 VanDerWaalsContact C-N 3.3Å; Y13-M16 PolarHBondContact O-N 3.22Å; Y13-S17 PolarHBondContact O-N 2.88Å; Y13-S17 VanDerWaalsContact O-N 3.13Å
14V56Low51.5Low71 Ų71102 Ų10243%0.4360%0.595SS.*Hα-helixtrans-72.4-30.4172.8178.90000110.3V10 S11 M16 S17V10-V14 HydrophobicContact CG1-CB 3.8Å; V10-V14 HydrophobicContact CG1-CG1 3.75Å; S11-V14 PolarHBondContact O-N 2.94Å; V14-M16 VanDerWaalsContact C-N 3.32Å; V14-S17 PolarHBondContact O-OG 3.13Å
15K53.8Low51.6Low100 Ų10096.9 Ų96.944%0.43558%0.576SS.*Hα-helixtrans-68.7-29.5169.7-74.7177.7-174.8179.90111.9V10 S11 P12 Y13 R359V10-K15 HydrophobicContact CG1-CG 4.21Å; S11-K15 PolarHBondContact O-N 3.15Å; P12-K15 CarbonylContact O-C 3.58Å; P12-K15 VanDerWaalsContact O-CB 3.29Å; P12-K15 WeakPolarHBondContact O-CB 3.4Å; P12-K15 PolarHBondContact O-N 3.2Å; Y13-K15 VanDerWaalsContact C-N 3.3Å; K15-R359 PolarHBondContact O-NH1 3.45Å; K15-R359 PolarHBondContact O-NH2 3.47Å
16M46.4Very low51.8Low159 Ų15994 Ų9478%0.78356%0.557SS**Hα-helixtrans-90.5-11-178.9-67.5172.176.200113.4P12 Y13 V14P12-M16 VanDerWaalsContact O-CG 3.32Å; P12-M16 WeakPolarHBondContact O-CG 3.26Å; P12-M16 PolarHBondContact O-N 2.96Å; Y13-M16 PolarHBondContact O-N 3.22Å; V14-M16 VanDerWaalsContact C-N 3.32Å
17S48.4Very low52Low60 Ų6097.4 Ų97.442%0.4256%0.559SS.*  trans-85.3136.5179.671.80000111.6Y13 V14 G19Y13-S17 PolarHBondContact O-N 2.88Å; Y13-S17 VanDerWaalsContact O-N 3.13Å; V14-S17 PolarHBondContact O-OG 3.13Å; S17-G19 PolarHBondContact O-N 2.98Å
18S51.8Low51.6Low74 Ų74100.2 Ų100.252%0.51756%0.562SS.*  trans-79.217175.660.60000113.2
19G53.3Low51.2Low29 Ų2999.7 Ų99.730%0.29955%0.552SS.*  trans67.9172.8-167.100000113.8S17S17-G19 PolarHBondContact O-N 2.98Å
20G45.2Very low51.1Low72 Ų7296.7 Ų96.774%0.74253%0.534SS*.  trans-70.2129.3171.800000110.4
21Y48.8Very low50.9Low88 Ų8898.2 Ų98.235%0.34555%0.548SS..  trans-81.5129.8-180-152.2-101.6000109.5D23 K26Y21-D23 VanDerWaalsContact C-N 3.33Å; Y21-D23 HydrophobicContact CD1-CB 3.63Å; Y21-D23 HydrophobicContact CE1-CB 3.51Å; Y21-K26 HydrophobicContact CD1-CB 4.05Å; Y21-K26 HydrophobicContact CD1-CD 3.49Å; Y21-K26 VanDerWaalsContact CD1-CD 3.49Å; Y21-K26 HydrophobicContact CD1-CG 4.01Å; Y21-K26 HydrophobicContact CD2-CD 4.23Å; Y21-K26 HydrophobicContact CE1-CB 4.34Å; Y21-K26 HydrophobicContact CE1-CD 3.84Å; Y21-K26 HydrophobicContact CE1-CG 4.07Å; Y21-K26 HydrophobicContact CG-CD 3.69Å
22T49Very low50.6Low129 Ų129101.4 Ų101.479%0.79155%0.553SS**  trans-83.3-8.2-173.246.70000114P24T22-P24 WeakPolarHBondContact O-CD 3.37Å
23D45.1Very low50.3Low44 Ų44100 Ų10024%0.23555%0.545CS..  trans-90.7114.9-178.4-174.32.1000112Y21 L25 K26Y21-D23 VanDerWaalsContact C-N 3.33Å; Y21-D23 HydrophobicContact CD1-CB 3.63Å; Y21-D23 HydrophobicContact CE1-CB 3.51Å; D23-L25 PolarHBondContact O-N 3.01Å; D23-L25 WeakPolarHBondContact OD1-CB 2.96Å; D23-L25 PolarHBondContact OD1-N 3.3Å; D23-K26 PolarHBondContact O-N 3.08Å
24P50.3Low50.4Low118 Ų11896.1 Ų96.177%0.76654%0.54SS*.G310 helixtrans-65.7-14.8178.126.4-33.4000114T22T22-P24 WeakPolarHBondContact O-CD 3.37Å
25L49.3Very low50.2Low85 Ų8594.3 Ų94.345%0.44553%0.533SS..G310 helixtrans-86.9-4.2-178.7-73.9158.4000114D23 F27 Y28D23-L25 PolarHBondContact O-N 3.01Å; D23-L25 WeakPolarHBondContact OD1-CB 2.96Å; D23-L25 PolarHBondContact OD1-N 3.3Å; L25-F27 PolarHBondContact O-N 2.88Å; L25-Y28 HydrophobicContact CD2-CD2 3.91Å; L25-Y28 HydrophobicContact CD2-CE2 4.1Å; L25-Y28 PolarHBondContact O-N 2.99Å
26K52.4Low49.9Very low95 Ų9596.1 Ų96.141%0.41354%0.538SS..G310 helixtrans-62.9-17-179.8-147.6-167.4-162.8167.30113.8Y21 D23 Y28 A29Y21-K26 HydrophobicContact CD1-CB 4.05Å; Y21-K26 HydrophobicContact CD1-CD 3.49Å; Y21-K26 VanDerWaalsContact CD1-CD 3.49Å; Y21-K26 HydrophobicContact CD1-CG 4.01Å; Y21-K26 HydrophobicContact CD2-CD 4.23Å; Y21-K26 HydrophobicContact CE1-CB 4.34Å; Y21-K26 HydrophobicContact CE1-CD 3.84Å; Y21-K26 HydrophobicContact CE1-CG 4.07Å; Y21-K26 HydrophobicContact CG-CD 3.69Å; D23-K26 PolarHBondContact O-N 3.08Å; K26-Y28 PolarHBondContact O-N 3.48Å; K26-A29 HydrophobicContact CG-CB 4.46Å; K26-A29 VanDerWaalsContact O-CB 3.26Å; K26-A29 WeakPolarHBondContact O-CB 3.47Å; K26-A29 PolarHBondContact O-N 3.18Å
27F53.2Low50.2Low196 Ų19692 Ų9286%0.8654%0.536SS*.G310 helixtrans-61.3-21.7171.8-154.5-89.8000112.6L25L25-F27 PolarHBondContact O-N 2.88Å
28Y49.4Very low50.6Low180 Ų18097.8 Ų97.871%0.70655%0.548SS*.G310 helixtrans-94.410176.4-59.7-76.5000113.7L25 K26 T30L25-Y28 HydrophobicContact CD2-CD2 3.91Å; L25-Y28 HydrophobicContact CD2-CE2 4.1Å; L25-Y28 PolarHBondContact O-N 2.99Å; K26-Y28 PolarHBondContact O-N 3.48Å; Y28-T30 PolarHBondContact O-N 3.43Å
29A46.7Very low50.8Low53 Ų53103.9 Ų103.944%0.43857%0.569SS.*  trans-60.7110.1175.400000109.6K26 C33K26-A29 HydrophobicContact CG-CB 4.46Å; K26-A29 VanDerWaalsContact O-CB 3.26Å; K26-A29 WeakPolarHBondContact O-CB 3.47Å; K26-A29 PolarHBondContact O-N 3.18Å; A29-C33 HydrophobicContact CB-CB 4.41Å
30T54.2Low51Low84 Ų84109.8 Ų109.852%0.51559%0.594SS.*  trans-64.6152.9176.864.80000109.9Y28 Y32 C33Y28-T30 PolarHBondContact O-N 3.43Å; T30-Y32 PolarHBondContact O-N 3.01Å; T30-C33 VanDerWaalsContact O-CB 3.3Å; T30-C33 WeakPolarHBondContact O-CB 3.35Å; T30-C33 PolarHBondContact O-N 3.17Å; T30-C33 PolarHBondContact OG1-SG 3.35Å
31S53.4Low51.3Low103 Ų103109.3 Ų109.372%0.7257%0.571SS**Hα-helixtrans-55.3-17.9176.252.20000113.9T34 A35S31-T34 PolarHBondContact O-OG1 3.42Å; S31-A35 WeakPolarHBondContact O-CB 3.49Å; S31-A35 PolarHBondContact O-N 3.12Å
32Y50.3Low51.5Low118 Ų118114 Ų11446%0.46359%0.593SS.*Hα-helixtrans-63.3-41171-169-91.5000112.2T30 T34 A35 Y36 F41T30-Y32 PolarHBondContact O-N 3.01Å; Y32-T34 PolarHBondContact O-N 3.2Å; Y32-A35 PolarHBondContact O-N 3.45Å; Y32-Y36 AromaticContact CE1-CD2 3.54Å; Y32-Y36 HydrophobicContact CE1-CD2 3.54Å; Y32-Y36 HydrophobicContact CE1-CE2 4.14Å; Y32-Y36 AromaticContact CE1-CG 3.97Å; Y32-Y36 HydrophobicContact CE1-CG 3.97Å; Y32-Y36 HydrophobicContact CE2-CD2 4.32Å; Y32-Y36 AromaticContact CZ-CD2 3.43Å; Y32-Y36 VanDerWaalsContact CZ-CD2 3.43Å; Y32-Y36 AromaticContact CZ-CE2 3.86Å; Y32-Y36 WeakPolarHBondContact O-CB 3.48Å; Y32-Y36 PolarHBondContact O-N 3.05Å; Y32-Y36 WeakPolarHBondContact OH-CD2 3.46Å; Y32-Y36 WeakPolarHBondContact OH-CE2 2.95Å; Y32-F41 HydrophobicContact CD2-CE2 4.48Å; Y32-F41 AromaticContact CD2-CZ 3.95Å; Y32-F41 HydrophobicContact CD2-CZ 3.95Å; Y32-F41 HydrophobicContact CE2-CE1 4.05Å; Y32-F41 HydrophobicContact CE2-CE2 4.4Å; Y32-F41 AromaticContact CE2-CZ 3.46Å; Y32-F41 HydrophobicContact CE2-CZ 3.46Å; Y32-F41 VanDerWaalsContact CE2-CZ 3.46Å
33C49.1Very low51.6Low58 Ų58111.8 Ų111.839%0.39258%0.581SS.*Hα-helixtrans-63.4-24.8-177.4-54.90000113.1A29 T30A29-C33 HydrophobicContact CB-CB 4.41Å; T30-C33 VanDerWaalsContact O-CB 3.3Å; T30-C33 WeakPolarHBondContact O-CB 3.35Å; T30-C33 PolarHBondContact O-N 3.17Å; T30-C33 PolarHBondContact OG1-SG 3.35Å
34T52.3Low51.9Low102 Ų102121.6 Ų121.663%0.62662%0.615SS**Hα-helixtrans-99.5-13.3-179.2560000113.9S31 Y32S31-T34 PolarHBondContact O-OG1 3.42Å; Y32-T34 PolarHBondContact O-N 3.2Å
35A51.9Low51.9Low33 Ų33123 Ų12327%0.27362%0.621SS.*Hα-helixtrans-107.6-18.4-17800000113.5S31 Y32 G37 R38 F41S31-A35 WeakPolarHBondContact O-CB 3.49Å; S31-A35 PolarHBondContact O-N 3.12Å; Y32-A35 PolarHBondContact O-N 3.45Å; A35-G37 PolarHBondContact O-N 3.25Å; A35-R38 PolarHBondContact O-N 3.03Å; A35-F41 HydrophobicContact CB-CD2 4.29Å
36Y46.6Very low51.7Low139 Ų139121.9 Ų121.955%0.54563%0.63SS.*THydrogen-bonded Turntrans-66127.6179-167.5-103.6000111.2Y32 F41Y32-Y36 AromaticContact CE1-CD2 3.54Å; Y32-Y36 HydrophobicContact CE1-CD2 3.54Å; Y32-Y36 HydrophobicContact CE1-CE2 4.14Å; Y32-Y36 AromaticContact CE1-CG 3.97Å; Y32-Y36 HydrophobicContact CE1-CG 3.97Å; Y32-Y36 HydrophobicContact CE2-CD2 4.32Å; Y32-Y36 AromaticContact CZ-CD2 3.43Å; Y32-Y36 VanDerWaalsContact CZ-CD2 3.43Å; Y32-Y36 AromaticContact CZ-CE2 3.86Å; Y32-Y36 WeakPolarHBondContact O-CB 3.48Å; Y32-Y36 PolarHBondContact O-N 3.05Å; Y32-Y36 WeakPolarHBondContact OH-CD2 3.46Å; Y32-Y36 WeakPolarHBondContact OH-CE2 2.95Å; Y36-F41 HydrophobicContact CD2-CD1 4.22Å; Y36-F41 AromaticContact CD2-CE1 3.89Å; Y36-F41 HydrophobicContact CD2-CE1 3.89Å; Y36-F41 HydrophobicContact CE2-CE1 4.36Å
37G54Low51.4Low72 Ų72122.6 Ų122.674%0.74265%0.647SS**THydrogen-bonded Turntrans91.11.2-179.900000115.9A35A35-G37 PolarHBondContact O-N 3.25Å
38R57.1Low51.2Low181 Ų181119.3 Ų119.368%0.68363%0.634SS**  trans-75141.9166-64.7-171.3179.9-146.6-3109.8A35 D40 F41A35-R38 PolarHBondContact O-N 3.03Å; R38-D40 PolarHBondContact O-N 3.22Å; R38-F41 WeakPolarHBondContact O-CB 3.45Å; R38-F41 PolarHBondContact O-N 2.71Å
39E54.4Low51Low203 Ų203117.2 Ų117.295%0.94964%0.641SS**THydrogen-bonded Turntrans-54.2-27.3-175.6-70.9-179.315900113.6
40D59Low51.1Low153 Ų153118.3 Ų118.382%0.81866%0.657SS**THydrogen-bonded Turntrans-94.23.8179.6-60.1-42.6000114.9R38 K42R38-D40 PolarHBondContact O-N 3.22Å; D40-K42 PolarHBondContact O-N 3.25Å; D40-K42 VanDerWaalsContact O-N 3.08Å
41F51.1Low50.5Low61 Ų61119.4 Ų119.427%0.26866%0.664SS.*  trans-75103.1-178.1-177.6-101.4000111.2Y32 A35 Y36 R38 P43Y32-F41 HydrophobicContact CD2-CE2 4.48Å; Y32-F41 AromaticContact CD2-CZ 3.95Å; Y32-F41 HydrophobicContact CD2-CZ 3.95Å; Y32-F41 HydrophobicContact CE2-CE1 4.05Å; Y32-F41 HydrophobicContact CE2-CE2 4.4Å; Y32-F41 AromaticContact CE2-CZ 3.46Å; Y32-F41 HydrophobicContact CE2-CZ 3.46Å; Y32-F41 VanDerWaalsContact CE2-CZ 3.46Å; A35-F41 HydrophobicContact CB-CD2 4.29Å; Y36-F41 HydrophobicContact CD2-CD1 4.22Å; Y36-F41 AromaticContact CD2-CE1 3.89Å; Y36-F41 HydrophobicContact CD2-CE1 3.89Å; Y36-F41 HydrophobicContact CE2-CE1 4.36Å; R38-F41 WeakPolarHBondContact O-CB 3.45Å; R38-F41 PolarHBondContact O-N 2.71Å; F41-P43 HydrophobicContact CE1-CB 3.99Å; F41-P43 WeakPolarHBondContact O-CD 3.29Å
42K52.8Low50.1Low186 Ų186118.6 Ų118.681%0.80967%0.672SS**  trans-94.2108170.8-65-174.4-177.9-179.50109.7D40 R44D40-K42 PolarHBondContact O-N 3.25Å; D40-K42 VanDerWaalsContact O-N 3.08Å; K42-R44 PolarHBondContact O-N 2.89Å
43P51.4Low49.5Very low84 Ų84123.5 Ų123.555%0.54569%0.691SS.*  trans-60.7128.2174.625-32000108.9F41 V45F41-P43 HydrophobicContact CE1-CB 3.99Å; F41-P43 WeakPolarHBondContact O-CD 3.29Å; P43-V45 PolarHBondContact O-N 2.94Å; P43-V45 VanDerWaalsContact O-N 3.14Å
44R51.7Low49.2Very low249 Ų249129.5 Ų129.594%0.9471%0.71SS**  trans-69.6112.1174.1-81.8-174.7172.1-161.2-2.8108.8K42 G46K42-R44 PolarHBondContact O-N 2.89Å; R44-G46 PolarHBondContact O-N 2.95Å
45V49.2Very low48.6Very low147 Ų147128.3 Ų128.389%0.89171%0.706SS**  trans-7791.8173.3-162.70000107.8P43 S47P43-V45 PolarHBondContact O-N 2.94Å; P43-V45 VanDerWaalsContact O-N 3.14Å; V45-S47 PolarHBondContact O-N 3.38Å
46G45.6Very low47.8Very low62 Ų62134.7 Ų134.764%0.63974%0.736SS**  trans-82.9110.5176.700000111.3R44R44-G46 PolarHBondContact O-N 2.95Å
47S47Very low47.5Very low110 Ų110136 Ų13677%0.76974%0.744SS**  trans-77.6117158169.80000107.7V45V45-S47 PolarHBondContact O-N 3.38Å
48H47.7Very low46.8Very low128 Ų128143 Ų14359%0.59375%0.749SS**  trans-100.2112.1175.553.5-83.2000109F321H48-F321 AromaticContact CD2-CE1 3.81Å; H48-F321 AromaticContact CE1-CE1 3.66Å; H48-F321 AromaticContact CE1-CZ 3.72Å; H48-F321 AromaticContact NE2-CE1 3.48Å; H48-F321 WeakPolarHBondContact NE2-CE1 3.11Å; H48-F321 AromaticContact NE2-CZ 3.49Å; H48-F321 WeakPolarHBondContact NE2-CZ 3.46Å
49T45.5Very low45.9Very low136 Ų136139.6 Ų139.683%0.83475%0.75SS**  trans-114.2116.8166-8.20000107
50G49.5Very low45.2Very low76 Ų76136.2 Ų136.278%0.78474%0.743SS**  trans93.961.8166.300000117.9
51T41.8Very low44.5Very low107 Ų107133.6 Ų133.666%0.65673%0.732SS**  trans-128.3113.6154.557.60000109.8Y53T51-Y53 PolarHBondContact O-N 2.95Å
52G43.5Very low44.1Very low86 Ų86135.3 Ų135.389%0.88775%0.752SS**  trans-69.223.4-171.500000117K54G52-K54 PolarHBondContact O-N 3.33Å; G52-K54 VanDerWaalsContact O-N 3.15Å
53Y39.3Very low43.7Very low221 Ų221129.3 Ų129.387%0.86773%0.732SS**  trans-83.686.5169.7-85.4-87.2000109.4T51T51-Y53 PolarHBondContact O-N 2.95Å
54K41.6Very low43.6Very low183 Ų183131.5 Ų131.580%0.79674%0.735SS**  trans-67.9128.9152.2-88.8-177.9172-179.90106.6G52 N56G52-K54 PolarHBondContact O-N 3.33Å; G52-K54 VanDerWaalsContact O-N 3.15Å; K54-N56 PolarHBondContact O-N 3.5Å
55S39.6Very low43.4Very low78 Ų78121.5 Ų121.555%0.54571%0.706SS.*  trans-42.6141.3165.8440000109.5F57S55-F57 VanDerWaalsContact O-CD2 3.29Å; S55-F57 WeakPolarHBondContact O-CD2 3.46Å; S55-F57 PolarHBondContact O-N 3.39Å; S55-F57 WeakPolarHBondContact OG-CD2 3.46Å; S55-F57 WeakPolarHBondContact OG-CE2 3.29Å; S55-F57 WeakPolarHBondContact OG-CZ 3.48Å
56N35Very low43.7Very low167 Ų167118.6 Ų118.689%0.89369%0.692SS**  trans-58.574175.4-71.5-39.1000110.6K54 R58K54-N56 PolarHBondContact O-N 3.5Å; N56-R58 PolarHBondContact O-N 3.5Å
57F40.3Very low44.2Very low165 Ų165121.1 Ų121.172%0.72469%0.69SS**  trans-68.893.3158.7-68-72.2000104.2S55 P59S55-F57 VanDerWaalsContact O-CD2 3.29Å; S55-F57 WeakPolarHBondContact O-CD2 3.46Å; S55-F57 PolarHBondContact O-N 3.39Å; S55-F57 WeakPolarHBondContact OG-CD2 3.46Å; S55-F57 WeakPolarHBondContact OG-CE2 3.29Å; S55-F57 WeakPolarHBondContact OG-CZ 3.48Å; F57-P59 WeakPolarHBondContact O-CD 3.37Å
58R40.2Very low44.3Very low220 Ų220118 Ų11883%0.8366%0.663SS**  trans-55.2122.7155.3-69.2-173.7-178.3-1101.1104.4N56 V60N56-R58 PolarHBondContact O-N 3.5Å; R58-V60 PolarHBondContact O-N 3.09Å
59P37Very low44.7Very low109 Ų109114.2 Ų114.271%0.70866%0.655SS**  trans-55.4113.1168.522.6-29.8000105.6F57 V61F57-P59 WeakPolarHBondContact O-CD 3.37Å; P59-V61 HydrophobicContact CB-CG2 4.45Å; P59-V61 PolarHBondContact O-N 3.21Å
60V41Very low45.2Very low132 Ų132115 Ų11580%0.865%0.653SS**  trans-69.293.4165.6175.80000103.4R58 S62R58-V60 PolarHBondContact O-N 3.09Å; V60-S62 PolarHBondContact O-N 3.38Å
61V42.9Very low45.5Very low99 Ų99118.2 Ų118.260%0.665%0.652SS**  trans-71.590166.3-176.30000104.4P59 C63P59-V61 HydrophobicContact CB-CG2 4.45Å; P59-V61 PolarHBondContact O-N 3.21Å; V61-C63 PolarHBondContact O-N 3.04Å
62S43.2Very low46.2Very low97 Ų97116.7 Ų116.768%0.67864%0.64SS**  trans-71.586.2169.156.80000107V60 Q64V60-S62 PolarHBondContact O-N 3.38Å; S62-Q64 PolarHBondContact O-N 3.07Å; S62-Q64 VanDerWaalsContact O-N 3.13Å
63C45.4Very low46.9Very low59 Ų59117.1 Ų117.140%0.39963%0.627SS.*  trans-62.2114.7165-76.30000107V61 A65 F83V61-C63 PolarHBondContact O-N 3.04Å; C63-A65 PolarHBondContact O-N 3.15Å; C63-F83 HydrophobicContact CB-CE2 4.48Å; C63-F83 HydrophobicContact CB-CZ 4.46Å
64Q48.2Very low47.6Very low131 Ų131110 Ų11061%0.61261%0.614SS**  trans-67115.4169.4-88.2178.5-33.400107.5S62 S66 L67S62-Q64 PolarHBondContact O-N 3.07Å; S62-Q64 VanDerWaalsContact O-N 3.13Å; Q64-S66 PolarHBondContact O-N 3.49Å; Q64-S66 VanDerWaalsContact O-N 3.08Å; Q64-L67 HydrophobicContact CB-CB 4.45Å; Q64-L67 WeakPolarHBondContact O-CB 3.17Å; Q64-L67 PolarHBondContact O-N 2.89Å
65A47.4Very low48.1Very low38 Ų38108.4 Ų108.431%0.31460%0.603SS.*Hα-helixtrans-55-27.8177.700000112.3C63 L67 E68 A69 Q80C63-A65 PolarHBondContact O-N 3.15Å; A65-L67 PolarHBondContact O-N 3.15Å; A65-E68 PolarHBondContact O-N 2.79Å; A65-A69 VanDerWaalsContact O-CB 3.26Å; A65-A69 WeakPolarHBondContact O-CB 3.1Å; A65-A69 PolarHBondContact O-N 2.9Å; A65-Q80 HydrophobicContact CB-CG 4.34Å
66S56.4Low48.5Very low87 Ų87105 Ų10561%0.60858%0.58SS**Hα-helixtrans-63.5-25174.660.10000114.1Q64Q64-S66 PolarHBondContact O-N 3.49Å; Q64-S66 VanDerWaalsContact O-N 3.08Å
67L54.8Low49.4Very low114 Ų114103.9 Ų103.960%0.59757%0.57SS**Hα-helixtrans-86.4-38.6-178.6-127.9133.6000111.2Q64 A65Q64-L67 HydrophobicContact CB-CB 4.45Å; Q64-L67 WeakPolarHBondContact O-CB 3.17Å; Q64-L67 PolarHBondContact O-N 2.89Å; A65-L67 PolarHBondContact O-N 3.15Å
68E50.2Low49.9Very low44 Ų44103 Ų10321%0.20657%0.567CS.*Hα-helixtrans-75.1-27.9173.6-79.9-170.5134.100112.9A65 L70 D71 N72 R75A65-E68 PolarHBondContact O-N 2.79Å; E68-L70 VanDerWaalsContact C-N 3.28Å; E68-L70 PolarHBondContact O-N 2.61Å; E68-D71 PolarHBondContact O-N 3.47Å; E68-N72 CarbonylContact O-C 3.46Å; E68-N72 PolarHBondContact O-N 3.2Å; E68-R75 IonicContact OE1-CZ 3Å; E68-R75 IonicContact OE1-NE 3.37Å; E68-R75 IonicContact OE1-NH2 3.01Å; E68-R75 PolarHBondContact OE1-NH2 3.42Å
69A55.2Low50.3Low50 Ų5093.4 Ų93.441%0.41354%0.535SS..Hα-helixtrans-67.7-26175.400000113.6A65A65-A69 VanDerWaalsContact O-CB 3.26Å; A65-A69 WeakPolarHBondContact O-CB 3.1Å; A65-A69 PolarHBondContact O-N 2.9Å
70L56.8Low50.9Low152 Ų15293.8 Ų93.880%0.79653%0.528SS*.Hα-helixtrans-75.9-37.1178.4-157.879000111.7E68E68-L70 VanDerWaalsContact C-N 3.28Å; E68-L70 PolarHBondContact O-N 2.61Å
71D56.3Low51.4Low143 Ų14391.4 Ų91.477%0.76551%0.511SS*.Hα-helixtrans-88.7-34.9-177.9-81.8-18.6000113.1E68E68-D71 PolarHBondContact O-N 3.47Å
72N56.8Low51.7Low76 Ų7694.7 Ų94.741%0.40652%0.519SS..  trans-154.694.8177.8-168.5-15.1000111.6E68 A74 R75 G76E68-N72 CarbonylContact O-C 3.46Å; E68-N72 PolarHBondContact O-N 3.2Å; N72-A74 VanDerWaalsContact C-N 3.26Å; N72-A74 PolarHBondContact O-N 2.87Å; N72-A74 PolarHBondContact OD1-N 3.2Å; N72-R75 HydrophobicContact CB-CB 4.01Å; N72-R75 PolarHBondContact O-N 2.95Å; N72-G76 PolarHBondContact O-N 3.29Å; N72-G76 VanDerWaalsContact O-N 3.12Å
73P57.9Low51.8Low94 Ų9496.6 Ų96.661%0.6152%0.515SS*.Hα-helixtrans-60.7-33.5-174.321.6-31.7000113R75 G76P73-R75 VanDerWaalsContact C-N 3.29Å; P73-R75 PolarHBondContact O-N 3.34Å; P73-G76 PolarHBondContact O-N 3.14Å
74A54.1Low51.7Low73 Ų7397 Ų9760%0.60351%0.511SS*.Hα-helixtrans-69.2-26.5178.200000113.2N72N72-A74 VanDerWaalsContact C-N 3.26Å; N72-A74 PolarHBondContact O-N 2.87Å; N72-A74 PolarHBondContact OD1-N 3.2Å
75R51Low51.6Low149 Ų14994 Ų9456%0.56251%0.505SS*.Hα-helixtrans-88.3-31.5179.7-164.5179.6129.8146-1.4112.2E68 N72 P73 Q78 A79E68-R75 IonicContact OE1-CZ 3Å; E68-R75 IonicContact OE1-NE 3.37Å; E68-R75 IonicContact OE1-NH2 3.01Å; E68-R75 PolarHBondContact OE1-NH2 3.42Å; N72-R75 HydrophobicContact CB-CB 4.01Å; N72-R75 PolarHBondContact O-N 2.95Å; P73-R75 VanDerWaalsContact C-N 3.29Å; P73-R75 PolarHBondContact O-N 3.34Å; R75-Q78 PolarHBondContact O-N 3.4Å; R75-A79 WeakPolarHBondContact O-CB 3.34Å; R75-A79 PolarHBondContact O-N 3.2Å; R75-A79 VanDerWaalsContact O-N 3.09Å
76G48.6Very low51.6Low5 Ų598.1 Ų98.15%0.05253%0.526CS..Hα-helixtrans-62.8-39.4176.600000113.4N72 P73 A79 Q80N72-G76 PolarHBondContact O-N 3.29Å; N72-G76 VanDerWaalsContact O-N 3.12Å; P73-G76 PolarHBondContact O-N 3.14Å; G76-A79 PolarHBondContact O-N 3.32Å; G76-Q80 PolarHBondContact O-N 3.3Å
77E54.1Low51Low145 Ų14597.3 Ų97.368%0.67852%0.524SS*.Hα-helixtrans-66.4-42.2175.7-72.9-172.316400112A79 Q80E77-A79 VanDerWaalsContact C-N 3.32Å; E77-A79 PolarHBondContact O-N 2.84Å; E77-Q80 WeakPolarHBondContact O-CB 3.31Å; E77-Q80 PolarHBondContact O-N 3.2Å
78Q51.2Low50.7Low145 Ų14594.2 Ų94.268%0.67851%0.512SS*.Hα-helixtrans-69.3-29.2180-162.1174.315.200113R75R75-Q78 PolarHBondContact O-N 3.4Å
79A48Very low50.9Low19 Ų1996.5 Ų96.516%0.15752%0.523CS..Hα-helixtrans-73.7-29.2176.900000112.7R75 G76 E77 D81 H82 F83R75-A79 WeakPolarHBondContact O-CB 3.34Å; R75-A79 PolarHBondContact O-N 3.2Å; R75-A79 VanDerWaalsContact O-N 3.09Å; G76-A79 PolarHBondContact O-N 3.32Å; E77-A79 VanDerWaalsContact C-N 3.32Å; E77-A79 PolarHBondContact O-N 2.84Å; A79-D81 VanDerWaalsContact C-N 3.31Å; A79-D81 PolarHBondContact O-N 3.24Å; A79-H82 PolarHBondContact O-N 3.35Å; A79-H82 VanDerWaalsContact O-N 3.14Å; A79-F83 HydrophobicContact CB-CE2 4.22Å; A79-F83 WeakPolarHBondContact O-CD2 3.43Å
80Q49.5Very low50.5Low117 Ų11798.1 Ų98.155%0.54753%0.531SS..Hα-helixtrans-60.9-36.9-175.9-120.4178.9-7.500113.2A65 G76 E77A65-Q80 HydrophobicContact CB-CG 4.34Å; G76-Q80 PolarHBondContact O-N 3.3Å; E77-Q80 WeakPolarHBondContact O-CB 3.31Å; E77-Q80 PolarHBondContact O-N 3.2Å
81D51.4Low49.8Very low83 Ų83100.6 Ų100.644%0.44453%0.532SS..Hα-helixtrans-82.4-20.5178.6-74.4-38.1000113.3A79 Q89 R92A79-D81 VanDerWaalsContact C-N 3.31Å; A79-D81 PolarHBondContact O-N 3.24Å; D81-Q89 PolarHBondContact O-NE2 3.45Å; D81-R92 IonicContact OD1-NH2 3.52Å; D81-R92 PolarHBondContact OD1-NH2 3.2Å
82H49.1Very low49.4Very low167 Ų167100.5 Ų100.577%0.77352%0.52SS*.Hα-helixtrans-75.4-27-177.7-111.5-133.2000113.6A79A79-H82 PolarHBondContact O-N 3.35Å; A79-H82 VanDerWaalsContact O-N 3.14Å
83F45.4Very low48.9Very low137 Ų137102.4 Ų102.460%0.60154%0.537SS*.THydrogen-bonded Turntrans-91.2-3.3179.1-65.3-71000113.7C63 A79 S85C63-F83 HydrophobicContact CB-CE2 4.48Å; C63-F83 HydrophobicContact CB-CZ 4.46Å; A79-F83 HydrophobicContact CB-CE2 4.22Å; A79-F83 WeakPolarHBondContact O-CD2 3.43Å; F83-S85 PolarHBondContact O-N 3.18Å
84Q44.1Very low48.3Very low67 Ų67105.1 Ų105.131%0.31355%0.545SS..SBendtrans-77.3122.4176.1-69.2-171.714.500110.4Q89 R92Q84-Q89 HydrophobicContact CB-CG 4.03Å; Q84-R92 VanDerWaalsContact CD-NH2 3.26Å; Q84-R92 VanDerWaalsContact NE2-NH2 3.1Å
85S45.8Very low48.2Very low69 Ų69110.1 Ų110.148%0.48356%0.556SS.*  trans-59.8151.417269.60000111.3F83 A87 S88 Q89F83-S85 PolarHBondContact O-N 3.18Å; S85-A87 PolarHBondContact O-N 3.14Å; S85-S88 PolarHBondContact N-OG 2.94Å; S85-S88 VanDerWaalsContact N-OG 3.12Å; S85-S88 PolarHBondContact O-N 2.88Å; S85-S88 PolarHBondContact O-OG 2.76Å; S85-S88 PolarHBondContact OG-N 3.38Å; S85-S88 PolarHBondContact OG-OG 2.92Å; S85-Q89 PolarHBondContact O-N 2.82Å
86V47.4Very low48.2Very low125 Ų125108.8 Ų108.876%0.75857%0.565SS**Hα-helixtrans-53.2-32.5176.5178.90000112S90V86-S90 PolarHBondContact O-N 3.25Å; V86-S90 PolarHBondContact O-OG 3.31Å
87A44.2Very low48.5Very low69 Ų69113.3 Ų113.357%0.5759%0.593SS**Hα-helixtrans-70.2-32.5177.600000113.5S85 S90S85-A87 PolarHBondContact O-N 3.14Å; A87-S90 WeakPolarHBondContact CA-OG 3.07Å; A87-S90 PolarHBondContact O-OG 3.06Å
88S48.1Very low48.5Very low49 Ų49112 Ų11234%0.34359%0.591SS.*Hα-helixtrans-80.8-28.618049.60000113S85S85-S88 PolarHBondContact N-OG 2.94Å; S85-S88 VanDerWaalsContact N-OG 3.12Å; S85-S88 PolarHBondContact O-N 2.88Å; S85-S88 PolarHBondContact O-OG 2.76Å; S85-S88 PolarHBondContact OG-N 3.38Å; S85-S88 PolarHBondContact OG-OG 2.92Å
89Q53.1Low48.4Very low92 Ų92108.4 Ų108.443%0.4359%0.593SS.*Hα-helixtrans-72.2-32.7173.9-71-175.6-600112.3D81 Q84 S85 Y91D81-Q89 PolarHBondContact O-NE2 3.45Å; Q84-Q89 HydrophobicContact CB-CG 4.03Å; S85-Q89 PolarHBondContact O-N 2.82Å; Q89-Y91 VanDerWaalsContact C-N 3.33Å
90S46.8Very low48.6Very low84 Ų84115.7 Ų115.759%0.58762%0.621SS**Hα-helixtrans-79.3-13.9-178.837.10000114.1V86 A87V86-S90 PolarHBondContact O-N 3.25Å; V86-S90 PolarHBondContact O-OG 3.31Å; A87-S90 WeakPolarHBondContact CA-OG 3.07Å; A87-S90 PolarHBondContact O-OG 3.06Å
91Y44Very low48.6Very low205 Ų205116 Ų11680%0.80462%0.622SS**THydrogen-bonded Turntrans-121.333.3-179.5-96.5-87.9000113Q89Q89-Y91 VanDerWaalsContact C-N 3.33Å
92R47.4Very low48.6Very low141 Ų141117.6 Ų117.653%0.53264%0.637SS.*  trans-68.4133.1169.1-73.7-166.2-177.9179.85.6109.8D81 Q84D81-R92 IonicContact OD1-NH2 3.52Å; D81-R92 PolarHBondContact OD1-NH2 3.2Å; Q84-R92 VanDerWaalsContact CD-NH2 3.26Å; Q84-R92 VanDerWaalsContact NE2-NH2 3.1Å
93P46.1Very low48.5Very low116 Ų116115.7 Ų115.775%0.75363%0.631SS**  trans-55.1145.6172-2231.8000111.2E95P93-E95 PolarHBondContact O-N 2.9Å
94L44.3Very low48.3Very low150 Ų150113.1 Ų113.179%0.78563%0.629SS**  trans-71.1101.4-179.9-162.683.5000109.5
95E53.4Low48.3Very low179 Ų179122.4 Ų122.484%0.83666%0.661SS**PPolyproline II helixtrans-81126.2170.9-72.7-178.1172.300109.6P93P93-E95 PolarHBondContact O-N 2.9Å
96V50.3Low48.3Very low121 Ų121124.5 Ų124.573%0.73368%0.676SS**PPolyproline II helixtrans-86.5131.9179.6-177.10000108.5D98V96-D98 PolarHBondContact O-N 3.02Å
97P54.6Low47.8Very low99 Ų99125 Ų12564%0.64367%0.671SS**PPolyproline II helixtrans-61.6123.7179.4-20.631000111.6G99P97-G99 PolarHBondContact O-N 3.28Å
98D55.5Low47.7Very low118 Ų118131 Ų13163%0.63169%0.687SS**  trans-74.48.1-173.4-156.431.3000113.5V96 K100V96-D98 PolarHBondContact O-N 3.02Å; D98-K100 WeakPolarHBondContact O-CG 3.01Å; D98-K100 PolarHBondContact O-N 3.12Å; D98-K100 IonicContact OD2-NZ 3.73Å
99G48.6Very low47.6Very low70 Ų70136.4 Ų136.472%0.72271%0.707SS**SBendtrans64.82.417200000116.3P97P97-G99 PolarHBondContact O-N 3.28Å
100K52.5Low47Very low171 Ų171138.5 Ų138.574%0.74373%0.726SS**  trans-90.44.5-177.4-66.3-175.7-170.3168.10114.4D98D98-K100 WeakPolarHBondContact O-CG 3.01Å; D98-K100 PolarHBondContact O-N 3.12Å; D98-K100 IonicContact OD2-NZ 3.73Å
101H49.4Very low46.7Very low124 Ų124139.9 Ų139.957%0.57474%0.736SS**SBendtrans-81.9139.2-176.5-57-62.6000111.7L103H101-L103 PolarHBondContact O-N 2.78Å
102P50.1Low47Very low117 Ų117134.7 Ų134.776%0.7673%0.73SS**PPolyproline II helixtrans-63.8135.2176.626.2-32.3000110.4
103L48Very low46.9Very low126 Ų126131.6 Ų131.666%0.6674%0.742SS**PPolyproline II helixtrans-62.9147.3179-70.5165.7000111.4H101H101-L103 PolarHBondContact O-N 2.78Å
104P41.5Very low47.1Very low84 Ų84136.8 Ų136.855%0.54575%0.748SS.*PPolyproline II helixtrans-60.1140.2-177.220.8-31000112.5S106 M107P104-S106 PolarHBondContact O-N 3.36Å; P104-M107 PolarHBondContact O-N 3.43Å
105W43.2Very low47Very low262 Ų262132.9 Ų132.999%0.99274%0.744SS**THydrogen-bonded Turntrans-66.3-0.1-176.7-76.658.2000114.8
106S45.3Very low46.6Very low112 Ų112136 Ų13678%0.78375%0.748SS**THydrogen-bonded Turntrans-100.11.5-177.761.80000114.4P104P104-S106 PolarHBondContact O-N 3.36Å
107M38.7Very low46.1Very low136 Ų136139.2 Ų139.267%0.6776%0.755SS**SBendtrans-79.6119.1167.6-106.5-178.5160.400109.2P104 Q109P104-M107 PolarHBondContact O-N 3.43Å; M107-Q109 PolarHBondContact O-N 3Å
108H41.4Very low45.7Very low196 Ų196143.3 Ų143.391%0.90776%0.763SS**  trans-58.2101.4163.7-106.5-59.9000108.1T110H108-T110 PolarHBondContact O-N 3.37Å
109Q46.2Very low44.8Very low161 Ų161143.6 Ų143.675%0.75277%0.771SS**  trans-80.1105.4166.4-68.3-174.910.200106.9M107 S111M107-Q109 PolarHBondContact O-N 3Å; Q109-S111 PolarHBondContact O-N 3.26Å; Q109-S111 VanDerWaalsContact O-N 3.13Å
110T39.8Very low44.3Very low136 Ų136146 Ų14683%0.83478%0.777SS**  trans-61.5116.6166.8-35.70000106.5H108 S112H108-T110 PolarHBondContact O-N 3.37Å; T110-S112 PolarHBondContact O-N 2.91Å
111S40.5Very low43.6Very low113 Ų113143.3 Ų143.379%0.7979%0.786SS**  trans-58.4103.9-179.2530000109.7Q109Q109-S111 PolarHBondContact O-N 3.26Å; Q109-S111 VanDerWaalsContact O-N 3.13Å
112S49.3Very low43.1Very low96 Ų96140.3 Ų140.367%0.67179%0.789SS**  trans-67132.2156.5172.90000107T110 Y114T110-S112 PolarHBondContact O-N 2.91Å; S112-Y114 PolarHBondContact O-N 3.48Å
113G47.3Very low42.5Very low77 Ų77142.7 Ų142.779%0.79479%0.794SS**THydrogen-bonded Turntrans-63.721.1-169.700000117.1
114Y50.2Low42.2Very low224 Ų224141.9 Ų141.988%0.87880%0.797SS**THydrogen-bonded Turntrans-12731.4179.3-75.2-82.4000112.9S112S112-Y114 PolarHBondContact O-N 3.48Å
115G40.5Very low42.3Very low68 Ų68144.2 Ų144.270%0.70181%0.81SS**PPolyproline II helixtrans-90.3116.317300000112E117G115-E117 PolarHBondContact O-N 2.73Å
116R45.7Very low42.4Very low246 Ų246141 Ų14193%0.92880%0.803SS**PPolyproline II helixtrans-66.9120.7171.9-159.6-177.4-157.3-124.97.1109.2K118R116-K118 PolarHBondContact O-N 3.44Å
117E40.7Very low42.3Very low187 Ų187144.4 Ų144.487%0.87481%0.806SS**PPolyproline II helixtrans-61.3118.6178.3-159.8173.1-155.100109.9G115G115-E117 PolarHBondContact O-N 2.73Å
118K44.5Very low42.5Very low186 Ų186143.4 Ų143.481%0.80981%0.807SS**PPolyproline II helixtrans-95.7122.5167.9-85.9-177.3175.8178.50107.6R116 S120R116-K118 PolarHBondContact O-N 3.44Å; K118-S120 PolarHBondContact O-N 3.03Å; K118-S120 VanDerWaalsContact O-N 3.15Å
119P38.3Very low42.6Very low124 Ų124145 Ų14581%0.80581%0.806SS**  trans-67.8115.2174.824.4-29.4000109.6A121P119-A121 PolarHBondContact O-N 3.46Å; P119-A121 VanDerWaalsContact O-N 3.07Å
120S36.7Very low42.6Very low120 Ų120146.6 Ų146.684%0.83981%0.81SS**  trans-67100.3172.8-580000109.7K118 G122K118-S120 PolarHBondContact O-N 3.03Å; K118-S120 VanDerWaalsContact O-N 3.15Å; S120-G122 VanDerWaalsContact C-N 3.3Å; S120-G122 PolarHBondContact O-N 3.13Å
121A38.9Very low43.2Very low114 Ų114145.1 Ų145.194%0.94280%0.8SS**  trans-76.781.5168.400000109.5P119P119-A121 PolarHBondContact O-N 3.46Å; P119-A121 VanDerWaalsContact O-N 3.07Å
122G37.6Very low43.7Very low61 Ų61147.6 Ų147.663%0.62980%0.799SS**  trans-148.7109.3173.300000110.2S120S120-G122 VanDerWaalsContact C-N 3.3Å; S120-G122 PolarHBondContact O-N 3.13Å
123L38.4Very low43.8Very low167 Ų167149.6 Ų149.687%0.87480%0.796SS**  trans-62.6134.4175-80.9156.2000110.2T125L123-T125 PolarHBondContact O-N 2.89Å
124P41.2Very low43.7Very low110 Ų110151.2 Ų151.271%0.71479%0.787SS**  trans-71.2113.8179.526.7-31.9000111.2K126P124-K126 PolarHBondContact O-N 3.33Å
125T43.2Very low43.9Very low133 Ų133145.8 Ų145.882%0.81678%0.777SS**  trans-705317532.80000113.1L123L123-T125 PolarHBondContact O-N 2.89Å
126K45.8Very low44.3Very low195 Ų195149.8 Ų149.885%0.84878%0.777SS**  trans-96.9-9.9176-87.4-173.3175.9179.20115P124P124-K126 PolarHBondContact O-N 3.33Å
127E43.2Very low44.5Very low183 Ų183145.9 Ų145.986%0.85577%0.769SS**SBendtrans-100.9-12.3-175.7-79.3-178.3149.900115.8R129E127-R129 VanDerWaalsContact C-N 3.33Å; E127-R129 PolarHBondContact O-N 3.25Å
128V43.2Very low45Very low114 Ų114141.9 Ų141.969%0.69175%0.75SS**THydrogen-bonded Turntrans-95.241.7-174.5-159.80000112.8
129R42.5Very low45.3Very low231 Ų231135 Ų13587%0.87273%0.733SS**THydrogen-bonded Turntrans-108.43.8171.9-82.5-169177.3-165.6-1.4114.2E127E127-R129 VanDerWaalsContact C-N 3.33Å; E127-R129 PolarHBondContact O-N 3.25Å
130K48Very low45.8Very low194 Ų194135.1 Ų135.184%0.84373%0.734SS**SBendtrans-102.85.7-174.2-89.1-173.3174.1-177.60116.3
131V51.3Low46.5Very low104 Ų104138.3 Ų138.363%0.6374%0.735SS**  trans-134.755.3-176.8-158.80000111.7F133V131-F133 HydrophobicContact CG1-CD2 4.3Å; V131-F133 HydrophobicContact CG1-CE2 3.66Å; V131-F133 HydrophobicContact CG1-CZ 4.42Å
132H50.7Low47.1Very low165 Ų165136.1 Ų136.176%0.76472%0.717SS**  trans-117.6111.8160.4-68.183.3000106.5
133F51.4Low47.8Very low139 Ų139136.6 Ų136.661%0.6170%0.704SS**  trans-94.6126.8176.4-63.9-77.5000108.7V131 T135V131-F133 HydrophobicContact CG1-CD2 4.3Å; V131-F133 HydrophobicContact CG1-CE2 3.66Å; V131-F133 HydrophobicContact CG1-CZ 4.42Å; F133-T135 PolarHBondContact O-N 3.27Å
134D46.3Very low48.5Very low111 Ų111136 Ų13659%0.59471%0.708SS**  trans-81.1107.5173.5-163.4-18.9000109.3Q136D134-Q136 PolarHBondContact O-N 2.97Å; D134-Q136 PolarHBondContact OD1-N 3.25Å
135T53.2Low49.2Very low109 Ų109134 Ų13467%0.66971%0.707SS**Hα-helixtrans-69.1-7.1-177.2270000114.5F133F133-T135 PolarHBondContact O-N 3.27Å
136Q49.3Very low49.6Very low153 Ų153133.6 Ų133.672%0.71570%0.699SS**Hα-helixtrans-74.5-33.1176-77.2-154.80.300113.6D134D134-Q136 PolarHBondContact O-N 2.97Å; D134-Q136 PolarHBondContact OD1-N 3.25Å
137E50.1Low49.9Very low164 Ų164132.2 Ų132.277%0.76670%0.696SS**Hα-helixtrans-85.5-18.9-173.1-71.1-156161.300114.1
138H51Low50.2Low102 Ų102128.4 Ų128.447%0.47269%0.687SS.*Hα-helixtrans-112.4-6.8-166.1-67.3-1.8000115A142H138-A142 HydrophobicContact CB-CB 4.18Å; H138-A142 WeakPolarHBondContact O-CB 3.47Å
139G52Low50.6Low43 Ų43134.2 Ų134.244%0.44370%0.696SS.*THydrogen-bonded Turntrans63.5165176.900000113.9Q141G139-Q141 PolarHBondContact O-N 3.33Å
140P48.5Very low51Low126 Ų126132.5 Ų132.582%0.81870%0.698SS**THydrogen-bonded Turntrans-70.70.8-168.826.8-34.4000115.3
141Q50.6Low51.2Low187 Ų187129 Ų12987%0.87469%0.693SS**THydrogen-bonded Turntrans-129-1.9-170.2-67.3175.7-4.800114.5G139G139-Q141 PolarHBondContact O-N 3.33Å
142A51.1Low50.9Low67 Ų67128.6 Ų128.655%0.55469%0.692SS**SBendtrans-87.1-4.2-170.900000115.5H138H138-A142 HydrophobicContact CB-CB 4.18Å; H138-A142 WeakPolarHBondContact O-CB 3.47Å
143I53.8Low51Low71 Ų71127.6 Ų127.636%0.36469%0.692SS.*SBendtrans-124.9107.6-176-52177.2000110.5G145 L146I143-G145 PolarHBondContact O-N 3.28Å; I143-L146 HydrophobicContact CD1-CD1 4.49Å; I143-L146 HydrophobicContact CG2-CD1 4.34Å
144T51.3Low51Low155 Ų155127.6 Ų127.695%0.95170%0.698SS**THydrogen-bonded Turntrans-62.2114.3172.4-460000109.9
145G57.3Low51.2Low67 Ų67130.8 Ų130.869%0.69171%0.708SS**THydrogen-bonded Turntrans117.8-4.3175.200000116.4I143I143-G145 PolarHBondContact O-N 3.28Å
146L50.1Low50.9Low125 Ų125132.6 Ų132.665%0.65471%0.709SS**  trans-104.774.9168.3-84.7163.6000109.3I143I143-L146 HydrophobicContact CD1-CD1 4.49Å; I143-L146 HydrophobicContact CG2-CD1 4.34Å
147E52.8Low51Low167 Ų167134.4 Ų134.478%0.7872%0.718SS**PPolyproline II helixtrans-62.4134.9172-70.4-62.1147.600109.7R149E147-R149 PolarHBondContact O-N 2.93Å; E147-R149 VanDerWaalsContact O-N 3.15Å
148P50.7Low51Low102 Ų102134.8 Ų134.866%0.66272%0.719SS**PPolyproline II helixtrans-55.9122.7174.7-19.229.2000109.3E150P148-E150 PolarHBondContact O-N 3.19Å
149R49.7Very low50.8Low236 Ų236133.7 Ų133.789%0.89174%0.736SS**PPolyproline II helixtrans-58116.2168-109.8-178.2167.6-173.7-3.8107.5E147 V151E147-R149 PolarHBondContact O-N 2.93Å; E147-R149 VanDerWaalsContact O-N 3.15Å; R149-V151 PolarHBondContact O-N 3.07Å
150E52.3Low50.5Low195 Ų195136.5 Ų136.591%0.91174%0.737SS**  trans-55.4107.4170.5-78.6-177150.700108.8P148P148-E150 PolarHBondContact O-N 3.19Å
151V52.4Low50.5Low121 Ų121131.8 Ų131.873%0.73371%0.712SS**  trans-85.2121.6171-175.10000106.3R149 L153R149-V151 PolarHBondContact O-N 3.07Å; V151-L153 PolarHBondContact O-N 2.71Å
152P43.8Very low50.6Low96 Ų96128.9 Ų128.962%0.62371%0.709SS**  trans-59.1128.7175.222.2-30.6000109.6L154P152-L154 PolarHBondContact O-N 3.4Å
153L52.7Low50.6Low143 Ų143131.9 Ų131.975%0.74972%0.715SS**  trans-68.853.1-179.3-87.9152.8000112.6V151 H155 Q156V151-L153 PolarHBondContact O-N 2.71Å; L153-H155 VanDerWaalsContact C-N 3.29Å; L153-Q156 HydrophobicContact CD2-CB 4Å; L153-Q156 HydrophobicContact CD2-CG 4.46Å
154L52.8Low50.4Low140 Ų140134.3 Ų134.373%0.73373%0.725SS**THydrogen-bonded Turntrans-81.7-6.7176.7-88161.5000113.4P152P152-L154 PolarHBondContact O-N 3.4Å
155H49.7Very low50.5Low177 Ų177137 Ų13782%0.81972%0.718SS**THydrogen-bonded Turntrans-136.638.1-178.9-58.299.5000113.3L153 Q157L153-H155 VanDerWaalsContact C-N 3.29Å; H155-Q157 VanDerWaalsContact C-N 3.27Å; H155-Q157 PolarHBondContact O-N 3.13Å
156Q47.8Very low50.2Low148 Ų148139.5 Ų139.569%0.69271%0.712SS**  trans-66.696.8161.6-16617555.300106.9L153 Q158L153-Q156 HydrophobicContact CD2-CB 4Å; L153-Q156 HydrophobicContact CD2-CG 4.46Å; Q156-Q158 VanDerWaalsContact C-N 3.29Å; Q156-Q158 PolarHBondContact O-N 2.91Å
157Q49.6Very low50.1Low190 Ų190138.1 Ų138.189%0.88871%0.705SS**  trans-60.699.4168.4-89-167.9-31.200107H155 G159H155-Q157 VanDerWaalsContact C-N 3.27Å; H155-Q157 PolarHBondContact O-N 3.13Å; Q157-G159 PolarHBondContact O-N 3.05Å
158Q50.1Low49.6Very low172 Ų172136.2 Ų136.280%0.80469%0.694SS**  trans-52.3124.4164.1-107.9174.2-13.900107.2Q156 Q160Q156-Q158 VanDerWaalsContact C-N 3.29Å; Q156-Q158 PolarHBondContact O-N 2.91Å; Q158-Q160 PolarHBondContact O-N 3.06Å
159G48.1Very low49.5Very low79 Ų79140.8 Ų140.881%0.81470%0.698SS**  trans-56110.2176.500000109.1Q157 G161Q157-G159 PolarHBondContact O-N 3.05Å; G159-G161 PolarHBondContact O-N 3.22Å
160Q46.4Very low49.5Very low102 Ų102136.3 Ų136.348%0.47768%0.682SS.*  trans-65.6131.9178.5-69.6-170.3-1800109.2Q158 E164Q158-Q160 PolarHBondContact O-N 3.06Å; Q160-E164 HydrophobicContact CB-CB 4.34Å
161G46.5Very low49.5Very low28 Ų28128.7 Ų128.729%0.28966%0.656SS.*  trans-62.5159.6178.100000111.8G159 L163 E164 R165G159-G161 PolarHBondContact O-N 3.22Å; G161-L163 PolarHBondContact O-N 3.02Å; G161-E164 PolarHBondContact N-OE2 3.01Å; G161-E164 PolarHBondContact O-N 3.41Å; G161-R165 PolarHBondContact O-N 2.97Å
162P54.3Low49.6Very low126 Ų126128.2 Ų128.282%0.81866%0.656SS**Hα-helixtrans-53.9-32.4-178.1-23.331.4000113.5
163L49.8Very low49.9Very low130 Ų130133.4 Ų133.468%0.68166%0.663SS**Hα-helixtrans-80.8-26.2-178.3-150.578.6000113.7G161 N167G161-L163 PolarHBondContact O-N 3.02Å; L163-N167 PolarHBondContact O-ND2 2.73Å
164E50Low49.6Very low121 Ų121132 Ų13257%0.56565%0.651SS**Hα-helixtrans-81.2-29178.4-70.9-179.715200111.6Q160 G161 E166 N167 F168Q160-E164 HydrophobicContact CB-CB 4.34Å; G161-E164 PolarHBondContact N-OE2 3.01Å; G161-E164 PolarHBondContact O-N 3.41Å; E164-E166 VanDerWaalsContact C-N 3.29Å; E164-E166 PolarHBondContact O-N 2.87Å; E164-N167 PolarHBondContact O-N 3.13Å; E164-F168 PolarHBondContact O-N 2.97Å
165R53.3Low49.3Very low212 Ų212133 Ų13380%0.865%0.654SS**Hα-helixtrans-66.3-30.4174.3-162.8179.5-176.8-174.11.8112.7G161G161-R165 PolarHBondContact O-N 2.97Å
166E51Low49.4Very low120 Ų120128.5 Ų128.556%0.56164%0.639SS**Hα-helixtrans-77.8-26.4178.5-165.1175.3-169.600112.5E164E164-E166 VanDerWaalsContact C-N 3.29Å; E164-E166 PolarHBondContact O-N 2.87Å
167N48.8Very low49.6Very low95 Ų95124.5 Ų124.551%0.50863%0.627SS.*  trans-114.916.1-170.2-70-54.3000114.4L163 E164 R169L163-N167 PolarHBondContact O-ND2 2.73Å; E164-N167 PolarHBondContact O-N 3.13Å; N167-R169 PolarHBondContact O-N 3.4Å
168F42.8Very low49.7Very low128 Ų128121.8 Ų121.856%0.56161%0.614SS**SBendtrans-70.387.1176.2-145.8-93.4000110.7E164 Y170E164-F168 PolarHBondContact O-N 2.97Å; F168-Y170 VanDerWaalsContact C-N 3.33Å; F168-Y170 PolarHBondContact O-N 3.11Å
169R48.1Very low49.6Very low198 Ų198120.9 Ų120.975%0.74761%0.605SS**SBendtrans70.5-9.5171.2-58.6-167.7-176-129.50.9118.8N167N167-R169 PolarHBondContact O-N 3.4Å
170Y50.3Low49.6Very low141 Ų141121.7 Ų121.755%0.55359%0.591SS**SBendtrans-147.4116.4178.1-61.2-61.4000110.7F168 F174F168-Y170 VanDerWaalsContact C-N 3.33Å; F168-Y170 PolarHBondContact O-N 3.11Å; Y170-F174 HydrophobicContact CD1-CB 4.27Å; Y170-F174 AromaticContact CD1-CD1 3.17Å; Y170-F174 HydrophobicContact CD1-CD1 3.17Å; Y170-F174 AromaticContact CD1-CD2 3.4Å; Y170-F174 HydrophobicContact CD1-CD2 3.4Å; Y170-F174 VanDerWaalsContact CD1-CD2 3.4Å; Y170-F174 AromaticContact CD1-CE1 3.11Å; Y170-F174 HydrophobicContact CD1-CE1 3.11Å; Y170-F174 AromaticContact CD1-CE2 3.34Å; Y170-F174 HydrophobicContact CD1-CE2 3.34Å; Y170-F174 AromaticContact CD1-CG 3.32Å; Y170-F174 HydrophobicContact CD1-CG 3.32Å; Y170-F174 AromaticContact CD1-CZ 3.2Å; Y170-F174 HydrophobicContact CD1-CZ 3.2Å; Y170-F174 HydrophobicContact CD2-CD1 4.25Å; Y170-F174 HydrophobicContact CD2-CE1 4.29Å; Y170-F174 AromaticContact CE1-CD1 3.87Å; Y170-F174 HydrophobicContact CE1-CD1 3.87Å; Y170-F174 HydrophobicContact CE1-CD2 4.11Å; Y170-F174 AromaticContact CE1-CE1 3.27Å; Y170-F174 HydrophobicContact CE1-CE1 3.27Å; Y170-F174 AromaticContact CE1-CE2 3.55Å; Y170-F174 HydrophobicContact CE1-CE2 3.55Å; Y170-F174 HydrophobicContact CE1-CG 4.26Å; Y170-F174 AromaticContact CE1-CZ 3.08Å; Y170-F174 HydrophobicContact CE1-CZ 3.08Å; Y170-F174 HydrophobicContact CE2-CE1 4.4Å; Y170-F174 HydrophobicContact CG-CB 4.31Å; Y170-F174 AromaticContact CG-CD1 3.39Å; Y170-F174 HydrophobicContact CG-CD1 3.39Å; Y170-F174 HydrophobicContact CG-CD2 4.25Å; Y170-F174 AromaticContact CG-CE1 3.67Å; Y170-F174 HydrophobicContact CG-CE1 3.67Å; Y170-F174 HydrophobicContact CG-CE2 4.47Å; Y170-F174 AromaticContact CG-CG 3.72Å; Y170-F174 HydrophobicContact CG-CG 3.72Å; Y170-F174 HydrophobicContact CG-CZ 4.21Å; Y170-F174 AromaticContact CZ-CE1 3.93Å
171G52.2Low49.8Very low36 Ų36120.4 Ų120.437%0.37159%0.593SS.*  trans-66.2167.817800000112.4R173 F174G171-R173 PolarHBondContact O-N 3.11Å; G171-F174 WeakPolarHBondContact O-CB 3.49Å; G171-F174 PolarHBondContact O-N 3.08Å
172P53.3Low50.2Low111 Ų111126.3 Ų126.372%0.72161%0.61SS**THydrogen-bonded Turntrans-61.6-3.3-173.122.2-33.1000115.4
173R50.2Low49.9Very low205 Ų205127.6 Ų127.677%0.77460%0.6SS**THydrogen-bonded Turntrans-115.410.5177.2-60.7-170.9-180-165.7-0.3113.6G171 M175 T176G171-R173 PolarHBondContact O-N 3.11Å; R173-M175 PolarHBondContact O-N 3.3Å; R173-T176 PolarHBondContact O-N 3.06Å; R173-T176 PolarHBondContact O-OG1 2.94Å
174F46.9Very low49.8Very low113 Ų113128 Ų12850%0.49660%0.602SS.*THydrogen-bonded Turntrans-68.7121.9179-170.3-105.9000110Y170 G171Y170-F174 HydrophobicContact CD1-CB 4.27Å; Y170-F174 AromaticContact CD1-CD1 3.17Å; Y170-F174 HydrophobicContact CD1-CD1 3.17Å; Y170-F174 AromaticContact CD1-CD2 3.4Å; Y170-F174 HydrophobicContact CD1-CD2 3.4Å; Y170-F174 VanDerWaalsContact CD1-CD2 3.4Å; Y170-F174 AromaticContact CD1-CE1 3.11Å; Y170-F174 HydrophobicContact CD1-CE1 3.11Å; Y170-F174 AromaticContact CD1-CE2 3.34Å; Y170-F174 HydrophobicContact CD1-CE2 3.34Å; Y170-F174 AromaticContact CD1-CG 3.32Å; Y170-F174 HydrophobicContact CD1-CG 3.32Å; Y170-F174 AromaticContact CD1-CZ 3.2Å; Y170-F174 HydrophobicContact CD1-CZ 3.2Å; Y170-F174 HydrophobicContact CD2-CD1 4.25Å; Y170-F174 HydrophobicContact CD2-CE1 4.29Å; Y170-F174 AromaticContact CE1-CD1 3.87Å; Y170-F174 HydrophobicContact CE1-CD1 3.87Å; Y170-F174 HydrophobicContact CE1-CD2 4.11Å; Y170-F174 AromaticContact CE1-CE1 3.27Å; Y170-F174 HydrophobicContact CE1-CE1 3.27Å; Y170-F174 AromaticContact CE1-CE2 3.55Å; Y170-F174 HydrophobicContact CE1-CE2 3.55Å; Y170-F174 HydrophobicContact CE1-CG 4.26Å; Y170-F174 AromaticContact CE1-CZ 3.08Å; Y170-F174 HydrophobicContact CE1-CZ 3.08Å; Y170-F174 HydrophobicContact CE2-CE1 4.4Å; Y170-F174 HydrophobicContact CG-CB 4.31Å; Y170-F174 AromaticContact CG-CD1 3.39Å; Y170-F174 HydrophobicContact CG-CD1 3.39Å; Y170-F174 HydrophobicContact CG-CD2 4.25Å; Y170-F174 AromaticContact CG-CE1 3.67Å; Y170-F174 HydrophobicContact CG-CE1 3.67Å; Y170-F174 HydrophobicContact CG-CE2 4.47Å; Y170-F174 AromaticContact CG-CG 3.72Å; Y170-F174 HydrophobicContact CG-CG 3.72Å; Y170-F174 HydrophobicContact CG-CZ 4.21Å; Y170-F174 AromaticContact CZ-CE1 3.93Å; G171-F174 WeakPolarHBondContact O-CB 3.49Å; G171-F174 PolarHBondContact O-N 3.08Å
175M46.3Very low49.6Very low162 Ų162133.6 Ų133.680%0.79862%0.618SS**THydrogen-bonded Turntrans6921.2-175.5-57.2-177.159.300117.1R173 S177R173-M175 PolarHBondContact O-N 3.3Å; M175-S177 PolarHBondContact O-N 3.25Å
176T52.3Low49.3Very low81 Ų81131 Ų13150%0.49762%0.615SS.*  trans-73.6118.6167.6540000110R173R173-T176 PolarHBondContact O-N 3.06Å; R173-T176 PolarHBondContact O-OG1 2.94Å
177S50.6Low48.9Very low64 Ų64130.9 Ų130.945%0.44863%0.625SS.*  trans-70.9153.7171.361.20000110.4M175 Y179 N180M175-S177 PolarHBondContact O-N 3.25Å; S177-Y179 PolarHBondContact O-N 2.9Å; S177-N180 PolarHBondContact O-N 3.13Å
178E51.9Low48.5Very low133 Ų133133.8 Ų133.862%0.62164%0.639SS**Hα-helixtrans-54.6-27176.3-62.8-178.5-160.300113N180 S181 K182E178-N180 VanDerWaalsContact C-N 3.34Å; E178-N180 PolarHBondContact O-N 2.82Å; E178-S181 PolarHBondContact O-N 3.28Å; E178-S181 VanDerWaalsContact O-N 3.13Å; E178-S181 PolarHBondContact O-OG 3.01Å; E178-K182 PolarHBondContact O-N 3.33Å; E178-K182 VanDerWaalsContact O-N 3.11Å; E178-K182 IonicContact OE2-NZ 3.84Å; E178-K182 PolarHBondContact OE2-NZ 2.93Å
179Y48.3Very low48.7Very low153 Ų153135.4 Ų135.460%0.665%0.654SS**Hα-helixtrans-56.7-44.7172.4-170.5-90.2000111.8S177 S181 K182 Y183S177-Y179 PolarHBondContact O-N 2.9Å; Y179-S181 VanDerWaalsContact C-N 3.27Å; Y179-S181 PolarHBondContact O-N 3.08Å; Y179-K182 PolarHBondContact O-N 2.83Å; Y179-Y183 HydrophobicContact CD1-CD2 4.03Å; Y179-Y183 AromaticContact CD2-CD2 3.46Å; Y179-Y183 HydrophobicContact CD2-CD2 3.46Å; Y179-Y183 VanDerWaalsContact CD2-CD2 3.46Å; Y179-Y183 AromaticContact CD2-CE2 3.41Å; Y179-Y183 HydrophobicContact CD2-CE2 3.41Å; Y179-Y183 VanDerWaalsContact CD2-CE2 3.41Å; Y179-Y183 AromaticContact CE1-CD2 4Å; Y179-Y183 HydrophobicContact CE1-CD2 4Å; Y179-Y183 HydrophobicContact CE1-CG 4.46Å; Y179-Y183 AromaticContact CE2-CD2 3.42Å; Y179-Y183 HydrophobicContact CE2-CD2 3.42Å; Y179-Y183 VanDerWaalsContact CE2-CD2 3.42Å; Y179-Y183 AromaticContact CE2-CE2 3.31Å; Y179-Y183 HydrophobicContact CE2-CE2 3.31Å; Y179-Y183 HydrophobicContact CE2-CG 4.34Å; Y179-Y183 AromaticContact CG-CD2 3.77Å; Y179-Y183 HydrophobicContact CG-CD2 3.77Å; Y179-Y183 HydrophobicContact CG-CE2 4.18Å; Y179-Y183 AromaticContact CZ-CD2 3.69Å; Y179-Y183 WeakPolarHBondContact O-CB 3.36Å; Y179-Y183 VanDerWaalsContact O-CD2 3.29Å; Y179-Y183 WeakPolarHBondContact O-CD2 3.27Å; Y179-Y183 PolarHBondContact O-N 3.02Å
180N48.1Very low48.4Very low97 Ų97134.1 Ų134.152%0.51966%0.656SS.*Hα-helixtrans-68.9-22.2177.3-88.1-41.9000113.5S177 E178S177-N180 PolarHBondContact O-N 3.13Å; E178-N180 VanDerWaalsContact C-N 3.34Å; E178-N180 PolarHBondContact O-N 2.82Å
181S51.3Low48Very low74 Ų74132 Ų13252%0.51766%0.66SS.*Hα-helixtrans-84.1-29177.169.60000113.7E178 Y179E178-S181 PolarHBondContact O-N 3.28Å; E178-S181 VanDerWaalsContact O-N 3.13Å; E178-S181 PolarHBondContact O-OG 3.01Å; Y179-S181 VanDerWaalsContact C-N 3.27Å; Y179-S181 PolarHBondContact O-N 3.08Å
182K53.7Low47.9Very low152 Ų152135.9 Ų135.966%0.66167%0.672SS**Hα-helixtrans-95-28.4-177-69.1174.3-1781640112.7E178 Y179E178-K182 PolarHBondContact O-N 3.33Å; E178-K182 VanDerWaalsContact O-N 3.11Å; E178-K182 IonicContact OE2-NZ 3.84Å; E178-K182 PolarHBondContact OE2-NZ 2.93Å; Y179-K182 PolarHBondContact O-N 2.83Å
183Y48.5Very low47.4Very low154 Ų154139.1 Ų139.160%0.60468%0.675SS**  trans-105.458.3173.5-58.6-79000109.9Y179 R185Y179-Y183 HydrophobicContact CD1-CD2 4.03Å; Y179-Y183 AromaticContact CD2-CD2 3.46Å; Y179-Y183 HydrophobicContact CD2-CD2 3.46Å; Y179-Y183 VanDerWaalsContact CD2-CD2 3.46Å; Y179-Y183 AromaticContact CD2-CE2 3.41Å; Y179-Y183 HydrophobicContact CD2-CE2 3.41Å; Y179-Y183 VanDerWaalsContact CD2-CE2 3.41Å; Y179-Y183 AromaticContact CE1-CD2 4Å; Y179-Y183 HydrophobicContact CE1-CD2 4Å; Y179-Y183 HydrophobicContact CE1-CG 4.46Å; Y179-Y183 AromaticContact CE2-CD2 3.42Å; Y179-Y183 HydrophobicContact CE2-CD2 3.42Å; Y179-Y183 VanDerWaalsContact CE2-CD2 3.42Å; Y179-Y183 AromaticContact CE2-CE2 3.31Å; Y179-Y183 HydrophobicContact CE2-CE2 3.31Å; Y179-Y183 HydrophobicContact CE2-CG 4.34Å; Y179-Y183 AromaticContact CG-CD2 3.77Å; Y179-Y183 HydrophobicContact CG-CD2 3.77Å; Y179-Y183 HydrophobicContact CG-CE2 4.18Å; Y179-Y183 AromaticContact CZ-CD2 3.69Å; Y179-Y183 WeakPolarHBondContact O-CB 3.36Å; Y179-Y183 VanDerWaalsContact O-CD2 3.29Å; Y179-Y183 WeakPolarHBondContact O-CD2 3.27Å; Y179-Y183 PolarHBondContact O-N 3.02Å; Y183-R185 PolarHBondContact O-N 3.16Å; Y183-R185 VanDerWaalsContact O-N 3.1Å
184L48.6Very low47.2Very low137 Ų137137.6 Ų137.672%0.71768%0.682SS**  trans-61.2113.9156.9-80.9166.7000106.3E186L184-E186 PolarHBondContact O-N 3.18Å
185R44.8Very low47.3Very low239 Ų239139.1 Ų139.190%0.90269%0.69SS**  trans-69.183.3158.9-133.4-169.6-157-173.76105Y183 P187Y183-R185 PolarHBondContact O-N 3.16Å; Y183-R185 VanDerWaalsContact O-N 3.1Å; R185-P187 VanDerWaalsContact O-CD 3.27Å; R185-P187 WeakPolarHBondContact O-CD 3.34Å; R185-P187 VanDerWaalsContact O-N 3.17Å
186E46.7Very low47.4Very low158 Ų158140.9 Ų140.974%0.73869%0.693SS**  trans-54.1119.5156.2-100.6170.4166.100105.2L184 L188L184-E186 PolarHBondContact O-N 3.18Å; E186-L188 VanDerWaalsContact C-N 3.29Å; E186-L188 PolarHBondContact O-N 3.22Å
187P44.5Very low46.9Very low118 Ų118144.5 Ų144.577%0.76671%0.71SS**  trans-58.2106166.5-1327.3000104.8R185 D189R185-P187 VanDerWaalsContact O-CD 3.27Å; R185-P187 WeakPolarHBondContact O-CD 3.34Å; R185-P187 VanDerWaalsContact O-N 3.17Å; P187-D189 PolarHBondContact O-N 3.27Å
188L40.1Very low46.6Very low156 Ų156147.3 Ų147.382%0.81773%0.73SS**  trans-57.5112.5164.9-90.2145.3000105E186 Q190E186-L188 VanDerWaalsContact C-N 3.29Å; E186-L188 PolarHBondContact O-N 3.22Å; L188-Q190 PolarHBondContact O-N 3.32Å
189D47.2Very low46.2Very low161 Ų161148.3 Ų148.386%0.86174%0.737SS**  trans-58.482.1162.4-85.7-26.2000107.2P187 P191P187-D189 PolarHBondContact O-N 3.27Å; D189-P191 WeakPolarHBondContact O-CD 3.48Å
190Q40.9Very low46.2Very low171 Ų171143.8 Ų143.880%0.79974%0.737SS**  trans-81.1120.2166.3-104.2-174.8-16.200106.9L188 D192L188-Q190 PolarHBondContact O-N 3.32Å; Q190-D192 PolarHBondContact O-N 2.86Å
191P42.9Very low46.3Very low97 Ų97144.2 Ų144.263%0.6376%0.755SS**  trans-64.8121.3171.724.6-29.6000109.1D189 F193D189-P191 WeakPolarHBondContact O-CD 3.48Å; P191-F193 HydrophobicContact CB-CD2 4.25Å; P191-F193 HydrophobicContact CB-CE2 4.08Å; P191-F193 HydrophobicContact CG-CD2 4.37Å; P191-F193 HydrophobicContact CG-CE2 4.26Å; P191-F193 WeakPolarHBondContact O-CD2 3.34Å; P191-F193 PolarHBondContact O-N 3.05Å; P191-F193 VanDerWaalsContact O-N 3.11Å
192D48.6Very low46Very low118 Ų118150.1 Ų150.163%0.63177%0.771SS**  trans-43.2107.3168.5-109-27000111.1Q190 Q195Q190-D192 PolarHBondContact O-N 2.86Å; D192-Q195 PolarHBondContact OD2-NE2 3.05Å
193F43.4Very low45.9Very low179 Ų179151.9 Ų151.979%0.78578%0.782SS**  trans-124.57.2170.9-87.3-69.8000114.9P191P191-F193 HydrophobicContact CB-CD2 4.25Å; P191-F193 HydrophobicContact CB-CE2 4.08Å; P191-F193 HydrophobicContact CG-CD2 4.37Å; P191-F193 HydrophobicContact CG-CE2 4.26Å; P191-F193 WeakPolarHBondContact O-CD2 3.34Å; P191-F193 PolarHBondContact O-N 3.05Å; P191-F193 VanDerWaalsContact O-N 3.11Å
194L46.3Very low45.4Very low173 Ų173148 Ų14891%0.90679%0.788SS**  trans-142.155174.1-69.8175.1000112.4
195Q49.3Very low45Very low145 Ų145146.5 Ų146.568%0.67879%0.789SS**  trans-92.1106.8151.9-69.8-167.620.300109.1D192D192-Q195 PolarHBondContact OD2-NE2 3.05Å
196K48.5Very low44.5Very low198 Ų198140.8 Ų140.886%0.86179%0.785SS**  trans179.488.8142.3-97.3162.1-169-174.30108.4
197N39.8Very low44.3Very low157 Ų157141.9 Ų141.984%0.8479%0.788SS**  trans-156.894.5141.1-85.2-23.3000105.3I199N197-I199 PolarHBondContact O-N 2.89Å
198S44.6Very low44.1Very low124 Ų124142.5 Ų142.587%0.86779%0.79SS**  trans-66.895.8173.554.10000108.5G200S198-G200 PolarHBondContact O-N 3.19Å
199I44.6Very low43.7Very low153 Ų153145.1 Ų145.179%0.78580%0.795SS**PPolyproline II helixtrans-67.5121.3164.2-65.8163.1000105.8N197N197-I199 PolarHBondContact O-N 2.89Å
200G48.3Very low43.1Very low58 Ų58146 Ų14660%0.59879%0.794SS**PPolyproline II helixtrans-55.8167.3-178.800000113.3S198 K202S198-G200 PolarHBondContact O-N 3.19Å; G200-K202 PolarHBondContact O-N 2.74Å
201A49.2Very low43Very low107 Ų107141.8 Ų141.888%0.88478%0.783SS**PPolyproline II helixtrans-49.3122.9-175.600000111.6E203A201-E203 PolarHBondContact O-N 3.19Å; A201-E203 VanDerWaalsContact O-N 3.09Å
202K45.7Very low42.5Very low198 Ų198149.2 Ų149.286%0.86180%0.799SS**  trans-65110.5170.7-76.6-169.2175.3-176.20108.2G200 G204G200-K202 PolarHBondContact O-N 2.74Å; K202-G204 PolarHBondContact O-N 3.34Å
203E50.5Low42Very low189 Ų189151 Ų15188%0.88380%0.803SS**  trans-60.5131.5167.9-154.9173-163.600108.5A201 S205A201-E203 PolarHBondContact O-N 3.19Å; A201-E203 VanDerWaalsContact O-N 3.09Å; E203-S205 PolarHBondContact O-N 3.06Å
204G39.3Very low41.5Very low71 Ų71146.1 Ų146.173%0.73279%0.791SS**  trans-65.3109.1-17600000110.5K202 S206K202-G204 PolarHBondContact O-N 3.34Å; G204-S206 PolarHBondContact O-N 2.85Å; G204-S206 VanDerWaalsContact O-N 3.13Å
205S39.2Very low41.3Very low107 Ų107144.2 Ų144.275%0.74879%0.789SS**  trans-59.3117163.1179.60000107.9E203 F207E203-S205 PolarHBondContact O-N 3.06Å; S205-F207 PolarHBondContact O-N 3.46Å
206S35.1Very low40.7Very low118 Ų118144.7 Ų144.783%0.82580%0.795SS**THydrogen-bonded Turntrans-70.714-169.850.40000115G204G204-S206 PolarHBondContact O-N 2.85Å; G204-S206 VanDerWaalsContact O-N 3.13Å
207F43.1Very low40.1Very low181 Ų181140.1 Ų140.179%0.79478%0.784SS**THydrogen-bonded Turntrans-104.53.2-169.4-123.9-89.2000117S205S205-F207 PolarHBondContact O-N 3.46Å
208T38.6Very low40.2Very low132 Ų132141.2 Ų141.281%0.8178%0.781SS**  trans-151.278.9169.426.80000111.8Q210T208-Q210 VanDerWaalsContact C-N 3.32Å; T208-Q210 PolarHBondContact O-N 2.98Å; T208-Q210 VanDerWaalsContact O-N 3.1Å
209K33.1Very low40.1Very low211 Ų211142 Ų14292%0.91777%0.771SS**  trans-77.288.3160.2-165.1178.3-175.5-179.40107.8S211K209-S211 PolarHBondContact O-N 3.41Å
210Q35.1Very low39.8Very low178 Ų178137.4 Ų137.483%0.83275%0.752SS**  trans-66.1103.7174-171.6175.413.600108.6T208 R212T208-Q210 VanDerWaalsContact C-N 3.32Å; T208-Q210 PolarHBondContact O-N 2.98Å; T208-Q210 VanDerWaalsContact O-N 3.1Å; Q210-R212 PolarHBondContact O-N 2.87Å
211S37.1Very low39.6Very low84 Ų84140.2 Ų140.259%0.58776%0.759SS**  trans-66.6122.8170.867.30000108K209 Q213K209-S211 PolarHBondContact O-N 3.41Å; S211-Q213 PolarHBondContact O-N 3.1Å
212R33Very low39.3Very low252 Ų252140 Ų14095%0.95175%0.751SS**  trans-78.350170.8-67.7-174.4176.7-177.9-0.6110.3Q210Q210-R212 PolarHBondContact O-N 2.87Å
213Q37.4Very low39.1Very low155 Ų155135.7 Ų135.772%0.72473%0.734SS**  trans-95.1120.3170.9-93.3172.4-17.900108.5S211S211-Q213 PolarHBondContact O-N 3.1Å
214S33.3Very low38.7Very low77 Ų77130 Ų13054%0.53872%0.719SS.*  trans-56.5131.7168.544.80000109.2I216S214-I216 PolarHBondContact O-N 3.09Å
215P43.1Very low38.7Very low133 Ų133133 Ų13386%0.86472%0.718SS**SBendtrans-69.88.9-177.328.4-35000114
216I36.6Very low38.5Very low155 Ų155134.3 Ų134.380%0.79572%0.724SS**  trans-122.672.7-179.5-47.4173.2000106.9S214S214-I216 PolarHBondContact O-N 3.09Å
217V35.9Very low38.8Very low103 Ų103132.3 Ų132.362%0.62472%0.722SS**  trans-120.8114161.4-178.80000105.8Q219V217-Q219 PolarHBondContact O-N 2.92Å
218F41.9Very low38.4Very low180 Ų180129.5 Ų129.579%0.78972%0.715SS**  trans-68.6110.4174.9-176.2-94.2000108.4
219Q41.5Very low38.6Very low139 Ų139128.4 Ų128.465%0.6571%0.71SS**  trans-86.8124.1167.6-93.1179.9-18.900108.9V217V217-Q219 PolarHBondContact O-N 2.92Å
220P39.8Very low38.7Very low58 Ų58121.3 Ų121.338%0.37769%0.691SS.*  trans-61.1145174.5-20.231.4000111.4S222 Q223P220-S222 PolarHBondContact O-N 3.01Å; P220-Q223 PolarHBondContact O-N 3.43Å
221P43.8Very low38.8Very low117 Ų117120.1 Ų120.176%0.7669%0.69SS**G310 helixtrans-57.7-17.9-177.4-23.731.7000115.2Q223P221-Q223 PolarHBondContact O-N 3.44Å
222S41.9Very low38.8Very low101 Ų101122.4 Ų122.471%0.70670%0.695SS**G310 helixtrans-75-5.4-179.154.10000114.6P220P220-S222 PolarHBondContact O-N 3.01Å
223Q42.7Very low38.8Very low109 Ų109116.8 Ų116.851%0.50969%0.691SS.*G310 helixtrans-1125.9-179.8-64.6-166.3-6.900114.4P220 P221 L225P220-Q223 PolarHBondContact O-N 3.43Å; P221-Q223 PolarHBondContact O-N 3.44Å; Q223-L225 PolarHBondContact O-N 2.94Å
224A40.4Very low38.8Very low69 Ų69112.7 Ų112.757%0.5769%0.69SS**  trans-84110.9174.200000110
225L40.3Very low38.8Very low134 Ų134115.5 Ų115.570%0.70270%0.695SS**  trans-64.4141.3167-79.5165.9000109.2Q223 G227 D228Q223-L225 PolarHBondContact O-N 2.94Å; L225-G227 PolarHBondContact O-N 3.42Å; L225-D228 PolarHBondContact O-N 3.17Å
226P34.8Very low38.2Very low134 Ų134112.4 Ų112.487%0.8768%0.676SS**THydrogen-bonded Turntrans-63.5105.2177.8-13.426.6000109.5
227G42.2Very low38.3Very low77 Ų77110.9 Ų110.979%0.79467%0.674SS**THydrogen-bonded Turntrans124.2-3.917700000116.1L225L225-G227 PolarHBondContact O-N 3.42Å
228D34.2Very low38.4Very low122 Ų122111.1 Ų111.165%0.65268%0.675SS**  trans-89.9119.1175.1-132.3-5.9000109.9L225 A230L225-D228 PolarHBondContact O-N 3.17Å; D228-A230 PolarHBondContact O-N 2.99Å
229P42Very low38.2Very low108 Ų108109 Ų10970%0.70167%0.666SS**  trans-74.782.5175.831.3-31.1000107.6L231P229-L231 PolarHBondContact O-N 2.85Å
230A35.9Very low38.2Very low63 Ų63106.2 Ų106.252%0.52166%0.662SS.*  trans-49.8113162.600000106.6D228 L232D228-A230 PolarHBondContact O-N 2.99Å; A230-L232 VanDerWaalsContact C-N 3.32Å; A230-L232 PolarHBondContact O-N 3.19Å
231L38.1Very low38.1Very low153 Ų153108.8 Ų108.880%0.80167%0.673SS**  trans-54.997.2-177.1-74163.7000108.5P229P229-L231 PolarHBondContact O-N 2.85Å
232L36.8Very low37.9Very low132 Ų132111.8 Ų111.869%0.69167%0.674SS**  trans-59.8131.9171.3-69172.9000107A230 G234A230-L232 VanDerWaalsContact C-N 3.32Å; A230-L232 PolarHBondContact O-N 3.19Å; L232-G234 PolarHBondContact O-N 3.46Å
233P31.8Very low38Very low134 Ų134113.9 Ų113.987%0.8768%0.676SS**THydrogen-bonded Turntrans-60.4110.618022.4-30.5000109.2
234G37.3Very low37.7Very low68 Ų68113 Ų11370%0.70168%0.68SS**THydrogen-bonded Turntrans134.4-2.8177.300000117.2L232L232-G234 PolarHBondContact O-N 3.46Å
235Q33.9Very low37.4Very low137 Ų137120 Ų12064%0.6470%0.698SS**  trans-95113.5170.2-96.1177.3-1.800111.1K239Q235-K239 HydrophobicContact CG-CD 4.47Å
236S31.6Very low37.5Very low68 Ų68118.4 Ų118.448%0.47669%0.694SS.*  trans-79.7147.7163.957.50000109.9T238 K239S236-T238 PolarHBondContact O-N 2.85Å; S236-T238 PolarHBondContact OG-OG1 3.18Å; S236-T238 VanDerWaalsContact OG-OG1 3.08Å; S236-K239 WeakPolarHBondContact O-CB 3.3Å; S236-K239 PolarHBondContact O-N 3.28Å
237V37.4Very low38Very low123 Ų123120.1 Ų120.175%0.74569%0.69SS**G310 helixtrans-54.3-25.7179.1-179.40000112.7K239 S240V237-K239 PolarHBondContact O-N 3.08Å; V237-S240 PolarHBondContact O-OG 3.1Å
238T37.6Very low38.2Very low107 Ų107123.2 Ų123.266%0.65669%0.688SS**G310 helixtrans-72.6-9.7176.456.70000115S236S236-T238 PolarHBondContact O-N 2.85Å; S236-T238 PolarHBondContact OG-OG1 3.18Å; S236-T238 VanDerWaalsContact OG-OG1 3.08Å
239K37.8Very low38.6Very low135 Ų135123.9 Ų123.959%0.58769%0.686SS**G310 helixtrans-86.1-19.8-178.2-117.7-176179.5-174.10113.4Q235 S236 V237Q235-K239 HydrophobicContact CG-CD 4.47Å; S236-K239 WeakPolarHBondContact O-CB 3.3Å; S236-K239 PolarHBondContact O-N 3.28Å; V237-K239 PolarHBondContact O-N 3.08Å
240S42.8Very low38.8Very low81 Ų81121.9 Ų121.957%0.56669%0.685SS**THydrogen-bonded Turntrans-80.1-27.5177.950.50000113.2V237V237-S240 PolarHBondContact O-OG 3.1Å
241D36.2Very low39.2Very low113 Ų113125.1 Ų125.160%0.60469%0.694SS**SBendtrans-91.1-16.4-165.6-59.8-7.4000112.9
242F40.1Very low39.7Very low179 Ų179122 Ų12279%0.78568%0.676SS**  trans-13077.5-179.2-66.1-82.8000110.6
243L43.6Very low40.4Very low145 Ų145121.3 Ų121.376%0.75968%0.682SS**  trans-74.1135.2163.7-66.6174.3000109.1K245L243-K245 PolarHBondContact O-N 2.76Å
244P36.4Very low41Very low91 Ų91121.5 Ų121.559%0.59168%0.675SS**  trans-59.1138.7168.925.1-31.3000109.3T246P244-T246 PolarHBondContact O-N 3.04Å
245K35Very low41.2Very low215 Ų215124.1 Ų124.194%0.93568%0.679SS**  trans-70.379.3171.7-80.6-177.3175.8179.50109.6L243L243-K245 PolarHBondContact O-N 2.76Å
246T42Very low41.7Very low102 Ų102124.2 Ų124.263%0.62669%0.689SS**  trans-81.1146.315947.70000108.5P244 L248P244-T246 PolarHBondContact O-N 3.04Å; T246-L248 PolarHBondContact O-N 3.49Å
247H45.4Very low42Very low169 Ų169127.1 Ų127.178%0.78270%0.698SS**  trans-59.6128.7174-72.273.6000108.3H249H247-H249 PolarHBondContact O-N 3.29Å; H247-H249 VanDerWaalsContact O-N 3.13Å
248L45.8Very low41.9Very low143 Ų143125.1 Ų125.175%0.74969%0.694SS**  trans-56.7115.1175-69.2174.3000107.8T246 G250 E252T246-L248 PolarHBondContact O-N 3.49Å; L248-G250 PolarHBondContact O-N 2.9Å; L248-E252 WeakPolarHBondContact CA-OE1 3.46Å; L248-E252 WeakPolarHBondContact CB-OE1 3.14Å; L248-E252 VanDerWaalsContact CD2-CD 3.41Å; L248-E252 HydrophobicContact CD2-CG 4.31Å; L248-E252 WeakPolarHBondContact CD2-OE1 3.48Å; L248-E252 VanDerWaalsContact CD2-OE2 3.31Å; L248-E252 WeakPolarHBondContact CD2-OE2 3.33Å
249H42.1Very low41.7Very low135 Ų135132.6 Ų132.663%0.62571%0.711SS**  trans-76.90.9-173.1-150.5-81.7000111.9H247 D251 E252H247-H249 PolarHBondContact O-N 3.29Å; H247-H249 VanDerWaalsContact O-N 3.13Å; H249-D251 IonicContact ND1-OD2 3.44Å; H249-D251 PolarHBondContact ND1-OD2 3.19Å; H249-D251 PolarHBondContact O-N 3.3Å; H249-E252 PolarHBondContact N-OE1 3.48Å
250G46.6Very low41.9Very low66 Ų66129.7 Ų129.768%0.6872%0.719SS**SBendtrans73.9-9.1176.800000114.2L248 E252L248-G250 PolarHBondContact O-N 2.9Å; G250-E252 PolarHBondContact N-OE1 3.35Å
251D45.6Very low41.6Very low131 Ų131129.6 Ų129.670%0.70172%0.718SS**  trans-97-2176.8-62.9-38000112.8H249H249-D251 IonicContact ND1-OD2 3.44Å; H249-D251 PolarHBondContact ND1-OD2 3.19Å; H249-D251 PolarHBondContact O-N 3.3Å
252E48.8Very low41.5Very low89 Ų89132.9 Ų132.942%0.41673%0.727SS.*SBendtrans-75.2128.1173.855.3-118.3130.300111.6L248 H249 G250 L254L248-E252 WeakPolarHBondContact CA-OE1 3.46Å; L248-E252 WeakPolarHBondContact CB-OE1 3.14Å; L248-E252 VanDerWaalsContact CD2-CD 3.41Å; L248-E252 HydrophobicContact CD2-CG 4.31Å; L248-E252 WeakPolarHBondContact CD2-OE1 3.48Å; L248-E252 VanDerWaalsContact CD2-OE2 3.31Å; L248-E252 WeakPolarHBondContact CD2-OE2 3.33Å; H249-E252 PolarHBondContact N-OE1 3.48Å; G250-E252 PolarHBondContact N-OE1 3.35Å; E252-L254 PolarHBondContact O-N 3.43Å
253S49.9Very low41.6Very low117 Ų117135 Ų13582%0.81873%0.73SS**  trans-63.5112.1174.558.70000109.5
254L45.1Very low41.2Very low138 Ų138136.2 Ų136.272%0.72373%0.732SS**  trans-56.6147.3174.8-65.7176000110.5E252 V256E252-L254 PolarHBondContact O-N 3.43Å; L254-V256 PolarHBondContact O-N 3.23Å
255P42.1Very low41.2Very low123 Ų123137.4 Ų137.480%0.79974%0.738SS**  trans-55.4113.2173.622.3-31.8000109L257P255-L257 PolarHBondContact O-N 3.19Å
256V44Very low41.2Very low139 Ų139131.7 Ų131.784%0.84273%0.73SS**  trans-67.9106.11791770000107.3L254 A258L254-V256 PolarHBondContact O-N 3.23Å; V256-A258 PolarHBondContact O-N 2.89Å
257L36.8Very low40.7Very low129 Ų129135.9 Ų135.968%0.67574%0.74SS**  trans-62.7119.8167-72.7172.4000107.7P255 R259P255-L257 PolarHBondContact O-N 3.19Å; L257-R259 PolarHBondContact O-N 3.24Å; L257-R259 VanDerWaalsContact O-N 3.16Å
258A36.6Very low40.4Very low80 Ų80133.7 Ų133.766%0.66174%0.744SS**  trans-48.7126.8171.300000109V256 G260 S261V256-A258 PolarHBondContact O-N 2.89Å; A258-G260 PolarHBondContact O-N 2.97Å; A258-S261 PolarHBondContact O-N 3.43Å
259R33.3Very low39.9Very low264 Ų264138.6 Ų138.6100%0.99675%0.752SS**THydrogen-bonded Turntrans-59.5103.8-179.8-156.9-178.5-168.6-137.54108L257L257-R259 PolarHBondContact O-N 3.24Å; L257-R259 VanDerWaalsContact O-N 3.16Å
260G42.3Very low39.3Very low74 Ų74135.8 Ų135.876%0.76376%0.76SS**THydrogen-bonded Turntrans133.42.8-17600000116.7A258 K262A258-G260 PolarHBondContact O-N 2.97Å; G260-K262 PolarHBondContact O-N 3.42Å
261S35.1Very low38.6Very low79 Ų79140.4 Ų140.455%0.55277%0.77SS**  trans-60.7116.9171.9165.50000111.4A258 R263A258-S261 PolarHBondContact O-N 3.43Å; S261-R263 PolarHBondContact O-N 3.07Å
262K35.7Very low38.2Very low182 Ų182143.3 Ų143.379%0.79178%0.779SS**  trans-62.7119.1172.1-75.5-178.6177.7179.50109.2G260 E264G260-K262 PolarHBondContact O-N 3.42Å; K262-E264 PolarHBondContact O-N 3.06Å
263R41.7Very low37.4Very low224 Ų224150.8 Ų150.885%0.84580%0.803SS**  trans-8591.2169.6-67.7-172.5179-157.6-0.2108.8S261 T265S261-R263 PolarHBondContact O-N 3.07Å; R263-T265 PolarHBondContact O-N 2.91Å
264E34.8Very low36.5Very low170 Ų170152.7 Ų152.779%0.79480%0.802SS**  trans-81.7108.8163.4-73.5-178-171.200108.2K262 A266K262-E264 PolarHBondContact O-N 3.06Å; E264-A266 PolarHBondContact O-N 3.41Å
265T37.2Very low35.8Very low117 Ų117153.8 Ų153.872%0.71881%0.808SS**  trans-75.6101.7175.448.40000109.1R263 F267R263-T265 PolarHBondContact O-N 2.91Å; T265-F267 VanDerWaalsContact C-N 3.34Å; T265-F267 PolarHBondContact O-N 2.96Å
266A33.7Very low35.2Very low94 Ų94155.3 Ų155.378%0.77781%0.81SS**  trans-75.884.2172.700000110.7E264E264-A266 PolarHBondContact O-N 3.41Å
267F32.7Very low34.8Very low191 Ų191154.2 Ų154.284%0.83881%0.805SS**  trans-123.893.7160.6-69-74.4000108.4T265 R269T265-F267 VanDerWaalsContact C-N 3.34Å; T265-F267 PolarHBondContact O-N 2.96Å; F267-R269 PolarHBondContact O-N 2.88Å
268S38.6Very low34.5Very low123 Ų123159.7 Ų159.786%0.8682%0.817SS**  trans-79.9115170.8-53.80000108.9
269R35.1Very low34.5Very low245 Ų245161.6 Ų161.693%0.92582%0.82SS**  trans-63.8132.4167.9-75.2-175.5173-161.2-1.7109.4F267 N271F267-R269 PolarHBondContact O-N 2.88Å; R269-N271 PolarHBondContact O-N 3.31Å
270G30.9Very low34.6Very low77 Ų77154 Ų15479%0.79481%0.805SS**  trans-60.4130.5174.800000111.5
271N30.5Very low34.3Very low163 Ų163156.3 Ų156.387%0.87281%0.807SS**  trans-122.5109.4165.6-119.9-9000106.7R269 R273R269-N271 PolarHBondContact O-N 3.31Å; N271-R273 PolarHBondContact O-N 3.21Å
272E36.7Very low34.2Very low191 Ų191158.7 Ų158.789%0.89382%0.82SS**  trans-68118.9172.2-62.9-174.3166.600108.9
273R31.8Very low33.8Very low246 Ų246155.8 Ų155.893%0.92882%0.821SS**  trans-127.5119.4160.6-97.1-171.2-177.2-177.81.5110.1N271N271-R273 PolarHBondContact O-N 3.21Å
274I31.2Very low33.5Very low157 Ų157150.6 Ų150.681%0.80582%0.817SS**  trans-60.6139.5-174.3-66.8157.2000111.7
275L30.8Very low33.5Very low161 Ų161150.9 Ų150.984%0.84382%0.818SS**  trans-68.1136.4172.8-65.6163.8000111.3
276N30.4Very low33.2Very low156 Ų156151.2 Ų151.283%0.83482%0.822SS**  trans-140.9116.6156-96.7-44.3000109.5
277P35.2Very low33Very low115 Ų115152.2 Ų152.275%0.74782%0.823SS**  trans-90.5121.1175.232.2-26.4000110
278R31.3Very low32.9Very low245 Ų245148.7 Ų148.793%0.92582%0.822SS**  trans-111.1101.7166.7-165.3169.7-175.6137.6-1108.9
279V35.1Very low32.8Very low120 Ų120149.3 Ų149.373%0.72782%0.821SS**PPolyproline II helixtrans-73.9137.2172.6173.70000109.7
280P36.3Very low32.6Very low103 Ų103142.8 Ų142.867%0.66981%0.813SS**PPolyproline II helixtrans-93148.7157.633.2-25.9000110.9
281P35.2Very low32.9Very low124 Ų124148 Ų14881%0.80582%0.816SS**PPolyproline II helixtrans-84.2141-175.733.6-31.8000111.8
282P33.5Very low33.1Very low129 Ų129148.3 Ų148.384%0.83881%0.812SS**PPolyproline II helixtrans-102.8138.9157.730-18.3000111
283C27.4Very low33.1Very low120 Ų120148 Ų14881%0.81181%0.81SS**  trans-141.4160.3171.4-163.20000106.4
284P36Very low33.2Very low115 Ų115145.8 Ų145.875%0.74781%0.808SS**  -114170.4-56.233.1-19000111.5
285E34.7Very low33.5Very low177 Ų177146.6 Ų146.683%0.82781%0.809SS**  trans-59.7155.6177.8-61.5-136.815000115.4
286P30.4Very low33.7Very low123 Ų123144.4 Ų144.480%0.79980%0.804SS**  trans-107.7116.4144.530.7-18.2000110.7
287S28.9Very low33.8Very low115 Ų115145.1 Ų145.180%0.80481%0.807SS**  trans-61136.9166.144.20000111.3
288S31.4Very low33.9Very low117 Ų117148.5 Ų148.582%0.81881%0.812SS**  trans-144.1121.8162.1-172.80000111.1
289V35.6Very low34.1Very low137 Ų137148.2 Ų148.283%0.8381%0.811SS**  trans-73.6127.1-178.2-87.10000111.7
290S31.2Very low34.1Very low107 Ų107150.9 Ų150.975%0.74882%0.818SS**  trans-146.196.9143.294.70000109.8Q292S290-Q292 PolarHBondContact O-N 2.78Å
291H38.5Very low34.2Very low187 Ų187155.1 Ų155.187%0.86683%0.829SS**  trans-72.8106.7160-102.7-84.8000107.1
292Q33.2Very low34.6Very low170 Ų170156.3 Ų156.379%0.79482%0.824SS**  trans-114.1108.5157-75.6-167.5-0.700108.4S290 F294S290-Q292 PolarHBondContact O-N 2.78Å; Q292-F294 PolarHBondContact O-N 2.72Å
293Q36.5Very low35.2Very low183 Ų183155.1 Ų155.186%0.85581%0.814SS**  trans-59.7114.6168.2-78167.9-56.100108.9Q295Q293-Q295 PolarHBondContact O-N 3.41Å
294F34.9Very low35.9Very low201 Ų201156 Ų15688%0.88281%0.811SS**  trans-70.6106.7161.7-102.5-95.2000108.4Q292 P296Q292-F294 PolarHBondContact O-N 2.72Å; F294-P296 WeakPolarHBondContact O-CD 3.44Å
295Q37.2Very low36.4Very low174 Ų174156.2 Ų156.281%0.81381%0.81SS**  trans-78.3120.2158.4-84.3-178.7-17.100108.1Q293 L297Q293-Q295 PolarHBondContact O-N 3.41Å; Q295-L297 PolarHBondContact O-N 2.88Å
296P35.2Very low36.7Very low114 Ų114151.7 Ų151.774%0.7480%0.802SS**  trans-70.8115.6171.526.6-29.2000109.1F294 H298F294-P296 WeakPolarHBondContact O-CD 3.44Å; P296-H298 PolarHBondContact O-N 3.24Å
297L32.8Very low37.4Very low171 Ų171152 Ų15290%0.89580%0.797SS**  trans-54.6120.7166.1-84.9155.8000108.9Q295 R299Q295-L297 PolarHBondContact O-N 2.88Å; L297-R299 PolarHBondContact O-N 3.06Å
298H36.8Very low38.1Very low187 Ų187153 Ų15387%0.86679%0.792SS**  trans-57.1102171.4-89.6-127.5000109.5P296 M300P296-H298 PolarHBondContact O-N 3.24Å; H298-M300 PolarHBondContact O-N 2.97Å; H298-M300 VanDerWaalsContact O-N 3.14Å
299R35.8Very low38.5Very low239 Ų239150.8 Ų150.890%0.90279%0.788SS**  trans-71106.4168.7-166.5177.9-169.3-178.33.4107.3L297 Q301L297-R299 PolarHBondContact O-N 3.06Å; R299-Q301 PolarHBondContact O-N 2.94Å; R299-Q301 VanDerWaalsContact O-N 3.1Å
300M35.6Very low38.9Very low176 Ų176156 Ų15687%0.86779%0.793SS**  trans-52.2120.2168.6-85.7-168.7163.900108.7H298 Q302H298-M300 PolarHBondContact O-N 2.97Å; H298-M300 VanDerWaalsContact O-N 3.14Å; M300-Q302 PolarHBondContact O-N 3.2Å
301Q37.4Very low39.4Very low192 Ų192159.3 Ų159.390%0.89780%0.796SS**  trans-7390.1-176.6-158.8175.741.400108.4R299 T303R299-Q301 PolarHBondContact O-N 2.94Å; R299-Q301 VanDerWaalsContact O-N 3.1Å; Q301-T303 PolarHBondContact O-N 3.05Å
302Q43.5Very low39.6Very low149 Ų149157 Ų15770%0.69680%0.796SS**  trans-63.4122.1169.2-72.7179.4-18.700108.3M300 N304M300-Q302 PolarHBondContact O-N 3.2Å; Q302-N304 PolarHBondContact O-N 2.93Å
303T45.9Very low39.9Very low103 Ų103155.2 Ų155.263%0.63280%0.796SS**  trans-60.7129.2176.949.20000109.8Q301 V305 A306Q301-T303 PolarHBondContact O-N 3.05Å; T303-V305 PolarHBondContact O-N 3.03Å; T303-A306 PolarHBondContact O-N 3.46Å
304N41.7Very low40.3Very low140 Ų140149.4 Ų149.475%0.74979%0.786SS**THydrogen-bonded Turntrans-48.7-16-176.5-81.2-45.9000115.8Q302 A306Q302-N304 PolarHBondContact O-N 2.93Å; N304-A306 VanDerWaalsContact C-N 3.34Å
305V47.1Very low40.6Very low119 Ų119150 Ų15072%0.72179%0.788SS**THydrogen-bonded Turntrans-70.6-27.9176.7-173.60000112.5T303T303-V305 PolarHBondContact O-N 3.03Å
306A41.2Very low40.9Very low81 Ų81150.5 Ų150.567%0.66979%0.787SS**THydrogen-bonded Turntrans-80.9-15.4-175.200000114.3T303 N304T303-A306 PolarHBondContact O-N 3.46Å; N304-A306 VanDerWaalsContact C-N 3.34Å
307L45.3Very low41.3Very low131 Ų131152.6 Ų152.669%0.68679%0.787SS**THydrogen-bonded Turntrans-89.3-11.8179.3-99.3135.4000113.7G309L307-G309 PolarHBondContact O-N 3.49Å
308L42.4Very low41.8Very low134 Ų134150.8 Ų150.870%0.70279%0.786SS**SBendtrans-88.886.3177.2-78153.2000108.7R310L308-R310 PolarHBondContact O-N 3.29Å; L308-R310 VanDerWaalsContact O-N 3.1Å
309G39.8Very low42Very low72 Ų72147.5 Ų147.574%0.74278%0.779SS**  trans-49117.9166.100000109.3L307 E311L307-G309 PolarHBondContact O-N 3.49Å; G309-E311 PolarHBondContact O-N 3.39Å
310R45.8Very low42.2Very low245 Ų245139.8 Ų139.893%0.92577%0.774SS**  trans-73.580.8175.9-70-174.5176.4-139.91.6108.7L308 T312L308-R310 PolarHBondContact O-N 3.29Å; L308-R310 VanDerWaalsContact O-N 3.1Å; R310-T312 PolarHBondContact O-N 2.94Å
311E41.6Very low42.7Very low177 Ų177137.5 Ų137.583%0.82776%0.76SS**  trans-77.6111.2163.8-96.6-178.616200109G309 V313G309-E311 PolarHBondContact O-N 3.39Å; E311-V313 PolarHBondContact O-N 3.42Å; E311-V313 VanDerWaalsContact O-N 3.09Å
312T42.4Very low42.8Very low140 Ų140133.3 Ų133.386%0.85975%0.751SS**  trans-71.598.8169.944.60000109.2R310 G314R310-T312 PolarHBondContact O-N 2.94Å; T312-G314 PolarHBondContact O-N 3.2Å
313V39.8Very low42.6Very low132 Ų132133.4 Ų133.480%0.876%0.756SS**PPolyproline II helixtrans-68.8122.5174.7-177.60000109.3E311E311-V313 PolarHBondContact O-N 3.42Å; E311-V313 VanDerWaalsContact O-N 3.09Å
314G44.3Very low42.1Very low61 Ų61135.8 Ų135.863%0.62977%0.765SS**PPolyproline II helixtrans-62.4169.9175.800000113.4T312 K316T312-G314 PolarHBondContact O-N 3.2Å; G314-K316 PolarHBondContact O-N 2.67Å; G314-K316 VanDerWaalsContact O-N 3.11Å
315K42Very low41.7Very low213 Ų213136.2 Ų136.293%0.92677%0.767SS**PPolyproline II helixtrans-59116.4-178.1-67.7-178.7-179.8174.40110.6
316K42.3Very low41.4Very low184 Ų184136.4 Ų136.480%0.877%0.771SS**PPolyproline II helixtrans-73.3126.2178.1-174.2177.7-179.8-178.50110.8G314G314-K316 PolarHBondContact O-N 2.67Å; G314-K316 VanDerWaalsContact O-N 3.11Å
317E44Very low41Very low158 Ų158141 Ų14174%0.73878%0.78SS**PPolyproline II helixtrans-77.4150.1172.4-66.2-157.116800112T319E317-T319 PolarHBondContact O-N 2.79Å
318P44Very low40.6Very low134 Ų134141.8 Ų141.887%0.8778%0.775SS**  trans-72.3112.7-175.427.9-32.7000111.8
319T39.8Very low40.4Very low117 Ų117141.7 Ų141.772%0.71878%0.78SS**  trans-91.4138.3167.853.50000110.1E317E317-T319 PolarHBondContact O-N 2.79Å
320G41Very low40.3Very low78 Ų78148.3 Ų148.380%0.80478%0.783SS**  trans-56171.3-161.100000118.9
321F44.5Very low40.1Very low128 Ų128141.2 Ų141.256%0.56177%0.771SS**  trans-114.8154-175.774.3-79.5000112.1H48 L323H48-F321 AromaticContact CD2-CE1 3.81Å; H48-F321 AromaticContact CE1-CE1 3.66Å; H48-F321 AromaticContact CE1-CZ 3.72Å; H48-F321 AromaticContact NE2-CE1 3.48Å; H48-F321 WeakPolarHBondContact NE2-CE1 3.11Å; H48-F321 AromaticContact NE2-CZ 3.49Å; H48-F321 WeakPolarHBondContact NE2-CZ 3.46Å; F321-L323 HydrophobicContact CD2-CD2 4.28Å; F321-L323 HydrophobicContact CD2-CG 4.24Å; F321-L323 HydrophobicContact CE2-CD1 4.28Å; F321-L323 HydrophobicContact CE2-CD2 3.63Å; F321-L323 HydrophobicContact CE2-CG 3.6Å
322S39.8Very low40Very low103 Ų103139 Ų13972%0.7277%0.772SS**  trans-108.1133.6168.151.80000110.4
323L39.1Very low39.8Very low151 Ų151137.2 Ų137.279%0.79176%0.764SS**PPolyproline II helixtrans-80.4126.2171.9-73168.4000109.6F321F321-L323 HydrophobicContact CD2-CD2 4.28Å; F321-L323 HydrophobicContact CD2-CG 4.24Å; F321-L323 HydrophobicContact CE2-CD1 4.28Å; F321-L323 HydrophobicContact CE2-CD2 3.63Å; F321-L323 HydrophobicContact CE2-CG 3.6Å
324N35.6Very low40.1Very low154 Ų154136 Ų13682%0.82475%0.753SS**PPolyproline II helixtrans-80.6151.8172.5-75.7-19.5000111.2
325N33.5Very low40.2Very low148 Ų148138.1 Ų138.179%0.79176%0.755SS**PPolyproline II helixtrans-55142.7-177.6-100.7-26.3000113.3M327N325-M327 VanDerWaalsContact C-N 3.26Å; N325-M327 PolarHBondContact O-N 3.29Å
326P41.1Very low40.5Very low123 Ų123135.3 Ų135.380%0.79975%0.751SS**SBendtrans-74.2-5.5-176.829.2-35.2000115.1Y328P326-Y328 PolarHBondContact O-N 3.31Å
327M32.6Very low40.7Very low178 Ų178133.2 Ų133.288%0.87774%0.738SS**  trans-89.180.7179.7-72.6-76.1-76.500110.3N325N325-M327 VanDerWaalsContact C-N 3.26Å; N325-M327 PolarHBondContact O-N 3.29Å
328Y38Very low40.8Very low147 Ų147133.2 Ų133.258%0.57674%0.743SS**  trans-107.2113.5172.1-168.1-91.9000109.9P326 R330 T344P326-Y328 PolarHBondContact O-N 3.31Å; Y328-R330 HydrophobicContact CD1-CG 4.37Å; Y328-R330 PolarHBondContact O-N 3.16Å; Y328-T344 PolarHBondContact OH-OG1 2.72Å
329V38.4Very low41.1Very low133 Ų133130.1 Ų130.181%0.80672%0.717SS**  trans-73.9113.8172.6179.20000108
330R37.7Very low41.3Very low210 Ų210132.9 Ų132.979%0.79271%0.714SS**PPolyproline II helixtrans-75.9127.2172.3-72-173.8176.4-171.7-0.8109.2Y328Y328-R330 HydrophobicContact CD1-CG 4.37Å; Y328-R330 PolarHBondContact O-N 3.16Å
331S39.6Very low41.6Very low97 Ų97139 Ų13968%0.67871%0.714SS**PPolyproline II helixtrans-61.8148.6163.5-63.80000110.1C333S331-C333 PolarHBondContact O-N 3.49Å
332P39.8Very low41.5Very low130 Ų130135.6 Ų135.684%0.84470%0.702SS**PPolyproline II helixtrans-54.2130.3177.5-21.731.1000110.9
333C37.9Very low41.9Very low103 Ų103134.2 Ų134.270%0.69669%0.689SS**PPolyproline II helixtrans-75.3124.1-179.7-66.90000110S331S331-C333 PolarHBondContact O-N 3.49Å
334D46.8Very low42.5Very low105 Ų105131 Ų13156%0.56168%0.676SS**PPolyproline II helixtrans-87.6117.2168-165-13.7000108.6D336 R337D334-D336 VanDerWaalsContact C-N 3.27Å; D334-D336 PolarHBondContact O-N 3.33Å; D334-R337 PolarHBondContact O-N 3.33Å
335P45.7Very low42.9Very low106 Ų106129.9 Ų129.969%0.68866%0.661SS**THydrogen-bonded Turntrans-69.1-16.9-170.625.5-33.9000115
336D49.3Very low43.6Very low155 Ų155124.7 Ų124.783%0.82963%0.633SS**THydrogen-bonded Turntrans-90.20-178.3-84.1-20.7000114.5D334D334-D336 VanDerWaalsContact C-N 3.27Å; D334-D336 PolarHBondContact O-N 3.33Å
337R46.5Very low44Very low140 Ų140124.4 Ų124.453%0.52862%0.621SS.*  trans-99.9126.4172.7-86.9-171.3170.3-153.35.9111.3D334 Q339D334-R337 PolarHBondContact O-N 3.33Å; R337-Q339 HydrophobicContact CB-CB 4.24Å; R337-Q339 HydrophobicContact CB-CG 4.28Å; R337-Q339 PolarHBondContact O-N 3.27Å
338D45.8Very low44.7Very low158 Ų158118 Ų11885%0.84560%0.6SS**SBendtrans-61.413.8168.3-80.4-28.4000114.6
339Q49.8Very low45.2Very low69 Ų69116 Ų11632%0.32259%0.592SS.*  trans-100.819.8-170.4-59-170.3-13.600113.3R337 Y341 L342R337-Q339 HydrophobicContact CB-CB 4.24Å; R337-Q339 HydrophobicContact CB-CG 4.28Å; R337-Q339 PolarHBondContact O-N 3.27Å; Q339-Y341 PolarHBondContact O-N 3.49Å; Q339-L342 HydrophobicContact CB-CD1 3.73Å; Q339-L342 HydrophobicContact CG-CD1 3.67Å; Q339-L342 PolarHBondContact O-N 2.81Å; Q339-L342 VanDerWaalsContact O-N 3.13Å
340R44.3Very low45.5Very low174 Ų174115.4 Ų115.466%0.65758%0.579SS**THydrogen-bonded Turntrans-59.1-12-175.5-65.7-172.9-73.3-167.8-5115.3
341Y46.8Very low46Very low206 Ų206112.6 Ų112.681%0.80858%0.575SS**THydrogen-bonded Turntrans-123.55.4-178-53.9-74.9000114.1Q339Q339-Y341 PolarHBondContact O-N 3.49Å
342L43.3Very low46.7Very low58 Ų58113.1 Ų113.130%0.30457%0.57SS.*  trans-84.8121.4-179.8-73.5161.2000109.7Q339 N346 F350Q339-L342 HydrophobicContact CB-CD1 3.73Å; Q339-L342 HydrophobicContact CG-CD1 3.67Å; Q339-L342 PolarHBondContact O-N 2.81Å; Q339-L342 VanDerWaalsContact O-N 3.13Å; L342-N346 HydrophobicContact CB-CB 4.23Å; L342-N346 HydrophobicContact CD2-CB 3.41Å; L342-N346 VanDerWaalsContact CD2-CB 3.41Å; L342-N346 HydrophobicContact CG-CB 4.41Å; L342-F350 HydrophobicContact CD1-CE2 4.35Å; L342-F350 HydrophobicContact CD2-CD2 4.35Å; L342-F350 HydrophobicContact CD2-CE2 4.19Å
343T49.2Very low47.3Very low74 Ų74110.2 Ų110.245%0.45455%0.547SS..  trans-68157.1169.357.50000109.8Y345 N346 Q347T343-Y345 PolarHBondContact O-N 3.16Å; T343-Y345 VanDerWaalsContact O-N 3.08Å; T343-N346 WeakPolarHBondContact O-CB 3.41Å; T343-N346 PolarHBondContact O-N 3.2Å; T343-N346 PolarHBondContact OG1-ND2 3.05Å; T343-Q347 PolarHBondContact O-N 3.18Å
344T50Low48Very low84 Ų84108.1 Ų108.152%0.51553%0.532SS..Hα-helixtrans-52.8-29.3172.923.10000112.7Y328 Q347Y328-T344 PolarHBondContact OH-OG1 2.72Å; T344-Q347 WeakPolarHBondContact O-CB 3.21Å; T344-Q347 PolarHBondContact O-N 3.36Å
345Y44.3Very low48.3Very low130 Ų130111 Ų11151%0.5154%0.54SS..Hα-helixtrans-57.5-47.5171.1-173.7-96.8000111.6T343 Q347 G348 Y349T343-Y345 PolarHBondContact O-N 3.16Å; T343-Y345 VanDerWaalsContact O-N 3.08Å; Y345-Q347 PolarHBondContact O-N 3.24Å; Y345-G348 PolarHBondContact O-N 3.35Å; Y345-Y349 HydrophobicContact CD1-CD2 4.12Å; Y345-Y349 HydrophobicContact CD1-CE2 4.49Å; Y345-Y349 HydrophobicContact CD2-CD2 4.25Å; Y345-Y349 AromaticContact CD2-CE2 3.83Å; Y345-Y349 HydrophobicContact CD2-CE2 3.83Å; Y345-Y349 AromaticContact CE1-CD2 3.91Å; Y345-Y349 HydrophobicContact CE1-CD2 3.91Å; Y345-Y349 HydrophobicContact CE1-CE2 4.21Å; Y345-Y349 HydrophobicContact CE2-CD2 4.04Å; Y345-Y349 AromaticContact CE2-CE2 3.49Å; Y345-Y349 HydrophobicContact CE2-CE2 3.49Å; Y345-Y349 VanDerWaalsContact CE2-CE2 3.49Å; Y345-Y349 HydrophobicContact CG-CD2 4.28Å; Y345-Y349 HydrophobicContact CG-CE2 4.32Å; Y345-Y349 AromaticContact CZ-CD2 3.86Å; Y345-Y349 AromaticContact CZ-CE2 3.7Å; Y345-Y349 WeakPolarHBondContact O-CD2 3.26Å
346N47.8Very low48.9Very low39 Ų39108.6 Ų108.621%0.20953%0.534CS..Hα-helixtrans-69.2-23.2-178.6-60.1-30.3000113.1L342 T343 G348 Y349 F350L342-N346 HydrophobicContact CB-CB 4.23Å; L342-N346 HydrophobicContact CD2-CB 3.41Å; L342-N346 VanDerWaalsContact CD2-CB 3.41Å; L342-N346 HydrophobicContact CG-CB 4.41Å; T343-N346 WeakPolarHBondContact O-CB 3.41Å; T343-N346 PolarHBondContact O-N 3.2Å; T343-N346 PolarHBondContact OG1-ND2 3.05Å; N346-G348 VanDerWaalsContact C-N 3.31Å; N346-G348 PolarHBondContact O-N 3.11Å; N346-Y349 PolarHBondContact O-N 3.18Å; N346-F350 WeakPolarHBondContact O-CB 3.36Å; N346-F350 PolarHBondContact O-N 3.04Å
347Q50.1Low49Very low117 Ų117107.7 Ų107.755%0.54753%0.529SS..Hα-helixtrans-68-28.6174.5-110.6163.411.100113T343 T344 Y345T343-Q347 PolarHBondContact O-N 3.18Å; T344-Q347 WeakPolarHBondContact O-CB 3.21Å; T344-Q347 PolarHBondContact O-N 3.36Å; Y345-Q347 PolarHBondContact O-N 3.24Å
348G48.4Very low49Very low42 Ų42107.3 Ų107.343%0.43354%0.537SS..Hα-helixtrans-83-20.517700000114.8Y345 N346Y345-G348 PolarHBondContact O-N 3.35Å; N346-G348 VanDerWaalsContact C-N 3.31Å; N346-G348 PolarHBondContact O-N 3.11Å
349Y47.1Very low49.4Very low106 Ų106104.9 Ų104.942%0.41652%0.516SS..Hα-helixtrans-1224.8-171.6-59.6-73.5000114.3Y345 N346Y345-Y349 HydrophobicContact CD1-CD2 4.12Å; Y345-Y349 HydrophobicContact CD1-CE2 4.49Å; Y345-Y349 HydrophobicContact CD2-CD2 4.25Å; Y345-Y349 AromaticContact CD2-CE2 3.83Å; Y345-Y349 HydrophobicContact CD2-CE2 3.83Å; Y345-Y349 AromaticContact CE1-CD2 3.91Å; Y345-Y349 HydrophobicContact CE1-CD2 3.91Å; Y345-Y349 HydrophobicContact CE1-CE2 4.21Å; Y345-Y349 HydrophobicContact CE2-CD2 4.04Å; Y345-Y349 AromaticContact CE2-CE2 3.49Å; Y345-Y349 HydrophobicContact CE2-CE2 3.49Å; Y345-Y349 VanDerWaalsContact CE2-CE2 3.49Å; Y345-Y349 HydrophobicContact CG-CD2 4.28Å; Y345-Y349 HydrophobicContact CG-CE2 4.32Å; Y345-Y349 AromaticContact CZ-CD2 3.86Å; Y345-Y349 AromaticContact CZ-CE2 3.7Å; Y345-Y349 WeakPolarHBondContact O-CD2 3.26Å; N346-Y349 PolarHBondContact O-N 3.18Å
350F45.8Very low49.6Very low121 Ų121108 Ų10853%0.53153%0.531SS..SBendtrans-62.6154.2171.7-141.3-98.9000110.4L342 N346 N352L342-F350 HydrophobicContact CD1-CE2 4.35Å; L342-F350 HydrophobicContact CD2-CD2 4.35Å; L342-F350 HydrophobicContact CD2-CE2 4.19Å; N346-F350 WeakPolarHBondContact O-CB 3.36Å; N346-F350 PolarHBondContact O-N 3.04Å; F350-N352 VanDerWaalsContact O-CG 3.24Å; F350-N352 PolarHBondContact O-N 3.22Å; F350-N352 PolarHBondContact O-OD1 3.18Å; F350-N352 VanDerWaalsContact O-OD1 3.13Å
351E48.7Very low49.8Very low150 Ų150102.3 Ų102.370%0.70153%0.526SS*.  trans-56.1102-176.5-71.1-177.9164.100112.3I353E351-I353 PolarHBondContact O-N 3.1Å
352N53.7Low49.7Very low108 Ų108101.8 Ų101.858%0.57852%0.523SS*.  trans-8822.3179.2-62.6-35.1000112.7F350 P354F350-N352 VanDerWaalsContact O-CG 3.24Å; F350-N352 PolarHBondContact O-N 3.22Å; F350-N352 PolarHBondContact O-OD1 3.18Å; F350-N352 VanDerWaalsContact O-OD1 3.13Å; N352-P354 WeakPolarHBondContact O-CD 3.47Å
353I53.1Low49.9Very low69 Ų69102.8 Ų102.835%0.35453%0.531SS..  trans-70.5113.9-179.8-57.9175.4000107.2E351 K355E351-I353 PolarHBondContact O-N 3.1Å; I353-K355 PolarHBondContact O-N 3.44Å
354P51.7Low49.5Very low60 Ų60109.3 Ų109.339%0.3955%0.548SS..  trans-61.4132.9178.724.6-31.9000109.4N352 D358 R359N352-P354 WeakPolarHBondContact O-CD 3.47Å; P354-D358 HydrophobicContact CB-CB 4.02Å; P354-R359 WeakPolarHBondContact O-CD 3.47Å
355K53.6Low49.3Very low165 Ų165109.8 Ų109.872%0.71757%0.569SS**  trans-110.7146.8-179.8-61.7-177.6-176.9176.10109.2I353I353-K355 PolarHBondContact O-N 3.44Å
356G57.9Low49Very low56 Ų56106.6 Ų106.658%0.57758%0.576SS**G310 helixtrans69.2-140.2176.900000114D358 R359G356-D358 PolarHBondContact O-N 3.05Å; G356-R359 WeakPolarHBondContact O-CB 3.26Å; G356-R359 PolarHBondContact O-N 3.13Å
357L50.2Low48.8Very low136 Ų136112.8 Ų112.871%0.71261%0.607SS**G310 helixtrans-58.2-31.5-175.8-78162000113.5R359 E360L357-R359 PolarHBondContact O-N 3.39Å; L357-R359 VanDerWaalsContact O-N 3.13Å; L357-E360 WeakPolarHBondContact O-CB 3.42Å; L357-E360 PolarHBondContact O-N 2.99Å
358D48.5Very low48.5Very low132 Ų132114.2 Ų114.271%0.70661%0.614SS**G310 helixtrans-66.3-15.8178.9-65.7-23.9000113P354 G356P354-D358 HydrophobicContact CB-CB 4.02Å; G356-D358 PolarHBondContact O-N 3.05Å
359R53.6Low48.4Very low107 Ų107117.3 Ų117.340%0.40463%0.626SS.*G310 helixtrans-86.1-15175.4-167.4172.8150.2127.4-17.2113.1K15 P354 G356 L357 G361K15-R359 PolarHBondContact O-NH1 3.45Å; K15-R359 PolarHBondContact O-NH2 3.47Å; P354-R359 WeakPolarHBondContact O-CD 3.47Å; G356-R359 WeakPolarHBondContact O-CB 3.26Å; G356-R359 PolarHBondContact O-N 3.13Å; L357-R359 PolarHBondContact O-N 3.39Å; L357-R359 VanDerWaalsContact O-N 3.13Å; R359-G361 PolarHBondContact O-N 3.21Å
360E53.8Low48.2Very low135 Ų135120.8 Ų120.863%0.63165%0.646SS**SBendtrans-79-5.4177.2-56.8-177.8-178.600112.1L357 W362L357-E360 WeakPolarHBondContact O-CB 3.42Å; L357-E360 PolarHBondContact O-N 2.99Å; E360-W362 VanDerWaalsContact C-N 3.26Å; E360-W362 PolarHBondContact O-N 3.13Å; E360-W362 VanDerWaalsContact O-N 3.1Å
361G48.8Very low48.2Very low54 Ų54121.1 Ų121.156%0.55765%0.653SS**THydrogen-bonded Turntrans-75.313.2-172.300000117.4R359R359-G361 PolarHBondContact O-N 3.21Å
362W45.2Very low47.9Very low194 Ų194118.9 Ų118.974%0.73565%0.651SS**THydrogen-bonded Turntrans-93.312.6-175.4-100.352.3000115.7E360E360-W362 VanDerWaalsContact C-N 3.26Å; E360-W362 PolarHBondContact O-N 3.13Å; E360-W362 VanDerWaalsContact O-N 3.1Å
363T46.8Very low47.1Very low79 Ų79115.8 Ų115.849%0.48564%0.644SS.*SBendtrans-129.114.2-175.745.30000115.3L7L7-T363 HydrophobicContact CD1-CG2 4.01Å; L7-T363 WeakPolarHBondContact CD1-OG1 3.43Å; L7-T363 HydrophobicContact CD2-CG2 3.85Å; L7-T363 HydrophobicContact CG-CG2 4.48Å
364R41.4Very low46.4Very low212 Ų212115.6 Ų115.680%0.866%0.66SS**SBendtrans-121.7130.1161.3-82.9-178.8167.8178-6.1107.1G366R364-G366 PolarHBondContact O-N 2.87Å
365G44.2Very low45.9Very low94 Ų94122.5 Ų122.597%0.96968%0.679SS**  trans-62.961.9177.500000112.7
366G38Very low45.1Very low63 Ų63117.1 Ų117.165%0.64967%0.666SS**PPolyproline II helixtrans-86122.8174.500000108.2R364 Q368R364-G366 PolarHBondContact O-N 2.87Å; G366-Q368 PolarHBondContact O-N 3.31Å; G366-Q368 VanDerWaalsContact O-N 3.14Å
367I43.4Very low44.2Very low168 Ų168121.1 Ų121.186%0.86267%0.673SS**PPolyproline II helixtrans-56.3116.4163.1-63164000106.2P369I367-P369 WeakPolarHBondContact O-CD 3.36Å
368Q44.5Very low43.4Very low148 Ų148119 Ų11969%0.69267%0.67SS**PPolyproline II helixtrans-66123.8176.5-167.4172.57.100107.7G366 Q370G366-Q368 PolarHBondContact O-N 3.31Å; G366-Q368 VanDerWaalsContact O-N 3.14Å; Q368-Q370 PolarHBondContact O-N 2.99Å
369P46.6Very low42.9Very low106 Ų106120.8 Ų120.869%0.68867%0.674SS**PPolyproline II helixtrans-60130.9174.522.1-29.2000108.5I367 I371I367-P369 WeakPolarHBondContact O-CD 3.36Å; P369-I371 PolarHBondContact O-N 2.79Å; P369-I371 VanDerWaalsContact O-N 3.1Å
370Q42.4Very low42Very low179 Ų179120.6 Ų120.684%0.83669%0.686SS**PPolyproline II helixtrans-59.4116.7178.8-174.1176.811.100108.7Q368 P372Q368-Q370 PolarHBondContact O-N 2.99Å; Q370-P372 WeakPolarHBondContact O-CD 3.48Å
371I46.5Very low41.2Very low129 Ų129120.3 Ų120.366%0.66269%0.693SS**PPolyproline II helixtrans-70.6121.3171.9-58.2172.8000106.4P369 G373P369-I371 PolarHBondContact O-N 2.79Å; P369-I371 VanDerWaalsContact O-N 3.1Å; I371-G373 PolarHBondContact O-N 2.81Å
372P42.3Very low40.7Very low103 Ų103122.3 Ų122.367%0.66970%0.699SS**  trans-65.7107.5178.224.4-30.5000108.9Q370 A376Q370-P372 WeakPolarHBondContact O-CD 3.48Å; P372-A376 HydrophobicContact CB-CB 4.21Å
373G36.3Very low40.2Very low42 Ų42117.9 Ų117.943%0.43370%0.697SS.*  trans-70.8164171.600000111.1I371 Y375 A376I371-G373 PolarHBondContact O-N 2.81Å; G373-Y375 PolarHBondContact O-N 3.25Å; G373-A376 WeakPolarHBondContact O-CA 3.36Å; G373-A376 WeakPolarHBondContact O-CB 3.47Å; G373-A376 PolarHBondContact O-N 3.11Å
374G39.3Very low39.8Very low66 Ų66122 Ų12268%0.6871%0.712SS**THydrogen-bonded Turntrans-58.2-14.1178.600000115.1
375Y40.7Very low39.8Very low204 Ų204120 Ų12080%0.871%0.712SS**THydrogen-bonded Turntrans-89.5-11.3172.4-61-78.1000114G373G373-Y375 PolarHBondContact O-N 3.25Å
376A36Very low40Very low52 Ų52119.8 Ų119.843%0.4370%0.701SS.*SBendtrans-86.76.9170.500000112.4P372 G373 S378P372-A376 HydrophobicContact CB-CB 4.21Å; G373-A376 WeakPolarHBondContact O-CA 3.36Å; G373-A376 WeakPolarHBondContact O-CB 3.47Å; G373-A376 PolarHBondContact O-N 3.11Å; A376-S378 PolarHBondContact O-N 3.43Å
377L38.9Very low40.6Very low140 Ų140120.1 Ų120.173%0.73370%0.698SS**  trans-90.854.7159-61.4174.7000108.9Q379L377-Q379 PolarHBondContact O-N 2.91Å
378S35Very low41.3Very low92 Ų92116 Ų11664%0.64368%0.682SS**SBendtrans-56.2121.9139.953.90000104.1A376A376-S378 PolarHBondContact O-N 3.43Å
379Q36.7Very low42.2Very low170 Ų170113 Ų11379%0.79467%0.671SS**  trans-27.5130173.8-68171.9-28.900109.3L377 V381L377-Q379 PolarHBondContact O-N 2.91Å; Q379-V381 VanDerWaalsContact C-N 3.27Å; Q379-V381 PolarHBondContact O-N 2.89Å
380P35.5Very low43.1Very low102 Ų102109.8 Ų109.866%0.66265%0.65SS**  trans-49.9106.9171.221-30.3000105.9S382P380-S382 PolarHBondContact O-N 3.09Å
381V37.7Very low44.2Very low129 Ų129103.4 Ų103.478%0.78262%0.623SS**  trans-57.8100.8164.31690000101Q379 C383Q379-V381 VanDerWaalsContact C-N 3.27Å; Q379-V381 PolarHBondContact O-N 2.89Å; V381-C383 VanDerWaalsContact C-N 3.32Å; V381-C383 PolarHBondContact O-N 3.18Å
382S36.8Very low45.4Very low97 Ų97102.5 Ų102.568%0.67862%0.616SS**  trans284.517959.20000111P380 M384P380-S382 PolarHBondContact O-N 3.09Å; S382-M384 PolarHBondContact O-N 3.34Å
383C36Very low46.7Very low101 Ų10199.6 Ų99.668%0.68260%0.598SS**  trans-58.2110.814841.70000101.2V381 E385V381-C383 VanDerWaalsContact C-N 3.32Å; V381-C383 PolarHBondContact O-N 3.18Å; C383-E385 PolarHBondContact O-N 3.1Å
384M38.7Very low48.5Very low165 Ų16599.2 Ų99.281%0.81359%0.586SS**  trans-54.7101.1161.6-81.6-168.187.800102.6S382 A386S382-M384 PolarHBondContact O-N 3.34Å; M384-A386 PolarHBondContact O-N 2.96Å; M384-A386 VanDerWaalsContact O-N 3.11Å
385E41.2Very low50.1Low170 Ų170105 Ų10579%0.79459%0.587SS**  trans-42.4124.2159.6-166.7169.2-154.200104.2C383 A387C383-E385 PolarHBondContact O-N 3.1Å; E385-A387 PolarHBondContact O-N 3.09Å
386A48.2Very low51.8Low90 Ų90103 Ų10374%0.74459%0.585SS**PPolyproline II helixtrans-46.8118.2-175.600000106.3M384M384-A386 PolarHBondContact O-N 2.96Å; M384-A386 VanDerWaalsContact O-N 3.11Å
387A50.7Low53.8Low70 Ų70104.2 Ų104.258%0.57958%0.584SS**PPolyproline II helixtrans-46.4120.9-16800000107.6E385 N389E385-A387 PolarHBondContact O-N 3.09Å; A387-N389 PolarHBondContact O-N 3.35Å; A387-N389 VanDerWaalsContact O-N 3.09Å
388P57.3Low55.8Low82 Ų82103.6 Ų103.653%0.53258%0.577SS.*PPolyproline II helixtrans-54.2126.6-170.219.4-31.4000107.3P390P388-P390 WeakPolarHBondContact O-CD 3.38Å
389N63.9Low58Low84 Ų84103.1 Ų103.145%0.44957%0.572SS.*PPolyproline II helixtrans-54.9120.3-175.7179.8-11.6000107.4A387 T391 E392 S393A387-N389 PolarHBondContact O-N 3.35Å; A387-N389 VanDerWaalsContact O-N 3.09Å; N389-T391 PolarHBondContact O-N 3.01Å; N389-T391 WeakPolarHBondContact OD1-CB 3.15Å; N389-T391 PolarHBondContact OD1-N 2.8Å; N389-T391 VanDerWaalsContact OD1-N 3.16Å; N389-T391 PolarHBondContact OD1-OG1 3.1Å; N389-E392 HydrophobicContact CB-CB 4.07Å; N389-E392 WeakPolarHBondContact O-CA 3.49Å; N389-E392 WeakPolarHBondContact O-CB 3.39Å; N389-E392 PolarHBondContact O-N 3.14Å; N389-S393 PolarHBondContact O-N 2.78Å
390P64Low60Low38 Ų38101.1 Ų101.125%0.24756%0.562CS.*Hα-helixtrans-56.9-29.9-174.420.4-32.2000111.5P388 E392 L394 F411 Y412P388-P390 WeakPolarHBondContact O-CD 3.38Å; P390-E392 VanDerWaalsContact C-N 3.34Å; P390-E392 PolarHBondContact O-N 2.96Å; P390-L394 WeakPolarHBondContact O-CG 3.48Å; P390-L394 PolarHBondContact O-N 3.4Å; P390-F411 HydrophobicContact CB-CD1 4.44Å; P390-F411 HydrophobicContact CB-CE1 4.15Å; P390-Y412 HydrophobicContact CB-CD1 3.79Å; P390-Y412 HydrophobicContact CB-CE1 4.14Å
391T66.4Low62.2Low46 Ų4699.5 Ų99.528%0.28255%0.55SS.*Hα-helixtrans-68.3-30.8175.3-38.50000112.9N389 R395N389-T391 PolarHBondContact O-N 3.01Å; N389-T391 WeakPolarHBondContact OD1-CB 3.15Å; N389-T391 PolarHBondContact OD1-N 2.8Å; N389-T391 VanDerWaalsContact OD1-N 3.16Å; N389-T391 PolarHBondContact OD1-OG1 3.1Å; T391-R395 WeakPolarHBondContact O-CG 3.46Å; T391-R395 PolarHBondContact O-N 3.21Å
392E71.1Confident64.3Low110 Ų11093.8 Ų93.851%0.51452%0.518SS..Hα-helixtrans-75.5-40.2179.8-165166.9-161.600111.2N389 P390 L394 R395 H396N389-E392 HydrophobicContact CB-CB 4.07Å; N389-E392 WeakPolarHBondContact O-CA 3.49Å; N389-E392 WeakPolarHBondContact O-CB 3.39Å; N389-E392 PolarHBondContact O-N 3.14Å; P390-E392 VanDerWaalsContact C-N 3.34Å; P390-E392 PolarHBondContact O-N 2.96Å; E392-L394 VanDerWaalsContact C-N 3.28Å; E392-L394 PolarHBondContact O-N 3Å; E392-R395 WeakPolarHBondContact O-CB 3.35Å; E392-R395 PolarHBondContact O-N 2.6Å; E392-R395 VanDerWaalsContact O-N 3.16Å; E392-H396 PolarHBondContact O-CD2 3.26Å
393S69.6Low66.3Low42 Ų4297.4 Ų97.429%0.29452%0.517SS..Hα-helixtrans-60.6-34.6173.1-60.60000112.9N389N389-S393 PolarHBondContact O-N 2.78Å
394L74.5Confident68.6Low34 Ų3496.3 Ų96.318%0.17851%0.507CS..Hα-helixtrans-73.8-24.2177.7-67.7174.1000113.7P390 E392 H396 L397 L405 Y412P390-L394 WeakPolarHBondContact O-CG 3.48Å; P390-L394 PolarHBondContact O-N 3.4Å; E392-L394 VanDerWaalsContact C-N 3.28Å; E392-L394 PolarHBondContact O-N 3Å; L394-H396 VanDerWaalsContact C-N 3.26Å; L394-H396 PolarHBondContact O-N 2.85Å; L394-L397 HydrophobicContact CD2-CD1 4.34Å; L394-L397 PolarHBondContact O-N 3.13Å; L394-L405 HydrophobicContact CD2-CB 4.25Å; L394-L405 HydrophobicContact CD2-CD1 4.36Å; L394-Y412 HydrophobicContact CD1-CD1 4.02Å; L394-Y412 HydrophobicContact CD2-CD1 3.92Å; L394-Y412 HydrophobicContact CD2-CE1 4.36Å; L394-Y412 HydrophobicContact CD2-CG 4.43Å; L394-Y412 HydrophobicContact CG-CD1 3.82Å; L394-Y412 HydrophobicContact CG-CE1 4.35Å
395R73.6Confident70.6Confident187 Ų18791.3 Ų91.371%0.70648%0.483SS*.Hα-helixtrans-68.2-25.5-177.4-74.8171.1-174.2-169.70.5113.4T391 E392T391-R395 WeakPolarHBondContact O-CG 3.46Å; T391-R395 PolarHBondContact O-N 3.21Å; E392-R395 WeakPolarHBondContact O-CB 3.35Å; E392-R395 PolarHBondContact O-N 2.6Å; E392-R395 VanDerWaalsContact O-N 3.16Å
396H75.4Confident72.5Confident163 Ų16385.4 Ų85.476%0.75546%0.459SS*.THydrogen-bonded Turntrans-90-3.1179.1-60.4-63.3000113.1E392 L394E392-H396 PolarHBondContact O-CD2 3.26Å; L394-H396 VanDerWaalsContact C-N 3.26Å; L394-H396 PolarHBondContact O-N 2.85Å
397L78.7Confident73.8Confident77 Ų7784.6 Ų84.640%0.40345%0.447SS..SBendtrans-99.3153.9-178.3-64.8176.3000112.2L394 L405L394-L397 HydrophobicContact CD2-CD1 4.34Å; L394-L397 PolarHBondContact O-N 3.13Å; L397-L405 HydrophobicContact CD1-CD1 3.63Å
398H81.1Confident75.2Confident126 Ų12685.2 Ų85.258%0.58345%0.453SS*.  trans-61.4139.3174.8-173.6-98.2000110.6H400 V401 G402H398-H400 PolarHBondContact O-N 3.18Å; H398-V401 HydrophobicContact CB-CG2 4.23Å; H398-V401 WeakPolarHBondContact O-CA 3.38Å; H398-V401 WeakPolarHBondContact O-CB 3.42Å; H398-V401 PolarHBondContact O-N 3.06Å; H398-G402 PolarHBondContact O-N 3.13Å
399P81.1Confident76.1Confident82 Ų8284.3 Ų84.353%0.53244%0.443SS..Hα-helixtrans-55.3-34.6-170.3-29.435.2000115.1R403P399-R403 VanDerWaalsContact O-CG 3.26Å; P399-R403 WeakPolarHBondContact O-CG 3.32Å; P399-R403 PolarHBondContact O-N 3.11Å
400H78.7Confident76.5Confident129 Ų12985 Ų8560%0.59745%0.452SS*.Hα-helixtrans-67.1-39.1175.5-96.3-78.3000112.9H398 T404H398-H400 PolarHBondContact O-N 3.18Å; H400-T404 PolarHBondContact O-N 3.24Å; H400-T404 PolarHBondContact O-OG1 3.28Å
401V81.6Confident77Confident67 Ų6788.9 Ų88.941%0.40647%0.466SS..Hα-helixtrans-71.5-41.2-179.7-179.30000110.4H398 R403 T404 L405H398-V401 HydrophobicContact CB-CG2 4.23Å; H398-V401 WeakPolarHBondContact O-CA 3.38Å; H398-V401 WeakPolarHBondContact O-CB 3.42Å; H398-V401 PolarHBondContact O-N 3.06Å; V401-R403 PolarHBondContact O-N 3.48Å; V401-T404 WeakPolarHBondContact CA-OG1 3.49Å; V401-T404 PolarHBondContact O-N 3.05Å; V401-T404 PolarHBondContact O-OG1 3Å; V401-L405 HydrophobicContact CG1-CD1 4.06Å; V401-L405 WeakPolarHBondContact O-CG 3.44Å; V401-L405 PolarHBondContact O-N 3.28Å
402G82.1Confident77.3Confident10 Ų1089.3 Ų89.310%0.10346%0.462CS..Hα-helixtrans-59.7-45.8175.400000112.2H398 T404 L405 T406H398-G402 PolarHBondContact O-N 3.13Å; G402-T404 PolarHBondContact O-N 3.2Å; G402-L405 PolarHBondContact O-N 3.1Å; G402-T406 PolarHBondContact O-N 3.41Å; G402-T406 PolarHBondContact O-OG1 2.93Å; G402-T406 VanDerWaalsContact O-OG1 3.07Å
403R78.9Confident77.2Confident173 Ų17391.3 Ų91.365%0.65347%0.465SS*.Hα-helixtrans-61.5-41.1177.7-72.6172-176.2178.71.6113.1P399 V401 S407P399-R403 VanDerWaalsContact O-CG 3.26Å; P399-R403 WeakPolarHBondContact O-CG 3.32Å; P399-R403 PolarHBondContact O-N 3.11Å; V401-R403 PolarHBondContact O-N 3.48Å; R403-S407 WeakPolarHBondContact O-CB 3.17Å; R403-S407 PolarHBondContact O-N 3.4Å; R403-S407 PolarHBondContact O-OG 3.23Å
404T83.9Confident77Confident78 Ų7895.3 Ų95.348%0.47948%0.483SS..Hα-helixtrans-64.3-42.9176.843.30000111.5H400 V401 G402 S407 A408H400-T404 PolarHBondContact O-N 3.24Å; H400-T404 PolarHBondContact O-OG1 3.28Å; V401-T404 WeakPolarHBondContact CA-OG1 3.49Å; V401-T404 PolarHBondContact O-N 3.05Å; V401-T404 PolarHBondContact O-OG1 3Å; G402-T404 PolarHBondContact O-N 3.2Å; T404-S407 PolarHBondContact O-N 3.14Å; T404-S407 PolarHBondContact O-OG 3.02Å; T404-A408 WeakPolarHBondContact O-CB 3.22Å; T404-A408 PolarHBondContact O-N 3.1Å
405L80.3Confident76.2Confident59 Ų5997.6 Ų97.631%0.30951%0.507SS..Hα-helixtrans-64.7-45178.9-69.6171.1000111.8L394 L397 V401 G402 S407 A408 D409L394-L405 HydrophobicContact CD2-CB 4.25Å; L394-L405 HydrophobicContact CD2-CD1 4.36Å; L397-L405 HydrophobicContact CD1-CD1 3.63Å; V401-L405 HydrophobicContact CG1-CD1 4.06Å; V401-L405 WeakPolarHBondContact O-CG 3.44Å; V401-L405 PolarHBondContact O-N 3.28Å; G402-L405 PolarHBondContact O-N 3.1Å; L405-S407 VanDerWaalsContact C-N 3.25Å; L405-S407 PolarHBondContact O-N 3.48Å; L405-A408 PolarHBondContact O-N 3.33Å; L405-D409 WeakPolarHBondContact O-CB 3.29Å; L405-D409 PolarHBondContact O-N 3.23Å
406T80.7Confident75.1Confident47 Ų4794.4 Ų94.429%0.28851%0.511SS..Hα-helixtrans-61.4-32.7174.2-54.70000112.7G402 Y412 R413G402-T406 PolarHBondContact O-N 3.41Å; G402-T406 PolarHBondContact O-OG1 2.93Å; G402-T406 VanDerWaalsContact O-OG1 3.07Å; T406-Y412 WeakPolarHBondContact CG2-O 3.45Å; T406-R413 HydrophobicContact CG2-CG 4.39Å; T406-R413 WeakPolarHBondContact O-CG 3.41Å; T406-R413 PolarHBondContact O-NE 3.2Å
407S76.9Confident73.5Confident72 Ų7295.5 Ų95.550%0.50352%0.516SS..Hα-helixtrans-77.3-39.7-179.775.30000113.1R403 T404 L405 R413R403-S407 WeakPolarHBondContact O-CB 3.17Å; R403-S407 PolarHBondContact O-N 3.4Å; R403-S407 PolarHBondContact O-OG 3.23Å; T404-S407 PolarHBondContact O-N 3.14Å; T404-S407 PolarHBondContact O-OG 3.02Å; L405-S407 VanDerWaalsContact C-N 3.25Å; L405-S407 PolarHBondContact O-N 3.48Å; S407-R413 PolarHBondContact O-NH2 3.49Å
408A78.9Confident71.8Confident84 Ų8497.4 Ų97.469%0.69454%0.535SS*.Hα-helixtrans-88.9-33.7-172.800000113.1T404 L405T404-A408 WeakPolarHBondContact O-CB 3.22Å; T404-A408 PolarHBondContact O-N 3.1Å; L405-A408 PolarHBondContact O-N 3.33Å
409D76.9Confident70.1Confident62 Ų6295.8 Ų95.833%0.33254%0.538SS..  trans-112.6116.5-174.7-170.7-12000111.3L405 F411 Y412L405-D409 WeakPolarHBondContact O-CB 3.29Å; L405-D409 PolarHBondContact O-N 3.23Å; D409-F411 PolarHBondContact O-N 2.64Å; D409-F411 WeakPolarHBondContact OD1-CB 3.36Å; D409-F411 PolarHBondContact OD1-N 3.38Å; D409-Y412 HydrophobicContact CB-CD2 4.02Å; D409-Y412 PolarHBondContact O-N 3.35Å
410P72.3Confident67.9Low98 Ų98102.7 Ų102.764%0.63655%0.554SS**G310 helixtrans-57.5-24.6174.9-22.332.8000114.2Y412 R413P410-Y412 PolarHBondContact O-N 3.14Å; P410-R413 PolarHBondContact O-N 2.91Å
411F74.3Confident65.8Low121 Ų121106.4 Ų106.453%0.53157%0.569SS.*G310 helixtrans-62.8-30.3178.6-178.3-98.5000112.8P390 D409P390-F411 HydrophobicContact CB-CD1 4.44Å; P390-F411 HydrophobicContact CB-CE1 4.15Å; D409-F411 PolarHBondContact O-N 2.64Å; D409-F411 WeakPolarHBondContact OD1-CB 3.36Å; D409-F411 PolarHBondContact OD1-N 3.38Å
412Y72.1Confident63.5Low55 Ų55109.9 Ų109.922%0.21658%0.582CS.*G310 helixtrans-97.96.8180-70.1-78.1000113.7P390 L394 T406 D409 P410P390-Y412 HydrophobicContact CB-CD1 3.79Å; P390-Y412 HydrophobicContact CB-CE1 4.14Å; L394-Y412 HydrophobicContact CD1-CD1 4.02Å; L394-Y412 HydrophobicContact CD2-CD1 3.92Å; L394-Y412 HydrophobicContact CD2-CE1 4.36Å; L394-Y412 HydrophobicContact CD2-CG 4.43Å; L394-Y412 HydrophobicContact CG-CD1 3.82Å; L394-Y412 HydrophobicContact CG-CE1 4.35Å; T406-Y412 WeakPolarHBondContact CG2-O 3.45Å; D409-Y412 HydrophobicContact CB-CD2 4.02Å; D409-Y412 PolarHBondContact O-N 3.35Å; P410-Y412 PolarHBondContact O-N 3.14Å
413R70.4Confident61.2Low152 Ų152114.1 Ų114.157%0.57462%0.616SS**SBendtrans-85.6125.1175.1-72.8-171.6-177.4-174.44.3110.2T406 S407 P410 A415T406-R413 HydrophobicContact CG2-CG 4.39Å; T406-R413 WeakPolarHBondContact O-CG 3.41Å; T406-R413 PolarHBondContact O-NE 3.2Å; S407-R413 PolarHBondContact O-NH2 3.49Å; P410-R413 PolarHBondContact O-N 2.91Å; R413-A415 PolarHBondContact O-N 3.21Å; R413-A415 VanDerWaalsContact O-N 3.1Å
414D63.6Low59.1Low125 Ų125113.2 Ų113.267%0.66862%0.619SS**  trans-62.9112.9167.5-70.8-26.3000108.7P416D414-P416 WeakPolarHBondContact O-CD 3.48Å
415A58.3Low56.7Low82 Ų82118.3 Ų118.368%0.67866%0.658SS**  trans-68.2121.6170.600000108.2R413 H417R413-A415 PolarHBondContact O-N 3.21Å; R413-A415 VanDerWaalsContact O-N 3.1Å; A415-H417 PolarHBondContact O-N 3.2Å; A415-H417 VanDerWaalsContact O-N 3.14Å
416P50Low55.5Low121 Ų121121.3 Ų121.379%0.78668%0.675SS**  trans-63.6123174.125.4-31.1000108D414 S418D414-P416 WeakPolarHBondContact O-CD 3.48Å; P416-S418 PolarHBondContact O-N 3.25Å
417H42.6Very low54.2Low185 Ų185125.2 Ų125.286%0.85670%0.696SS**  trans-55.297.3174.5-67-69.8000110.2A415 S419A415-H417 PolarHBondContact O-N 3.2Å; A415-H417 VanDerWaalsContact O-N 3.14Å; H417-S419 VanDerWaalsContact C-N 3.28Å; H417-S419 PolarHBondContact O-N 3.19Å
418S43.5Very low53Low117 Ų117128.2 Ų128.282%0.81871%0.706SS**  trans-76.385.6165.2178.60000108.1P416P416-S418 PolarHBondContact O-N 3.25Å
419S44.3Very low51.4Low92 Ų92130.8 Ų130.864%0.64371%0.707SS**  trans-143.883.916366.10000108.9H417H417-S419 VanDerWaalsContact C-N 3.28Å; H417-S419 PolarHBondContact O-N 3.19Å
420R36.1Very low49.9Very low227 Ų227135.1 Ų135.186%0.85773%0.731SS**  trans-177.373.9152.5-98.8164.3-161.2-161.67.2109.6M422R420-M422 PolarHBondContact O-N 3.43Å
421F33.5Very low48.4Very low208 Ų208137.5 Ų137.591%0.91274%0.737SS**  trans-81.296.5140.8-96.4-86.2000105.7
422M33.4Very low46.5Very low140 Ų140138.7 Ų138.769%0.6975%0.752SS**  trans-88.3101.8154.5-77.8-160.6176.600106.3R420 H424R420-M422 PolarHBondContact O-N 3.43Å; M422-H424 PolarHBondContact O-N 3.37Å
423A34.6Very low44.5Very low98 Ų98145.2 Ų145.281%0.8179%0.793SS**  trans-71.7109.4155.600000106.6
424H33.6Very low42.4Very low154 Ų154144.6 Ų144.671%0.71381%0.811SS**  trans-110.7122.6155.8-85.3-73.1000107.2M422M422-H424 PolarHBondContact O-N 3.37Å
425S34.9Very low40.4Very low186 Ų186146.4 Ų146.4100%1.30182%0.824SS**  trans4.30154.654.60000118.4

Retrieved 425 of 425 residues in 91 ms (Link to these results)