A0A077ZD20_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZD20, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 385 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
1M28.4Very low25.3Very low241 Ų241169.1 Ų169.1100%1.18779%0.792SS**  088.30-81.9-177.116400108.2
2N26.6Very low25.2Very low119 Ų119173.6 Ų173.664%0.63680%0.796SS**  trans-121.3102.8174.6-81.7-27.3000107.1D223N2-D223 PolarHBondContact ND2-OD2 3.38Å
3G24.2Very low25.3Very low76 Ų76166.7 Ų166.778%0.78480%0.802SS**  trans-77.5121.4-176.500000110.8Q5G3-Q5 PolarHBondContact O-N 2.86Å; G3-Q5 VanDerWaalsContact O-N 3.08Å
4Y23.4Very low25.3Very low209 Ų209166.4 Ų166.482%0.8280%0.799SS**  trans-65106.7166.4-75.1-87.8000109.1H6Y4-H6 PolarHBondContact O-N 2.83Å; Y4-H6 VanDerWaalsContact O-N 3.15Å
5Q23.7Very low25.3Very low157 Ų157163.1 Ų163.173%0.73479%0.793SS**  trans-72.9100.2165.3-81.8-175.4-17.600108.7G3 F7G3-Q5 PolarHBondContact O-N 2.86Å; G3-Q5 VanDerWaalsContact O-N 3.08Å; Q5-F7 HydrophobicContact CB-CE2 4.29Å; Q5-F7 PolarHBondContact O-N 3.12Å; Q5-F7 VanDerWaalsContact O-N 3.15Å
6H24.1Very low25.4Very low175 Ų175157.8 Ų157.881%0.8178%0.784SS**  trans-67.9105.6164.2-73.2-77.3000109.2Y4 K8Y4-H6 PolarHBondContact O-N 2.83Å; Y4-H6 VanDerWaalsContact O-N 3.15Å; H6-K8 PolarHBondContact O-N 2.87Å
7F23.3Very low25.3Very low179 Ų179162.1 Ų162.179%0.78579%0.789SS**  trans-73.291.6167.6-78-86.4000109.6Q5 R9Q5-F7 HydrophobicContact CB-CE2 4.29Å; Q5-F7 PolarHBondContact O-N 3.12Å; Q5-F7 VanDerWaalsContact O-N 3.15Å; F7-R9 PolarHBondContact O-N 3Å
8K24.9Very low25.5Very low176 Ų176159.8 Ų159.877%0.76577%0.774SS**  trans-73.8101.4161-98.4-176174.6-179.40108.4H6H6-K8 PolarHBondContact O-N 2.87Å
9R26.7Very low25.5Very low200 Ų200156.1 Ų156.176%0.75576%0.764SS**  trans-83.6114.8165-103.4-177.8172.6-174.2-2.9108.7F7 F11F7-R9 PolarHBondContact O-N 3Å; R9-F11 PolarHBondContact O-N 2.86Å
10F25.2Very low25.5Very low185 Ų185153.4 Ų153.481%0.81176%0.757SS**  trans-74.7111.6166.6-69.9-88000108.6R12F10-R12 PolarHBondContact O-N 3.32Å
11F27.9Very low25.5Very low143 Ų143152.7 Ų152.763%0.62776%0.756SS**  trans-78.3109.2163.6-78.4-85.9000108.2R9 G13R9-F11 PolarHBondContact O-N 2.86Å; F11-G13 PolarHBondContact O-N 3.28Å
12R24.5Very low25.4Very low223 Ų223147.9 Ų147.984%0.84274%0.735SS**  trans-63.6117.9160.1-83-172.2173-168.5-0.9106.9F10 E14F10-R12 PolarHBondContact O-N 3.32Å; R12-E14 PolarHBondContact O-N 3.16Å
13G25.8Very low25.4Very low84 Ų84145.7 Ų145.787%0.86673%0.734SS**THydrogen-bonded Turntrans-64.628.5-165.900000117.9F11F11-G13 PolarHBondContact O-N 3.28Å
14E26.1Very low25.5Very low163 Ų163147 Ų14776%0.76272%0.722SS**THydrogen-bonded Turntrans-111.4-6.3-175.3-67.8-176.3151.200114.3R12R12-E14 PolarHBondContact O-N 3.16Å
15T25.2Very low25.6Very low117 Ų117142.6 Ų142.672%0.71872%0.719SS**  trans-106.4-2.6-168.846.80000115.9R17T15-R17 VanDerWaalsContact C-N 3.34Å; T15-R17 PolarHBondContact O-N 3.29Å
16A26Very low25.5Very low77 Ų77140.8 Ų140.864%0.63672%0.724SS**  trans-91.461.4174.400000111.6
17R24.8Very low25.6Very low232 Ų232135.9 Ų135.988%0.87571%0.709SS**  trans-86.3112.1166.3-72.8-171.3179.2-178.51.2108.6T15T15-R17 VanDerWaalsContact C-N 3.34Å; T15-R17 PolarHBondContact O-N 3.29Å
18F27.8Very low25.5Very low120 Ų120132.1 Ų132.153%0.52671%0.705SS.*  trans-53.7142.6162-77.7-92.2000108.6T20 I48F18-T20 PolarHBondContact O-N 3.36Å; F18-I48 HydrophobicContact CE1-CD1 4.35Å
19P26.5Very low25.5Very low90 Ų90130.6 Ų130.658%0.58471%0.705SS**  trans-52.5115.6169.821-29.5000107.3A23P19-A23 HydrophobicContact CB-CB 4.33Å
20T25.5Very low25.4Very low102 Ų102129 Ų12963%0.62670%0.701SS**  trans-53142.417217.50000107.5F18 N22 A23F18-T20 PolarHBondContact O-N 3.36Å; T20-N22 PolarHBondContact O-N 3.46Å; T20-A23 WeakPolarHBondContact O-CB 3.43Å; T20-A23 PolarHBondContact O-N 3.1Å
21L25.9Very low25.4Very low138 Ų138128 Ų12872%0.72369%0.693SS**G310 helixtrans-47.6-21.4176.5-82145000113.3A23 L24L21-A23 VanDerWaalsContact C-N 3.28Å; L21-A23 PolarHBondContact O-N 3.03Å; L21-L24 HydrophobicContact CD2-CD1 3.89Å; L21-L24 WeakPolarHBondContact O-CB 3.49Å; L21-L24 PolarHBondContact O-N 3Å
22N26.1Very low25.4Very low141 Ų141127.6 Ų127.675%0.75470%0.697SS**G310 helixtrans-72.3-11.8176-56.9-3.9000114.9T20 L24T20-N22 PolarHBondContact O-N 3.46Å; N22-L24 VanDerWaalsContact C-N 3.34Å
23A26Very low25.5Very low73 Ų73121.6 Ų121.660%0.60368%0.678SS**G310 helixtrans-91.82173.600000112.4P19 T20 L21P19-A23 HydrophobicContact CB-CB 4.33Å; T20-A23 WeakPolarHBondContact O-CB 3.43Å; T20-A23 PolarHBondContact O-N 3.1Å; L21-A23 VanDerWaalsContact C-N 3.28Å; L21-A23 PolarHBondContact O-N 3.03Å
24L26.6Very low25.4Very low103 Ų103121.9 Ų121.954%0.53966%0.66SS.*SBendtrans-80.7136.3168.4-66.8165.7000108.5L21 N22 S26L21-L24 HydrophobicContact CD2-CD1 3.89Å; L21-L24 WeakPolarHBondContact O-CB 3.49Å; L21-L24 PolarHBondContact O-N 3Å; N22-L24 VanDerWaalsContact C-N 3.34Å; L24-S26 PolarHBondContact O-N 2.72Å; L24-S26 VanDerWaalsContact O-N 3.14Å
25P24.7Very low25.4Very low116 Ų116119 Ų11975%0.75365%0.653SS**  trans-53.4124.2178.420-30.2000109.6S27P25-S27 VanDerWaalsContact C-N 3.27Å; P25-S27 PolarHBondContact O-N 3.21Å
26S22.8Very low25.3Very low119 Ų119115.3 Ų115.383%0.83264%0.635SS**  trans-65.786173.853.70000109L24 S28L24-S26 PolarHBondContact O-N 2.72Å; L24-S26 VanDerWaalsContact O-N 3.14Å; S26-S28 PolarHBondContact O-N 3.45Å; S26-S28 VanDerWaalsContact O-N 3.09Å
27S25.1Very low25.2Very low72 Ų72115.6 Ų115.650%0.50363%0.625SS.*  trans-79.890.1174.156.90000108.9P25P25-S27 VanDerWaalsContact C-N 3.27Å; P25-S27 PolarHBondContact O-N 3.21Å
28S22.4Very low25.2Very low101 Ų101109.9 Ų109.971%0.70661%0.612SS**  trans-60135.7155.646.40000108.6S26S26-S28 PolarHBondContact O-N 3.45Å; S26-S28 VanDerWaalsContact O-N 3.09Å
29N23.6Very low25.1Very low144 Ų144106.4 Ų106.477%0.7760%0.602SS**SBendtrans63.779.8171.9-59.4-23.9000116.8
30Y25Very low25.1Very low167 Ų167105.2 Ų105.266%0.65559%0.593SS**  trans-167.999.3146.9-99.7-73.2000110.1D32 H33Y30-D32 PolarHBondContact O-N 3.48Å; Y30-H33 WeakPolarHBondContact CB-CD2 3.35Å; Y30-H33 AromaticContact CG-CD2 3.71Å; Y30-H33 PolarHBondContact O-N 2.69Å
31Y25.4Very low25.1Very low164 Ų164103 Ų10364%0.64358%0.581SS**THydrogen-bonded Turntrans-60.7-10.7-178.4-113.4-84.7000114.5R365Y31-R365 PolarHBondContact OH-NE 3.04Å; Y31-R365 PolarHBondContact OH-NH2 3.44Å
32D28.1Very low25.1Very low133 Ų133104.9 Ų104.971%0.71158%0.578SS**THydrogen-bonded Turntrans-95.7-19175.9-85.8-37.7000114.2Y30Y30-D32 PolarHBondContact O-N 3.48Å
33H26.1Very low25.2Very low97 Ų97106.8 Ų106.845%0.44958%0.575SS.*Hα-helixtrans-82.5-21.2179.1-71.9-41.6000113Y30 A36 N37Y30-H33 WeakPolarHBondContact CB-CD2 3.35Å; Y30-H33 AromaticContact CG-CD2 3.71Å; Y30-H33 PolarHBondContact O-N 2.69Å; H33-A36 PolarHBondContact O-N 3.43Å; H33-N37 WeakPolarHBondContact O-CB 3.32Å; H33-N37 VanDerWaalsContact O-CG 3.32Å; H33-N37 PolarHBondContact O-N 3.01Å; H33-N37 PolarHBondContact O-ND2 3Å
34D24Very low25.4Very low91 Ų91106.4 Ų106.449%0.48756%0.562SS.*Hα-helixtrans-67.1-36.2175.1-76.5-26.9000112.5L38D34-L38 VanDerWaalsContact O-CB 3.25Å; D34-L38 WeakPolarHBondContact O-CB 3.22Å; D34-L38 WeakPolarHBondContact O-CD1 3.26Å; D34-L38 WeakPolarHBondContact O-CG 3.46Å; D34-L38 PolarHBondContact O-N 3.39Å
35V25.2Very low25.5Very low102 Ų102105.4 Ų105.462%0.61856%0.561SS**Hα-helixtrans-71.4-40.5175.4-177.50000110.5S39V35-S39 WeakPolarHBondContact O-CB 3.2Å; V35-S39 PolarHBondContact O-N 3.1Å
36A23.1Very low25.9Very low40 Ų40104.5 Ų104.533%0.33155%0.546SS..Hα-helixtrans-64.5-45.3175.100000111.3H33 S39 V40H33-A36 PolarHBondContact O-N 3.43Å; A36-S39 PolarHBondContact O-N 3.03Å; A36-S39 PolarHBondContact O-OG 3.5Å; A36-V40 WeakPolarHBondContact O-CB 3.31Å; A36-V40 WeakPolarHBondContact O-CG2 3.45Å; A36-V40 PolarHBondContact O-N 3.19Å
37N25Very low26.6Very low83 Ų83101.9 Ų101.944%0.44453%0.527SS..Hα-helixtrans-68.8-35.5178.4-78.2-23.3000112.7H33 V40 C41H33-N37 WeakPolarHBondContact O-CB 3.32Å; H33-N37 VanDerWaalsContact O-CG 3.32Å; H33-N37 PolarHBondContact O-N 3.01Å; H33-N37 PolarHBondContact O-ND2 3Å; N37-V40 PolarHBondContact O-N 2.95Å; N37-C41 WeakPolarHBondContact O-CB 3.23Å; N37-C41 PolarHBondContact O-N 2.98Å; N37-C41 PolarHBondContact O-SG 3.39Å; N37-C41 VanDerWaalsContact O-SG 3.36Å
38L24.7Very low27.2Very low112 Ų112100.3 Ų100.359%0.58651%0.512SS*.Hα-helixtrans-67.1-37.1170.1-82.7161000112D34 R42D34-L38 VanDerWaalsContact O-CB 3.25Å; D34-L38 WeakPolarHBondContact O-CB 3.22Å; D34-L38 WeakPolarHBondContact O-CD1 3.26Å; D34-L38 WeakPolarHBondContact O-CG 3.46Å; D34-L38 PolarHBondContact O-N 3.39Å; L38-R42 VanDerWaalsContact O-CB 3.3Å; L38-R42 WeakPolarHBondContact O-CB 3.47Å; L38-R42 WeakPolarHBondContact O-CG 3.44Å; L38-R42 PolarHBondContact O-N 3.43Å
39S25.2Very low27.9Very low47 Ų4797.3 Ų97.333%0.32950%0.497SS..Hα-helixtrans-68.5-38.4175.285.90000111.9V35 A36 R42 R43V35-S39 WeakPolarHBondContact O-CB 3.2Å; V35-S39 PolarHBondContact O-N 3.1Å; A36-S39 PolarHBondContact O-N 3.03Å; A36-S39 PolarHBondContact O-OG 3.5Å; S39-R42 PolarHBondContact O-N 3.36Å; S39-R43 WeakPolarHBondContact O-CB 3.4Å; S39-R43 VanDerWaalsContact O-CG 3.23Å; S39-R43 WeakPolarHBondContact O-CG 3.38Å; S39-R43 PolarHBondContact O-N 3.02Å
40V26Very low28.7Very low64 Ų6493 Ų9339%0.38847%0.474SS..Hα-helixtrans-71.4-44.7177.91690000109.9A36 N37 R42 R43 I44A36-V40 WeakPolarHBondContact O-CB 3.31Å; A36-V40 WeakPolarHBondContact O-CG2 3.45Å; A36-V40 PolarHBondContact O-N 3.19Å; N37-V40 PolarHBondContact O-N 2.95Å; V40-R42 PolarHBondContact O-N 3.15Å; V40-R43 CarbonylContact O-C 3.46Å; V40-R43 PolarHBondContact O-N 3.46Å; V40-R43 VanDerWaalsContact O-N 3.14Å; V40-I44 HydrophobicContact CG1-CD1 3.55Å; V40-I44 HydrophobicContact CG1-CG1 4.37Å; V40-I44 WeakPolarHBondContact O-CB 3.28Å; V40-I44 WeakPolarHBondContact O-CD1 3.47Å; V40-I44 WeakPolarHBondContact O-CG1 3.36Å; V40-I44 PolarHBondContact O-N 3.14Å
41C25.3Very low29.5Very low55 Ų5588.9 Ų88.937%0.37246%0.461SS..Hα-helixtrans-62.6-39.6172.6-79.10000112.1N37 I44 T45N37-C41 WeakPolarHBondContact O-CB 3.23Å; N37-C41 PolarHBondContact O-N 2.98Å; N37-C41 PolarHBondContact O-SG 3.39Å; N37-C41 VanDerWaalsContact O-SG 3.36Å; C41-I44 PolarHBondContact O-N 3.34Å; C41-T45 WeakPolarHBondContact O-CB 3.31Å; C41-T45 WeakPolarHBondContact O-CG2 3.43Å; C41-T45 PolarHBondContact O-N 3.36Å; C41-T45 PolarHBondContact O-OG1 2.83Å
42R27.6Very low30.3Very low178 Ų17888.9 Ų88.967%0.67246%0.46SS*.Hα-helixtrans-64.3-40.3171.3-81.7-179.2175.4-176.40.2111.8L38 S39 V40 I44 Q46L38-R42 VanDerWaalsContact O-CB 3.3Å; L38-R42 WeakPolarHBondContact O-CB 3.47Å; L38-R42 WeakPolarHBondContact O-CG 3.44Å; L38-R42 PolarHBondContact O-N 3.43Å; S39-R42 PolarHBondContact O-N 3.36Å; V40-R42 PolarHBondContact O-N 3.15Å; R42-I44 VanDerWaalsContact C-N 3.35Å; R42-I44 PolarHBondContact O-N 3.44Å; R42-Q46 WeakPolarHBondContact O-CB 3.39Å; R42-Q46 WeakPolarHBondContact O-CG 3.19Å; R42-Q46 PolarHBondContact O-N 3.41Å
43R27.4Very low31Very low182 Ų18286.9 Ų86.969%0.68745%0.447SS*.Hα-helixtrans-67.6-30.3175.9-78174.1-177.2-173.73.6113.4S39 V40 P47S39-R43 WeakPolarHBondContact O-CB 3.4Å; S39-R43 VanDerWaalsContact O-CG 3.23Å; S39-R43 WeakPolarHBondContact O-CG 3.38Å; S39-R43 PolarHBondContact O-N 3.02Å; V40-R43 CarbonylContact O-C 3.46Å; V40-R43 PolarHBondContact O-N 3.46Å; V40-R43 VanDerWaalsContact O-N 3.14Å; R43-P47 WeakPolarHBondContact O-CD 3.34Å; R43-P47 WeakPolarHBondContact O-CG 3.26Å
44I29Very low31.7Very low64 Ų6489.5 Ų89.533%0.32845%0.453SS..Hα-helixtrans-83.7-37.3179.2-67.8164.6000111.6V40 C41 R42 P47 F127V40-I44 HydrophobicContact CG1-CD1 3.55Å; V40-I44 HydrophobicContact CG1-CG1 4.37Å; V40-I44 WeakPolarHBondContact O-CB 3.28Å; V40-I44 WeakPolarHBondContact O-CD1 3.47Å; V40-I44 WeakPolarHBondContact O-CG1 3.36Å; V40-I44 PolarHBondContact O-N 3.14Å; C41-I44 PolarHBondContact O-N 3.34Å; R42-I44 VanDerWaalsContact C-N 3.35Å; R42-I44 PolarHBondContact O-N 3.44Å; I44-P47 WeakPolarHBondContact O-CD 3.43Å; I44-F127 HydrophobicContact CD1-CZ 4.19Å
45T30.2Very low32.8Very low83 Ų8393.8 Ų93.851%0.50947%0.467SS..Hα-helixtrans-84.3-24.3-179.253.90000113.2C41 I48 G49C41-T45 WeakPolarHBondContact O-CB 3.31Å; C41-T45 WeakPolarHBondContact O-CG2 3.43Å; C41-T45 PolarHBondContact O-N 3.36Å; C41-T45 PolarHBondContact O-OG1 2.83Å; T45-I48 PolarHBondContact O-N 3.15Å; T45-I48 VanDerWaalsContact O-N 3.15Å; T45-G49 PolarHBondContact O-N 3.12Å
46Q32.6Very low33.6Very low96 Ų9699.1 Ų99.145%0.44948%0.476SS..Hα-helixtrans-55.5-50.7174.8-91.4178.5-700112.8R42 I48 G49 I50R42-Q46 WeakPolarHBondContact O-CB 3.39Å; R42-Q46 WeakPolarHBondContact O-CG 3.19Å; R42-Q46 PolarHBondContact O-N 3.41Å; Q46-I48 VanDerWaalsContact C-N 3.26Å; Q46-I48 PolarHBondContact O-N 3.31Å; Q46-G49 PolarHBondContact O-N 2.84Å; Q46-I50 HydrophobicContact CB-CD1 4.38Å; Q46-I50 WeakPolarHBondContact O-CB 3.34Å; Q46-I50 WeakPolarHBondContact O-CD1 3.28Å; Q46-I50 WeakPolarHBondContact O-CG1 3.06Å; Q46-I50 PolarHBondContact O-N 3.21Å
47P37.4Very low34.5Very low65 Ų6599.4 Ų99.442%0.42248%0.475SS..Hα-helixtrans-55.4-41.4174.7-24.831000112.5R43 I44 M51R43-P47 WeakPolarHBondContact O-CD 3.34Å; R43-P47 WeakPolarHBondContact O-CG 3.26Å; I44-P47 WeakPolarHBondContact O-CD 3.43Å; P47-M51 WeakPolarHBondContact O-CB 3.4Å; P47-M51 WeakPolarHBondContact O-CG 3.39Å; P47-M51 PolarHBondContact O-N 3.26Å
48I38.9Very low34.9Very low38 Ų3898.5 Ų98.520%0.19549%0.486CS..Hα-helixtrans-70.3-41.4-179.4-60.7173.3000111.3F18 T45 Q46 M51 R52F18-I48 HydrophobicContact CE1-CD1 4.35Å; T45-I48 PolarHBondContact O-N 3.15Å; T45-I48 VanDerWaalsContact O-N 3.15Å; Q46-I48 VanDerWaalsContact C-N 3.26Å; Q46-I48 PolarHBondContact O-N 3.31Å; I48-M51 HydrophobicContact CG1-CE 4.18Å; I48-M51 PolarHBondContact O-N 3.43Å; I48-R52 WeakPolarHBondContact O-CB 3.45Å; I48-R52 VanDerWaalsContact O-CG 3.31Å; I48-R52 WeakPolarHBondContact O-CG 3.25Å; I48-R52 PolarHBondContact O-N 2.94Å
49G36.5Very low35.4Very low39 Ų39100.7 Ų100.740%0.40249%0.491SS..Hα-helixtrans-65.1-42.8176.100000112.3T45 Q46 R52 E53T45-G49 PolarHBondContact O-N 3.12Å; Q46-G49 PolarHBondContact O-N 2.84Å; G49-R52 PolarHBondContact O-N 3.38Å; G49-E53 VanDerWaalsContact O-CB 3.29Å; G49-E53 WeakPolarHBondContact O-CB 2.92Å; G49-E53 PolarHBondContact O-N 2.83Å
50I39.6Very low36Very low54 Ų54101.8 Ų101.828%0.27750%0.503SS..Hα-helixtrans-62.6-44.1175.1-67.9159.6000110.6Q46 E53 W54 V61 T63Q46-I50 HydrophobicContact CB-CD1 4.38Å; Q46-I50 WeakPolarHBondContact O-CB 3.34Å; Q46-I50 WeakPolarHBondContact O-CD1 3.28Å; Q46-I50 WeakPolarHBondContact O-CG1 3.06Å; Q46-I50 PolarHBondContact O-N 3.21Å; I50-E53 PolarHBondContact O-N 2.95Å; I50-W54 WeakPolarHBondContact O-CB 3.49Å; I50-W54 PolarHBondContact O-N 3.02Å; I50-V61 HydrophobicContact CG2-CB 4.26Å; I50-T63 HydrophobicContact CD1-CG2 3.25Å; I50-T63 HydrophobicContact CG1-CG2 3.86Å
51M42.4Very low36.3Very low79 Ų79101.2 Ų101.239%0.38950%0.5SS..Hα-helixtrans-66.9-40177.2-74.8-174.8-51.900112.6P47 I48 K55 F148P47-M51 WeakPolarHBondContact O-CB 3.4Å; P47-M51 WeakPolarHBondContact O-CG 3.39Å; P47-M51 PolarHBondContact O-N 3.26Å; I48-M51 HydrophobicContact CG1-CE 4.18Å; I48-M51 PolarHBondContact O-N 3.43Å; M51-K55 WeakPolarHBondContact O-CB 3.07Å; M51-K55 PolarHBondContact O-N 3.15Å; M51-F148 HydrophobicContact CE-CD2 4.42Å; M51-F148 HydrophobicContact CE-CE2 3.66Å; M51-F148 HydrophobicContact CE-CZ 3.96Å
52R43Very low36.7Very low164 Ų164103.1 Ų103.162%0.61951%0.514SS*.Hα-helixtrans-64.6-43.8175.6-77.5178.5-178.4-171.61.2111.7I48 G49 K55 R56I48-R52 WeakPolarHBondContact O-CB 3.45Å; I48-R52 VanDerWaalsContact O-CG 3.31Å; I48-R52 WeakPolarHBondContact O-CG 3.25Å; I48-R52 PolarHBondContact O-N 2.94Å; G49-R52 PolarHBondContact O-N 3.38Å; R52-K55 PolarHBondContact O-N 2.94Å; R52-R56 WeakPolarHBondContact O-CB 3.32Å; R52-R56 PolarHBondContact O-N 3.35Å
53E41.1Very low37.1Very low91 Ų9198.5 Ų98.543%0.42551%0.505SS..Hα-helixtrans-74-33-179.3-175.663.6-156.400111.7G49 I50 R56 S57 V61G49-E53 VanDerWaalsContact O-CB 3.29Å; G49-E53 WeakPolarHBondContact O-CB 2.92Å; G49-E53 PolarHBondContact O-N 2.83Å; I50-E53 PolarHBondContact O-N 2.95Å; E53-R56 PolarHBondContact O-N 2.83Å; E53-S57 VanDerWaalsContact O-CB 3.26Å; E53-S57 WeakPolarHBondContact O-CB 3.33Å; E53-S57 PolarHBondContact O-N 2.97Å; E53-S57 PolarHBondContact O-OG 3.33Å; E53-V61 HydrophobicContact CB-CG2 3.67Å; E53-V61 HydrophobicContact CG-CG1 4.48Å; E53-V61 HydrophobicContact CG-CG2 3.49Å; E53-V61 VanDerWaalsContact CG-CG2 3.49Å
54W41.2Very low37.2Very low153 Ų15397.1 Ų97.158%0.5850%0.504SS*.Hα-helixtrans-61.8-45.9167.6179.971000111.6I50 R56 S57 G58I50-W54 WeakPolarHBondContact O-CB 3.49Å; I50-W54 PolarHBondContact O-N 3.02Å; W54-R56 VanDerWaalsContact C-N 3.3Å; W54-R56 PolarHBondContact O-N 2.88Å; W54-S57 PolarHBondContact O-N 2.8Å; W54-G58 WeakPolarHBondContact O-CA 3.48Å; W54-G58 PolarHBondContact O-N 3.08Å
55K47.4Very low37.1Very low181 Ų18198.5 Ų98.579%0.78752%0.518SS*.Hα-helixtrans-64.6-32.9176.9-166176.1-176.4177.10112.7M51 R52M51-K55 WeakPolarHBondContact O-CB 3.07Å; M51-K55 PolarHBondContact O-N 3.15Å; R52-K55 PolarHBondContact O-N 2.94Å
56R41.7Very low36.8Very low213 Ų213104.9 Ų104.980%0.80454%0.535SS*.Hα-helixtrans-76.4-43.3177.4-173.5-175.8175.9109.71.6112.6R52 E53 W54R52-R56 WeakPolarHBondContact O-CB 3.32Å; R52-R56 PolarHBondContact O-N 3.35Å; E53-R56 PolarHBondContact O-N 2.83Å; W54-R56 VanDerWaalsContact C-N 3.3Å; W54-R56 PolarHBondContact O-N 2.88Å
57S42.1Very low36.4Very low46 Ų46103.4 Ų103.432%0.32255%0.545SS..Hα-helixtrans-97.4-17.6-169.8670000114.1E53 W54 K59E53-S57 VanDerWaalsContact O-CB 3.26Å; E53-S57 WeakPolarHBondContact O-CB 3.33Å; E53-S57 PolarHBondContact O-N 2.97Å; E53-S57 PolarHBondContact O-OG 3.33Å; W54-S57 PolarHBondContact O-N 2.8Å; S57-K59 PolarHBondContact O-N 3.44Å; S57-K59 VanDerWaalsContact O-N 3.13Å; S57-K59 PolarHBondContact OG-N 3.48Å; S57-K59 VanDerWaalsContact OG-N 3.12Å; S57-K59 PolarHBondContact OG-O 2.75Å
58G33.3Very low35.9Very low65 Ų65105 Ų10567%0.6756%0.563SS**SBendtrans63.57.3-167.700000113.5W54W54-G58 WeakPolarHBondContact O-CA 3.48Å; W54-G58 PolarHBondContact O-N 3.08Å
59K36.4Very low35.1Very low157 Ų157110.6 Ų110.668%0.68359%0.594SS**SBendtrans-114.1136.2-175.1-66.9175.2-177179.80109.5S57 V61S57-K59 PolarHBondContact O-N 3.44Å; S57-K59 VanDerWaalsContact O-N 3.13Å; S57-K59 PolarHBondContact OG-N 3.48Å; S57-K59 VanDerWaalsContact OG-N 3.12Å; S57-K59 PolarHBondContact OG-O 2.75Å; K59-V61 PolarHBondContact O-N 3.04Å; K59-V61 VanDerWaalsContact O-N 3.17Å
60A36.2Very low34.6Very low71 Ų71113.7 Ų113.759%0.58761%0.609SS**  trans-59.9120.2172.100000109.3S62A60-S62 PolarHBondContact O-N 3.03Å
61V33.1Very low33.9Very low52 Ų52116.2 Ų116.232%0.31563%0.632SS.*  trans-78.2110.5-179.3-177.80000107.9I50 E53 K59 T63I50-V61 HydrophobicContact CG2-CB 4.26Å; E53-V61 HydrophobicContact CB-CG2 3.67Å; E53-V61 HydrophobicContact CG-CG1 4.48Å; E53-V61 HydrophobicContact CG-CG2 3.49Å; E53-V61 VanDerWaalsContact CG-CG2 3.49Å; K59-V61 PolarHBondContact O-N 3.04Å; K59-V61 VanDerWaalsContact O-N 3.17Å; V61-T63 PolarHBondContact O-N 2.98Å
62S33.1Very low33.2Very low95 Ų95118.9 Ų118.966%0.66465%0.648SS**  trans-71.1112.7175.4780000109.2A60 K64A60-S62 PolarHBondContact O-N 3.03Å; S62-K64 VanDerWaalsContact C-N 3.29Å; S62-K64 PolarHBondContact O-N 3.32Å
63T35.7Very low32.5Very low80 Ų80117.1 Ų117.149%0.49166%0.657SS.*  trans-74.184.7168.1490000109.1I50 V61 C65I50-T63 HydrophobicContact CD1-CG2 3.25Å; I50-T63 HydrophobicContact CG1-CG2 3.86Å; V61-T63 PolarHBondContact O-N 2.98Å; T63-C65 PolarHBondContact O-N 3.48Å
64K29.6Very low31.9Very low154 Ų154119.8 Ų119.867%0.6767%0.674SS**  trans-69.887.1155.9-76.2-172.4179.9179.30106.9S62 Y66S62-K64 VanDerWaalsContact C-N 3.29Å; S62-K64 PolarHBondContact O-N 3.32Å; K64-Y66 VanDerWaalsContact C-N 3.34Å; K64-Y66 PolarHBondContact O-N 2.92Å
65C27Very low31.2Very low92 Ų92118 Ų11862%0.62269%0.685SS**  trans-65.299.1165.4-67.10000106.8T63 G67T63-C65 PolarHBondContact O-N 3.48Å; C65-G67 VanDerWaalsContact C-N 3.33Å; C65-G67 PolarHBondContact O-N 3.4Å
66Y25.3Very low30.2Very low218 Ų218117.6 Ų117.686%0.85569%0.691SS**  trans-60.1105.1156.4-77.2-86000106.5K64 A68K64-Y66 VanDerWaalsContact C-N 3.34Å; K64-Y66 PolarHBondContact O-N 2.92Å; Y66-A68 PolarHBondContact O-N 2.85Å
67G24.2Very low29.4Very low64 Ų64112.6 Ų112.666%0.6669%0.688SS**  trans-60115.1164.600000107.6C65 D69C65-G67 VanDerWaalsContact C-N 3.33Å; C65-G67 PolarHBondContact O-N 3.4Å; G67-D69 PolarHBondContact O-N 3.47Å
68A25.4Very low28.7Very low99 Ų99115 Ų11582%0.81871%0.705SS**  trans-83.972.2157.100000106.7Y66Y66-A68 PolarHBondContact O-N 2.85Å
69D23.2Very low28.3Very low156 Ų156121 Ų12183%0.83471%0.713SS**  trans-79.4109.2154-79.2-32.5000106.3G67G67-D69 PolarHBondContact O-N 3.47Å
70S25.3Very low27.9Very low103 Ų103119.2 Ų119.272%0.7272%0.715SS**  trans146.6131.6163.165.40000107.9
71S26Very low27.5Very low107 Ų107124 Ų12475%0.74873%0.731SS**  cis-178.2147.716.732.80000108
72D27.5Very low27.2Very low136 Ų136129.3 Ų129.373%0.72775%0.752SS**  trans8.7129165.1-78-54000121.5N74D72-N74 VanDerWaalsContact C-N 3.25Å; D72-N74 PolarHBondContact O-N 2.93Å
73P27.3Very low26.8Very low127 Ų127130.1 Ų130.183%0.82576%0.755SS**THydrogen-bonded Turntrans-80.612.4175.730.5-27.3000115
74N28.9Very low26.4Very low146 Ų146132.3 Ų132.378%0.78177%0.77SS**THydrogen-bonded Turntrans-116.38.2-166.9-87-18.2000117.5D72 L76D72-N74 VanDerWaalsContact C-N 3.25Å; D72-N74 PolarHBondContact O-N 2.93Å; N74-L76 PolarHBondContact O-N 2.96Å
75S27.2Very low26.2Very low115 Ų115134.3 Ų134.380%0.80478%0.779SS**  trans-94.966.5178.674.70000113.4
76L24.8Very low26.1Very low173 Ų173141.6 Ų141.691%0.90679%0.794SS**  trans-75.7111.3152.1-83.9158.9000107.1N74N74-L76 PolarHBondContact O-N 2.96Å
77S25.9Very low26.2Very low108 Ų108136.1 Ų136.176%0.75579%0.794SS**  trans167.2134.6143.71800000112.3
78S27.7Very low26.2Very low96 Ų96139.7 Ų139.767%0.67180%0.802SS**  trans68.1109.7156.678.80000115.6
79K25.4Very low26.2Very low193 Ų193144.2 Ų144.284%0.83981%0.807SS**  50.7113.7103-69-174.9177.1179.40111.6
80V28.1Very low26.2Very low119 Ų119148.5 Ų148.572%0.72181%0.811SS**  159.7118.8120.71640000106.8E82V80-E82 HydrophobicContact CG1-CB 4.45Å; V80-E82 PolarHBondContact O-N 3.19Å
81N25.9Very low26.3Very low172 Ų172148.9 Ų148.992%0.9281%0.813SS**  trans-60.595.8166.7-74.3-43.7000108.8
82E28.4Very low26.3Very low162 Ų162149.7 Ų149.776%0.75781%0.814SS**  trans-164.4130.6157.8-116.6175.7172.800110.3V80V80-E82 HydrophobicContact CG1-CB 4.45Å; V80-E82 PolarHBondContact O-N 3.19Å
83P24.1Very low26.1Very low112 Ų112149.6 Ų149.673%0.72782%0.821SS**  trans-69.2128176.127.7-30.6000109K85P83-K85 PolarHBondContact O-N 3.17Å
84P27.8Very low26.1Very low126 Ų126148.1 Ų148.182%0.81881%0.814SS**  trans-69.698.6-177.525.8-30.6000110.5R86P84-R86 VanDerWaalsContact C-N 3.27Å; P84-R86 PolarHBondContact O-N 3.24Å
85K25.5Very low26Very low197 Ų197151.2 Ų151.286%0.85782%0.815SS**  trans-61.884.5156.3-73.4174176.8170.60108.4P83P83-K85 PolarHBondContact O-N 3.17Å
86R25.2Very low26Very low244 Ų244155.5 Ų155.592%0.92181%0.813SS**  trans168.692.6159.7-94.8156-167.8-153.35.6110.1P84P84-R86 VanDerWaalsContact C-N 3.27Å; P84-R86 PolarHBondContact O-N 3.24Å
87A26.2Very low26.2Very low104 Ų104151 Ų15186%0.8680%0.797SS**  trans-16248.2151.500000108.7
88V24.9Very low26.2Very low139 Ų139151 Ų15184%0.84279%0.788SS**  trans-107.486.6168179.40000105.5
89E24.9Very low26.4Very low194 Ų194149.7 Ų149.791%0.90778%0.779SS**  trans-130.4114.2159.7-100.6-179178.400109.4
90R23.9Very low26.5Very low246 Ų246148.3 Ų148.393%0.92878%0.775SS**  trans-61.2129.6-178.5-73.6163157.5169.1-7110.5
91S27.1Very low26.5Very low110 Ų110149.9 Ų149.977%0.76978%0.775SS**  trans-126.196.9154.440.90000109.5
92T25.2Very low26.6Very low124 Ų124150.3 Ų150.376%0.76176%0.763SS**  trans32.2126.6152.447.90000121S94T92-S94 PolarHBondContact O-N 3.12Å
93P23.7Very low26.6Very low134 Ų134145.3 Ų145.387%0.8775%0.75SS**  trans-73.491.6179.632.2-32.8000111R95P93-R95 PolarHBondContact O-N 2.66Å
94S26.4Very low26.6Very low97 Ų97141.3 Ų141.368%0.67873%0.729SS**  trans-76106.6168.6168.30000109.2T92 W96T92-S94 PolarHBondContact O-N 3.12Å; S94-W96 PolarHBondContact O-N 3.13Å
95R27.1Very low26.6Very low211 Ų211141.4 Ų141.480%0.79672%0.719SS**  trans-24.2107173.2-76.2175.6169.1-178.6-4.4114.3P93 S97P93-R95 PolarHBondContact O-N 2.66Å; R95-S97 VanDerWaalsContact C-N 3.32Å
96W27.8Very low26.7Very low204 Ų204135.8 Ų135.877%0.77370%0.7SS**  trans-86.33172.8-87.724.4000113.8S94 D98S94-W96 PolarHBondContact O-N 3.13Å; W96-D98 VanDerWaalsContact C-N 3.29Å; W96-D98 PolarHBondContact O-N 3.23Å
97S29.2Very low26.8Very low80 Ų80130.8 Ų130.856%0.55969%0.689SS**THydrogen-bonded Turntrans-68-22.8-175.850.10000114.6R95R95-S97 VanDerWaalsContact C-N 3.32Å
98D26.5Very low26.9Very low107 Ų107136.5 Ų136.557%0.57269%0.689SS**THydrogen-bonded Turntrans-102.2-0.4-168.3-55.1-2.2000112.8W96W96-D98 VanDerWaalsContact C-N 3.29Å; W96-D98 PolarHBondContact O-N 3.23Å
99S30.8Very low27Very low69 Ų69133 Ų13348%0.48367%0.67SS.*Hα-helixtrans-101.1-27-175.185.30000114.7R102 A103S99-R102 PolarHBondContact O-N 3Å; S99-A103 PolarHBondContact O-N 2.98Å
100E28.4Very low27.4Very low163 Ų163128.1 Ų128.176%0.76265%0.646SS**Hα-helixtrans-71.2-33.7174.5-81.3-172.8149.800111.8A103 G104E100-A103 PolarHBondContact O-N 3.48Å; E100-G104 PolarHBondContact O-N 3.17Å
101E27.2Very low27.8Very low152 Ų152117.8 Ų117.871%0.7162%0.616SS**Hα-helixtrans-67.5-38.7175.7-150.3170.3-159.400111.4G104 E105E101-G104 PolarHBondContact O-N 3.47Å; E101-E105 PolarHBondContact O-N 3.23Å
102R27.6Very low28.1Very low181 Ų181118.2 Ų118.268%0.68362%0.615SS**Hα-helixtrans-68.3-36.7172.4-95.7-179.2178.5150.71.8113.8S99 G104 E105 V106S99-R102 PolarHBondContact O-N 3Å; R102-G104 VanDerWaalsContact C-N 3.32Å; R102-E105 PolarHBondContact O-N 3.02Å; R102-V106 WeakPolarHBondContact O-CB 3.35Å; R102-V106 WeakPolarHBondContact O-CG2 3.23Å; R102-V106 PolarHBondContact O-N 2.8Å
103A28.5Very low28.5Very low57 Ų57117.4 Ų117.447%0.47161%0.605SS.*Hα-helixtrans-68.2-34.6175.800000111.6S99 E100 M107S99-A103 PolarHBondContact O-N 2.98Å; E100-A103 PolarHBondContact O-N 3.48Å; A103-M107 WeakPolarHBondContact O-CB 3.27Å; A103-M107 VanDerWaalsContact O-CG 3.23Å; A103-M107 WeakPolarHBondContact O-CG 3.48Å; A103-M107 PolarHBondContact O-N 2.7Å; A103-M107 VanDerWaalsContact O-N 3.14Å
104G25.8Very low29.1Very low28 Ų28114.7 Ų114.729%0.28958%0.584SS.*Hα-helixtrans-66.2-40.6170.800000113.4E100 E101 R102 R108E100-G104 PolarHBondContact O-N 3.17Å; E101-G104 PolarHBondContact O-N 3.47Å; R102-G104 VanDerWaalsContact C-N 3.32Å; G104-R108 WeakPolarHBondContact O-CB 3.19Å; G104-R108 VanDerWaalsContact O-CG 3.26Å; G104-R108 WeakPolarHBondContact O-CG 3.18Å; G104-R108 PolarHBondContact O-N 3Å
105E26.2Very low29.5Very low129 Ų129114.3 Ų114.360%0.60358%0.577SS**Hα-helixtrans-68.1-36.4174.7-96.7-178.915000113.4E101 R102 R108 S109E101-E105 PolarHBondContact O-N 3.23Å; R102-E105 PolarHBondContact O-N 3.02Å; E105-R108 PolarHBondContact O-N 2.88Å; E105-S109 VanDerWaalsContact O-CB 3.32Å; E105-S109 WeakPolarHBondContact O-CB 3.09Å; E105-S109 PolarHBondContact O-N 3.34Å; E105-S109 VanDerWaalsContact O-N 3.1Å; E105-S109 PolarHBondContact O-OG 2.9Å
106V27.1Very low30.2Very low78 Ų78106.3 Ų106.347%0.47355%0.548SS..Hα-helixtrans-74.4-27.8178.8173.20000112.4R102 S109R102-V106 WeakPolarHBondContact O-CB 3.35Å; R102-V106 WeakPolarHBondContact O-CG2 3.23Å; R102-V106 PolarHBondContact O-N 2.8Å; V106-S109 WeakPolarHBondContact CA-OG 3.13Å; V106-S109 PolarHBondContact O-OG 3.14Å
107M27.6Very low30.9Very low140 Ų140100.2 Ų100.269%0.6953%0.533SS*.Hα-helixtrans-82-27.6172.6-69.8-100-13700112.6A103A103-M107 WeakPolarHBondContact O-CB 3.27Å; A103-M107 VanDerWaalsContact O-CG 3.23Å; A103-M107 WeakPolarHBondContact O-CG 3.48Å; A103-M107 PolarHBondContact O-N 2.7Å; A103-M107 VanDerWaalsContact O-N 3.14Å
108R29Very low31.8Very low224 Ų224101.3 Ų101.385%0.84553%0.528SS*.Hα-helixtrans-79.1-20.2174.5-77.1176.9-179.2156.51.1114G104 E105G104-R108 WeakPolarHBondContact O-CB 3.19Å; G104-R108 VanDerWaalsContact O-CG 3.26Å; G104-R108 WeakPolarHBondContact O-CG 3.18Å; G104-R108 PolarHBondContact O-N 3Å; E105-R108 PolarHBondContact O-N 2.88Å
109S28Very low32.6Very low65 Ų6598.2 Ų98.246%0.45552%0.517SS..SBendtrans-100.1-7-175.753.40000115.1E105 V106E105-S109 VanDerWaalsContact O-CB 3.32Å; E105-S109 WeakPolarHBondContact O-CB 3.09Å; E105-S109 PolarHBondContact O-N 3.34Å; E105-S109 VanDerWaalsContact O-N 3.1Å; E105-S109 PolarHBondContact O-OG 2.9Å; V106-S109 WeakPolarHBondContact CA-OG 3.13Å; V106-S109 PolarHBondContact O-OG 3.14Å
110K32.8Very low33.4Very low91 Ų9195.3 Ų95.340%0.39650%0.496SS..SBendtrans-112.8111.2174.5-74.5177-177.91570108.3D114K110-D114 HydrophobicContact CB-CB 4.18Å
111G31.9Very low34.3Very low30 Ų3091.9 Ų91.931%0.30948%0.48SS..  trans-50.9147.9175.400000110D113 D114G111-D113 PolarHBondContact O-N 3Å; G111-D114 WeakPolarHBondContact O-CB 3.17Å; G111-D114 PolarHBondContact O-N 3.15Å
112T33Very low35.3Very low119 Ų11994 Ų9473%0.7348%0.482SS*.Hα-helixtrans-44.9-31.6172.237.90000112.4V115 F116T112-V115 PolarHBondContact O-N 3.49Å; T112-F116 VanDerWaalsContact O-CB 3.31Å; T112-F116 WeakPolarHBondContact O-CB 3.33Å; T112-F116 PolarHBondContact O-N 3.16Å
113D33.2Very low36.1Very low106 Ų10688.5 Ų88.557%0.56747%0.465SS*.Hα-helixtrans-62.6-39176-59.5-19.4000113.1G111 F116 V117G111-D113 PolarHBondContact O-N 3Å; D113-F116 PolarHBondContact O-N 3.15Å; D113-V117 WeakPolarHBondContact O-CB 3.33Å; D113-V117 WeakPolarHBondContact O-CG2 3.38Å; D113-V117 PolarHBondContact O-N 2.88Å
114D36Very low36.9Very low78 Ų7887.9 Ų87.942%0.41745%0.454SS..Hα-helixtrans-69.7-36.1178.2-84.2-16.4000112.4K110 G111 F116 K118K110-D114 HydrophobicContact CB-CB 4.18Å; G111-D114 WeakPolarHBondContact O-CB 3.17Å; G111-D114 PolarHBondContact O-N 3.15Å; D114-F116 VanDerWaalsContact C-N 3.3Å; D114-K118 WeakPolarHBondContact O-CB 3.29Å; D114-K118 VanDerWaalsContact O-CG 3.31Å; D114-K118 WeakPolarHBondContact O-CG 3.37Å; D114-K118 PolarHBondContact O-N 3.37Å
115V36.6Very low37.8Very low89 Ų8996.2 Ų96.254%0.53948%0.477SS..Hα-helixtrans-68-39.9175.6179.10000109.6T112 K118 A119T112-V115 PolarHBondContact O-N 3.49Å; V115-K118 PolarHBondContact O-N 2.98Å; V115-A119 PolarHBondContact O-N 3.4Å
116F41.8Very low38.5Very low43 Ų4392.8 Ų92.819%0.18947%0.47CS..Hα-helixtrans-70.1-47.2-179-170.4-117.5000112.7T112 D113 D114 K118 A119 V120 L143 M150 L152T112-F116 VanDerWaalsContact O-CB 3.31Å; T112-F116 WeakPolarHBondContact O-CB 3.33Å; T112-F116 PolarHBondContact O-N 3.16Å; D113-F116 PolarHBondContact O-N 3.15Å; D114-F116 VanDerWaalsContact C-N 3.3Å; F116-K118 VanDerWaalsContact C-N 3.26Å; F116-K118 PolarHBondContact O-N 3.02Å; F116-A119 WeakPolarHBondContact O-CB 3.5Å; F116-A119 PolarHBondContact O-N 3.46Å; F116-V120 HydrophobicContact CD1-CG2 4.43Å; F116-V120 HydrophobicContact CE1-CG2 4.22Å; F116-V120 HydrophobicContact CE2-CG2 4.42Å; F116-V120 HydrophobicContact CZ-CG2 4.2Å; F116-V120 WeakPolarHBondContact O-CG2 3.31Å; F116-V120 PolarHBondContact O-N 2.98Å; F116-L143 HydrophobicContact CD1-CD2 4.26Å; F116-L143 HydrophobicContact CE1-CD1 4.1Å; F116-L143 HydrophobicContact CE1-CD2 3.09Å; F116-L143 HydrophobicContact CE1-CG 4.23Å; F116-L143 HydrophobicContact CE2-CD2 4.27Å; F116-L143 HydrophobicContact CZ-CD2 3.09Å; F116-M150 HydrophobicContact CD2-CE 4.42Å; F116-M150 HydrophobicContact CD2-SD 4.05Å; F116-M150 HydrophobicContact CE1-CE 4.46Å; F116-M150 HydrophobicContact CE2-CE 3.26Å; F116-M150 HydrophobicContact CE2-SD 3.39Å; F116-M150 WeakPolarHBondContact CE2-SD 3.41Å; F116-M150 HydrophobicContact CZ-CE 3.26Å; F116-M150 HydrophobicContact CZ-SD 3.74Å; F116-L152 HydrophobicContact CD1-CD1 4.43Å; F116-L152 HydrophobicContact CE1-CD1 3.54Å; F116-L152 HydrophobicContact CE1-CD2 4.42Å; F116-L152 HydrophobicContact CZ-CD1 3.92Å
117V42.6Very low39Very low75 Ų7591.7 Ų91.746%0.45546%0.459SS..Hα-helixtrans-56.4-42.7174169.60000110.5D113 A119 V120 E121D113-V117 WeakPolarHBondContact O-CB 3.33Å; D113-V117 WeakPolarHBondContact O-CG2 3.38Å; D113-V117 PolarHBondContact O-N 2.88Å; V117-A119 PolarHBondContact O-N 3.35Å; V117-V120 PolarHBondContact O-N 3.33Å; V117-E121 HydrophobicContact CG1-CG 4.37Å; V117-E121 WeakPolarHBondContact O-CB 3.27Å; V117-E121 WeakPolarHBondContact O-CG 3.17Å; V117-E121 PolarHBondContact O-N 3.21Å
118K46.6Very low39.7Very low104 Ų10486.9 Ų86.945%0.45244%0.438SS..Hα-helixtrans-65.6-35175.6-76.3176.8-177.7175.20113.7D114 V115 F116 R122D114-K118 WeakPolarHBondContact O-CB 3.29Å; D114-K118 VanDerWaalsContact O-CG 3.31Å; D114-K118 WeakPolarHBondContact O-CG 3.37Å; D114-K118 PolarHBondContact O-N 3.37Å; V115-K118 PolarHBondContact O-N 2.98Å; F116-K118 VanDerWaalsContact C-N 3.26Å; F116-K118 PolarHBondContact O-N 3.02Å; K118-R122 WeakPolarHBondContact O-CB 3.42Å; K118-R122 VanDerWaalsContact O-CG 3.28Å; K118-R122 WeakPolarHBondContact O-CG 3.18Å; K118-R122 PolarHBondContact O-N 2.98Å
119A44.4Very low40.3Very low41 Ų4184.7 Ų84.734%0.33944%0.437SS..Hα-helixtrans-67-44.9175.300000110.9V115 F116 V117 R122 I123V115-A119 PolarHBondContact O-N 3.4Å; F116-A119 WeakPolarHBondContact O-CB 3.5Å; F116-A119 PolarHBondContact O-N 3.46Å; V117-A119 PolarHBondContact O-N 3.35Å; A119-R122 PolarHBondContact O-N 3.43Å; A119-I123 VanDerWaalsContact O-CG1 3.27Å; A119-I123 WeakPolarHBondContact O-CG1 3.46Å; A119-I123 PolarHBondContact O-N 3.12Å
120V48Very low40.9Very low8 Ų888.2 Ų88.25%0.04844%0.441CS..Hα-helixtrans-63.4-44.7176.2176.30000111.2F116 V117 R122 I123 L124 I142 L143 I146F116-V120 HydrophobicContact CD1-CG2 4.43Å; F116-V120 HydrophobicContact CE1-CG2 4.22Å; F116-V120 HydrophobicContact CE2-CG2 4.42Å; F116-V120 HydrophobicContact CZ-CG2 4.2Å; F116-V120 WeakPolarHBondContact O-CG2 3.31Å; F116-V120 PolarHBondContact O-N 2.98Å; V117-V120 PolarHBondContact O-N 3.33Å; V120-R122 VanDerWaalsContact C-N 3.33Å; V120-R122 PolarHBondContact O-N 3.41Å; V120-I123 PolarHBondContact O-N 2.84Å; V120-L124 HydrophobicContact CG1-CD1 4.36Å; V120-L124 WeakPolarHBondContact O-CB 3.43Å; V120-L124 WeakPolarHBondContact O-CG 3.35Å; V120-L124 PolarHBondContact O-N 2.92Å; V120-I142 HydrophobicContact CG1-CB 4.35Å; V120-I142 HydrophobicContact CG1-CD1 4.15Å; V120-I142 HydrophobicContact CG1-CG2 4.02Å; V120-L143 HydrophobicContact CG2-CD2 3.61Å; V120-L143 HydrophobicContact CG2-CG 4.35Å; V120-I146 HydrophobicContact CG2-CD1 4.32Å
121E46.5Very low41.3Very low92 Ų9284.9 Ų84.943%0.4343%0.426SS..Hα-helixtrans-61.8-38.9175-78.3-174164.500112.5V117 L124 R125V117-E121 HydrophobicContact CG1-CG 4.37Å; V117-E121 WeakPolarHBondContact O-CB 3.27Å; V117-E121 WeakPolarHBondContact O-CG 3.17Å; V117-E121 PolarHBondContact O-N 3.21Å; E121-L124 PolarHBondContact O-N 3.25Å; E121-R125 WeakPolarHBondContact O-CG 3.33Å; E121-R125 PolarHBondContact O-N 2.88Å
122R47.3Very low41.6Very low196 Ų19688.1 Ų88.174%0.7444%0.442SS*.Hα-helixtrans-65-41.2174.5-81.3177.8177176.7-0.5111.7K118 A119 V120 R125 A126K118-R122 WeakPolarHBondContact O-CB 3.42Å; K118-R122 VanDerWaalsContact O-CG 3.28Å; K118-R122 WeakPolarHBondContact O-CG 3.18Å; K118-R122 PolarHBondContact O-N 2.98Å; A119-R122 PolarHBondContact O-N 3.43Å; V120-R122 VanDerWaalsContact C-N 3.33Å; V120-R122 PolarHBondContact O-N 3.41Å; R122-R125 PolarHBondContact O-N 2.94Å; R122-A126 PolarHBondContact O-N 2.96Å; R122-A126 VanDerWaalsContact O-N 3.12Å
123I45.5Very low41.9Very low66 Ų6692.1 Ų92.134%0.33844%0.443SS..Hα-helixtrans-63.5-44.9175.2-68.1164.2000110A119 V120 R125 A126 F127 I146A119-I123 VanDerWaalsContact O-CG1 3.27Å; A119-I123 WeakPolarHBondContact O-CG1 3.46Å; A119-I123 PolarHBondContact O-N 3.12Å; V120-I123 PolarHBondContact O-N 2.84Å; I123-R125 VanDerWaalsContact C-N 3.35Å; I123-R125 PolarHBondContact O-N 3.43Å; I123-A126 WeakPolarHBondContact O-CB 3.43Å; I123-A126 PolarHBondContact O-N 3.28Å; I123-A126 VanDerWaalsContact O-N 3.1Å; I123-F127 HydrophobicContact CG2-CD2 4.17Å; I123-F127 WeakPolarHBondContact O-CD2 3.01Å; I123-F127 PolarHBondContact O-N 2.83Å; I123-I146 HydrophobicContact CD1-CD1 4.36Å
124L45Very low42.1Very low44 Ų4494.6 Ų94.623%0.2346%0.457CS..Hα-helixtrans-59.1-42.7176.8-86.2172000114V120 E121 A126 F127 Y131 I142V120-L124 HydrophobicContact CG1-CD1 4.36Å; V120-L124 WeakPolarHBondContact O-CB 3.43Å; V120-L124 WeakPolarHBondContact O-CG 3.35Å; V120-L124 PolarHBondContact O-N 2.92Å; E121-L124 PolarHBondContact O-N 3.25Å; L124-A126 VanDerWaalsContact C-N 3.26Å; L124-A126 PolarHBondContact O-N 3.29Å; L124-F127 CarbonylContact O-C 3.57Å; L124-F127 PolarHBondContact O-N 3.49Å; L124-Y131 HydrophobicContact CD2-CD2 3.74Å; L124-Y131 HydrophobicContact CD2-CG 3.84Å; L124-I142 HydrophobicContact CD1-CD1 3.29Å; L124-I142 HydrophobicContact CD2-CD1 3.06Å; L124-I142 HydrophobicContact CD2-CG1 3.75Å; L124-I142 HydrophobicContact CG-CD1 3.22Å; L124-I142 HydrophobicContact CG-CG1 4.21Å
125R45.7Very low42.1Very low202 Ų20293 Ų9376%0.76245%0.452SS*.Hα-helixtrans-66.8-30.7176.7-73.6179.6-172.1-169.54.8112.1E121 R122 I123E121-R125 WeakPolarHBondContact O-CG 3.33Å; E121-R125 PolarHBondContact O-N 2.88Å; R122-R125 PolarHBondContact O-N 2.94Å; I123-R125 VanDerWaalsContact C-N 3.35Å; I123-R125 PolarHBondContact O-N 3.43Å
126A39.2Very low42Very low57 Ų5797 Ų9747%0.47147%0.469SS..Hα-helixtrans-77.7-27.6177.400000113.1R122 I123 L124 P128R122-A126 PolarHBondContact O-N 2.96Å; R122-A126 VanDerWaalsContact O-N 3.12Å; I123-A126 WeakPolarHBondContact O-CB 3.43Å; I123-A126 PolarHBondContact O-N 3.28Å; I123-A126 VanDerWaalsContact O-N 3.1Å; L124-A126 VanDerWaalsContact C-N 3.26Å; L124-A126 PolarHBondContact O-N 3.29Å; A126-P128 VanDerWaalsContact C-CD 3.42Å; A126-P128 WeakPolarHBondContact O-CD 3.35Å
127F39.5Very low41.7Very low55 Ų55100.1 Ų100.124%0.24149%0.488CS..  trans-12663.2-177.1-60.9-81.6000112.6I44 I123 L124 H129 W130I44-F127 HydrophobicContact CD1-CZ 4.19Å; I123-F127 HydrophobicContact CG2-CD2 4.17Å; I123-F127 WeakPolarHBondContact O-CD2 3.01Å; I123-F127 PolarHBondContact O-N 2.83Å; L124-F127 CarbonylContact O-C 3.57Å; L124-F127 PolarHBondContact O-N 3.49Å; F127-H129 PolarHBondContact O-N 2.92Å; F127-W130 HydrophobicContact CB-CB 3.99Å; F127-W130 HydrophobicContact CB-CD2 3.95Å; F127-W130 HydrophobicContact CB-CE3 4.11Å; F127-W130 HydrophobicContact CB-CG 3.89Å; F127-W130 AromaticContact CD1-CD2 3.84Å; F127-W130 HydrophobicContact CD1-CD2 3.84Å; F127-W130 AromaticContact CD1-CE2 3.82Å; F127-W130 HydrophobicContact CD1-CE3 4.05Å; F127-W130 HydrophobicContact CD1-CG 4.39Å; F127-W130 HydrophobicContact CD1-CH2 4.26Å; F127-W130 HydrophobicContact CD1-CZ2 4.05Å; F127-W130 HydrophobicContact CD1-CZ3 4.26Å; F127-W130 HydrophobicContact CE1-CH2 4.18Å; F127-W130 HydrophobicContact CE1-CZ2 4.14Å; F127-W130 HydrophobicContact CE1-CZ3 4.44Å; F127-W130 HydrophobicContact CG-CD2 4.04Å; F127-W130 AromaticContact CG-CE3 3.99Å; F127-W130 HydrophobicContact CG-CE3 3.99Å; F127-W130 HydrophobicContact CG-CG 4.46Å; F127-W130 HydrophobicContact CG-CZ3 4.4Å; F127-W130 PolarHBondContact O-N 3.37Å; F127-W130 VanDerWaalsContact O-N 3.12Å
128P41Very low41.3Very low39 Ų3997.4 Ų97.425%0.25347%0.472SS..G310 helixtrans-64.3-24.2-178.927.3-34.4000113A126 W130A126-P128 VanDerWaalsContact C-CD 3.42Å; A126-P128 WeakPolarHBondContact O-CD 3.35Å; P128-W130 VanDerWaalsContact C-N 3.34Å
129H42.5Very low40.8Very low178 Ų17895.5 Ų95.582%0.82447%0.471SS*.G310 helixtrans-78.1-16.9178.1-46.9-66000113.5F127F127-H129 PolarHBondContact O-N 2.92Å
130W39.6Very low40.6Very low140 Ų14095.3 Ų95.353%0.5347%0.47SS..G310 helixtrans-87-11.4-177.3-7310000112.9F127 P128F127-W130 HydrophobicContact CB-CB 3.99Å; F127-W130 HydrophobicContact CB-CD2 3.95Å; F127-W130 HydrophobicContact CB-CE3 4.11Å; F127-W130 HydrophobicContact CB-CG 3.89Å; F127-W130 AromaticContact CD1-CD2 3.84Å; F127-W130 HydrophobicContact CD1-CD2 3.84Å; F127-W130 AromaticContact CD1-CE2 3.82Å; F127-W130 HydrophobicContact CD1-CE3 4.05Å; F127-W130 HydrophobicContact CD1-CG 4.39Å; F127-W130 HydrophobicContact CD1-CH2 4.26Å; F127-W130 HydrophobicContact CD1-CZ2 4.05Å; F127-W130 HydrophobicContact CD1-CZ3 4.26Å; F127-W130 HydrophobicContact CE1-CH2 4.18Å; F127-W130 HydrophobicContact CE1-CZ2 4.14Å; F127-W130 HydrophobicContact CE1-CZ3 4.44Å; F127-W130 HydrophobicContact CG-CD2 4.04Å; F127-W130 AromaticContact CG-CE3 3.99Å; F127-W130 HydrophobicContact CG-CE3 3.99Å; F127-W130 HydrophobicContact CG-CG 4.46Å; F127-W130 HydrophobicContact CG-CZ3 4.4Å; F127-W130 PolarHBondContact O-N 3.37Å; F127-W130 VanDerWaalsContact O-N 3.12Å; P128-W130 VanDerWaalsContact C-N 3.34Å
131Y42Very low40.2Very low20 Ų2098 Ų988%0.07848%0.482CS..SBendtrans-144.7120.4-172.6-64.3-76.5000111.2L124 R133 I142L124-Y131 HydrophobicContact CD2-CD2 3.74Å; L124-Y131 HydrophobicContact CD2-CG 3.84Å; Y131-R133 PolarHBondContact O-N 2.94Å; Y131-I142 HydrophobicContact CD1-CD1 4.35Å; Y131-I142 HydrophobicContact CD1-CG1 3.4Å; Y131-I142 HydrophobicContact CD2-CG1 3.93Å; Y131-I142 HydrophobicContact CE1-CB 4Å; Y131-I142 HydrophobicContact CE1-CG1 3.23Å; Y131-I142 HydrophobicContact CE2-CG1 3.78Å; Y131-I142 HydrophobicContact CE2-CG2 4.39Å; Y131-I142 HydrophobicContact CG-CD1 4.41Å; Y131-I142 HydrophobicContact CG-CG1 3.75Å; Y131-I142 VanDerWaalsContact CZ-CG1 3.44Å
132P38.7Very low40Very low99 Ų9993.6 Ų93.664%0.64346%0.462SS*.  trans-61.5114.5174.623.1-30.2000109N134 S135 C138P132-N134 PolarHBondContact O-N 2.92Å; P132-S135 PolarHBondContact O-N 3.38Å; P132-C138 PolarHBondContact O-SG 3.34Å
133R37.4Very low39.7Very low202 Ų20286 Ų8676%0.76244%0.435SS*.THydrogen-bonded Turntrans-55.9-6.3-173.2-73.4-173.9174-173.80.4115.3Y131Y131-R133 PolarHBondContact O-N 2.94Å
134N37.6Very low39.5Very low159 Ų15989.7 Ų89.785%0.8545%0.449SS*.THydrogen-bonded Turntrans-111.96.4-171.5-63.7-11.2000114.1P132 L136P132-N134 PolarHBondContact O-N 2.92Å; N134-L136 PolarHBondContact O-N 2.9Å
135S35.8Very low39.1Very low44 Ų4495 Ų9531%0.30847%0.466SS..  trans-83.2114.8174.41600000109.9P132 N137 C138P132-S135 PolarHBondContact O-N 3.38Å; S135-N137 PolarHBondContact O-N 2.86Å; S135-N137 WeakPolarHBondContact OG-CA 3.31Å; S135-N137 PolarHBondContact OG-N 3.21Å; S135-N137 VanDerWaalsContact OG-N 3.16Å; S135-C138 VanDerWaalsContact O-CB 3.25Å; S135-C138 WeakPolarHBondContact O-CB 3.34Å; S135-C138 PolarHBondContact O-N 3.18Å; S135-C138 PolarHBondContact OG-N 2.91Å
136L35.3Very low38.9Very low174 Ų17486.9 Ų86.991%0.91144%0.437SS*.THydrogen-bonded Turntrans-53.1-18.5166.3-88.7148.7000112.4N134N134-L136 PolarHBondContact O-N 2.9Å
137N35.7Very low38.6Very low108 Ų10888 Ų8858%0.57844%0.44SS*.THydrogen-bonded Turntrans-103.612178.4-67.5-31.4000113.3S135 S139 A140 E141S135-N137 PolarHBondContact O-N 2.86Å; S135-N137 WeakPolarHBondContact OG-CA 3.31Å; S135-N137 PolarHBondContact OG-N 3.21Å; S135-N137 VanDerWaalsContact OG-N 3.16Å; N137-S139 VanDerWaalsContact C-N 3.31Å; N137-S139 PolarHBondContact O-N 2.85Å; N137-A140 PolarHBondContact O-N 3.13Å; N137-A140 VanDerWaalsContact O-N 3.14Å; N137-E141 PolarHBondContact O-N 3.05Å
138C33.2Very low38.4Very low17 Ų1789.3 Ų89.312%0.11545%0.445CS..Hα-helixtrans-55.5-49.8-176.1-121.70000110.2P132 S135 A140 E141 I142P132-C138 PolarHBondContact O-SG 3.34Å; S135-C138 VanDerWaalsContact O-CB 3.25Å; S135-C138 WeakPolarHBondContact O-CB 3.34Å; S135-C138 PolarHBondContact O-N 3.18Å; S135-C138 PolarHBondContact OG-N 2.91Å; C138-A140 PolarHBondContact O-N 3.42Å; C138-E141 PolarHBondContact O-N 3.43Å; C138-E141 VanDerWaalsContact O-N 3.15Å; C138-I142 HydrophobicContact CB-CD1 4.31Å; C138-I142 WeakPolarHBondContact O-CD1 3.34Å; C138-I142 WeakPolarHBondContact O-CG1 3.42Å; C138-I142 PolarHBondContact O-N 3.32Å
139S37.6Very low37.8Very low64 Ų6495.8 Ų95.845%0.44847%0.472SS..Hα-helixtrans-48.8-53.5174.948.10000112.1N137 E141 I142 L143N137-S139 VanDerWaalsContact C-N 3.31Å; N137-S139 PolarHBondContact O-N 2.85Å; S139-E141 PolarHBondContact O-N 3.46Å; S139-I142 PolarHBondContact O-N 3.24Å; S139-L143 WeakPolarHBondContact O-CB 3.36Å; S139-L143 WeakPolarHBondContact O-CD1 3.3Å; S139-L143 WeakPolarHBondContact O-CG 3.35Å; S139-L143 PolarHBondContact O-N 3.21Å
140A40.2Very low37.2Very low38 Ų3891 Ų9131%0.31445%0.451SS..Hα-helixtrans-64.5-40.1179.600000112.9N137 C138 L143 K144N137-A140 PolarHBondContact O-N 3.13Å; N137-A140 VanDerWaalsContact O-N 3.14Å; C138-A140 PolarHBondContact O-N 3.42Å; A140-L143 PolarHBondContact O-N 3.38Å; A140-K144 VanDerWaalsContact O-CG 3.28Å; A140-K144 WeakPolarHBondContact O-CG 3.19Å; A140-K144 PolarHBondContact O-N 3Å
141E39.7Very low36.6Very low64 Ų6490.3 Ų90.330%0.29947%0.468SS..Hα-helixtrans-64.1-39.1175.7-83.2-70.7122.100112.5N137 C138 S139 K144 R145N137-E141 PolarHBondContact O-N 3.05Å; C138-E141 PolarHBondContact O-N 3.43Å; C138-E141 VanDerWaalsContact O-N 3.15Å; S139-E141 PolarHBondContact O-N 3.46Å; E141-K144 PolarHBondContact O-N 3.02Å; E141-K144 IonicContact OE1-NZ 2.91Å; E141-K144 PolarHBondContact OE1-NZ 2.97Å; E141-R145 WeakPolarHBondContact O-CG 3.42Å; E141-R145 PolarHBondContact O-N 3.1Å; E141-R145 IonicContact OE2-NH2 3.83Å
142I41.1Very low35.9Very low0 Ų092 Ų920%048%0.478CS..Hα-helixtrans-67.5-41.3175.9-60144000110.2V120 L124 Y131 C138 S139 K144 R145 I146V120-I142 HydrophobicContact CG1-CB 4.35Å; V120-I142 HydrophobicContact CG1-CD1 4.15Å; V120-I142 HydrophobicContact CG1-CG2 4.02Å; L124-I142 HydrophobicContact CD1-CD1 3.29Å; L124-I142 HydrophobicContact CD2-CD1 3.06Å; L124-I142 HydrophobicContact CD2-CG1 3.75Å; L124-I142 HydrophobicContact CG-CD1 3.22Å; L124-I142 HydrophobicContact CG-CG1 4.21Å; Y131-I142 HydrophobicContact CD1-CD1 4.35Å; Y131-I142 HydrophobicContact CD1-CG1 3.4Å; Y131-I142 HydrophobicContact CD2-CG1 3.93Å; Y131-I142 HydrophobicContact CE1-CB 4Å; Y131-I142 HydrophobicContact CE1-CG1 3.23Å; Y131-I142 HydrophobicContact CE2-CG1 3.78Å; Y131-I142 HydrophobicContact CE2-CG2 4.39Å; Y131-I142 HydrophobicContact CG-CD1 4.41Å; Y131-I142 HydrophobicContact CG-CG1 3.75Å; Y131-I142 VanDerWaalsContact CZ-CG1 3.44Å; C138-I142 HydrophobicContact CB-CD1 4.31Å; C138-I142 WeakPolarHBondContact O-CD1 3.34Å; C138-I142 WeakPolarHBondContact O-CG1 3.42Å; C138-I142 PolarHBondContact O-N 3.32Å; S139-I142 PolarHBondContact O-N 3.24Å; I142-K144 VanDerWaalsContact C-N 3.29Å; I142-K144 PolarHBondContact O-N 3.44Å; I142-R145 CarbonylContact O-C 3.56Å; I142-R145 PolarHBondContact O-N 2.84Å; I142-I146 HydrophobicContact CG2-CD1 3.79Å; I142-I146 HydrophobicContact CG2-CG1 4.25Å; I142-I146 VanDerWaalsContact O-CG1 3.31Å; I142-I146 WeakPolarHBondContact O-CG1 3.25Å; I142-I146 PolarHBondContact O-N 3.05Å
143L40.9Very low35.2Very low35 Ų3593.1 Ų93.118%0.18349%0.488CS..Hα-helixtrans-65.5-33.3178.6-69.8172.1000112.4F116 V120 S139 A140 R145 I146 F154F116-L143 HydrophobicContact CD1-CD2 4.26Å; F116-L143 HydrophobicContact CE1-CD1 4.1Å; F116-L143 HydrophobicContact CE1-CD2 3.09Å; F116-L143 HydrophobicContact CE1-CG 4.23Å; F116-L143 HydrophobicContact CE2-CD2 4.27Å; F116-L143 HydrophobicContact CZ-CD2 3.09Å; V120-L143 HydrophobicContact CG2-CD2 3.61Å; V120-L143 HydrophobicContact CG2-CG 4.35Å; S139-L143 WeakPolarHBondContact O-CB 3.36Å; S139-L143 WeakPolarHBondContact O-CD1 3.3Å; S139-L143 WeakPolarHBondContact O-CG 3.35Å; S139-L143 PolarHBondContact O-N 3.21Å; A140-L143 PolarHBondContact O-N 3.38Å; L143-R145 VanDerWaalsContact C-N 3.27Å; L143-R145 PolarHBondContact O-N 3.36Å; L143-I146 HydrophobicContact CD2-CD1 4.15Å; L143-F154 HydrophobicContact CD1-CE1 4.38Å; L143-F154 HydrophobicContact CD1-CZ 3.86Å
144K41.9Very low34.7Very low144 Ų14489.6 Ų89.663%0.62648%0.479SS*.Hα-helixtrans-67.1-24.8170.5-71.2171.8-165.9171.30113.6A140 E141 I142A140-K144 VanDerWaalsContact O-CG 3.28Å; A140-K144 WeakPolarHBondContact O-CG 3.19Å; A140-K144 PolarHBondContact O-N 3Å; E141-K144 PolarHBondContact O-N 3.02Å; E141-K144 IonicContact OE1-NZ 2.91Å; E141-K144 PolarHBondContact OE1-NZ 2.97Å; I142-K144 VanDerWaalsContact C-N 3.29Å; I142-K144 PolarHBondContact O-N 3.44Å
145R37.1Very low34.1Very low157 Ų15787.2 Ų87.259%0.59247%0.472SS*.Hα-helixtrans-99.2-13-176.4-68.3-178.6-171.9-154.60.2113.7E141 I142 L143E141-R145 WeakPolarHBondContact O-CG 3.42Å; E141-R145 PolarHBondContact O-N 3.1Å; E141-R145 IonicContact OE2-NH2 3.83Å; I142-R145 CarbonylContact O-C 3.56Å; I142-R145 PolarHBondContact O-N 2.84Å; L143-R145 VanDerWaalsContact C-N 3.27Å; L143-R145 PolarHBondContact O-N 3.36Å
146I40.9Very low33.6Very low30 Ų3091.7 Ų91.715%0.15450%0.497CS..SBendtrans-73.4126.3174.7-74.2165.2000108.7V120 I123 I142 L143 F148V120-I146 HydrophobicContact CG2-CD1 4.32Å; I123-I146 HydrophobicContact CD1-CD1 4.36Å; I142-I146 HydrophobicContact CG2-CD1 3.79Å; I142-I146 HydrophobicContact CG2-CG1 4.25Å; I142-I146 VanDerWaalsContact O-CG1 3.31Å; I142-I146 WeakPolarHBondContact O-CG1 3.25Å; I142-I146 PolarHBondContact O-N 3.05Å; L143-I146 HydrophobicContact CD2-CD1 4.15Å; I146-F148 HydrophobicContact CG2-CB 4.24Å; I146-F148 HydrophobicContact CG2-CD2 3.41Å; I146-F148 VanDerWaalsContact CG2-CD2 3.41Å; I146-F148 HydrophobicContact CG2-CE2 4.19Å; I146-F148 HydrophobicContact CG2-CG 4.25Å; I146-F148 PolarHBondContact O-N 2.92Å
147P33.6Very low33.3Very low80 Ų8089.1 Ų89.152%0.51949%0.489SS..SBendtrans-75.729.6-169.831.4-37.5000114.5
148F35.1Very low32.8Very low83 Ų8388.1 Ų88.136%0.36449%0.487SS..  trans-118.8119.4-177.6-60.8-62.9000109.9M51 I146 M150M51-F148 HydrophobicContact CE-CD2 4.42Å; M51-F148 HydrophobicContact CE-CE2 3.66Å; M51-F148 HydrophobicContact CE-CZ 3.96Å; I146-F148 HydrophobicContact CG2-CB 4.24Å; I146-F148 HydrophobicContact CG2-CD2 3.41Å; I146-F148 VanDerWaalsContact CG2-CD2 3.41Å; I146-F148 HydrophobicContact CG2-CE2 4.19Å; I146-F148 HydrophobicContact CG2-CG 4.25Å; I146-F148 PolarHBondContact O-N 2.92Å; F148-M150 VanDerWaalsContact C-N 3.33Å; F148-M150 HydrophobicContact CB-CE 4Å; F148-M150 PolarHBondContact O-N 2.79Å
149E27.9Very low32.5Very low175 Ų17593.3 Ų93.382%0.81852%0.521SS*.  trans-58.698.5160.3-78.4-175.3151.500108.2
150M30Very low32.1Very low77 Ų7798 Ų9838%0.37954%0.54SS..  trans-110.8119.2160.3-74.5170.9-73.100106.5F116 F148 L152F116-M150 HydrophobicContact CD2-CE 4.42Å; F116-M150 HydrophobicContact CD2-SD 4.05Å; F116-M150 HydrophobicContact CE1-CE 4.46Å; F116-M150 HydrophobicContact CE2-CE 3.26Å; F116-M150 HydrophobicContact CE2-SD 3.39Å; F116-M150 WeakPolarHBondContact CE2-SD 3.41Å; F116-M150 HydrophobicContact CZ-CE 3.26Å; F116-M150 HydrophobicContact CZ-SD 3.74Å; F148-M150 VanDerWaalsContact C-N 3.33Å; F148-M150 HydrophobicContact CB-CE 4Å; F148-M150 PolarHBondContact O-N 2.79Å; M150-L152 HydrophobicContact CB-CD1 3.9Å; M150-L152 HydrophobicContact CB-CD2 4.49Å; M150-L152 HydrophobicContact CB-CG 3.77Å; M150-L152 PolarHBondContact O-N 2.83Å
151S25.8Very low31.4Very low127 Ų127103.6 Ų103.689%0.88856%0.564SS**  trans-6571.9169.3-47.50000108.8S153S151-S153 PolarHBondContact O-N 3.49Å
152L28Very low30.8Very low56 Ų56109 Ų10929%0.29359%0.594SS.*  trans-87.9109.7179.2-70.4164.2000107.9F116 M150 F154F116-L152 HydrophobicContact CD1-CD1 4.43Å; F116-L152 HydrophobicContact CE1-CD1 3.54Å; F116-L152 HydrophobicContact CE1-CD2 4.42Å; F116-L152 HydrophobicContact CZ-CD1 3.92Å; M150-L152 HydrophobicContact CB-CD1 3.9Å; M150-L152 HydrophobicContact CB-CD2 4.49Å; M150-L152 HydrophobicContact CB-CG 3.77Å; M150-L152 PolarHBondContact O-N 2.83Å; L152-F154 VanDerWaalsContact C-N 3.27Å; L152-F154 HydrophobicContact CB-CD2 3.79Å; L152-F154 HydrophobicContact CB-CE2 3.26Å; L152-F154 HydrophobicContact CB-CZ 3.75Å; L152-F154 HydrophobicContact CD1-CE2 3.83Å; L152-F154 HydrophobicContact CD1-CZ 3.76Å; L152-F154 HydrophobicContact CG-CE2 4.15Å; L152-F154 HydrophobicContact CG-CZ 4.28Å; L152-F154 WeakPolarHBondContact O-CD2 3.5Å; L152-F154 PolarHBondContact O-N 3.39Å
153S24.1Very low30.1Very low121 Ų121117.3 Ų117.385%0.84663%0.633SS**  trans-69.283.7170.5-440000108.6S151S151-S153 PolarHBondContact O-N 3.49Å
154F27.6Very low29.4Very low129 Ų129123 Ų12357%0.56666%0.663SS**  trans-78.2128.3172.3-71.4-75.5000109.5L143 L152 T156L143-F154 HydrophobicContact CD1-CE1 4.38Å; L143-F154 HydrophobicContact CD1-CZ 3.86Å; L152-F154 VanDerWaalsContact C-N 3.27Å; L152-F154 HydrophobicContact CB-CD2 3.79Å; L152-F154 HydrophobicContact CB-CE2 3.26Å; L152-F154 HydrophobicContact CB-CZ 3.75Å; L152-F154 HydrophobicContact CD1-CE2 3.83Å; L152-F154 HydrophobicContact CD1-CZ 3.76Å; L152-F154 HydrophobicContact CG-CE2 4.15Å; L152-F154 HydrophobicContact CG-CZ 4.28Å; L152-F154 WeakPolarHBondContact O-CD2 3.5Å; L152-F154 PolarHBondContact O-N 3.39Å; F154-T156 PolarHBondContact O-N 3.14Å; F154-T156 VanDerWaalsContact O-N 3.12Å
155P24.9Very low28.5Very low108 Ų108122.8 Ų122.870%0.70167%0.674SS**  trans-60.3119.4161.625.2-29.4000106.8T157P155-T157 VanDerWaalsContact C-N 3.28Å; P155-T157 PolarHBondContact O-N 3.48Å
156T25.5Very low28Very low138 Ų138120.8 Ų120.885%0.84768%0.682SS**  trans-58.893.1171.535.40000108.5F154 T158F154-T156 PolarHBondContact O-N 3.14Å; F154-T156 VanDerWaalsContact O-N 3.12Å; T156-T158 PolarHBondContact O-N 3.46Å; T156-T158 VanDerWaalsContact O-N 3.15Å
157T27.9Very low27.1Very low121 Ų121125.3 Ų125.374%0.74271%0.711SS**  trans-66.8111161.148.50000106.2P155P155-T157 VanDerWaalsContact C-N 3.28Å; P155-T157 PolarHBondContact O-N 3.48Å
158T25.9Very low26.6Very low86 Ų86127.2 Ų127.253%0.52872%0.724SS.*  trans-40.6144.6166.224.30000110.8T156 L160 F226T156-T158 PolarHBondContact O-N 3.46Å; T156-T158 VanDerWaalsContact O-N 3.15Å; T158-L160 PolarHBondContact O-N 3.37Å; T158-F226 HydrophobicContact CG2-CE1 4.26Å; T158-F226 HydrophobicContact CG2-CZ 4.12Å
159P25.8Very low26Very low127 Ų127128.2 Ų128.283%0.82574%0.742SS**  trans-61.1107.9179.426.2-30.6000107.7D161P159-D161 VanDerWaalsContact C-N 3.31Å; P159-D161 PolarHBondContact O-N 3.45Å
160L30.7Very low25.9Very low163 Ų163132.1 Ų132.185%0.85375%0.749SS**  trans-67.897.9169.5-90.1154.3000106.6T158 L162T158-L160 PolarHBondContact O-N 3.37Å; L160-L162 PolarHBondContact O-N 2.82Å
161D25.2Very low25.6Very low155 Ų155132.3 Ų132.383%0.82976%0.763SS**  trans-47.7125156.9-112.4-29.6000108.1P159 Q163P159-D161 VanDerWaalsContact C-N 3.31Å; P159-D161 PolarHBondContact O-N 3.45Å; D161-Q163 PolarHBondContact O-N 2.73Å
162L27.1Very low25.4Very low176 Ų176132 Ų13292%0.92176%0.758SS**SBendtrans-6387.7174.1-81.6140.4000109.9L160L160-L162 PolarHBondContact O-N 2.82Å
163Q25.6Very low25.3Very low176 Ų176137.3 Ų137.382%0.82279%0.786SS**  trans-143.7133153.8-67.7-163.4-100109.6D161D161-Q163 PolarHBondContact O-N 2.73Å
164D26.3Very low25.3Very low153 Ų153136 Ų13682%0.81878%0.777SS**  trans80.280.1172.1-55.7-24.1000118.3P166D164-P166 WeakPolarHBondContact O-CD 3.45Å
165V23.2Very low25.2Very low141 Ų141140.8 Ų140.886%0.85579%0.791SS**  trans-75.6129.8151.6176.90000108.4
166P26.2Very low25.2Very low115 Ų115142.1 Ų142.175%0.74780%0.8SS**  trans-118.2109.5143.927.9-14.9000109.7D164D164-P166 WeakPolarHBondContact O-CD 3.45Å
167T22.4Very low25.1Very low125 Ų125141 Ų14177%0.76779%0.793SS**  trans-0.6121.4143-25.10000115.2
168C23.2Very low24.8Very low119 Ų119140.1 Ų140.180%0.80479%0.791SS**  trans-165.9110.3142.7-120.10000113.8
169S23.5Very low24.7Very low104 Ų104145.3 Ų145.373%0.72781%0.807SS**  trans35.7106.1136.765.70000119.3A171S169-A171 PolarHBondContact O-N 2.86Å
170R25.3Very low24.6Very low257 Ų257150 Ų15097%0.9781%0.808SS**  trans-75.2107.1155.1-94.3178.9165.1162.8-1.9109.7
171A23.5Very low24.3Very low82 Ų82148.6 Ų148.668%0.67880%0.802SS**  trans-85.3136.5155.100000109.1S169S169-A171 PolarHBondContact O-N 2.86Å
172P22.6Very low24.2Very low119 Ų119149.7 Ų149.777%0.77380%0.802SS**  trans-85.6120.3-179.732.8-28.1000109.1
173L25.4Very low24.2Very low168 Ų168147.7 Ų147.788%0.8880%0.796SS**  trans-110.892.3171.1-82.4166.3000111.3
174S24.3Very low24Very low95 Ų95145.2 Ų145.266%0.66480%0.797SS**  trans-40.2138147.743.20000114.4
175R24.8Very low24.1Very low228 Ų228142.8 Ų142.886%0.8679%0.792SS**  trans63.6126.6155.8-71.9-177.9173.4176.9-1.5118.9V177R175-V177 PolarHBondContact O-N 3.48Å
176P25.4Very low24.3Very low136 Ų136145.9 Ų145.988%0.88379%0.794SS**  trans-78.5119.4169.732.7-29.5000109.8
177V23.5Very low24.3Very low115 Ų115149.5 Ų149.570%0.69780%0.801SS**  trans-105.5121.7168.3-178.20000107.4R175 F179R175-V177 PolarHBondContact O-N 3.48Å; V177-F179 HydrophobicContact CG1-CD2 3.7Å; V177-F179 HydrophobicContact CG1-CE2 3.59Å
178S21.4Very low24.5Very low103 Ų103149.4 Ų149.472%0.7280%0.803SS**  trans-78.3131.2171.464.50000109.8
179F23.9Very low24.7Very low194 Ų194147.4 Ų147.485%0.85180%0.795SS**  trans-144.6127.9151-83.4-73.8000110.7V177V177-F179 HydrophobicContact CG1-CD2 3.7Å; V177-F179 HydrophobicContact CG1-CE2 3.59Å
180R22.7Very low24.8Very low227 Ų227150.2 Ų150.286%0.85780%0.802SS**  trans-68.2159.6165.6-89.8-177.7170.2178.3-4.4110.6
181D25.4Very low24.9Very low133 Ų133143.4 Ų143.471%0.71179%0.793SS**  trans84.6111.7153.5-59.7-28.7000120
182Q23.6Very low24.9Very low177 Ų177146.7 Ų146.783%0.82780%0.8SS**  trans29.4128.4130.6-61.6-177.60.100118.2
183V25.8Very low25Very low134 Ų134145.5 Ų145.581%0.81279%0.794SS**  -179.6125.8117.1159.80000109.5
184C20.8Very low24.9Very low125 Ų125148.7 Ų148.785%0.84579%0.794SS**  trans-74.2140.5166.4-76.90000110.8
185S28.4Very low25Very low102 Ų102150.1 Ų150.171%0.71380%0.803SS**  trans-171.1114.4140.5250000114.5
186K29Very low24.9Very low206 Ų206149 Ų14990%0.89680%0.799SS**  trans57.2112.3130.9-59.2-176.9178.9-179.90121
187Q25.4Very low24.8Very low190 Ų190150.6 Ų150.689%0.88879%0.787SS**  trans-70.2160.8154.8-76-178.4-38.200112.6
188P27Very low24.9Very low123 Ų123153.3 Ų153.380%0.79979%0.792SS**  -139.2130116.631.3-14.9000112.1
189A26.2Very low25Very low78 Ų78152.9 Ų152.965%0.64579%0.79SS**  73105.287.700000115
190N25.8Very low25Very low162 Ų162150 Ų15087%0.86679%0.794SS**  trans127.190.8146.1-64.6-16000114.6
191S28.3Very low25.1Very low114 Ų114143.6 Ų143.680%0.79778%0.78SS**  178.8127.5128.455.50000110.6
192D23.9Very low25.1Very low151 Ų151149.3 Ų149.381%0.80779%0.791SS**  trans64.897.9155.3-76.8-36.3000122.8
193S24.3Very low25.1Very low94 Ų94148 Ų14866%0.65779%0.785SS**  47.491.1118.2740000119.2
194R23.9Very low25Very low235 Ų235145.8 Ų145.889%0.88778%0.776SS**SBend159.3110.4111.9-84.4175-170.5-168.43.6107.6
195C24.7Very low25Very low126 Ų126144.5 Ų144.585%0.85176%0.764SS**  trans53.489.9170.7-57.40000115.2
196R23.6Very low24.8Very low205 Ų205146.7 Ų146.777%0.77476%0.757SS**  35.2111.956.7-93.7-166.4172.7174.43.9109.6
197R24.3Very low24.5Very low168 Ų168142.3 Ų142.363%0.63474%0.743SS**  cis178.3149.845.6-105.8164-179.2178.5-1.3107
198Q25.3Very low24.5Very low172 Ų172137.6 Ų137.680%0.80473%0.728SS**  trans65121.5144-63.2161.9-26.500115.7
199S23.4Very low24.5Very low95 Ų95139.2 Ų139.266%0.66473%0.729SS**  cis-162.4119.617.940.90000105.8T201S199-T201 PolarHBondContact O-N 2.96Å
200S23.7Very low24.5Very low133 Ų133140.6 Ų140.693%0.9374%0.735SS**  trans-76.772171.667.40000109.1
201T24.8Very low24.6Very low92 Ų92135.1 Ų135.156%0.56471%0.709SS**  trans-117.381.7164-20.50000105.3S199 Q203S199-T201 PolarHBondContact O-N 2.96Å; T201-Q203 HydrophobicContact CG2-CG 3.89Å; T201-Q203 PolarHBondContact O-N 2.88Å
202R24.4Very low24.5Very low254 Ų254139.2 Ų139.296%0.95871%0.708SS**  trans-70.772.8154.9-88-173169.1176.7-2.5106.5S204R202-S204 VanDerWaalsContact C-N 3.3Å; R202-S204 PolarHBondContact O-N 2.89Å; R202-S204 VanDerWaalsContact O-N 3.12Å
203Q23.6Very low24.7Very low148 Ų148135.3 Ų135.369%0.69270%0.704SS**  trans-62.7103.3152-87172.6-10.800104.9T201 V205T201-Q203 HydrophobicContact CG2-CG 3.89Å; T201-Q203 PolarHBondContact O-N 2.88Å; Q203-V205 HydrophobicContact CB-CG2 4Å; Q203-V205 PolarHBondContact O-N 2.64Å
204S23.7Very low25Very low88 Ų88137.9 Ų137.962%0.61571%0.71SS**  trans-60.187.7150.348.60000106.1R202 Y206R202-S204 VanDerWaalsContact C-N 3.3Å; R202-S204 PolarHBondContact O-N 2.89Å; R202-S204 VanDerWaalsContact O-N 3.12Å; S204-Y206 VanDerWaalsContact C-N 3.27Å; S204-Y206 WeakPolarHBondContact O-CD2 3.38Å; S204-Y206 PolarHBondContact O-N 2.8Å
205V21.9Very low25.3Very low98 Ų98131 Ų13159%0.59469%0.69SS**  trans-69.696.2167.6179.80000105.2Q203 L207Q203-V205 HydrophobicContact CB-CG2 4Å; Q203-V205 PolarHBondContact O-N 2.64Å; V205-L207 VanDerWaalsContact C-N 3.34Å; V205-L207 HydrophobicContact CG1-CD2 4.3Å; V205-L207 HydrophobicContact CG1-CG 4.25Å; V205-L207 PolarHBondContact O-N 3.21Å
206Y22.7Very low25.4Very low149 Ų149129.4 Ų129.458%0.58468%0.681SS**  trans-65.1101162.9-74.4-91.1000106.5S204 T208S204-Y206 VanDerWaalsContact C-N 3.27Å; S204-Y206 WeakPolarHBondContact O-CD2 3.38Å; S204-Y206 PolarHBondContact O-N 2.8Å; Y206-T208 VanDerWaalsContact C-N 3.31Å; Y206-T208 PolarHBondContact O-N 3.15Å
207L22.7Very low25.6Very low113 Ų113124 Ų12459%0.59267%0.672SS**  trans-70.891.7170.3-75.8163.4000107.6V205V205-L207 VanDerWaalsContact C-N 3.34Å; V205-L207 HydrophobicContact CG1-CD2 4.3Å; V205-L207 HydrophobicContact CG1-CG 4.25Å; V205-L207 PolarHBondContact O-N 3.21Å
208T25.2Very low25.8Very low92 Ų92120.1 Ų120.156%0.56467%0.667SS**  trans-73.1147.1159.645.10000109Y206 S210 S211Y206-T208 VanDerWaalsContact C-N 3.31Å; Y206-T208 PolarHBondContact O-N 3.15Å; T208-S210 PolarHBondContact O-N 2.99Å; T208-S211 PolarHBondContact O-N 3.47Å; T208-S211 PolarHBondContact O-OG 3.48Å
209D27.7Very low25.9Very low156 Ų156117 Ų11783%0.83466%0.655SS**THydrogen-bonded Turntrans-50.3-2.6-173.8-81.4-38000117
210S26.5Very low26.1Very low108 Ų108117.6 Ų117.676%0.75565%0.651SS**THydrogen-bonded Turntrans-89.92.517650.90000115.4T208T208-S210 PolarHBondContact O-N 2.99Å
211S27.1Very low26.4Very low47 Ų47118.5 Ų118.533%0.32964%0.641SS.*  trans-106.30.5-167-38.20000116T208 G213T208-S211 PolarHBondContact O-N 3.47Å; T208-S211 PolarHBondContact O-OG 3.48Å; S211-G213 PolarHBondContact O-N 3.34Å; S211-G213 VanDerWaalsContact O-N 3.1Å
212Y26.8Very low26.4Very low199 Ų199117.5 Ų117.578%0.7864%0.637SS**THydrogen-bonded Turntrans-72.2-1.4-166.7-106.1-91.3000116.3
213G28.4Very low26.4Very low70 Ų70109 Ų10972%0.72261%0.611SS**THydrogen-bonded Turntrans-89.1-12.9-17200000117.4S211S211-G213 PolarHBondContact O-N 3.34Å; S211-G213 VanDerWaalsContact O-N 3.1Å
214N31.3Very low26.7Very low148 Ų148107.6 Ų107.679%0.79161%0.608SS**SBendtrans-120.910.4-163.8-82.6-13000116.4
215L28.9Very low27Very low89 Ų89110 Ų11047%0.46661%0.609SS.*  trans-91.7-0.2-176-82.3160.4000115.5V218L215-V218 PolarHBondContact O-N 3.12Å
216S28.2Very low27.3Very low93 Ų93111.3 Ų111.365%0.6561%0.607SS**Hα-helixtrans-63.6-32.6-173.8-154.70000116.3
217P27.9Very low27.5Very low91 Ų91108 Ų10859%0.59161%0.606SS**Hα-helixtrans-88.2-10.4-178.930.3-30.4000114.9
218V27.5Very low27.9Very low87 Ų87107 Ų10753%0.52761%0.605SS.*Hα-helixtrans-88.1-26.4-179.5-179.50000111.6L215L215-V218 PolarHBondContact O-N 3.12Å
219L27.5Very low28.1Very low106 Ų106108.4 Ų108.456%0.55561%0.606SS**Hα-helixtrans-76-32.8177.6-71165.4000112.5Q221 C222 D223L219-Q221 VanDerWaalsContact C-N 3.29Å; L219-Q221 PolarHBondContact O-N 3.46Å; L219-C222 PolarHBondContact O-N 3.4Å; L219-D223 PolarHBondContact O-N 3.25Å
220D26.8Very low28.1Very low108 Ų108110.6 Ų110.658%0.57860%0.603SS**Hα-helixtrans-70.9-19.8178.8-80.8-21.7000113.9N224D220-N224 PolarHBondContact O-ND2 3.2Å; D220-N224 VanDerWaalsContact O-ND2 3.16Å
221Q29.7Very low28.4Very low152 Ų152113 Ų11371%0.7160%0.602SS**Hα-helixtrans-78.5-30.5173.7-99.6177-3.100112.8L219L219-Q221 VanDerWaalsContact C-N 3.29Å; L219-Q221 PolarHBondContact O-N 3.46Å
222C25.3Very low28.4Very low71 Ų71120.7 Ų120.748%0.4862%0.624SS.*Hα-helixtrans-78.7-31.1-179.7-69.50000113L219 N224L219-C222 PolarHBondContact O-N 3.4Å; C222-N224 VanDerWaalsContact C-N 3.32Å; C222-N224 PolarHBondContact O-N 2.91Å
223D25.6Very low28.5Very low77 Ų77115.8 Ų115.841%0.41262%0.618SS.*Hα-helixtrans-72.8-23.5179.5-82.5-15.1000113.1N2 L219 S227N2-D223 PolarHBondContact ND2-OD2 3.38Å; L219-D223 PolarHBondContact O-N 3.25Å; D223-S227 PolarHBondContact O-OG 3.38Å
224N29.1Very low28.4Very low118 Ų118118.2 Ų118.263%0.63161%0.614SS**Hα-helixtrans-80.4-26.4176.7-81-48.1000113.7D220 C222D220-N224 PolarHBondContact O-ND2 3.2Å; D220-N224 VanDerWaalsContact O-ND2 3.16Å; C222-N224 VanDerWaalsContact C-N 3.32Å; C222-N224 PolarHBondContact O-N 2.91Å
225E30.6Very low28.3Very low138 Ų138120.2 Ų120.265%0.64562%0.616SS**Hα-helixtrans-79.2-28.8176.4-73.1-172.4160.500112.9T228E225-T228 PolarHBondContact O-OG1 2.89Å
226F28.5Very low28.4Very low125 Ų125125.3 Ų125.355%0.54863%0.634SS.*Hα-helixtrans-72.8-29.7175.9-97-85.5000113.9T158T158-F226 HydrophobicContact CG2-CE1 4.26Å; T158-F226 HydrophobicContact CG2-CZ 4.12Å
227S26.6Very low28.3Very low80 Ų80131.5 Ų131.556%0.55964%0.644SS**Hα-helixtrans-71.7-30.6-179.1-66.10000112.8D223D223-S227 PolarHBondContact O-OG 3.38Å
228T31.6Very low28.1Very low93 Ų93131.8 Ų131.857%0.57165%0.647SS**Hα-helixtrans-80.9-20.4179.755.70000113.8E225E225-T228 PolarHBondContact O-OG1 2.89Å
229M27.6Very low28Very low121 Ų121136.6 Ų136.660%0.59666%0.664SS**Hα-helixtrans-80.1-32.2176.5-120.5-177.1-70.300112.7R232 S233M229-R232 PolarHBondContact O-N 2.8Å; M229-S233 PolarHBondContact O-N 2.78Å; M229-S233 PolarHBondContact O-OG 3.36Å
230R29.5Very low27.7Very low201 Ų201140.7 Ų140.776%0.75868%0.68SS**Hα-helixtrans-73.9-29-175.8-145.3175.2-173.8-176.91.4113.4
231E31.9Very low27.6Very low158 Ų158142.9 Ų142.974%0.73869%0.691SS**Hα-helixtrans-74.9-23.5173-81.3-171.8151.500113.7
232R27.1Very low27.4Very low210 Ų210140.1 Ų140.179%0.79269%0.689SS**Hα-helixtrans-80.7-28.2177-77.3-178.7173.8175.9-0.4113.3M229M229-R232 PolarHBondContact O-N 2.8Å
233S28.4Very low27.3Very low95 Ų95145.2 Ų145.266%0.66471%0.71SS**Hα-helixtrans-85.2-17.4-178.6-57.60000114.4M229 K235M229-S233 PolarHBondContact O-N 2.78Å; M229-S233 PolarHBondContact O-OG 3.36Å; S233-K235 VanDerWaalsContact C-N 3.34Å
234L27.1Very low27.3Very low122 Ų122150.5 Ų150.564%0.63973%0.732SS**G310 helixtrans-80.9-11175.8-84.4156.6000113.9
235K28.9Very low27.1Very low190 Ų190154.6 Ų154.683%0.82675%0.748SS**G310 helixtrans-91.15.7-177.4-115.9177.1-178.7176.40115.6S233S233-K235 VanDerWaalsContact C-N 3.34Å
236K31.5Very low26.9Very low195 Ų195150.9 Ų150.985%0.84875%0.746SS**G310 helixtrans-111.617178.8-80.4-171175.3-176.70115.1S238K236-S238 PolarHBondContact O-N 3.43Å
237R24.9Very low26.6Very low224 Ų224155.6 Ų155.685%0.84576%0.762SS**  trans-93.986.2170.6-83.1-175.9175.4178.4-1.6111
238S24.1Very low26.4Very low96 Ų96162.3 Ų162.367%0.67178%0.781SS**  trans-17560.5159.9590000112K236K236-S238 PolarHBondContact O-N 3.43Å
239H25.4Very low26.1Very low189 Ų189163.3 Ų163.388%0.87579%0.792SS**  trans-141.3108.2156.9-81.8-63.7000110.1
240Q22.5Very low25.9Very low192 Ų192162 Ų16290%0.89780%0.795SS**  trans-81.1120.4172.8178.9-178.49.100107.9
241L24.2Very low25.6Very low153 Ų153158.1 Ų158.180%0.80180%0.796SS**  trans-147.388.9168.5-87.5154.8000105.5
242S25.3Very low25.3Very low95 Ų95158.6 Ų158.666%0.66480%0.803SS**  58.3103.994.165.40000113.5E244S242-E244 PolarHBondContact O-N 3.32Å
243L22.9Very low25.2Very low177 Ų177156.1 Ų156.193%0.92780%0.8SS**  trans-47.6122164.5-125.982.7000110.5
244E26.1Very low25.1Very low189 Ų189156.5 Ų156.588%0.88380%0.801SS**  trans-131.7130.7153.4-83.3-162.8160.700108.8S242S242-E244 PolarHBondContact O-N 3.32Å
245E25.4Very low25.1Very low203 Ų203157.1 Ų157.195%0.94980%0.801SS**  trans-63.4124.9-177.2-64.1165143.200110.8
246G25Very low25Very low60 Ų60158.1 Ų158.162%0.61980%0.8SS**  trans-171.998.517800000113.4
247Y23.3Very low24.9Very low225 Ų225155.6 Ų155.688%0.88279%0.791SS**  trans71.172.6159.2-64.7-90.4000118.2
248F22.7Very low25.1Very low220 Ų220149.8 Ų149.897%0.96578%0.782SS**  trans-9997.5138.1-77.7-83.3000107.6S250F248-S250 PolarHBondContact O-N 2.94Å
249S23.9Very low25.5Very low114 Ų114152.9 Ų152.980%0.79779%0.786SS**  trans-65.4117.1166.538.40000108.5
250S22.8Very low25.7Very low94 Ų94150.1 Ų150.166%0.65778%0.783SS**  trans-3.7140.4167.7-168.50000117.3F248 L252F248-S250 PolarHBondContact O-N 2.94Å; S250-L252 PolarHBondContact O-N 3.27Å
251P24.7Very low26Very low120 Ų120151.2 Ų151.278%0.77978%0.78SS**  trans-54.2113.9165.226-32.3000107.8E253P251-E253 PolarHBondContact O-N 3.35Å
252L24.7Very low26.3Very low167 Ų167151.3 Ų151.387%0.87478%0.781SS**  trans-58.9122176-88.2153.8000107.7S250 C254S250-L252 PolarHBondContact O-N 3.27Å; L252-C254 PolarHBondContact O-N 3.33Å; L252-C254 VanDerWaalsContact O-N 3.13Å
253E24.8Very low26.5Very low159 Ų159152.7 Ų152.774%0.74378%0.781SS**  trans-51.2114.4175.6-68.2176.5153.800109.7P251 Q255P251-E253 PolarHBondContact O-N 3.35Å; E253-Q255 VanDerWaalsContact C-N 3.32Å; E253-Q255 PolarHBondContact O-N 3.24Å
254C26.2Very low26.7Very low102 Ų102150.2 Ų150.269%0.68978%0.776SS**  trans-65.596.8162.7-70.90000107.7L252 W256L252-C254 PolarHBondContact O-N 3.33Å; L252-C254 VanDerWaalsContact O-N 3.13Å; C254-W256 PolarHBondContact O-N 3.25Å
255Q27.8Very low26.8Very low135 Ų135147.8 Ų147.863%0.63177%0.768SS**  trans-75.1122.9171-74.6-174.3-1.200109.6E253 H257E253-Q255 VanDerWaalsContact C-N 3.32Å; E253-Q255 PolarHBondContact O-N 3.24Å; Q255-H257 PolarHBondContact O-N 3.34Å
256W26.7Very low26.8Very low212 Ų212142.1 Ų142.180%0.80376%0.764SS**  trans-64.7113.4170.2-109.783000109.4C254C254-W256 PolarHBondContact O-N 3.25Å
257H30.2Very low27.1Very low141 Ų141147.3 Ų147.365%0.65377%0.773SS**  trans-112.2106.5167.8-82.6-54.9000110.2Q255 E259Q255-H257 PolarHBondContact O-N 3.34Å; H257-E259 VanDerWaalsContact C-N 3.26Å; H257-E259 PolarHBondContact O-N 2.92Å
258P28Very low27.3Very low103 Ų103147 Ų14767%0.66978%0.776SS**  trans-73.985.5166.229.6-30.1000108.3T260P258-T260 PolarHBondContact O-N 3.29Å
259E34.1Very low27.6Very low161 Ų161142.4 Ų142.475%0.75277%0.766SS**  trans-72.2112.7167.5-79-167.8165.400109.3H257 Y261H257-E259 VanDerWaalsContact C-N 3.26Å; H257-E259 PolarHBondContact O-N 2.92Å; E259-Y261 PolarHBondContact O-N 3.34Å
260T27.6Very low27.6Very low131 Ų131145.7 Ų145.780%0.80477%0.771SS**  trans-69.9103.5177.914.80000108.2P258 D262P258-T260 PolarHBondContact O-N 3.29Å; T260-D262 PolarHBondContact O-N 3.21Å; T260-D262 VanDerWaalsContact O-N 3.1Å
261Y29.3Very low27.8Very low214 Ų214146.3 Ų146.384%0.83977%0.772SS**  trans-73.1101.3161.5-85.5-91.4000107.7E259 N263E259-Y261 PolarHBondContact O-N 3.34Å; Y261-N263 PolarHBondContact O-N 2.76Å
262D30.2Very low27.9Very low155 Ų155143.8 Ų143.883%0.82977%0.769SS**  trans-49.3100.3164-83.5-35.8000108.5T260 P264T260-D262 PolarHBondContact O-N 3.21Å; T260-D262 VanDerWaalsContact O-N 3.1Å; D262-P264 WeakPolarHBondContact O-CD 3.22Å
263N29.4Very low28Very low124 Ų124143.5 Ų143.566%0.66377%0.768SS**  trans-89.7106.1170.1-156.4-2.2000106.7Y261 L265Y261-N263 PolarHBondContact O-N 2.76Å; N263-L265 PolarHBondContact O-N 3.42Å
264P27.2Very low28.1Very low126 Ų126140.3 Ų140.382%0.81876%0.763SS**SBendtrans-69.410.4-17728.1-35000114D262D262-P264 WeakPolarHBondContact O-CD 3.22Å
265L28.7Very low28.2Very low137 Ų137140.2 Ų140.272%0.71776%0.764SS**SBendtrans-11290.8176-76.7153.5000108.3N263 E267N263-L265 PolarHBondContact O-N 3.42Å; L265-E267 PolarHBondContact O-N 2.92Å
266G25.9Very low28.1Very low84 Ų84135.4 Ų135.487%0.86675%0.75SS**  trans-64.963.1-174.600000115.8
267E30.7Very low28.1Very low170 Ų170129.7 Ų129.779%0.79474%0.739SS**  trans-105.9106.8167-75.6-171163.500110.6L265 T269L265-E267 PolarHBondContact O-N 2.92Å; E267-T269 PolarHBondContact O-N 3.05Å; E267-T269 PolarHBondContact O-OG1 3Å
268K27.5Very low27.8Very low219 Ų219125.9 Ų125.995%0.95273%0.727SS**  trans-55.491.6173-68.8174.8176.1176.10110.5
269T29Very low27.7Very low123 Ų123124.5 Ų124.576%0.75572%0.717SS**  trans-121118.316641.20000108.5E267E267-T269 PolarHBondContact O-N 3.05Å; E267-T269 PolarHBondContact O-OG1 3Å
270M25.1Very low27.4Very low182 Ų182119.8 Ų119.890%0.89770%0.701SS**  trans-58.1143.1176.4-67.2-160.1-174.800110.2G272M270-G272 VanDerWaalsContact C-N 3.31Å; M270-G272 PolarHBondContact O-N 3.44Å
271P26.4Very low27.3Very low107 Ų107118.8 Ų118.870%0.69569%0.689SS**  trans-77.883.3-177.432.3-32000109.5N273P271-N273 PolarHBondContact O-N 3.37Å
272G27.1Very low27.1Very low68 Ų68114.7 Ų114.770%0.70168%0.678SS**SBendtrans-77.11172.700000114.2M270M270-G272 VanDerWaalsContact C-N 3.31Å; M270-G272 PolarHBondContact O-N 3.44Å
273N27Very low26.8Very low161 Ų161112.9 Ų112.986%0.86168%0.678SS**  trans-161.575178.4-80.8-35.6000107.8P271P271-N273 PolarHBondContact O-N 3.37Å
274S25.7Very low26.6Very low92 Ų92111 Ų11164%0.64367%0.67SS**  trans-91.499166.950.40000107.9G276S274-G276 PolarHBondContact O-N 3.08Å
275S28.1Very low26.4Very low99 Ų99114.3 Ų114.369%0.69268%0.675SS**  trans-66.199.1166.153.10000107.4V277S275-V277 PolarHBondContact O-N 3.42Å; S275-V277 VanDerWaalsContact O-N 3.13Å
276G25.7Very low26.2Very low34 Ų34110.2 Ų110.235%0.35167%0.666SS.*  trans-65.5108.2172.100000108.7S274 C278S274-G276 PolarHBondContact O-N 3.08Å; G276-C278 PolarHBondContact O-N 3.46Å
277V26.2Very low26.1Very low93 Ų93115.1 Ų115.156%0.56467%0.667SS**  trans-82.4105.9171.1-177.20000106.5S275 T279S275-V277 PolarHBondContact O-N 3.42Å; S275-V277 VanDerWaalsContact O-N 3.13Å; V277-T279 HydrophobicContact CG1-CG2 4.04Å; V277-T279 PolarHBondContact O-N 3.24Å
278C25.2Very low25.7Very low60 Ų60114.3 Ų114.341%0.40566%0.662SS.*EExtended strand (participates in β ladder)trans-76.9108.7167.1-145.30000107.1G276 C294G276-C278 PolarHBondContact O-N 3.46Å; C278-C294 HydrophobicContact CB-CB 3.98Å; C278-C294 PolarHBondContact O-N 2.63Å
279T26.5Very low25.4Very low74 Ų74114.3 Ų114.345%0.45466%0.656SS.*EExtended strand (participates in β ladder)trans-91.2105.4171.841.90000109.6V277 I281 A291 F292V277-T279 HydrophobicContact CG1-CG2 4.04Å; V277-T279 PolarHBondContact O-N 3.24Å; T279-I281 PolarHBondContact O-N 3.46Å; T279-A291 HydrophobicContact CG2-CB 4.35Å; T279-F292 WeakPolarHBondContact CA-O 3.31Å
280C26.3Very low25.1Very low62 Ų62112.8 Ų112.842%0.41964%0.643SS.*EExtended strand (participates in β ladder)trans-78.1109.5163.2-64.80000107.8E282C280-E282 PolarHBondContact O-N 2.93Å
281I25.8Very low25Very low110 Ų110108 Ų10856%0.56463%0.633SS**EExtended strand (participates in β ladder)trans-89.9101.2176.1-58.3173.9000107.3T279 W289T279-I281 PolarHBondContact O-N 3.46Å; I281-W289 HydrophobicContact CG2-CE3 3.84Å; I281-W289 HydrophobicContact CG2-CZ3 3.86Å
282E25.6Very low24.9Very low128 Ų128107.9 Ų107.960%0.59862%0.622SS**EExtended strand (participates in β ladder)trans-81.5113.9161.8-88.6-174.5156.800108.5C280 V284C280-E282 PolarHBondContact O-N 2.93Å; E282-V284 HydrophobicContact CB-CG2 4.46Å; E282-V284 PolarHBondContact O-N 3.21Å; E282-V284 VanDerWaalsContact O-N 3.13Å
283S24Very low24.7Very low117 Ų117107.6 Ų107.682%0.81862%0.618SS**  trans-70.497.3164.8159.30000108.5
284V24.4Very low24.5Very low84 Ų84103.3 Ų103.351%0.50960%0.6SS.*  trans-94.4127.2165.4-172.20000107.3E282 G286E282-V284 HydrophobicContact CB-CG2 4.46Å; E282-V284 PolarHBondContact O-N 3.21Å; E282-V284 VanDerWaalsContact O-N 3.13Å; V284-G286 PolarHBondContact O-N 3.13Å; V284-G286 VanDerWaalsContact O-N 3.17Å
285E24.5Very low24.4Very low196 Ų196104.4 Ų104.492%0.91661%0.608SS**SBendtrans-47.7120.3176.9-70.4178.4147.500111.4
286G22.7Very low24.3Very low52 Ų52106 Ų10654%0.53661%0.609SS.*SBendtrans104.599.9173.500000115.2V284 H288V284-G286 PolarHBondContact O-N 3.13Å; V284-G286 VanDerWaalsContact O-N 3.17Å; G286-H288 PolarHBondContact O-N 3.26Å
287E24.1Very low24.2Very low187 Ų187112.7 Ų112.787%0.87463%0.63SS**SBendtrans44.15.4157-62.4-167.9158.600121.2
288H22.7Very low24.1Very low152 Ų152118 Ų11870%0.70465%0.646SS**  trans-128.6115.8-173.4-66-43.4000112.6G286G286-H288 PolarHBondContact O-N 3.26Å
289W22.4Very low24Very low219 Ų219123 Ų12383%0.8366%0.664SS**  trans-88.8122.4173.6-58.186.1000109.6I281I281-W289 HydrophobicContact CG2-CE3 3.84Å; I281-W289 HydrophobicContact CG2-CZ3 3.86Å
290L22.5Very low23.8Very low91 Ų91126.4 Ų126.448%0.47668%0.678SS.*EExtended strand (participates in β ladder)trans-99.3108.2169.7-86158.1000108.8F292L290-F292 HydrophobicContact CB-CD2 4.4Å; L290-F292 HydrophobicContact CB-CE2 3.9Å
291A22.9Very low23.7Very low82 Ų82132 Ų13268%0.67870%0.698SS**EExtended strand (participates in β ladder)trans-89110.516900000109.2T279T279-A291 HydrophobicContact CG2-CB 4.35Å
292F24Very low23.5Very low105 Ų105132 Ų13246%0.46171%0.707SS.*EExtended strand (participates in β ladder)trans-90.2116.9167-70-86.8000108.5T279 L290T279-F292 WeakPolarHBondContact CA-O 3.31Å; L290-F292 HydrophobicContact CB-CD2 4.4Å; L290-F292 HydrophobicContact CB-CE2 3.9Å
293G22.5Very low23.5Very low61 Ų61130.7 Ų130.763%0.62971%0.71SS**EExtended strand (participates in β ladder)trans-88.5117171.600000110.5
294C23.6Very low23.4Very low71 Ų71131 Ų13148%0.4871%0.707SS.*EExtended strand (participates in β ladder)trans-85.5131.8166.5-64.90000109.8C278C278-C294 HydrophobicContact CB-CB 3.98Å; C278-C294 PolarHBondContact O-N 2.63Å
295S23.9Very low23.2Very low115 Ų115133 Ų13380%0.80472%0.719SS**  trans-110.5115.4165.552.80000108.7
296D25Very low23.1Very low134 Ų134129.4 Ų129.472%0.71771%0.71SS**  trans9119.4173.7-60.1-29.5000120.1
297H23.5Very low23.1Very low173 Ų173133.5 Ų133.580%0.80172%0.716SS**  trans-66.6137.6157.8-83.7-86.3000111.5
298F23.9Very low23Very low206 Ų206132 Ų13290%0.90472%0.719SS**  trans-121.3123.1134-91.9-84.4000108.1
299E22.8Very low22.9Very low164 Ų164129.7 Ų129.777%0.76671%0.707SS**  trans-49146.7171.7-60.8161.3155.600110.5
300I23.8Very low22.8Very low146 Ų146127.9 Ų127.975%0.74971%0.713SS**  -163.7125.472-76.9161.1000108.9
301E24.2Very low22.8Very low179 Ų179129.6 Ų129.684%0.83672%0.722SS**  trans39111.4138-53.2179.7151.900121.5
302S20.1Very low22.6Very low109 Ų109130.9 Ų130.976%0.76273%0.726SS**  trans-17.9168.5135-163.90000117.3
303P26.9Very low22.5Very low101 Ų101132 Ų13266%0.65675%0.745SS**  cis-129.9-172.9-32.629-6.8000110.8
304V21.2Very low22.5Very low124 Ų124135 Ų13575%0.75275%0.752SS**  trans68.2115.5158.1-1740000117.5
305V21.4Very low22.5Very low126 Ų126142.2 Ų142.276%0.76478%0.775SS**  trans57.2116.4153.9-177.40000118.1
306T22.4Very low22.4Very low120 Ų120140.6 Ų140.674%0.73677%0.768SS**  trans-178.3113.6148.329.30000109.2
307E21.8Very low22.3Very low139 Ų139137.9 Ų137.965%0.6577%0.772SS**  48.8107.792.1-74.6-169.6167.800113.6F309E307-F309 HydrophobicContact CB-CD2 4.36Å; E307-F309 HydrophobicContact CB-CE2 3.91Å; E307-F309 WeakPolarHBondContact O-CD2 3.17Å; E307-F309 PolarHBondContact O-N 3.2Å; E307-F309 VanDerWaalsContact O-N 3.14Å
308T21.7Very low22.3Very low154 Ų154136.6 Ų136.695%0.94578%0.777SS**  trans-65103.3176-120000110.1
309F20.8Very low22.2Very low104 Ų104132.1 Ų132.146%0.45677%0.771SS.*  trans-99122.5165.9-75.5-85.7000110E307 L311 K323E307-F309 HydrophobicContact CB-CD2 4.36Å; E307-F309 HydrophobicContact CB-CE2 3.91Å; E307-F309 WeakPolarHBondContact O-CD2 3.17Å; E307-F309 PolarHBondContact O-N 3.2Å; E307-F309 VanDerWaalsContact O-N 3.14Å; F309-L311 PolarHBondContact O-N 2.98Å; F309-K323 HydrophobicContact CE1-CG 4.23Å
310L20.3Very low22.2Very low181 Ų181134.5 Ų134.595%0.94878%0.779SS**  trans-74.5113.1167-89.4152000108.6
311L21.6Very low22.3Very low128 Ų128134.3 Ų134.367%0.6778%0.778SS**  trans-120.4109.2169.4-84.9159.1000109.6F309 L321F309-L311 PolarHBondContact O-N 2.98Å; L311-L321 HydrophobicContact CD2-CD2 4.35Å
312S20.6Very low22.2Very low109 Ų109134.9 Ų134.976%0.76278%0.781SS**  trans-79.3127.216550.90000108.9
313C21.2Very low22.5Very low128 Ų128137.8 Ų137.887%0.86578%0.78SS**  trans-105.2107.9169.3-73.90000109.4
314T22.3Very low22.4Very low125 Ų125138.8 Ų138.877%0.76779%0.787SS**  trans-86.7149162.741.30000109.7A316T314-A316 PolarHBondContact O-N 3.1Å
315K22.7Very low22.5Very low222 Ų222137.8 Ų137.897%0.96579%0.791SS**SBendtrans-63.289.8174.8-79.9179.4172.31790110.6
316A22.8Very low22.7Very low80 Ų80138.8 Ų138.866%0.66180%0.797SS**SBendtrans168.1126.2151.200000106.9T314 T318T314-A316 PolarHBondContact O-N 3.1Å; A316-T318 PolarHBondContact O-N 3.23Å
317G23.2Very low22.9Very low78 Ų78141.9 Ų141.980%0.80480%0.803SS**  trans-55.8125.8175.800000111.3
318T22.2Very low23Very low146 Ų146143 Ų14390%0.89681%0.814SS**  trans175.5120.3142.429.40000108.5A316A316-T318 PolarHBondContact O-N 3.23Å
319S21.6Very low23.1Very low112 Ų112143.3 Ų143.378%0.78381%0.809SS**  trans-84132.3-177.358.60000112.5
320K23.9Very low23.2Very low214 Ų214147 Ų14793%0.9383%0.827SS**  trans-142.8114.7152.5-74.7-167.8178.3179.20110
321L25.1Very low23.5Very low141 Ų141147 Ų14774%0.73882%0.822SS**  trans-87.3128.4175.4-87153.8000110.2L311L311-L321 HydrophobicContact CD2-CD2 4.35Å
322Q23.2Very low23.6Very low192 Ų192149.5 Ų149.590%0.89783%0.831SS**  trans-126.7124.8168.2-117179.90.700108.8
323K25.8Very low23.8Very low170 Ų170150.4 Ų150.474%0.73983%0.834SS**  trans-83.7137176.7-87.9-177.8170.3-175.10111.1F309F309-K323 HydrophobicContact CE1-CG 4.23Å
324P24.6Very low24.1Very low122 Ų122151.1 Ų151.179%0.79283%0.834SS**  trans-104.6141.2157.924.7-8.8000112.3
325A23.7Very low24.2Very low102 Ų102153.8 Ų153.884%0.84384%0.835SS**  trans-79.6143.7179.600000112.3
326V26.3Very low24.3Very low147 Ų147154.7 Ų154.789%0.89183%0.833SS**  trans-140.9128.6163.3-174.50000110.3
327E25.8Very low24.4Very low186 Ų186155.4 Ų155.487%0.86983%0.833SS**  trans-69.9155.4-169.5-72.6166.312800116.1
328N23Very low24.5Very low163 Ų163155.6 Ų155.687%0.87282%0.822SS**  trans-64.3122.9174.3-69.5-49.8000112.8
329L25Very low24.7Very low159 Ų159154.3 Ų154.383%0.83281%0.813SS**  trans-116.4103.3162.2-87.1159.9000109.7
330Q22.2Very low25Very low181 Ų181153.1 Ų153.185%0.84681%0.805SS**  trans-75.4132.6167-71.7179.1-15.900109.4
331H26.7Very low25.2Very low183 Ų183148.6 Ų148.685%0.84779%0.788SS**  trans-141.7124.8161-95.4-55.9000111.6
332E24.5Very low25.3Very low180 Ų180151 Ų15184%0.84179%0.788SS**  trans-64.8155.8179.7-72-174135.400114T334E332-T334 PolarHBondContact O-N 3.13Å
333P24.8Very low25.5Very low128 Ų128147.3 Ų147.383%0.83177%0.774SS**  trans-89.8100.7-179.234.2-28.9000111.5K335P333-K335 PolarHBondContact O-N 3.34Å
334T26.8Very low25.6Very low143 Ų143146.6 Ų146.688%0.87778%0.778SS**  trans-78.3121.3171.7-33.20000111E332E332-T334 PolarHBondContact O-N 3.13Å
335K24.2Very low25.9Very low181 Ų181149.9 Ų149.979%0.78778%0.78SS**  trans-61.9142.8173-78.6172.9174.4170.30111.8P333P333-K335 PolarHBondContact O-N 3.34Å
336R24Very low26.1Very low240 Ų240150 Ų15091%0.90677%0.765SS**  trans74.4108.6157.9-62.1169.1173.8-175.1-2.7117.4
337S25.1Very low26.2Very low95 Ų95148 Ų14866%0.66475%0.749SS**  -172.5157.2110.9670000110.6E341S337-E341 VanDerWaalsContact CB-OE2 3.27Å; S337-E341 WeakPolarHBondContact CB-OE2 3.45Å; S337-E341 PolarHBondContact OG-OE2 2.9Å
338S26.3Very low26.3Very low83 Ų83144 Ų14458%0.5874%0.738SS**  trans-68.2147.7-165.643.70000115S340 E341S338-S340 PolarHBondContact O-N 3.03Å; S338-E341 PolarHBondContact O-N 2.92Å
339V26.6Very low26.6Very low118 Ų118139.7 Ų139.772%0.71572%0.721SS**G310 helixtrans-51.3-19.8178.2176.20000114.4Y342V339-Y342 PolarHBondContact O-N 2.86Å
340S27.3Very low26.7Very low88 Ų88139.3 Ų139.362%0.61572%0.719SS**G310 helixtrans-69.3-27.2175.8-68.10000114.7S338 Y342S338-S340 PolarHBondContact O-N 3.03Å; S340-Y342 VanDerWaalsContact C-N 3.26Å; S340-Y342 PolarHBondContact O-N 3.14Å
341E28.4Very low26.9Very low119 Ų119137.5 Ų137.556%0.55671%0.714SS**G310 helixtrans-76.2-13.3178.7-80-177.4145.800113.5S337 S338S337-E341 VanDerWaalsContact CB-OE2 3.27Å; S337-E341 WeakPolarHBondContact CB-OE2 3.45Å; S337-E341 PolarHBondContact OG-OE2 2.9Å; S338-E341 PolarHBondContact O-N 2.92Å
342Y27.2Very low26.8Very low192 Ų192134.1 Ų134.175%0.75371%0.707SS**G310 helixtrans-90.9-16-178.6-125.9-89.3000113.4V339 S340V339-Y342 PolarHBondContact O-N 2.86Å; S340-Y342 VanDerWaalsContact C-N 3.26Å; S340-Y342 PolarHBondContact O-N 3.14Å
343L28Very low26.8Very low114 Ų114130.7 Ų130.760%0.59770%0.703SS**THydrogen-bonded Turntrans-92.9-22.4-178.3-68.2172.5000113K345 I346L343-K345 PolarHBondContact O-N 3.29Å; L343-I346 HydrophobicContact CD2-CD1 4.17Å; L343-I346 PolarHBondContact O-N 2.82Å
344D28Very low26.8Very low154 Ų154130.3 Ų130.382%0.82470%0.7SS**THydrogen-bonded Turntrans-74.4-7174.4-82.6-13.6000114
345K29.5Very low26.7Very low191 Ų191131.7 Ų131.783%0.8370%0.701SS**THydrogen-bonded Turntrans-101.30.6176.6-73.4-176.3178.7176.70114.1L343 D347L343-K345 PolarHBondContact O-N 3.29Å; K345-D347 PolarHBondContact O-N 3.41Å
346I28.5Very low26.7Very low104 Ų104130 Ų13053%0.53370%0.696SS.*SBendtrans-91.1104.5175.2-58.5-179.8000107.8L343 T348L343-I346 HydrophobicContact CD2-CD1 4.17Å; L343-I346 PolarHBondContact O-N 2.82Å; I346-T348 PolarHBondContact O-N 3.43Å
347D27.7Very low26.8Very low105 Ų105124.9 Ų124.956%0.56169%0.694SS**  trans-54.4100.6178.9-161.6-16.4000111K345 S349 L350K345-D347 PolarHBondContact O-N 3.41Å; D347-S349 PolarHBondContact O-N 2.81Å; D347-S349 VanDerWaalsContact O-N 3.08Å; D347-S349 VanDerWaalsContact OD1-CB 3.31Å; D347-S349 WeakPolarHBondContact OD1-CB 3.4Å; D347-S349 PolarHBondContact OD1-N 3.48Å; D347-S349 PolarHBondContact OD1-OG 3.45Å; D347-S349 PolarHBondContact OD2-OG 2.91Å; D347-L350 PolarHBondContact O-N 3.23Å
348T29Very low26.7Very low103 Ų103130.3 Ų130.363%0.63270%0.7SS**G310 helixtrans-65.3-6.8-179.241.80000113.4I346 L350 L351I346-T348 PolarHBondContact O-N 3.43Å; T348-L350 PolarHBondContact O-N 3.37Å; T348-L351 PolarHBondContact O-N 3.09Å
349S28.4Very low26.6Very low72 Ų72132.1 Ų132.150%0.50371%0.712SS.*G310 helixtrans-68.4-16.1175.167.20000114D347 T352D347-S349 PolarHBondContact O-N 2.81Å; D347-S349 VanDerWaalsContact O-N 3.08Å; D347-S349 VanDerWaalsContact OD1-CB 3.31Å; D347-S349 WeakPolarHBondContact OD1-CB 3.4Å; D347-S349 PolarHBondContact OD1-N 3.48Å; D347-S349 PolarHBondContact OD1-OG 3.45Å; D347-S349 PolarHBondContact OD2-OG 2.91Å; S349-T352 PolarHBondContact O-OG1 2.77Å
350L27.9Very low26.4Very low152 Ų152133.5 Ų133.580%0.79672%0.721SS**G310 helixtrans-86.2-5.5175.5-70.4167.9000113.8D347 T348D347-L350 PolarHBondContact O-N 3.23Å; T348-L350 PolarHBondContact O-N 3.37Å
351L25.9Very low26.3Very low143 Ų143132.8 Ų132.875%0.74973%0.727SS**G310 helixtrans-101.96.3-175.1-73.1166.3000114.2T348T348-L351 PolarHBondContact O-N 3.09Å
352T24.8Very low26Very low112 Ų112133.2 Ų133.269%0.68774%0.738SS**  trans-119.914.8-169.147.80000116.6S349 P354S349-T352 PolarHBondContact O-OG1 2.77Å; T352-P354 WeakPolarHBondContact O-CD 3.42Å
353S25Very low25.7Very low108 Ų108130 Ų13076%0.75574%0.743SS**  trans-93.1118.4172.8-92.50000113L355S353-L355 PolarHBondContact O-N 3.14Å
354P23.4Very low25.5Very low120 Ų120132.7 Ų132.778%0.77975%0.749SS**  trans-81.3106.617732.2-28.6000109.1T352 E356T352-P354 WeakPolarHBondContact O-CD 3.42Å; P354-E356 PolarHBondContact O-N 3.39Å
355L24.8Very low25.3Very low172 Ų172134.7 Ų134.790%0.90175%0.745SS**  trans-90.4105.1172.7-76.3166.9000109.8S353S353-L355 PolarHBondContact O-N 3.14Å
356E25.5Very low25Very low144 Ų144134.8 Ų134.867%0.67375%0.746SS**  trans-54.3153.1174.9-72.6-164.8153.900113.9P354 R358P354-E356 PolarHBondContact O-N 3.39Å; E356-R358 PolarHBondContact O-N 3.46Å; E356-R358 IonicContact OE2-NE 3.79Å
357P24.6Very low24.8Very low133 Ų133133.3 Ų133.386%0.86476%0.756SS**  trans-79.3105.4176.232.9-29.5000109.5
358R23.9Very low24.5Very low210 Ų210140 Ų14079%0.79277%0.774SS**  trans-125.7125171.2-77.3-171175.2-160.2-2.9113.2E356E356-R358 PolarHBondContact O-N 3.46Å; E356-R358 IonicContact OE2-NE 3.79Å
359S24.7Very low24.4Very low120 Ų120142.5 Ų142.584%0.83978%0.783SS**  trans85.391.516270.20000118.5G361S359-G361 PolarHBondContact O-N 2.85Å
360V22.4Very low24.2Very low148 Ų148145 Ų14590%0.89780%0.8SS**  trans-63.1110.1155.4178.90000108.1
361G23.8Very low24Very low73 Ų73143 Ų14375%0.75380%0.796SS**PPolyproline II helixtrans-91.7124.4175.300000111.6S359S359-G361 PolarHBondContact O-N 2.85Å
362T22.5Very low23.8Very low127 Ų127141.2 Ų141.278%0.77980%0.796SS**PPolyproline II helixtrans-70.3137.8-174.434.30000113.8K364T362-K364 PolarHBondContact O-N 2.85Å
363C21.4Very low23.7Very low126 Ų126146 Ų14685%0.85181%0.808SS**PPolyproline II helixtrans-73.2116.5171.2-174.40000110.1
364K24.1Very low23.7Very low170 Ų170150 Ų15074%0.73982%0.815SS**PPolyproline II helixtrans-98.7116.1166.2-82.6-175.6175-1800109T362 F366T362-K364 PolarHBondContact O-N 2.85Å; K364-F366 HydrophobicContact CB-CE2 4.42Å
365R23.2Very low23.6Very low196 Ų196148.7 Ų148.774%0.7481%0.809SS**PPolyproline II helixtrans-69123.4167.2-89177.5166169.1-5.5109.3Y31Y31-R365 PolarHBondContact OH-NE 3.04Å; Y31-R365 PolarHBondContact OH-NH2 3.44Å
366F24.2Very low23.6Very low193 Ų193148 Ų14885%0.84681%0.806SS**PPolyproline II helixtrans-95.2130.3163.1-74.9-85.1000109.1K364K364-F366 HydrophobicContact CB-CE2 4.42Å
367G23.1Very low23.5Very low72 Ų72149.7 Ų149.774%0.74281%0.811SS**PPolyproline II helixtrans-75.1163-175.100000113.5D369G367-D369 PolarHBondContact O-N 3.49Å
368R22.9Very low23.5Very low246 Ų246153.8 Ų153.893%0.92881%0.809SS**SBendtrans-55102.5172.2-71.2175.1177.3-178.1-2.1109.5
369D25.3Very low23.5Very low156 Ų156153.3 Ų153.383%0.83481%0.809SS**  trans-176.9108.9145.8-83.9-27.1000106.9G367G367-D369 PolarHBondContact O-N 3.49Å
370S24.4Very low23.5Very low123 Ų123157.7 Ų157.786%0.8681%0.809SS**  trans-62.5144.2176-54.90000110.2
371P23.5Very low23.5Very low110 Ų110157.5 Ų157.571%0.71480%0.798SS**  -146.7150.7101.634.8-17.7000114.4
372S23.4Very low23.6Very low107 Ų107162.9 Ų162.975%0.74880%0.803SS**  trans50.3111.5147.8600000119.6Q374S372-Q374 PolarHBondContact O-N 3.31Å
373F21.7Very low23.7Very low211 Ų211166.5 Ų166.593%0.92580%0.802SS**  trans-1.3107.5142.7-105.8-98.4000116.1
374Q24Very low23.8Very low193 Ų193169 Ų16990%0.90280%0.804SS**  trans-139.5115.9144.7-95.1-175.1-1.500109S372S372-Q374 PolarHBondContact O-N 3.31Å
375S23Very low24.1Very low93 Ų93174.2 Ų174.265%0.6583%0.827SS**  trans-71.8122.4177.945.50000111.6
376D24Very low24.1Very low158 Ų158173.2 Ų173.285%0.84583%0.831SS**  trans-122.279.8160.3-88.9-23.4000109.3R378D376-R378 PolarHBondContact O-N 2.88Å
377F23.9Very low24.1Very low179 Ų179172.1 Ų172.179%0.78583%0.831SS**  trans-78.8107.9164.7-93.5-92.2000108.8Y379F377-Y379 PolarHBondContact O-N 3.24Å
378R23.7Very low24.2Very low219 Ų219177.7 Ų177.783%0.82684%0.836SS**  trans-87.6104163.9-70.6-171.7-176.7-168.81.3109.5D376D376-R378 PolarHBondContact O-N 2.88Å
379Y23.8Very low24.3Very low200 Ų200173.6 Ų173.678%0.78483%0.83SS**  trans-61.4127.9167.4-106.8-104.4000110.4F377F377-Y379 PolarHBondContact O-N 3.24Å
380Y24.7Very low24.2Very low212 Ų212174.8 Ų174.883%0.83183%0.83SS**  trans-109.7102.9152.7-85-82.2000108.4
381Q23.8Very low24.2Very low144 Ų144178.2 Ų178.267%0.67383%0.828SS**  trans-85.5112.5173.3-171.9-179.322.400107.2
382H26.2Very low24.2Very low185 Ų185183.1 Ų183.186%0.85684%0.836SS**  trans-111.3108.9161.4-100.8-80.3000109.1
383R24.2Very low24.3Very low203 Ų203188.9 Ų188.977%0.76684%0.843SS**  trans-61.7140.7174.2-75.4177.7168.7179.7-4.5109.9
384M22.5Very low24.5Very low178 Ų178187.1 Ų187.188%0.87784%0.836SS**  trans-55.2134.5165.6-57.6-179.2-150.700110.5
385F30.4Very low24.6Very low281 Ų281186.5 Ų186.5100%1.23283%0.83SS**  trans-145.50139.1-86-72.1000107.7

Retrieved 385 of 385 residues in 100.8 ms (Link to these results)