A0A077Z7S5_TRITR Loading...

Bax1-I domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z7S5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 226 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
1M43Very low35.7Very low254 Ų254136.3 Ų136.3100%1.25184%0.842SS**  098.80-66.6171.6175.900106.2
2G35.5Very low35.9Very low81 Ų81135 Ų13584%0.83584%0.842SS**  cis109.495.621.600000109.6
3G33.7Very low36Very low67 Ų67138.2 Ų138.269%0.69184%0.841SS**  trans70161.9162.800000116.9
4H35.8Very low36.2Very low153 Ų153137.1 Ų137.171%0.70884%0.838SS**  cis-171.8126.86.3-129.7-114.7000109.6
5Y36.1Very low36.5Very low181 Ų181134.9 Ų134.971%0.7184%0.839SS**  trans70.4151.2132.6-67.2-118.5000124.9
6M39.7Very low36.4Very low184 Ų184130.2 Ų130.291%0.90683%0.825SS**  trans88.8129.5161.9-51.7-64.7-175.400115.5
7G34.5Very low36.5Very low82 Ų82132.1 Ų132.185%0.84583%0.828SS**  cis164.2150.47.600000107.2
8G33.4Very low36.9Very low79 Ų79133 Ų13381%0.81483%0.826SS**  trans163.37717500000114.7G10G8-G10 PolarHBondContact O-N 2.77Å
9Y29.6Very low37.5Very low252 Ų252132.9 Ų132.999%0.98883%0.827SS**  trans-69.1101.8162.4-96.9-97.2000108.5
10G35Very low38Very low69 Ų69135.4 Ų135.471%0.71183%0.829SS**  trans-110.1131.1173.500000110.5G8G8-G10 PolarHBondContact O-N 2.77Å
11A36.7Very low38.3Very low97 Ų97133.3 Ų133.380%0.80281%0.813SS**  trans-44.1127.6-176.500000115Q13A11-Q13 PolarHBondContact O-N 2.86Å; A11-Q13 VanDerWaalsContact O-N 3.15Å
12S37.9Very low38.3Very low121 Ų121127 Ų12785%0.84679%0.79SS**  trans-64.3106.8165.644.10000110.1
13Q37.1Very low38.8Very low176 Ų176132 Ų13282%0.82279%0.789SS**PPolyproline II helixtrans-62.5147.9166-71.9169.6-47.900109.9A11 A15A11-Q13 PolarHBondContact O-N 2.86Å; A11-Q13 VanDerWaalsContact O-N 3.15Å; Q13-A15 PolarHBondContact O-N 3.42Å
14P39.4Very low39.4Very low124 Ų124136 Ų13681%0.80578%0.784SS**PPolyproline II helixtrans-63.61251748.41.7000108.3G16P14-G16 PolarHBondContact O-N 3.45Å; P14-G16 VanDerWaalsContact O-N 3.15Å
15A40Very low39.5Very low103 Ų103132.1 Ų132.185%0.85178%0.775SS**PPolyproline II helixtrans-52.5120.3174.300000108.8Q13Q13-A15 PolarHBondContact O-N 3.42Å
16G35.6Very low39.9Very low60 Ų60132.1 Ų132.162%0.61978%0.775SS**PPolyproline II helixtrans-62.8153-179.100000112P14 D18P14-G16 PolarHBondContact O-N 3.45Å; P14-G16 VanDerWaalsContact O-N 3.15Å; G16-D18 PolarHBondContact O-N 3.47Å
17D38.1Very low40Very low162 Ų162125.8 Ų125.887%0.86676%0.757SS**  trans-52104169.5-64.2-57.1000110.7P19D17-P19 WeakPolarHBondContact O-CD 3.37Å
18D43Very low40.6Very low149 Ų149128 Ų12880%0.79774%0.743SS**  trans-75.4108.5165.8-78.7-36.6000108.8G16 E20G16-D18 PolarHBondContact O-N 3.47Å; D18-E20 PolarHBondContact O-N 3.39Å; D18-E20 VanDerWaalsContact O-N 3.09Å
19P49.1Very low41.2Very low131 Ų131128.1 Ų128.185%0.85173%0.732SS**THydrogen-bonded Turntrans-776.1-173.6-10.228.6000113.9D17D17-P19 WeakPolarHBondContact O-CD 3.37Å
20E47.5Very low42.1Very low182 Ų182120.3 Ų120.385%0.8570%0.704SS**THydrogen-bonded Turntrans-11413.9-159.6-135.2177.2-17700114.9D18 P22D18-E20 PolarHBondContact O-N 3.39Å; D18-E20 VanDerWaalsContact O-N 3.09Å; E20-P22 VanDerWaalsContact C-CD 3.49Å; E20-P22 WeakPolarHBondContact O-CD 3.35Å
21N43.4Very low42.8Very low93 Ų93121.1 Ų121.150%0.49770%0.695SS.*  trans-109.383.4172.8-159.5-13000112.7K23 Y24N21-K23 PolarHBondContact O-N 3.48Å; N21-K23 WeakPolarHBondContact OD1-CB 3.5Å; N21-K23 PolarHBondContact OD1-N 3.1Å; N21-Y24 WeakPolarHBondContact ND2-CD2 3.35Å
22P43.8Very low43.6Very low120 Ų120119.6 Ų119.678%0.77968%0.679SS**G310 helixtrans-67.2-2-177.926.7-33.9000114E20E20-P22 VanDerWaalsContact C-CD 3.49Å; E20-P22 WeakPolarHBondContact O-CD 3.35Å
23K44.7Very low44.2Very low186 Ų186117.5 Ų117.581%0.80966%0.657SS**G310 helixtrans-81.9-12.9-175-122.3176.7-178.3-179.90114.5N21N21-K23 PolarHBondContact O-N 3.48Å; N21-K23 WeakPolarHBondContact OD1-CB 3.5Å; N21-K23 PolarHBondContact OD1-N 3.1Å
24Y47.4Very low44.8Very low151 Ų151116.7 Ų116.759%0.59265%0.647SS**G310 helixtrans-1148.5-172.6-70.7-78000115.2N21N21-Y24 WeakPolarHBondContact ND2-CD2 3.35Å
25S37.8Very low45.1Very low73 Ų73116.7 Ų116.751%0.5164%0.636SS.*SBendtrans-115.3-17.9-163.7-166.60000118.5
26Y45Very low45.6Very low180 Ų180113.3 Ų113.371%0.70661%0.611SS**SBendtrans-133.723.5-160.7-95.8-89.6000120
27G41.2Very low46.4Very low51 Ų51115.3 Ų115.353%0.52660%0.603SS.*SBendtrans-97.2-32.3-177.900000117.4I33G27-I33 WeakPolarHBondContact O-CD1 3.37Å
28F46.9Very low47.1Very low128 Ų128112.1 Ų112.156%0.56159%0.585SS**SBendtrans-127.1-4.2-172.6-107.9-90.3000114E30 I33F28-E30 VanDerWaalsContact C-N 3.26Å; F28-I33 HydrophobicContact CD1-CG2 4.48Å; F28-I33 HydrophobicContact CE1-CG2 4.39Å
29S46.8Very low47.5Very low82 Ų82113.5 Ų113.557%0.57358%0.579SS**  trans-70.4-24.4173163.10000112.3T31S29-T31 PolarHBondContact O-N 3.12Å
30E47.2Very low47.6Very low89 Ų89114.9 Ų114.942%0.41657%0.572SS.*  trans-57.2108.4175.7-84.8-73.2152.800111.2F28 S32 I33 R34F28-E30 VanDerWaalsContact C-N 3.26Å; E30-S32 PolarHBondContact O-N 3Å; E30-S32 PolarHBondContact OE2-OG 3.29Å; E30-I33 HydrophobicContact CB-CB 4.25Å; E30-I33 HydrophobicContact CB-CD1 3.86Å; E30-I33 HydrophobicContact CB-CG1 3.87Å; E30-I33 HydrophobicContact CG-CD1 4.42Å; E30-I33 PolarHBondContact O-N 3.02Å; E30-R34 PolarHBondContact O-N 3.26Å
31T49.7Very low47.8Very low85 Ų85107.7 Ų107.752%0.52154%0.54SS..Hα-helixtrans-50.8-32.1175.2-49.90000111.6S29 R34 Q35S29-T31 PolarHBondContact O-N 3.12Å; T31-R34 PolarHBondContact O-N 3.5Å; T31-Q35 HydrophobicContact CG2-CG 4.36Å; T31-Q35 WeakPolarHBondContact O-CB 3.48Å; T31-Q35 VanDerWaalsContact O-CG 3.25Å; T31-Q35 WeakPolarHBondContact O-CG 3.32Å; T31-Q35 PolarHBondContact O-N 3.06Å
32S54.6Low48.1Very low66 Ų66107.5 Ų107.546%0.46254%0.539SS..Hα-helixtrans-62.4-41.5176.262.30000113.3E30 G36E30-S32 PolarHBondContact O-N 3Å; E30-S32 PolarHBondContact OE2-OG 3.29Å; S32-G36 PolarHBondContact O-N 3.22Å
33I50.5Low48.5Very low76 Ų76106.8 Ų106.839%0.3953%0.527SS..Hα-helixtrans-70.7-41.4178.8-63.9178.6000110.2G27 F28 E30 G36 F37G27-I33 WeakPolarHBondContact O-CD1 3.37Å; F28-I33 HydrophobicContact CD1-CG2 4.48Å; F28-I33 HydrophobicContact CE1-CG2 4.39Å; E30-I33 HydrophobicContact CB-CB 4.25Å; E30-I33 HydrophobicContact CB-CD1 3.86Å; E30-I33 HydrophobicContact CB-CG1 3.87Å; E30-I33 HydrophobicContact CG-CD1 4.42Å; E30-I33 PolarHBondContact O-N 3.02Å; I33-G36 PolarHBondContact O-N 3.26Å; I33-F37 PolarHBondContact O-N 3.4Å
34R49.3Very low48.7Very low159 Ų159102.5 Ų102.560%0.651%0.509SS*.Hα-helixtrans-63.8-46.6176.1-66178.969.4-157.13111.7E30 T31 G36 F37 I38E30-R34 PolarHBondContact O-N 3.26Å; T31-R34 PolarHBondContact O-N 3.5Å; R34-G36 VanDerWaalsContact C-N 3.35Å; R34-F37 PolarHBondContact O-N 2.86Å; R34-I38 WeakPolarHBondContact O-CD1 3.42Å; R34-I38 VanDerWaalsContact O-CG1 3.27Å; R34-I38 WeakPolarHBondContact O-CG1 3.02Å; R34-I38 PolarHBondContact O-N 3.49Å
35Q46.4Very low48.9Very low125 Ų12595.9 Ų95.958%0.58448%0.484SS*.Hα-helixtrans-66.5-36.5177-72.6178.8-500112.1T31 I38 R39T31-Q35 HydrophobicContact CG2-CG 4.36Å; T31-Q35 WeakPolarHBondContact O-CB 3.48Å; T31-Q35 VanDerWaalsContact O-CG 3.25Å; T31-Q35 WeakPolarHBondContact O-CG 3.32Å; T31-Q35 PolarHBondContact O-N 3.06Å; Q35-I38 PolarHBondContact O-N 3.33Å; Q35-R39 WeakPolarHBondContact O-CB 3.32Å; Q35-R39 PolarHBondContact O-N 2.77Å
36G49.5Very low49.3Very low31 Ų3199.5 Ų99.532%0.3249%0.491SS..Hα-helixtrans-64.1-41.6175.400000112.9S32 I33 R34 K40S32-G36 PolarHBondContact O-N 3.22Å; I33-G36 PolarHBondContact O-N 3.26Å; R34-G36 VanDerWaalsContact C-N 3.35Å; G36-K40 WeakPolarHBondContact O-CB 3.37Å; G36-K40 WeakPolarHBondContact O-CG 3.42Å; G36-K40 PolarHBondContact O-N 3.02Å
37F51.7Low49.7Very low103 Ų10393.2 Ų93.245%0.45247%0.474SS..Hα-helixtrans-63.4-51.2173.9-178.3-99.9000111.2I33 R34 R39 K40 V41I33-F37 PolarHBondContact O-N 3.4Å; R34-F37 PolarHBondContact O-N 2.86Å; F37-R39 VanDerWaalsContact C-N 3.33Å; F37-R39 PolarHBondContact O-N 3.3Å; F37-K40 PolarHBondContact O-N 3.31Å; F37-V41 HydrophobicContact CD1-CG2 4.22Å; F37-V41 HydrophobicContact CE1-CG2 3.88Å; F37-V41 HydrophobicContact CE2-CG2 4.25Å; F37-V41 HydrophobicContact CZ-CG2 3.89Å; F37-V41 WeakPolarHBondContact O-CG2 3.34Å; F37-V41 PolarHBondContact O-N 2.96Å
38I54.1Low50.1Low95 Ų9596.2 Ų96.249%0.48748%0.482SS..Hα-helixtrans-57.8-46178.6-66.4165.6000110.7R34 Q35 K40 V41 L42R34-I38 WeakPolarHBondContact O-CD1 3.42Å; R34-I38 VanDerWaalsContact O-CG1 3.27Å; R34-I38 WeakPolarHBondContact O-CG1 3.02Å; R34-I38 PolarHBondContact O-N 3.49Å; Q35-I38 PolarHBondContact O-N 3.33Å; I38-K40 PolarHBondContact O-N 3.5Å; I38-V41 PolarHBondContact O-N 3.09Å; I38-L42 HydrophobicContact CG2-CD1 3.86Å; I38-L42 HydrophobicContact CG2-CG 4.37Å; I38-L42 VanDerWaalsContact O-CG 3.27Å; I38-L42 WeakPolarHBondContact O-CG 2.79Å; I38-L42 PolarHBondContact O-N 3.09Å
39R50.2Low50.4Low178 Ų17892.7 Ų92.767%0.67248%0.481SS*.Hα-helixtrans-63-41.7179.1-175.7177.6179.9-170.10.7112.3Q35 F37 L42 I43Q35-R39 WeakPolarHBondContact O-CB 3.32Å; Q35-R39 PolarHBondContact O-N 2.77Å; F37-R39 VanDerWaalsContact C-N 3.33Å; F37-R39 PolarHBondContact O-N 3.3Å; R39-L42 PolarHBondContact O-N 3.37Å; R39-I43 HydrophobicContact CG-CD1 3.7Å; R39-I43 HydrophobicContact CG-CG1 4.34Å; R39-I43 WeakPolarHBondContact O-CB 3.23Å; R39-I43 VanDerWaalsContact O-CG1 3.27Å; R39-I43 WeakPolarHBondContact O-CG1 3.45Å; R39-I43 PolarHBondContact O-N 3.43Å
40K51.5Low50.5Low160 Ų16090 Ų9070%0.69646%0.462SS*.Hα-helixtrans-65.3-43.1176.8-79-179.4-179-178.50111.5G36 F37 I38 L42 F44G36-K40 WeakPolarHBondContact O-CB 3.37Å; G36-K40 WeakPolarHBondContact O-CG 3.42Å; G36-K40 PolarHBondContact O-N 3.02Å; F37-K40 PolarHBondContact O-N 3.31Å; I38-K40 PolarHBondContact O-N 3.5Å; K40-L42 VanDerWaalsContact C-N 3.34Å; K40-F44 VanDerWaalsContact O-CB 3.24Å; K40-F44 WeakPolarHBondContact O-CB 3.26Å; K40-F44 PolarHBondContact O-N 2.77Å
41V51.3Low50.4Low30 Ų3089.8 Ų89.818%0.18246%0.459CS..Hα-helixtrans-59.5-46.9175173.90000110F37 I38 S45 V96 N97F37-V41 HydrophobicContact CD1-CG2 4.22Å; F37-V41 HydrophobicContact CE1-CG2 3.88Å; F37-V41 HydrophobicContact CE2-CG2 4.25Å; F37-V41 HydrophobicContact CZ-CG2 3.89Å; F37-V41 WeakPolarHBondContact O-CG2 3.34Å; F37-V41 PolarHBondContact O-N 2.96Å; I38-V41 PolarHBondContact O-N 3.09Å; V41-S45 VanDerWaalsContact O-CB 3.3Å; V41-S45 WeakPolarHBondContact O-CB 3.43Å; V41-S45 PolarHBondContact O-N 3.47Å; V41-V96 HydrophobicContact CG1-CG1 4.49Å; V41-N97 PolarHBondContact O-OD1 3.48Å
42L49.5Very low50.5Low90 Ų9091.3 Ų91.347%0.47146%0.464SS..Hα-helixtrans-63.9-48.9178.9-67.8171.7000112.9I38 R39 K40 F44 S45 F46I38-L42 HydrophobicContact CG2-CD1 3.86Å; I38-L42 HydrophobicContact CG2-CG 4.37Å; I38-L42 VanDerWaalsContact O-CG 3.27Å; I38-L42 WeakPolarHBondContact O-CG 2.79Å; I38-L42 PolarHBondContact O-N 3.09Å; R39-L42 PolarHBondContact O-N 3.37Å; K40-L42 VanDerWaalsContact C-N 3.34Å; L42-F44 VanDerWaalsContact C-N 3.32Å; L42-F44 PolarHBondContact O-N 3.39Å; L42-S45 WeakPolarHBondContact O-CB 3.45Å; L42-S45 PolarHBondContact O-N 2.86Å; L42-F46 HydrophobicContact CD2-CE2 4.27Å; L42-F46 WeakPolarHBondContact O-CD2 3.24Å; L42-F46 PolarHBondContact O-N 2.92Å
43I53Low50.2Low105 Ų10593.7 Ų93.754%0.53847%0.466SS..Hα-helixtrans-63.1-40.4-178.7-68.5170.2000111.3R39 S45R39-I43 HydrophobicContact CG-CD1 3.7Å; R39-I43 HydrophobicContact CG-CG1 4.34Å; R39-I43 WeakPolarHBondContact O-CB 3.23Å; R39-I43 VanDerWaalsContact O-CG1 3.27Å; R39-I43 WeakPolarHBondContact O-CG1 3.45Å; R39-I43 PolarHBondContact O-N 3.43Å; I43-S45 VanDerWaalsContact C-N 3.34Å
44F49.1Very low50.2Low96 Ų9690.7 Ų90.742%0.42145%0.451SS..Hα-helixtrans-74.1-29.6-179.1-151-88.7000112.3K40 L42 T50 N97K40-F44 VanDerWaalsContact O-CB 3.24Å; K40-F44 WeakPolarHBondContact O-CB 3.26Å; K40-F44 PolarHBondContact O-N 2.77Å; L42-F44 VanDerWaalsContact C-N 3.32Å; L42-F44 PolarHBondContact O-N 3.39Å; F44-T50 HydrophobicContact CD1-CG2 4.19Å; F44-T50 HydrophobicContact CE1-CG2 3.77Å; F44-N97 HydrophobicContact CD1-CB 3.98Å
45S51.2Low50.3Low12 Ų1290.9 Ų90.98%0.08445%0.452CS..Hα-helixtrans-58.3-66.3166.2-139.20000108.9V41 L42 I43 S47 N97 E101V41-S45 VanDerWaalsContact O-CB 3.3Å; V41-S45 WeakPolarHBondContact O-CB 3.43Å; V41-S45 PolarHBondContact O-N 3.47Å; L42-S45 WeakPolarHBondContact O-CB 3.45Å; L42-S45 PolarHBondContact O-N 2.86Å; I43-S45 VanDerWaalsContact C-N 3.34Å; S45-S47 PolarHBondContact O-N 3.26Å; S45-N97 PolarHBondContact N-OD1 3.27Å; S45-E101 WeakPolarHBondContact CA-OE1 3.32Å; S45-E101 WeakPolarHBondContact CB-OE1 3.1Å; S45-E101 PolarHBondContact OG-OE1 3.43Å
46F46.4Very low50.8Low149 Ų14991.4 Ų91.465%0.65445%0.454SS*.SBendtrans-66.63.3-169-68.5-72.9000118.1L42 T48L42-F46 HydrophobicContact CD2-CE2 4.27Å; L42-F46 WeakPolarHBondContact O-CD2 3.24Å; L42-F46 PolarHBondContact O-N 2.92Å; F46-T48 PolarHBondContact O-N 3.41Å
47S54Low51.1Low48 Ų4891.5 Ų91.534%0.33645%0.447SS..  trans-75.6109.1176.6157.30000111.5S45 G49 T50S45-S47 PolarHBondContact O-N 3.26Å; S47-G49 PolarHBondContact O-N 3.31Å; S47-G49 VanDerWaalsContact O-N 3.1Å; S47-T50 VanDerWaalsContact CB-OG1 3.32Å; S47-T50 WeakPolarHBondContact CB-OG1 3.16Å; S47-T50 WeakPolarHBondContact O-CB 3.1Å; S47-T50 PolarHBondContact O-N 2.91Å; S47-T50 PolarHBondContact O-OG1 3.47Å; S47-T50 PolarHBondContact OG-N 3.46Å; S47-T50 PolarHBondContact OG-OG1 3.29Å
48T49.5Very low51.5Low113 Ų11390.7 Ų90.769%0.69345%0.448SS*.Hα-helixtrans-54.8-29.2175.2-45.50000113.2F46 T50 K51F46-T48 PolarHBondContact O-N 3.41Å; T48-T50 VanDerWaalsContact C-N 3.34Å; T48-K51 PolarHBondContact O-N 3.22Å
49G52.2Low51.7Low54 Ų5493 Ų9356%0.55745%0.45SS*.Hα-helixtrans-68.4-31177.900000113.6S47 K51S47-G49 PolarHBondContact O-N 3.31Å; S47-G49 VanDerWaalsContact O-N 3.1Å; G49-K51 VanDerWaalsContact C-N 3.34Å
50T50Low52Low27 Ų2787 Ų8717%0.16643%0.431CS..Hα-helixtrans-69.1-36.6179.6-45.30000110.8F44 S47 T48 L52 F53 V54F44-T50 HydrophobicContact CD1-CG2 4.19Å; F44-T50 HydrophobicContact CE1-CG2 3.77Å; S47-T50 VanDerWaalsContact CB-OG1 3.32Å; S47-T50 WeakPolarHBondContact CB-OG1 3.16Å; S47-T50 WeakPolarHBondContact O-CB 3.1Å; S47-T50 PolarHBondContact O-N 2.91Å; S47-T50 PolarHBondContact O-OG1 3.47Å; S47-T50 PolarHBondContact OG-N 3.46Å; S47-T50 PolarHBondContact OG-OG1 3.29Å; T48-T50 VanDerWaalsContact C-N 3.34Å; T50-L52 PolarHBondContact O-N 3Å; T50-F53 PolarHBondContact O-N 3.05Å; T50-V54 HydrophobicContact CG2-CG2 4.27Å; T50-V54 WeakPolarHBondContact O-CB 3.3Å; T50-V54 WeakPolarHBondContact O-CG2 3.27Å; T50-V54 PolarHBondContact O-N 3.29Å
51K43.7Very low52.2Low83 Ų8381 Ų8136%0.36141%0.405SS..Hα-helixtrans-58.3-43.8-179.7-59.3-175.5-179.8-168.70113T48 G49 R55 E101T48-K51 PolarHBondContact O-N 3.22Å; G49-K51 VanDerWaalsContact C-N 3.34Å; K51-R55 PolarHBondContact O-N 2.96Å; K51-E101 HydrophobicContact CD-CB 4.38Å; K51-E101 WeakPolarHBondContact CE-OE2 3.34Å; K51-E101 HydrophobicContact CG-CB 4.08Å; K51-E101 IonicContact NZ-OE2 3.7Å
52L52.1Low52.7Low117 Ų11782 Ų8261%0.61341%0.406SS*.Hα-helixtrans-73.2-41.9-176.6-155.379.4000111.5T50 V54 R55 Q56T50-L52 PolarHBondContact O-N 3Å; L52-V54 VanDerWaalsContact C-N 3.34Å; L52-V54 PolarHBondContact O-N 3.41Å; L52-R55 PolarHBondContact O-N 2.62Å; L52-Q56 WeakPolarHBondContact O-CG 3.47Å; L52-Q56 PolarHBondContact O-N 2.92Å
53F49.9Very low53.2Low117 Ų11782.4 Ų82.451%0.51341%0.407SS..Hα-helixtrans-64.5-39.8179.6-174.8-98.3000112.1T50 Q56 N57 L60T50-F53 PolarHBondContact O-N 3.05Å; F53-Q56 PolarHBondContact O-N 3.13Å; F53-N57 WeakPolarHBondContact O-CB 3.06Å; F53-N57 PolarHBondContact O-N 3.44Å; F53-N57 PolarHBondContact O-ND2 3.03Å; F53-L60 HydrophobicContact CE1-CD1 3.88Å
54V50.4Low53.3Low13 Ų1377.8 Ų77.88%0.07938%0.384CS..Hα-helixtrans-67.4-44.8178.2156.50000111.9T50 L52 Q56 N57 H98T50-V54 HydrophobicContact CG2-CG2 4.27Å; T50-V54 WeakPolarHBondContact O-CB 3.3Å; T50-V54 WeakPolarHBondContact O-CG2 3.27Å; T50-V54 PolarHBondContact O-N 3.29Å; L52-V54 VanDerWaalsContact C-N 3.34Å; L52-V54 PolarHBondContact O-N 3.41Å; V54-Q56 PolarHBondContact O-N 3.12Å; V54-N57 CarbonylContact O-C 3.55Å; V54-N57 PolarHBondContact O-N 3.45Å; V54-H98 HydrophobicContact CG1-CB 4.44Å; V54-H98 WeakPolarHBondContact CG1-CE1 3.44Å; V54-H98 WeakPolarHBondContact CG1-ND1 3.46Å
55R51.3Low53.7Low163 Ų16374.1 Ų74.162%0.61537%0.369SS*.Hα-helixtrans-61.5-32.4178.9-158.2174-176.5-179.91.8112.6K51 L52 T102K51-R55 PolarHBondContact O-N 2.96Å; L52-R55 PolarHBondContact O-N 2.62Å; R55-T102 HydrophobicContact CB-CG2 3.61Å; R55-T102 HydrophobicContact CG-CG2 3.67Å
56Q56.1Low54.2Low136 Ų13675.2 Ų75.264%0.63638%0.379SS*.Hα-helixtrans-77.2-21.5177.2-71177.6-300113L52 F53 V54L52-Q56 WeakPolarHBondContact O-CG 3.47Å; L52-Q56 PolarHBondContact O-N 2.92Å; F53-Q56 PolarHBondContact O-N 3.13Å; V54-Q56 PolarHBondContact O-N 3.12Å
57N56.2Low54.8Low32 Ų3271.5 Ų71.517%0.17137%0.368CS..  trans-124.258.2-171.1-66-74000112.1F53 V54 W59 L60F53-N57 WeakPolarHBondContact O-CB 3.06Å; F53-N57 PolarHBondContact O-N 3.44Å; F53-N57 PolarHBondContact O-ND2 3.03Å; V54-N57 CarbonylContact O-C 3.55Å; V54-N57 PolarHBondContact O-N 3.45Å; N57-W59 PolarHBondContact O-N 3.2Å; N57-W59 VanDerWaalsContact O-N 3.12Å; N57-W59 PolarHBondContact OD1-NE1 3.15Å; N57-L60 HydrophobicContact CB-CD1 3.58Å; N57-L60 HydrophobicContact CB-CG 3.98Å; N57-L60 WeakPolarHBondContact O-CB 3.43Å; N57-L60 PolarHBondContact O-N 3.01Å
58L60.8Low55Low87 Ų8771.2 Ų71.246%0.45536%0.361SS..THydrogen-bonded Turntrans-57.2-25174.9-137.680.1000112.7L60 H61L58-L60 PolarHBondContact O-N 3.15Å; L58-H61 WeakPolarHBondContact O-CB 3.01Å; L58-H61 PolarHBondContact O-N 3.37Å
59W58.2Low55.6Low144 Ų14467.2 Ų67.255%0.54534%0.335SS..Hα-helixtrans-61.6-28.3175.468.1-94.2000112.8N57 H61 W62 M63N57-W59 PolarHBondContact O-N 3.2Å; N57-W59 VanDerWaalsContact O-N 3.12Å; N57-W59 PolarHBondContact OD1-NE1 3.15Å; W59-H61 VanDerWaalsContact C-N 3.29Å; W59-H61 PolarHBondContact O-N 2.98Å; W59-W62 PolarHBondContact O-N 3.46Å; W59-M63 HydrophobicContact CE3-CB 4.39Å; W59-M63 HydrophobicContact CE3-CG 3.6Å; W59-M63 HydrophobicContact CZ3-CG 3.89Å; W59-M63 WeakPolarHBondContact O-CG 3.32Å; W59-M63 PolarHBondContact O-N 3.25Å
60L56Low55.9Low50 Ų5067.5 Ų67.526%0.26233%0.332SS..Hα-helixtrans-63.7-35.6177.1-72.4169.7000111.8F53 N57 L58 M63 A64F53-L60 HydrophobicContact CE1-CD1 3.88Å; N57-L60 HydrophobicContact CB-CD1 3.58Å; N57-L60 HydrophobicContact CB-CG 3.98Å; N57-L60 WeakPolarHBondContact O-CB 3.43Å; N57-L60 PolarHBondContact O-N 3.01Å; L58-L60 PolarHBondContact O-N 3.15Å; L60-M63 PolarHBondContact O-N 3.34Å; L60-A64 WeakPolarHBondContact O-CB 3.48Å; L60-A64 PolarHBondContact O-N 3.28Å
61H55Low56.1Low35 Ų3567.5 Ų67.516%0.16233%0.332CS..Hα-helixtrans-60.5-48.7174.8178.571.6000111.2L58 W59 A64 L65L58-H61 WeakPolarHBondContact O-CB 3.01Å; L58-H61 PolarHBondContact O-N 3.37Å; W59-H61 VanDerWaalsContact C-N 3.29Å; W59-H61 PolarHBondContact O-N 2.98Å; H61-A64 PolarHBondContact O-N 2.82Å; H61-L65 PolarHBondContact O-N 2.94Å
62W62.3Low56.8Low50 Ų5065.8 Ų65.819%0.18932%0.323CS..Hα-helixtrans-70.6-34.6-179.8-67.2105.6000112.7W59 L65 A66 G152 Y155 F156W59-W62 PolarHBondContact O-N 3.46Å; W62-L65 HydrophobicContact CE3-CD2 3.55Å; W62-L65 HydrophobicContact CZ3-CD2 3.54Å; W62-L65 WeakPolarHBondContact O-CB 3.45Å; W62-L65 PolarHBondContact O-N 2.83Å; W62-A66 WeakPolarHBondContact O-CB 3.41Å; W62-A66 PolarHBondContact O-N 3.37Å; W62-G152 WeakPolarHBondContact CH2-O 3.49Å; W62-Y155 HydrophobicContact CZ2-CD1 4.34Å; W62-F156 AromaticContact CD1-CZ 3.65Å; W62-F156 HydrophobicContact CD2-CE2 4.32Å; W62-F156 HydrophobicContact CD2-CZ 4.39Å; W62-F156 AromaticContact CE2-CZ 3.96Å; W62-F156 HydrophobicContact CG-CE2 4.48Å; W62-F156 HydrophobicContact CG-CZ 4.2Å; W62-F156 HydrophobicContact CZ2-CE2 4.45Å; W62-F156 AromaticContact NE1-CZ 3.46Å
63M58.8Low57.3Low100 Ų10064 Ų6449%0.49331%0.314SS..Hα-helixtrans-63.8-43.3171.4-76.5-6695.100111.8W59 L60 L65 A66 V67W59-M63 HydrophobicContact CE3-CB 4.39Å; W59-M63 HydrophobicContact CE3-CG 3.6Å; W59-M63 HydrophobicContact CZ3-CG 3.89Å; W59-M63 WeakPolarHBondContact O-CG 3.32Å; W59-M63 PolarHBondContact O-N 3.25Å; L60-M63 PolarHBondContact O-N 3.34Å; M63-L65 VanDerWaalsContact C-N 3.31Å; M63-L65 PolarHBondContact O-N 2.87Å; M63-A66 HydrophobicContact CE-CB 4.34Å; M63-A66 PolarHBondContact O-N 2.91Å; M63-V67 WeakPolarHBondContact O-CB 3.25Å; M63-V67 VanDerWaalsContact O-CG2 3.25Å; M63-V67 WeakPolarHBondContact O-CG2 3.46Å; M63-V67 PolarHBondContact O-N 3.35Å
64A55.5Low57.5Low8 Ų859.8 Ų59.87%0.06630%0.3CS..Hα-helixtrans-64.4-37.4175.400000111.9L60 H61 F68 C91 L95L60-A64 WeakPolarHBondContact O-CB 3.48Å; L60-A64 PolarHBondContact O-N 3.28Å; H61-A64 PolarHBondContact O-N 2.82Å; A64-F68 VanDerWaalsContact O-CB 3.25Å; A64-F68 WeakPolarHBondContact O-CB 3.46Å; A64-F68 PolarHBondContact O-N 3.46Å; A64-C91 WeakPolarHBondContact CB-SG 3.35Å; A64-L95 HydrophobicContact CB-CD1 3.85Å; A64-L95 HydrophobicContact CB-CD2 3.44Å; A64-L95 VanDerWaalsContact CB-CD2 3.44Å; A64-L95 HydrophobicContact CB-CG 3.59Å
65L58.7Low57.6Low18 Ų1859.4 Ų59.49%0.09430%0.298CS..Hα-helixtrans-62.3-45.7171.4-177.470.1000112H61 W62 M63 F68 M69 F149 Y212H61-L65 PolarHBondContact O-N 2.94Å; W62-L65 HydrophobicContact CE3-CD2 3.55Å; W62-L65 HydrophobicContact CZ3-CD2 3.54Å; W62-L65 WeakPolarHBondContact O-CB 3.45Å; W62-L65 PolarHBondContact O-N 2.83Å; M63-L65 VanDerWaalsContact C-N 3.31Å; M63-L65 PolarHBondContact O-N 2.87Å; L65-F68 PolarHBondContact O-N 3.34Å; L65-M69 WeakPolarHBondContact O-CB 2.98Å; L65-M69 PolarHBondContact O-N 3.42Å; L65-F149 HydrophobicContact CD2-CD2 4.1Å; L65-F149 HydrophobicContact CD2-CE2 3.89Å; L65-F149 HydrophobicContact CG-CD2 4.38Å; L65-F149 HydrophobicContact CG-CE2 4Å; L65-Y212 WeakPolarHBondContact CD1-OH 3.25Å
66A60.9Low57.9Low36 Ų3654.5 Ų54.530%0.29830%0.298SS..Hα-helixtrans-65.7-43.1179.600000111.7W62 M63 M69 A70W62-A66 WeakPolarHBondContact O-CB 3.41Å; W62-A66 PolarHBondContact O-N 3.37Å; M63-A66 HydrophobicContact CE-CB 4.34Å; M63-A66 PolarHBondContact O-N 2.91Å; A66-M69 PolarHBondContact O-N 3.42Å; A66-A70 VanDerWaalsContact O-CB 3.22Å; A66-A70 WeakPolarHBondContact O-CB 3.45Å; A66-A70 PolarHBondContact O-N 3.28Å
67V59Low58.1Low71 Ų7152.9 Ų52.943%0.4330%0.301SS..Hα-helixtrans-63.4-43.8174.5171.20000110.2M63 A70 T71M63-V67 WeakPolarHBondContact O-CB 3.25Å; M63-V67 VanDerWaalsContact O-CG2 3.25Å; M63-V67 WeakPolarHBondContact O-CG2 3.46Å; M63-V67 PolarHBondContact O-N 3.35Å; V67-A70 PolarHBondContact O-N 2.83Å; V67-T71 VanDerWaalsContact O-CB 3.26Å; V67-T71 WeakPolarHBondContact O-CB 3.39Å; V67-T71 PolarHBondContact O-N 3.46Å; V67-T71 PolarHBondContact O-OG1 3.38Å
68F57.7Low58.1Low42 Ų4254.2 Ų54.218%0.18431%0.312CS..Hα-helixtrans-60.7-47176177.3-99000111.5A64 L65 T71 Y72 V208A64-F68 VanDerWaalsContact O-CB 3.25Å; A64-F68 WeakPolarHBondContact O-CB 3.46Å; A64-F68 PolarHBondContact O-N 3.46Å; L65-F68 PolarHBondContact O-N 3.34Å; F68-T71 CarbonylContact O-C 3.42Å; F68-T71 WeakPolarHBondContact O-CB 3.36Å; F68-T71 PolarHBondContact O-N 3.16Å; F68-Y72 HydrophobicContact CZ-CD2 4.35Å; F68-Y72 WeakPolarHBondContact O-CB 3.39Å; F68-Y72 PolarHBondContact O-N 2.92Å; F68-V208 HydrophobicContact CD1-CG1 4.25Å; F68-V208 HydrophobicContact CD2-CG2 3.6Å; F68-V208 HydrophobicContact CE1-CB 4.2Å; F68-V208 HydrophobicContact CE1-CG1 3.61Å; F68-V208 HydrophobicContact CE1-CG2 4.12Å; F68-V208 HydrophobicContact CE2-CB 3.88Å; F68-V208 HydrophobicContact CE2-CG1 4.18Å; F68-V208 HydrophobicContact CE2-CG2 3.11Å; F68-V208 HydrophobicContact CG-CG2 4.27Å; F68-V208 HydrophobicContact CZ-CB 3.61Å; F68-V208 HydrophobicContact CZ-CG1 3.56Å; F68-V208 HydrophobicContact CZ-CG2 3.4Å; F68-V208 VanDerWaalsContact CZ-CG2 3.4Å
69M62Low57.8Low28 Ų2854.6 Ų54.614%0.13832%0.318CS..Hα-helixtrans-68.2-40.1-179.9-165.360-171.100112.1L65 A66 T71 Y72 I73 F149L65-M69 WeakPolarHBondContact O-CB 2.98Å; L65-M69 PolarHBondContact O-N 3.42Å; A66-M69 PolarHBondContact O-N 3.42Å; M69-T71 VanDerWaalsContact C-N 3.26Å; M69-T71 PolarHBondContact O-N 2.87Å; M69-Y72 HydrophobicContact CE-CD1 4.32Å; M69-Y72 PolarHBondContact O-N 3.46Å; M69-Y72 HydrophobicContact SD-CD1 4.33Å; M69-I73 HydrophobicContact CE-CD1 4.17Å; M69-I73 HydrophobicContact CE-CG1 4.12Å; M69-I73 HydrophobicContact CG-CD1 4.11Å; M69-I73 WeakPolarHBondContact O-CB 3.46Å; M69-I73 VanDerWaalsContact O-CG1 3.26Å; M69-I73 WeakPolarHBondContact O-CG1 3.38Å; M69-I73 PolarHBondContact O-N 3.16Å; M69-F149 HydrophobicContact CB-CE2 4.41Å
70A60.2Low57.6Low60 Ų6055 Ų5550%0.49633%0.331SS..Hα-helixtrans-60.8-39.4172.300000111.2A66 V67 A74A66-A70 VanDerWaalsContact O-CB 3.22Å; A66-A70 WeakPolarHBondContact O-CB 3.45Å; A66-A70 PolarHBondContact O-N 3.28Å; V67-A70 PolarHBondContact O-N 2.83Å; A70-A74 WeakPolarHBondContact O-CB 3.48Å; A70-A74 PolarHBondContact O-N 3.49Å
71T54.5Low57.4Low28 Ų2856 Ų5617%0.17234%0.339CS..Hα-helixtrans-68.8-40.8175.6-54.80000111.2V67 F68 M69 A74 I75 N88V67-T71 VanDerWaalsContact O-CB 3.26Å; V67-T71 WeakPolarHBondContact O-CB 3.39Å; V67-T71 PolarHBondContact O-N 3.46Å; V67-T71 PolarHBondContact O-OG1 3.38Å; F68-T71 CarbonylContact O-C 3.42Å; F68-T71 WeakPolarHBondContact O-CB 3.36Å; F68-T71 PolarHBondContact O-N 3.16Å; M69-T71 VanDerWaalsContact C-N 3.26Å; M69-T71 PolarHBondContact O-N 2.87Å; T71-A74 PolarHBondContact O-N 3.08Å; T71-I75 HydrophobicContact CG2-CD1 3.64Å; T71-I75 HydrophobicContact CG2-CG1 4.23Å; T71-I75 WeakPolarHBondContact O-CB 3.38Å; T71-I75 WeakPolarHBondContact O-CG1 3.47Å; T71-I75 PolarHBondContact O-N 3.45Å; T71-N88 WeakPolarHBondContact CG2-ND2 3.33Å
72Y57.3Low57.2Low46 Ų4657.6 Ų57.618%0.1834%0.343CS..Hα-helixtrans-61.5-48.4176.4-171.9-94.6000111.2F68 M69 I75 G76 Q205F68-Y72 HydrophobicContact CZ-CD2 4.35Å; F68-Y72 WeakPolarHBondContact O-CB 3.39Å; F68-Y72 PolarHBondContact O-N 2.92Å; M69-Y72 HydrophobicContact CE-CD1 4.32Å; M69-Y72 PolarHBondContact O-N 3.46Å; M69-Y72 HydrophobicContact SD-CD1 4.33Å; Y72-I75 PolarHBondContact O-N 3.3Å; Y72-G76 PolarHBondContact O-N 3.15Å; Y72-Q205 HydrophobicContact CE2-CG 4.43Å
73I62Low56.7Low79 Ų7963.9 Ų63.941%0.40537%0.367SS..Hα-helixtrans-63.2-45.1174.8-65.3166.9000110.3M69 I75 G76 C77M69-I73 HydrophobicContact CE-CD1 4.17Å; M69-I73 HydrophobicContact CE-CG1 4.12Å; M69-I73 HydrophobicContact CG-CD1 4.11Å; M69-I73 WeakPolarHBondContact O-CB 3.46Å; M69-I73 VanDerWaalsContact O-CG1 3.26Å; M69-I73 WeakPolarHBondContact O-CG1 3.38Å; M69-I73 PolarHBondContact O-N 3.16Å; I73-I75 VanDerWaalsContact C-N 3.33Å; I73-I75 PolarHBondContact O-N 3.19Å; I73-G76 PolarHBondContact O-N 3.43Å; I73-C77 VanDerWaalsContact O-CB 3.31Å; I73-C77 WeakPolarHBondContact O-CB 3.3Å; I73-C77 PolarHBondContact O-N 3.38Å; I73-C77 PolarHBondContact O-SG 2.78Å; I73-C77 VanDerWaalsContact O-SG 3.4Å
74A55.5Low56.4Low29 Ų2969.8 Ų69.824%0.2438%0.384CS..Hα-helixtrans-63.2-37.6179.500000112.3A70 T71 C78 V81A70-A74 WeakPolarHBondContact O-CB 3.48Å; A70-A74 PolarHBondContact O-N 3.49Å; T71-A74 PolarHBondContact O-N 3.08Å; A74-C78 CarbonylContact O-C 3.6Å; A74-C78 VanDerWaalsContact O-CA 3.3Å; A74-C78 WeakPolarHBondContact O-CA 3.27Å; A74-C78 WeakPolarHBondContact O-CB 3.34Å; A74-C78 PolarHBondContact O-N 3.39Å; A74-V81 HydrophobicContact CB-CG1 4.08Å
75I52.6Low56.1Low6 Ų675 Ų753%0.03140%0.403CS..Hα-helixtrans-75.7-34.5177.6-63.8170000111.5T71 Y72 I73 R82 F201T71-I75 HydrophobicContact CG2-CD1 3.64Å; T71-I75 HydrophobicContact CG2-CG1 4.23Å; T71-I75 WeakPolarHBondContact O-CB 3.38Å; T71-I75 WeakPolarHBondContact O-CG1 3.47Å; T71-I75 PolarHBondContact O-N 3.45Å; Y72-I75 PolarHBondContact O-N 3.3Å; I73-I75 VanDerWaalsContact C-N 3.33Å; I73-I75 PolarHBondContact O-N 3.19Å; I75-R82 HydrophobicContact CG2-CB 4.09Å; I75-R82 HydrophobicContact CG2-CG 3.75Å; I75-F201 HydrophobicContact CB-CD2 4.05Å; I75-F201 HydrophobicContact CB-CE2 3.73Å; I75-F201 HydrophobicContact CB-CZ 4.34Å; I75-F201 HydrophobicContact CD1-CD2 3.51Å; I75-F201 HydrophobicContact CD1-CE2 3.84Å; I75-F201 HydrophobicContact CG1-CD2 4.34Å; I75-F201 HydrophobicContact CG1-CE2 4.4Å; I75-F201 HydrophobicContact CG2-CD1 4.17Å; I75-F201 HydrophobicContact CG2-CD2 3.42Å; I75-F201 VanDerWaalsContact CG2-CD2 3.42Å; I75-F201 HydrophobicContact CG2-CE1 4.11Å; I75-F201 HydrophobicContact CG2-CE2 3.34Å; I75-F201 HydrophobicContact CG2-CG 3.82Å; I75-F201 HydrophobicContact CG2-CZ 3.71Å
76G57.3Low56Low60 Ų6077.5 Ų77.562%0.61942%0.42SS*.Hα-helixtrans-69-41.1175.300000113.2Y72 I73Y72-G76 PolarHBondContact O-N 3.15Å; I73-G76 PolarHBondContact O-N 3.43Å
77C60.1Low55.8Low102 Ų10277.7 Ų77.769%0.68943%0.425SS*.Hα-helixtrans-90.3-27.6-177.8-62.60000113.6I73I73-C77 VanDerWaalsContact O-CB 3.31Å; I73-C77 WeakPolarHBondContact O-CB 3.3Å; I73-C77 PolarHBondContact O-N 3.38Å; I73-C77 PolarHBondContact O-SG 2.78Å; I73-C77 VanDerWaalsContact O-SG 3.4Å
78C55.7Low55.7Low60 Ų6076.2 Ų76.241%0.40542%0.415SS..  trans-12699.3-176.2-55.70000110.4A74 N80 V81A74-C78 CarbonylContact O-C 3.6Å; A74-C78 VanDerWaalsContact O-CA 3.3Å; A74-C78 WeakPolarHBondContact O-CA 3.27Å; A74-C78 WeakPolarHBondContact O-CB 3.34Å; A74-C78 PolarHBondContact O-N 3.39Å; C78-N80 PolarHBondContact O-N 3.44Å; C78-V81 HydrophobicContact CB-CB 4.33Å; C78-V81 HydrophobicContact CB-CG2 3.91Å; C78-V81 PolarHBondContact O-N 3.28Å
79T54.9Low55.6Low94 Ų9476.4 Ų76.458%0.57742%0.419SS*.G310 helixtrans-52.7-27.5171.648.50000112.8R82T79-R82 VanDerWaalsContact O-CB 3.28Å; T79-R82 WeakPolarHBondContact O-CB 3.38Å
80N53.2Low55.5Low152 Ų15279.6 Ų79.681%0.81344%0.436SS*.G310 helixtrans-75.2-19179.8-68.3-50.7000115C78C78-N80 PolarHBondContact O-N 3.44Å
81V52.8Low55.2Low71 Ų7178.2 Ų78.243%0.4342%0.422SS..G310 helixtrans-90.6-11.4179.2179.20000112A74 C78 R83 R84A74-V81 HydrophobicContact CB-CG1 4.08Å; C78-V81 HydrophobicContact CB-CB 4.33Å; C78-V81 HydrophobicContact CB-CG2 3.91Å; C78-V81 PolarHBondContact O-N 3.28Å; V81-R83 PolarHBondContact O-N 2.91Å; V81-R84 PolarHBondContact O-N 3.45Å
82R49.6Very low55.3Low70 Ų7077.1 Ų77.126%0.26442%0.415SS..THydrogen-bonded Turntrans-57-16.8-179.5-162172.3-64.8-177.5-3.1114.7I75 T79 D198 F201I75-R82 HydrophobicContact CG2-CB 4.09Å; I75-R82 HydrophobicContact CG2-CG 3.75Å; T79-R82 VanDerWaalsContact O-CB 3.28Å; T79-R82 WeakPolarHBondContact O-CB 3.38Å; R82-D198 WeakPolarHBondContact CD-OD1 3.48Å; R82-D198 WeakPolarHBondContact CD-OD2 3.34Å; R82-D198 HydrophobicContact CG-CB 4.4Å; R82-D198 WeakPolarHBondContact CG-OD1 3.29Å; R82-D198 IonicContact CZ-OD2 3.77Å; R82-D198 IonicContact NE-OD2 2.63Å; R82-D198 IonicContact NH1-OD2 2.7Å; R82-D198 PolarHBondContact NH1-OD2 3.25Å; R82-F201 HydrophobicContact CG-CB 4.4Å
83R51.9Low55.2Low182 Ų18276.4 Ų76.469%0.68742%0.419SS*.THydrogen-bonded Turntrans-107.93.2-168.7-65.8179.1172.7179.5-4.5116.3V81 E197V81-R83 PolarHBondContact O-N 2.91Å; R83-E197 IonicContact NH2-OE2 2.8Å; R83-E197 PolarHBondContact NH2-OE2 2.94Å
84R52.8Low55.1Low223 Ų22378.5 Ų78.584%0.84243%0.425SS*.  trans-99.189.5177.8-80.5-163.2179.6179.91.9113.7V81V81-R84 PolarHBondContact O-N 3.45Å
85Y49.6Very low55.1Low119 Ų11978 Ų7847%0.46742%0.419SS..  trans-62.2153.8152.2-139.9-105.4000109.7V89 V200Y85-V89 HydrophobicContact CE1-CG2 4.5Å; Y85-V89 HydrophobicContact CE2-CG2 3.8Å; Y85-V200 HydrophobicContact CD2-CB 4.48Å; Y85-V200 HydrophobicContact CD2-CG1 3.57Å; Y85-V200 HydrophobicContact CD2-CG2 4.04Å; Y85-V200 HydrophobicContact CE2-CG1 3.72Å; Y85-V200 HydrophobicContact CE2-CG2 4.04Å
86P55.8Low55.4Low70 Ų7079.5 Ų79.546%0.45543%0.428SS..SBendcis-118.88.810.140.1-29.3000116N88 V89 I90P86-N88 VanDerWaalsContact C-N 3.29Å; P86-N88 PolarHBondContact O-N 3.21Å; P86-V89 PolarHBondContact O-N 2.89Å; P86-I90 HydrophobicContact CB-CD1 4.29Å; P86-I90 HydrophobicContact CG-CD1 4.1Å; P86-I90 PolarHBondContact O-N 2.72Å
87G58Low55.3Low39 Ų3977.3 Ų77.340%0.40240%0.402SS..Hα-helixtrans-56.6-39.7-168.500000114.2V89 I90 C91G87-V89 PolarHBondContact O-N 3.37Å; G87-I90 PolarHBondContact O-N 2.82Å; G87-C91 WeakPolarHBondContact O-CB 3.44Å; G87-C91 PolarHBondContact O-N 3.49Å
88N56.7Low54.9Low41 Ų4173.7 Ų73.722%0.21938%0.375CS..Hα-helixtrans-65.6-39.6-174.6-42.60.2000111.3T71 P86 C91 L92T71-N88 WeakPolarHBondContact CG2-ND2 3.33Å; P86-N88 VanDerWaalsContact C-N 3.29Å; P86-N88 PolarHBondContact O-N 3.21Å; N88-C91 PolarHBondContact O-N 3.06Å; N88-L92 VanDerWaalsContact O-CB 3.28Å; N88-L92 WeakPolarHBondContact O-CB 3.28Å; N88-L92 PolarHBondContact O-N 2.86Å
89V55.6Low54.8Low45 Ų4571.4 Ų71.427%0.27336%0.359SS..Hα-helixtrans-75-36.4-179.11780000111.2Y85 P86 G87 L92 A93Y85-V89 HydrophobicContact CE1-CG2 4.5Å; Y85-V89 HydrophobicContact CE2-CG2 3.8Å; P86-V89 PolarHBondContact O-N 2.89Å; G87-V89 PolarHBondContact O-N 3.37Å; V89-L92 PolarHBondContact O-N 3.08Å; V89-A93 VanDerWaalsContact O-CB 3.27Å; V89-A93 WeakPolarHBondContact O-CB 3.4Å; V89-A93 PolarHBondContact O-N 2.86Å
90I58.6Low54.8Low95 Ų9568.5 Ų68.549%0.48734%0.34SS..Hα-helixtrans-65.8-44173.5-64169.4000109.7P86 G87 A93 F94P86-I90 HydrophobicContact CB-CD1 4.29Å; P86-I90 HydrophobicContact CG-CD1 4.1Å; P86-I90 PolarHBondContact O-N 2.72Å; G87-I90 PolarHBondContact O-N 2.82Å; I90-A93 PolarHBondContact O-N 2.63Å; I90-F94 HydrophobicContact CG2-CD2 4.08Å; I90-F94 HydrophobicContact CG2-CE2 4.32Å; I90-F94 WeakPolarHBondContact O-CD2 3.43Å; I90-F94 PolarHBondContact O-N 2.99Å
91C55.4Low54.7Low31 Ų3162.9 Ų62.921%0.20931%0.309CS..Hα-helixtrans-64.2-41.1177-147.10000111.7A64 G87 N88 F94 L95A64-C91 WeakPolarHBondContact CB-SG 3.35Å; G87-C91 WeakPolarHBondContact O-CB 3.44Å; G87-C91 PolarHBondContact O-N 3.49Å; N88-C91 PolarHBondContact O-N 3.06Å; C91-F94 WeakPolarHBondContact O-CB 3.36Å; C91-F94 PolarHBondContact O-N 3.43Å; C91-L95 WeakPolarHBondContact O-CB 3.41Å; C91-L95 WeakPolarHBondContact O-CG 3.43Å; C91-L95 PolarHBondContact O-N 3.29Å
92L55.5Low54.6Low6 Ų660.7 Ų60.73%0.03130%0.296CS..Hα-helixtrans-64.9-42.8174.2-108.6152.1000112.9N88 V89 F94 L95 V96 L207 V208 V211N88-L92 VanDerWaalsContact O-CB 3.28Å; N88-L92 WeakPolarHBondContact O-CB 3.28Å; N88-L92 PolarHBondContact O-N 2.86Å; V89-L92 PolarHBondContact O-N 3.08Å; L92-F94 VanDerWaalsContact C-N 3.29Å; L92-F94 PolarHBondContact O-N 3.41Å; L92-L95 PolarHBondContact O-N 2.91Å; L92-L95 VanDerWaalsContact O-N 3.16Å; L92-V96 HydrophobicContact CD2-CG2 4.47Å; L92-V96 WeakPolarHBondContact O-CG2 3.33Å; L92-V96 PolarHBondContact O-N 3.37Å; L92-L207 HydrophobicContact CB-CD2 4.14Å; L92-L207 HydrophobicContact CD1-CB 4.33Å; L92-L207 HydrophobicContact CD1-CD2 3.74Å; L92-L207 HydrophobicContact CD1-CG 4.16Å; L92-L207 HydrophobicContact CD2-CB 4.37Å; L92-L207 HydrophobicContact CD2-CD2 3.56Å; L92-L207 HydrophobicContact CD2-CG 3.52Å; L92-L207 HydrophobicContact CG-CD2 3.98Å; L92-L207 HydrophobicContact CG-CG 4.36Å; L92-V208 HydrophobicContact CD1-CG2 3.85Å; L92-V208 HydrophobicContact CD2-CG2 4.16Å; L92-V208 HydrophobicContact CG-CG2 4.18Å; L92-V211 HydrophobicContact CD2-CG2 4.05Å
93A56.5Low54.8Low30 Ų3063.2 Ų63.225%0.24831%0.309CS..Hα-helixtrans-60.7-42.1173.300000110.6V89 I90 N97V89-A93 VanDerWaalsContact O-CB 3.27Å; V89-A93 WeakPolarHBondContact O-CB 3.4Å; V89-A93 PolarHBondContact O-N 2.86Å; I90-A93 PolarHBondContact O-N 2.63Å; A93-N97 WeakPolarHBondContact O-CB 3.27Å; A93-N97 PolarHBondContact O-N 2.85Å; A93-N97 PolarHBondContact O-ND2 3.05Å
94F58.2Low55.1Low124 Ų12457.2 Ų57.254%0.54429%0.287SS..Hα-helixtrans-61.5-42.8172.5-99.3-84.6000112.3I90 C91 L92 N97 H98I90-F94 HydrophobicContact CG2-CD2 4.08Å; I90-F94 HydrophobicContact CG2-CE2 4.32Å; I90-F94 WeakPolarHBondContact O-CD2 3.43Å; I90-F94 PolarHBondContact O-N 2.99Å; C91-F94 WeakPolarHBondContact O-CB 3.36Å; C91-F94 PolarHBondContact O-N 3.43Å; L92-F94 VanDerWaalsContact C-N 3.29Å; L92-F94 PolarHBondContact O-N 3.41Å; F94-N97 PolarHBondContact O-N 2.9Å; F94-H98 VanDerWaalsContact O-CB 3.26Å; F94-H98 WeakPolarHBondContact O-CB 3.2Å; F94-H98 PolarHBondContact O-N 3.48Å
95L55.7Low55.6Low19 Ų1951.8 Ų51.810%0.09927%0.274CS..Hα-helixtrans-65.6-45.8-179.9-79.8173.2000113.3A64 C91 L92 N97 H98 C99A64-L95 HydrophobicContact CB-CD1 3.85Å; A64-L95 HydrophobicContact CB-CD2 3.44Å; A64-L95 VanDerWaalsContact CB-CD2 3.44Å; A64-L95 HydrophobicContact CB-CG 3.59Å; C91-L95 WeakPolarHBondContact O-CB 3.41Å; C91-L95 WeakPolarHBondContact O-CG 3.43Å; C91-L95 PolarHBondContact O-N 3.29Å; L92-L95 PolarHBondContact O-N 2.91Å; L92-L95 VanDerWaalsContact O-N 3.16Å; L95-N97 VanDerWaalsContact C-N 3.31Å; L95-N97 PolarHBondContact O-N 3.32Å; L95-H98 WeakPolarHBondContact O-CB 3.35Å; L95-H98 PolarHBondContact O-N 2.93Å; L95-H98 VanDerWaalsContact O-N 3.16Å; L95-C99 PolarHBondContact O-N 3.46Å; L95-C99 VanDerWaalsContact O-N 3.15Å; L95-C99 PolarHBondContact O-SG 3.21Å; L95-C99 VanDerWaalsContact O-SG 3.38Å
96V58.6Low56.4Low36 Ų3651.4 Ų51.422%0.21828%0.284CS..Hα-helixtrans-61.2-44.2177.8174.40000110.1V41 L92 H98 C99 L100 V211V41-V96 HydrophobicContact CG1-CG1 4.49Å; L92-V96 HydrophobicContact CD2-CG2 4.47Å; L92-V96 WeakPolarHBondContact O-CG2 3.33Å; L92-V96 PolarHBondContact O-N 3.37Å; V96-H98 VanDerWaalsContact C-N 3.33Å; V96-H98 PolarHBondContact O-N 3.27Å; V96-C99 PolarHBondContact O-N 3.11Å; V96-L100 HydrophobicContact CG1-CD1 3.85Å; V96-L100 WeakPolarHBondContact O-CD1 3.27Å; V96-L100 WeakPolarHBondContact O-CG 3.3Å; V96-V211 HydrophobicContact CG2-CG2 3.58Å
97N55.8Low57Low15 Ų1553.8 Ų53.88%0.0829%0.29CS..Hα-helixtrans-65.9-33.4175.7-76.2-63.5000112.8V41 F44 S45 A93 F94 L95 C99V41-N97 PolarHBondContact O-OD1 3.48Å; F44-N97 HydrophobicContact CD1-CB 3.98Å; S45-N97 PolarHBondContact N-OD1 3.27Å; A93-N97 WeakPolarHBondContact O-CB 3.27Å; A93-N97 PolarHBondContact O-N 2.85Å; A93-N97 PolarHBondContact O-ND2 3.05Å; F94-N97 PolarHBondContact O-N 2.9Å; L95-N97 VanDerWaalsContact C-N 3.31Å; L95-N97 PolarHBondContact O-N 3.32Å; N97-C99 VanDerWaalsContact C-N 3.35Å
98H52.9Low57.5Low25 Ų2552 Ų5212%0.11627%0.271CS..Hα-helixtrans-68.3-32.7179.6-170.399.4000112.8V54 F94 L95 V96V54-H98 HydrophobicContact CG1-CB 4.44Å; V54-H98 WeakPolarHBondContact CG1-CE1 3.44Å; V54-H98 WeakPolarHBondContact CG1-ND1 3.46Å; F94-H98 VanDerWaalsContact O-CB 3.26Å; F94-H98 WeakPolarHBondContact O-CB 3.2Å; F94-H98 PolarHBondContact O-N 3.48Å; L95-H98 WeakPolarHBondContact O-CB 3.35Å; L95-H98 PolarHBondContact O-N 2.93Å; L95-H98 VanDerWaalsContact O-N 3.16Å; V96-H98 VanDerWaalsContact C-N 3.33Å; V96-H98 PolarHBondContact O-N 3.27Å
99C53.6Low58.1Low13 Ų1351.1 Ų51.19%0.08827%0.267CS..Hα-helixtrans-85.3-28.3-172.7-75.90000114.7L95 V96 N97 E101 M215L95-C99 PolarHBondContact O-N 3.46Å; L95-C99 VanDerWaalsContact O-N 3.15Å; L95-C99 PolarHBondContact O-SG 3.21Å; L95-C99 VanDerWaalsContact O-SG 3.38Å; V96-C99 PolarHBondContact O-N 3.11Å; N97-C99 VanDerWaalsContact C-N 3.35Å; C99-E101 PolarHBondContact O-N 3.33Å; C99-M215 HydrophobicContact CB-CE 4.19Å; C99-M215 HydrophobicContact CB-CG 4.08Å; C99-M215 HydrophobicContact CB-SD 3.3Å; C99-M215 WeakPolarHBondContact CB-SD 3.47Å; C99-M215 WeakPolarHBondContact SG-CE 3.43Å; C99-M215 PolarHBondContact SG-SD 2.96Å
100L54.8Low58.7Low33 Ų3353.6 Ų53.617%0.17328%0.282CS..SBendtrans-74.9-19.2-166-78.8165.6000115V96 V109 F214V96-L100 HydrophobicContact CG1-CD1 3.85Å; V96-L100 WeakPolarHBondContact O-CD1 3.27Å; V96-L100 WeakPolarHBondContact O-CG 3.3Å; L100-V109 HydrophobicContact CD2-CG1 3.72Å; L100-F214 HydrophobicContact CD2-CD1 4.49Å; L100-F214 HydrophobicContact CD2-CE1 3.27Å; L100-F214 HydrophobicContact CD2-CZ 3.37Å; L100-F214 HydrophobicContact CG-CE1 4.12Å
101E49.5Very low59.1Low34 Ų3452.6 Ų52.616%0.15928%0.277CS..SBendtrans-134.3-7.2-154.7-58.7-148.6163.400118.4S45 K51 C99S45-E101 WeakPolarHBondContact CA-OE1 3.32Å; S45-E101 WeakPolarHBondContact CB-OE1 3.1Å; S45-E101 PolarHBondContact OG-OE1 3.43Å; K51-E101 HydrophobicContact CD-CB 4.38Å; K51-E101 WeakPolarHBondContact CE-OE2 3.34Å; K51-E101 HydrophobicContact CG-CB 4.08Å; K51-E101 IonicContact NZ-OE2 3.7Å; C99-E101 PolarHBondContact O-N 3.33Å
102T51.6Low59.8Low24 Ų2451.1 Ų51.115%0.14727%0.267CS..SBendtrans-100.3-16.3-167.7-38.10000114R55R55-T102 HydrophobicContact CB-CG2 3.61Å; R55-T102 HydrophobicContact CG-CG2 3.67Å
103F54.1Low60.5Low124 Ų12453 Ų5354%0.54428%0.283SS..SBendtrans-134.9-13.2-171.1-66.5-77.4000116.1
104Y57.7Low61.1Low56 Ų5656.6 Ų56.622%0.2230%0.298CS..SBendtrans-130138-169.9-60.4-65.9000112.9L218 Q219 G222Y104-L218 HydrophobicContact CD2-CB 3.84Å; Y104-L218 HydrophobicContact CD2-CD1 4.29Å; Y104-L218 HydrophobicContact CD2-CD2 4.22Å; Y104-L218 HydrophobicContact CD2-CG 4.37Å; Y104-L218 WeakPolarHBondContact CE1-O 3.3Å; Y104-L218 HydrophobicContact CE2-CB 3.9Å; Y104-L218 HydrophobicContact CG-CB 4.45Å; Y104-L218 HydrophobicContact CG-CD2 4.37Å; Y104-Q219 WeakPolarHBondContact OH-CG 3.22Å; Y104-G222 VanDerWaalsContact CD1-CA 3.43Å
105N64Low61.8Low108 Ų10854 Ų5458%0.57829%0.289SS*.  trans-56144.2175.6-75.7-41000111.1E107 S108 V109N105-E107 PolarHBondContact O-N 3.16Å; N105-E107 VanDerWaalsContact O-N 3.08Å; N105-S108 WeakPolarHBondContact O-CA 2.81Å; N105-S108 VanDerWaalsContact O-CB 3.28Å; N105-S108 WeakPolarHBondContact O-CB 3.4Å; N105-S108 PolarHBondContact O-N 3.12Å; N105-V109 PolarHBondContact O-N 2.79Å
106T66.1Low62.7Low111 Ų11153.4 Ų53.468%0.68129%0.286SS*.Hα-helixtrans-51.4-38.5-179.2-49.50000112.3V109 V110T106-V109 WeakPolarHBondContact O-CB 3.45Å; T106-V109 PolarHBondContact O-N 3.34Å; T106-V110 WeakPolarHBondContact O-CG2 3.38Å; T106-V110 PolarHBondContact O-N 2.95Å
107E67.6Low63.3Low121 Ų12157.9 Ų57.957%0.56530%0.303SS*.Hα-helixtrans-67.4-38.6177.1-62.1-175.6-172.500112.9N105 V109 V110 I111 R225N105-E107 PolarHBondContact O-N 3.16Å; N105-E107 VanDerWaalsContact O-N 3.08Å; E107-V109 VanDerWaalsContact C-N 3.26Å; E107-V109 PolarHBondContact O-N 3.28Å; E107-V110 PolarHBondContact O-N 3.37Å; E107-I111 VanDerWaalsContact O-CG1 3.29Å; E107-I111 WeakPolarHBondContact O-CG1 3.41Å; E107-I111 PolarHBondContact O-N 2.87Å; E107-R225 IonicContact OE2-CZ 3.39Å; E107-R225 IonicContact OE2-NH1 3.19Å; E107-R225 PolarHBondContact OE2-NH1 3.15Å; E107-R225 IonicContact OE2-NH2 2.86Å; E107-R225 PolarHBondContact OE2-NH2 3.18Å
108S69Low64.1Low1 Ų161.9 Ų61.91%0.00732%0.324CS..Hα-helixtrans-61.4-38.4173.4-55.90000111.3N105 A112 R225N105-S108 WeakPolarHBondContact O-CA 2.81Å; N105-S108 VanDerWaalsContact O-CB 3.28Å; N105-S108 WeakPolarHBondContact O-CB 3.4Å; N105-S108 PolarHBondContact O-N 3.12Å; S108-A112 VanDerWaalsContact O-CB 3.24Å; S108-A112 WeakPolarHBondContact O-CB 3.47Å; S108-A112 PolarHBondContact O-N 3.4Å; S108-R225 WeakPolarHBondContact OG-CD 3.16Å
109V68.7Low65.1Low23 Ų2362.1 Ų62.114%0.13933%0.329CS..Hα-helixtrans-64.6-46.4178177.70000111.3L100 N105 T106 E107 A112 A113 F214 L218L100-V109 HydrophobicContact CD2-CG1 3.72Å; N105-V109 PolarHBondContact O-N 2.79Å; T106-V109 WeakPolarHBondContact O-CB 3.45Å; T106-V109 PolarHBondContact O-N 3.34Å; E107-V109 VanDerWaalsContact C-N 3.26Å; E107-V109 PolarHBondContact O-N 3.28Å; V109-A112 PolarHBondContact O-N 3.27Å; V109-A113 VanDerWaalsContact O-CB 3.3Å; V109-A113 WeakPolarHBondContact O-CB 3.26Å; V109-A113 PolarHBondContact O-N 2.82Å; V109-F214 HydrophobicContact CG1-CZ 4.07Å; V109-L218 HydrophobicContact CB-CD2 4.23Å; V109-L218 HydrophobicContact CG2-CD2 3.86Å
110V68.8Low65.9Low96 Ų9662.2 Ų62.258%0.58233%0.33SS*.Hα-helixtrans-64.6-43.6178.9174.90000111.3T106 E107 A113 L114T106-V110 WeakPolarHBondContact O-CG2 3.38Å; T106-V110 PolarHBondContact O-N 2.95Å; E107-V110 PolarHBondContact O-N 3.37Å; V110-A113 PolarHBondContact O-N 3.46Å; V110-L114 PolarHBondContact O-N 3.24Å
111I67.4Low66.6Low75 Ų7564.3 Ų64.339%0.38534%0.341SS..Hα-helixtrans-63.1-47.4177.2-67.9167.4000110.6E107 A113 L114 I115 V221E107-I111 VanDerWaalsContact O-CG1 3.29Å; E107-I111 WeakPolarHBondContact O-CG1 3.41Å; E107-I111 PolarHBondContact O-N 2.87Å; I111-A113 VanDerWaalsContact C-N 3.28Å; I111-A113 PolarHBondContact O-N 3.39Å; I111-L114 PolarHBondContact O-N 3.38Å; I111-I115 HydrophobicContact CG2-CD1 3.78Å; I111-I115 HydrophobicContact CG2-CG1 4.49Å; I111-I115 WeakPolarHBondContact O-CG1 3.28Å; I111-I115 PolarHBondContact O-N 3.36Å; I111-V221 HydrophobicContact CB-CG1 4.16Å; I111-V221 HydrophobicContact CG2-CG1 4.03Å; I111-V221 HydrophobicContact CG2-CG2 4.14Å
112A70.7Confident67.4Low0 Ų064.6 Ų64.60%035%0.353CS..Hα-helixtrans-61.1-37.8176.900000111.9S108 V109 I115 C116 F214 L217 L218 V221S108-A112 VanDerWaalsContact O-CB 3.24Å; S108-A112 WeakPolarHBondContact O-CB 3.47Å; S108-A112 PolarHBondContact O-N 3.4Å; V109-A112 PolarHBondContact O-N 3.27Å; A112-I115 PolarHBondContact O-N 2.82Å; A112-C116 WeakPolarHBondContact O-CB 3.29Å; A112-C116 PolarHBondContact O-N 3.2Å; A112-F214 HydrophobicContact CB-CD2 4.42Å; A112-F214 HydrophobicContact CB-CE2 4.01Å; A112-L217 HydrophobicContact CB-CB 3.95Å; A112-L218 HydrophobicContact CB-CD2 3.74Å; A112-L218 HydrophobicContact CB-CG 4.04Å; A112-V221 HydrophobicContact CB-CG2 4.27Å
113A69.2Low68.4Low44 Ų4464.7 Ų64.736%0.36435%0.354SS..Hα-helixtrans-66.1-42.8178.500000111.6V109 V110 I111 C116 F117 F214V109-A113 VanDerWaalsContact O-CB 3.3Å; V109-A113 WeakPolarHBondContact O-CB 3.26Å; V109-A113 PolarHBondContact O-N 2.82Å; V110-A113 PolarHBondContact O-N 3.46Å; I111-A113 VanDerWaalsContact C-N 3.28Å; I111-A113 PolarHBondContact O-N 3.39Å; A113-C116 WeakPolarHBondContact O-CB 3.33Å; A113-C116 PolarHBondContact O-N 2.84Å; A113-F117 WeakPolarHBondContact O-CB 3.46Å; A113-F117 PolarHBondContact O-N 3.22Å; A113-F214 HydrophobicContact CB-CD2 4.44Å; A113-F214 HydrophobicContact CB-CE2 3.78Å
114L70.3Confident69.2Low107 Ų10760.3 Ų60.356%0.5634%0.338SS*.Hα-helixtrans-63.7-47.5176.4-18063.6000111.6V110 I111 C116 F117 L118V110-L114 PolarHBondContact O-N 3.24Å; I111-L114 PolarHBondContact O-N 3.38Å; L114-C116 VanDerWaalsContact C-N 3.27Å; L114-C116 PolarHBondContact O-N 2.76Å; L114-F117 PolarHBondContact O-N 3.17Å; L114-L118 HydrophobicContact CD1-CD1 4.47Å; L114-L118 HydrophobicContact CG-CD1 4.37Å; L114-L118 WeakPolarHBondContact O-CG 3.48Å; L114-L118 PolarHBondContact O-N 2.85Å
115I71.4Confident69.8Low70 Ų7061.2 Ų61.236%0.35935%0.347SS..Hα-helixtrans-62.6-39.6177-62.6167.1000110.1I111 A112 L118 A119 L217 V221I111-I115 HydrophobicContact CG2-CD1 3.78Å; I111-I115 HydrophobicContact CG2-CG1 4.49Å; I111-I115 WeakPolarHBondContact O-CG1 3.28Å; I111-I115 PolarHBondContact O-N 3.36Å; A112-I115 PolarHBondContact O-N 2.82Å; I115-L118 PolarHBondContact O-N 2.65Å; I115-A119 VanDerWaalsContact O-CB 3.24Å; I115-A119 WeakPolarHBondContact O-CB 3.45Å; I115-A119 PolarHBondContact O-N 3.46Å; I115-L217 HydrophobicContact CB-CD1 4.02Å; I115-L217 HydrophobicContact CB-CD2 4.29Å; I115-L217 HydrophobicContact CG2-CD1 3.79Å; I115-L217 HydrophobicContact CG2-CD2 3.55Å; I115-L217 HydrophobicContact CG2-CG 4.32Å; I115-V221 HydrophobicContact CD1-CG2 4.33Å
116C75.3Confident70.2Confident6 Ų661.8 Ų61.84%0.04134%0.344CS..Hα-helixtrans-61.2-48177.5-170.90000111A112 A113 L114 L118 A119 C120 F214 L217A112-C116 WeakPolarHBondContact O-CB 3.29Å; A112-C116 PolarHBondContact O-N 3.2Å; A113-C116 WeakPolarHBondContact O-CB 3.33Å; A113-C116 PolarHBondContact O-N 2.84Å; L114-C116 VanDerWaalsContact C-N 3.27Å; L114-C116 PolarHBondContact O-N 2.76Å; C116-L118 PolarHBondContact O-N 3.14Å; C116-A119 PolarHBondContact O-N 3.18Å; C116-C120 WeakPolarHBondContact O-CB 3.27Å; C116-C120 PolarHBondContact O-N 3.48Å; C116-C120 PolarHBondContact O-SG 3.2Å; C116-F214 HydrophobicContact CB-CB 4.36Å; C116-F214 HydrophobicContact CB-CD2 4.07Å; C116-L217 HydrophobicContact CB-CD1 3.58Å
117F71.7Confident70.4Confident130 Ų13056.6 Ų56.657%0.5731%0.313SS*.Hα-helixtrans-57.7-48.4177.5174.3-101.2000111.6A113 L114 C120 L121A113-F117 WeakPolarHBondContact O-CB 3.46Å; A113-F117 PolarHBondContact O-N 3.22Å; L114-F117 PolarHBondContact O-N 3.17Å; F117-C120 PolarHBondContact O-N 2.89Å; F117-L121 HydrophobicContact CE1-CD2 4.37Å; F117-L121 VanDerWaalsContact O-CB 3.29Å; F117-L121 WeakPolarHBondContact O-CB 3.35Å; F117-L121 PolarHBondContact O-N 2.89Å
118L72.1Confident70.6Confident99 Ų9956.4 Ų56.452%0.51831%0.313SS..Hα-helixtrans-65.4-41.4179-67.6174.9000112.5L114 I115 C116 L121 G122L114-L118 HydrophobicContact CD1-CD1 4.47Å; L114-L118 HydrophobicContact CG-CD1 4.37Å; L114-L118 WeakPolarHBondContact O-CG 3.48Å; L114-L118 PolarHBondContact O-N 2.85Å; I115-L118 PolarHBondContact O-N 2.65Å; C116-L118 PolarHBondContact O-N 3.14Å; L118-L121 PolarHBondContact O-N 3.4Å; L118-G122 PolarHBondContact O-N 2.92Å
119A72.9Confident70.8Confident29 Ų2963.6 Ų63.624%0.2435%0.346CS..Hα-helixtrans-63.8-45.1176.500000111.3I115 C116 G122 V123I115-A119 VanDerWaalsContact O-CB 3.24Å; I115-A119 WeakPolarHBondContact O-CB 3.45Å; I115-A119 PolarHBondContact O-N 3.46Å; C116-A119 PolarHBondContact O-N 3.18Å; A119-G122 PolarHBondContact O-N 3.15Å; A119-V123 WeakPolarHBondContact O-CB 3.29Å; A119-V123 VanDerWaalsContact O-CG2 3.31Å; A119-V123 WeakPolarHBondContact O-CG2 3.24Å; A119-V123 PolarHBondContact O-N 3.46Å
120C70.6Confident71.2Confident15 Ų1563.2 Ų63.210%0.10135%0.345CS..Hα-helixtrans-63.4-44.4177.9-64.70000110.9C116 F117 S124 L179C116-C120 WeakPolarHBondContact O-CB 3.27Å; C116-C120 PolarHBondContact O-N 3.48Å; C116-C120 PolarHBondContact O-SG 3.2Å; F117-C120 PolarHBondContact O-N 2.89Å; C120-S124 VanDerWaalsContact O-CB 3.26Å; C120-S124 WeakPolarHBondContact O-CB 3.3Å; C120-S124 PolarHBondContact O-N 3.43Å; C120-S124 PolarHBondContact O-OG 3.4Å; C120-L179 HydrophobicContact CB-CD2 4.01Å
121L70.1Confident71.4Confident78 Ų7867.9 Ų67.941%0.40836%0.357SS..Hα-helixtrans-61.4-47.1177.1-176.663.7000111.4F117 L118 S124 L125F117-L121 HydrophobicContact CE1-CD2 4.37Å; F117-L121 VanDerWaalsContact O-CB 3.29Å; F117-L121 WeakPolarHBondContact O-CB 3.35Å; F117-L121 PolarHBondContact O-N 2.89Å; L118-L121 PolarHBondContact O-N 3.4Å; L121-S124 PolarHBondContact O-N 2.86Å; L121-L125 HydrophobicContact CD1-CD1 4.26Å; L121-L125 HydrophobicContact CD1-CG 4.33Å; L121-L125 HydrophobicContact CG-CD1 4.08Å; L121-L125 WeakPolarHBondContact O-CB 3.42Å; L121-L125 VanDerWaalsContact O-CG 3.28Å; L121-L125 WeakPolarHBondContact O-CG 3.34Å; L121-L125 PolarHBondContact O-N 3.25Å
122G66.7Low71.7Confident40 Ų4072.9 Ų72.941%0.41237%0.372SS..Hα-helixtrans-61.4-47.1178.700000112.9L118 A119 S124 L125 F126L118-G122 PolarHBondContact O-N 2.92Å; A119-G122 PolarHBondContact O-N 3.15Å; G122-S124 VanDerWaalsContact C-N 3.33Å; G122-S124 PolarHBondContact O-N 2.85Å; G122-L125 PolarHBondContact O-N 2.94Å; G122-F126 WeakPolarHBondContact O-CB 3.27Å; G122-F126 PolarHBondContact O-N 3.38Å
123V71.8Confident71.9Confident26 Ų2675.2 Ų75.216%0.15839%0.385CS..Hα-helixtrans-62.9-41.9175.7172.70000110.9A119 F126 A127 L179 A180A119-V123 WeakPolarHBondContact O-CB 3.29Å; A119-V123 VanDerWaalsContact O-CG2 3.31Å; A119-V123 WeakPolarHBondContact O-CG2 3.24Å; A119-V123 PolarHBondContact O-N 3.46Å; V123-F126 PolarHBondContact O-N 3.49Å; V123-A127 WeakPolarHBondContact O-CB 3.25Å; V123-A127 PolarHBondContact O-N 2.92Å; V123-L179 HydrophobicContact CB-CD2 3.93Å; V123-L179 HydrophobicContact CB-CG 4.46Å; V123-L179 HydrophobicContact CG1-CB 4.07Å; V123-L179 HydrophobicContact CG1-CD2 3.92Å; V123-L179 HydrophobicContact CG1-CG 3.91Å; V123-A180 HydrophobicContact CG1-CB 3.84Å
124S71.8Confident72Confident31 Ų3175.7 Ų75.722%0.21738%0.379CS..Hα-helixtrans-62.7-48.1179-58.50000111.4C120 L121 G122 F126 A127 M128C120-S124 VanDerWaalsContact O-CB 3.26Å; C120-S124 WeakPolarHBondContact O-CB 3.3Å; C120-S124 PolarHBondContact O-N 3.43Å; C120-S124 PolarHBondContact O-OG 3.4Å; L121-S124 PolarHBondContact O-N 2.86Å; G122-S124 VanDerWaalsContact C-N 3.33Å; G122-S124 PolarHBondContact O-N 2.85Å; S124-F126 VanDerWaalsContact C-N 3.35Å; S124-F126 PolarHBondContact O-N 3.29Å; S124-A127 PolarHBondContact O-N 3.04Å; S124-M128 WeakPolarHBondContact O-CB 3.36Å; S124-M128 WeakPolarHBondContact O-CG 3.26Å; S124-M128 PolarHBondContact O-N 3Å
125L68.8Low72Confident76 Ų7670.6 Ų70.640%0.39835%0.352SS..Hα-helixtrans-62.6-41.2177.4-70.7174.5000112L121 G122 M128 Q129L121-L125 HydrophobicContact CD1-CD1 4.26Å; L121-L125 HydrophobicContact CD1-CG 4.33Å; L121-L125 HydrophobicContact CG-CD1 4.08Å; L121-L125 WeakPolarHBondContact O-CB 3.42Å; L121-L125 VanDerWaalsContact O-CG 3.28Å; L121-L125 WeakPolarHBondContact O-CG 3.34Å; L121-L125 PolarHBondContact O-N 3.25Å; G122-L125 PolarHBondContact O-N 2.94Å; L125-M128 HydrophobicContact CD2-SD 4.37Å; L125-M128 PolarHBondContact O-N 3.39Å; L125-Q129 WeakPolarHBondContact O-CB 3.29Å; L125-Q129 VanDerWaalsContact O-CG 3.25Å; L125-Q129 WeakPolarHBondContact O-CG 3.5Å; L125-Q129 PolarHBondContact O-N 3.25Å; L125-Q129 VanDerWaalsContact O-N 3.08Å
126F72.9Confident71.8Confident120 Ų12069.4 Ų69.453%0.52636%0.357SS..Hα-helixtrans-63.7-45.7175.3177.4-99.6000111.7G122 V123 S124 M128 Q129 T130 F134G122-F126 WeakPolarHBondContact O-CB 3.27Å; G122-F126 PolarHBondContact O-N 3.38Å; V123-F126 PolarHBondContact O-N 3.49Å; S124-F126 VanDerWaalsContact C-N 3.35Å; S124-F126 PolarHBondContact O-N 3.29Å; F126-M128 VanDerWaalsContact C-N 3.3Å; F126-M128 PolarHBondContact O-N 2.88Å; F126-Q129 PolarHBondContact O-N 3.43Å; F126-T130 HydrophobicContact CE1-CG2 4.46Å; F126-T130 WeakPolarHBondContact O-CB 3.41Å; F126-T130 VanDerWaalsContact O-CG2 3.29Å; F126-T130 WeakPolarHBondContact O-CG2 3.41Å; F126-T130 PolarHBondContact O-N 2.98Å; F126-F134 AromaticContact CE1-CE2 4Å; F126-F134 HydrophobicContact CE1-CE2 4Å; F126-F134 HydrophobicContact CE1-CZ 4.22Å
127A71.4Confident71.5Confident2 Ų272 Ų722%0.01738%0.375CS..Hα-helixtrans-62.8-35.7178.400000112.5V123 S124 A180 V183 Q184V123-A127 WeakPolarHBondContact O-CB 3.25Å; V123-A127 PolarHBondContact O-N 2.92Å; S124-A127 PolarHBondContact O-N 3.04Å; A127-A180 HydrophobicContact CB-CB 4.3Å; A127-V183 HydrophobicContact CB-CB 4Å; A127-V183 HydrophobicContact CB-CG1 3.71Å; A127-Q184 HydrophobicContact CB-CG 4.16Å; A127-Q184 PolarHBondContact O-NE2 2.84Å
128M70.5Confident71.3Confident116 Ų11668.2 Ų68.257%0.57136%0.36SS*.Hα-helixtrans-66.6-41.8173.5-72.1170.378.800112.9S124 L125 F126 I187S124-M128 WeakPolarHBondContact O-CB 3.36Å; S124-M128 WeakPolarHBondContact O-CG 3.26Å; S124-M128 PolarHBondContact O-N 3Å; L125-M128 HydrophobicContact CD2-SD 4.37Å; L125-M128 PolarHBondContact O-N 3.39Å; F126-M128 VanDerWaalsContact C-N 3.3Å; F126-M128 PolarHBondContact O-N 2.88Å; M128-I187 HydrophobicContact CB-CD1 4.12Å; M128-I187 HydrophobicContact CG-CD1 3.22Å; M128-I187 HydrophobicContact CG-CG1 4.28Å
129Q74.4Confident70.6Confident152 Ų15266 Ų6671%0.7136%0.36SS*.Hα-helixtrans-88.5-24-171.8-67.5174.236.100113L125 F126L125-Q129 WeakPolarHBondContact O-CB 3.29Å; L125-Q129 VanDerWaalsContact O-CG 3.25Å; L125-Q129 WeakPolarHBondContact O-CG 3.5Å; L125-Q129 PolarHBondContact O-N 3.25Å; L125-Q129 VanDerWaalsContact O-N 3.08Å; F126-Q129 PolarHBondContact O-N 3.43Å
130T76Confident70.2Confident16 Ų1670.1 Ų70.110%0.09838%0.377CS..  trans-71.6134.8-173.7-169.20000112.5F126 Y132 F134 Q184 K190F126-T130 HydrophobicContact CE1-CG2 4.46Å; F126-T130 WeakPolarHBondContact O-CB 3.41Å; F126-T130 VanDerWaalsContact O-CG2 3.29Å; F126-T130 WeakPolarHBondContact O-CG2 3.41Å; F126-T130 PolarHBondContact O-N 2.98Å; T130-Y132 VanDerWaalsContact C-N 3.3Å; T130-Y132 PolarHBondContact OG1-N 3.38Å; T130-F134 HydrophobicContact CG2-CD2 4.47Å; T130-F134 HydrophobicContact CG2-CE2 4.03Å; T130-Q184 VanDerWaalsContact CG2-NE2 3.27Å; T130-K190 PolarHBondContact O-NZ 3.43Å; T130-K190 VanDerWaalsContact O-NZ 3.07Å
131K74.3Confident70Confident194 Ų19469.8 Ų69.884%0.84337%0.374SS*.  trans-73.8-25.7173.2-66.1-175.9-179.9-179.80111.7D133 K190K131-D133 PolarHBondContact O-N 3.47Å; K131-K190 PolarHBondContact O-NZ 3.41Å
132Y72.6Confident69.7Low179 Ų17968.7 Ų68.770%0.70237%0.372SS*.SBendtrans-64.2131.4179.6-66.3-76.2000111.3T130 Q184T130-Y132 VanDerWaalsContact C-N 3.3Å; T130-Y132 PolarHBondContact OG1-N 3.38Å; Y132-Q184 PolarHBondContact O-NE2 3.05Å
133D75.5Confident69.1Low49 Ų4971.1 Ų71.126%0.26238%0.379SS..  trans-95.399.2179.1-173.9-7.6000109.8K131 T135 K190 R191K131-D133 PolarHBondContact O-N 3.47Å; D133-T135 VanDerWaalsContact C-N 3.31Å; D133-T135 VanDerWaalsContact OD1-CB 3.3Å; D133-T135 WeakPolarHBondContact OD1-CB 3.31Å; D133-T135 PolarHBondContact OD1-N 2.9Å; D133-T135 PolarHBondContact OD1-OG1 2.93Å; D133-K190 HydrophobicContact CB-CD 4.1Å; D133-R191 WeakPolarHBondContact OD2-CB 3.5Å; D133-R191 WeakPolarHBondContact OD2-CG 3.35Å; D133-R191 PolarHBondContact OD2-N 3.07Å
134F71.4Confident68.8Low54 Ų5472.6 Ų72.624%0.23739%0.388CS..  trans-78.8-18.7176-63.6-70.3000112.1F126 T130 G136 C137 L177 I181F126-F134 AromaticContact CE1-CE2 4Å; F126-F134 HydrophobicContact CE1-CE2 4Å; F126-F134 HydrophobicContact CE1-CZ 4.22Å; T130-F134 HydrophobicContact CG2-CD2 4.47Å; T130-F134 HydrophobicContact CG2-CE2 4.03Å; F134-G136 PolarHBondContact O-N 3.34Å; F134-C137 PolarHBondContact O-N 3.24Å; F134-L177 HydrophobicContact CD1-CD1 3.85Å; F134-L177 HydrophobicContact CE1-CD1 4.24Å; F134-L177 HydrophobicContact CG-CD1 4.22Å; F134-I181 HydrophobicContact CB-CD1 4.44Å; F134-I181 HydrophobicContact CB-CG1 3.62Å
135T70.7Confident68.3Low0 Ų071.9 Ų71.90%039%0.386CS..G310 helixtrans-62.1-30-178.7750000111.9D133 C137 M138 Q184 L185 K190 L192D133-T135 VanDerWaalsContact C-N 3.31Å; D133-T135 VanDerWaalsContact OD1-CB 3.3Å; D133-T135 WeakPolarHBondContact OD1-CB 3.31Å; D133-T135 PolarHBondContact OD1-N 2.9Å; D133-T135 PolarHBondContact OD1-OG1 2.93Å; T135-C137 PolarHBondContact O-N 2.88Å; T135-C137 VanDerWaalsContact O-N 3.16Å; T135-M138 VanDerWaalsContact O-CB 3.26Å; T135-M138 WeakPolarHBondContact O-CB 3.29Å; T135-M138 PolarHBondContact O-N 2.87Å; T135-M138 VanDerWaalsContact O-N 3.1Å; T135-Q184 HydrophobicContact CG2-CB 3.6Å; T135-L185 HydrophobicContact CG2-CD2 3.99Å; T135-L185 HydrophobicContact CG2-CG 4.25Å; T135-K190 HydrophobicContact CG2-CB 4.05Å; T135-L192 WeakPolarHBondContact O-CD1 3.45Å; T135-L192 PolarHBondContact OG1-N 2.94Å
136G65.9Low67.9Low46 Ų4672 Ų7247%0.47439%0.386SS..G310 helixtrans-61.8-20.5174.600000115F134F134-G136 PolarHBondContact O-N 3.34Å
137C69.8Low67.2Low61 Ų6169.3 Ų69.341%0.41238%0.379SS..G310 helixtrans-93.65178.2-65.70000113.3F134 T135 G139 I140 M141F134-C137 PolarHBondContact O-N 3.24Å; T135-C137 PolarHBondContact O-N 2.88Å; T135-C137 VanDerWaalsContact O-N 3.16Å; C137-G139 PolarHBondContact O-N 3.45Å; C137-G139 VanDerWaalsContact O-N 3.13Å; C137-I140 WeakPolarHBondContact O-CB 3.5Å; C137-I140 PolarHBondContact O-N 3.34Å; C137-M141 PolarHBondContact O-N 2.91Å
138M66.6Low66.8Low50 Ų5070.7 Ų70.725%0.24639%0.387CS..Hα-helixtrans-51.9-39.4-176.7-179-176-64.900113.1T135 I140 M141 C142 I181 L185 L192T135-M138 VanDerWaalsContact O-CB 3.26Å; T135-M138 WeakPolarHBondContact O-CB 3.29Å; T135-M138 PolarHBondContact O-N 2.87Å; T135-M138 VanDerWaalsContact O-N 3.1Å; M138-I140 PolarHBondContact O-N 2.93Å; M138-M141 PolarHBondContact O-N 3.08Å; M138-C142 WeakPolarHBondContact O-CB 3.16Å; M138-C142 PolarHBondContact O-N 3.12Å; M138-I181 HydrophobicContact CE-CG2 4.37Å; M138-L185 HydrophobicContact CE-CD1 3.26Å; M138-L185 HydrophobicContact CE-CD2 3.37Å; M138-L185 HydrophobicContact CE-CG 3.82Å; M138-L192 HydrophobicContact CB-CD1 4.06Å; M138-L192 HydrophobicContact CE-CB 4.5Å; M138-L192 HydrophobicContact CE-CD1 3.74Å; M138-L192 HydrophobicContact SD-CD1 3.88Å
139G58.6Low66.4Low52 Ų5267.9 Ų67.954%0.53637%0.371SS..Hα-helixtrans-62.5-41.3177.600000113.3C137 C142 V143C137-G139 PolarHBondContact O-N 3.45Å; C137-G139 VanDerWaalsContact O-N 3.13Å; G139-C142 PolarHBondContact O-N 2.89Å; G139-V143 WeakPolarHBondContact O-CG2 3.31Å; G139-V143 PolarHBondContact O-N 3.32Å
140I64Low65.8Low115 Ų11565 Ų6559%0.5936%0.36SS*.Hα-helixtrans-65.3-44.1176.6-61.9170.7000109.5C137 M138 C142 V143 V144C137-I140 WeakPolarHBondContact O-CB 3.5Å; C137-I140 PolarHBondContact O-N 3.34Å; M138-I140 PolarHBondContact O-N 2.93Å; I140-C142 PolarHBondContact O-N 3.29Å; I140-V143 PolarHBondContact O-N 3.4Å; I140-V144 HydrophobicContact CG2-CG2 4.4Å; I140-V144 WeakPolarHBondContact O-CG2 3.4Å; I140-V144 PolarHBondContact O-N 3.29Å
141M66.4Low65Low9 Ų968.2 Ų68.24%0.04437%0.373CS..Hα-helixtrans-60.2-46.9178-65.5-64.2-71.800110.9C137 M138 V143 V144 G145 N174 L177 Y178 I181C137-M141 PolarHBondContact O-N 2.91Å; M138-M141 PolarHBondContact O-N 3.08Å; M141-V143 VanDerWaalsContact C-N 3.27Å; M141-V143 PolarHBondContact O-N 2.82Å; M141-V144 CarbonylContact O-C 3.56Å; M141-V144 WeakPolarHBondContact O-CA 3.26Å; M141-V144 PolarHBondContact O-N 3.4Å; M141-G145 PolarHBondContact O-N 2.85Å; M141-N174 WeakPolarHBondContact CE-OD1 3.5Å; M141-L177 HydrophobicContact CE-CB 3.82Å; M141-L177 HydrophobicContact CE-CD2 3.62Å; M141-L177 HydrophobicContact CE-CG 3.59Å; M141-L177 HydrophobicContact SD-CD2 3.42Å; M141-L177 WeakPolarHBondContact SD-CD2 3.47Å; M141-L177 HydrophobicContact SD-CG 3.99Å; M141-Y178 HydrophobicContact CB-CD1 4.49Å; M141-Y178 HydrophobicContact CB-CE1 3.72Å; M141-Y178 HydrophobicContact CE-CD1 4.06Å; M141-Y178 HydrophobicContact CE-CD2 3.82Å; M141-Y178 HydrophobicContact CE-CE1 4.06Å; M141-Y178 HydrophobicContact CE-CE2 3.86Å; M141-Y178 HydrophobicContact CE-CG 3.92Å; M141-Y178 PolarHBondContact O-OH 3.48Å; M141-I181 HydrophobicContact CB-CD1 4.45Å; M141-I181 HydrophobicContact CE-CD1 4.23Å; M141-I181 HydrophobicContact CG-CD1 3.59Å; M141-I181 HydrophobicContact SD-CD1 4.45Å
142C62.8Low64.4Low54 Ų5459.8 Ų59.837%0.36534%0.341SS..Hα-helixtrans-53.3-44.2176.1-174.50000112.3M138 G139 I140 G145 L146M138-C142 WeakPolarHBondContact O-CB 3.16Å; M138-C142 PolarHBondContact O-N 3.12Å; G139-C142 PolarHBondContact O-N 2.89Å; I140-C142 PolarHBondContact O-N 3.29Å; C142-G145 PolarHBondContact O-N 2.96Å; C142-L146 WeakPolarHBondContact O-CB 3.13Å; C142-L146 PolarHBondContact O-N 3.1Å
143V55.1Low63.9Low91 Ų9155.3 Ų55.355%0.55233%0.329SS*.Hα-helixtrans-63.9-46.5175.5176.20000111.3G139 I140 M141 G145 L146 V147G139-V143 WeakPolarHBondContact O-CG2 3.31Å; G139-V143 PolarHBondContact O-N 3.32Å; I140-V143 PolarHBondContact O-N 3.4Å; M141-V143 VanDerWaalsContact C-N 3.27Å; M141-V143 PolarHBondContact O-N 2.82Å; V143-G145 VanDerWaalsContact C-N 3.33Å; V143-G145 PolarHBondContact O-N 3.23Å; V143-L146 PolarHBondContact O-N 3.24Å; V143-V147 WeakPolarHBondContact O-CG2 3.09Å; V143-V147 PolarHBondContact O-N 3.46Å
144V64.6Low63.1Low58 Ų5857.1 Ų57.135%0.35234%0.337SS..Hα-helixtrans-61.5-42.1176.8177.40000111.1I140 M141 V147 L148 N174I140-V144 HydrophobicContact CG2-CG2 4.4Å; I140-V144 WeakPolarHBondContact O-CG2 3.4Å; I140-V144 PolarHBondContact O-N 3.29Å; M141-V144 CarbonylContact O-C 3.56Å; M141-V144 WeakPolarHBondContact O-CA 3.26Å; M141-V144 PolarHBondContact O-N 3.4Å; V144-V147 PolarHBondContact O-N 3.37Å; V144-L148 HydrophobicContact CG1-CD1 4.07Å; V144-L148 HydrophobicContact CG1-CG 4.39Å; V144-L148 WeakPolarHBondContact O-CB 3.3Å; V144-L148 VanDerWaalsContact O-CG 3.31Å; V144-L148 WeakPolarHBondContact O-CG 3.34Å; V144-L148 PolarHBondContact O-N 3.38Å; V144-N174 WeakPolarHBondContact CG1-ND2 3.46Å
145G62.9Low62.6Low16 Ų1659.8 Ų59.817%0.16535%0.346CS..Hα-helixtrans-61.7-43.2176.100000112.4M141 C142 V143 L148 F149 Y178M141-G145 PolarHBondContact O-N 2.85Å; C142-G145 PolarHBondContact O-N 2.96Å; V143-G145 VanDerWaalsContact C-N 3.33Å; V143-G145 PolarHBondContact O-N 3.23Å; G145-L148 PolarHBondContact O-N 2.89Å; G145-F149 VanDerWaalsContact O-CB 3.3Å; G145-F149 WeakPolarHBondContact O-CB 3.17Å; G145-F149 PolarHBondContact O-N 3.03Å; G145-Y178 WeakPolarHBondContact CA-OH 3.43Å; G145-Y178 PolarHBondContact N-OH 3.41Å
146L60.6Low61.9Low78 Ų7866.5 Ų66.541%0.40838%0.375SS..Hα-helixtrans-63.2-45.3174.9-173112.3000111.6C142 V143 F149 L150C142-L146 WeakPolarHBondContact O-CB 3.13Å; C142-L146 PolarHBondContact O-N 3.1Å; V143-L146 PolarHBondContact O-N 3.24Å; L146-F149 WeakPolarHBondContact O-CB 3.42Å; L146-F149 PolarHBondContact O-N 3.39Å; L146-L150 HydrophobicContact CD2-CD1 4.16Å; L146-L150 WeakPolarHBondContact O-CG 3.09Å; L146-L150 PolarHBondContact O-N 2.93Å
147V56.3Low61.8Low63 Ų6368 Ų6838%0.38237%0.373SS..Hα-helixtrans-60.3-49.5176.7170.80000110.4V143 V144 F149 L150 F151V143-V147 WeakPolarHBondContact O-CG2 3.09Å; V143-V147 PolarHBondContact O-N 3.46Å; V144-V147 PolarHBondContact O-N 3.37Å; V147-F149 VanDerWaalsContact C-N 3.28Å; V147-F149 PolarHBondContact O-N 2.83Å; V147-L150 PolarHBondContact O-N 3.5Å; V147-L150 VanDerWaalsContact O-N 3.16Å; V147-F151 HydrophobicContact CG1-CD2 3.61Å; V147-F151 HydrophobicContact CG1-CE2 3.59Å; V147-F151 VanDerWaalsContact O-CD2 3.26Å; V147-F151 WeakPolarHBondContact O-CD2 3.04Å; V147-F151 PolarHBondContact O-N 2.93Å
148L63.3Low61.4Low32 Ų3270.9 Ų70.917%0.16838%0.384CS..Hα-helixtrans-61.3-35.1176.7-71.6174.5000112.8V144 G145 F151 G152 D170 N174V144-L148 HydrophobicContact CG1-CD1 4.07Å; V144-L148 HydrophobicContact CG1-CG 4.39Å; V144-L148 WeakPolarHBondContact O-CB 3.3Å; V144-L148 VanDerWaalsContact O-CG 3.31Å; V144-L148 WeakPolarHBondContact O-CG 3.34Å; V144-L148 PolarHBondContact O-N 3.38Å; G145-L148 PolarHBondContact O-N 2.89Å; L148-F151 PolarHBondContact O-N 3.44Å; L148-G152 PolarHBondContact O-N 3.09Å; L148-D170 HydrophobicContact CD2-CB 3.87Å; L148-N174 HydrophobicContact CD1-CB 4.13Å; L148-N174 WeakPolarHBondContact CD1-ND2 3.12Å
149F62.8Low61.2Low56 Ų5678.9 Ų78.925%0.24641%0.411CS..Hα-helixtrans-64.4-45.5174.2175.8-101000111.5L65 M69 G145 L146 V147 G152 I153L65-F149 HydrophobicContact CD2-CD2 4.1Å; L65-F149 HydrophobicContact CD2-CE2 3.89Å; L65-F149 HydrophobicContact CG-CD2 4.38Å; L65-F149 HydrophobicContact CG-CE2 4Å; M69-F149 HydrophobicContact CB-CE2 4.41Å; G145-F149 VanDerWaalsContact O-CB 3.3Å; G145-F149 WeakPolarHBondContact O-CB 3.17Å; G145-F149 PolarHBondContact O-N 3.03Å; L146-F149 WeakPolarHBondContact O-CB 3.42Å; L146-F149 PolarHBondContact O-N 3.39Å; V147-F149 VanDerWaalsContact C-N 3.28Å; V147-F149 PolarHBondContact O-N 2.83Å; F149-G152 CarbonylContact O-C 3.55Å; F149-G152 WeakPolarHBondContact O-CA 3.32Å; F149-G152 PolarHBondContact O-N 2.92Å; F149-G152 VanDerWaalsContact O-N 3.12Å; F149-I153 HydrophobicContact CD1-CD1 3.94Å; F149-I153 HydrophobicContact CE1-CD1 3.51Å; F149-I153 HydrophobicContact CE1-CG1 4.41Å; F149-I153 HydrophobicContact CZ-CD1 3.94Å; F149-I153 HydrophobicContact CZ-CG1 4.46Å; F149-I153 WeakPolarHBondContact O-CG1 3.32Å; F149-I153 PolarHBondContact O-N 3.41Å
150L61.9Low61.2Low92 Ų9279.1 Ų79.148%0.48240%0.4SS..Hα-helixtrans-63.1-41.8175.3-66.4173.7000111.9L146 V147 G152 I153 M154L146-L150 HydrophobicContact CD2-CD1 4.16Å; L146-L150 WeakPolarHBondContact O-CG 3.09Å; L146-L150 PolarHBondContact O-N 2.93Å; V147-L150 PolarHBondContact O-N 3.5Å; V147-L150 VanDerWaalsContact O-N 3.16Å; L150-G152 VanDerWaalsContact C-N 3.31Å; L150-G152 PolarHBondContact O-N 2.95Å; L150-I153 HydrophobicContact CD2-CD1 4.3Å; L150-I153 PolarHBondContact O-N 3.45Å; L150-M154 PolarHBondContact O-N 3.2Å
151F60.1Low61.1Low83 Ų8382.2 Ų82.236%0.36440%0.404SS..Hα-helixtrans-63.1-36.7171.3-85.3-78.2000112.5V147 L148 I153 M154 I163V147-F151 HydrophobicContact CG1-CD2 3.61Å; V147-F151 HydrophobicContact CG1-CE2 3.59Å; V147-F151 VanDerWaalsContact O-CD2 3.26Å; V147-F151 WeakPolarHBondContact O-CD2 3.04Å; V147-F151 PolarHBondContact O-N 2.93Å; L148-F151 PolarHBondContact O-N 3.44Å; F151-I153 VanDerWaalsContact C-N 3.32Å; F151-I153 PolarHBondContact O-N 3.09Å; F151-M154 HydrophobicContact CB-CE 4.27Å; F151-M154 HydrophobicContact CD1-CE 3.16Å; F151-M154 HydrophobicContact CE1-CE 3.51Å; F151-M154 HydrophobicContact CG-CE 3.79Å; F151-M154 HydrophobicContact CZ-CE 4.38Å; F151-M154 WeakPolarHBondContact O-CB 3.09Å; F151-M154 PolarHBondContact O-N 3.42Å; F151-M154 VanDerWaalsContact O-N 3.12Å; F151-I163 HydrophobicContact CD1-CG2 4.1Å
152G60.3Low60.8Low18 Ų1892.3 Ų92.319%0.18644%0.442CS..Hα-helixtrans-64.7-32.2174.800000113.4W62 L148 F149 L150 M154 Y155W62-G152 WeakPolarHBondContact CH2-O 3.49Å; L148-G152 PolarHBondContact O-N 3.09Å; F149-G152 CarbonylContact O-C 3.55Å; F149-G152 WeakPolarHBondContact O-CA 3.32Å; F149-G152 PolarHBondContact O-N 2.92Å; F149-G152 VanDerWaalsContact O-N 3.12Å; L150-G152 VanDerWaalsContact C-N 3.31Å; L150-G152 PolarHBondContact O-N 2.95Å; G152-M154 VanDerWaalsContact C-N 3.26Å; G152-M154 PolarHBondContact O-N 3.48Å; G152-Y155 WeakPolarHBondContact O-CB 3.35Å; G152-Y155 PolarHBondContact O-N 3.01Å; G152-Y155 VanDerWaalsContact O-N 3.15Å
153I63Low60.5Low85 Ų8592.5 Ų92.544%0.43644%0.439SS..Hα-helixtrans-65.5-32.7172.7-68161.1000111F149 L150 F151 Y155F149-I153 HydrophobicContact CD1-CD1 3.94Å; F149-I153 HydrophobicContact CE1-CD1 3.51Å; F149-I153 HydrophobicContact CE1-CG1 4.41Å; F149-I153 HydrophobicContact CZ-CD1 3.94Å; F149-I153 HydrophobicContact CZ-CG1 4.46Å; F149-I153 WeakPolarHBondContact O-CG1 3.32Å; F149-I153 PolarHBondContact O-N 3.41Å; L150-I153 HydrophobicContact CD2-CD1 4.3Å; L150-I153 PolarHBondContact O-N 3.45Å; F151-I153 VanDerWaalsContact C-N 3.32Å; F151-I153 PolarHBondContact O-N 3.09Å; I153-Y155 PolarHBondContact O-N 3Å
154M57.5Low60.8Low87 Ų8790.7 Ų90.743%0.42942%0.422SS..G310 helixtrans-73-1.8175.6-59.8-170.2-71.800113.7L150 F151 G152 F156 D157L150-M154 PolarHBondContact O-N 3.2Å; F151-M154 HydrophobicContact CB-CE 4.27Å; F151-M154 HydrophobicContact CD1-CE 3.16Å; F151-M154 HydrophobicContact CE1-CE 3.51Å; F151-M154 HydrophobicContact CG-CE 3.79Å; F151-M154 HydrophobicContact CZ-CE 4.38Å; F151-M154 WeakPolarHBondContact O-CB 3.09Å; F151-M154 PolarHBondContact O-N 3.42Å; F151-M154 VanDerWaalsContact O-N 3.12Å; G152-M154 VanDerWaalsContact C-N 3.26Å; G152-M154 PolarHBondContact O-N 3.48Å; M154-F156 PolarHBondContact O-N 3.07Å; M154-F156 VanDerWaalsContact O-N 3.13Å; M154-D157 PolarHBondContact O-N 2.95Å
155Y60.8Low60.5Low109 Ų10991.3 Ų91.343%0.42743%0.429SS..G310 helixtrans-60.3-23.2-179.7-173-88.3000113.9W62 G152 I153 D157 R164W62-Y155 HydrophobicContact CZ2-CD1 4.34Å; G152-Y155 WeakPolarHBondContact O-CB 3.35Å; G152-Y155 PolarHBondContact O-N 3.01Å; G152-Y155 VanDerWaalsContact O-N 3.15Å; I153-Y155 PolarHBondContact O-N 3Å; Y155-D157 PolarHBondContact O-N 3.47Å; Y155-R164 HydrophobicContact CD2-CG 3.95Å; Y155-R164 HydrophobicContact CE2-CG 3.41Å; Y155-R164 VanDerWaalsContact CE2-CG 3.41Å; Y155-R164 PolarHBondContact O-NH2 3.44Å
156F56.9Low60.5Low141 Ų14193.6 Ų93.662%0.61844%0.442SS*.G310 helixtrans-70.6-12.5-178.4-74.5-80.1000114.6W62 M154 D158W62-F156 AromaticContact CD1-CZ 3.65Å; W62-F156 HydrophobicContact CD2-CE2 4.32Å; W62-F156 HydrophobicContact CD2-CZ 4.39Å; W62-F156 AromaticContact CE2-CZ 3.96Å; W62-F156 HydrophobicContact CG-CE2 4.48Å; W62-F156 HydrophobicContact CG-CZ 4.2Å; W62-F156 HydrophobicContact CZ2-CE2 4.45Å; W62-F156 AromaticContact NE1-CZ 3.46Å; M154-F156 PolarHBondContact O-N 3.07Å; M154-F156 VanDerWaalsContact O-N 3.13Å; F156-D158 PolarHBondContact O-N 3.32Å
157D63.1Low60.6Low78 Ų7891.2 Ų91.242%0.41743%0.432SS..  trans-90.2106.7175.2-164.9-10.2000111.1M154 Y155 R159 L160M154-D157 PolarHBondContact O-N 2.95Å; Y155-D157 PolarHBondContact O-N 3.47Å; D157-R159 PolarHBondContact O-N 2.88Å; D157-R159 VanDerWaalsContact O-N 3.09Å; D157-R159 WeakPolarHBondContact OD1-CB 3.47Å; D157-R159 PolarHBondContact OD1-N 3.04Å; D157-L160 HydrophobicContact CB-CD1 4.06Å; D157-L160 HydrophobicContact CB-CG 4.26Å; D157-L160 PolarHBondContact O-N 3.4Å; D157-L160 VanDerWaalsContact O-N 3.09Å
158D62.9Low60.8Low121 Ų12190.3 Ų90.365%0.64743%0.425SS*.G310 helixtrans-60.8-15.3174.9-83-35.2000113.7F156 L160 R164F156-D158 PolarHBondContact O-N 3.32Å; D158-L160 PolarHBondContact O-N 3.21Å; D158-R164 IonicContact OD1-CZ 3.56Å; D158-R164 IonicContact OD1-NH1 3.61Å; D158-R164 PolarHBondContact OD1-NH1 3.4Å; D158-R164 IonicContact OD1-NH2 2.77Å; D158-R164 PolarHBondContact OD1-NH2 3.3Å
159R61.4Low60.6Low218 Ų21893.9 Ų93.982%0.82344%0.443SS*.G310 helixtrans-71-16.9176.1-149.2178.1-70.6-123.62.6112.6D157D157-R159 PolarHBondContact O-N 2.88Å; D157-R159 VanDerWaalsContact O-N 3.09Å; D157-R159 WeakPolarHBondContact OD1-CB 3.47Å; D157-R159 PolarHBondContact OD1-N 3.04Å
160L59.4Low60.7Low58 Ų5895.5 Ų95.530%0.30446%0.455SS..G310 helixtrans-106.741.8-173.3-59.8175.1000113.3D157 D158 W162 I163 R164D157-L160 HydrophobicContact CB-CD1 4.06Å; D157-L160 HydrophobicContact CB-CG 4.26Å; D157-L160 PolarHBondContact O-N 3.4Å; D157-L160 VanDerWaalsContact O-N 3.09Å; D158-L160 PolarHBondContact O-N 3.21Å; L160-W162 PolarHBondContact O-N 2.96Å; L160-W162 VanDerWaalsContact O-N 3.15Å; L160-I163 HydrophobicContact CB-CB 4.14Å; L160-I163 HydrophobicContact CB-CD1 4.16Å; L160-I163 HydrophobicContact CB-CG1 4.29Å; L160-I163 HydrophobicContact CD1-CD1 4.1Å; L160-I163 HydrophobicContact CD2-CD1 3.85Å; L160-I163 HydrophobicContact CG-CD1 4.25Å; L160-I163 PolarHBondContact O-N 3Å; L160-R164 PolarHBondContact O-N 2.92Å
161R61.1Low60.8Low180 Ų18095.6 Ų95.668%0.67945%0.449SS*.Hα-helixtrans-54.9-34.1-179.2-166.4-179.5-64.5-143.30.5113.8R164 S165R161-R164 WeakPolarHBondContact O-CB 3.29Å; R161-R164 PolarHBondContact O-N 3.31Å; R161-S165 PolarHBondContact O-N 2.85Å
162W59.1Low61Low221 Ų22194.1 Ų94.184%0.83744%0.442SS*.Hα-helixtrans-66.8-43.2176.5-58.6107.4000112.2L160 R164 S165 S166L160-W162 PolarHBondContact O-N 2.96Å; L160-W162 VanDerWaalsContact O-N 3.15Å; W162-R164 VanDerWaalsContact C-N 3.27Å; W162-R164 PolarHBondContact O-N 3.35Å; W162-S165 PolarHBondContact O-N 3.42Å; W162-S166 PolarHBondContact O-N 3.5Å; W162-S166 VanDerWaalsContact O-N 3.11Å; W162-S166 PolarHBondContact O-OG 2.99Å
163I58Low61.3Low58 Ų58100.2 Ų100.230%0.29747%0.468SS..Hα-helixtrans-64-38.1175.8-59-174.6000109.8F151 L160 S165 S166 C167F151-I163 HydrophobicContact CD1-CG2 4.1Å; L160-I163 HydrophobicContact CB-CB 4.14Å; L160-I163 HydrophobicContact CB-CD1 4.16Å; L160-I163 HydrophobicContact CB-CG1 4.29Å; L160-I163 HydrophobicContact CD1-CD1 4.1Å; L160-I163 HydrophobicContact CD2-CD1 3.85Å; L160-I163 HydrophobicContact CG-CD1 4.25Å; L160-I163 PolarHBondContact O-N 3Å; I163-S165 PolarHBondContact O-N 3.3Å; I163-S166 PolarHBondContact O-N 3.04Å; I163-C167 VanDerWaalsContact O-CB 3.27Å; I163-C167 WeakPolarHBondContact O-CB 3.19Å; I163-C167 PolarHBondContact O-N 3.46Å; I163-C167 PolarHBondContact O-SG 3.2Å
164R60.3Low61.7Low53 Ų5397 Ų9720%0.245%0.451CS..Hα-helixtrans-54.9-48.9175.7-167.8176.7-67.4159.7-0.6112.3Y155 D158 L160 R161 W162 L168Y155-R164 HydrophobicContact CD2-CG 3.95Å; Y155-R164 HydrophobicContact CE2-CG 3.41Å; Y155-R164 VanDerWaalsContact CE2-CG 3.41Å; Y155-R164 PolarHBondContact O-NH2 3.44Å; D158-R164 IonicContact OD1-CZ 3.56Å; D158-R164 IonicContact OD1-NH1 3.61Å; D158-R164 PolarHBondContact OD1-NH1 3.4Å; D158-R164 IonicContact OD1-NH2 2.77Å; D158-R164 PolarHBondContact OD1-NH2 3.3Å; L160-R164 PolarHBondContact O-N 2.92Å; R161-R164 WeakPolarHBondContact O-CB 3.29Å; R161-R164 PolarHBondContact O-N 3.31Å; W162-R164 VanDerWaalsContact C-N 3.27Å; W162-R164 PolarHBondContact O-N 3.35Å; R164-L168 VanDerWaalsContact O-CG 3.32Å; R164-L168 WeakPolarHBondContact O-CG 3.36Å; R164-L168 PolarHBondContact O-N 3.25Å
165S59.8Low62.4Low71 Ų7193.6 Ų93.650%0.49744%0.435SS..Hα-helixtrans-71.5-40.9-179.3-620000112.9R161 W162 I163 L168 L169R161-S165 PolarHBondContact O-N 2.85Å; W162-S165 PolarHBondContact O-N 3.42Å; I163-S165 PolarHBondContact O-N 3.3Å; S165-L168 PolarHBondContact O-N 3.4Å; S165-L169 PolarHBondContact O-N 3.05Å
166S62.7Low63Low63 Ų6393 Ų9344%0.44144%0.436SS..Hα-helixtrans-66.8-43.5179-62.60000112.2W162 I163 L168 L169 D170W162-S166 PolarHBondContact O-N 3.5Å; W162-S166 VanDerWaalsContact O-N 3.11Å; W162-S166 PolarHBondContact O-OG 2.99Å; I163-S166 PolarHBondContact O-N 3.04Å; S166-L168 PolarHBondContact O-N 3.44Å; S166-L169 WeakPolarHBondContact O-CA 3.31Å; S166-L169 WeakPolarHBondContact O-CB 3.26Å; S166-L169 PolarHBondContact O-N 3.04Å; S166-D170 PolarHBondContact O-N 3.47Å; S166-D170 VanDerWaalsContact O-N 3.08Å
167C61.8Low63.9Low28 Ų2889.2 Ų89.219%0.18942%0.422CS..Hα-helixtrans-62.2-32.5176.4-71.90000112.7I163 L169 R171I163-C167 VanDerWaalsContact O-CB 3.27Å; I163-C167 WeakPolarHBondContact O-CB 3.19Å; I163-C167 PolarHBondContact O-N 3.46Å; I163-C167 PolarHBondContact O-SG 3.2Å; C167-L169 VanDerWaalsContact C-N 3.33Å; C167-R171 VanDerWaalsContact O-CB 3.29Å; C167-R171 WeakPolarHBondContact O-CB 3.46Å; C167-R171 PolarHBondContact O-N 3.21Å; C167-R171 VanDerWaalsContact O-N 3.12Å
168L60.9Low64.7Low45 Ų4587.2 Ų87.224%0.23641%0.408CS..Hα-helixtrans-65-39.5172.6-70.6175.9000111R164 S165 S166 K172R164-L168 VanDerWaalsContact O-CG 3.32Å; R164-L168 WeakPolarHBondContact O-CG 3.36Å; R164-L168 PolarHBondContact O-N 3.25Å; S165-L168 PolarHBondContact O-N 3.4Å; S166-L168 PolarHBondContact O-N 3.44Å; L168-K172 VanDerWaalsContact O-CD 3.3Å; L168-K172 WeakPolarHBondContact O-CD 3.47Å; L168-K172 WeakPolarHBondContact O-CE 3.41Å; L168-K172 WeakPolarHBondContact O-CG 3.34Å; L168-K172 PolarHBondContact O-N 3.03Å
169L59.6Low65.6Low106 Ų10681.6 Ų81.656%0.55538%0.378SS*.Hα-helixtrans-64.4-48.3178.3-71.3169.5000112.3S165 S166 C167 R171 K172S165-L169 PolarHBondContact O-N 3.05Å; S166-L169 WeakPolarHBondContact O-CA 3.31Å; S166-L169 WeakPolarHBondContact O-CB 3.26Å; S166-L169 PolarHBondContact O-N 3.04Å; C167-L169 VanDerWaalsContact C-N 3.33Å; L169-R171 VanDerWaalsContact C-N 3.31Å; L169-R171 PolarHBondContact O-N 2.74Å; L169-K172 HydrophobicContact CD2-CD 4.11Å; L169-K172 WeakPolarHBondContact O-CB 3.14Å; L169-K172 PolarHBondContact O-N 2.84Å
170D63.5Low66.5Low91 Ų9171.5 Ų71.549%0.48734%0.342SS..Hα-helixtrans-63.9-37.6-178.1-62.8-34000112L148 S166 K172 N174L148-D170 HydrophobicContact CD2-CB 3.87Å; S166-D170 PolarHBondContact O-N 3.47Å; S166-D170 VanDerWaalsContact O-N 3.08Å; D170-K172 VanDerWaalsContact C-N 3.31Å; D170-K172 PolarHBondContact O-N 2.89Å; D170-N174 WeakPolarHBondContact O-CB 3.37Å; D170-N174 PolarHBondContact O-N 3.46Å
171R64.5Low67.4Low94 Ų9468.9 Ų68.936%0.35533%0.328SS..Hα-helixtrans-64-34179-169.9175.6-179.1177.55.2113C167 L169 N175C167-R171 VanDerWaalsContact O-CB 3.29Å; C167-R171 WeakPolarHBondContact O-CB 3.46Å; C167-R171 PolarHBondContact O-N 3.21Å; C167-R171 VanDerWaalsContact O-N 3.12Å; L169-R171 VanDerWaalsContact C-N 3.31Å; L169-R171 PolarHBondContact O-N 2.74Å; R171-N175 WeakPolarHBondContact O-CB 3.32Å; R171-N175 PolarHBondContact O-N 2.96Å; R171-N175 VanDerWaalsContact O-N 3.1Å
172K64.9Low68.3Low51 Ų5160.6 Ų60.622%0.22230%0.297CS..Hα-helixtrans-63.2-50.3-178-63.1157.3-168.4-143.90112L168 L169 D170 N174 N175 Y216L168-K172 VanDerWaalsContact O-CD 3.3Å; L168-K172 WeakPolarHBondContact O-CD 3.47Å; L168-K172 WeakPolarHBondContact O-CE 3.41Å; L168-K172 WeakPolarHBondContact O-CG 3.34Å; L168-K172 PolarHBondContact O-N 3.03Å; L169-K172 HydrophobicContact CD2-CD 4.11Å; L169-K172 WeakPolarHBondContact O-CB 3.14Å; L169-K172 PolarHBondContact O-N 2.84Å; D170-K172 VanDerWaalsContact C-N 3.31Å; D170-K172 PolarHBondContact O-N 2.89Å; K172-N174 VanDerWaalsContact C-N 3.32Å; K172-N175 PolarHBondContact O-N 2.94Å; K172-Y216 HydrophobicContact CB-CD1 4.3Å; K172-Y216 HydrophobicContact CB-CE1 4Å; K172-Y216 HydrophobicContact CD-CD2 3.97Å; K172-Y216 HydrophobicContact CD-CE1 3.86Å; K172-Y216 HydrophobicContact CD-CE2 3.26Å; K172-Y216 WeakPolarHBondContact CD-OH 3.45Å; K172-Y216 WeakPolarHBondContact CE-OH 3.37Å; K172-Y216 HydrophobicContact CG-CD1 3.79Å; K172-Y216 HydrophobicContact CG-CD2 3.46Å; K172-Y216 VanDerWaalsContact CG-CD2 3.46Å; K172-Y216 HydrophobicContact CG-CE1 3.51Å; K172-Y216 HydrophobicContact CG-CE2 3.29Å; K172-Y216 HydrophobicContact CG-CG 3.74Å; K172-Y216 PolarHBondContact NZ-OH 2.69Å
173M66.5Low69.1Low147 Ų14750.6 Ų50.672%0.72426%0.261SS*.Hα-helixtrans-68.4-39.5-175.5-169.4166.969.400110N175 L177M173-N175 PolarHBondContact O-N 3.29Å; M173-L177 PolarHBondContact O-N 3.46Å
174N71.4Confident70.1Confident18 Ų1848 Ų4810%0.09625%0.247CC..Hα-helixtrans-64.2-40.5179-150.434.2000112.1M141 V144 L148 D170 K172 Q176 L177 Y178M141-N174 WeakPolarHBondContact CE-OD1 3.5Å; V144-N174 WeakPolarHBondContact CG1-ND2 3.46Å; L148-N174 HydrophobicContact CD1-CB 4.13Å; L148-N174 WeakPolarHBondContact CD1-ND2 3.12Å; D170-N174 WeakPolarHBondContact O-CB 3.37Å; D170-N174 PolarHBondContact O-N 3.46Å; K172-N174 VanDerWaalsContact C-N 3.32Å; N174-Q176 PolarHBondContact O-N 3.07Å; N174-L177 PolarHBondContact O-N 3.03Å; N174-Y178 HydrophobicContact CB-CD2 4.49Å; N174-Y178 HydrophobicContact CB-CE2 4.4Å; N174-Y178 WeakPolarHBondContact ND2-CE2 2.97Å; N174-Y178 WeakPolarHBondContact O-CD2 3.13Å; N174-Y178 PolarHBondContact O-N 3.12Å
175N71Confident70.7Confident14 Ų1445.7 Ų45.78%0.07524%0.239CC..Hα-helixtrans-69.1-31.6-175.7-156.989.8000114R171 K172 M173 L179 D209 Y212 I213R171-N175 WeakPolarHBondContact O-CB 3.32Å; R171-N175 PolarHBondContact O-N 2.96Å; R171-N175 VanDerWaalsContact O-N 3.1Å; K172-N175 PolarHBondContact O-N 2.94Å; M173-N175 PolarHBondContact O-N 3.29Å; N175-L179 PolarHBondContact O-N 3.16Å; N175-L179 VanDerWaalsContact O-N 3.07Å; N175-D209 PolarHBondContact ND2-O 3.44Å; N175-Y212 WeakPolarHBondContact OD1-CB 3.47Å; N175-I213 WeakPolarHBondContact ND2-CG1 3.4Å
176Q73.5Confident71.3Confident97 Ų9745.6 Ų45.645%0.45324%0.235SC..Hα-helixtrans-70.5-35.2173.5-67.9-175.8-4.300111.8N174 L179 A180N174-Q176 PolarHBondContact O-N 3.07Å; Q176-L179 PolarHBondContact O-N 3.38Å; Q176-A180 PolarHBondContact O-N 3.45Å; Q176-A180 VanDerWaalsContact O-N 3.08Å
177L77.7Confident71.8Confident61 Ų6146.9 Ų46.932%0.31924%0.236SC..Hα-helixtrans-71-38.5175.4-178.758.3000111.5F134 M141 M173 N174 L179 A180 I181F134-L177 HydrophobicContact CD1-CD1 3.85Å; F134-L177 HydrophobicContact CE1-CD1 4.24Å; F134-L177 HydrophobicContact CG-CD1 4.22Å; M141-L177 HydrophobicContact CE-CB 3.82Å; M141-L177 HydrophobicContact CE-CD2 3.62Å; M141-L177 HydrophobicContact CE-CG 3.59Å; M141-L177 HydrophobicContact SD-CD2 3.42Å; M141-L177 WeakPolarHBondContact SD-CD2 3.47Å; M141-L177 HydrophobicContact SD-CG 3.99Å; M173-L177 PolarHBondContact O-N 3.46Å; N174-L177 PolarHBondContact O-N 3.03Å; L177-L179 VanDerWaalsContact C-N 3.34Å; L177-A180 PolarHBondContact O-N 3.44Å; L177-I181 HydrophobicContact CD1-CD1 4.36Å; L177-I181 HydrophobicContact CG-CD1 4.11Å; L177-I181 VanDerWaalsContact O-CG1 3.32Å; L177-I181 WeakPolarHBondContact O-CG1 3.46Å; L177-I181 PolarHBondContact O-N 3.1Å
178Y79.8Confident72.1Confident36 Ų3646.3 Ų46.314%0.14124%0.235CC..Hα-helixtrans-57.2-47.8169.8-81.5-67000111.5M141 G145 N174 A180 I181 D182 D209M141-Y178 HydrophobicContact CB-CD1 4.49Å; M141-Y178 HydrophobicContact CB-CE1 3.72Å; M141-Y178 HydrophobicContact CE-CD1 4.06Å; M141-Y178 HydrophobicContact CE-CD2 3.82Å; M141-Y178 HydrophobicContact CE-CE1 4.06Å; M141-Y178 HydrophobicContact CE-CE2 3.86Å; M141-Y178 HydrophobicContact CE-CG 3.92Å; M141-Y178 PolarHBondContact O-OH 3.48Å; G145-Y178 WeakPolarHBondContact CA-OH 3.43Å; G145-Y178 PolarHBondContact N-OH 3.41Å; N174-Y178 HydrophobicContact CB-CD2 4.49Å; N174-Y178 HydrophobicContact CB-CE2 4.4Å; N174-Y178 WeakPolarHBondContact ND2-CE2 2.97Å; N174-Y178 WeakPolarHBondContact O-CD2 3.13Å; N174-Y178 PolarHBondContact O-N 3.12Å; Y178-A180 VanDerWaalsContact C-N 3.26Å; Y178-A180 PolarHBondContact O-N 2.9Å; Y178-I181 CarbonylContact O-C 3.55Å; Y178-I181 WeakPolarHBondContact O-CA 3.28Å; Y178-I181 WeakPolarHBondContact O-CB 3.12Å; Y178-I181 PolarHBondContact O-N 3.22Å; Y178-D182 WeakPolarHBondContact O-CB 3.48Å; Y178-D182 PolarHBondContact O-N 3.22Å; Y178-D209 WeakPolarHBondContact CB-OD2 3.3Å
179L81.2Confident72.3Confident3 Ų347.5 Ų47.52%0.01626%0.258CS..Hα-helixtrans-60.4-39.8178.6-177.667000111.4C120 V123 N175 Q176 L177 I181 V183 L206 D209 I213C120-L179 HydrophobicContact CB-CD2 4.01Å; V123-L179 HydrophobicContact CB-CD2 3.93Å; V123-L179 HydrophobicContact CB-CG 4.46Å; V123-L179 HydrophobicContact CG1-CB 4.07Å; V123-L179 HydrophobicContact CG1-CD2 3.92Å; V123-L179 HydrophobicContact CG1-CG 3.91Å; N175-L179 PolarHBondContact O-N 3.16Å; N175-L179 VanDerWaalsContact O-N 3.07Å; Q176-L179 PolarHBondContact O-N 3.38Å; L177-L179 VanDerWaalsContact C-N 3.34Å; L179-I181 VanDerWaalsContact C-N 3.35Å; L179-V183 HydrophobicContact CD1-CG2 4.22Å; L179-V183 HydrophobicContact CG-CG2 4.38Å; L179-V183 VanDerWaalsContact O-CB 3.29Å; L179-V183 WeakPolarHBondContact O-CB 3.38Å; L179-V183 WeakPolarHBondContact O-CG2 3.49Å; L179-V183 PolarHBondContact O-N 3.06Å; L179-L206 HydrophobicContact CD1-CD2 3.83Å; L179-D209 WeakPolarHBondContact CA-OD2 3.47Å; L179-D209 HydrophobicContact CB-CB 4.25Å; L179-D209 HydrophobicContact CD1-CB 4.04Å; L179-D209 PolarHBondContact N-OD2 3.14Å; L179-I213 HydrophobicContact CB-CD1 4.39Å; L179-I213 HydrophobicContact CD2-CD1 3.62Å
180A80.6Confident73Confident6 Ų645.3 Ų45.35%0.0524%0.244CC..Hα-helixtrans-63.3-40.7175.400000112.3V123 A127 Q176 L177 Y178 Q184V123-A180 HydrophobicContact CG1-CB 3.84Å; A127-A180 HydrophobicContact CB-CB 4.3Å; Q176-A180 PolarHBondContact O-N 3.45Å; Q176-A180 VanDerWaalsContact O-N 3.08Å; L177-A180 PolarHBondContact O-N 3.44Å; Y178-A180 VanDerWaalsContact C-N 3.26Å; Y178-A180 PolarHBondContact O-N 2.9Å; A180-Q184 WeakPolarHBondContact O-CG 3.38Å; A180-Q184 PolarHBondContact O-N 3.41Å
181I77.8Confident73.2Confident4 Ų450.9 Ų50.92%0.02126%0.258CS..Hα-helixtrans-67.6-49.1177.2-70.3166.3000110.6F134 M138 M141 L177 Y178 L179 V183 Q184 L185F134-I181 HydrophobicContact CB-CD1 4.44Å; F134-I181 HydrophobicContact CB-CG1 3.62Å; M138-I181 HydrophobicContact CE-CG2 4.37Å; M141-I181 HydrophobicContact CB-CD1 4.45Å; M141-I181 HydrophobicContact CE-CD1 4.23Å; M141-I181 HydrophobicContact CG-CD1 3.59Å; M141-I181 HydrophobicContact SD-CD1 4.45Å; L177-I181 HydrophobicContact CD1-CD1 4.36Å; L177-I181 HydrophobicContact CG-CD1 4.11Å; L177-I181 VanDerWaalsContact O-CG1 3.32Å; L177-I181 WeakPolarHBondContact O-CG1 3.46Å; L177-I181 PolarHBondContact O-N 3.1Å; Y178-I181 CarbonylContact O-C 3.55Å; Y178-I181 WeakPolarHBondContact O-CA 3.28Å; Y178-I181 WeakPolarHBondContact O-CB 3.12Å; Y178-I181 PolarHBondContact O-N 3.22Å; L179-I181 VanDerWaalsContact C-N 3.35Å; I181-V183 VanDerWaalsContact C-N 3.3Å; I181-V183 PolarHBondContact O-N 2.85Å; I181-Q184 CarbonylContact O-C 3.55Å; I181-Q184 WeakPolarHBondContact O-CA 3.39Å; I181-Q184 WeakPolarHBondContact O-CB 2.96Å; I181-Q184 PolarHBondContact O-N 2.91Å; I181-L185 HydrophobicContact CG2-CD1 3.95Å; I181-L185 HydrophobicContact CG2-CG 4.21Å; I181-L185 VanDerWaalsContact O-CG 3.3Å; I181-L185 WeakPolarHBondContact O-CG 3.14Å; I181-L185 PolarHBondContact O-N 3.09Å
182D79.5Confident73.2Confident6 Ų650.2 Ų50.23%0.03226%0.261CS..Hα-helixtrans-62.3-39.6-179.4-77.3-9.1000110.9Y178 L185 V186 Q205 L206Y178-D182 WeakPolarHBondContact O-CB 3.48Å; Y178-D182 PolarHBondContact O-N 3.22Å; D182-L185 PolarHBondContact O-N 2.9Å; D182-V186 WeakPolarHBondContact O-CB 3.05Å; D182-V186 WeakPolarHBondContact O-CG2 3.38Å; D182-V186 PolarHBondContact O-N 3.38Å; D182-Q205 PolarHBondContact OD1-NE2 2.88Å; D182-Q205 VanDerWaalsContact OD1-NE2 3.12Å; D182-Q205 WeakPolarHBondContact OD2-CB 3.4Å; D182-L206 HydrophobicContact CB-CD2 3.82Å; D182-L206 HydrophobicContact CB-CG 4.43Å
183V76.4Confident73.4Confident11 Ų1153.8 Ų53.87%0.06728%0.279CS..Hα-helixtrans-61.6-44.8171.2170.80000111.2A127 L179 I181 L185 V186 I187 L206A127-V183 HydrophobicContact CB-CB 4Å; A127-V183 HydrophobicContact CB-CG1 3.71Å; L179-V183 HydrophobicContact CD1-CG2 4.22Å; L179-V183 HydrophobicContact CG-CG2 4.38Å; L179-V183 VanDerWaalsContact O-CB 3.29Å; L179-V183 WeakPolarHBondContact O-CB 3.38Å; L179-V183 WeakPolarHBondContact O-CG2 3.49Å; L179-V183 PolarHBondContact O-N 3.06Å; I181-V183 VanDerWaalsContact C-N 3.3Å; I181-V183 PolarHBondContact O-N 2.85Å; V183-L185 PolarHBondContact O-N 3.47Å; V183-V186 PolarHBondContact O-N 3.48Å; V183-I187 HydrophobicContact CG1-CD1 3.34Å; V183-I187 HydrophobicContact CG1-CG1 4.26Å; V183-I187 VanDerWaalsContact O-CD1 3.28Å; V183-I187 WeakPolarHBondContact O-CD1 3.3Å; V183-I187 VanDerWaalsContact O-CG1 3.24Å; V183-I187 WeakPolarHBondContact O-CG1 3.22Å; V183-I187 PolarHBondContact O-N 2.98Å; V183-L206 HydrophobicContact CG2-CD2 3.75Å
184Q79.1Confident73.5Confident2 Ų248.2 Ų48.21%0.00925%0.252CS..Hα-helixtrans-64.5-37.1177.1-75.8-172.3-15.400113.1A127 T130 Y132 T135 A180 I181 V186 G188A127-Q184 HydrophobicContact CB-CG 4.16Å; A127-Q184 PolarHBondContact O-NE2 2.84Å; T130-Q184 VanDerWaalsContact CG2-NE2 3.27Å; Y132-Q184 PolarHBondContact O-NE2 3.05Å; T135-Q184 HydrophobicContact CG2-CB 3.6Å; A180-Q184 WeakPolarHBondContact O-CG 3.38Å; A180-Q184 PolarHBondContact O-N 3.41Å; I181-Q184 CarbonylContact O-C 3.55Å; I181-Q184 WeakPolarHBondContact O-CA 3.39Å; I181-Q184 WeakPolarHBondContact O-CB 2.96Å; I181-Q184 PolarHBondContact O-N 2.91Å; Q184-V186 VanDerWaalsContact C-N 3.33Å; Q184-G188 PolarHBondContact O-N 3.35Å
185L73.3Confident73.2Confident6 Ų650 Ų503%0.03127%0.265CS..Hα-helixtrans-65.1-36.9175.4-71.1171.4000112.5T135 M138 I181 D182 V183 L192 I194T135-L185 HydrophobicContact CG2-CD2 3.99Å; T135-L185 HydrophobicContact CG2-CG 4.25Å; M138-L185 HydrophobicContact CE-CD1 3.26Å; M138-L185 HydrophobicContact CE-CD2 3.37Å; M138-L185 HydrophobicContact CE-CG 3.82Å; I181-L185 HydrophobicContact CG2-CD1 3.95Å; I181-L185 HydrophobicContact CG2-CG 4.21Å; I181-L185 VanDerWaalsContact O-CG 3.3Å; I181-L185 WeakPolarHBondContact O-CG 3.14Å; I181-L185 PolarHBondContact O-N 3.09Å; D182-L185 PolarHBondContact O-N 2.9Å; V183-L185 PolarHBondContact O-N 3.47Å; L185-L192 HydrophobicContact CD2-CB 3.65Å; L185-L192 WeakPolarHBondContact CD2-O 3.44Å; L185-I194 HydrophobicContact CB-CD1 3.77Å; L185-I194 HydrophobicContact CB-CG1 4Å; L185-I194 HydrophobicContact CD1-CD1 4.37Å; L185-I194 PolarHBondContact O-N 3.13Å
186V72.4Confident72.8Confident68 Ų6854.3 Ų54.341%0.41229%0.294SS..Hα-helixtrans-74.4-41.6179.31740000111.5D182 V183 Q184 G188 A202 L206D182-V186 WeakPolarHBondContact O-CB 3.05Å; D182-V186 WeakPolarHBondContact O-CG2 3.38Å; D182-V186 PolarHBondContact O-N 3.38Å; V183-V186 PolarHBondContact O-N 3.48Å; Q184-V186 VanDerWaalsContact C-N 3.33Å; V186-G188 VanDerWaalsContact C-N 3.32Å; V186-A202 HydrophobicContact CG2-CB 3.68Å; V186-L206 HydrophobicContact CG2-CD1 3.79Å; V186-L206 HydrophobicContact CG2-CG 4.17Å
187I72.3Confident72.3Confident90 Ų9054.4 Ų54.446%0.46230%0.295SS..Hα-helixtrans-69.6-34179.1-66.4157.3000111.2M128 V183M128-I187 HydrophobicContact CB-CD1 4.12Å; M128-I187 HydrophobicContact CG-CD1 3.22Å; M128-I187 HydrophobicContact CG-CG1 4.28Å; V183-I187 HydrophobicContact CG1-CD1 3.34Å; V183-I187 HydrophobicContact CG1-CG1 4.26Å; V183-I187 VanDerWaalsContact O-CD1 3.28Å; V183-I187 WeakPolarHBondContact O-CD1 3.3Å; V183-I187 VanDerWaalsContact O-CG1 3.24Å; V183-I187 WeakPolarHBondContact O-CG1 3.22Å; V183-I187 PolarHBondContact O-N 2.98Å
188G67.4Low71.8Confident17 Ų1752.2 Ų52.218%0.17528%0.283CS..  trans74.4-172.8-174.800000113.4Q184 V186Q184-G188 PolarHBondContact O-N 3.35Å; V186-G188 VanDerWaalsContact C-N 3.32Å
189G67Low71Confident70 Ų7057.5 Ų57.572%0.72230%0.304SS*.  trans79.116.5179.800000115E193G189-E193 PolarHBondContact N-OE2 3.46Å
190K73.6Confident70Confident60 Ų6059.1 Ų59.126%0.26131%0.314SS..SBendtrans-122.9-174.2173.6-62.1-59.1-175.1-179.20109.8T130 K131 D133 T135 L192T130-K190 PolarHBondContact O-NZ 3.43Å; T130-K190 VanDerWaalsContact O-NZ 3.07Å; K131-K190 PolarHBondContact O-NZ 3.41Å; D133-K190 HydrophobicContact CB-CD 4.1Å; T135-K190 HydrophobicContact CG2-CB 4.05Å; K190-L192 PolarHBondContact O-N 3.3Å
191R67.8Low69.3Low208 Ų20860.2 Ų60.279%0.78532%0.318SS*.SBendtrans-62-38.2-176.7-77.6174.8-178.2-154.51.7114.3D133D133-R191 WeakPolarHBondContact OD2-CB 3.5Å; D133-R191 WeakPolarHBondContact OD2-CG 3.35Å; D133-R191 PolarHBondContact OD2-N 3.07Å
192L63.8Low68.6Low79 Ų7960.3 Ų60.341%0.41432%0.319SS..SBendtrans-115.7133.5172.9-59.8172.8000108T135 M138 L185 K190T135-L192 WeakPolarHBondContact O-CD1 3.45Å; T135-L192 PolarHBondContact OG1-N 2.94Å; M138-L192 HydrophobicContact CB-CD1 4.06Å; M138-L192 HydrophobicContact CE-CB 4.5Å; M138-L192 HydrophobicContact CE-CD1 3.74Å; M138-L192 HydrophobicContact SD-CD1 3.88Å; L185-L192 HydrophobicContact CD2-CB 3.65Å; L185-L192 WeakPolarHBondContact CD2-O 3.44Å; K190-L192 PolarHBondContact O-N 3.3Å
193E70.1Confident68.1Low126 Ų12662.7 Ų62.759%0.58934%0.34SS*.  trans-139146.4174.661.3-173.8-168.500109G189G189-E193 PolarHBondContact N-OE2 3.46Å
194I67.1Low67.5Low31 Ų3162.8 Ų62.816%0.15934%0.342CS..  trans-83.1129176.6-68.4168.4000107.7L185 D198 F201 A202 Q205L185-I194 HydrophobicContact CB-CD1 3.77Å; L185-I194 HydrophobicContact CB-CG1 4Å; L185-I194 HydrophobicContact CD1-CD1 4.37Å; L185-I194 PolarHBondContact O-N 3.13Å; I194-D198 HydrophobicContact CG2-CB 3.54Å; I194-F201 HydrophobicContact CD1-CD1 4.25Å; I194-F201 HydrophobicContact CD1-CE1 4.49Å; I194-A202 HydrophobicContact CD1-CB 3.73Å; I194-A202 HydrophobicContact CG2-CB 4.13Å; I194-Q205 VanDerWaalsContact CD1-OE1 3.3Å
195S65Low67.1Low54 Ų5463 Ų6338%0.37834%0.343SS..  trans-58.7140.5174.9-1750000109.6E197 D198S195-E197 PolarHBondContact O-N 2.99Å; S195-D198 WeakPolarHBondContact O-CB 3.24Å; S195-D198 PolarHBondContact O-N 2.76Å
196P64.1Low67.2Low106 Ų10664.7 Ų64.769%0.68835%0.352SS*.G310 helixtrans-54-25.3177.9-2734.4000113.9D198P196-D198 PolarHBondContact O-N 3.26Å
197E62.4Low67.3Low99 Ų9964.4 Ų64.446%0.46335%0.347SS..G310 helixtrans-62.9-20.3174.8-59.2-173-174.400113.4R83 S195R83-E197 IonicContact NH2-OE2 2.8Å; R83-E197 PolarHBondContact NH2-OE2 2.94Å; S195-E197 PolarHBondContact O-N 2.99Å
198D66.2Low67.1Low14 Ų1460.4 Ų60.48%0.07533%0.327CS..G310 helixtrans-10723.3-172-62-36.8000112.8R82 I194 S195 P196 V200 F201 A202R82-D198 WeakPolarHBondContact CD-OD1 3.48Å; R82-D198 WeakPolarHBondContact CD-OD2 3.34Å; R82-D198 HydrophobicContact CG-CB 4.4Å; R82-D198 WeakPolarHBondContact CG-OD1 3.29Å; R82-D198 IonicContact CZ-OD2 3.77Å; R82-D198 IonicContact NE-OD2 2.63Å; R82-D198 IonicContact NH1-OD2 2.7Å; R82-D198 PolarHBondContact NH1-OD2 3.25Å; I194-D198 HydrophobicContact CG2-CB 3.54Å; S195-D198 WeakPolarHBondContact O-CB 3.24Å; S195-D198 PolarHBondContact O-N 2.76Å; P196-D198 PolarHBondContact O-N 3.26Å; D198-V200 PolarHBondContact O-N 2.7Å; D198-V200 VanDerWaalsContact O-N 3.09Å; D198-F201 WeakPolarHBondContact O-CB 3.42Å; D198-F201 PolarHBondContact O-N 3.28Å; D198-A202 PolarHBondContact O-N 2.93Å; D198-A202 VanDerWaalsContact O-N 3.16Å
199Y64.2Low67.5Low147 Ų14760.1 Ų60.158%0.57632%0.322SS*.Hα-helixtrans-53.4-32.8-178.971.2-87.4000113.8F201 A202 A203Y199-F201 VanDerWaalsContact C-N 3.34Å; Y199-A202 PolarHBondContact O-N 3.03Å; Y199-A203 VanDerWaalsContact O-CB 3.3Å; Y199-A203 WeakPolarHBondContact O-CB 3.26Å; Y199-A203 PolarHBondContact O-N 3.08Å
200V60.3Low67.9Low38 Ų3860 Ų6023%0.2330%0.304CS..Hα-helixtrans-61.8-44175.6168.10000111.2Y85 D198 A204Y85-V200 HydrophobicContact CD2-CB 4.48Å; Y85-V200 HydrophobicContact CD2-CG1 3.57Å; Y85-V200 HydrophobicContact CD2-CG2 4.04Å; Y85-V200 HydrophobicContact CE2-CG1 3.72Å; Y85-V200 HydrophobicContact CE2-CG2 4.04Å; D198-V200 PolarHBondContact O-N 2.7Å; D198-V200 VanDerWaalsContact O-N 3.09Å; V200-A204 WeakPolarHBondContact O-CB 3.48Å; V200-A204 PolarHBondContact O-N 3.01Å
201F65.7Low67.9Low28 Ų2858 Ų5812%0.12330%0.296CS..Hα-helixtrans-66.6-47-179.8175.4-117.4000110I75 R82 I194 D198 Y199 A203 A204 Q205I75-F201 HydrophobicContact CB-CD2 4.05Å; I75-F201 HydrophobicContact CB-CE2 3.73Å; I75-F201 HydrophobicContact CB-CZ 4.34Å; I75-F201 HydrophobicContact CD1-CD2 3.51Å; I75-F201 HydrophobicContact CD1-CE2 3.84Å; I75-F201 HydrophobicContact CG1-CD2 4.34Å; I75-F201 HydrophobicContact CG1-CE2 4.4Å; I75-F201 HydrophobicContact CG2-CD1 4.17Å; I75-F201 HydrophobicContact CG2-CD2 3.42Å; I75-F201 VanDerWaalsContact CG2-CD2 3.42Å; I75-F201 HydrophobicContact CG2-CE1 4.11Å; I75-F201 HydrophobicContact CG2-CE2 3.34Å; I75-F201 HydrophobicContact CG2-CG 3.82Å; I75-F201 HydrophobicContact CG2-CZ 3.71Å; R82-F201 HydrophobicContact CG-CB 4.4Å; I194-F201 HydrophobicContact CD1-CD1 4.25Å; I194-F201 HydrophobicContact CD1-CE1 4.49Å; D198-F201 WeakPolarHBondContact O-CB 3.42Å; D198-F201 PolarHBondContact O-N 3.28Å; Y199-F201 VanDerWaalsContact C-N 3.34Å; F201-A203 VanDerWaalsContact C-N 3.33Å; F201-A203 PolarHBondContact O-N 3.36Å; F201-A204 PolarHBondContact O-N 3.4Å; F201-A204 VanDerWaalsContact O-N 3.14Å; F201-Q205 HydrophobicContact CD2-CG 4.26Å; F201-Q205 VanDerWaalsContact CE1-CD 3.46Å; F201-Q205 HydrophobicContact CE1-CG 4.28Å; F201-Q205 HydrophobicContact CE2-CG 3.95Å; F201-Q205 VanDerWaalsContact CZ-CD 3.46Å; F201-Q205 HydrophobicContact CZ-CG 3.95Å; F201-Q205 WeakPolarHBondContact O-CG 3.32Å; F201-Q205 PolarHBondContact O-N 2.82Å
202A64Low68.1Low7 Ų750 Ų506%0.05827%0.267CS..Hα-helixtrans-57.2-45.4176.700000111.9V186 I194 D198 Y199 Q205 L206V186-A202 HydrophobicContact CG2-CB 3.68Å; I194-A202 HydrophobicContact CD1-CB 3.73Å; I194-A202 HydrophobicContact CG2-CB 4.13Å; D198-A202 PolarHBondContact O-N 2.93Å; D198-A202 VanDerWaalsContact O-N 3.16Å; Y199-A202 PolarHBondContact O-N 3.03Å; A202-Q205 PolarHBondContact O-N 2.98Å; A202-L206 WeakPolarHBondContact O-CG 3.48Å; A202-L206 PolarHBondContact O-N 3.49Å; A202-L206 VanDerWaalsContact O-N 3.1Å
203A67.2Low68.6Low56 Ų5646.6 Ų46.646%0.46325%0.249SC..Hα-helixtrans-66.2-38.4177.100000112.7Y199 F201 L207Y199-A203 VanDerWaalsContact O-CB 3.3Å; Y199-A203 WeakPolarHBondContact O-CB 3.26Å; Y199-A203 PolarHBondContact O-N 3.08Å; F201-A203 VanDerWaalsContact C-N 3.33Å; F201-A203 PolarHBondContact O-N 3.36Å; A203-L207 VanDerWaalsContact O-CB 3.26Å; A203-L207 WeakPolarHBondContact O-CB 3.47Å; A203-L207 PolarHBondContact O-N 2.81Å
204A65.5Low68.8Low13 Ų1341.8 Ų41.811%0.10723%0.226CC..Hα-helixtrans-66.8-40.5177.600000112V200 F201 L207 V208V200-A204 WeakPolarHBondContact O-CB 3.48Å; V200-A204 PolarHBondContact O-N 3.01Å; F201-A204 PolarHBondContact O-N 3.4Å; F201-A204 VanDerWaalsContact O-N 3.14Å; A204-L207 PolarHBondContact O-N 2.8Å; A204-V208 WeakPolarHBondContact O-CG2 3.48Å; A204-V208 PolarHBondContact O-N 3.22Å; A204-V208 VanDerWaalsContact O-N 3.09Å
205Q70.1Confident69Low7 Ų742.1 Ų42.13%0.03323%0.227CC..Hα-helixtrans-59.4-56.3174.8-76.2-175.8-83.800111.4Y72 D182 I194 F201 A202 L207 V208 D209Y72-Q205 HydrophobicContact CE2-CG 4.43Å; D182-Q205 PolarHBondContact OD1-NE2 2.88Å; D182-Q205 VanDerWaalsContact OD1-NE2 3.12Å; D182-Q205 WeakPolarHBondContact OD2-CB 3.4Å; I194-Q205 VanDerWaalsContact CD1-OE1 3.3Å; F201-Q205 HydrophobicContact CD2-CG 4.26Å; F201-Q205 VanDerWaalsContact CE1-CD 3.46Å; F201-Q205 HydrophobicContact CE1-CG 4.28Å; F201-Q205 HydrophobicContact CE2-CG 3.95Å; F201-Q205 VanDerWaalsContact CZ-CD 3.46Å; F201-Q205 HydrophobicContact CZ-CG 3.95Å; F201-Q205 WeakPolarHBondContact O-CG 3.32Å; F201-Q205 PolarHBondContact O-N 2.82Å; A202-Q205 PolarHBondContact O-N 2.98Å; Q205-L207 VanDerWaalsContact C-N 3.26Å; Q205-L207 PolarHBondContact O-N 2.68Å; Q205-V208 PolarHBondContact O-N 3.39Å; Q205-V208 VanDerWaalsContact O-N 3.07Å; Q205-D209 PolarHBondContact O-N 3.46Å; Q205-D209 VanDerWaalsContact O-N 3.09Å
206L74.3Confident69.3Low41 Ų4142.3 Ų42.322%0.21522%0.22CC..Hα-helixtrans-55.1-41.6176.7-74.5175.7000112.5L179 D182 V183 V186 A202 V208 D209 I210L179-L206 HydrophobicContact CD1-CD2 3.83Å; D182-L206 HydrophobicContact CB-CD2 3.82Å; D182-L206 HydrophobicContact CB-CG 4.43Å; V183-L206 HydrophobicContact CG2-CD2 3.75Å; V186-L206 HydrophobicContact CG2-CD1 3.79Å; V186-L206 HydrophobicContact CG2-CG 4.17Å; A202-L206 WeakPolarHBondContact O-CG 3.48Å; A202-L206 PolarHBondContact O-N 3.49Å; A202-L206 VanDerWaalsContact O-N 3.1Å; L206-V208 VanDerWaalsContact C-N 3.34Å; L206-V208 PolarHBondContact O-N 2.86Å; L206-D209 PolarHBondContact O-N 2.96Å; L206-I210 WeakPolarHBondContact O-CD1 3.04Å; L206-I210 WeakPolarHBondContact O-CG1 3.3Å; L206-I210 PolarHBondContact O-N 3.1Å
207L74.4Confident69.7Low61 Ų6138 Ų3832%0.31919%0.191SC..Hα-helixtrans-65.7-38.6-179.1-175.161000111.9L92 A203 A204 Q205 I210 V211L92-L207 HydrophobicContact CB-CD2 4.14Å; L92-L207 HydrophobicContact CD1-CB 4.33Å; L92-L207 HydrophobicContact CD1-CD2 3.74Å; L92-L207 HydrophobicContact CD1-CG 4.16Å; L92-L207 HydrophobicContact CD2-CB 4.37Å; L92-L207 HydrophobicContact CD2-CD2 3.56Å; L92-L207 HydrophobicContact CD2-CG 3.52Å; L92-L207 HydrophobicContact CG-CD2 3.98Å; L92-L207 HydrophobicContact CG-CG 4.36Å; A203-L207 VanDerWaalsContact O-CB 3.26Å; A203-L207 WeakPolarHBondContact O-CB 3.47Å; A203-L207 PolarHBondContact O-N 2.81Å; A204-L207 PolarHBondContact O-N 2.8Å; Q205-L207 VanDerWaalsContact C-N 3.26Å; Q205-L207 PolarHBondContact O-N 2.68Å; L207-I210 PolarHBondContact O-N 3.3Å; L207-V211 VanDerWaalsContact O-CG2 3.29Å; L207-V211 WeakPolarHBondContact O-CG2 3.13Å; L207-V211 PolarHBondContact O-N 2.94Å
208V69.3Low70Confident7 Ų733.3 Ų33.34%0.04217%0.169CC..Hα-helixtrans-67.6-42176.9167.60000112F68 L92 A204 Q205 L206 I210 V211 Y212F68-V208 HydrophobicContact CD1-CG1 4.25Å; F68-V208 HydrophobicContact CD2-CG2 3.6Å; F68-V208 HydrophobicContact CE1-CB 4.2Å; F68-V208 HydrophobicContact CE1-CG1 3.61Å; F68-V208 HydrophobicContact CE1-CG2 4.12Å; F68-V208 HydrophobicContact CE2-CB 3.88Å; F68-V208 HydrophobicContact CE2-CG1 4.18Å; F68-V208 HydrophobicContact CE2-CG2 3.11Å; F68-V208 HydrophobicContact CG-CG2 4.27Å; F68-V208 HydrophobicContact CZ-CB 3.61Å; F68-V208 HydrophobicContact CZ-CG1 3.56Å; F68-V208 HydrophobicContact CZ-CG2 3.4Å; F68-V208 VanDerWaalsContact CZ-CG2 3.4Å; L92-V208 HydrophobicContact CD1-CG2 3.85Å; L92-V208 HydrophobicContact CD2-CG2 4.16Å; L92-V208 HydrophobicContact CG-CG2 4.18Å; A204-V208 WeakPolarHBondContact O-CG2 3.48Å; A204-V208 PolarHBondContact O-N 3.22Å; A204-V208 VanDerWaalsContact O-N 3.09Å; Q205-V208 PolarHBondContact O-N 3.39Å; Q205-V208 VanDerWaalsContact O-N 3.07Å; L206-V208 VanDerWaalsContact C-N 3.34Å; L206-V208 PolarHBondContact O-N 2.86Å; V208-I210 VanDerWaalsContact C-N 3.32Å; V208-I210 PolarHBondContact O-N 2.89Å; V208-V211 PolarHBondContact O-N 3.45Å; V208-Y212 HydrophobicContact CG1-CD2 3.57Å; V208-Y212 HydrophobicContact CG1-CE2 3.17Å; V208-Y212 VanDerWaalsContact O-CD2 3.32Å; V208-Y212 WeakPolarHBondContact O-CD2 3.31Å; V208-Y212 PolarHBondContact O-N 2.91Å
209D76.4Confident70.2Confident11 Ų1134.9 Ų34.96%0.05918%0.176CC..Hα-helixtrans-57.9-47.3174.8-80.2-3.9000111.1N175 Y178 L179 Q205 L206 V211 Y212 I213N175-D209 PolarHBondContact ND2-O 3.44Å; Y178-D209 WeakPolarHBondContact CB-OD2 3.3Å; L179-D209 WeakPolarHBondContact CA-OD2 3.47Å; L179-D209 HydrophobicContact CB-CB 4.25Å; L179-D209 HydrophobicContact CD1-CB 4.04Å; L179-D209 PolarHBondContact N-OD2 3.14Å; Q205-D209 PolarHBondContact O-N 3.46Å; Q205-D209 VanDerWaalsContact O-N 3.09Å; L206-D209 PolarHBondContact O-N 2.96Å; D209-V211 VanDerWaalsContact C-N 3.34Å; D209-V211 PolarHBondContact O-N 3.16Å; D209-Y212 PolarHBondContact O-N 3.21Å; D209-I213 WeakPolarHBondContact O-CG1 3.29Å; D209-I213 PolarHBondContact O-N 3.47Å
210I74.7Confident70.3Confident66 Ų6631.1 Ų31.134%0.33817%0.165SC..Hα-helixtrans-57.7-45.7176.5-67.3164.3000111.2L206 L207 V208 Y212 I213 F214L206-I210 WeakPolarHBondContact O-CD1 3.04Å; L206-I210 WeakPolarHBondContact O-CG1 3.3Å; L206-I210 PolarHBondContact O-N 3.1Å; L207-I210 PolarHBondContact O-N 3.3Å; V208-I210 VanDerWaalsContact C-N 3.32Å; V208-I210 PolarHBondContact O-N 2.89Å; I210-Y212 VanDerWaalsContact C-N 3.31Å; I210-Y212 PolarHBondContact O-N 2.97Å; I210-I213 PolarHBondContact O-N 3.05Å; I210-F214 VanDerWaalsContact O-CB 3.29Å; I210-F214 WeakPolarHBondContact O-CB 3.48Å; I210-F214 PolarHBondContact O-N 3.22Å
211V72.9Confident70.8Confident18 Ų1830 Ų3011%0.10916%0.159CC..Hα-helixtrans-62.1-39.1179.9169.80000111.5L92 V96 L207 V208 D209 F214 M215L92-V211 HydrophobicContact CD2-CG2 4.05Å; V96-V211 HydrophobicContact CG2-CG2 3.58Å; L207-V211 VanDerWaalsContact O-CG2 3.29Å; L207-V211 WeakPolarHBondContact O-CG2 3.13Å; L207-V211 PolarHBondContact O-N 2.94Å; V208-V211 PolarHBondContact O-N 3.45Å; D209-V211 VanDerWaalsContact C-N 3.34Å; D209-V211 PolarHBondContact O-N 3.16Å; V211-F214 PolarHBondContact O-N 3.02Å; V211-M215 WeakPolarHBondContact O-CB 3.44Å; V211-M215 WeakPolarHBondContact O-CG 3.28Å; V211-M215 PolarHBondContact O-N 2.54Å
212Y72.6Confident70.8Confident41 Ų4128.9 Ų28.916%0.16116%0.155CC..Hα-helixtrans-71.7-39.4176.4-73.7-46.7000113.6L65 N175 V208 D209 I210 F214 M215 Y216L65-Y212 WeakPolarHBondContact CD1-OH 3.25Å; N175-Y212 WeakPolarHBondContact OD1-CB 3.47Å; V208-Y212 HydrophobicContact CG1-CD2 3.57Å; V208-Y212 HydrophobicContact CG1-CE2 3.17Å; V208-Y212 VanDerWaalsContact O-CD2 3.32Å; V208-Y212 WeakPolarHBondContact O-CD2 3.31Å; V208-Y212 PolarHBondContact O-N 2.91Å; D209-Y212 PolarHBondContact O-N 3.21Å; I210-Y212 VanDerWaalsContact C-N 3.31Å; I210-Y212 PolarHBondContact O-N 2.97Å; Y212-F214 VanDerWaalsContact C-N 3.28Å; Y212-F214 PolarHBondContact O-N 2.99Å; Y212-M215 PolarHBondContact O-N 3.04Å; Y212-Y216 WeakPolarHBondContact O-CB 3.11Å; Y212-Y216 PolarHBondContact O-N 3.45Å
213I74.2Confident71Confident7 Ų735.2 Ų35.24%0.03618%0.181CC..Hα-helixtrans-57.9-48.3171.7-62.8-179.1000109N175 L179 D209 I210 M215 Y216 L217N175-I213 WeakPolarHBondContact ND2-CG1 3.4Å; L179-I213 HydrophobicContact CB-CD1 4.39Å; L179-I213 HydrophobicContact CD2-CD1 3.62Å; D209-I213 WeakPolarHBondContact O-CG1 3.29Å; D209-I213 PolarHBondContact O-N 3.47Å; I210-I213 PolarHBondContact O-N 3.05Å; I213-M215 PolarHBondContact O-N 2.83Å; I213-Y216 WeakPolarHBondContact O-CB 3.42Å; I213-Y216 PolarHBondContact O-N 2.92Å; I213-L217 HydrophobicContact CG2-CD1 3.79Å; I213-L217 HydrophobicContact CG2-CG 4.31Å; I213-L217 VanDerWaalsContact O-CG 3.31Å; I213-L217 WeakPolarHBondContact O-CG 3.26Å; I213-L217 PolarHBondContact O-N 3.45Å
214F75.2Confident70.8Confident25 Ų2536.3 Ų36.311%0.1119%0.19CC..Hα-helixtrans-61.6-46.5-178.7-179.9-110.4000112.1L100 V109 A112 A113 C116 I210 V211 Y212 Y216 L217 L218L100-F214 HydrophobicContact CD2-CD1 4.49Å; L100-F214 HydrophobicContact CD2-CE1 3.27Å; L100-F214 HydrophobicContact CD2-CZ 3.37Å; L100-F214 HydrophobicContact CG-CE1 4.12Å; V109-F214 HydrophobicContact CG1-CZ 4.07Å; A112-F214 HydrophobicContact CB-CD2 4.42Å; A112-F214 HydrophobicContact CB-CE2 4.01Å; A113-F214 HydrophobicContact CB-CD2 4.44Å; A113-F214 HydrophobicContact CB-CE2 3.78Å; C116-F214 HydrophobicContact CB-CB 4.36Å; C116-F214 HydrophobicContact CB-CD2 4.07Å; I210-F214 VanDerWaalsContact O-CB 3.29Å; I210-F214 WeakPolarHBondContact O-CB 3.48Å; I210-F214 PolarHBondContact O-N 3.22Å; V211-F214 PolarHBondContact O-N 3.02Å; Y212-F214 VanDerWaalsContact C-N 3.28Å; Y212-F214 PolarHBondContact O-N 2.99Å; F214-Y216 VanDerWaalsContact C-N 3.3Å; F214-Y216 PolarHBondContact O-N 3.45Å; F214-L217 PolarHBondContact O-N 3.09Å; F214-L218 HydrophobicContact CD1-CD1 3.92Å; F214-L218 HydrophobicContact CD1-CG 4.42Å; F214-L218 HydrophobicContact CE1-CD1 3.36Å; F214-L218 HydrophobicContact CE1-CG 3.96Å; F214-L218 HydrophobicContact CE2-CD2 4.42Å; F214-L218 HydrophobicContact CE2-CG 4.23Å; F214-L218 HydrophobicContact CZ-CD1 3.71Å; F214-L218 HydrophobicContact CZ-CD2 4.02Å; F214-L218 HydrophobicContact CZ-CG 3.86Å; F214-L218 WeakPolarHBondContact O-CG 3.2Å; F214-L218 PolarHBondContact O-N 3.45Å
215M70.5Confident70.5Confident39 Ų3940.5 Ų40.519%0.19220%0.203CC..Hα-helixtrans-60.4-40.4175.4-83.3-66-8400113C99 V211 Y212 I213 L218 Q219C99-M215 HydrophobicContact CB-CE 4.19Å; C99-M215 HydrophobicContact CB-CG 4.08Å; C99-M215 HydrophobicContact CB-SD 3.3Å; C99-M215 WeakPolarHBondContact CB-SD 3.47Å; C99-M215 WeakPolarHBondContact SG-CE 3.43Å; C99-M215 PolarHBondContact SG-SD 2.96Å; V211-M215 WeakPolarHBondContact O-CB 3.44Å; V211-M215 WeakPolarHBondContact O-CG 3.28Å; V211-M215 PolarHBondContact O-N 2.54Å; Y212-M215 PolarHBondContact O-N 3.04Å; I213-M215 PolarHBondContact O-N 2.83Å; M215-L218 PolarHBondContact O-N 3.29Å; M215-L218 HydrophobicContact SD-CD1 4.15Å; M215-Q219 WeakPolarHBondContact O-CG 3.28Å; M215-Q219 PolarHBondContact O-N 3.36Å; M215-Q219 VanDerWaalsContact O-N 3.15Å
216Y71.8Confident69.5Low58 Ų5850 Ų5023%0.22725%0.247CC..Hα-helixtrans-64.1-45.3175.6168.8-119.6000111.5K172 Y212 I213 F214 L218 Q219 I220K172-Y216 HydrophobicContact CB-CD1 4.3Å; K172-Y216 HydrophobicContact CB-CE1 4Å; K172-Y216 HydrophobicContact CD-CD2 3.97Å; K172-Y216 HydrophobicContact CD-CE1 3.86Å; K172-Y216 HydrophobicContact CD-CE2 3.26Å; K172-Y216 WeakPolarHBondContact CD-OH 3.45Å; K172-Y216 WeakPolarHBondContact CE-OH 3.37Å; K172-Y216 HydrophobicContact CG-CD1 3.79Å; K172-Y216 HydrophobicContact CG-CD2 3.46Å; K172-Y216 VanDerWaalsContact CG-CD2 3.46Å; K172-Y216 HydrophobicContact CG-CE1 3.51Å; K172-Y216 HydrophobicContact CG-CE2 3.29Å; K172-Y216 HydrophobicContact CG-CG 3.74Å; K172-Y216 PolarHBondContact NZ-OH 2.69Å; Y212-Y216 WeakPolarHBondContact O-CB 3.11Å; Y212-Y216 PolarHBondContact O-N 3.45Å; I213-Y216 WeakPolarHBondContact O-CB 3.42Å; I213-Y216 PolarHBondContact O-N 2.92Å; F214-Y216 VanDerWaalsContact C-N 3.3Å; F214-Y216 PolarHBondContact O-N 3.45Å; Y216-L218 VanDerWaalsContact C-N 3.33Å; Y216-L218 PolarHBondContact O-N 2.94Å; Y216-Q219 WeakPolarHBondContact O-CB 3.35Å; Y216-Q219 PolarHBondContact O-N 3.08Å; Y216-Q219 VanDerWaalsContact O-N 3.17Å; Y216-I220 HydrophobicContact CD1-CD1 4.07Å; Y216-I220 HydrophobicContact CD2-CD1 4.38Å; Y216-I220 HydrophobicContact CD2-CG1 4.26Å; Y216-I220 HydrophobicContact CE1-CD1 3.35Å; Y216-I220 HydrophobicContact CE1-CG1 4.2Å; Y216-I220 HydrophobicContact CE2-CD1 3.59Å; Y216-I220 HydrophobicContact CE2-CG1 3.45Å; Y216-I220 VanDerWaalsContact CE2-CG1 3.45Å; Y216-I220 VanDerWaalsContact CZ-CG1 3.47Å; Y216-I220 WeakPolarHBondContact O-CG1 3.44Å; Y216-I220 PolarHBondContact O-N 3.48Å; Y216-I220 VanDerWaalsContact O-N 3.14Å; Y216-I220 WeakPolarHBondContact OH-CD1 3.24Å
217L71.7Confident69.2Low16 Ų1650.4 Ų50.48%0.08425%0.249CC..Hα-helixtrans-63.2-39.1177.2-71.2170.1000112.2A112 I115 C116 I213 F214 Q219 I220 V221A112-L217 HydrophobicContact CB-CB 3.95Å; I115-L217 HydrophobicContact CB-CD1 4.02Å; I115-L217 HydrophobicContact CB-CD2 4.29Å; I115-L217 HydrophobicContact CG2-CD1 3.79Å; I115-L217 HydrophobicContact CG2-CD2 3.55Å; I115-L217 HydrophobicContact CG2-CG 4.32Å; C116-L217 HydrophobicContact CB-CD1 3.58Å; I213-L217 HydrophobicContact CG2-CD1 3.79Å; I213-L217 HydrophobicContact CG2-CG 4.31Å; I213-L217 VanDerWaalsContact O-CG 3.31Å; I213-L217 WeakPolarHBondContact O-CG 3.26Å; I213-L217 PolarHBondContact O-N 3.45Å; F214-L217 PolarHBondContact O-N 3.09Å; L217-Q219 VanDerWaalsContact C-N 3.29Å; L217-Q219 PolarHBondContact O-N 2.89Å; L217-I220 HydrophobicContact CD2-CD1 4.05Å; L217-I220 PolarHBondContact O-N 2.95Å; L217-V221 WeakPolarHBondContact O-CB 3.18Å; L217-V221 VanDerWaalsContact O-CG2 3.27Å; L217-V221 WeakPolarHBondContact O-CG2 3.25Å; L217-V221 PolarHBondContact O-N 3.4Å
218L68.6Low68.9Low0 Ų049.8 Ų49.80%025%0.245CC..Hα-helixtrans-57.7-42172.9-79.7177.3000112.1Y104 V109 A112 F214 M215 Y216 G222Y104-L218 HydrophobicContact CD2-CB 3.84Å; Y104-L218 HydrophobicContact CD2-CD1 4.29Å; Y104-L218 HydrophobicContact CD2-CD2 4.22Å; Y104-L218 HydrophobicContact CD2-CG 4.37Å; Y104-L218 WeakPolarHBondContact CE1-O 3.3Å; Y104-L218 HydrophobicContact CE2-CB 3.9Å; Y104-L218 HydrophobicContact CG-CB 4.45Å; Y104-L218 HydrophobicContact CG-CD2 4.37Å; V109-L218 HydrophobicContact CB-CD2 4.23Å; V109-L218 HydrophobicContact CG2-CD2 3.86Å; A112-L218 HydrophobicContact CB-CD2 3.74Å; A112-L218 HydrophobicContact CB-CG 4.04Å; F214-L218 HydrophobicContact CD1-CD1 3.92Å; F214-L218 HydrophobicContact CD1-CG 4.42Å; F214-L218 HydrophobicContact CE1-CD1 3.36Å; F214-L218 HydrophobicContact CE1-CG 3.96Å; F214-L218 HydrophobicContact CE2-CD2 4.42Å; F214-L218 HydrophobicContact CE2-CG 4.23Å; F214-L218 HydrophobicContact CZ-CD1 3.71Å; F214-L218 HydrophobicContact CZ-CD2 4.02Å; F214-L218 HydrophobicContact CZ-CG 3.86Å; F214-L218 WeakPolarHBondContact O-CG 3.2Å; F214-L218 PolarHBondContact O-N 3.45Å; M215-L218 PolarHBondContact O-N 3.29Å; M215-L218 HydrophobicContact SD-CD1 4.15Å; Y216-L218 VanDerWaalsContact C-N 3.33Å; Y216-L218 PolarHBondContact O-N 2.94Å; L218-G222 WeakPolarHBondContact O-CA 3.33Å; L218-G222 PolarHBondContact O-N 3.43Å
219Q69.8Low68.9Low47 Ų4752.2 Ų52.222%0.2226%0.257CS..Hα-helixtrans-62-47.9175.8-69.8174.614.700111.3Y104 M215 Y216 L217 F223Y104-Q219 WeakPolarHBondContact OH-CG 3.22Å; M215-Q219 WeakPolarHBondContact O-CG 3.28Å; M215-Q219 PolarHBondContact O-N 3.36Å; M215-Q219 VanDerWaalsContact O-N 3.15Å; Y216-Q219 WeakPolarHBondContact O-CB 3.35Å; Y216-Q219 PolarHBondContact O-N 3.08Å; Y216-Q219 VanDerWaalsContact O-N 3.17Å; L217-Q219 VanDerWaalsContact C-N 3.29Å; L217-Q219 PolarHBondContact O-N 2.89Å; Q219-F223 HydrophobicContact CB-CD2 4.41Å; Q219-F223 HydrophobicContact CB-CE2 4.38Å; Q219-F223 WeakPolarHBondContact O-CB 3.45Å; Q219-F223 WeakPolarHBondContact O-CD2 3.33Å; Q219-F223 WeakPolarHBondContact O-CG 3.19Å; Q219-F223 PolarHBondContact O-N 3.24Å
220I68Low68.5Low67 Ų6754.6 Ų54.634%0.34427%0.268SS..Hα-helixtrans-61.3-52.5178.8-55.7163.6000111.3Y216 L217 G222 F223 A224Y216-I220 HydrophobicContact CD1-CD1 4.07Å; Y216-I220 HydrophobicContact CD2-CD1 4.38Å; Y216-I220 HydrophobicContact CD2-CG1 4.26Å; Y216-I220 HydrophobicContact CE1-CD1 3.35Å; Y216-I220 HydrophobicContact CE1-CG1 4.2Å; Y216-I220 HydrophobicContact CE2-CD1 3.59Å; Y216-I220 HydrophobicContact CE2-CG1 3.45Å; Y216-I220 VanDerWaalsContact CE2-CG1 3.45Å; Y216-I220 VanDerWaalsContact CZ-CG1 3.47Å; Y216-I220 WeakPolarHBondContact O-CG1 3.44Å; Y216-I220 PolarHBondContact O-N 3.48Å; Y216-I220 VanDerWaalsContact O-N 3.14Å; Y216-I220 WeakPolarHBondContact OH-CD1 3.24Å; L217-I220 HydrophobicContact CD2-CD1 4.05Å; L217-I220 PolarHBondContact O-N 2.95Å; I220-G222 VanDerWaalsContact C-N 3.27Å; I220-G222 PolarHBondContact O-N 3.01Å; I220-F223 PolarHBondContact O-N 3.41Å; I220-A224 WeakPolarHBondContact O-CB 3.29Å; I220-A224 PolarHBondContact O-N 3.05Å
221V69.9Low68.1Low15 Ų1553.9 Ų53.99%0.09126%0.264CS..Hα-helixtrans-68.4-33.7-174.7179.30000110.2I111 A112 I115 L217 R225I111-V221 HydrophobicContact CB-CG1 4.16Å; I111-V221 HydrophobicContact CG2-CG1 4.03Å; I111-V221 HydrophobicContact CG2-CG2 4.14Å; A112-V221 HydrophobicContact CB-CG2 4.27Å; I115-V221 HydrophobicContact CD1-CG2 4.33Å; L217-V221 WeakPolarHBondContact O-CB 3.18Å; L217-V221 VanDerWaalsContact O-CG2 3.27Å; L217-V221 WeakPolarHBondContact O-CG2 3.25Å; L217-V221 PolarHBondContact O-N 3.4Å; V221-R225 WeakPolarHBondContact O-CB 3.22Å; V221-R225 VanDerWaalsContact O-CG 3.29Å; V221-R225 WeakPolarHBondContact O-CG 3.48Å; V221-R225 PolarHBondContact O-N 3.15Å
222G66.2Low67.8Low4 Ų456.3 Ų56.34%0.04127%0.274CS..Hα-helixtrans-63.1-53.2171.700000112.9Y104 L218 I220 A224 R225 E226Y104-G222 VanDerWaalsContact CD1-CA 3.43Å; L218-G222 WeakPolarHBondContact O-CA 3.33Å; L218-G222 PolarHBondContact O-N 3.43Å; I220-G222 VanDerWaalsContact C-N 3.27Å; I220-G222 PolarHBondContact O-N 3.01Å; G222-A224 PolarHBondContact O-N 3.07Å; G222-R225 PolarHBondContact O-N 3.25Å; G222-R225 VanDerWaalsContact O-N 3.08Å; G222-E226 PolarHBondContact O-N 2.88Å
223F68.2Low67.4Low141 Ų14157.4 Ų57.462%0.61828%0.282SS*.Hα-helixtrans-61.5-30.4176.7-79.9-60.8000113.2Q219 I220 R225Q219-F223 HydrophobicContact CB-CD2 4.41Å; Q219-F223 HydrophobicContact CB-CE2 4.38Å; Q219-F223 WeakPolarHBondContact O-CB 3.45Å; Q219-F223 WeakPolarHBondContact O-CD2 3.33Å; Q219-F223 WeakPolarHBondContact O-CG 3.19Å; Q219-F223 PolarHBondContact O-N 3.24Å; I220-F223 PolarHBondContact O-N 3.41Å; F223-R225 PolarHBondContact O-N 3.06Å
224A62.8Low66.9Low78 Ų7861.3 Ų61.365%0.64530%0.301SS*.THydrogen-bonded Turntrans-76.3-8.8177.900000113.8I220 G222I220-A224 WeakPolarHBondContact O-CB 3.29Å; I220-A224 PolarHBondContact O-N 3.05Å; G222-A224 PolarHBondContact O-N 3.07Å
225R59.7Low66.2Low101 Ų10164.3 Ų64.338%0.38132%0.317SS..THydrogen-bonded Turntrans-120.74.4-173.5-68.8-166.163.7166.74.3114.3E107 S108 V221 G222 F223E107-R225 IonicContact OE2-CZ 3.39Å; E107-R225 IonicContact OE2-NH1 3.19Å; E107-R225 PolarHBondContact OE2-NH1 3.15Å; E107-R225 IonicContact OE2-NH2 2.86Å; E107-R225 PolarHBondContact OE2-NH2 3.18Å; S108-R225 WeakPolarHBondContact OG-CD 3.16Å; V221-R225 WeakPolarHBondContact O-CB 3.22Å; V221-R225 VanDerWaalsContact O-CG 3.29Å; V221-R225 WeakPolarHBondContact O-CG 3.48Å; V221-R225 PolarHBondContact O-N 3.15Å; G222-R225 PolarHBondContact O-N 3.25Å; G222-R225 VanDerWaalsContact O-N 3.08Å; F223-R225 PolarHBondContact O-N 3.06Å
226E47.5Very low65.8Low206 Ų20666.6 Ų66.696%0.96333%0.328SS*.  trans-92.10162.1-68.2177.3-177.500109.5G222G222-E226 PolarHBondContact O-N 2.88Å

Retrieved 226 of 226 residues in 204.2 ms (Link to these results)