A0A087WXR3_HUMAN Loading...

Bifunctional apoptosis regulator

AlphaFold DB , UniProt , Accession A0A087WXR3, Species HUMAN (Homo sapiens, Human), Gene BFAR, Length 213 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
1M38Very low40.7Very low235 Ų235163.5 Ų163.5100%1.15883%0.826SS**  0105.20-90.4171.5-8700106.7
2E37.2Very low40.9Very low195 Ų195165.3 Ų165.391%0.91183%0.833SS**  trans56.6117.3149.1-59.5-177.7141.700121.8
3E36.1Very low41.1Very low181 Ų181165.4 Ų165.485%0.84684%0.838SS**  trans-32.5177.3150.9-91.7-165.5102.600118.9
4P60Low41.7Very low87 Ų87165.9 Ų165.957%0.56584%0.843SS**  cis-144.6-174.3-43.441.3-22.1000114.2
5Q35.1Very low41.9Very low190 Ų190167.6 Ų167.689%0.88885%0.846SS**  trans90.3121.4143.7-86.4175.1-19.100122.3
6K46.5Very low42.2Very low198 Ų198170.2 Ų170.286%0.86184%0.842SS**  trans-97.8129.3173.4176.4-172.5-173-177.20108.4
7S36.2Very low42.7Very low117 Ų117169.4 Ų169.482%0.81884%0.842SS**  trans-162.396.6155.559.60000113.7
8Y37.8Very low43.6Very low222 Ų222167.6 Ų167.687%0.87183%0.831SS**  trans11.8124.3135.3-128.8-130.1000121.8
9V40.7Very low44.2Very low92 Ų92164.8 Ų164.856%0.55883%0.827SS**  trans90.5120.2135.4-147.40000124.7
10N42.2Very low44.7Very low145 Ų145165.4 Ų165.478%0.77583%0.831SS**  trans32.1136.8145.3-52.2-16.9000123.7
11T38.4Very low45.3Very low137 Ų137166.8 Ų166.884%0.8483%0.832SS**  trans-149.299.4150.646.80000106.3
12M42.8Very low46.3Very low185 Ų185159.7 Ų159.791%0.91181%0.806SS**  53.4122.386.4-94.3-178.1163.900114.6
13D43Very low47.5Very low166 Ų166157.1 Ų157.189%0.88880%0.803SS**  trans-67.6159.3-164.4-65.7-68000115.6
14L49.5Very low49Very low173 Ų173150.4 Ų150.491%0.90678%0.782SS**  trans-69.9111.1-174.4-64.2155.5000113.1
15E45.4Very low49.5Very low191 Ų191152.5 Ų152.589%0.89380%0.796SS**  trans-141.498.4152.4-84.7-180157.300108.6
16R46.9Very low51.7Low209 Ų209150.6 Ų150.679%0.78979%0.787SS**  trans-97.497.1172-170.2175.671.7-135.3-4.2107.3E18R16-E18 IonicContact NE-OE1 3.6Å; R16-E18 PolarHBondContact NE-OE1 3.18Å; R16-E18 IonicContact NH2-OE1 3.9Å; R16-E18 PolarHBondContact O-N 3.38Å
17D50.3Low53.7Low157 Ų157145 Ų14584%0.8477%0.766SS**  trans-6299.8167.7-82.8-33.6000109.4
18E58Low56.4Low136 Ų136141.7 Ų141.764%0.63674%0.743SS**  trans-70.1120.4162.3-74.8-7514500107.9R16 L20R16-E18 IonicContact NE-OE1 3.6Å; R16-E18 PolarHBondContact NE-OE1 3.18Å; R16-E18 IonicContact NH2-OE1 3.9Å; R16-E18 PolarHBondContact O-N 3.38Å; E18-L20 PolarHBondContact O-N 3.01Å
19P56.7Low58.9Low116 Ų116133.9 Ų133.975%0.75372%0.718SS**  trans-65.8122.8-179.424.6-29.9000109.7K21P19-K21 PolarHBondContact O-N 3Å
20L54.1Low61.3Low176 Ų176133.3 Ų133.392%0.92172%0.718SS**  trans-47.8111.1174.9-123.988.2000109.7E18 S22E18-L20 PolarHBondContact O-N 3.01Å; L20-S22 PolarHBondContact O-N 3.03Å
21K55.8Low63.8Low195 Ų195132.1 Ų132.185%0.84871%0.708SS**  trans-66.4101.8176.7-156.7172.4-171-179.80107.9P19 T23P19-K21 PolarHBondContact O-N 3Å; K21-T23 PolarHBondContact O-N 2.96Å
22S60.2Low66.6Low86 Ų86127.3 Ų127.360%0.60168%0.676SS**  trans-64.1108.6-17870.20000110L20 G24L20-S22 PolarHBondContact O-N 3.03Å; S22-G24 PolarHBondContact O-N 3.12Å; S22-G24 VanDerWaalsContact O-N 3.12Å
23T61.4Low69.2Low140 Ų140120.6 Ų120.686%0.85965%0.646SS**  trans-84.242176.753.50000111.8K21K21-T23 PolarHBondContact O-N 2.96Å
24G67.6Low71.8Confident40 Ų40112.7 Ų112.741%0.41260%0.604SS.*SBendtrans-77.8156.716800000110.4S22 Q26S22-G24 PolarHBondContact O-N 3.12Å; S22-G24 VanDerWaalsContact O-N 3.12Å; G24-Q26 PolarHBondContact O-N 3.39Å
25P70.3Confident74Confident132 Ų132109.2 Ų109.286%0.85758%0.583SS**  trans-53.6115.4167.4-20.231.2000109I27P25-I27 PolarHBondContact O-N 3.03Å
26Q82.3Confident76.5Confident150 Ų150102.5 Ų102.570%0.70156%0.557SS**  trans-81.4111.5177.5-62.7-72.433.100107.7G24 S28G24-Q26 PolarHBondContact O-N 3.39Å; Q26-S28 PolarHBondContact O-N 3.37Å
27I88.3Confident78.9Confident81 Ų8194.3 Ų94.342%0.41553%0.531SS..  trans-64.8126.4177.4-58.1174.1000108.6P25 F32 L94 F95P25-I27 PolarHBondContact O-N 3.03Å; I27-F32 HydrophobicContact CG2-CD2 4.41Å; I27-F32 HydrophobicContact CG2-CE2 3.53Å; I27-F32 HydrophobicContact CG2-CZ 4.25Å; I27-L94 HydrophobicContact CD1-CD1 4.41Å; I27-F95 HydrophobicContact CG2-CE2 4.42Å; I27-F95 HydrophobicContact CG2-CZ 4.11Å; I27-F95 WeakPolarHBondContact O-CZ 3.38Å
28S91.9Very high81.1Confident46 Ų4696 Ų9632%0.32253%0.527SS..  trans-97.4153.8-178.765.40000112.5Q26 S30 E31Q26-S28 PolarHBondContact O-N 3.37Å; S28-S30 PolarHBondContact O-N 3.15Å; S28-S30 PolarHBondContact OG-OG 2.91Å; S28-E31 PolarHBondContact N-OE1 3.35Å; S28-E31 WeakPolarHBondContact O-CB 3.21Å; S28-E31 PolarHBondContact O-N 3.28Å; S28-E31 VanDerWaalsContact O-N 3.13Å; S28-E31 PolarHBondContact OG-OE1 3.38Å
29V91.2Very high83Confident59 Ų5992.3 Ų92.336%0.35851%0.512SS..G310 helixtrans-55.7-35.9176.5172.60000112.2E31 F32 I40 F95V29-E31 PolarHBondContact O-N 2.95Å; V29-F32 PolarHBondContact O-N 3.04Å; V29-I40 HydrophobicContact CG1-CB 4.05Å; V29-I40 HydrophobicContact CG1-CD1 4Å; V29-I40 HydrophobicContact CG1-CG1 4.21Å; V29-F95 HydrophobicContact CB-CE1 4.49Å; V29-F95 HydrophobicContact CG2-CD1 3.37Å; V29-F95 HydrophobicContact CG2-CE1 3.61Å; V29-F95 HydrophobicContact CG2-CG 3.91Å; V29-F95 HydrophobicContact CG2-CZ 4.34Å
30S92.1Very high84.9Confident80 Ų8086.9 Ų86.956%0.55948%0.476SS*.G310 helixtrans-62.5-24.5-179.2410000114S28 F32 S33S28-S30 PolarHBondContact O-N 3.15Å; S28-S30 PolarHBondContact OG-OG 2.91Å; S30-F32 PolarHBondContact O-N 3.32Å; S30-S33 WeakPolarHBondContact O-CB 3.47Å; S30-S33 PolarHBondContact O-N 2.96Å; S30-S33 PolarHBondContact O-OG 2.85Å
31E93.8Very high87Confident120 Ų12079 Ų7956%0.56144%0.435SS*.G310 helixtrans-66.1-20.7175.9-68.4173.1-127.800112.5S28 V29S28-E31 PolarHBondContact N-OE1 3.35Å; S28-E31 WeakPolarHBondContact O-CB 3.21Å; S28-E31 PolarHBondContact O-N 3.28Å; S28-E31 VanDerWaalsContact O-N 3.13Å; S28-E31 PolarHBondContact OG-OE1 3.38Å; V29-E31 PolarHBondContact O-N 2.95Å
32F96.7Very high89.1Confident36 Ų3669.9 Ų69.916%0.15840%0.396CS..G310 helixtrans-111.529.2177.3-59.6-74.3000112.4I27 V29 S30 I40 L41 L87 I91 L94 F95I27-F32 HydrophobicContact CG2-CD2 4.41Å; I27-F32 HydrophobicContact CG2-CE2 3.53Å; I27-F32 HydrophobicContact CG2-CZ 4.25Å; V29-F32 PolarHBondContact O-N 3.04Å; S30-F32 PolarHBondContact O-N 3.32Å; F32-I40 HydrophobicContact CB-CG1 4.49Å; F32-L41 WeakPolarHBondContact O-CB 3.39Å; F32-L41 VanDerWaalsContact O-CG 3.25Å; F32-L41 WeakPolarHBondContact O-CG 3.28Å; F32-L41 PolarHBondContact O-N 2.88Å; F32-L87 HydrophobicContact CD1-CD1 3.97Å; F32-L87 HydrophobicContact CE1-CD1 3.86Å; F32-I91 HydrophobicContact CB-CD1 3.97Å; F32-I91 HydrophobicContact CB-CG1 3.98Å; F32-I91 HydrophobicContact CD1-CD1 3.8Å; F32-I91 HydrophobicContact CD1-CG1 3.55Å; F32-I91 HydrophobicContact CD2-CG1 4.35Å; F32-I91 HydrophobicContact CE1-CG1 4.06Å; F32-I91 HydrophobicContact CG-CD1 4.09Å; F32-I91 HydrophobicContact CG-CG1 3.7Å; F32-L94 HydrophobicContact CE2-CD1 3.95Å; F32-L94 HydrophobicContact CZ-CD1 4.08Å; F32-F95 HydrophobicContact CD2-CD2 4.16Å; F32-F95 AromaticContact CD2-CE2 3.48Å; F32-F95 HydrophobicContact CD2-CE2 3.48Å; F32-F95 VanDerWaalsContact CD2-CE2 3.48Å; F32-F95 HydrophobicContact CD2-CZ 4.4Å; F32-F95 AromaticContact CE2-CE2 3.63Å; F32-F95 HydrophobicContact CE2-CE2 3.63Å; F32-F95 HydrophobicContact CE2-CZ 4.45Å
33S97.4Very high90.9Very high43 Ų4368.1 Ų68.130%0.30138%0.379SS..BIsolated β-bridgetrans-79.6141.6177.760.40000112.4S30 D39S30-S33 WeakPolarHBondContact O-CB 3.47Å; S30-S33 PolarHBondContact O-N 2.96Å; S30-S33 PolarHBondContact O-OG 2.85Å; S33-D39 CarbonylContact C-O 3.54Å; S33-D39 WeakPolarHBondContact CA-O 3.39Å
34C98.3Very high92.6Very high0 Ų061.5 Ų61.50%034%0.339CS..  trans-82.3127.9175.5178.60000110.1C36 C37 Y38 D39 L41 C54C34-C36 PolarHBondContact O-N 2.88Å; C34-C36 VanDerWaalsContact O-N 3.15Å; C34-C37 PolarHBondContact O-N 3.27Å; C34-Y38 WeakPolarHBondContact O-CA 3.39Å; C34-Y38 PolarHBondContact O-N 3.23Å; C34-D39 WeakPolarHBondContact CB-O 3.43Å; C34-D39 PolarHBondContact N-O 3.47Å; C34-L41 HydrophobicContact CB-CD2 3.72Å; C34-L41 HydrophobicContact CB-CG 4.23Å; C34-C54 VanDerWaalsContact CB-SG 3.53Å; C34-C54 PolarHBondContact SG-N 3.07Å; C34-C54 VanDerWaalsContact SG-N 3.38Å
35H96.2Very high94.1Very high101 Ų10159.6 Ų59.647%0.46832%0.319SS..THydrogen-bonded Turntrans-68.9-13.4-179.5-68.876.3000114.1F53 E72H35-F53 HydrophobicContact CB-CE1 4.2Å; H35-E72 WeakPolarHBondContact CB-OE2 3.36Å; H35-E72 IonicContact CG-OE2 2.88Å
36C97.1Very high95.4Very high49 Ų4955.7 Ų55.733%0.33129%0.293SS..THydrogen-bonded Turntrans-85.5-41.3175.5-67.10000113.6C34 F53 C57C34-C36 PolarHBondContact O-N 2.88Å; C34-C36 VanDerWaalsContact O-N 3.15Å; C36-F53 HydrophobicContact CB-CD1 4.45Å; C36-F53 WeakPolarHBondContact SG-CD1 3.19Å; C36-C57 HydrophobicContact CB-CB 3.62Å
37C96.9Very high96.2Very high38 Ų3848.9 Ų48.926%0.25726%0.262SS..THydrogen-bonded Turntrans-115.6-1.5-174.767.80000114.1C34 D39 R102C34-C37 PolarHBondContact O-N 3.27Å; C37-D39 PolarHBondContact O-N 3.21Å; C37-R102 PolarHBondContact SG-NH2 3.13Å
38Y96.7Very high96.6Very high193 Ų19348.6 Ų48.676%0.75726%0.261SS*.SBendtrans55.827.7178.2-54.3-77.2000114.6C34C34-Y38 WeakPolarHBondContact O-CA 3.39Å; C34-Y38 PolarHBondContact O-N 3.23Å
39D97.5Very high96.9Very high57 Ų5747.8 Ų47.831%0.30526%0.255SS..SBendtrans-130.3169.2179.9-152.2-28.3000110S33 C34 C37 L41 R102S33-D39 CarbonylContact C-O 3.54Å; S33-D39 WeakPolarHBondContact CA-O 3.39Å; C34-D39 WeakPolarHBondContact CB-O 3.43Å; C34-D39 PolarHBondContact N-O 3.47Å; C37-D39 PolarHBondContact O-N 3.21Å; D39-L41 PolarHBondContact O-N 2.76Å; D39-R102 WeakPolarHBondContact OD2-CD 3.36Å; D39-R102 IonicContact OD2-CZ 3.19Å; D39-R102 IonicContact OD2-NE 2.9Å; D39-R102 PolarHBondContact OD2-NE 3.23Å; D39-R102 IonicContact OD2-NH1 2.8Å; D39-R102 PolarHBondContact OD2-NH1 3.18Å; D39-R102 IonicContact OD2-NH2 3.72Å; D39-R102 PolarHBondContact OD2-NH2 3.37Å
40I98Very high97.2Very high2 Ų247.4 Ų47.41%0.0126%0.263CS..BIsolated β-bridgetrans-52.9136.6-177.8-164.1173.6000111.9V29 F32 V42 I91 F95 A98 I99 R102V29-I40 HydrophobicContact CG1-CB 4.05Å; V29-I40 HydrophobicContact CG1-CD1 4Å; V29-I40 HydrophobicContact CG1-CG1 4.21Å; F32-I40 HydrophobicContact CB-CG1 4.49Å; I40-V42 PolarHBondContact O-N 2.81Å; I40-I91 HydrophobicContact CD1-CG2 3.7Å; I40-I91 HydrophobicContact CG1-CG2 3.84Å; I40-F95 HydrophobicContact CD1-CB 3.71Å; I40-F95 HydrophobicContact CD1-CD2 4.2Å; I40-F95 HydrophobicContact CD1-CG 4.18Å; I40-A98 HydrophobicContact CD1-CB 3.93Å; I40-I99 HydrophobicContact CD1-CD1 3.78Å; I40-I99 HydrophobicContact CD1-CG1 3.87Å; I40-I99 HydrophobicContact CG1-CD1 3.91Å; I40-I99 HydrophobicContact CG2-CD1 4.03Å; I40-R102 HydrophobicContact CG2-CB 3.99Å; I40-R102 HydrophobicContact CG2-CG 4.03Å
41L98.5Very high97.5Very high10 Ų1046.7 Ų46.75%0.05225%0.251CS..  trans-64.4116.2-177.9-80163.7000111.5F32 C34 D39 P44 I91 I99F32-L41 WeakPolarHBondContact O-CB 3.39Å; F32-L41 VanDerWaalsContact O-CG 3.25Å; F32-L41 WeakPolarHBondContact O-CG 3.28Å; F32-L41 PolarHBondContact O-N 2.88Å; C34-L41 HydrophobicContact CB-CD2 3.72Å; C34-L41 HydrophobicContact CB-CG 4.23Å; D39-L41 PolarHBondContact O-N 2.76Å; L41-P44 HydrophobicContact CB-CB 4.18Å; L41-P44 HydrophobicContact CD1-CB 4.34Å; L41-P44 HydrophobicContact CD2-CB 4.34Å; L41-I91 HydrophobicContact CB-CD1 3.83Å; L41-I91 HydrophobicContact CD1-CD1 4.33Å; L41-I99 WeakPolarHBondContact O-CD1 3.47Å
42V98.2Very high97.7Very high4 Ų442.3 Ų42.32%0.02423%0.233CC..SBendtrans-104.7122.8171.7174.30000110I40 C54 R55 I99 R102 F103 I106I40-V42 PolarHBondContact O-N 2.81Å; V42-C54 PolarHBondContact N-SG 3.46Å; V42-C54 VanDerWaalsContact N-SG 3.36Å; V42-C54 WeakPolarHBondContact O-CA 3.39Å; V42-C54 WeakPolarHBondContact O-CB 3.25Å; V42-R55 PolarHBondContact O-N 3.38Å; V42-I99 HydrophobicContact CG2-CD1 4.08Å; V42-R102 HydrophobicContact CG2-CB 3.94Å; V42-R102 HydrophobicContact CG2-CG 3.51Å; V42-F103 HydrophobicContact CG1-CD1 3.63Å; V42-F103 HydrophobicContact CG1-CD2 4.36Å; V42-F103 HydrophobicContact CG1-CE1 3.24Å; V42-F103 HydrophobicContact CG1-CE2 4.03Å; V42-F103 HydrophobicContact CG1-CG 4.18Å; V42-F103 HydrophobicContact CG1-CZ 3.47Å; V42-F103 VanDerWaalsContact CG1-CZ 3.47Å; V42-I106 HydrophobicContact CB-CD1 3.7Å; V42-I106 HydrophobicContact CG1-CD1 3.72Å; V42-I106 HydrophobicContact CG2-CD1 3.76Å
43N98.3Very high97.8Very high49 Ų4940.6 Ų40.626%0.26223%0.226SC..SBendtrans48.561.6-171.7-70.7-56.2000111.6T45 R55 V83 R88N43-T45 PolarHBondContact O-N 3.05Å; N43-T45 PolarHBondContact O-OG1 3.16Å; N43-R55 HydrophobicContact CB-CB 3.88Å; N43-R55 WeakPolarHBondContact O-CB 3.45Å; N43-R55 PolarHBondContact O-N 3.02Å; N43-R55 VanDerWaalsContact O-N 3.15Å; N43-V83 HydrophobicContact CB-CG1 4.26Å; N43-V83 HydrophobicContact CB-CG2 4.15Å; N43-R88 WeakPolarHBondContact OD1-CD 3.48Å
44P98.4Very high97.8Very high1 Ų138.6 Ų38.61%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-54.1126.1-176.422.7-35000111.2L41 F53 V83 S84 L87 R88 I91L41-P44 HydrophobicContact CB-CB 4.18Å; L41-P44 HydrophobicContact CD1-CB 4.34Å; L41-P44 HydrophobicContact CD2-CB 4.34Å; P44-F53 CarbonylContact C-O 3.55Å; P44-F53 WeakPolarHBondContact CA-O 3.43Å; P44-V83 CarbonylContact O-C 3.57Å; P44-V83 WeakPolarHBondContact O-CA 3.24Å; P44-V83 WeakPolarHBondContact O-CG1 3.45Å; P44-S84 PolarHBondContact O-N 3.35Å; P44-L87 HydrophobicContact CB-CB 4.49Å; P44-L87 HydrophobicContact CB-CD2 3.72Å; P44-L87 HydrophobicContact CB-CG 4.01Å; P44-L87 HydrophobicContact CG-CB 3.96Å; P44-L87 HydrophobicContact CG-CD2 4.06Å; P44-L87 HydrophobicContact CG-CG 3.78Å; P44-R88 HydrophobicContact CG-CB 4Å; P44-I91 HydrophobicContact CG-CD1 4.25Å
45T98.3Very high97.8Very high0 Ų040.2 Ų40.20%022%0.218CC..EExtended strand (participates in β ladder)trans-114.8110.1178.8-61.50000107.6N43 S52 F53 R55 L58 P81N43-T45 PolarHBondContact O-N 3.05Å; N43-T45 PolarHBondContact O-OG1 3.16Å; T45-S52 WeakPolarHBondContact O-CA 3.38Å; T45-F53 PolarHBondContact N-O 3.37Å; T45-F53 PolarHBondContact O-N 3.19Å; T45-F53 VanDerWaalsContact O-N 3.12Å; T45-R55 WeakPolarHBondContact OG1-CD 3.46Å; T45-L58 HydrophobicContact CG2-CD2 3.66Å; T45-P81 HydrophobicContact CG2-CB 3.66Å; T45-P81 HydrophobicContact CG2-CG 4.2Å
46T97.8Very high97.9Very high50 Ų5035.8 Ų35.831%0.30720%0.197SC..EExtended strand (participates in β ladder)trans-92.5126.4-178.1-510000109.3H51 S52T46-H51 WeakPolarHBondContact CA-O 3.47Å; T46-S52 WeakPolarHBondContact CB-OG 3.47Å; T46-S52 WeakPolarHBondContact CG2-OG 3.4Å; T46-S52 PolarHBondContact OG1-OG 3.07Å
47L98Very high98Very high8 Ų833.9 Ų33.94%0.04218%0.184CC..  trans-83.4164.8177-55.8-178.4000110.7C49 G50 H51 F53 L58 C70 W77 P81L47-C49 PolarHBondContact O-N 2.91Å; L47-G50 PolarHBondContact O-N 2.85Å; L47-H51 PolarHBondContact N-O 3.03Å; L47-F53 HydrophobicContact CD1-CD2 4.29Å; L47-F53 HydrophobicContact CD1-CE2 3.91Å; L47-F53 HydrophobicContact CG-CE2 4.46Å; L47-L58 HydrophobicContact CD1-CD1 4.48Å; L47-L58 HydrophobicContact CD2-CD1 4.4Å; L47-L58 HydrophobicContact CD2-CD2 3.91Å; L47-C70 HydrophobicContact CD1-CB 3.74Å; L47-W77 HydrophobicContact CD1-CE3 3.72Å; L47-W77 HydrophobicContact CD1-CZ3 4.35Å; L47-W77 HydrophobicContact CD2-CB 4.05Å; L47-W77 HydrophobicContact CD2-CD2 4.11Å; L47-W77 HydrophobicContact CD2-CE3 3.9Å; L47-W77 HydrophobicContact CD2-CG 4.21Å; L47-W77 HydrophobicContact CG-CE3 4.47Å; L47-P81 HydrophobicContact CD2-CB 3.67Å; L47-P81 HydrophobicContact CD2-CG 4.07Å
48N97.5Very high98Very high75 Ų7532.1 Ų32.140%0.40117%0.172SC..THydrogen-bonded Turntrans-54-30.1172.859.2-44.7000113.1G50 K76 W77N48-G50 PolarHBondContact O-N 3.29Å; N48-K76 PolarHBondContact ND2-O 3.5Å; N48-K76 VanDerWaalsContact ND2-O 3.13Å; N48-W77 WeakPolarHBondContact OD1-CA 3.29Å; N48-W77 WeakPolarHBondContact OD1-CB 3.26Å
49C97.8Very high98.1Very high29 Ų2922.9 Ų22.920%0.19614%0.136CC..THydrogen-bonded Turntrans-76.10.2174.967.90000114.5L47 H51 C70 E75L47-C49 PolarHBondContact O-N 2.91Å; C49-H51 VanDerWaalsContact C-N 3.35Å; C49-H51 PolarHBondContact O-N 3.48Å; C49-H51 PolarHBondContact SG-ND1 3.44Å; C49-C70 VanDerWaalsContact SG-SG 3.69Å; C49-E75 HydrophobicContact CB-CB 4.01Å; C49-E75 HydrophobicContact CB-CG 4.22Å; C49-E75 WeakPolarHBondContact CB-OE2 3.48Å
50G97.1Very high98.1Very high51 Ų5123.4 Ų23.453%0.52614%0.138SC..SBendtrans87.9-15.3177.900000115.7L47 N48L47-G50 PolarHBondContact O-N 2.85Å; N48-G50 PolarHBondContact O-N 3.29Å
51H98.2Very high98.1Very high65 Ų6526.2 Ų26.230%0.30115%0.149SC..  trans-70.5139.5176.8-65.4101.9000111.8T46 L47 C49 F53T46-H51 WeakPolarHBondContact CA-O 3.47Å; L47-H51 PolarHBondContact N-O 3.03Å; C49-H51 VanDerWaalsContact C-N 3.35Å; C49-H51 PolarHBondContact O-N 3.48Å; C49-H51 PolarHBondContact SG-ND1 3.44Å; H51-F53 HydrophobicContact CB-CE2 3.57Å; H51-F53 HydrophobicContact CB-CZ 3.74Å
52S98.3Very high98Very high27 Ų2727.3 Ų27.319%0.18915%0.152CC..EExtended strand (participates in β ladder)trans-118.6132.9-178.5-61.60000111.4T45 T46T45-S52 WeakPolarHBondContact O-CA 3.38Å; T46-S52 WeakPolarHBondContact CB-OG 3.47Å; T46-S52 WeakPolarHBondContact CG2-OG 3.4Å; T46-S52 PolarHBondContact OG1-OG 3.07Å
53F98.6Very high97.9Very high1 Ų128.7 Ų28.70%0.00416%0.164CC..EExtended strand (participates in β ladder)trans-133.1160.7-179.8-53.2-84.6000110.5H35 C36 P44 T45 L47 H51 P71 E72H35-F53 HydrophobicContact CB-CE1 4.2Å; C36-F53 HydrophobicContact CB-CD1 4.45Å; C36-F53 WeakPolarHBondContact SG-CD1 3.19Å; P44-F53 CarbonylContact C-O 3.55Å; P44-F53 WeakPolarHBondContact CA-O 3.43Å; T45-F53 PolarHBondContact N-O 3.37Å; T45-F53 PolarHBondContact O-N 3.19Å; T45-F53 VanDerWaalsContact O-N 3.12Å; L47-F53 HydrophobicContact CD1-CD2 4.29Å; L47-F53 HydrophobicContact CD1-CE2 3.91Å; L47-F53 HydrophobicContact CG-CE2 4.46Å; H51-F53 HydrophobicContact CB-CE2 3.57Å; H51-F53 HydrophobicContact CB-CZ 3.74Å; F53-P71 HydrophobicContact CD1-CG 4.38Å; F53-P71 HydrophobicContact CD2-CG 4.41Å; F53-P71 HydrophobicContact CE1-CB 4.06Å; F53-P71 HydrophobicContact CE1-CG 4.12Å; F53-P71 HydrophobicContact CE2-CG 4.18Å; F53-P71 HydrophobicContact CZ-CB 4.11Å; F53-P71 HydrophobicContact CZ-CG 4.02Å; F53-E72 HydrophobicContact CE1-CB 4.46Å; F53-E72 HydrophobicContact CZ-CB 3.93Å
54C98.6Very high97.8Very high0 Ų030.8 Ų30.80%018%0.183CC..EExtended strand (participates in β ladder)trans-59.8143.4167.7-56.80000109.8C34 V42 H56 C57 L58C34-C54 VanDerWaalsContact CB-SG 3.53Å; C34-C54 PolarHBondContact SG-N 3.07Å; C34-C54 VanDerWaalsContact SG-N 3.38Å; V42-C54 PolarHBondContact N-SG 3.46Å; V42-C54 VanDerWaalsContact N-SG 3.36Å; V42-C54 WeakPolarHBondContact O-CA 3.39Å; V42-C54 WeakPolarHBondContact O-CB 3.25Å; C54-H56 WeakPolarHBondContact CB-CE1 3.28Å; C54-H56 WeakPolarHBondContact CB-ND1 3.41Å; C54-H56 PolarHBondContact O-N 3.04Å; C54-H56 VanDerWaalsContact O-N 3.17Å; C54-C57 HydrophobicContact CB-CB 4.11Å; C54-C57 WeakPolarHBondContact O-CB 3.17Å; C54-C57 PolarHBondContact O-N 3.1Å; C54-L58 PolarHBondContact O-N 2.77Å; C54-L58 VanDerWaalsContact O-N 3.08Å
55R98.2Very high97.6Very high35 Ų3532.3 Ų32.313%0.13219%0.193CC..Hα-helixtrans-55.4-37.6177.3-175.758.3173.5-97.1-7.9112.5V42 N43 T45 A59 L116V42-R55 PolarHBondContact O-N 3.38Å; N43-R55 HydrophobicContact CB-CB 3.88Å; N43-R55 WeakPolarHBondContact O-CB 3.45Å; N43-R55 PolarHBondContact O-N 3.02Å; N43-R55 VanDerWaalsContact O-N 3.15Å; T45-R55 WeakPolarHBondContact OG1-CD 3.46Å; R55-A59 PolarHBondContact O-N 3.4Å; R55-A59 VanDerWaalsContact O-N 3.1Å; R55-L116 HydrophobicContact CB-CD2 4.34Å; R55-L116 HydrophobicContact CG-CD2 3.8Å
56H98.3Very high97.3Very high8 Ų839.2 Ų39.24%0.03722%0.223CC..Hα-helixtrans-71.5-37.3177.563.5-92.5000113.2C54 L58 A59 L60 I106 I112 L116C54-H56 WeakPolarHBondContact CB-CE1 3.28Å; C54-H56 WeakPolarHBondContact CB-ND1 3.41Å; C54-H56 PolarHBondContact O-N 3.04Å; C54-H56 VanDerWaalsContact O-N 3.17Å; H56-L58 VanDerWaalsContact C-N 3.3Å; H56-L58 PolarHBondContact O-N 3.22Å; H56-A59 WeakPolarHBondContact O-CB 3.47Å; H56-A59 PolarHBondContact O-N 3.18Å; H56-L60 WeakPolarHBondContact O-CG 3.43Å; H56-L60 PolarHBondContact O-N 2.75Å; H56-I106 WeakPolarHBondContact CE1-CD1 3.2Å; H56-I112 HydrophobicContact CB-CG2 3.53Å; H56-L116 HydrophobicContact CB-CD1 3.93Å; H56-L116 HydrophobicContact CB-CD2 3.95Å; H56-L116 HydrophobicContact CB-CG 3.88Å
57C98.4Very high97.1Very high9 Ų941.9 Ų41.96%0.06123%0.23CC..Hα-helixtrans-62.4-41.6175.8-68.80000111.1C36 C54 A59 L60 W61C36-C57 HydrophobicContact CB-CB 3.62Å; C54-C57 HydrophobicContact CB-CB 4.11Å; C54-C57 WeakPolarHBondContact O-CB 3.17Å; C54-C57 PolarHBondContact O-N 3.1Å; C57-A59 VanDerWaalsContact C-N 3.35Å; C57-L60 PolarHBondContact O-N 2.83Å; C57-W61 WeakPolarHBondContact O-CB 3.4Å; C57-W61 PolarHBondContact O-N 3.47Å
58L97.9Very high97Very high0 Ų043.4 Ų43.40%024%0.24CC..Hα-helixtrans-65.7-39.6176.1-164.565.3000111.8T45 L47 C54 H56 W61 W62 P71 W77 P81 F119T45-L58 HydrophobicContact CG2-CD2 3.66Å; L47-L58 HydrophobicContact CD1-CD1 4.48Å; L47-L58 HydrophobicContact CD2-CD1 4.4Å; L47-L58 HydrophobicContact CD2-CD2 3.91Å; C54-L58 PolarHBondContact O-N 2.77Å; C54-L58 VanDerWaalsContact O-N 3.08Å; H56-L58 VanDerWaalsContact C-N 3.3Å; H56-L58 PolarHBondContact O-N 3.22Å; L58-W61 PolarHBondContact O-N 2.99Å; L58-W62 WeakPolarHBondContact O-CB 3.44Å; L58-W62 PolarHBondContact O-N 3.49Å; L58-P71 HydrophobicContact CD1-CG 4.28Å; L58-W77 HydrophobicContact CD1-CE3 4.17Å; L58-W77 HydrophobicContact CD1-CH2 3.67Å; L58-W77 HydrophobicContact CD1-CZ3 3.39Å; L58-W77 HydrophobicContact CG-CH2 4.09Å; L58-W77 HydrophobicContact CG-CZ3 4.25Å; L58-P81 HydrophobicContact CD2-CB 4.21Å; L58-P81 HydrophobicContact CD2-CG 3.55Å; L58-F119 HydrophobicContact CD2-CE1 4.28Å; L58-F119 HydrophobicContact CD2-CZ 4Å; L58-F119 HydrophobicContact CG-CE1 4.48Å; L58-F119 HydrophobicContact CG-CZ 4.11Å
59A98Very high97Very high0 Ų041.6 Ų41.60%023%0.23CC..Hα-helixtrans-61.4-45.3174.500000112.3R55 H56 C57 W62 A63 S115 L116 F119R55-A59 PolarHBondContact O-N 3.4Å; R55-A59 VanDerWaalsContact O-N 3.1Å; H56-A59 WeakPolarHBondContact O-CB 3.47Å; H56-A59 PolarHBondContact O-N 3.18Å; C57-A59 VanDerWaalsContact C-N 3.35Å; A59-W62 PolarHBondContact O-N 3.09Å; A59-A63 VanDerWaalsContact O-CB 3.23Å; A59-A63 WeakPolarHBondContact O-CB 3.49Å; A59-A63 PolarHBondContact O-N 3.43Å; A59-S115 PolarHBondContact O-OG 3.01Å; A59-L116 HydrophobicContact CB-CD2 4.1Å; A59-L116 HydrophobicContact CB-CG 4.46Å; A59-F119 HydrophobicContact CB-CB 3.54Å; A59-F119 HydrophobicContact CB-CD1 3.86Å; A59-F119 HydrophobicContact CB-CG 3.77Å
60L97.9Very high97Very high68 Ų6840.2 Ų40.236%0.35622%0.22SC..Hα-helixtrans-64.5-42.7176.8-74.1171.8000112.1H56 C57 A63 S64 I112 S115H56-L60 WeakPolarHBondContact O-CG 3.43Å; H56-L60 PolarHBondContact O-N 2.75Å; C57-L60 PolarHBondContact O-N 2.83Å; L60-A63 PolarHBondContact O-N 3.35Å; L60-S64 PolarHBondContact O-N 3.46Å; L60-S64 PolarHBondContact O-OG 2.92Å; L60-I112 HydrophobicContact CD1-CG1 4.09Å; L60-S115 WeakPolarHBondContact CA-OG 3.28Å; L60-S115 PolarHBondContact N-OG 3.45Å
61W97.3Very high97.1Very high61 Ų6138.7 Ų38.723%0.23120%0.201CC..Hα-helixtrans-59.8-48.2175171.5-106000111.6C57 L58 A63 S64 S65 E69 P71C57-W61 WeakPolarHBondContact O-CB 3.4Å; C57-W61 PolarHBondContact O-N 3.47Å; L58-W61 PolarHBondContact O-N 2.99Å; W61-A63 VanDerWaalsContact C-N 3.34Å; W61-A63 PolarHBondContact O-N 3.3Å; W61-S64 PolarHBondContact O-N 3.26Å; W61-S64 PolarHBondContact O-OG 3.08Å; W61-S64 VanDerWaalsContact O-OG 3.06Å; W61-S65 WeakPolarHBondContact O-CB 3.48Å; W61-S65 PolarHBondContact O-N 3.36Å; W61-S65 PolarHBondContact O-OG 3.37Å; W61-E69 PolarHBondContact NE1-O 2.75Å; W61-P71 HydrophobicContact CB-CG 4.21Å; W61-P71 HydrophobicContact CD2-CB 4.24Å; W61-P71 HydrophobicContact CD2-CG 4.14Å; W61-P71 HydrophobicContact CG-CB 4.36Å; W61-P71 HydrophobicContact CG-CG 3.75Å
62W97Very high97Very high33 Ų3340.3 Ų40.313%0.12521%0.209CC..Hα-helixtrans-63.7-40.3175.7173.984000111.7L58 A59 S64 K66 W77 A118 F119 Y122L58-W62 WeakPolarHBondContact O-CB 3.44Å; L58-W62 PolarHBondContact O-N 3.49Å; A59-W62 PolarHBondContact O-N 3.09Å; W62-S64 VanDerWaalsContact C-N 3.33Å; W62-S64 PolarHBondContact O-N 3.19Å; W62-K66 VanDerWaalsContact O-CA 3.23Å; W62-K66 WeakPolarHBondContact O-CA 3.2Å; W62-K66 PolarHBondContact O-N 3.38Å; W62-W77 HydrophobicContact CB-CH2 4.49Å; W62-A118 HydrophobicContact CZ3-CB 4.4Å; W62-F119 HydrophobicContact CB-CD2 3.92Å; W62-F119 HydrophobicContact CB-CE2 3.87Å; W62-F119 AromaticContact CD2-CD2 3.71Å; W62-F119 HydrophobicContact CD2-CD2 3.71Å; W62-F119 HydrophobicContact CD2-CE2 4.23Å; W62-F119 HydrophobicContact CE3-CB 4.3Å; W62-F119 AromaticContact CE3-CD2 3.78Å; W62-F119 HydrophobicContact CE3-CD2 3.78Å; W62-F119 AromaticContact CG-CD2 3.77Å; W62-F119 HydrophobicContact CG-CD2 3.77Å; W62-F119 AromaticContact CG-CE2 3.84Å; W62-F119 HydrophobicContact CG-CE2 3.84Å; W62-Y122 AromaticContact CE2-CD1 3.95Å; W62-Y122 AromaticContact CE2-CG 3.97Å; W62-Y122 HydrophobicContact CH2-CD2 4.35Å; W62-Y122 HydrophobicContact CH2-CG 4.05Å; W62-Y122 AromaticContact CZ2-CD1 3.94Å; W62-Y122 HydrophobicContact CZ2-CD1 3.94Å; W62-Y122 AromaticContact CZ2-CD2 3.56Å; W62-Y122 HydrophobicContact CZ2-CD2 3.56Å; W62-Y122 HydrophobicContact CZ2-CE1 4.38Å; W62-Y122 HydrophobicContact CZ2-CE2 4.03Å; W62-Y122 AromaticContact CZ2-CG 3.47Å; W62-Y122 HydrophobicContact CZ2-CG 3.47Å; W62-Y122 VanDerWaalsContact CZ2-CG 3.47Å; W62-Y122 AromaticContact NE1-CD1 3.97Å; W62-Y122 AromaticContact NE1-CE1 3.66Å; W62-Y122 AromaticContact NE1-CZ 3.73Å
63A96.1Very high97Very high32 Ų3241.7 Ų41.726%0.26422%0.218SC..Hα-helixtrans-63.8-38-179.100000112.4A59 L60 W61 K66A59-A63 VanDerWaalsContact O-CB 3.23Å; A59-A63 WeakPolarHBondContact O-CB 3.49Å; A59-A63 PolarHBondContact O-N 3.43Å; L60-A63 PolarHBondContact O-N 3.35Å; W61-A63 VanDerWaalsContact C-N 3.34Å; W61-A63 PolarHBondContact O-N 3.3Å; A63-K66 VanDerWaalsContact O-CE 3.27Å; A63-K66 WeakPolarHBondContact O-CE 3.39Å; A63-K66 PolarHBondContact O-NZ 3.39Å
64S95.3Very high96.9Very high94 Ų9448 Ų4866%0.65724%0.241SC*.Hα-helixtrans-81.6-44.6179.658.20000113.2L60 W61 W62L60-S64 PolarHBondContact O-N 3.46Å; L60-S64 PolarHBondContact O-OG 2.92Å; W61-S64 PolarHBondContact O-N 3.26Å; W61-S64 PolarHBondContact O-OG 3.08Å; W61-S64 VanDerWaalsContact O-OG 3.06Å; W62-S64 VanDerWaalsContact C-N 3.33Å; W62-S64 PolarHBondContact O-N 3.19Å
65S94.2Very high96.9Very high33 Ų3352.5 Ų52.523%0.23126%0.263CS..Hα-helixtrans-86.1-25.6-175.167.10000113.9W61 K67W61-S65 WeakPolarHBondContact O-CB 3.48Å; W61-S65 PolarHBondContact O-N 3.36Å; W61-S65 PolarHBondContact O-OG 3.37Å; S65-K67 PolarHBondContact O-N 3.15Å; S65-K67 PolarHBondContact OG-N 3.47Å; S65-K67 VanDerWaalsContact OG-N 3.15Å
66K92.5Very high96.9Very high144 Ų14457.7 Ų57.763%0.62629%0.286SS*.  trans54.620.8-165.5-53.6-53.2-171.2-159.80113.8W62 A63W62-K66 VanDerWaalsContact O-CA 3.23Å; W62-K66 WeakPolarHBondContact O-CA 3.2Å; W62-K66 PolarHBondContact O-N 3.38Å; A63-K66 VanDerWaalsContact O-CE 3.27Å; A63-K66 WeakPolarHBondContact O-CE 3.39Å; A63-K66 PolarHBondContact O-NZ 3.39Å
67K93.8Very high96.7Very high106 Ų10658 Ų5846%0.46129%0.287SS..  trans-107.8149.7180-65.9-179.6178.5-168.10111.2S65 E69S65-K67 PolarHBondContact O-N 3.15Å; S65-K67 PolarHBondContact OG-N 3.47Å; S65-K67 VanDerWaalsContact OG-N 3.15Å; K67-E69 HydrophobicContact CB-CB 4.39Å; K67-E69 HydrophobicContact CB-CG 4.27Å; K67-E69 WeakPolarHBondContact CD-OE2 3.47Å; K67-E69 IonicContact NZ-OE2 3.05Å
68T96.1Very high96.5Very high40 Ų4065.3 Ų65.325%0.24532%0.32CS..  trans-101.257.6173.255.30000110.5K76 W77 Y122T68-K76 VanDerWaalsContact O-CA 3.28Å; T68-K76 WeakPolarHBondContact O-CA 3.34Å; T68-W77 VanDerWaalsContact CA-CE2 3.44Å; T68-W77 VanDerWaalsContact CA-CZ2 3.44Å; T68-W77 HydrophobicContact CG2-CZ2 4.04Å; T68-W77 PolarHBondContact O-N 3.29Å; T68-Y122 HydrophobicContact CG2-CE1 4.48Å; T68-Y122 VanDerWaalsContact CG2-OH 3.24Å; T68-Y122 WeakPolarHBondContact CG2-OH 3.37Å
69E97.5Very high96.2Very high38 Ų3867.9 Ų67.918%0.17835%0.347CS..BIsolated β-bridgetrans-128.1141.8-173.7-70.3169.9-165.800110.2W61 K67 E75 K76 W77W61-E69 PolarHBondContact NE1-O 2.75Å; K67-E69 HydrophobicContact CB-CB 4.39Å; K67-E69 HydrophobicContact CB-CG 4.27Å; K67-E69 WeakPolarHBondContact CD-OE2 3.47Å; K67-E69 IonicContact NZ-OE2 3.05Å; E69-E75 CarbonylContact C-O 3.58Å; E69-E75 WeakPolarHBondContact CA-O 3.44Å; E69-K76 HydrophobicContact CG-CG 3.84Å; E69-W77 VanDerWaalsContact C-CE3 3.45Å; E69-W77 VanDerWaalsContact C-CZ3 3.41Å; E69-W77 WeakPolarHBondContact O-CZ3 3.43Å
70C98.2Very high96.1Very high0 Ų070.1 Ų70.10%036%0.357CS..  trans-53.4129.7175.2-179.20000111.3L47 C49 E72 C73 R74 E75L47-C70 HydrophobicContact CD1-CB 3.74Å; C49-C70 VanDerWaalsContact SG-SG 3.69Å; C70-E72 PolarHBondContact O-N 3.36Å; C70-E72 PolarHBondContact SG-N 3.08Å; C70-E72 VanDerWaalsContact SG-N 3.41Å; C70-C73 VanDerWaalsContact CB-SG 3.55Å; C70-C73 PolarHBondContact SG-N 3.1Å; C70-R74 VanDerWaalsContact O-CA 3.25Å; C70-R74 WeakPolarHBondContact O-CA 3.43Å; C70-R74 PolarHBondContact O-N 2.79Å; C70-E75 PolarHBondContact N-O 2.78Å
71P97.7Very high96Very high19 Ų1967.4 Ų67.412%0.12334%0.343CS..THydrogen-bonded Turntrans-56.2-32.9174-24.831.9000113.8F53 L58 W61 R74F53-P71 HydrophobicContact CD1-CG 4.38Å; F53-P71 HydrophobicContact CD2-CG 4.41Å; F53-P71 HydrophobicContact CE1-CB 4.06Å; F53-P71 HydrophobicContact CE1-CG 4.12Å; F53-P71 HydrophobicContact CE2-CG 4.18Å; F53-P71 HydrophobicContact CZ-CB 4.11Å; F53-P71 HydrophobicContact CZ-CG 4.02Å; L58-P71 HydrophobicContact CD1-CG 4.28Å; W61-P71 HydrophobicContact CB-CG 4.21Å; W61-P71 HydrophobicContact CD2-CB 4.24Å; W61-P71 HydrophobicContact CD2-CG 4.14Å; W61-P71 HydrophobicContact CG-CB 4.36Å; W61-P71 HydrophobicContact CG-CG 3.75Å; P71-R74 PolarHBondContact O-NH1 3.12Å; P71-R74 VanDerWaalsContact O-NH1 3.16Å
72E97Very high95.9Very high98 Ų9872.6 Ų72.646%0.45837%0.367SS..THydrogen-bonded Turntrans-86.2-66.4-175.5-165.270.7-148.500111.7H35 F53 C70H35-E72 WeakPolarHBondContact CB-OE2 3.36Å; H35-E72 IonicContact CG-OE2 2.88Å; F53-E72 HydrophobicContact CE1-CB 4.46Å; F53-E72 HydrophobicContact CZ-CB 3.93Å; C70-E72 PolarHBondContact O-N 3.36Å; C70-E72 PolarHBondContact SG-N 3.08Å; C70-E72 VanDerWaalsContact SG-N 3.41Å
73C97.9Very high96Very high56 Ų5672.6 Ų72.638%0.37837%0.37SS..THydrogen-bonded Turntrans-97.7-1.6-170.967.60000114.8C70 E75C70-C73 VanDerWaalsContact CB-SG 3.55Å; C70-C73 PolarHBondContact SG-N 3.1Å; C73-E75 PolarHBondContact O-N 3.28Å; C73-E75 VanDerWaalsContact SG-CB 3.6Å
74R97.4Very high96.1Very high134 Ų13472.8 Ų72.851%0.50637%0.37SS..  trans63.33.8-177.4-49.2-57.9-176.1-164.3-0.4116.2C70 P71 K76C70-R74 VanDerWaalsContact O-CA 3.25Å; C70-R74 WeakPolarHBondContact O-CA 3.43Å; C70-R74 PolarHBondContact O-N 2.79Å; P71-R74 PolarHBondContact O-NH1 3.12Å; P71-R74 VanDerWaalsContact O-NH1 3.16Å; R74-K76 PolarHBondContact O-N 3.15Å
75E98.2Very high96.2Very high95 Ų9572.5 Ų72.544%0.44436%0.36SS..PPolyproline II helixtrans-62.2134.8175-169.1173.9158.500110.9C49 E69 C70 C73 W77C49-E75 HydrophobicContact CB-CB 4.01Å; C49-E75 HydrophobicContact CB-CG 4.22Å; C49-E75 WeakPolarHBondContact CB-OE2 3.48Å; E69-E75 CarbonylContact C-O 3.58Å; E69-E75 WeakPolarHBondContact CA-O 3.44Å; C70-E75 PolarHBondContact N-O 2.78Å; C73-E75 PolarHBondContact O-N 3.28Å; C73-E75 VanDerWaalsContact SG-CB 3.6Å; E75-W77 PolarHBondContact O-N 3.03Å
76K97.6Very high96.4Very high143 Ų14377.9 Ų77.962%0.62239%0.386SS*.BIsolated β-bridgetrans-67.4133177.2-72.9-177.4-179.61790109.9N48 T68 E69 R74N48-K76 PolarHBondContact ND2-O 3.5Å; N48-K76 VanDerWaalsContact ND2-O 3.13Å; T68-K76 VanDerWaalsContact O-CA 3.28Å; T68-K76 WeakPolarHBondContact O-CA 3.34Å; E69-K76 HydrophobicContact CG-CG 3.84Å; R74-K76 PolarHBondContact O-N 3.15Å
77W95.4Very high96.6Very high14 Ų1473 Ų735%0.05337%0.366CS..PPolyproline II helixtrans-86.4145.4174.366.464000112.5L47 N48 L58 W62 T68 E69 E75 G79 F119L47-W77 HydrophobicContact CD1-CE3 3.72Å; L47-W77 HydrophobicContact CD1-CZ3 4.35Å; L47-W77 HydrophobicContact CD2-CB 4.05Å; L47-W77 HydrophobicContact CD2-CD2 4.11Å; L47-W77 HydrophobicContact CD2-CE3 3.9Å; L47-W77 HydrophobicContact CD2-CG 4.21Å; L47-W77 HydrophobicContact CG-CE3 4.47Å; N48-W77 WeakPolarHBondContact OD1-CA 3.29Å; N48-W77 WeakPolarHBondContact OD1-CB 3.26Å; L58-W77 HydrophobicContact CD1-CE3 4.17Å; L58-W77 HydrophobicContact CD1-CH2 3.67Å; L58-W77 HydrophobicContact CD1-CZ3 3.39Å; L58-W77 HydrophobicContact CG-CH2 4.09Å; L58-W77 HydrophobicContact CG-CZ3 4.25Å; W62-W77 HydrophobicContact CB-CH2 4.49Å; T68-W77 VanDerWaalsContact CA-CE2 3.44Å; T68-W77 VanDerWaalsContact CA-CZ2 3.44Å; T68-W77 HydrophobicContact CG2-CZ2 4.04Å; T68-W77 PolarHBondContact O-N 3.29Å; E69-W77 VanDerWaalsContact C-CE3 3.45Å; E69-W77 VanDerWaalsContact C-CZ3 3.41Å; E69-W77 WeakPolarHBondContact O-CZ3 3.43Å; E75-W77 PolarHBondContact O-N 3.03Å; W77-G79 VanDerWaalsContact CD1-O 3.31Å; W77-F119 HydrophobicContact CZ2-CE2 4.44Å
78E92.8Very high96.9Very high164 Ų16470.7 Ų70.777%0.76636%0.355SS*.PPolyproline II helixtrans-93131.8-179.7-65.1-176.417600111.4
79G92.8Very high97Very high54 Ų5472.1 Ų72.156%0.55736%0.36SS*.SBendtrans59.4-161.9-177.200000113.3W77W77-G79 VanDerWaalsContact CD1-O 3.31Å
80F95.1Very high97Very high47 Ų4772.2 Ų72.221%0.20637%0.368CS..SBendtrans-91118.9174.9-172.2-112.1000110.5F119 Y122 G123F80-F119 HydrophobicContact CD2-CZ 4.34Å; F80-F119 HydrophobicContact CE2-CD1 4.05Å; F80-F119 HydrophobicContact CE2-CD2 4.09Å; F80-F119 AromaticContact CE2-CE1 3.69Å; F80-F119 HydrophobicContact CE2-CE1 3.69Å; F80-F119 AromaticContact CE2-CE2 3.76Å; F80-F119 HydrophobicContact CE2-CE2 3.76Å; F80-F119 HydrophobicContact CE2-CG 4.23Å; F80-F119 AromaticContact CE2-CZ 3.54Å; F80-F119 HydrophobicContact CE2-CZ 3.54Å; F80-F119 VanDerWaalsContact CE2-O 3.3Å; F80-F119 WeakPolarHBondContact CE2-O 3.19Å; F80-F119 AromaticContact CZ-CD1 3.89Å; F80-F119 HydrophobicContact CZ-CD1 3.89Å; F80-F119 AromaticContact CZ-CE1 3.72Å; F80-F119 HydrophobicContact CZ-CE1 3.72Å; F80-F119 HydrophobicContact CZ-CG 4.37Å; F80-F119 HydrophobicContact CZ-CZ 4.08Å; F80-F119 VanDerWaalsContact CZ-O 3.28Å; F80-F119 WeakPolarHBondContact CZ-O 3.29Å; F80-Y122 HydrophobicContact CD2-CD1 4.16Å; F80-Y122 HydrophobicContact CD2-CE1 4.42Å; F80-Y122 HydrophobicContact CE2-CD1 4.09Å; F80-G123 VanDerWaalsContact CE2-CA 3.43Å; F80-G123 VanDerWaalsContact CG-CA 3.43Å
81P95.7Very high97Very high10 Ų1072.2 Ų72.27%0.06537%0.368CS..  trans-70.4136.9-171.227.8-34.4000111.9T45 L47 L58 F119T45-P81 HydrophobicContact CG2-CB 3.66Å; T45-P81 HydrophobicContact CG2-CG 4.2Å; L47-P81 HydrophobicContact CD2-CB 3.67Å; L47-P81 HydrophobicContact CD2-CG 4.07Å; L58-P81 HydrophobicContact CD2-CB 4.21Å; L58-P81 HydrophobicContact CD2-CG 3.55Å; P81-F119 HydrophobicContact CG-CZ 4.12Å
82K95.9Very high97Very high170 Ų17074.7 Ų74.774%0.73938%0.378SS*.  trans-104.2153.7-173.7-63.7-177.9-177.7176.80111.6S84K82-S84 PolarHBondContact O-N 3.34Å
83V98Very high97Very high33 Ų3378.5 Ų78.520%0.239%0.393CS..BIsolated β-bridgetrans-66.6131.6173.11780000109N43 P44 I85 R88N43-V83 HydrophobicContact CB-CG1 4.26Å; N43-V83 HydrophobicContact CB-CG2 4.15Å; P44-V83 CarbonylContact O-C 3.57Å; P44-V83 WeakPolarHBondContact O-CA 3.24Å; P44-V83 WeakPolarHBondContact O-CG1 3.45Å; V83-I85 PolarHBondContact O-N 3.46Å; V83-R88 HydrophobicContact CG1-CB 4.47Å
84S98.1Very high96.9Very high36 Ų3679.8 Ų79.825%0.25240%0.395SS..  trans-75.1102.6170.5179.30000109.1P44 K82 L87 R88P44-S84 PolarHBondContact O-N 3.35Å; K82-S84 PolarHBondContact O-N 3.34Å; S84-L87 PolarHBondContact O-N 3.08Å; S84-L87 WeakPolarHBondContact OG-CB 3.48Å; S84-R88 WeakPolarHBondContact O-CB 3.42Å; S84-R88 PolarHBondContact O-N 3.22Å
85I98.3Very high96.9Very high88 Ų8875 Ų7545%0.45138%0.378SS..Hα-helixtrans-60.7-48.2-176.9-58.9-56000111V83 L87 R88 D89V83-I85 PolarHBondContact O-N 3.46Å; I85-L87 VanDerWaalsContact C-N 3.35Å; I85-L87 PolarHBondContact O-N 3.41Å; I85-R88 VanDerWaalsContact CD1-NH1 3.31Å; I85-R88 PolarHBondContact O-N 3.49Å; I85-D89 WeakPolarHBondContact CG2-OD2 3.42Å; I85-D89 WeakPolarHBondContact O-CB 3.48Å; I85-D89 PolarHBondContact O-N 3.23Å
86L98.3Very high96.8Very high147 Ų14774 Ų7477%0.7738%0.381SS*.Hα-helixtrans-61.8-42-179.5-66177.5000112.4A90L86-A90 VanDerWaalsContact O-CB 3.28Å; L86-A90 WeakPolarHBondContact O-CB 3.45Å; L86-A90 PolarHBondContact O-N 3.33Å
87L97.9Very high96.8Very high41 Ų4172.3 Ų72.322%0.21538%0.378CS..Hα-helixtrans-69.1-42.1179.5-176.455.6000111.1F32 P44 S84 I85 A90 I91F32-L87 HydrophobicContact CD1-CD1 3.97Å; F32-L87 HydrophobicContact CE1-CD1 3.86Å; P44-L87 HydrophobicContact CB-CB 4.49Å; P44-L87 HydrophobicContact CB-CD2 3.72Å; P44-L87 HydrophobicContact CB-CG 4.01Å; P44-L87 HydrophobicContact CG-CB 3.96Å; P44-L87 HydrophobicContact CG-CD2 4.06Å; P44-L87 HydrophobicContact CG-CG 3.78Å; S84-L87 PolarHBondContact O-N 3.08Å; S84-L87 WeakPolarHBondContact OG-CB 3.48Å; I85-L87 VanDerWaalsContact C-N 3.35Å; I85-L87 PolarHBondContact O-N 3.41Å; L87-A90 PolarHBondContact O-N 3.25Å; L87-I91 HydrophobicContact CD1-CD1 3.83Å; L87-I91 HydrophobicContact CD1-CG1 4.16Å; L87-I91 HydrophobicContact CG-CD1 3.81Å; L87-I91 WeakPolarHBondContact O-CD1 3.45Å; L87-I91 WeakPolarHBondContact O-CG1 3.46Å; L87-I91 PolarHBondContact O-N 3.42Å
88R98.4Very high96.8Very high58 Ų5873.2 Ų73.222%0.21939%0.388CS..Hα-helixtrans-57.6-53.6174.7-178.9-165.761.1-148.9-2.6110.9N43 P44 V83 S84 I85 A90 I91 E92N43-R88 WeakPolarHBondContact OD1-CD 3.48Å; P44-R88 HydrophobicContact CG-CB 4Å; V83-R88 HydrophobicContact CG1-CB 4.47Å; S84-R88 WeakPolarHBondContact O-CB 3.42Å; S84-R88 PolarHBondContact O-N 3.22Å; I85-R88 VanDerWaalsContact CD1-NH1 3.31Å; I85-R88 PolarHBondContact O-N 3.49Å; R88-A90 VanDerWaalsContact C-N 3.28Å; R88-A90 PolarHBondContact O-N 3.41Å; R88-I91 PolarHBondContact O-N 3.31Å; R88-I91 VanDerWaalsContact O-N 3.16Å; R88-E92 WeakPolarHBondContact CD-OE1 3.35Å; R88-E92 HydrophobicContact CG-CG 4.38Å; R88-E92 WeakPolarHBondContact CG-OE1 3.35Å; R88-E92 WeakPolarHBondContact O-CB 3.38Å; R88-E92 WeakPolarHBondContact O-CG 3.42Å; R88-E92 PolarHBondContact O-N 2.92Å
89D98.4Very high97.1Very high69 Ų6965.8 Ų65.837%0.36935%0.354SS..Hα-helixtrans-65-35.1-174.5-60.7-6.6000111I85 K93I85-D89 WeakPolarHBondContact CG2-OD2 3.42Å; I85-D89 WeakPolarHBondContact O-CB 3.48Å; I85-D89 PolarHBondContact O-N 3.23Å; D89-K93 VanDerWaalsContact O-CB 3.26Å; D89-K93 WeakPolarHBondContact O-CB 3.49Å; D89-K93 PolarHBondContact O-N 3.24Å
90A97.7Very high97.3Very high40 Ų4069 Ų6933%0.33135%0.349SS..Hα-helixtrans-63.8-47.617300000112L86 L87 R88 K93 L94L86-A90 VanDerWaalsContact O-CB 3.28Å; L86-A90 WeakPolarHBondContact O-CB 3.45Å; L86-A90 PolarHBondContact O-N 3.33Å; L87-A90 PolarHBondContact O-N 3.25Å; R88-A90 VanDerWaalsContact C-N 3.28Å; R88-A90 PolarHBondContact O-N 3.41Å; A90-K93 PolarHBondContact O-N 3.16Å; A90-L94 WeakPolarHBondContact O-CB 3.46Å; A90-L94 WeakPolarHBondContact O-CG 3.4Å; A90-L94 PolarHBondContact O-N 3.17Å
91I97.8Very high97.4Very high1 Ų170.9 Ų70.91%0.00536%0.361CS..Hα-helixtrans-65.4-44.3-180-64.4165000110.8F32 I40 L41 P44 L87 R88 K93 L94 F95 I99F32-I91 HydrophobicContact CB-CD1 3.97Å; F32-I91 HydrophobicContact CB-CG1 3.98Å; F32-I91 HydrophobicContact CD1-CD1 3.8Å; F32-I91 HydrophobicContact CD1-CG1 3.55Å; F32-I91 HydrophobicContact CD2-CG1 4.35Å; F32-I91 HydrophobicContact CE1-CG1 4.06Å; F32-I91 HydrophobicContact CG-CD1 4.09Å; F32-I91 HydrophobicContact CG-CG1 3.7Å; I40-I91 HydrophobicContact CD1-CG2 3.7Å; I40-I91 HydrophobicContact CG1-CG2 3.84Å; L41-I91 HydrophobicContact CB-CD1 3.83Å; L41-I91 HydrophobicContact CD1-CD1 4.33Å; P44-I91 HydrophobicContact CG-CD1 4.25Å; L87-I91 HydrophobicContact CD1-CD1 3.83Å; L87-I91 HydrophobicContact CD1-CG1 4.16Å; L87-I91 HydrophobicContact CG-CD1 3.81Å; L87-I91 WeakPolarHBondContact O-CD1 3.45Å; L87-I91 WeakPolarHBondContact O-CG1 3.46Å; L87-I91 PolarHBondContact O-N 3.42Å; R88-I91 PolarHBondContact O-N 3.31Å; R88-I91 VanDerWaalsContact O-N 3.16Å; I91-K93 VanDerWaalsContact C-N 3.28Å; I91-K93 PolarHBondContact O-N 2.89Å; I91-L94 PolarHBondContact O-N 3.08Å; I91-F95 PolarHBondContact O-N 3.05Å; I91-I99 HydrophobicContact CG2-CD1 3.63Å; I91-I99 HydrophobicContact CG2-CG1 3.82Å
92E97.4Very high97.4Very high70 Ų7072.5 Ų72.533%0.32737%0.366SS..Hα-helixtrans-59.8-38.5176.9-79.3174.1-169.600112.1R88 P96 I99R88-E92 WeakPolarHBondContact CD-OE1 3.35Å; R88-E92 HydrophobicContact CG-CG 4.38Å; R88-E92 WeakPolarHBondContact CG-OE1 3.35Å; R88-E92 WeakPolarHBondContact O-CB 3.38Å; R88-E92 WeakPolarHBondContact O-CG 3.42Å; R88-E92 PolarHBondContact O-N 2.92Å; E92-P96 WeakPolarHBondContact O-CA 3.47Å; E92-I99 HydrophobicContact CG-CG2 3.97Å
93K97.3Very high97.4Very high179 Ų17967 Ų6778%0.77834%0.342SS*.Hα-helixtrans-72.7-38.8177.3-174.9175.8-179.2179.20112.9D89 A90 I91D89-K93 VanDerWaalsContact O-CB 3.26Å; D89-K93 WeakPolarHBondContact O-CB 3.49Å; D89-K93 PolarHBondContact O-N 3.24Å; A90-K93 PolarHBondContact O-N 3.16Å; I91-K93 VanDerWaalsContact C-N 3.28Å; I91-K93 PolarHBondContact O-N 2.89Å
94L96.6Very high97.3Very high82 Ų8269.1 Ų69.143%0.42935%0.35SS..Hα-helixtrans-78.4-35.1-177.4-69.1171.9000112.3I27 F32 A90 I91I27-L94 HydrophobicContact CD1-CD1 4.41Å; F32-L94 HydrophobicContact CE2-CD1 3.95Å; F32-L94 HydrophobicContact CZ-CD1 4.08Å; A90-L94 WeakPolarHBondContact O-CB 3.46Å; A90-L94 WeakPolarHBondContact O-CG 3.4Å; A90-L94 PolarHBondContact O-N 3.17Å; I91-L94 PolarHBondContact O-N 3.08Å
95F97.2Very high97.2Very high33 Ų3371.7 Ų71.715%0.14536%0.361CS..  trans-136.459.5-172.6-51.4-72.9000112.9I27 V29 F32 I40 I91 D97 A98 I99I27-F95 HydrophobicContact CG2-CE2 4.42Å; I27-F95 HydrophobicContact CG2-CZ 4.11Å; I27-F95 WeakPolarHBondContact O-CZ 3.38Å; V29-F95 HydrophobicContact CB-CE1 4.49Å; V29-F95 HydrophobicContact CG2-CD1 3.37Å; V29-F95 HydrophobicContact CG2-CE1 3.61Å; V29-F95 HydrophobicContact CG2-CG 3.91Å; V29-F95 HydrophobicContact CG2-CZ 4.34Å; F32-F95 HydrophobicContact CD2-CD2 4.16Å; F32-F95 AromaticContact CD2-CE2 3.48Å; F32-F95 HydrophobicContact CD2-CE2 3.48Å; F32-F95 VanDerWaalsContact CD2-CE2 3.48Å; F32-F95 HydrophobicContact CD2-CZ 4.4Å; F32-F95 AromaticContact CE2-CE2 3.63Å; F32-F95 HydrophobicContact CE2-CE2 3.63Å; F32-F95 HydrophobicContact CE2-CZ 4.45Å; I40-F95 HydrophobicContact CD1-CB 3.71Å; I40-F95 HydrophobicContact CD1-CD2 4.2Å; I40-F95 HydrophobicContact CD1-CG 4.18Å; I91-F95 PolarHBondContact O-N 3.05Å; F95-D97 PolarHBondContact O-N 3.41Å; F95-A98 HydrophobicContact CB-CB 4.13Å; F95-A98 PolarHBondContact O-N 3.3Å; F95-I99 WeakPolarHBondContact O-CG1 3.25Å; F95-I99 PolarHBondContact O-N 3.45Å
96P96.9Very high97.2Very high76 Ų7668.1 Ų68.149%0.49434%0.343SS..Hα-helixtrans-60.5-41.8-173.823.5-34.3000113.3E92 I99 R100E92-P96 WeakPolarHBondContact O-CA 3.47Å; P96-I99 PolarHBondContact O-N 3.25Å; P96-R100 WeakPolarHBondContact O-CB 3.18Å; P96-R100 PolarHBondContact O-N 3.46Å
97D96.6Very high97Very high106 Ų10667.7 Ų67.757%0.56734%0.336SS*.Hα-helixtrans-68.7-43.2-178.8-70.4-46000112.6F95 I99 R100 L101F95-D97 PolarHBondContact O-N 3.41Å; D97-I99 VanDerWaalsContact C-N 3.31Å; D97-I99 PolarHBondContact O-N 3.23Å; D97-R100 PolarHBondContact O-N 2.89Å; D97-L101 WeakPolarHBondContact O-CG 3.43Å; D97-L101 PolarHBondContact O-N 3.47Å
98A96.2Very high96.9Very high33 Ų3372.9 Ų72.927%0.27336%0.359SS..Hα-helixtrans-62.1-43177.300000110.8I40 F95 R102I40-A98 HydrophobicContact CD1-CB 3.93Å; F95-A98 HydrophobicContact CB-CB 4.13Å; F95-A98 PolarHBondContact O-N 3.3Å; A98-R102 VanDerWaalsContact O-CB 3.29Å; A98-R102 WeakPolarHBondContact O-CB 3.24Å; A98-R102 PolarHBondContact O-N 2.89Å
99I97.8Very high96.9Very high8 Ų873.1 Ų73.14%0.04137%0.365CS..Hα-helixtrans-65.2-44.1176.6-73-64.5000111.8I40 L41 V42 I91 E92 F95 P96 D97 L101 R102 F103I40-I99 HydrophobicContact CD1-CD1 3.78Å; I40-I99 HydrophobicContact CD1-CG1 3.87Å; I40-I99 HydrophobicContact CG1-CD1 3.91Å; I40-I99 HydrophobicContact CG2-CD1 4.03Å; L41-I99 WeakPolarHBondContact O-CD1 3.47Å; V42-I99 HydrophobicContact CG2-CD1 4.08Å; I91-I99 HydrophobicContact CG2-CD1 3.63Å; I91-I99 HydrophobicContact CG2-CG1 3.82Å; E92-I99 HydrophobicContact CG-CG2 3.97Å; F95-I99 WeakPolarHBondContact O-CG1 3.25Å; F95-I99 PolarHBondContact O-N 3.45Å; P96-I99 PolarHBondContact O-N 3.25Å; D97-I99 VanDerWaalsContact C-N 3.31Å; D97-I99 PolarHBondContact O-N 3.23Å; I99-L101 PolarHBondContact O-N 3.06Å; I99-R102 PolarHBondContact O-N 3.41Å; I99-F103 HydrophobicContact CG2-CD2 3.3Å; I99-F103 HydrophobicContact CG2-CE2 3.25Å; I99-F103 WeakPolarHBondContact O-CB 3.35Å; I99-F103 VanDerWaalsContact O-CD2 3.24Å; I99-F103 WeakPolarHBondContact O-CD2 3.08Å; I99-F103 PolarHBondContact O-N 2.89Å
100R97.3Very high96.8Very high121 Ų12175.9 Ų75.946%0.45738%0.38SS..Hα-helixtrans-58.5-50.6178.5-176.8-179.561.174.20.4111.7P96 D97 R102 F103 E104P96-R100 WeakPolarHBondContact O-CB 3.18Å; P96-R100 PolarHBondContact O-N 3.46Å; D97-R100 PolarHBondContact O-N 2.89Å; R100-R102 VanDerWaalsContact C-N 3.32Å; R100-R102 PolarHBondContact O-N 2.78Å; R100-F103 PolarHBondContact O-N 2.79Å; R100-E104 WeakPolarHBondContact CG-OE1 3Å; R100-E104 IonicContact CZ-OE1 3.38Å; R100-E104 IonicContact NH1-OE1 3.81Å; R100-E104 PolarHBondContact NH1-OE1 3.03Å; R100-E104 IonicContact NH1-OE2 3.98Å; R100-E104 WeakPolarHBondContact O-CG 3.43Å; R100-E104 PolarHBondContact O-N 2.94Å; R100-E104 VanDerWaalsContact O-N 3.1Å
101L96.5Very high96.6Very high87 Ų8779.5 Ų79.546%0.45539%0.394SS..Hα-helixtrans-59-46.2177.6-68.2172.6000111D97 I99 F103 E104 D105D97-L101 WeakPolarHBondContact O-CG 3.43Å; D97-L101 PolarHBondContact O-N 3.47Å; I99-L101 PolarHBondContact O-N 3.06Å; L101-F103 VanDerWaalsContact C-N 3.32Å; L101-F103 PolarHBondContact O-N 3.04Å; L101-E104 PolarHBondContact O-N 3.5Å; L101-D105 PolarHBondContact O-N 3.17Å; L101-D105 VanDerWaalsContact O-N 3.07Å
102R96.9Very high96.6Very high45 Ų4580.4 Ų80.417%0.1740%0.399CS..Hα-helixtrans-64.7-35.8-180-167.960.5173177.5-8.9112.7C37 D39 I40 V42 A98 I99 R100 I106C37-R102 PolarHBondContact SG-NH2 3.13Å; D39-R102 WeakPolarHBondContact OD2-CD 3.36Å; D39-R102 IonicContact OD2-CZ 3.19Å; D39-R102 IonicContact OD2-NE 2.9Å; D39-R102 PolarHBondContact OD2-NE 3.23Å; D39-R102 IonicContact OD2-NH1 2.8Å; D39-R102 PolarHBondContact OD2-NH1 3.18Å; D39-R102 IonicContact OD2-NH2 3.72Å; D39-R102 PolarHBondContact OD2-NH2 3.37Å; I40-R102 HydrophobicContact CG2-CB 3.99Å; I40-R102 HydrophobicContact CG2-CG 4.03Å; V42-R102 HydrophobicContact CG2-CB 3.94Å; V42-R102 HydrophobicContact CG2-CG 3.51Å; A98-R102 VanDerWaalsContact O-CB 3.29Å; A98-R102 WeakPolarHBondContact O-CB 3.24Å; A98-R102 PolarHBondContact O-N 2.89Å; I99-R102 PolarHBondContact O-N 3.41Å; R100-R102 VanDerWaalsContact C-N 3.32Å; R100-R102 PolarHBondContact O-N 2.78Å; R102-I106 HydrophobicContact CG-CD1 4.08Å; R102-I106 WeakPolarHBondContact O-CB 3.36Å; R102-I106 VanDerWaalsContact O-CD1 3.28Å; R102-I106 WeakPolarHBondContact O-CD1 3.28Å; R102-I106 WeakPolarHBondContact O-CG1 3.35Å; R102-I106 PolarHBondContact O-N 3.49Å; R102-I106 VanDerWaalsContact O-N 3.08Å
103F96.1Very high96.6Very high54 Ų5480.3 Ų80.324%0.23740%0.403CS..Hα-helixtrans-63.9-42.7174.1-92.7-65.2000112.1V42 I99 R100 L101 I106 Q107V42-F103 HydrophobicContact CG1-CD1 3.63Å; V42-F103 HydrophobicContact CG1-CD2 4.36Å; V42-F103 HydrophobicContact CG1-CE1 3.24Å; V42-F103 HydrophobicContact CG1-CE2 4.03Å; V42-F103 HydrophobicContact CG1-CG 4.18Å; V42-F103 HydrophobicContact CG1-CZ 3.47Å; V42-F103 VanDerWaalsContact CG1-CZ 3.47Å; I99-F103 HydrophobicContact CG2-CD2 3.3Å; I99-F103 HydrophobicContact CG2-CE2 3.25Å; I99-F103 WeakPolarHBondContact O-CB 3.35Å; I99-F103 VanDerWaalsContact O-CD2 3.24Å; I99-F103 WeakPolarHBondContact O-CD2 3.08Å; I99-F103 PolarHBondContact O-N 2.89Å; R100-F103 PolarHBondContact O-N 2.79Å; L101-F103 VanDerWaalsContact C-N 3.32Å; L101-F103 PolarHBondContact O-N 3.04Å; F103-I106 PolarHBondContact O-N 3.06Å; F103-Q107 WeakPolarHBondContact O-CG 3.37Å; F103-Q107 PolarHBondContact O-N 2.93Å
104E96.2Very high96.5Very high78 Ų7878.5 Ų78.536%0.36440%0.397SS..Hα-helixtrans-60.4-47.3176.6-70167.7-160.100110.6R100 L101 I106 Q107 Q108R100-E104 WeakPolarHBondContact CG-OE1 3Å; R100-E104 IonicContact CZ-OE1 3.38Å; R100-E104 IonicContact NH1-OE1 3.81Å; R100-E104 PolarHBondContact NH1-OE1 3.03Å; R100-E104 IonicContact NH1-OE2 3.98Å; R100-E104 WeakPolarHBondContact O-CG 3.43Å; R100-E104 PolarHBondContact O-N 2.94Å; R100-E104 VanDerWaalsContact O-N 3.1Å; L101-E104 PolarHBondContact O-N 3.5Å; E104-I106 VanDerWaalsContact C-N 3.33Å; E104-I106 PolarHBondContact O-N 3.46Å; E104-Q107 PolarHBondContact O-N 2.72Å; E104-Q108 WeakPolarHBondContact O-CG 3.23Å; E104-Q108 PolarHBondContact O-N 3.03Å; E104-Q108 VanDerWaalsContact O-N 3.09Å
105D96.1Very high96.5Very high90 Ų9075.1 Ų75.148%0.48138%0.38SS..Hα-helixtrans-58.1-43.2176.7-70.6-11.1000112.4L101 Q108 N109L101-D105 PolarHBondContact O-N 3.17Å; L101-D105 VanDerWaalsContact O-N 3.07Å; D105-Q108 PolarHBondContact O-N 3Å; D105-N109 PolarHBondContact O-N 2.96Å
106I96.8Very high96.5Very high13 Ų1375 Ų757%0.06738%0.381CS..Hα-helixtrans-64.4-41.1178.7-73.4162000111.2V42 H56 R102 F103 E104 N109 I112V42-I106 HydrophobicContact CB-CD1 3.7Å; V42-I106 HydrophobicContact CG1-CD1 3.72Å; V42-I106 HydrophobicContact CG2-CD1 3.76Å; H56-I106 WeakPolarHBondContact CE1-CD1 3.2Å; R102-I106 HydrophobicContact CG-CD1 4.08Å; R102-I106 WeakPolarHBondContact O-CB 3.36Å; R102-I106 VanDerWaalsContact O-CD1 3.28Å; R102-I106 WeakPolarHBondContact O-CD1 3.28Å; R102-I106 WeakPolarHBondContact O-CG1 3.35Å; R102-I106 PolarHBondContact O-N 3.49Å; R102-I106 VanDerWaalsContact O-N 3.08Å; F103-I106 PolarHBondContact O-N 3.06Å; E104-I106 VanDerWaalsContact C-N 3.33Å; E104-I106 PolarHBondContact O-N 3.46Å; I106-N109 PolarHBondContact O-N 3.44Å; I106-I112 HydrophobicContact CG2-CG2 3.77Å
107Q94.6Very high96.5Very high137 Ų13774 Ų7464%0.6438%0.378SS*.Hα-helixtrans-70.8-31.8-178.4-74.9-177.110.600112.9F103 E104 N109F103-Q107 WeakPolarHBondContact O-CG 3.37Å; F103-Q107 PolarHBondContact O-N 2.93Å; E104-Q107 PolarHBondContact O-N 2.72Å; Q107-N109 PolarHBondContact O-N 3.41Å
108Q96.5Very high96.4Very high150 Ų15071 Ų7170%0.70137%0.369SS*.Hα-helixtrans-73.7-15.7177.2-68.7177.91600112.8E104 D105 N110E104-Q108 WeakPolarHBondContact O-CG 3.23Å; E104-Q108 PolarHBondContact O-N 3.03Å; E104-Q108 VanDerWaalsContact O-N 3.09Å; D105-Q108 PolarHBondContact O-N 3Å; Q108-N110 PolarHBondContact O-N 3.1Å
109N97.1Very high96.4Very high64 Ų6469.5 Ų69.534%0.34236%0.356SS..  trans-90.9102.2179.6-171.6-40.5000111.8D105 I106 Q107 D111 I112 V113D105-N109 PolarHBondContact O-N 2.96Å; I106-N109 PolarHBondContact O-N 3.44Å; Q107-N109 PolarHBondContact O-N 3.41Å; N109-D111 VanDerWaalsContact C-N 3.32Å; N109-D111 PolarHBondContact O-N 3.29Å; N109-D111 WeakPolarHBondContact OD1-CB 3.33Å; N109-D111 PolarHBondContact OD1-N 3.15Å; N109-D111 VanDerWaalsContact OD1-N 3.1Å; N109-I112 HydrophobicContact CB-CB 4.08Å; N109-I112 HydrophobicContact CB-CD1 3.85Å; N109-I112 HydrophobicContact CB-CG1 4.09Å; N109-I112 PolarHBondContact O-N 3.4Å; N109-I112 PolarHBondContact OD1-N 2.8Å; N109-I112 VanDerWaalsContact OD1-N 3.08Å; N109-V113 WeakPolarHBondContact O-CG2 3.36Å; N109-V113 PolarHBondContact O-N 2.91Å; N109-V113 VanDerWaalsContact O-N 3.08Å
110N96.3Very high96.3Very high127 Ų12773.8 Ų73.868%0.67938%0.376SS*.Hα-helixtrans-58.5-38.7-179.6-72.8-39.9000113.7Q108 I112 V113 Q114Q108-N110 PolarHBondContact O-N 3.1Å; N110-I112 VanDerWaalsContact C-N 3.32Å; N110-I112 PolarHBondContact O-N 3.26Å; N110-V113 PolarHBondContact O-N 3.48Å; N110-Q114 WeakPolarHBondContact O-CB 3.49Å; N110-Q114 PolarHBondContact O-N 3.03Å
111D95.3Very high96.2Very high115 Ų11574.7 Ų74.762%0.61538%0.383SS*.Hα-helixtrans-65.1-40.2-179.1-63.3-28.9000110.9N109 S115N109-D111 VanDerWaalsContact C-N 3.32Å; N109-D111 PolarHBondContact O-N 3.29Å; N109-D111 WeakPolarHBondContact OD1-CB 3.33Å; N109-D111 PolarHBondContact OD1-N 3.15Å; N109-D111 VanDerWaalsContact OD1-N 3.1Å; D111-S115 VanDerWaalsContact O-CB 3.24Å; D111-S115 WeakPolarHBondContact O-CB 3.43Å; D111-S115 PolarHBondContact O-N 3.22Å
112I97Very high96.1Very high21 Ų2173.3 Ų73.311%0.10837%0.372CS..Hα-helixtrans-62.8-50.3174.3-71.7176.4000110.6H56 L60 I106 N109 N110 Q114 S115 L116H56-I112 HydrophobicContact CB-CG2 3.53Å; L60-I112 HydrophobicContact CD1-CG1 4.09Å; I106-I112 HydrophobicContact CG2-CG2 3.77Å; N109-I112 HydrophobicContact CB-CB 4.08Å; N109-I112 HydrophobicContact CB-CD1 3.85Å; N109-I112 HydrophobicContact CB-CG1 4.09Å; N109-I112 PolarHBondContact O-N 3.4Å; N109-I112 PolarHBondContact OD1-N 2.8Å; N109-I112 VanDerWaalsContact OD1-N 3.08Å; N110-I112 VanDerWaalsContact C-N 3.32Å; N110-I112 PolarHBondContact O-N 3.26Å; I112-Q114 VanDerWaalsContact C-N 3.31Å; I112-Q114 PolarHBondContact O-N 3.5Å; I112-S115 PolarHBondContact O-N 2.94Å; I112-L116 HydrophobicContact CG2-CD1 3.96Å; I112-L116 HydrophobicContact CG2-CG 4.41Å; I112-L116 WeakPolarHBondContact O-CB 3.4Å; I112-L116 WeakPolarHBondContact O-CG 3.27Å; I112-L116 PolarHBondContact O-N 2.88Å
113V96.4Very high95.8Very high68 Ų6871.3 Ų71.341%0.41237%0.365SS..Hα-helixtrans-60-44-178.4172.90000110.9N109 N110 L116 A117N109-V113 WeakPolarHBondContact O-CG2 3.36Å; N109-V113 PolarHBondContact O-N 2.91Å; N109-V113 VanDerWaalsContact O-N 3.08Å; N110-V113 PolarHBondContact O-N 3.48Å; V113-L116 PolarHBondContact O-N 3.32Å; V113-A117 PolarHBondContact O-N 3.39Å
114Q96.4Very high95.6Very high141 Ų14174 Ų7466%0.65938%0.382SS*.Hα-helixtrans-64.8-44.1177.4-175176.8-0.500112N110 I112 L116 A117 A118N110-Q114 WeakPolarHBondContact O-CB 3.49Å; N110-Q114 PolarHBondContact O-N 3.03Å; I112-Q114 VanDerWaalsContact C-N 3.31Å; I112-Q114 PolarHBondContact O-N 3.5Å; Q114-L116 PolarHBondContact O-N 3.41Å; Q114-A117 PolarHBondContact O-N 3.49Å; Q114-A118 PolarHBondContact O-N 3.48Å
115S96.1Very high95.3Very high10 Ų1075.8 Ų75.87%0.0739%0.394CS..Hα-helixtrans-61.4-43.7177.5-176.70000111.8A59 L60 D111 I112 A118 F119A59-S115 PolarHBondContact O-OG 3.01Å; L60-S115 WeakPolarHBondContact CA-OG 3.28Å; L60-S115 PolarHBondContact N-OG 3.45Å; D111-S115 VanDerWaalsContact O-CB 3.24Å; D111-S115 WeakPolarHBondContact O-CB 3.43Å; D111-S115 PolarHBondContact O-N 3.22Å; I112-S115 PolarHBondContact O-N 2.94Å; S115-A118 PolarHBondContact O-N 2.96Å; S115-F119 WeakPolarHBondContact O-CB 3.48Å; S115-F119 PolarHBondContact O-N 2.85Å
116L96.8Very high94.4Very high32 Ų3275.3 Ų75.317%0.16839%0.389CS..Hα-helixtrans-58.4-47.9174.5-83.8172.2000112.2R55 H56 A59 I112 V113 Q114 A118 F119 Q120R55-L116 HydrophobicContact CB-CD2 4.34Å; R55-L116 HydrophobicContact CG-CD2 3.8Å; H56-L116 HydrophobicContact CB-CD1 3.93Å; H56-L116 HydrophobicContact CB-CD2 3.95Å; H56-L116 HydrophobicContact CB-CG 3.88Å; A59-L116 HydrophobicContact CB-CD2 4.1Å; A59-L116 HydrophobicContact CB-CG 4.46Å; I112-L116 HydrophobicContact CG2-CD1 3.96Å; I112-L116 HydrophobicContact CG2-CG 4.41Å; I112-L116 WeakPolarHBondContact O-CB 3.4Å; I112-L116 WeakPolarHBondContact O-CG 3.27Å; I112-L116 PolarHBondContact O-N 2.88Å; V113-L116 PolarHBondContact O-N 3.32Å; Q114-L116 PolarHBondContact O-N 3.41Å; L116-A118 PolarHBondContact O-N 3.01Å; L116-F119 PolarHBondContact O-N 2.83Å; L116-Q120 WeakPolarHBondContact O-CB 3.23Å; L116-Q120 WeakPolarHBondContact O-CG 3.24Å; L116-Q120 PolarHBondContact O-N 3.45Å
117A96.6Very high92.9Very high53 Ų5380 Ų8044%0.43841%0.413SS..Hα-helixtrans-61.5-43.9179.700000111.7V113 Q114 F119 Q120 K121V113-A117 PolarHBondContact O-N 3.39Å; Q114-A117 PolarHBondContact O-N 3.49Å; A117-F119 PolarHBondContact O-N 3.31Å; A117-Q120 PolarHBondContact O-N 3.46Å; A117-K121 PolarHBondContact O-N 3.13Å
118A96.1Very high91.1Very high45 Ų4578.9 Ų78.937%0.37242%0.418SS..Hα-helixtrans-62.7-42.6175.800000112.1W62 Q114 S115 L116 K121 Y122W62-A118 HydrophobicContact CZ3-CB 4.4Å; Q114-A118 PolarHBondContact O-N 3.48Å; S115-A118 PolarHBondContact O-N 2.96Å; L116-A118 PolarHBondContact O-N 3.01Å; A118-K121 PolarHBondContact O-N 3.15Å; A118-Y122 PolarHBondContact O-N 3.18Å
119F96.3Very high89.1Confident0 Ų079.4 Ų79.40%043%0.425CS..Hα-helixtrans-66.3-38.9178.5-173.9-118.6000112.4L58 A59 W62 W77 F80 P81 S115 L116 A117 Y122 G123L58-F119 HydrophobicContact CD2-CE1 4.28Å; L58-F119 HydrophobicContact CD2-CZ 4Å; L58-F119 HydrophobicContact CG-CE1 4.48Å; L58-F119 HydrophobicContact CG-CZ 4.11Å; A59-F119 HydrophobicContact CB-CB 3.54Å; A59-F119 HydrophobicContact CB-CD1 3.86Å; A59-F119 HydrophobicContact CB-CG 3.77Å; W62-F119 HydrophobicContact CB-CD2 3.92Å; W62-F119 HydrophobicContact CB-CE2 3.87Å; W62-F119 AromaticContact CD2-CD2 3.71Å; W62-F119 HydrophobicContact CD2-CD2 3.71Å; W62-F119 HydrophobicContact CD2-CE2 4.23Å; W62-F119 HydrophobicContact CE3-CB 4.3Å; W62-F119 AromaticContact CE3-CD2 3.78Å; W62-F119 HydrophobicContact CE3-CD2 3.78Å; W62-F119 AromaticContact CG-CD2 3.77Å; W62-F119 HydrophobicContact CG-CD2 3.77Å; W62-F119 AromaticContact CG-CE2 3.84Å; W62-F119 HydrophobicContact CG-CE2 3.84Å; W77-F119 HydrophobicContact CZ2-CE2 4.44Å; F80-F119 HydrophobicContact CD2-CZ 4.34Å; F80-F119 HydrophobicContact CE2-CD1 4.05Å; F80-F119 HydrophobicContact CE2-CD2 4.09Å; F80-F119 AromaticContact CE2-CE1 3.69Å; F80-F119 HydrophobicContact CE2-CE1 3.69Å; F80-F119 AromaticContact CE2-CE2 3.76Å; F80-F119 HydrophobicContact CE2-CE2 3.76Å; F80-F119 HydrophobicContact CE2-CG 4.23Å; F80-F119 AromaticContact CE2-CZ 3.54Å; F80-F119 HydrophobicContact CE2-CZ 3.54Å; F80-F119 VanDerWaalsContact CE2-O 3.3Å; F80-F119 WeakPolarHBondContact CE2-O 3.19Å; F80-F119 AromaticContact CZ-CD1 3.89Å; F80-F119 HydrophobicContact CZ-CD1 3.89Å; F80-F119 AromaticContact CZ-CE1 3.72Å; F80-F119 HydrophobicContact CZ-CE1 3.72Å; F80-F119 HydrophobicContact CZ-CG 4.37Å; F80-F119 HydrophobicContact CZ-CZ 4.08Å; F80-F119 VanDerWaalsContact CZ-O 3.28Å; F80-F119 WeakPolarHBondContact CZ-O 3.29Å; P81-F119 HydrophobicContact CG-CZ 4.12Å; S115-F119 WeakPolarHBondContact O-CB 3.48Å; S115-F119 PolarHBondContact O-N 2.85Å; L116-F119 PolarHBondContact O-N 2.83Å; A117-F119 PolarHBondContact O-N 3.31Å; F119-Y122 HydrophobicContact CD2-CD1 4.47Å; F119-Y122 HydrophobicContact CE2-CD1 4.5Å; F119-Y122 PolarHBondContact O-N 3.35Å; F119-G123 PolarHBondContact O-N 3.5Å; F119-G123 VanDerWaalsContact O-N 3.08Å
120Q95Very high86.7Confident98 Ų9880.2 Ų80.246%0.45844%0.44SS..Hα-helixtrans-64.3-43.5174-75172.3-18.300112.1L116 A117 Y122 G123 N124L116-Q120 WeakPolarHBondContact O-CB 3.23Å; L116-Q120 WeakPolarHBondContact O-CG 3.24Å; L116-Q120 PolarHBondContact O-N 3.45Å; A117-Q120 PolarHBondContact O-N 3.46Å; Q120-Y122 VanDerWaalsContact C-N 3.35Å; Q120-Y122 PolarHBondContact O-N 3.03Å; Q120-G123 PolarHBondContact O-N 3.32Å; Q120-N124 PolarHBondContact O-N 3.04Å
121K95.6Very high84.3Confident140 Ų14079.7 Ų79.761%0.60944%0.444SS*.Hα-helixtrans-58.1-48.5175.2-177.5-178.8176.2-177.50111.3A117 A118 G123 N124 D125A117-K121 PolarHBondContact O-N 3.13Å; A118-K121 PolarHBondContact O-N 3.15Å; K121-G123 VanDerWaalsContact C-N 3.28Å; K121-G123 PolarHBondContact O-N 3.19Å; K121-N124 PolarHBondContact O-N 2.81Å; K121-N124 VanDerWaalsContact O-N 3.11Å; K121-D125 PolarHBondContact O-N 3.08Å
122Y93.3Very high81.9Confident59 Ų5981.4 Ų81.423%0.23145%0.453CS..Hα-helixtrans-54.3-44.5175.2168.9-103.8000112.4W62 T68 F80 A118 F119 Q120 N124 D125 Q126W62-Y122 AromaticContact CE2-CD1 3.95Å; W62-Y122 AromaticContact CE2-CG 3.97Å; W62-Y122 HydrophobicContact CH2-CD2 4.35Å; W62-Y122 HydrophobicContact CH2-CG 4.05Å; W62-Y122 AromaticContact CZ2-CD1 3.94Å; W62-Y122 HydrophobicContact CZ2-CD1 3.94Å; W62-Y122 AromaticContact CZ2-CD2 3.56Å; W62-Y122 HydrophobicContact CZ2-CD2 3.56Å; W62-Y122 HydrophobicContact CZ2-CE1 4.38Å; W62-Y122 HydrophobicContact CZ2-CE2 4.03Å; W62-Y122 AromaticContact CZ2-CG 3.47Å; W62-Y122 HydrophobicContact CZ2-CG 3.47Å; W62-Y122 VanDerWaalsContact CZ2-CG 3.47Å; W62-Y122 AromaticContact NE1-CD1 3.97Å; W62-Y122 AromaticContact NE1-CE1 3.66Å; W62-Y122 AromaticContact NE1-CZ 3.73Å; T68-Y122 HydrophobicContact CG2-CE1 4.48Å; T68-Y122 VanDerWaalsContact CG2-OH 3.24Å; T68-Y122 WeakPolarHBondContact CG2-OH 3.37Å; F80-Y122 HydrophobicContact CD2-CD1 4.16Å; F80-Y122 HydrophobicContact CD2-CE1 4.42Å; F80-Y122 HydrophobicContact CE2-CD1 4.09Å; A118-Y122 PolarHBondContact O-N 3.18Å; F119-Y122 HydrophobicContact CD2-CD1 4.47Å; F119-Y122 HydrophobicContact CE2-CD1 4.5Å; F119-Y122 PolarHBondContact O-N 3.35Å; Q120-Y122 VanDerWaalsContact C-N 3.35Å; Q120-Y122 PolarHBondContact O-N 3.03Å; Y122-N124 PolarHBondContact O-N 3.38Å; Y122-D125 PolarHBondContact O-N 3.11Å; Y122-Q126 WeakPolarHBondContact O-CG 3.3Å; Y122-Q126 PolarHBondContact O-N 2.99Å; Y122-Q126 PolarHBondContact OH-NE2 3.31Å
123G92.1Very high79.4Confident2 Ų287.2 Ų87.22%0.02149%0.489CS..Hα-helixtrans-63.9-38.1176.700000114.2F80 F119 Q120 K121 D125 Q126F80-G123 VanDerWaalsContact CE2-CA 3.43Å; F80-G123 VanDerWaalsContact CG-CA 3.43Å; F119-G123 PolarHBondContact O-N 3.5Å; F119-G123 VanDerWaalsContact O-N 3.08Å; Q120-G123 PolarHBondContact O-N 3.32Å; K121-G123 VanDerWaalsContact C-N 3.28Å; K121-G123 PolarHBondContact O-N 3.19Å; G123-D125 VanDerWaalsContact C-N 3.34Å; G123-Q126 PolarHBondContact O-N 3.48Å
124N90.3Very high76.9Confident110 Ų11086.2 Ų86.259%0.58849%0.493SS*.Hα-helixtrans-65.8-38.7176.5-70.1-12.6000111.8Q120 K121 Y122 Q126 I127Q120-N124 PolarHBondContact O-N 3.04Å; K121-N124 PolarHBondContact O-N 2.81Å; K121-N124 VanDerWaalsContact O-N 3.11Å; Y122-N124 PolarHBondContact O-N 3.38Å; N124-Q126 PolarHBondContact O-N 2.95Å; N124-I127 PolarHBondContact O-N 3.29Å
125D89.9Confident74.6Confident116 Ų11691.8 Ų91.862%0.6251%0.508SS*.Hα-helixtrans-68.7-20.1178.7-64.2-22000112.5K121 Y122 G123K121-D125 PolarHBondContact O-N 3.08Å; Y122-D125 PolarHBondContact O-N 3.11Å; G123-D125 VanDerWaalsContact C-N 3.34Å
126Q78.6Confident71.9Confident80 Ų8095.3 Ų95.337%0.37454%0.538SS..THydrogen-bonded Turntrans-82.7-13.7176.6-73.1-164.7-16.700114.7Y122 G123 N124 P128Y122-Q126 WeakPolarHBondContact O-CG 3.3Å; Y122-Q126 PolarHBondContact O-N 2.99Å; Y122-Q126 PolarHBondContact OH-NE2 3.31Å; G123-Q126 PolarHBondContact O-N 3.48Å; N124-Q126 PolarHBondContact O-N 2.95Å; Q126-P128 VanDerWaalsContact O-CD 3.23Å; Q126-P128 WeakPolarHBondContact O-CD 3.23Å
127I65.1Low69.6Low112 Ų112100.5 Ų100.557%0.57457%0.566SS**SBendtrans-70.2116.1172.8-58.3173.5000105.6N124 L129N124-I127 PolarHBondContact O-N 3.29Å; I127-L129 PolarHBondContact O-N 3.32Å
128P56.5Low67.1Low113 Ų113105.6 Ų105.673%0.73458%0.581SS**  trans-54.9119173.3-19.231.1000106.4Q126 A130Q126-P128 VanDerWaalsContact O-CD 3.23Å; Q126-P128 WeakPolarHBondContact O-CD 3.23Å; P128-A130 VanDerWaalsContact C-N 3.31Å; P128-A130 PolarHBondContact O-N 2.83Å
129L53.8Low64.9Low162 Ų162111.9 Ų111.985%0.84860%0.603SS**  trans-52.3111.3161.7-80.498.1000104.2I127 P131I127-L129 PolarHBondContact O-N 3.32Å; L129-P131 VanDerWaalsContact O-N 3.12Å
130A48.3Very low62.2Low80 Ų80120 Ų12066%0.66164%0.642SS**  trans-46128.3166.800000105.4P128 N132P128-A130 VanDerWaalsContact C-N 3.31Å; P128-A130 PolarHBondContact O-N 2.83Å; A130-N132 VanDerWaalsContact C-N 3.32Å; A130-N132 PolarHBondContact O-N 3.16Å
131P44.6Very low59.9Low117 Ų117119.1 Ų119.176%0.7666%0.659SS**  trans-58107.4-178.421.7-29.2000105.8L129 T133L129-P131 VanDerWaalsContact O-N 3.12Å; P131-T133 VanDerWaalsContact C-N 3.29Å; P131-T133 PolarHBondContact O-N 3.08Å
132N44.2Very low57.4Low151 Ų151116.4 Ų116.481%0.80767%0.671SS**  trans-64.8104.8172.1-157.90.4000102.9A130 G134A130-N132 VanDerWaalsContact C-N 3.32Å; A130-N132 PolarHBondContact O-N 3.16Å; N132-G134 PolarHBondContact O-N 3.06Å
133T44.8Very low55.5Low142 Ų142116.2 Ų116.287%0.87169%0.687SS**  trans-70.353.6169.249.70000108.6P131P131-T133 VanDerWaalsContact C-N 3.29Å; P131-T133 PolarHBondContact O-N 3.08Å
134G44.1Very low53.8Low48 Ų48126.1 Ų126.150%0.49573%0.73SS.*  trans-95.5110.2160.300000106.1N132 A136N132-G134 PolarHBondContact O-N 3.06Å; G134-A136 PolarHBondContact O-N 2.86Å
135R47.7Very low52.2Low257 Ų257129.9 Ų129.997%0.9774%0.741SS**  trans-4798.6167.8-79.9171.7142126.3-6.5109.9
136A40Very low51Low85 Ų85128 Ų12870%0.70274%0.738SS**  trans-95.192.7161.800000107.1G134 Q138G134-A136 PolarHBondContact O-N 2.86Å; A136-Q138 PolarHBondContact O-N 2.9Å; A136-Q138 VanDerWaalsContact O-N 3.09Å
137N48.6Very low50.1Low141 Ų141126.7 Ų126.775%0.75475%0.746SS**  trans-67.299164.4-176.318.6000107.6
138Q45.4Very low50.5Low159 Ų159126.7 Ų126.774%0.74375%0.75SS**  trans-119.887.6165.7-81.8-175.79.900108.9A136 M140A136-Q138 PolarHBondContact O-N 2.9Å; A136-Q138 VanDerWaalsContact O-N 3.09Å; Q138-M140 PolarHBondContact O-N 2.73Å; Q138-M140 VanDerWaalsContact O-N 3.11Å
139Q48.7Very low51.2Low178 Ų178126.9 Ų126.983%0.83275%0.745SS**  trans-68.493.7160.6-173.7163.7-22.700108.2
140M40.3Very low52.2Low170 Ų170122.6 Ų122.684%0.83773%0.725SS**  trans-84.2119.6166.7-86.9-95.7-162.700108.6Q138Q138-M140 PolarHBondContact O-N 2.73Å; Q138-M140 VanDerWaalsContact O-N 3.11Å
141G46Very low53.6Low79 Ų79121.5 Ų121.581%0.81472%0.716SS**  trans-77.3152.3-179.300000114
142G42.8Very low55.5Low83 Ų83121.1 Ų121.186%0.85671%0.707SS**  trans178.6109.7164.600000112.9
143G53.5Low57.3Low55 Ų55117.5 Ų117.557%0.56769%0.691SS**  trans119.3109.1155.400000116.9F145G143-F145 PolarHBondContact O-N 2.67Å
144F57.1Low59.2Low210 Ų210112.4 Ų112.492%0.92167%0.666SS**SBendtrans-69.739174.7-81.8-96.2000114.9
145F57.3Low61.3Low189 Ų189114.2 Ų114.283%0.82967%0.668SS**  trans-137.331176-73.1-79.2000112.8G143G143-F145 PolarHBondContact O-N 2.67Å
146S63.8Low63.2Low77 Ų77104.1 Ų104.154%0.53864%0.64SS.*THydrogen-bonded Turntrans-108.423.6-156.4-172.70000116.3T150S146-T150 VanDerWaalsContact O-CG2 3.32Å; S146-T150 WeakPolarHBondContact O-CG2 3.49Å; S146-T150 PolarHBondContact O-OG1 3.24Å; S146-T150 WeakPolarHBondContact OG-CG2 3.38Å
147G60.4Low65.5Low53 Ų53104.2 Ų104.255%0.54663%0.631SS.*THydrogen-bonded Turntrans-101.6-55.5174.200000112.8T150 A151G147-T150 PolarHBondContact O-OG1 3.23Å; G147-A151 WeakPolarHBondContact O-CB 3.46Å; G147-A151 PolarHBondContact O-N 3.07Å
148V73.6Confident67.3Low111 Ų111102.2 Ų102.267%0.67362%0.624SS**Hα-helixtrans-75.4-41.4-176.5177.60000110.8T150 A151 L152V148-T150 PolarHBondContact O-N 3.33Å; V148-A151 PolarHBondContact O-N 3.48Å; V148-L152 HydrophobicContact CG1-CD1 3.79Å; V148-L152 HydrophobicContact CG1-CG 4.2Å; V148-L152 WeakPolarHBondContact O-CB 3.39Å; V148-L152 WeakPolarHBondContact O-CG 3.46Å; V148-L152 PolarHBondContact O-N 3.44Å
149L70.2Confident69.2Low117 Ų11799.7 Ų99.761%0.61362%0.615SS**Hα-helixtrans-66.5-38.3-179.4-168.665.9000112L152 T153L149-L152 PolarHBondContact O-N 3.36Å; L149-T153 WeakPolarHBondContact O-CB 3.27Å; L149-T153 VanDerWaalsContact O-CG2 3.25Å; L149-T153 WeakPolarHBondContact O-CG2 3.15Å; L149-T153 PolarHBondContact O-N 3.45Å; L149-T153 PolarHBondContact O-OG1 3.37Å
150T75.1Confident70.8Confident72 Ų7297 Ų9744%0.44261%0.605SS.*Hα-helixtrans-70.1-36.5176.651.30000112.3S146 G147 V148 T153 G154S146-T150 VanDerWaalsContact O-CG2 3.32Å; S146-T150 WeakPolarHBondContact O-CG2 3.49Å; S146-T150 PolarHBondContact O-OG1 3.24Å; S146-T150 WeakPolarHBondContact OG-CG2 3.38Å; G147-T150 PolarHBondContact O-OG1 3.23Å; V148-T150 PolarHBondContact O-N 3.33Å; T150-T153 WeakPolarHBondContact CA-OG1 3.3Å; T150-T153 PolarHBondContact O-OG1 3.37Å; T150-T153 VanDerWaalsContact O-OG1 3.09Å; T150-G154 PolarHBondContact O-N 3.31Å
151A78.5Confident72.7Confident57 Ų5792.8 Ų92.847%0.47159%0.589SS.*Hα-helixtrans-66.8-43.8173.100000111.6G147 V148 G154 V155G147-A151 WeakPolarHBondContact O-CB 3.46Å; G147-A151 PolarHBondContact O-N 3.07Å; V148-A151 PolarHBondContact O-N 3.48Å; A151-G154 PolarHBondContact O-N 2.89Å; A151-V155 WeakPolarHBondContact O-CG2 3.47Å; A151-V155 PolarHBondContact O-N 3.48Å
152L84Confident74.3Confident109 Ų10996.9 Ų96.957%0.57158%0.581SS**Hα-helixtrans-66.8-41.2179-71.2175.8000112.1V148 L149 V155 A156V148-L152 HydrophobicContact CG1-CD1 3.79Å; V148-L152 HydrophobicContact CG1-CG 4.2Å; V148-L152 WeakPolarHBondContact O-CB 3.39Å; V148-L152 WeakPolarHBondContact O-CG 3.46Å; V148-L152 PolarHBondContact O-N 3.44Å; L149-L152 PolarHBondContact O-N 3.36Å; L152-V155 PolarHBondContact O-N 3.04Å; L152-A156 VanDerWaalsContact O-CB 3.29Å; L152-A156 WeakPolarHBondContact O-CB 3.42Å; L152-A156 PolarHBondContact O-N 3.34Å
153T81.1Confident76Confident75 Ų7598.9 Ų98.946%0.4657%0.568SS.*Hα-helixtrans-67.1-39.4174.555.80000111.4L149 T150 A156 V157L149-T153 WeakPolarHBondContact O-CB 3.27Å; L149-T153 VanDerWaalsContact O-CG2 3.25Å; L149-T153 WeakPolarHBondContact O-CG2 3.15Å; L149-T153 PolarHBondContact O-N 3.45Å; L149-T153 PolarHBondContact O-OG1 3.37Å; T150-T153 WeakPolarHBondContact CA-OG1 3.3Å; T150-T153 PolarHBondContact O-OG1 3.37Å; T150-T153 VanDerWaalsContact O-OG1 3.09Å; T153-A156 PolarHBondContact O-N 3.15Å; T153-V157 WeakPolarHBondContact O-CB 3.24Å; T153-V157 VanDerWaalsContact O-CG2 3.24Å; T153-V157 WeakPolarHBondContact O-CG2 3.44Å; T153-V157 PolarHBondContact O-N 3.3Å
154G85.2Confident76.8Confident35 Ų35103.2 Ų103.236%0.36157%0.567SS.*Hα-helixtrans-59.1-48.3174.200000112.5T150 A151 V157 V158T150-G154 PolarHBondContact O-N 3.31Å; A151-G154 PolarHBondContact O-N 2.89Å; G154-V157 PolarHBondContact O-N 3.13Å; G154-V158 VanDerWaalsContact O-CG2 3.31Å; G154-V158 WeakPolarHBondContact O-CG2 3.47Å; G154-V158 PolarHBondContact O-N 3.29Å
155V88Confident77Confident87 Ų8796.8 Ų96.853%0.52755%0.548SS..Hα-helixtrans-64.4-42.7176.9173.70000111.1A151 L152 V157 V158 L159A151-V155 WeakPolarHBondContact O-CG2 3.47Å; A151-V155 PolarHBondContact O-N 3.48Å; L152-V155 PolarHBondContact O-N 3.04Å; V155-V157 PolarHBondContact O-N 2.91Å; V155-V158 PolarHBondContact O-N 3.44Å; V155-L159 HydrophobicContact CG1-CD1 3.9Å; V155-L159 HydrophobicContact CG1-CG 4.26Å; V155-L159 WeakPolarHBondContact O-CB 3.3Å; V155-L159 VanDerWaalsContact O-CG 3.27Å; V155-L159 WeakPolarHBondContact O-CG 3.49Å; V155-L159 PolarHBondContact O-N 2.89Å
156A86.8Confident77.2Confident45 Ų4591 Ų9137%0.37253%0.531SS..Hα-helixtrans-62.4-41.8177.500000112.2L152 T153 L159 L160L152-A156 VanDerWaalsContact O-CB 3.29Å; L152-A156 WeakPolarHBondContact O-CB 3.42Å; L152-A156 PolarHBondContact O-N 3.34Å; T153-A156 PolarHBondContact O-N 3.15Å; A156-L159 PolarHBondContact O-N 2.93Å; A156-L160 WeakPolarHBondContact O-CB 3.48Å; A156-L160 WeakPolarHBondContact O-CG 3.25Å; A156-L160 PolarHBondContact O-N 2.75Å
157V88.1Confident76.8Confident86 Ų8696.8 Ų96.852%0.52154%0.541SS..Hα-helixtrans-64.5-43.6175.7171.40000110.7T153 G154 V155 L159 L160 V161T153-V157 WeakPolarHBondContact O-CB 3.24Å; T153-V157 VanDerWaalsContact O-CG2 3.24Å; T153-V157 WeakPolarHBondContact O-CG2 3.44Å; T153-V157 PolarHBondContact O-N 3.3Å; G154-V157 PolarHBondContact O-N 3.13Å; V155-V157 PolarHBondContact O-N 2.91Å; V157-L159 VanDerWaalsContact C-N 3.34Å; V157-L159 PolarHBondContact O-N 2.99Å; V157-L160 PolarHBondContact O-N 3.19Å; V157-V161 HydrophobicContact CG1-CG2 4.27Å; V157-V161 WeakPolarHBondContact O-CB 3.4Å; V157-V161 VanDerWaalsContact O-CG2 3.25Å; V157-V161 WeakPolarHBondContact O-CG2 3.2Å; V157-V161 PolarHBondContact O-N 3.19Å
158V87.1Confident76.4Confident99 Ų9998.3 Ų98.360%0.653%0.534SS*.Hα-helixtrans-62.4-41.5176.2171.50000111.2G154 V155 V161 Y162G154-V158 VanDerWaalsContact O-CG2 3.31Å; G154-V158 WeakPolarHBondContact O-CG2 3.47Å; G154-V158 PolarHBondContact O-N 3.29Å; V155-V158 PolarHBondContact O-N 3.44Å; V158-V161 PolarHBondContact O-N 3.44Å; V158-Y162 WeakPolarHBondContact O-CB 3.35Å; V158-Y162 PolarHBondContact O-N 3.05Å
159L86.4Confident75.3Confident107 Ų10797.6 Ų97.656%0.5653%0.534SS*.Hα-helixtrans-67.8-38.9176.8-70.5175.1000112.3V155 A156 V157 Y162 H163V155-L159 HydrophobicContact CG1-CD1 3.9Å; V155-L159 HydrophobicContact CG1-CG 4.26Å; V155-L159 WeakPolarHBondContact O-CB 3.3Å; V155-L159 VanDerWaalsContact O-CG 3.27Å; V155-L159 WeakPolarHBondContact O-CG 3.49Å; V155-L159 PolarHBondContact O-N 2.89Å; A156-L159 PolarHBondContact O-N 2.93Å; V157-L159 VanDerWaalsContact C-N 3.34Å; V157-L159 PolarHBondContact O-N 2.99Å; L159-Y162 PolarHBondContact O-N 3.24Å; L159-H163 WeakPolarHBondContact O-CB 3.44Å; L159-H163 PolarHBondContact O-N 3.12Å
160L82Confident74.4Confident121 Ų12199.9 Ų99.963%0.63454%0.542SS*.Hα-helixtrans-67.3-42.1175.4-74.1171.1000111.6A156 V157 H163 W164A156-L160 WeakPolarHBondContact O-CB 3.48Å; A156-L160 WeakPolarHBondContact O-CG 3.25Å; A156-L160 PolarHBondContact O-N 2.75Å; V157-L160 PolarHBondContact O-N 3.19Å; L160-H163 PolarHBondContact O-N 3.39Å; L160-W164 WeakPolarHBondContact O-CB 3.43Å; L160-W164 PolarHBondContact O-N 3.41Å
161V79.3Confident73.1Confident81 Ų81104.8 Ų104.849%0.49156%0.559SS.*Hα-helixtrans-66.5-41.8174.6170.80000110.5V157 V158 H163 W164 S165V157-V161 HydrophobicContact CG1-CG2 4.27Å; V157-V161 WeakPolarHBondContact O-CB 3.4Å; V157-V161 VanDerWaalsContact O-CG2 3.25Å; V157-V161 WeakPolarHBondContact O-CG2 3.2Å; V157-V161 PolarHBondContact O-N 3.19Å; V158-V161 PolarHBondContact O-N 3.44Å; V161-H163 VanDerWaalsContact C-N 3.34Å; V161-W164 PolarHBondContact O-N 2.98Å; V161-S165 WeakPolarHBondContact O-CA 3.39Å; V161-S165 WeakPolarHBondContact O-CB 3.36Å; V161-S165 PolarHBondContact O-N 3.07Å
162Y80.6Confident71.8Confident165 Ų165105.8 Ų105.865%0.64756%0.556SS**Hα-helixtrans-63.8-41.9175.6-175.1-98.1000111.1V158 L159 S166V158-Y162 WeakPolarHBondContact O-CB 3.35Å; V158-Y162 PolarHBondContact O-N 3.05Å; L159-Y162 PolarHBondContact O-N 3.24Å; Y162-S166 WeakPolarHBondContact O-CB 3.39Å; Y162-S166 PolarHBondContact O-N 3.1Å; Y162-S166 PolarHBondContact O-OG 2.88Å
163H78.5Confident70.5Confident126 Ų126106.9 Ų106.958%0.58356%0.562SS**Hα-helixtrans-72.6-34.5178.5-168.8-73.2000112.5L159 L160 V161 R167L159-H163 WeakPolarHBondContact O-CB 3.44Å; L159-H163 PolarHBondContact O-N 3.12Å; L160-H163 PolarHBondContact O-N 3.39Å; V161-H163 VanDerWaalsContact C-N 3.34Å; H163-R167 VanDerWaalsContact O-CB 3.27Å; H163-R167 WeakPolarHBondContact O-CB 3.19Å; H163-R167 PolarHBondContact O-N 2.74Å; H163-R167 VanDerWaalsContact O-N 3.12Å
164W68.9Low69.3Low146 Ų146104.8 Ų104.855%0.55355%0.548SS*.Hα-helixtrans-71-45.6173.7-177.259.4000110.9L160 V161 S166 R167 E168L160-W164 WeakPolarHBondContact O-CB 3.43Å; L160-W164 PolarHBondContact O-N 3.41Å; V161-W164 PolarHBondContact O-N 2.98Å; W164-S166 VanDerWaalsContact C-N 3.29Å; W164-S166 PolarHBondContact O-N 3.21Å; W164-R167 CarbonylContact O-C 3.46Å; W164-R167 WeakPolarHBondContact O-CA 3.19Å; W164-R167 PolarHBondContact O-N 2.83Å; W164-E168 VanDerWaalsContact CE2-OE2 3.27Å; W164-E168 HydrophobicContact CZ2-CG 4.4Å; W164-E168 WeakPolarHBondContact CZ2-OE2 3.32Å; W164-E168 PolarHBondContact NE1-OE2 2.6Å; W164-E168 WeakPolarHBondContact O-CB 3.47Å; W164-E168 PolarHBondContact O-N 3.05Å
165S63.1Low68.1Low74 Ų74108.2 Ų108.252%0.51756%0.562SS.*Hα-helixtrans-63.4-35174.3-174.50000112.3V161 R167V161-S165 WeakPolarHBondContact O-CA 3.39Å; V161-S165 WeakPolarHBondContact O-CB 3.36Å; V161-S165 PolarHBondContact O-N 3.07Å; S165-R167 PolarHBondContact O-N 2.8Å
166S61.3Low66.8Low68 Ų68111.5 Ų111.548%0.47657%0.571SS.*THydrogen-bonded Turntrans-74.2-13.1172.5-58.70000112.9Y162 W164Y162-S166 WeakPolarHBondContact O-CB 3.39Å; Y162-S166 PolarHBondContact O-N 3.1Å; Y162-S166 PolarHBondContact O-OG 2.88Å; W164-S166 VanDerWaalsContact C-N 3.29Å; W164-S166 PolarHBondContact O-N 3.21Å
167R55.2Low66.2Low198 Ų198112.3 Ų112.375%0.74757%0.566SS**THydrogen-bonded Turntrans-102.8-17.8177.5-161.616985.6163.45.3113.3H163 W164 S165H163-R167 VanDerWaalsContact O-CB 3.27Å; H163-R167 WeakPolarHBondContact O-CB 3.19Å; H163-R167 PolarHBondContact O-N 2.74Å; H163-R167 VanDerWaalsContact O-N 3.12Å; W164-R167 CarbonylContact O-C 3.46Å; W164-R167 WeakPolarHBondContact O-CA 3.19Å; W164-R167 PolarHBondContact O-N 2.83Å; S165-R167 PolarHBondContact O-N 2.8Å
168E52.3Low65.6Low86 Ų86111.1 Ų111.140%0.40257%0.565SS.*SBendtrans-105.816.6-176.8-155.391.2-135.800112.7W164 E170W164-E168 VanDerWaalsContact CE2-OE2 3.27Å; W164-E168 HydrophobicContact CZ2-CG 4.4Å; W164-E168 WeakPolarHBondContact CZ2-OE2 3.32Å; W164-E168 PolarHBondContact NE1-OE2 2.6Å; W164-E168 WeakPolarHBondContact O-CB 3.47Å; W164-E168 PolarHBondContact O-N 3.05Å; E168-E170 PolarHBondContact O-N 3.07Å
169S49.9Very low65.2Low95 Ų95110.3 Ų110.366%0.66456%0.561SS**THydrogen-bonded Turntrans-80.924.4-171.279.10000115.6
170E50.9Low65Low166 Ų166107.9 Ų107.978%0.77656%0.556SS**THydrogen-bonded Turntrans-132.2-9.2178.2-101-162.9114.800117.9E168E168-E170 PolarHBondContact O-N 3.07Å
171H48.2Very low65Low174 Ų174109.2 Ų109.281%0.80656%0.557SS**THydrogen-bonded Turntrans-128.75.6-175.6-69.5-37.9000118.2
172D51.1Low65.3Low78 Ų78106.9 Ų106.942%0.41754%0.539SS..  trans-115.121.8-171.2-116.5-7.5000116.2L174D172-L174 PolarHBondContact O-N 3.39Å
173L55.9Low65.6Low132 Ų132101.8 Ų101.869%0.69153%0.525SS*.Hα-helixtrans-76.3-20.7-175.5-97.9138.6000115.2
174L55.9Low65.9Low32 Ų3296.2 Ų96.217%0.16850%0.501CS..Hα-helixtrans-88.8-26.7-172.8-63.9176.9000114.2D172 W182 E186 L189D172-L174 PolarHBondContact O-N 3.39Å; L174-W182 WeakPolarHBondContact O-CZ2 3.5Å; L174-E186 HydrophobicContact CD2-CB 3.68Å; L174-E186 HydrophobicContact CD2-CG 3.79Å; L174-L189 HydrophobicContact CD1-CB 3.69Å
175V59.6Low66.7Low107 Ų10794.6 Ų94.665%0.64850%0.5SS*.Hα-helixtrans-79.4-27.6-176.9-176.40000111.8
176H62.3Low67.8Low156 Ų15692.6 Ų92.672%0.72248%0.482SS*.Hα-helixtrans-96.2-15-174.5-68.535.6000113
177K73.4Confident69Low61 Ų6189.9 Ų89.927%0.26546%0.463SS..SBendtrans-83121.7175.2-162.9179.9-168.7-1720109V179 K181 W182 E186K177-V179 PolarHBondContact O-N 2.95Å; K177-K181 WeakPolarHBondContact CE-O 3.48Å; K177-K181 HydrophobicContact CG-CB 4.23Å; K177-K181 PolarHBondContact NZ-O 3.37Å; K177-K181 VanDerWaalsContact NZ-O 3.11Å; K177-W182 PolarHBondContact O-NE1 3.29Å; K177-E186 WeakPolarHBondContact CD-OE1 3.48Å; K177-E186 WeakPolarHBondContact CD-OE2 3.4Å; K177-E186 IonicContact NZ-OE1 2.67Å; K177-E186 PolarHBondContact NZ-OE1 2.88Å; K177-E186 IonicContact NZ-OE2 2.64Å; K177-E186 PolarHBondContact NZ-OE2 2.87Å
178A75.9Confident70.5Confident61 Ų6180.8 Ų80.850%0.50443%0.429SS..  trans-57.5135.6174.800000110.9A180 K181 W182A178-A180 PolarHBondContact O-N 2.99Å; A178-A180 VanDerWaalsContact O-N 3.1Å; A178-K181 WeakPolarHBondContact O-CB 3.08Å; A178-K181 PolarHBondContact O-N 3.33Å; A178-W182 VanDerWaalsContact O-CD1 3.27Å
179V79.4Confident72.1Confident83 Ų8381.1 Ų81.150%0.50343%0.433SS..G310 helixtrans-50.3-40.6-176.7179.30000111.9K177 K181 W182 G212K177-V179 PolarHBondContact O-N 2.95Å; V179-K181 PolarHBondContact O-N 3.16Å; V179-W182 HydrophobicContact CB-CD2 4.48Å; V179-W182 HydrophobicContact CG1-CD2 4.39Å; V179-W182 HydrophobicContact CG1-CE3 4.44Å; V179-W182 HydrophobicContact CG2-CD2 4.45Å; V179-W182 HydrophobicContact CG2-CH2 4.3Å; V179-W182 HydrophobicContact CG2-CZ2 3.95Å; V179-W182 VanDerWaalsContact O-CB 3.32Å; V179-W182 WeakPolarHBondContact O-CB 3.12Å; V179-W182 PolarHBondContact O-N 3.42Å; V179-G212 CarbonylContact C-O 3.53Å; V179-G212 CarbonylContact O-C 3.59Å; V179-G212 WeakPolarHBondContact O-CA 3.32Å
180A80.5Confident73.9Confident56 Ų5681.6 Ų81.646%0.46342%0.42SS..G310 helixtrans-58.5-9.9177.100000116.1A178 G212 R213A178-A180 PolarHBondContact O-N 2.99Å; A178-A180 VanDerWaalsContact O-N 3.1Å; A180-G212 WeakPolarHBondContact CA-O 3.22Å; A180-R213 WeakPolarHBondContact O-CG 3.39Å; A180-R213 PolarHBondContact O-NE 3.37Å
181K82.5Confident75.5Confident149 Ų14974.2 Ų74.265%0.64839%0.386SS*.G310 helixtrans-112.22.8177.3-61.7-177.5179.4178.40112.9K177 A178 V179K177-K181 WeakPolarHBondContact CE-O 3.48Å; K177-K181 HydrophobicContact CG-CB 4.23Å; K177-K181 PolarHBondContact NZ-O 3.37Å; K177-K181 VanDerWaalsContact NZ-O 3.11Å; A178-K181 WeakPolarHBondContact O-CB 3.08Å; A178-K181 PolarHBondContact O-N 3.33Å; V179-K181 PolarHBondContact O-N 3.16Å
182W85.3Confident77.2Confident31 Ų3170 Ų7012%0.11737%0.367CS..  trans-68.4138.1-178.7-70.911000110.6L174 K177 A178 V179 E186 V187 W190 N211 G212L174-W182 WeakPolarHBondContact O-CZ2 3.5Å; K177-W182 PolarHBondContact O-NE1 3.29Å; A178-W182 VanDerWaalsContact O-CD1 3.27Å; V179-W182 HydrophobicContact CB-CD2 4.48Å; V179-W182 HydrophobicContact CG1-CD2 4.39Å; V179-W182 HydrophobicContact CG1-CE3 4.44Å; V179-W182 HydrophobicContact CG2-CD2 4.45Å; V179-W182 HydrophobicContact CG2-CH2 4.3Å; V179-W182 HydrophobicContact CG2-CZ2 3.95Å; V179-W182 VanDerWaalsContact O-CB 3.32Å; V179-W182 WeakPolarHBondContact O-CB 3.12Å; V179-W182 PolarHBondContact O-N 3.42Å; W182-E186 WeakPolarHBondContact CA-OE2 3.37Å; W182-E186 HydrophobicContact CB-CB 4.38Å; W182-V187 HydrophobicContact CB-CG2 4.1Å; W182-V187 HydrophobicContact CE3-CG2 3.93Å; W182-W190 HydrophobicContact CH2-CB 4.08Å; W182-W190 AromaticContact CH2-CD1 3.84Å; W182-W190 HydrophobicContact CH2-CD2 4.3Å; W182-W190 AromaticContact CH2-CG 3.79Å; W182-W190 HydrophobicContact CH2-CG 3.79Å; W182-W190 HydrophobicContact CZ3-CB 3.75Å; W182-W190 AromaticContact CZ3-CD2 3.97Å; W182-W190 HydrophobicContact CZ3-CD2 3.97Å; W182-W190 HydrophobicContact CZ3-CE3 4.38Å; W182-W190 AromaticContact CZ3-CG 3.67Å; W182-W190 HydrophobicContact CZ3-CG 3.67Å; W182-N211 WeakPolarHBondContact O-CB 3.44Å; W182-G212 PolarHBondContact O-N 3.35Å
183T86.7Confident78.7Confident58 Ų5873.1 Ų73.136%0.35638%0.379SS..  trans-85.1169.1167.975.70000110.2E185 E186 V187T183-E185 WeakPolarHBondContact CB-OE2 3.4Å; T183-E185 PolarHBondContact O-N 3.21Å; T183-E185 PolarHBondContact OG1-OE2 2.8Å; T183-E186 PolarHBondContact N-OE2 3.06Å; T183-E186 PolarHBondContact O-N 2.78Å; T183-E186 PolarHBondContact OG1-N 3.42Å; T183-V187 WeakPolarHBondContact O-CG2 3.04Å; T183-V187 PolarHBondContact O-N 2.87Å
184A86.3Confident80Confident9 Ų970 Ų707%0.07436%0.362CS..Hα-helixtrans-64.1-31.6-179.800000112.4V188 V210A184-V188 WeakPolarHBondContact O-CG2 3.49Å; A184-V188 PolarHBondContact O-N 3.48Å; A184-V188 VanDerWaalsContact O-N 3.16Å; A184-V210 VanDerWaalsContact CA-O 3.25Å; A184-V210 WeakPolarHBondContact CA-O 3.32Å; A184-V210 WeakPolarHBondContact CB-O 3.27Å
185E85.1Confident81.2Confident113 Ų11369.6 Ų69.653%0.52837%0.366SS..Hα-helixtrans-69.2-38.9176.5-54.674.8-161.700111.3T183 V188 L189T183-E185 WeakPolarHBondContact CB-OE2 3.4Å; T183-E185 PolarHBondContact O-N 3.21Å; T183-E185 PolarHBondContact OG1-OE2 2.8Å; E185-V188 PolarHBondContact O-N 3.47Å; E185-L189 WeakPolarHBondContact O-CG 3.15Å; E185-L189 PolarHBondContact O-N 2.68Å
186E85.7Confident82.5Confident32 Ų3270.1 Ų70.115%0.1537%0.372CS..Hα-helixtrans-69.6-37.9177-69.4173.1151.900112.4L174 K177 W182 T183 V188 L189 W190L174-E186 HydrophobicContact CD2-CB 3.68Å; L174-E186 HydrophobicContact CD2-CG 3.79Å; K177-E186 WeakPolarHBondContact CD-OE1 3.48Å; K177-E186 WeakPolarHBondContact CD-OE2 3.4Å; K177-E186 IonicContact NZ-OE1 2.67Å; K177-E186 PolarHBondContact NZ-OE1 2.88Å; K177-E186 IonicContact NZ-OE2 2.64Å; K177-E186 PolarHBondContact NZ-OE2 2.87Å; W182-E186 WeakPolarHBondContact CA-OE2 3.37Å; W182-E186 HydrophobicContact CB-CB 4.38Å; T183-E186 PolarHBondContact N-OE2 3.06Å; T183-E186 PolarHBondContact O-N 2.78Å; T183-E186 PolarHBondContact OG1-N 3.42Å; E186-V188 VanDerWaalsContact C-N 3.26Å; E186-V188 PolarHBondContact O-N 3.09Å; E186-L189 PolarHBondContact O-N 2.64Å; E186-W190 PolarHBondContact O-N 2.67Å
187V86.4Confident83.7Confident11 Ų1169.9 Ų69.97%0.06737%0.365CS..Hα-helixtrans-60.3-39.8171.9172.40000110.7W182 T183 W190 L191 F205W182-V187 HydrophobicContact CB-CG2 4.1Å; W182-V187 HydrophobicContact CE3-CG2 3.93Å; T183-V187 WeakPolarHBondContact O-CG2 3.04Å; T183-V187 PolarHBondContact O-N 2.87Å; V187-W190 PolarHBondContact O-N 3.11Å; V187-L191 HydrophobicContact CG1-CD1 4.41Å; V187-L191 WeakPolarHBondContact O-CG 3.27Å; V187-L191 PolarHBondContact O-N 3.06Å; V187-F205 HydrophobicContact CG1-CD1 3.87Å; V187-F205 HydrophobicContact CG1-CE1 4.35Å
188V87.9Confident84.2Confident6 Ų667 Ų674%0.03635%0.352CS..Hα-helixtrans-70.7-41.9179.6169.20000111.6A184 E185 E186 W190 L191 E192 R202 F205 L206A184-V188 WeakPolarHBondContact O-CG2 3.49Å; A184-V188 PolarHBondContact O-N 3.48Å; A184-V188 VanDerWaalsContact O-N 3.16Å; E185-V188 PolarHBondContact O-N 3.47Å; E186-V188 VanDerWaalsContact C-N 3.26Å; E186-V188 PolarHBondContact O-N 3.09Å; V188-W190 VanDerWaalsContact C-N 3.25Å; V188-W190 PolarHBondContact O-N 3.5Å; V188-L191 WeakPolarHBondContact O-CB 3.24Å; V188-L191 PolarHBondContact O-N 2.86Å; V188-L191 VanDerWaalsContact O-N 3.13Å; V188-E192 WeakPolarHBondContact O-CG 3.41Å; V188-E192 PolarHBondContact O-N 2.75Å; V188-R202 HydrophobicContact CG1-CG 3.78Å; V188-F205 HydrophobicContact CG2-CB 4.28Å; V188-L206 HydrophobicContact CB-CD2 4.45Å; V188-L206 HydrophobicContact CG2-CD2 3.79Å; V188-L206 HydrophobicContact CG2-CG 3.76Å
189L85.5Confident84.5Confident94 Ų9467 Ų6749%0.49235%0.349SS..Hα-helixtrans-59.5-37.9172.7-72.8169.7000111.8L174 E185 E186L174-L189 HydrophobicContact CD1-CB 3.69Å; E185-L189 WeakPolarHBondContact O-CG 3.15Å; E185-L189 PolarHBondContact O-N 2.68Å; E186-L189 PolarHBondContact O-N 2.64Å
190W86.3Confident84.9Confident104 Ų10470 Ų7039%0.39436%0.361SS..Hα-helixtrans-67.2-42.4172.6172.977.2000112.7W182 E186 V187 V188 E192 Q193 L194W182-W190 HydrophobicContact CH2-CB 4.08Å; W182-W190 AromaticContact CH2-CD1 3.84Å; W182-W190 HydrophobicContact CH2-CD2 4.3Å; W182-W190 AromaticContact CH2-CG 3.79Å; W182-W190 HydrophobicContact CH2-CG 3.79Å; W182-W190 HydrophobicContact CZ3-CB 3.75Å; W182-W190 AromaticContact CZ3-CD2 3.97Å; W182-W190 HydrophobicContact CZ3-CD2 3.97Å; W182-W190 HydrophobicContact CZ3-CE3 4.38Å; W182-W190 AromaticContact CZ3-CG 3.67Å; W182-W190 HydrophobicContact CZ3-CG 3.67Å; E186-W190 PolarHBondContact O-N 2.67Å; V187-W190 PolarHBondContact O-N 3.11Å; V188-W190 VanDerWaalsContact C-N 3.25Å; V188-W190 PolarHBondContact O-N 3.5Å; W190-E192 PolarHBondContact O-N 3.11Å; W190-Q193 VanDerWaalsContact O-CB 3.3Å; W190-Q193 WeakPolarHBondContact O-CB 3.25Å; W190-Q193 PolarHBondContact O-N 2.75Å; W190-L194 HydrophobicContact CD2-CD1 4.44Å; W190-L194 HydrophobicContact CE3-CD1 4.2Å; W190-L194 HydrophobicContact CH2-CD1 3.57Å; W190-L194 HydrophobicContact CH2-CG 4.46Å; W190-L194 HydrophobicContact CZ2-CD1 3.79Å; W190-L194 HydrophobicContact CZ2-CD2 3.92Å; W190-L194 HydrophobicContact CZ2-CG 4.21Å; W190-L194 HydrophobicContact CZ3-CD1 3.77Å
191L86.3Confident85.2Confident12 Ų1272.5 Ų72.56%0.06336%0.359CS..Hα-helixtrans-57.5-38.5176.9-78.7171.1000111.8V187 V188 Q193 L194 A198 F205V187-L191 HydrophobicContact CG1-CD1 4.41Å; V187-L191 WeakPolarHBondContact O-CG 3.27Å; V187-L191 PolarHBondContact O-N 3.06Å; V188-L191 WeakPolarHBondContact O-CB 3.24Å; V188-L191 PolarHBondContact O-N 2.86Å; V188-L191 VanDerWaalsContact O-N 3.13Å; L191-Q193 PolarHBondContact O-N 3.39Å; L191-L194 HydrophobicContact CD2-CD1 4.16Å; L191-L194 WeakPolarHBondContact O-CB 3.14Å; L191-L194 PolarHBondContact O-N 3.43Å; L191-L194 VanDerWaalsContact O-N 3.15Å; L191-A198 HydrophobicContact CB-CB 4.45Å; L191-A198 HydrophobicContact CD2-CB 4.34Å; L191-A198 WeakPolarHBondContact O-CB 3.2Å; L191-F205 HydrophobicContact CD1-CB 4.34Å; L191-F205 HydrophobicContact CD1-CD1 3.7Å; L191-F205 HydrophobicContact CD1-CE1 4.12Å; L191-F205 HydrophobicContact CD1-CG 3.98Å
192E82.1Confident85.4Confident86 Ų8669.3 Ų69.340%0.40234%0.343SS..Hα-helixtrans-61.8-30.5176.2-68177.8-128.900113.3V188 W190 L194 G195 R202V188-E192 WeakPolarHBondContact O-CG 3.41Å; V188-E192 PolarHBondContact O-N 2.75Å; W190-E192 PolarHBondContact O-N 3.11Å; E192-L194 VanDerWaalsContact C-N 3.29Å; E192-L194 PolarHBondContact O-N 3.43Å; E192-G195 PolarHBondContact O-N 2.92Å; E192-R202 VanDerWaalsContact CD-CZ 3.41Å; E192-R202 VanDerWaalsContact CD-NH1 3.28Å; E192-R202 IonicContact OE1-CZ 3.37Å; E192-R202 IonicContact OE1-NH1 3.71Å; E192-R202 PolarHBondContact OE1-NH1 3.39Å; E192-R202 IonicContact OE1-NH2 3.93Å; E192-R202 PolarHBondContact OE1-NH2 2.88Å; E192-R202 IonicContact OE2-CZ 2.81Å; E192-R202 IonicContact OE2-NH1 2.6Å; E192-R202 IonicContact OE2-NH2 3.96Å; E192-R202 PolarHBondContact OE2-NH2 3.46Å
193Q82.9Confident85.5Confident143 Ų14375.7 Ų75.767%0.66837%0.374SS*.Hα-helixtrans-74.5-18.4179.2-157.916912.400112.8W190 L191 G195W190-Q193 VanDerWaalsContact O-CB 3.3Å; W190-Q193 WeakPolarHBondContact O-CB 3.25Å; W190-Q193 PolarHBondContact O-N 2.75Å; L191-Q193 PolarHBondContact O-N 3.39Å; Q193-G195 VanDerWaalsContact C-N 3.27Å; Q193-G195 PolarHBondContact O-N 3.12Å
194L83.7Confident85.6Confident65 Ų6580.2 Ų80.234%0.3439%0.385SS..THydrogen-bonded Turntrans-78.6-8.8177.9-60.6179.3000113.9W190 L191 E192 W197 A198W190-L194 HydrophobicContact CD2-CD1 4.44Å; W190-L194 HydrophobicContact CE3-CD1 4.2Å; W190-L194 HydrophobicContact CH2-CD1 3.57Å; W190-L194 HydrophobicContact CH2-CG 4.46Å; W190-L194 HydrophobicContact CZ2-CD1 3.79Å; W190-L194 HydrophobicContact CZ2-CD2 3.92Å; W190-L194 HydrophobicContact CZ2-CG 4.21Å; W190-L194 HydrophobicContact CZ3-CD1 3.77Å; L191-L194 HydrophobicContact CD2-CD1 4.16Å; L191-L194 WeakPolarHBondContact O-CB 3.14Å; L191-L194 PolarHBondContact O-N 3.43Å; L191-L194 VanDerWaalsContact O-N 3.15Å; E192-L194 VanDerWaalsContact C-N 3.29Å; E192-L194 PolarHBondContact O-N 3.43Å; L194-W197 HydrophobicContact CB-CZ2 3.75Å; L194-W197 HydrophobicContact CD1-CH2 4.03Å; L194-W197 HydrophobicContact CD1-CZ2 3.98Å; L194-W197 HydrophobicContact CG-CZ2 4.48Å; L194-W197 PolarHBondContact O-NE1 2.82Å; L194-A198 HydrophobicContact CB-CB 4.02Å
195G81.8Confident85.7Confident24 Ų2482.3 Ų82.325%0.24739%0.392CS..  trans104.7-179.8175.500000114.7E192 Q193 W197 A198E192-G195 PolarHBondContact O-N 2.92Å; Q193-G195 VanDerWaalsContact C-N 3.27Å; Q193-G195 PolarHBondContact O-N 3.12Å; G195-W197 VanDerWaalsContact C-N 3.25Å; G195-W197 PolarHBondContact O-N 3.4Å; G195-W197 VanDerWaalsContact O-N 3.08Å; G195-A198 PolarHBondContact O-N 3.47Å
196P85.7Confident85.9Confident118 Ų11880.5 Ų80.577%0.76639%0.386SS*.G310 helixtrans-58.9-30-166-27.135000115.2A198 S199P196-A198 VanDerWaalsContact C-N 3.25Å; P196-A198 PolarHBondContact O-N 2.66Å; P196-S199 WeakPolarHBondContact O-CB 3.17Å; P196-S199 PolarHBondContact O-N 2.8Å; P196-S199 PolarHBondContact O-OG 2.76Å
197W87.6Confident86.1Confident152 Ų15283.3 Ų83.358%0.57641%0.409SS*.G310 helixtrans-64.2-29.1179.868.3-93.5000112.9L194 G195 Y201L194-W197 HydrophobicContact CB-CZ2 3.75Å; L194-W197 HydrophobicContact CD1-CH2 4.03Å; L194-W197 HydrophobicContact CD1-CZ2 3.98Å; L194-W197 HydrophobicContact CG-CZ2 4.48Å; L194-W197 PolarHBondContact O-NE1 2.82Å; G195-W197 VanDerWaalsContact C-N 3.25Å; G195-W197 PolarHBondContact O-N 3.4Å; G195-W197 VanDerWaalsContact O-N 3.08Å; W197-Y201 HydrophobicContact CE3-CE2 4.18Å; W197-Y201 HydrophobicContact CZ3-CE2 4.13Å
198A84.6Confident86.3Confident0 Ų088 Ų880%043%0.43CS..G310 helixtrans-81-17.7-176.300000112.9L191 L194 G195 P196 L200 Y201L191-A198 HydrophobicContact CB-CB 4.45Å; L191-A198 HydrophobicContact CD2-CB 4.34Å; L191-A198 WeakPolarHBondContact O-CB 3.2Å; L194-A198 HydrophobicContact CB-CB 4.02Å; G195-A198 PolarHBondContact O-N 3.47Å; P196-A198 VanDerWaalsContact C-N 3.25Å; P196-A198 PolarHBondContact O-N 2.66Å; A198-L200 PolarHBondContact O-N 3.31Å; A198-L200 VanDerWaalsContact O-N 3.16Å; A198-Y201 PolarHBondContact O-N 2.8Å
199S81.9Confident86.3Confident62 Ų6297 Ų9743%0.43446%0.463SS..G310 helixtrans-60-27-179.9670000113.6P196 Y201 R202P196-S199 WeakPolarHBondContact O-CB 3.17Å; P196-S199 PolarHBondContact O-N 2.8Å; P196-S199 PolarHBondContact O-OG 2.76Å; S199-Y201 PolarHBondContact O-N 2.82Å; S199-R202 VanDerWaalsContact O-CB 3.27Å; S199-R202 WeakPolarHBondContact O-CB 3.34Å; S199-R202 PolarHBondContact O-N 3.49Å
200L88.4Confident86.3Confident144 Ų14494.7 Ų94.775%0.75445%0.453SS*.G310 helixtrans-63.1-22.6177.1-66.3169.4000113.2A198A198-L200 PolarHBondContact O-N 3.31Å; A198-L200 VanDerWaalsContact O-N 3.16Å
201Y85.9Confident86.4Confident109 Ų10993.1 Ų93.143%0.42745%0.452SS..G310 helixtrans-93.4-9.7-177.9-59.5-79.3000113.1W197 A198 S199 R204 F205W197-Y201 HydrophobicContact CE3-CE2 4.18Å; W197-Y201 HydrophobicContact CZ3-CE2 4.13Å; A198-Y201 PolarHBondContact O-N 2.8Å; S199-Y201 PolarHBondContact O-N 2.82Å; Y201-R204 PolarHBondContact O-N 3.49Å; Y201-F205 HydrophobicContact CD1-CE2 4.33Å; Y201-F205 HydrophobicContact CG-CE2 4.49Å; Y201-F205 WeakPolarHBondContact O-CB 3.38Å; Y201-F205 VanDerWaalsContact O-CD2 3.24Å; Y201-F205 WeakPolarHBondContact O-CD2 3.29Å; Y201-F205 PolarHBondContact O-N 2.84Å
202R86.9Confident86.2Confident82 Ų8293.6 Ų93.631%0.30946%0.46SS..Hα-helixtrans-53.1-60-175.4174.3-167-65.3-85.113.1113V188 E192 S199 R204 F205 L206V188-R202 HydrophobicContact CG1-CG 3.78Å; E192-R202 VanDerWaalsContact CD-CZ 3.41Å; E192-R202 VanDerWaalsContact CD-NH1 3.28Å; E192-R202 IonicContact OE1-CZ 3.37Å; E192-R202 IonicContact OE1-NH1 3.71Å; E192-R202 PolarHBondContact OE1-NH1 3.39Å; E192-R202 IonicContact OE1-NH2 3.93Å; E192-R202 PolarHBondContact OE1-NH2 2.88Å; E192-R202 IonicContact OE2-CZ 2.81Å; E192-R202 IonicContact OE2-NH1 2.6Å; E192-R202 IonicContact OE2-NH2 3.96Å; E192-R202 PolarHBondContact OE2-NH2 3.46Å; S199-R202 VanDerWaalsContact O-CB 3.27Å; S199-R202 WeakPolarHBondContact O-CB 3.34Å; S199-R202 PolarHBondContact O-N 3.49Å; R202-R204 VanDerWaalsContact C-N 3.27Å; R202-R204 PolarHBondContact O-N 2.93Å; R202-F205 PolarHBondContact O-N 3.46Å; R202-L206 HydrophobicContact CG-CD1 4.2Å; R202-L206 WeakPolarHBondContact O-CG 3.25Å; R202-L206 PolarHBondContact O-N 3.36Å
203E88.2Confident85.9Confident165 Ų165102 Ų10277%0.77149%0.488SS*.Hα-helixtrans-63.7-38.9-173.9-68.4-165.917100111L206 S207E203-L206 PolarHBondContact O-N 2.87Å; E203-S207 VanDerWaalsContact O-CB 3.3Å; E203-S207 WeakPolarHBondContact O-CB 3.2Å; E203-S207 PolarHBondContact O-N 3.29Å; E203-S207 PolarHBondContact O-OG 2.98Å
204R87.7Confident86.1Confident153 Ų153100 Ų10058%0.57748%0.479SS*.Hα-helixtrans-63.4-48.7178.2-171171.9-175.9172.20.4111.5Y201 R202 L206 S207 E208Y201-R204 PolarHBondContact O-N 3.49Å; R202-R204 VanDerWaalsContact C-N 3.27Å; R202-R204 PolarHBondContact O-N 2.93Å; R204-L206 VanDerWaalsContact C-N 3.34Å; R204-L206 PolarHBondContact O-N 3.35Å; R204-S207 WeakPolarHBondContact CA-OG 3.31Å; R204-S207 PolarHBondContact O-N 3.03Å; R204-S207 PolarHBondContact O-OG 2.91Å; R204-E208 HydrophobicContact CG-CG 4.44Å; R204-E208 WeakPolarHBondContact CG-OE1 3.34Å; R204-E208 IonicContact CZ-OE1 3.18Å; R204-E208 IonicContact NE-OE1 3.78Å; R204-E208 PolarHBondContact NE-OE1 2.73Å; R204-E208 IonicContact NH2-OE1 2.85Å; R204-E208 WeakPolarHBondContact O-CB 3.42Å; R204-E208 WeakPolarHBondContact O-CG 3.48Å; R204-E208 PolarHBondContact O-N 3.46Å
205F89.9Confident86.2Confident54 Ų54101.8 Ų101.824%0.23749%0.486CS..Hα-helixtrans-66.2-35.5-178.9-84.8-128.8000112.3V187 V188 L191 Y201 R202 R209 V210V187-F205 HydrophobicContact CG1-CD1 3.87Å; V187-F205 HydrophobicContact CG1-CE1 4.35Å; V188-F205 HydrophobicContact CG2-CB 4.28Å; L191-F205 HydrophobicContact CD1-CB 4.34Å; L191-F205 HydrophobicContact CD1-CD1 3.7Å; L191-F205 HydrophobicContact CD1-CE1 4.12Å; L191-F205 HydrophobicContact CD1-CG 3.98Å; Y201-F205 HydrophobicContact CD1-CE2 4.33Å; Y201-F205 HydrophobicContact CG-CE2 4.49Å; Y201-F205 WeakPolarHBondContact O-CB 3.38Å; Y201-F205 VanDerWaalsContact O-CD2 3.24Å; Y201-F205 WeakPolarHBondContact O-CD2 3.29Å; Y201-F205 PolarHBondContact O-N 2.84Å; R202-F205 PolarHBondContact O-N 3.46Å; F205-R209 WeakPolarHBondContact O-CA 3.46Å; F205-R209 PolarHBondContact O-N 2.96Å; F205-V210 HydrophobicContact CB-CB 4.23Å; F205-V210 HydrophobicContact CB-CG2 4.36Å; F205-V210 HydrophobicContact CD1-CB 3.69Å; F205-V210 HydrophobicContact CD1-CG1 3.66Å; F205-V210 HydrophobicContact CD1-CG2 4.11Å; F205-V210 HydrophobicContact CE1-CB 4.27Å; F205-V210 HydrophobicContact CE1-CG1 3.77Å; F205-V210 HydrophobicContact CG-CB 4.07Å; F205-V210 HydrophobicContact CG-CG1 4.46Å; F205-V210 HydrophobicContact CG-CG2 4.1Å; F205-V210 PolarHBondContact O-N 3.34Å
206L87.9Confident86.4Confident75 Ų75106.2 Ų106.239%0.39350%0.499SS..Hα-helixtrans-66.1-45.5171.2-73.4173.7000111.8V188 R202 E203 R204 E208 R209V188-L206 HydrophobicContact CB-CD2 4.45Å; V188-L206 HydrophobicContact CG2-CD2 3.79Å; V188-L206 HydrophobicContact CG2-CG 3.76Å; R202-L206 HydrophobicContact CG-CD1 4.2Å; R202-L206 WeakPolarHBondContact O-CG 3.25Å; R202-L206 PolarHBondContact O-N 3.36Å; E203-L206 PolarHBondContact O-N 2.87Å; R204-L206 VanDerWaalsContact C-N 3.34Å; R204-L206 PolarHBondContact O-N 3.35Å; L206-E208 VanDerWaalsContact C-N 3.32Å; L206-E208 PolarHBondContact O-N 3.46Å; L206-R209 PolarHBondContact O-N 3.09Å
207S90.5Very high86.5Confident90 Ų90105.5 Ų105.563%0.62948%0.484SS*.Hα-helixtrans-64.4-37.5-179.373.90000112.5E203 R204 R209E203-S207 VanDerWaalsContact O-CB 3.3Å; E203-S207 WeakPolarHBondContact O-CB 3.2Å; E203-S207 PolarHBondContact O-N 3.29Å; E203-S207 PolarHBondContact O-OG 2.98Å; R204-S207 WeakPolarHBondContact CA-OG 3.31Å; R204-S207 PolarHBondContact O-N 3.03Å; R204-S207 PolarHBondContact O-OG 2.91Å; S207-R209 VanDerWaalsContact C-N 3.32Å
208E90.6Very high86.4Confident109 Ų109102.6 Ų102.651%0.50948%0.478SS..THydrogen-bonded Turntrans-87.7-0.7179.3-66.9178.3-167.700112.3R204 L206 V210R204-E208 HydrophobicContact CG-CG 4.44Å; R204-E208 WeakPolarHBondContact CG-OE1 3.34Å; R204-E208 IonicContact CZ-OE1 3.18Å; R204-E208 IonicContact NE-OE1 3.78Å; R204-E208 PolarHBondContact NE-OE1 2.73Å; R204-E208 IonicContact NH2-OE1 2.85Å; R204-E208 WeakPolarHBondContact O-CB 3.42Å; R204-E208 WeakPolarHBondContact O-CG 3.48Å; R204-E208 PolarHBondContact O-N 3.46Å; L206-E208 VanDerWaalsContact C-N 3.32Å; L206-E208 PolarHBondContact O-N 3.46Å; E208-V210 HydrophobicContact CB-CG2 3.87Å; E208-V210 PolarHBondContact O-N 2.87Å
209R87.8Confident86.5Confident197 Ų197109.4 Ų109.474%0.74351%0.51SS*.THydrogen-bonded Turntrans49.141.4-177.2-63.7-172.4171.1-171.9-2.6113.3F205 L206 S207 N211F205-R209 WeakPolarHBondContact O-CA 3.46Å; F205-R209 PolarHBondContact O-N 2.96Å; L206-R209 PolarHBondContact O-N 3.09Å; S207-R209 VanDerWaalsContact C-N 3.32Å; R209-N211 PolarHBondContact O-N 2.91Å; R209-N211 VanDerWaalsContact O-N 3.12Å; R209-N211 PolarHBondContact O-ND2 2.97Å
210V86.3Confident86.9Confident44 Ų44112.8 Ų112.827%0.26752%0.515SS..  trans-64.5113.4-180-178.70000108.7A184 F205 E208A184-V210 VanDerWaalsContact CA-O 3.25Å; A184-V210 WeakPolarHBondContact CA-O 3.32Å; A184-V210 WeakPolarHBondContact CB-O 3.27Å; F205-V210 HydrophobicContact CB-CB 4.23Å; F205-V210 HydrophobicContact CB-CG2 4.36Å; F205-V210 HydrophobicContact CD1-CB 3.69Å; F205-V210 HydrophobicContact CD1-CG1 3.66Å; F205-V210 HydrophobicContact CD1-CG2 4.11Å; F205-V210 HydrophobicContact CE1-CB 4.27Å; F205-V210 HydrophobicContact CE1-CG1 3.77Å; F205-V210 HydrophobicContact CG-CB 4.07Å; F205-V210 HydrophobicContact CG-CG1 4.46Å; F205-V210 HydrophobicContact CG-CG2 4.1Å; F205-V210 PolarHBondContact O-N 3.34Å; E208-V210 HydrophobicContact CB-CG2 3.87Å; E208-V210 PolarHBondContact O-N 2.87Å
211N88.6Confident86.8Confident72 Ų72110.4 Ų110.439%0.38550%0.497SS..  trans-115.8-179.8178.666.169.3000109.2W182 R209 R213W182-N211 WeakPolarHBondContact O-CB 3.44Å; R209-N211 PolarHBondContact O-N 2.91Å; R209-N211 VanDerWaalsContact O-N 3.12Å; R209-N211 PolarHBondContact O-ND2 2.97Å; N211-R213 PolarHBondContact O-N 2.89Å; N211-R213 WeakPolarHBondContact OD1-CB 3.38Å; N211-R213 PolarHBondContact OD1-N 3.19Å; N211-R213 VanDerWaalsContact OD1-N 3.07Å
212G81.6Confident86.8Confident21 Ų21110.5 Ų110.522%0.21650%0.503CS..  trans-8317.5-174.300000116.2V179 A180 W182V179-G212 CarbonylContact C-O 3.53Å; V179-G212 CarbonylContact O-C 3.59Å; V179-G212 WeakPolarHBondContact O-CA 3.32Å; A180-G212 WeakPolarHBondContact CA-O 3.22Å; W182-G212 PolarHBondContact O-N 3.35Å
213R75.9Confident86.8Confident264 Ų264113.1 Ų113.1100%0.99652%0.52SS*.  trans-103.10171.8-70-172.9176.9-179.9-2.1112.9A180 N211A180-R213 WeakPolarHBondContact O-CG 3.39Å; A180-R213 PolarHBondContact O-NE 3.37Å; N211-R213 PolarHBondContact O-N 2.89Å; N211-R213 WeakPolarHBondContact OD1-CB 3.38Å; N211-R213 PolarHBondContact OD1-N 3.19Å; N211-R213 VanDerWaalsContact OD1-N 3.07Å

Retrieved 213 of 213 residues in 87 ms (Link to these results)