A0A077ZFM7_TRITR Loading...

Zf-C2H2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFM7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 240 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M85.2Confident94.8Very high188 Ų18899 Ų9993%0.92654%0.543SS*.  0124.50-65.9-176.6-175.100107.9K16M1-K16 VanDerWaalsContact SD-CE 3.6Å
2Q93.1Very high94.9Very high182 Ų18295.6 Ų95.685%0.8555%0.548SS*.  trans-83.8133.3-179.7-67.3176.41.600109.7
3F96.7Very high95.1Very high122 Ų122100.1 Ų100.154%0.53555%0.55SS.*  trans-98.5142174.5-69.9-85.6000109.8Y5 Y15F3-Y5 HydrophobicContact CB-CE2 4.19Å; F3-Y5 WeakPolarHBondContact O-CE2 3.49Å; F3-Y15 WeakPolarHBondContact CA-O 3.39Å
4V97.4Very high95.2Very high52 Ų52104.8 Ų104.832%0.31556%0.556SS.*EExtended strand (participates in β ladder)trans-110.6140.3177-157.60000109.5R14 Y15 L21V4-R14 CarbonylContact O-C 3.59Å; V4-R14 WeakPolarHBondContact O-CA 3.48Å; V4-Y15 PolarHBondContact N-O 3.42Å; V4-Y15 PolarHBondContact O-N 2.92Å; V4-L21 HydrophobicContact CB-CD2 4.18Å; V4-L21 HydrophobicContact CG1-CD2 3.45Å; V4-L21 VanDerWaalsContact CG1-CD2 3.45Å
5Y97.6Very high95.4Very high105 Ų105100.5 Ų100.541%0.41253%0.529SS..EExtended strand (participates in β ladder)trans-111.9143.8-171.6-63.7-109.3000110.5F3 Q7 R14F3-Y5 HydrophobicContact CB-CE2 4.19Å; F3-Y5 WeakPolarHBondContact O-CE2 3.49Å; Y5-Q7 PolarHBondContact O-N 2.88Å; Y5-R14 HydrophobicContact CD1-CG 3.61Å; Y5-R14 HydrophobicContact CE1-CB 4.47Å; Y5-R14 HydrophobicContact CE1-CG 3.43Å; Y5-R14 VanDerWaalsContact CE1-CG 3.43Å; Y5-R14 VanDerWaalsContact CE1-CZ 3.41Å; Y5-R14 HydrophobicContact CG-CG 4.45Å; Y5-R14 VanDerWaalsContact OH-CZ 3.29Å; Y5-R14 PolarHBondContact OH-NH1 3.18Å
6C97.7Very high95.5Very high10 Ų10103.7 Ų103.77%0.06854%0.537CS..  trans-72.3121.7170.5-171.30000110.6V8 C11 R13 L21 H24 H29C6-V8 VanDerWaalsContact C-N 3.27Å; C6-V8 PolarHBondContact O-N 3.02Å; C6-C11 HydrophobicContact CB-CB 4.21Å; C6-R13 PolarHBondContact N-O 3.26Å; C6-L21 HydrophobicContact CB-CD1 3.82Å; C6-H24 PolarHBondContact SG-NE2 3.08Å; C6-H24 VanDerWaalsContact SG-NE2 3.37Å; C6-H29 PolarHBondContact SG-NE2 2.99Å
7Q96.5Very high95.5Very high168 Ų16899.1 Ų99.179%0.78552%0.522SS*.  trans-79.9-4.6-179.4-64.8-179.312.600113.5Y5 S9Y5-Q7 PolarHBondContact O-N 2.88Å; Q7-S9 PolarHBondContact O-N 3.35Å
8V94.7Very high95.6Very high42 Ų4299.7 Ų99.726%0.25552%0.521SS..SBendtrans-69.9125.7178.1-178.90000109.8C6 G10 C11 H29C6-V8 VanDerWaalsContact C-N 3.27Å; C6-V8 PolarHBondContact O-N 3.02Å; V8-G10 PolarHBondContact O-N 3.47Å; V8-C11 HydrophobicContact CB-CB 4.4Å; V8-C11 WeakPolarHBondContact O-CB 3.46Å; V8-C11 PolarHBondContact O-N 3.16Å; V8-H29 HydrophobicContact CG2-CB 4.2Å; V8-H29 WeakPolarHBondContact CG2-CD2 3.18Å
9S94.9Very high95.6Very high98 Ų98106.2 Ų106.269%0.68554%0.538SS*.THydrogen-bonded Turntrans-54.5122.5-178.446.90000111Q7Q7-S9 PolarHBondContact O-N 3.35Å
10G93.6Very high95.7Very high90 Ų90102.9 Ų102.993%0.92853%0.525SS*.THydrogen-bonded Turntrans89.9-6.3-179.600000116.2V8V8-G10 PolarHBondContact O-N 3.47Å
11C95.9Very high95.8Very high32 Ų3299.2 Ų99.222%0.21651%0.507CS..THydrogen-bonded Turntrans-81-52.5178.8-1720000113.2C6 V8 R13 H24C6-C11 HydrophobicContact CB-CB 4.21Å; V8-C11 HydrophobicContact CB-CB 4.4Å; V8-C11 WeakPolarHBondContact O-CB 3.46Å; V8-C11 PolarHBondContact O-N 3.16Å; C11-R13 PolarHBondContact O-N 2.97Å; C11-H24 PolarHBondContact SG-CE1 3.35Å; C11-H24 PolarHBondContact SG-NE2 3.14Å
12G95.3Very high96.3Very high58 Ų5897.6 Ų97.660%0.59849%0.49SS*.  trans62.44.6175.500000116.7
13R97.3Very high96.4Very high154 Ų15495.2 Ų95.258%0.58148%0.479SS*.  trans-72.6141.9-176.8-67-174.2-178.5-147.3-0.3112.1C6 C11 Y15C6-R13 PolarHBondContact N-O 3.26Å; C11-R13 PolarHBondContact O-N 2.97Å; R13-Y15 HydrophobicContact CB-CE2 3.67Å; R13-Y15 WeakPolarHBondContact CD-OH 3.4Å
14R97.4Very high96.4Very high166 Ų16690.2 Ų90.263%0.62646%0.457SS*.EExtended strand (participates in β ladder)trans-110.9143179.6-49-173.1-176.6-159-11.2110.6V4 Y5V4-R14 CarbonylContact O-C 3.59Å; V4-R14 WeakPolarHBondContact O-CA 3.48Å; Y5-R14 HydrophobicContact CD1-CG 3.61Å; Y5-R14 HydrophobicContact CE1-CB 4.47Å; Y5-R14 HydrophobicContact CE1-CG 3.43Å; Y5-R14 VanDerWaalsContact CE1-CG 3.43Å; Y5-R14 VanDerWaalsContact CE1-CZ 3.41Å; Y5-R14 HydrophobicContact CG-CG 4.45Å; Y5-R14 VanDerWaalsContact OH-CZ 3.29Å; Y5-R14 PolarHBondContact OH-NH1 3.18Å
15Y97.6Very high96.3Very high41 Ų4188.9 Ų88.916%0.16145%0.449CS..EExtended strand (participates in β ladder)trans-133.1147.2-174.9-69.3-77.6000111.3F3 V4 R13 G17 S20 L21 H24F3-Y15 WeakPolarHBondContact CA-O 3.39Å; V4-Y15 PolarHBondContact N-O 3.42Å; V4-Y15 PolarHBondContact O-N 2.92Å; R13-Y15 HydrophobicContact CB-CE2 3.67Å; R13-Y15 WeakPolarHBondContact CD-OH 3.4Å; Y15-G17 PolarHBondContact O-N 3.03Å; Y15-S20 WeakPolarHBondContact CB-OG 3.32Å; Y15-L21 HydrophobicContact CD2-CB 4.15Å; Y15-L21 HydrophobicContact CD2-CD1 3.85Å; Y15-L21 HydrophobicContact CE2-CD1 4.17Å; Y15-L21 HydrophobicContact CG-CB 4.35Å; Y15-H24 HydrophobicContact CE1-CB 3.99Å; Y15-H24 HydrophobicContact CE2-CB 3.8Å; Y15-H24 AromaticContact CE2-CD2 3.52Å; Y15-H24 AromaticContact CE2-CG 3.63Å; Y15-H24 VanDerWaalsContact CZ-CB 3.41Å; Y15-H24 AromaticContact CZ-CD2 3.83Å; Y15-H24 AromaticContact CZ-CG 3.43Å; Y15-H24 VanDerWaalsContact CZ-CG 3.43Å; Y15-H24 AromaticContact CZ-ND1 3.96Å; Y15-H24 VanDerWaalsContact OH-CB 3.29Å; Y15-H24 WeakPolarHBondContact OH-CB 3.4Å; Y15-H24 PolarHBondContact OH-ND1 3.47Å
16K96.9Very high96.1Very high151 Ų15191.1 Ų91.166%0.65746%0.461SS*.SBendtrans-72.4-16.2-179-166.7175.3-178.7-178.10113.1M1M1-K16 VanDerWaalsContact SD-CE 3.6Å
17G96.3Very high95.9Very high26 Ų2695.6 Ų95.627%0.26849%0.488SS..SBendtrans-165.4170.9177.700000113Y15 R19 S20 L21Y15-G17 PolarHBondContact O-N 3.03Å; G17-R19 PolarHBondContact O-N 3.02Å; G17-S20 PolarHBondContact O-N 3.5Å; G17-S20 PolarHBondContact O-OG 2.96Å; G17-L21 PolarHBondContact O-N 3.11Å
18E96Very high95.7Very high109 Ų10990.3 Ų90.351%0.50947%0.473SS..Hα-helixtrans-65.8-35.9-174.5-162.3-170.5156.500112.8S20 L21 R22E18-S20 VanDerWaalsContact C-N 3.32Å; E18-S20 PolarHBondContact O-N 3.37Å; E18-L21 PolarHBondContact O-N 3.5Å; E18-L21 VanDerWaalsContact O-N 3.11Å; E18-R22 HydrophobicContact CG-CG 4.47Å; E18-R22 WeakPolarHBondContact O-CG 3.48Å; E18-R22 PolarHBondContact O-N 3.49Å; E18-R22 IonicContact OE1-CZ 3.18Å; E18-R22 IonicContact OE1-NE 2.84Å; E18-R22 PolarHBondContact OE1-NE 3.37Å; E18-R22 IonicContact OE1-NH2 2.68Å; E18-R22 PolarHBondContact OE1-NH2 3.01Å
19R97.1Very high95.5Very high223 Ų22390.7 Ų90.784%0.84247%0.472SS*.Hα-helixtrans-56.4-45.2177.9-175.1-179.2-75-175.2-2.6111.9G17 R22 Q23G17-R19 PolarHBondContact O-N 3.02Å; R19-R22 PolarHBondContact O-N 3.27Å; R19-Q23 PolarHBondContact O-N 3.47Å; R19-Q23 VanDerWaalsContact O-N 3.12Å
20S97.1Very high94.8Very high41 Ų4189.9 Ų89.929%0.28747%0.465SS..Hα-helixtrans-69.2-34.5177.843.40000113Y15 G17 E18 H24Y15-S20 WeakPolarHBondContact CB-OG 3.32Å; G17-S20 PolarHBondContact O-N 3.5Å; G17-S20 PolarHBondContact O-OG 2.96Å; E18-S20 VanDerWaalsContact C-N 3.32Å; E18-S20 PolarHBondContact O-N 3.37Å; S20-H24 WeakPolarHBondContact O-CB 3.5Å; S20-H24 PolarHBondContact O-N 3.48Å
21L97Very high93.6Very high26 Ų2688.1 Ų88.114%0.13644%0.442CS..Hα-helixtrans-66.1-45.1173.9175.262.8000111.3V4 C6 Y15 G17 E18 Q23 H24 V25V4-L21 HydrophobicContact CB-CD2 4.18Å; V4-L21 HydrophobicContact CG1-CD2 3.45Å; V4-L21 VanDerWaalsContact CG1-CD2 3.45Å; C6-L21 HydrophobicContact CB-CD1 3.82Å; Y15-L21 HydrophobicContact CD2-CB 4.15Å; Y15-L21 HydrophobicContact CD2-CD1 3.85Å; Y15-L21 HydrophobicContact CE2-CD1 4.17Å; Y15-L21 HydrophobicContact CG-CB 4.35Å; G17-L21 PolarHBondContact O-N 3.11Å; E18-L21 PolarHBondContact O-N 3.5Å; E18-L21 VanDerWaalsContact O-N 3.11Å; L21-Q23 VanDerWaalsContact C-N 3.35Å; L21-Q23 PolarHBondContact O-N 3.32Å; L21-H24 WeakPolarHBondContact O-CB 3.34Å; L21-H24 PolarHBondContact O-N 2.98Å; L21-V25 HydrophobicContact CD1-CG2 3.95Å; L21-V25 HydrophobicContact CG-CG2 4.33Å; L21-V25 WeakPolarHBondContact O-CG2 3.44Å; L21-V25 PolarHBondContact O-N 2.8Å
22R95.9Very high91.9Very high153 Ų15391.1 Ų91.158%0.57746%0.461SS*.Hα-helixtrans-59.9-44177.8-72.8177.8178-1175111.9E18 R19 H24 V25 K26E18-R22 HydrophobicContact CG-CG 4.47Å; E18-R22 WeakPolarHBondContact O-CG 3.48Å; E18-R22 PolarHBondContact O-N 3.49Å; E18-R22 IonicContact OE1-CZ 3.18Å; E18-R22 IonicContact OE1-NE 2.84Å; E18-R22 PolarHBondContact OE1-NE 3.37Å; E18-R22 IonicContact OE1-NH2 2.68Å; E18-R22 PolarHBondContact OE1-NH2 3.01Å; R19-R22 PolarHBondContact O-N 3.27Å; R22-H24 VanDerWaalsContact C-N 3.35Å; R22-V25 PolarHBondContact O-N 2.87Å; R22-K26 WeakPolarHBondContact O-CB 3.39Å; R22-K26 PolarHBondContact O-N 2.75Å
23Q96.4Very high90.4Very high133 Ų13396.9 Ų96.962%0.62147%0.47SS*.Hα-helixtrans-63-42.9175.6-175.1176.14.300111.6R19 L21 K26 V27R19-Q23 PolarHBondContact O-N 3.47Å; R19-Q23 VanDerWaalsContact O-N 3.12Å; L21-Q23 VanDerWaalsContact C-N 3.35Å; L21-Q23 PolarHBondContact O-N 3.32Å; Q23-K26 PolarHBondContact O-N 3.19Å; Q23-V27 WeakPolarHBondContact O-CG2 3.42Å; Q23-V27 PolarHBondContact O-N 3.28Å
24H96.3Very high88.6Confident17 Ų1794.9 Ų94.98%0.07948%0.476CS..Hα-helixtrans-60-50.6175.216463.8000112.1C6 C11 Y15 S20 L21 R22 K26 V27 A28 H29C6-H24 PolarHBondContact SG-NE2 3.08Å; C6-H24 VanDerWaalsContact SG-NE2 3.37Å; C11-H24 PolarHBondContact SG-CE1 3.35Å; C11-H24 PolarHBondContact SG-NE2 3.14Å; Y15-H24 HydrophobicContact CE1-CB 3.99Å; Y15-H24 HydrophobicContact CE2-CB 3.8Å; Y15-H24 AromaticContact CE2-CD2 3.52Å; Y15-H24 AromaticContact CE2-CG 3.63Å; Y15-H24 VanDerWaalsContact CZ-CB 3.41Å; Y15-H24 AromaticContact CZ-CD2 3.83Å; Y15-H24 AromaticContact CZ-CG 3.43Å; Y15-H24 VanDerWaalsContact CZ-CG 3.43Å; Y15-H24 AromaticContact CZ-ND1 3.96Å; Y15-H24 VanDerWaalsContact OH-CB 3.29Å; Y15-H24 WeakPolarHBondContact OH-CB 3.4Å; Y15-H24 PolarHBondContact OH-ND1 3.47Å; S20-H24 WeakPolarHBondContact O-CB 3.5Å; S20-H24 PolarHBondContact O-N 3.48Å; L21-H24 WeakPolarHBondContact O-CB 3.34Å; L21-H24 PolarHBondContact O-N 2.98Å; R22-H24 VanDerWaalsContact C-N 3.35Å; H24-K26 VanDerWaalsContact C-N 3.27Å; H24-K26 PolarHBondContact O-N 3.48Å; H24-V27 PolarHBondContact O-N 3.24Å; H24-A28 VanDerWaalsContact CE1-CB 3.48Å; H24-A28 WeakPolarHBondContact CE1-CB 3.49Å; H24-A28 WeakPolarHBondContact O-CB 3.28Å; H24-A28 PolarHBondContact O-N 3.18Å; H24-H29 AromaticContact CE1-NE2 3.71Å; H24-H29 AromaticContact NE2-CD2 3.81Å; H24-H29 AromaticContact NE2-NE2 3.24Å; H24-H29 PolarHBondContact NE2-NE2 2.66Å
25V95.2Very high86.7Confident23 Ų2396.6 Ų96.614%0.13949%0.488CS..Hα-helixtrans-60-41.1179.2174.70000110.5L21 R22 V27 H29 C30L21-V25 HydrophobicContact CD1-CG2 3.95Å; L21-V25 HydrophobicContact CG-CG2 4.33Å; L21-V25 WeakPolarHBondContact O-CG2 3.44Å; L21-V25 PolarHBondContact O-N 2.8Å; R22-V25 PolarHBondContact O-N 2.87Å; V25-V27 PolarHBondContact O-N 3.24Å; V25-H29 HydrophobicContact CG1-CB 4.33Å; V25-H29 CarbonylContact O-C 3.54Å; V25-H29 WeakPolarHBondContact O-CA 3.46Å; V25-H29 WeakPolarHBondContact O-CB 3.47Å; V25-H29 PolarHBondContact O-N 3.41Å; V25-C30 PolarHBondContact O-N 2.97Å
26K93.6Very high84.8Confident153 Ų15398.9 Ų98.967%0.66552%0.516SS*.Hα-helixtrans-60.7-45.4177.3-172.9173.6-178.4176.60113R22 Q23 H24 A31R22-K26 WeakPolarHBondContact O-CB 3.39Å; R22-K26 PolarHBondContact O-N 2.75Å; Q23-K26 PolarHBondContact O-N 3.19Å; H24-K26 VanDerWaalsContact C-N 3.27Å; H24-K26 PolarHBondContact O-N 3.48Å; K26-A31 WeakPolarHBondContact O-CB 3.33Å; K26-A31 PolarHBondContact O-N 3Å
27V92.6Very high83Confident104 Ų104100.4 Ų100.463%0.6352%0.523SS*.Hα-helixtrans-83.5-40.6-174.8176.30000112.4Q23 H24 V25Q23-V27 WeakPolarHBondContact O-CG2 3.42Å; Q23-V27 PolarHBondContact O-N 3.28Å; H24-V27 PolarHBondContact O-N 3.24Å; V25-V27 PolarHBondContact O-N 3.24Å
28A92.7Very high81.2Confident57 Ų57108.4 Ų108.447%0.47155%0.55SS.*Hα-helixtrans-89.8-27.6-173.400000113.5H24H24-A28 VanDerWaalsContact CE1-CB 3.48Å; H24-A28 WeakPolarHBondContact CE1-CB 3.49Å; H24-A28 WeakPolarHBondContact O-CB 3.28Å; H24-A28 PolarHBondContact O-N 3.18Å
29H91.4Very high79.6Confident50 Ų50110 Ų11023%0.23156%0.557CS.*THydrogen-bonded Turntrans-122.2-37.3-171-56.5-50.7000113.5C6 V8 H24 V25C6-H29 PolarHBondContact SG-NE2 2.99Å; V8-H29 HydrophobicContact CG2-CB 4.2Å; V8-H29 WeakPolarHBondContact CG2-CD2 3.18Å; H24-H29 AromaticContact CE1-NE2 3.71Å; H24-H29 AromaticContact NE2-CD2 3.81Å; H24-H29 AromaticContact NE2-NE2 3.24Å; H24-H29 PolarHBondContact NE2-NE2 2.66Å; V25-H29 HydrophobicContact CG1-CB 4.33Å; V25-H29 CarbonylContact O-C 3.54Å; V25-H29 WeakPolarHBondContact O-CA 3.46Å; V25-H29 WeakPolarHBondContact O-CB 3.47Å; V25-H29 PolarHBondContact O-N 3.41Å
30C80.2Confident78.4Confident81 Ų81103.1 Ų103.155%0.54754%0.543SS..SBendtrans-89.2-1.5178.9-60.40000114.2V25 P32V25-C30 PolarHBondContact O-N 2.97Å; C30-P32 WeakPolarHBondContact O-CD 3.39Å
31A66.8Low78Confident52 Ų52105.2 Ų105.243%0.4355%0.551SS.*  trans-118.357-178.900000113.8K26 K33K26-A31 WeakPolarHBondContact O-CB 3.33Å; K26-A31 PolarHBondContact O-N 3Å; A31-K33 PolarHBondContact O-N 2.84Å
32P61.7Low77.7Confident96 Ų96106.5 Ų106.562%0.62356%0.557SS**  trans-63.592.1131.331.3-21.9000103.6C30 P34C30-P32 WeakPolarHBondContact O-CD 3.39Å; P32-P34 WeakPolarHBondContact O-CD 3.34Å
33K62.1Low77.6Confident179 Ų179104.3 Ų104.378%0.77855%0.554SS**  trans-41.4117.5156.4-77.6179.2177174.50102.9A31 K35A31-K33 PolarHBondContact O-N 2.84Å; K33-K35 VanDerWaalsContact C-N 3.31Å; K33-K35 PolarHBondContact O-N 2.9Å
34P60.1Low77.5Confident112 Ų11298 Ų9873%0.72752%0.524SS*.  trans-50.4113.4177.421.1-30.9000102.4P32 A36P32-P34 WeakPolarHBondContact O-CD 3.34Å; P34-A36 WeakPolarHBondContact O-CA 3.38Å; P34-A36 PolarHBondContact O-N 2.75Å
35K56.6Low77.2Confident201 Ų201105.7 Ų105.787%0.87456%0.56SS**  trans-50.9105.8-171.8-82.2-166.8177.5-179.10103.5K33 K37K33-K35 VanDerWaalsContact C-N 3.31Å; K33-K35 PolarHBondContact O-N 2.9Å; K35-K37 PolarHBondContact O-N 2.76Å
36A59.1Low77.2Confident90 Ų90108 Ų10874%0.74458%0.576SS**  trans-74.496.9-154.800000103.4P34P34-A36 WeakPolarHBondContact O-CA 3.38Å; P34-A36 PolarHBondContact O-N 2.75Å
37K59Low77.3Confident183 Ų183103 Ų10380%0.79656%0.56SS**SBendtrans68.6139.3-176.9-59.2152.9-178.4-175.10111K35 E39K35-K37 PolarHBondContact O-N 2.76Å; K37-E39 PolarHBondContact O-N 3.16Å; K37-E39 VanDerWaalsContact O-N 3.11Å
38K59.2Low77.3Confident194 Ų194104 Ų10484%0.84356%0.561SS**SBendtrans-32.2125.3151.2-71.1166.9176.3176.50105.9S40K38-S40 WeakPolarHBondContact O-CA 3.07Å; K38-S40 PolarHBondContact O-N 3.15Å
39E61.8Low77.4Confident141 Ų141106.8 Ų106.866%0.65956%0.563SS**  trans-43.8101166.2-72.2177.417700104.8K37 I41K37-E39 PolarHBondContact O-N 3.16Å; K37-E39 VanDerWaalsContact O-N 3.11Å; E39-I41 PolarHBondContact O-N 2.93Å
40S72.4Confident77.6Confident79 Ų79107.9 Ų107.955%0.55258%0.577SS**  trans-78.289.6-170.754.50000101.1K38 L42K38-S40 WeakPolarHBondContact O-CA 3.07Å; K38-S40 PolarHBondContact O-N 3.15Å; S40-L42 WeakPolarHBondContact O-CG 3.41Å; S40-L42 PolarHBondContact O-N 2.98Å
41I87.2Confident78.3Confident85 Ų85106.4 Ų106.444%0.43656%0.56SS.*  trans-55.6111.6177.8-62.3179.1000104.4E39 H43E39-I41 PolarHBondContact O-N 2.93Å; I41-H43 PolarHBondContact O-CE1 2.83Å; I41-H43 PolarHBondContact O-ND1 2.9Å
42L90.8Very high79.4Confident53 Ų53114.1 Ų114.128%0.27758%0.578SS.*EExtended strand (participates in β ladder)trans-84.7122.9-176.5-63.4174.3000106.8S40 S50 Y51 S54 L57S40-L42 WeakPolarHBondContact O-CG 3.41Å; S40-L42 PolarHBondContact O-N 2.98Å; L42-S50 CarbonylContact O-C 3.52Å; L42-S50 WeakPolarHBondContact O-CA 3.21Å; L42-Y51 PolarHBondContact N-O 2.88Å; L42-Y51 PolarHBondContact O-N 3.14Å; L42-S54 VanDerWaalsContact CD1-CA 3.4Å; L42-L57 HydrophobicContact CB-CB 4.34Å; L42-L57 HydrophobicContact CB-CD2 3.8Å; L42-L57 HydrophobicContact CD1-CD2 4.43Å
43H93.4Very high80.9Confident108 Ų108113 Ų11350%0.557%0.569SS.*EExtended strand (participates in β ladder)trans-102.1137.5-179-58.583.8000109.6I41 H45 K49I41-H43 PolarHBondContact O-CE1 2.83Å; I41-H43 PolarHBondContact O-ND1 2.9Å; H43-H45 PolarHBondContact O-N 3.43Å; H43-K49 CarbonylContact C-O 3.54Å; H43-K49 VanDerWaalsContact CA-O 3.28Å; H43-K49 WeakPolarHBondContact CA-O 3.48Å
44C94.7Very high82.3Confident1 Ų1108.1 Ų108.11%0.00756%0.557CS.*PPolyproline II helixtrans-72.4124.4169.8178.50000109.8C46 C47 N48 K49 L57 H60 H66C44-C46 PolarHBondContact O-N 3.07Å; C44-C46 PolarHBondContact SG-N 3.3Å; C44-C47 PolarHBondContact O-N 2.74Å; C44-N48 WeakPolarHBondContact O-CA 3.38Å; C44-N48 PolarHBondContact O-N 3.11Å; C44-K49 PolarHBondContact N-O 3.38Å; C44-L57 HydrophobicContact CB-CD1 3.81Å; C44-H60 WeakPolarHBondContact CB-NE2 3.46Å; C44-H60 PolarHBondContact SG-NE2 3.34Å; C44-H66 PolarHBondContact SG-CD2 2.85Å
45H91.1Very high83.9Confident177 Ų177106.5 Ų106.582%0.81955%0.549SS*.THydrogen-bonded Turntrans-62.4-25.2179.7-166.7-73.7000113.5H43H43-H45 PolarHBondContact O-N 3.43Å
46C94.2Very high85.7Confident72 Ų7298 Ų9849%0.48652%0.518SS..THydrogen-bonded Turntrans-85.1-29.9-177.6-56.60000113.5C44 H66C44-C46 PolarHBondContact O-N 3.07Å; C44-C46 PolarHBondContact SG-N 3.3Å; C46-H66 HydrophobicContact CB-CB 4.2Å; C46-H66 WeakPolarHBondContact CB-ND1 3.46Å
47C95.5Very high87.4Confident48 Ų4895 Ų9532%0.32449%0.489SS..THydrogen-bonded Turntrans-135.23.4-173.271.80000115C44 K49 H60C44-C47 PolarHBondContact O-N 2.74Å; C47-K49 PolarHBondContact O-N 3.25Å; C47-K49 VanDerWaalsContact SG-CG 3.57Å; C47-H60 VanDerWaalsContact SG-CE1 3.51Å; C47-H60 PolarHBondContact SG-NE2 2.62Å
48N92.8Very high89.1Confident124 Ų12492.6 Ų92.666%0.66348%0.479SS*.  trans53.716.8-178.4-65.4-40.3000115.5C44C44-N48 WeakPolarHBondContact O-CA 3.38Å; C44-N48 PolarHBondContact O-N 3.11Å
49K95.5Very high90.8Very high117 Ų11787.1 Ų87.151%0.50947%0.465SS..  trans-67.5140172.3-73.3-179.6-173.2-66.90110.5H43 C44 C47 Y51H43-K49 CarbonylContact C-O 3.54Å; H43-K49 VanDerWaalsContact CA-O 3.28Å; H43-K49 WeakPolarHBondContact CA-O 3.48Å; C44-K49 PolarHBondContact N-O 3.38Å; C47-K49 PolarHBondContact O-N 3.25Å; C47-K49 VanDerWaalsContact SG-CG 3.57Å; K49-Y51 HydrophobicContact CB-CE2 3.73Å; K49-Y51 WeakPolarHBondContact O-CD2 3.48Å; K49-Y51 WeakPolarHBondContact O-CE2 3.41Å
50S94.1Very high92.5Very high73 Ų7381.1 Ų81.151%0.5144%0.437SS..EExtended strand (participates in β ladder)trans-108.5134.7-168.177.10000110.5L42L42-S50 CarbonylContact O-C 3.52Å; L42-S50 WeakPolarHBondContact O-CA 3.21Å
51Y94.9Very high93.5Very high50 Ų5078.3 Ų78.320%0.19642%0.415CS..EExtended strand (participates in β ladder)trans-128.8138.4-172.7-65.6-88.3000110.8L42 K49 L57 H60L42-Y51 PolarHBondContact N-O 2.88Å; L42-Y51 PolarHBondContact O-N 3.14Å; K49-Y51 HydrophobicContact CB-CE2 3.73Å; K49-Y51 WeakPolarHBondContact O-CD2 3.48Å; K49-Y51 WeakPolarHBondContact O-CE2 3.41Å; Y51-L57 HydrophobicContact CD2-CB 4.09Å; Y51-L57 HydrophobicContact CD2-CD1 3.7Å; Y51-L57 HydrophobicContact CE2-CD1 4.01Å; Y51-L57 HydrophobicContact CG-CB 4.17Å; Y51-H60 HydrophobicContact CE1-CB 3.91Å; Y51-H60 HydrophobicContact CE2-CB 3.99Å; Y51-H60 AromaticContact CE2-CD2 3.7Å; Y51-H60 AromaticContact CE2-CG 3.81Å; Y51-H60 VanDerWaalsContact CZ-CB 3.46Å; Y51-H60 AromaticContact CZ-CD2 3.84Å; Y51-H60 AromaticContact CZ-CG 3.46Å; Y51-H60 VanDerWaalsContact CZ-CG 3.46Å; Y51-H60 AromaticContact CZ-ND1 3.99Å; Y51-H60 VanDerWaalsContact OH-CB 3.32Å; Y51-H60 WeakPolarHBondContact OH-CB 3.38Å; Y51-H60 PolarHBondContact OH-ND1 3.04Å
52R91.2Very high93.9Very high214 Ų21482.7 Ų82.781%0.80843%0.431SS*.SBendtrans-79-18.9176.9-67.9-167.9173.9-172.2-2113.6
53T92.5Very high94.1Very high73 Ų7384.1 Ų84.145%0.44845%0.446SS..SBendtrans-131.7145.6-176.858.80000110.8S55 G56 L57T53-S55 VanDerWaalsContact C-N 3.25Å; T53-S55 PolarHBondContact O-N 3.31Å; T53-S55 PolarHBondContact OG1-OG 2.97Å; T53-G56 PolarHBondContact O-N 2.98Å; T53-G56 PolarHBondContact OG1-N 2.62Å; T53-L57 PolarHBondContact O-N 3.4Å
54S91.8Very high94Very high75 Ų7585.4 Ų85.452%0.52445%0.45SS..Hα-helixtrans-64-31.3174.656.30000112.6L42 K58L42-S54 VanDerWaalsContact CD1-CA 3.4Å; S54-K58 WeakPolarHBondContact O-CB 3.42Å; S54-K58 WeakPolarHBondContact O-CG 3.48Å; S54-K58 PolarHBondContact O-N 2.68Å
55S94.3Very high93.7Very high79 Ų7992.4 Ų92.455%0.55249%0.487SS*.Hα-helixtrans-63.8-40.3172.452.70000112.3T53 K58 S59T53-S55 VanDerWaalsContact C-N 3.25Å; T53-S55 PolarHBondContact O-N 3.31Å; T53-S55 PolarHBondContact OG1-OG 2.97Å; S55-K58 PolarHBondContact O-N 3.44Å; S55-S59 WeakPolarHBondContact O-CB 3.39Å; S55-S59 PolarHBondContact O-N 3.06Å
56G95Very high93.5Very high21 Ų2186.2 Ų86.222%0.21646%0.458CS..Hα-helixtrans-62.3-46.7176.100000112.3T53 K58 S59 H60T53-G56 PolarHBondContact O-N 2.98Å; T53-G56 PolarHBondContact OG1-N 2.62Å; G56-K58 PolarHBondContact O-N 2.87Å; G56-S59 PolarHBondContact O-N 2.73Å; G56-H60 WeakPolarHBondContact O-CB 3.29Å; G56-H60 PolarHBondContact O-N 2.85Å
57L94.6Very high92.9Very high28 Ų2891 Ų9115%0.14747%0.474CS..Hα-helixtrans-62.1-44175.3-179.864.9000111.5L42 C44 Y51 T53 S59 H60 M61L42-L57 HydrophobicContact CB-CB 4.34Å; L42-L57 HydrophobicContact CB-CD2 3.8Å; L42-L57 HydrophobicContact CD1-CD2 4.43Å; C44-L57 HydrophobicContact CB-CD1 3.81Å; Y51-L57 HydrophobicContact CD2-CB 4.09Å; Y51-L57 HydrophobicContact CD2-CD1 3.7Å; Y51-L57 HydrophobicContact CE2-CD1 4.01Å; Y51-L57 HydrophobicContact CG-CB 4.17Å; T53-L57 PolarHBondContact O-N 3.4Å; L57-S59 PolarHBondContact O-N 3.26Å; L57-H60 WeakPolarHBondContact O-CB 3.35Å; L57-H60 PolarHBondContact O-N 3.07Å; L57-M61 HydrophobicContact CD1-CG 4.26Å; L57-M61 HydrophobicContact CD1-SD 4.3Å; L57-M61 HydrophobicContact CG-CG 4.48Å; L57-M61 HydrophobicContact CG-SD 4.16Å; L57-M61 WeakPolarHBondContact O-CG 3.36Å; L57-M61 PolarHBondContact O-N 2.94Å
58K93.8Very high91.6Very high133 Ų13392.6 Ų92.658%0.57848%0.477SS*.Hα-helixtrans-60.9-45.4178.9-76.1-179.8179.4-1750113S54 S55 G56 H60 M61 K62 M68S54-K58 WeakPolarHBondContact O-CB 3.42Å; S54-K58 WeakPolarHBondContact O-CG 3.48Å; S54-K58 PolarHBondContact O-N 2.68Å; S55-K58 PolarHBondContact O-N 3.44Å; G56-K58 PolarHBondContact O-N 2.87Å; K58-H60 VanDerWaalsContact C-N 3.33Å; K58-M61 PolarHBondContact O-N 3.18Å; K58-K62 WeakPolarHBondContact O-CB 3.45Å; K58-K62 PolarHBondContact O-N 3.01Å; K58-M68 HydrophobicContact CB-CE 4.08Å; K58-M68 HydrophobicContact CG-CE 3.85Å
59S95.6Very high90.3Very high79 Ų7991.5 Ų91.555%0.55249%0.486SS*.Hα-helixtrans-64.6-39.2177.3-172.70000111.8S55 G56 L57 K62 S63S55-S59 WeakPolarHBondContact O-CB 3.39Å; S55-S59 PolarHBondContact O-N 3.06Å; G56-S59 PolarHBondContact O-N 2.73Å; L57-S59 PolarHBondContact O-N 3.26Å; S59-K62 PolarHBondContact O-N 2.79Å; S59-S63 WeakPolarHBondContact O-CB 3.47Å; S59-S63 PolarHBondContact O-N 3.46Å; S59-S63 PolarHBondContact O-OG 3.24Å
60H96Very high88.5Confident15 Ų1590.4 Ų90.47%0.06949%0.493CS..Hα-helixtrans-61.1-46.6174.4167.765.4000112.6C44 C47 Y51 G56 L57 K58 K62 S63 K64 H66C44-H60 WeakPolarHBondContact CB-NE2 3.46Å; C44-H60 PolarHBondContact SG-NE2 3.34Å; C47-H60 VanDerWaalsContact SG-CE1 3.51Å; C47-H60 PolarHBondContact SG-NE2 2.62Å; Y51-H60 HydrophobicContact CE1-CB 3.91Å; Y51-H60 HydrophobicContact CE2-CB 3.99Å; Y51-H60 AromaticContact CE2-CD2 3.7Å; Y51-H60 AromaticContact CE2-CG 3.81Å; Y51-H60 VanDerWaalsContact CZ-CB 3.46Å; Y51-H60 AromaticContact CZ-CD2 3.84Å; Y51-H60 AromaticContact CZ-CG 3.46Å; Y51-H60 VanDerWaalsContact CZ-CG 3.46Å; Y51-H60 AromaticContact CZ-ND1 3.99Å; Y51-H60 VanDerWaalsContact OH-CB 3.32Å; Y51-H60 WeakPolarHBondContact OH-CB 3.38Å; Y51-H60 PolarHBondContact OH-ND1 3.04Å; G56-H60 WeakPolarHBondContact O-CB 3.29Å; G56-H60 PolarHBondContact O-N 2.85Å; L57-H60 WeakPolarHBondContact O-CB 3.35Å; L57-H60 PolarHBondContact O-N 3.07Å; K58-H60 VanDerWaalsContact C-N 3.33Å; H60-K62 VanDerWaalsContact C-N 3.34Å; H60-K62 PolarHBondContact O-N 3.37Å; H60-S63 WeakPolarHBondContact CA-OG 3.49Å; H60-S63 PolarHBondContact O-N 3.24Å; H60-S63 PolarHBondContact O-OG 3.04Å; H60-K64 WeakPolarHBondContact O-CB 3.34Å; H60-K64 PolarHBondContact O-N 3.35Å; H60-H66 AromaticContact CE1-CD2 3.96Å; H60-H66 AromaticContact NE2-CD2 3.5Å; H60-H66 PolarHBondContact NE2-CD2 3.03Å; H60-H66 AromaticContact NE2-NE2 3.92Å
61M94.7Very high86.8Confident19 Ų1990.3 Ų90.39%0.09450%0.503CS..Hα-helixtrans-64.7-40.8179.5-67.7-175.878.300111.8L57 K58 N65 H66 Q67 M68L57-M61 HydrophobicContact CD1-CG 4.26Å; L57-M61 HydrophobicContact CD1-SD 4.3Å; L57-M61 HydrophobicContact CG-CG 4.48Å; L57-M61 HydrophobicContact CG-SD 4.16Å; L57-M61 WeakPolarHBondContact O-CG 3.36Å; L57-M61 PolarHBondContact O-N 2.94Å; K58-M61 PolarHBondContact O-N 3.18Å; M61-N65 PolarHBondContact O-N 3.38Å; M61-H66 HydrophobicContact CB-CB 4.29Å; M61-H66 HydrophobicContact CE-CB 4.33Å; M61-H66 HydrophobicContact CG-CB 4.3Å; M61-H66 PolarHBondContact O-N 2.88Å; M61-Q67 WeakPolarHBondContact CE-O 3.34Å; M61-M68 HydrophobicContact CB-CE 3.54Å; M61-M68 VanDerWaalsContact CE-CA 3.42Å; M61-M68 HydrophobicContact CE-CB 4.2Å; M61-M68 HydrophobicContact CE-CE 4.45Å; M61-M68 HydrophobicContact CE-CG 3.9Å; M61-M68 HydrophobicContact CE-SD 4.05Å; M61-M68 HydrophobicContact CG-CE 4.08Å; M61-M68 HydrophobicContact SD-CE 3.6Å; M61-M68 HydrophobicContact SD-CG 4.22Å; M61-M68 HydrophobicContact SD-SD 3.63Å; M61-M68 VanDerWaalsContact SD-SD 3.63Å
62K94.5Very high84.7Confident178 Ų17894.1 Ų94.177%0.77453%0.531SS*.Hα-helixtrans-63.5-42.7175.7-170.9173.8-178178.30112.6K58 S59 H60K58-K62 WeakPolarHBondContact O-CB 3.45Å; K58-K62 PolarHBondContact O-N 3.01Å; S59-K62 PolarHBondContact O-N 2.79Å; H60-K62 VanDerWaalsContact C-N 3.34Å; H60-K62 PolarHBondContact O-N 3.37Å
63S95Very high82.8Confident83 Ų8395 Ų9558%0.5854%0.535SS*.Hα-helixtrans-74.1-31.6-17854.40000113.8S59 H60S59-S63 WeakPolarHBondContact O-CB 3.47Å; S59-S63 PolarHBondContact O-N 3.46Å; S59-S63 PolarHBondContact O-OG 3.24Å; H60-S63 WeakPolarHBondContact CA-OG 3.49Å; H60-S63 PolarHBondContact O-N 3.24Å; H60-S63 PolarHBondContact O-OG 3.04Å
64K91.8Very high80.8Confident134 Ų13494.6 Ų94.658%0.58355%0.545SS*.THydrogen-bonded Turntrans-93.74.6179.1-70.9-67.9-174.1179.30114H60 H66H60-K64 WeakPolarHBondContact O-CB 3.34Å; H60-K64 PolarHBondContact O-N 3.35Å; K64-H66 PolarHBondContact O-N 3.43Å; K64-H66 VanDerWaalsContact O-N 3.16Å
65N88.4Confident79.1Confident149 Ų149100.2 Ų100.280%0.79756%0.563SS**THydrogen-bonded Turntrans49.733.7-170.6-68.5-64.3000112.4M61 Q67M61-N65 PolarHBondContact O-N 3.38Å; N65-Q67 PolarHBondContact O-N 2.95Å
66H88Confident77.1Confident46 Ų4699.2 Ų99.221%0.21357%0.565CS.*PPolyproline II helixtrans-73.9117170.2-67.8-30.8000107C44 C46 H60 M61 K64 M68C44-H66 PolarHBondContact SG-CD2 2.85Å; C46-H66 HydrophobicContact CB-CB 4.2Å; C46-H66 WeakPolarHBondContact CB-ND1 3.46Å; H60-H66 AromaticContact CE1-CD2 3.96Å; H60-H66 AromaticContact NE2-CD2 3.5Å; H60-H66 PolarHBondContact NE2-CD2 3.03Å; H60-H66 AromaticContact NE2-NE2 3.92Å; M61-H66 HydrophobicContact CB-CB 4.29Å; M61-H66 HydrophobicContact CE-CB 4.33Å; M61-H66 HydrophobicContact CG-CB 4.3Å; M61-H66 PolarHBondContact O-N 2.88Å; K64-H66 PolarHBondContact O-N 3.43Å; K64-H66 VanDerWaalsContact O-N 3.16Å; H66-M68 PolarHBondContact O-N 2.74Å; H66-M68 VanDerWaalsContact O-N 3.08Å
67Q80.7Confident75.3Confident174 Ų174105.5 Ų105.581%0.81359%0.594SS**PPolyproline II helixtrans-58.2120.5176.4-142173.84600106.9M61 N65 A69M61-Q67 WeakPolarHBondContact CE-O 3.34Å; N65-Q67 PolarHBondContact O-N 2.95Å; Q67-A69 PolarHBondContact O-N 3.37Å; Q67-A69 VanDerWaalsContact O-N 3.14Å
68M67.5Low73.3Confident80 Ų80112 Ų11239%0.39463%0.628SS.*PPolyproline II helixtrans-56.1125162.1-64.8-104.6174.100104.3K58 M61 H66 S70K58-M68 HydrophobicContact CB-CE 4.08Å; K58-M68 HydrophobicContact CG-CE 3.85Å; M61-M68 HydrophobicContact CB-CE 3.54Å; M61-M68 VanDerWaalsContact CE-CA 3.42Å; M61-M68 HydrophobicContact CE-CB 4.2Å; M61-M68 HydrophobicContact CE-CE 4.45Å; M61-M68 HydrophobicContact CE-CG 3.9Å; M61-M68 HydrophobicContact CE-SD 4.05Å; M61-M68 HydrophobicContact CG-CE 4.08Å; M61-M68 HydrophobicContact SD-CE 3.6Å; M61-M68 HydrophobicContact SD-CG 4.22Å; M61-M68 HydrophobicContact SD-SD 3.63Å; M61-M68 VanDerWaalsContact SD-SD 3.63Å; H66-M68 PolarHBondContact O-N 2.74Å; H66-M68 VanDerWaalsContact O-N 3.08Å; M68-S70 PolarHBondContact O-N 3.33Å
69A65.3Low71.1Confident102 Ų102109.2 Ų109.284%0.84364%0.636SS**  trans-62.970.8150.100000105.4Q67 G71Q67-A69 PolarHBondContact O-N 3.37Å; Q67-A69 VanDerWaalsContact O-N 3.14Å; A69-G71 PolarHBondContact O-N 3.38Å
70S59.7Low68.6Low94 Ų94111.1 Ų111.166%0.65765%0.649SS**  trans-52.7106.1158.9-780000101.7M68 V72M68-S70 PolarHBondContact O-N 3.33Å; S70-V72 PolarHBondContact O-N 3.12Å
71G56.9Low66.5Low70 Ų70118 Ų11872%0.72269%0.685SS**  trans-39.7113.6178.400000106.2A69 R73A69-G71 PolarHBondContact O-N 3.38Å; G71-R73 VanDerWaalsContact C-N 3.26Å; G71-R73 PolarHBondContact O-N 3.45Å
72V52.1Low64.3Low130 Ų130123.8 Ų123.879%0.78872%0.716SS**  trans-49.4105175.6172.30000103.5S70 G74S70-V72 PolarHBondContact O-N 3.12Å; V72-G74 PolarHBondContact O-N 2.81Å
73R51.1Low62.3Low233 Ų233125 Ų12588%0.87972%0.722SS**  trans-5696.6147.1-99.2-173174.4-125.20.4101.4G71 E75G71-R73 VanDerWaalsContact C-N 3.26Å; G71-R73 PolarHBondContact O-N 3.45Å; R73-E75 PolarHBondContact O-N 3.36Å
74G48.9Very low60.2Low64 Ų64126.1 Ų126.166%0.6673%0.73SS**  trans-63.681.6167.800000105.9V72 G76V72-G74 PolarHBondContact O-N 2.81Å; G74-G76 PolarHBondContact O-N 2.95Å; G74-G76 VanDerWaalsContact O-N 3.16Å
75E56.9Low58.5Low194 Ų194128.6 Ų128.691%0.90774%0.744SS**  trans-79.167148.2-152.7176.9115.600104.7R73R73-E75 PolarHBondContact O-N 3.36Å
76G52.1Low57Low58 Ų58126.8 Ų126.860%0.59874%0.743SS**  trans-122.977.7176.300000105.1G74G74-G76 PolarHBondContact O-N 2.95Å; G74-G76 VanDerWaalsContact O-N 3.16Å
77D58.1Low55.4Low153 Ų153128.7 Ų128.782%0.81878%0.775SS**  trans-44.2144.3153.5-167.313.5000108.3
78L52Low54.4Low164 Ų164126 Ų12686%0.85977%0.765SS**  trans92.298.9-172.8-46176.4000116.9
79G46.9Very low53.9Low74 Ų74128.4 Ų128.476%0.76378%0.779SS**  trans126.886.1141.200000116.4L81G79-L81 PolarHBondContact O-N 2.77Å
80C45Very low54.1Low120 Ų120132.5 Ų132.581%0.81177%0.773SS**  trans-32.9114.3165.6-52.10000114.6
81L51.7Low53.8Low158 Ų158136.7 Ų136.783%0.82778%0.782SS**  trans-132.2105.7150.5-71.5178.8000108.4G79 F83G79-L81 PolarHBondContact O-N 2.77Å; L81-F83 PolarHBondContact O-N 2.94Å
82N47.4Very low53.6Low142 Ų142137.3 Ų137.376%0.75978%0.78SS**  trans-60.5116.5175-71.4-44.7000110.7
83F53.2Low53.6Low202 Ų202136.9 Ų136.989%0.88677%0.772SS**  trans-128.582150.2-81.5-82.8000107.7L81 E85L81-F83 PolarHBondContact O-N 2.94Å; F83-E85 PolarHBondContact O-N 3.05Å
84S51Low53.5Low107 Ų107131 Ų13175%0.74877%0.766SS**  trans-65.8114.2161.5-45.90000107.7
85E55.6Low53.5Low187 Ų187135.8 Ų135.887%0.87478%0.776SS**  trans176.887.8141.7-151161.1108.400110.9F83F83-E85 PolarHBondContact O-N 3.05Å
86S57.6Low53.1Low111 Ų111131.4 Ų131.478%0.77677%0.767SS**  trans161.697.4141.946.40000109.2I88S86-I88 PolarHBondContact O-N 3.23Å
87G53.3Low52.9Low86 Ų86134 Ų13489%0.88778%0.776SS**  trans-70.595.6178.900000112
88I60.3Low52.8Low117 Ų117135.3 Ų135.360%0.678%0.782SS**  trans-130.796.1162.1-50.8170.8000107.3S86 W90S86-I88 PolarHBondContact O-N 3.23Å; I88-W90 HydrophobicContact CG2-CD2 4.33Å; I88-W90 HydrophobicContact CG2-CG 4.39Å; I88-W90 HydrophobicContact CG2-CZ2 4.1Å; I88-W90 VanDerWaalsContact CG2-NE1 3.25Å; I88-W90 PolarHBondContact O-N 3.02Å
89D57.3Low52.6Low130 Ų130131 Ų13170%0.69578%0.777SS**  trans-76.5111.7170.7-173.50.4000109H91D89-H91 WeakPolarHBondContact OD1-CB 3.49Å; D89-H91 IonicContact OD1-CD2 3.85Å; D89-H91 PolarHBondContact OD1-N 2.99Å
90W68.7Low53.4Low188 Ų188133.1 Ų133.171%0.71278%0.78SS**  trans-92.57.3177.5-74.897.2000112.9I88 A92 I93I88-W90 HydrophobicContact CG2-CD2 4.33Å; I88-W90 HydrophobicContact CG2-CG 4.39Å; I88-W90 HydrophobicContact CG2-CZ2 4.1Å; I88-W90 VanDerWaalsContact CG2-NE1 3.25Å; I88-W90 PolarHBondContact O-N 3.02Å; W90-A92 VanDerWaalsContact C-N 3.3Å; W90-A92 PolarHBondContact O-N 3Å; W90-I93 HydrophobicContact CE3-CD1 4.32Å; W90-I93 HydrophobicContact CZ3-CD1 4.38Å
91H53.8Low53.9Low183 Ų183133.1 Ų133.185%0.84778%0.779SS**  trans-85.99.1-176.5-77.4-76.7000115.5D89D89-H91 WeakPolarHBondContact OD1-CB 3.49Å; D89-H91 IonicContact OD1-CD2 3.85Å; D89-H91 PolarHBondContact OD1-N 2.99Å
92A52Low54Low83 Ų83131.1 Ų131.169%0.68678%0.778SS**  trans-121.466.1176.200000112.5W90W90-A92 VanDerWaalsContact C-N 3.3Å; W90-A92 PolarHBondContact O-N 3Å
93I52.6Low54.6Low120 Ų120130 Ų13062%0.61578%0.782SS**  trans-119.471.4155.5-45.8177.3000107.7W90 L95W90-I93 HydrophobicContact CE3-CD1 4.32Å; W90-I93 HydrophobicContact CZ3-CD1 4.38Å; I93-L95 PolarHBondContact O-N 2.93Å; I93-L95 VanDerWaalsContact O-N 3.14Å
94S49.1Very low55.1Low109 Ų109125.8 Ų125.876%0.76277%0.772SS**  trans-62.4106.1157.6-74.20000107.8S96S94-S96 PolarHBondContact O-N 3.29Å
95L48.8Very low55.3Low165 Ų165127.2 Ų127.286%0.86477%0.771SS**  trans-69.880.9171.5-73.9161.8000109.2I93I93-L95 PolarHBondContact O-N 2.93Å; I93-L95 VanDerWaalsContact O-N 3.14Å
96S48.6Very low55.1Low102 Ų102123.5 Ų123.571%0.71376%0.762SS**  trans-88.5105.3166.2-63.10000109.3S94S94-S96 PolarHBondContact O-N 3.29Å
97S47.3Very low55.4Low114 Ų114125.9 Ų125.980%0.79776%0.764SS**  trans51.7100.5130.3-150.90000118.5
98L56.8Low55.3Low179 Ų179126.8 Ų126.894%0.93776%0.755SS**  trans-155.799.4145.7-89.8128.4000104.8
99G48Very low55.1Low73 Ų73128.9 Ų128.975%0.75377%0.767SS**  102.986.57900000108.2
100S62.8Low54.8Low120 Ų120128.7 Ų128.784%0.83977%0.77SS**  trans-135.6115.2172-70.60000108.1
101P56.9Low54.1Low119 Ų119125.1 Ų125.177%0.77377%0.774SS**  trans-92147.8173.933-28.6000112
102S52.3Low54Low117 Ų117124.9 Ų124.982%0.81877%0.773SS**  trans65.3104.3153.9660000118.4
103S59.6Low54Low119 Ų119127.1 Ų127.183%0.83278%0.778SS**  -166.6139.1102.6-154.30000110.9
104V64.3Low53.9Low112 Ų112126.9 Ų126.968%0.67978%0.782SS**  trans-57149.7176-60.40000110.8
105D54.9Low54.2Low138 Ų138128.6 Ų128.674%0.73879%0.788SS**  -172.1142.354.8-102.3-50000110.6
106T51.9Low54.3Low109 Ų109124.1 Ų124.167%0.66978%0.781SS**  trans58.1105.7135.4-310000121.9
107L64.8Low54.2Low160 Ų160126.1 Ų126.184%0.83879%0.789SS**  165.1137.5103.9-84.5174.9000112.4
108P51Low55Low106 Ų106126.3 Ų126.369%0.68879%0.791SS**  trans-101.7158.5-177.439-31.4000112.6
109L54.8Low54.5Low161 Ų161125.6 Ų125.684%0.84378%0.783SS**  trans-177.796.6147.9-118.275.8000108.1
110T51.6Low55Low125 Ų125127.8 Ų127.877%0.76778%0.784SS**  59.2115.9100.163.60000116.9
111S54.5Low54.3Low113 Ų113129.9 Ų129.979%0.7978%0.778SS**  163.496.5125.2-161.70000108.4
112Q51.6Low54.3Low178 Ų178135.9 Ų135.983%0.83279%0.785SS**  58.212592.1-65.9-159.636.800116
113V52.4Low53.9Low130 Ų130138.5 Ų138.579%0.78878%0.784SS**  trans160.994143.9159.80000106.1
114T50.4Low54Low115 Ų115138.6 Ų138.671%0.70679%0.785SS**  48.5125.293.558.80000113.1
115V54.8Low53.2Low146 Ų146141.2 Ų141.289%0.88579%0.79SS**  -179.6148.471.1165.70000107.6
116G51.3Low53.1Low70 Ų70141.6 Ų141.672%0.72279%0.791SS**  trans137.876.4145.200000117.2
117T45.6Very low53.5Low144 Ų144141.9 Ų141.988%0.88379%0.792SS**  trans-89.2135.3173.2-28.90000110.8
118S63.9Low52.8Low118 Ų118141.2 Ų141.283%0.82579%0.79SS**  trans-162.4105150.558.50000111.4
119E46.2Very low53Low164 Ų164143.9 Ų143.977%0.76680%0.798SS**  trans-83.3154.7161-111.6-138.39600110K121E119-K121 PolarHBondContact OE1-N 3.37Å; E119-K121 VanDerWaalsContact OE1-N 3.07Å
120P60.2Low52.9Low120 Ų120139.8 Ų139.878%0.77979%0.788SS**  -147.1125.2109.433.2-14.9000115.5
121K48.3Very low53.2Low164 Ų164144.4 Ų144.471%0.71379%0.791SS**  43.9109.3109.6-166.2169.4-173.6170.70119.1E119E119-K121 PolarHBondContact OE1-N 3.37Å; E119-K121 VanDerWaalsContact OE1-N 3.07Å
122R57Low53.5Low245 Ų245146.5 Ų146.593%0.92579%0.792SS**  trans176.6105.6140.3-101.6177.6176.2164.40.8107.1
123E43.2Very low53.5Low171 Ų171141.1 Ų141.180%0.79978%0.784SS**  59.193.261.1-158158102.700114.9
124S60.8Low53.6Low121 Ų121147 Ų14785%0.84679%0.792SS**  trans-171.391.1151.9-94.60000106.2
125Q48.8Very low53.9Low168 Ų168149.8 Ų149.879%0.78580%0.797SS**  49.6113.293.4-86.4-159.47.600116.1
126L51.1Low53.8Low145 Ų145150.7 Ų150.776%0.75979%0.792SS**  101127.4125.7-116.7101.9000119.8
127V62Low54Low115 Ų115155.4 Ų155.470%0.69779%0.794SS**  trans97.3103.8149.5-148.50000118.1
128D49.7Very low54.1Low147 Ų147156 Ų15679%0.78679%0.787SS**  trans-13.6134.8141.6-68.7-96.7000116
129D55.2Low54Low161 Ų161157.9 Ų157.986%0.86179%0.787SS**  -163.1150.1107.3-129.8-61.4000111.5
130A52.1Low53.8Low76 Ų76155.4 Ų155.463%0.62878%0.783SS**  trans-81.9-179.2-169.300000112.4
131R59Low53.4Low221 Ų221158 Ų15883%0.83479%0.79SS**  trans97122.1137.2-103.2-178.9-178.5-163.12118.4
132I59.4Low53.4Low158 Ų158155 Ų15581%0.8179%0.786SS**  trans84.3127.7144.5-49.7150.8000113.9
133G52.5Low53Low65 Ų65151.8 Ų151.867%0.6778%0.781SS**  cis-170.2148.99.600000111.4Q135G133-Q135 PolarHBondContact O-N 2.81Å
134R53.6Low53.4Low253 Ų253152 Ų15296%0.95579%0.786SS**  trans-77.8108.5168.2-70.9-175.8179.6-152.60.7108.3
135Q57.3Low52.7Low173 Ų173156.8 Ų156.881%0.80879%0.787SS**  trans-86.6113.9165.4-76.5-172.37.300109.6G133G133-Q135 PolarHBondContact O-N 2.81Å
136Q53.5Low52.6Low165 Ų165159.7 Ų159.777%0.77179%0.791SS**  trans-67.1118.5166.2-68.7174.2-19.300109Q138Q136-Q138 PolarHBondContact O-N 3.43Å
137H54Low52.4Low169 Ų169161 Ų16178%0.78280%0.798SS**  trans-82.889161.4-78.3-78.2000108.9
138Q48.7Very low52Low156 Ų156160.1 Ų160.173%0.72980%0.802SS**  trans-71.7114.9155.6-77.1-169.94700107.9Q136Q136-Q138 PolarHBondContact O-N 3.43Å
139L61.8Low51.8Low158 Ų158160.4 Ų160.483%0.82780%0.804SS**  trans-97.6100164.9-74.3173.5000108.8L141L139-L141 PolarHBondContact O-N 3.42Å
140T42.1Very low52Low112 Ų112160 Ų16069%0.68780%0.801SS**  trans-58.1116.4165.7-28.90000109.3
141L51.1Low52.6Low174 Ų174162 Ų16291%0.91181%0.808SS**  trans-116.879.3171.5-140.5120.9000108.9L139L139-L141 PolarHBondContact O-N 3.42Å
142T49.5Very low52.8Low103 Ų103157 Ų15763%0.63280%0.804SS**  trans-86.9128.7173.219.10000110.5
143Q46.8Very low52.4Low177 Ų177154.8 Ų154.883%0.82780%0.803SS**  trans57.794.4141.3-64.4-178.9-22.400118.5
144I53.2Low52.9Low174 Ų174158 Ų15889%0.89281%0.81SS**  trans-133.487145.2-52.8179.5000107.8
145Y45.3Very low53.1Low223 Ų223156.8 Ų156.888%0.87581%0.805SS**  trans-105.1148.3160.8-101.1-91000107.8
146R47.4Very low52.7Low228 Ų228160.1 Ų160.186%0.8681%0.81SS**  trans92.3105.8172.1-53.9-169.2172.9-179.2-1.4115.4
147L46.1Very low52.9Low174 Ų174160.4 Ų160.491%0.91182%0.816SS**  -174.5148.2105.2-117.285.2000109.9
148A53.5Low52.8Low96 Ų96158 Ų15879%0.79382%0.819SS**  trans111.478.9155.900000117.1
149D45Very low53.1Low153 Ų153153.8 Ų153.882%0.81882%0.817SS**  trans-56.9124.4141-73-71.7000111.1
150N60.7Low52.9Low151 Ų151154 Ų15481%0.80782%0.819SS**  trans156.2124.8135-92.6-71.3000111.6
151P63.4Low53.6Low118 Ų118159.1 Ų159.177%0.76683%0.825SS**  trans-96137.8167.934.4-27.7000111.5
152P64.3Low54.2Low117 Ų117156.3 Ų156.376%0.7682%0.817SS**  trans-90.5124165.932.2-26.3000111.1V154P152-V154 PolarHBondContact O-N 3.34Å
153S51.7Low54.9Low112 Ų112159.4 Ų159.478%0.78383%0.825SS**  trans-33.4124.1155.2172.20000113.8
154V61.8Low56.1Low133 Ų133157.2 Ų157.281%0.80682%0.823SS**  trans-143.6100155.3-137.20000112.2P152P152-V154 PolarHBondContact O-N 3.34Å
155R58.1Low56.8Low227 Ų227154.4 Ų154.486%0.85782%0.816SS**  trans21.4121.5141.3-68.1-180177.9174.6-0.6119.9
156R48.7Very low57.5Low243 Ų243150.5 Ų150.592%0.91782%0.816SS**  trans-49.5129.3150.2-69.8175.5175.7177.9-2.1111.3
157L58.7Low58.5Low170 Ų170145.3 Ų145.389%0.8981%0.814SS**  trans-129.4105.2155.6-93162.8000108.2
158S51.2Low59.2Low120 Ų120141.3 Ų141.384%0.83981%0.806SS**  trans-66129.1164.1-41.60000108.4
159G54.2Low59.1Low67 Ų67145.7 Ų145.769%0.69181%0.81SS**  trans-157.491.6-177.400000113.3
160N58.4Low59.9Low163 Ų163144.2 Ų144.287%0.87281%0.807SS**  trans54.1107.4140.1-60.4-23.9000120.2
161R56.2Low59.9Low218 Ų218143.7 Ų143.782%0.82380%0.804SS**PPolyproline II helixtrans-94.4121.7161.9175.3-176.4-176.1-176.31.2109.4
162P64.9Low59.5Low115 Ų115143.9 Ų143.975%0.74780%0.799SS**PPolyproline II helixtrans-91.3133.3159.9-4.623.6000110.4
163Q63.6Low58.9Low169 Ų169145.8 Ų145.879%0.7980%0.803SS**PPolyproline II helixtrans-81.4144167.3-66-168.31100109.9
164V71.3Confident59Low131 Ų131143.6 Ų143.679%0.79480%0.798SS**  trans-119.4129.6167.7-162.70000107.3
165P69.2Low58.7Low115 Ų115147 Ų14775%0.74780%0.803SS**  trans-83.3138.5178.930.8-30.1000111.8
166T58.8Low58.8Low141 Ų141142.6 Ų142.687%0.86580%0.801SS**  trans-79.1129.2172.1-42.80000109.3
167S69.2Low59.2Low118 Ų118140.2 Ų140.283%0.82580%0.798SS**  trans-125.4121.3168-57.60000108.6
168A61.3Low59.1Low90 Ų90137.6 Ų137.674%0.74479%0.791SS**  trans-96.5133-177.200000111.2
169Q51.2Low59.2Low188 Ų188136.4 Ų136.488%0.87979%0.788SS**  trans30.2122.3140.8-71.4177.1-33.400120.5
170T61.5Low59Low122 Ų122144.6 Ų144.675%0.74880%0.798SS**  trans-143.2128.3137.941.30000108.8
171N60.5Low58.5Low140 Ų140141.8 Ų141.875%0.74980%0.797SS**  43.4146.7126.6-51.6-7.1000118.6
172D55.4Low58Low123 Ų123134.5 Ų134.566%0.65879%0.79SS**  cis-166.7158.60.1-120-56.7000105.3
173D51.6Low57.7Low156 Ų156137.8 Ų137.883%0.83480%0.797SS**  trans43.8133.5150.7-65.9-41.5000123.7
174G53.8Low57.4Low67 Ų67135 Ų13569%0.69180%0.796SS**  trans146.991.5146.200000116.6
175F55.1Low56.2Low205 Ų205134.1 Ų134.190%0.89980%0.796SS**  trans35.9125139.7-84.2-96.8000120.5
176T59.9Low55.5Low133 Ų133134.6 Ų134.682%0.81680%0.802SS**  157.9125.2114.2-61.20000110.7
177F56.4Low54.8Low194 Ų194132.7 Ų132.785%0.85180%0.801SS**  trans-84.6-175.5178.5-87.9-76.5000112.3
178P58Low54Low115 Ų115131.9 Ų131.975%0.74780%0.801SS**  -119177.9-103.430.3-5.6000111.6
179A52.8Low53.8Low94 Ų94133.7 Ų133.778%0.77780%0.803SS**  trans159.8147.3137.500000112.3
180R49.2Very low53.7Low240 Ų240128 Ų12891%0.90679%0.794SS**  trans93.4106.3141-139.3169.6-177.9170.1-0.3118.6
181A48.2Very low53.2Low104 Ų104130.8 Ų130.886%0.8680%0.798SS**  trans29123.9134.300000120.1
182G46.6Very low52.7Low64 Ų64131.1 Ų131.166%0.6680%0.8SS**  trans17894.516300000108
183M58.8Low52.7Low184 Ų184136.2 Ų136.291%0.90681%0.81SS**  71.3147.492-63.9176.988.300114.4
184S55.8Low52.7Low110 Ų110133.1 Ų133.177%0.76980%0.801SS**  trans76.991.5164.937.10000119.5
185S48Very low52.8Low114 Ų114136 Ų13680%0.79781%0.805SS**  12.6121.6114.1-46.80000117.5
186S53.4Low52.6Low124 Ų124131.8 Ų131.887%0.86780%0.796SS**  trans-159107.4139.4-80.10000109A188S186-A188 PolarHBondContact O-N 2.88Å
187A44.3Very low52.5Low101 Ų101132.8 Ų132.884%0.83579%0.791SS**  trans-72.6108169.700000108.3V189A187-V189 PolarHBondContact O-N 3.11Å
188A53.3Low52.2Low101 Ų101134 Ų13484%0.83579%0.79SS**  trans-80.9110.2166.700000108.7S186 G190S186-A188 PolarHBondContact O-N 2.88Å; A188-G190 PolarHBondContact O-N 3.36Å
189V55.2Low52.1Low129 Ų129133.3 Ų133.378%0.78279%0.787SS**  trans-67.294167.4175.20000107.4A187A187-V189 PolarHBondContact O-N 3.11Å
190G51Low52.5Low67 Ų67136 Ų13669%0.69179%0.787SS**  trans-93111.9171.500000110A188 D192A188-G190 PolarHBondContact O-N 3.36Å; G190-D192 PolarHBondContact O-N 2.87Å
191H50Low52.7Low181 Ų181130.2 Ų130.284%0.83878%0.779SS**  trans-59.998.3170.2-78.7-77.7000110.6R193H191-R193 PolarHBondContact O-N 2.9Å
192D50.6Low53Low147 Ų147132 Ų13279%0.78677%0.765SS**  trans-81101.8169.2-151.7-43.4000108.7G190 S194G190-D192 PolarHBondContact O-N 2.87Å; D192-S194 PolarHBondContact O-N 3.44Å
193R54.1Low53.1Low231 Ų231136 Ų13687%0.87277%0.771SS**  trans-65.783.6163.4-85.8-179.7158.7-179.1-4.8107.3H191 T195H191-R193 PolarHBondContact O-N 2.9Å; R193-T195 VanDerWaalsContact C-N 3.25Å; R193-T195 PolarHBondContact O-N 3.4Å; R193-T195 PolarHBondContact O-OG1 3.04Å
194S51.4Low53Low91 Ų91132.7 Ų132.764%0.63676%0.761SS**  trans-64.186.7171.8174.60000109.6D192 V196D192-S194 PolarHBondContact O-N 3.44Å; S194-V196 VanDerWaalsContact C-N 3.33Å; S194-V196 PolarHBondContact O-N 2.68Å
195T57.5Low52.8Low126 Ų126131 Ų13177%0.77375%0.754SS**  trans-62.497.6163.9-30.10000106.5R193 Q197R193-T195 VanDerWaalsContact C-N 3.25Å; R193-T195 PolarHBondContact O-N 3.4Å; R193-T195 PolarHBondContact O-OG1 3.04Å; T195-Q197 PolarHBondContact O-N 3.14Å
196V50.7Low53.2Low118 Ų118131.2 Ų131.272%0.71575%0.753SS**  trans-67.986.2174.4-175.40000106.9S194 R198S194-V196 VanDerWaalsContact C-N 3.33Å; S194-V196 PolarHBondContact O-N 2.68Å; V196-R198 PolarHBondContact O-N 3.04Å
197Q56.6Low53.6Low153 Ų153131.2 Ų131.272%0.71574%0.742SS**  trans-6992.7169.8-138167.2-2.600105.5T195 C199T195-Q197 PolarHBondContact O-N 3.14Å; Q197-C199 PolarHBondContact O-N 2.84Å
198R50.6Low53.9Low220 Ų220133.1 Ų133.183%0.8374%0.738SS**  trans-47.9115170.1-90.3179.9169.9140-3.8107.2V196 L200V196-R198 PolarHBondContact O-N 3.04Å; R198-L200 VanDerWaalsContact C-N 3.3Å; R198-L200 PolarHBondContact O-N 3.43Å
199C55.9Low54Low101 Ų101137.4 Ų137.468%0.68273%0.734SS**  trans-58.2101.6162.8-63.80000106.4Q197 T201Q197-C199 PolarHBondContact O-N 2.84Å; C199-T201 PolarHBondContact O-N 2.79Å; C199-T201 VanDerWaalsContact O-N 3.14Å
200L61Low53.7Low149 Ų149137.4 Ų137.478%0.7873%0.729SS**  trans-57.6120.7168.7-67.8171.8000106.2R198 Y202R198-L200 VanDerWaalsContact C-N 3.3Å; R198-L200 PolarHBondContact O-N 3.43Å; L200-Y202 PolarHBondContact O-N 3.21Å
201T54Low53.8Low120 Ų120140.3 Ų140.374%0.73673%0.734SS**  trans-48.9114.8164.834.90000107.2C199 N203C199-T201 PolarHBondContact O-N 2.79Å; C199-T201 VanDerWaalsContact O-N 3.14Å; T201-N203 PolarHBondContact O-N 3.22Å
202Y55.1Low53.9Low142 Ų142135.8 Ų135.856%0.55773%0.727SS**  trans-6390.3167-84-94.2000106.9L200 T204L200-Y202 PolarHBondContact O-N 3.21Å; Y202-T204 VanDerWaalsContact C-N 3.26Å; Y202-T204 PolarHBondContact O-N 2.83Å
203N48.7Very low53.9Low146 Ų146138.2 Ų138.278%0.78173%0.734SS**  trans-65.999155.2-87.1-13.5000105.2T201 A205T201-N203 PolarHBondContact O-N 3.22Å; N203-A205 PolarHBondContact O-N 2.95Å
204T55.1Low53.7Low115 Ų115139.4 Ų139.471%0.70674%0.739SS**  trans-66.177.1161.541.50000107.6Y202Y202-T204 VanDerWaalsContact C-N 3.26Å; Y202-T204 PolarHBondContact O-N 2.83Å
205A52.5Low54.1Low74 Ų74139.9 Ų139.961%0.61274%0.742SS**  trans-63.5134.4153.600000106.6N203 I207N203-A205 PolarHBondContact O-N 2.95Å; A205-I207 PolarHBondContact O-N 3.47Å
206P55.7Low53.8Low120 Ų120139.7 Ų139.778%0.77974%0.743SS**  trans-57.2125.617124.1-30.3000107.7D208P206-D208 VanDerWaalsContact C-N 3.28Å; P206-D208 PolarHBondContact O-N 3.37Å
207I61.5Low54Low124 Ų124143 Ų14364%0.63675%0.748SS**  trans-70.697.2169.7-60170.9000104.9A205 Y209A205-I207 PolarHBondContact O-N 3.47Å; I207-Y209 HydrophobicContact CB-CD2 4.29Å; I207-Y209 HydrophobicContact CB-CE2 3.98Å; I207-Y209 HydrophobicContact CG2-CD1 4.44Å; I207-Y209 HydrophobicContact CG2-CD2 3.73Å; I207-Y209 HydrophobicContact CG2-CE1 4.26Å; I207-Y209 HydrophobicContact CG2-CE2 3.51Å; I207-Y209 HydrophobicContact CG2-CG 4.2Å; I207-Y209 WeakPolarHBondContact O-CD2 3.44Å; I207-Y209 PolarHBondContact O-N 3.47Å; I207-Y209 VanDerWaalsContact O-N 3.14Å
208D51.2Low54Low141 Ų141141 Ų14175%0.75475%0.746SS**  trans-66.5103.7165.4-141.5-33.9000106.6P206 D210P206-D208 VanDerWaalsContact C-N 3.28Å; P206-D208 PolarHBondContact O-N 3.37Å; D208-D210 PolarHBondContact O-N 3.5Å
209Y56.1Low53.9Low191 Ų191139.7 Ų139.775%0.74975%0.75SS**  trans-7967.9174-79.8-87.5000108.4I207 T211I207-Y209 HydrophobicContact CB-CD2 4.29Å; I207-Y209 HydrophobicContact CB-CE2 3.98Å; I207-Y209 HydrophobicContact CG2-CD1 4.44Å; I207-Y209 HydrophobicContact CG2-CD2 3.73Å; I207-Y209 HydrophobicContact CG2-CE1 4.26Å; I207-Y209 HydrophobicContact CG2-CE2 3.51Å; I207-Y209 HydrophobicContact CG2-CG 4.2Å; I207-Y209 WeakPolarHBondContact O-CD2 3.44Å; I207-Y209 PolarHBondContact O-N 3.47Å; I207-Y209 VanDerWaalsContact O-N 3.14Å; Y209-T211 VanDerWaalsContact C-N 3.32Å; Y209-T211 PolarHBondContact O-N 3Å; Y209-T211 VanDerWaalsContact O-N 3.07Å; Y209-T211 PolarHBondContact O-OG1 3.07Å
210D47.8Very low54.1Low128 Ų128139 Ų13968%0.68475%0.746SS**  trans-83.382.8172-152.2-16.1000110.3D208 A212D208-D210 PolarHBondContact O-N 3.5Å; D210-A212 PolarHBondContact O-N 2.98Å
211T54.4Low53.6Low129 Ų129137.3 Ų137.379%0.79175%0.747SS**  20.263.7126.1-43.40000117.8Y209Y209-T211 VanDerWaalsContact C-N 3.32Å; Y209-T211 PolarHBondContact O-N 3Å; Y209-T211 VanDerWaalsContact O-N 3.07Å; Y209-T211 PolarHBondContact O-OG1 3.07Å
212A50.6Low54.1Low85 Ų85141.2 Ų141.270%0.70275%0.749SS**  trans-15784.7160.400000112.4D210D210-A212 PolarHBondContact O-N 2.98Å
213Q50.6Low53.8Low198 Ų198146.4 Ų146.493%0.92577%0.768SS**  trans-162.885.8141.2-84.2-124.6-4.400109.5
214R50.7Low53.8Low256 Ų256146.9 Ų146.997%0.96677%0.769SS**  trans-62.6123.9160-89.9178.8162.9-150.8-1.9108.9
215S59.2Low53.7Low101 Ų101147.4 Ų147.471%0.70678%0.775SS**  trans-110137.8151.399.40000108.2
216P52.5Low53.6Low122 Ų122148.5 Ų148.579%0.79278%0.778SS**  trans-94.7114.1-176.834-25.9000110
217F54.8Low53.9Low187 Ų187150.9 Ų150.982%0.8278%0.783SS**  trans-141.2108.4161.3-107.7-87.1000111.2
218T57.1Low53.5Low111 Ų111151.5 Ų151.568%0.68179%0.788SS**  trans58.5100.3140.756.50000120.4
219Q48Very low54.2Low194 Ų194152.2 Ų152.291%0.90779%0.792SS**  38.7106.4125.8-65.5-178.83.600118.4
220S58.9Low54.5Low86 Ų86149.8 Ų149.860%0.60179%0.792SS**  trans-157.6114139.3-158.40000110.2Y222S220-Y222 WeakPolarHBondContact OG-CE2 3.13Å; S220-Y222 VanDerWaalsContact OG-CZ 3.31Å; S220-Y222 PolarHBondContact OG-OH 3.14Å
221S51.1Low55.5Low113 Ų113153.2 Ų153.279%0.7980%0.801SS**  trans-86.4113.7-173.9-57.10000110.8
222Y65.2Low56.5Low203 Ų203153 Ų15380%0.79680%0.799SS**  trans-136.7125.8158.1-46.3-76000109.3S220S220-Y222 WeakPolarHBondContact OG-CE2 3.13Å; S220-Y222 VanDerWaalsContact OG-CZ 3.31Å; S220-Y222 PolarHBondContact OG-OH 3.14Å
223R47.6Very low57.5Low250 Ų250154.3 Ų154.394%0.94380%0.801SS**  trans-70.6149.9-174-76.8-174.9168.4-170.8-1.9113
224L50.4Low58.8Low156 Ų156153.2 Ų153.282%0.81780%0.8SS**  trans-65.4175.9171.7-53.9162.2000112.4
225P52.9Low60.1Low126 Ų126149.8 Ų149.882%0.81880%0.795SS**  -140.4154.475.122.80.6000116.8
226S50.2Low60.9Low98 Ų98152.8 Ų152.869%0.68580%0.803SS**  trans-47.4140.8172.8-50.80000115.7
227L61.6Low62.1Low169 Ų169156.1 Ų156.189%0.88581%0.805SS**  trans-117.3106.8155.9-75.9171.9000108.6
228N52.8Low63.1Low137 Ų137156.1 Ų156.173%0.73381%0.808SS**  trans-59127.9159.9-88.6-8.4000108.5
229N66.2Low64.1Low156 Ų156158.4 Ų158.483%0.83482%0.815SS**  trans-116.899.2157-89.6-18.9000107F231N229-F231 PolarHBondContact O-N 3.34Å
230D62.1Low65.5Low141 Ų141161.7 Ų161.775%0.75483%0.83SS**  trans-61.1116.2165.1-67.8-67.7000109.2
231F68.6Low65.8Low200 Ų200165.5 Ų165.588%0.87784%0.842SS**  trans-99.6109.1172-136.9-92.9000108.3N229N229-F231 PolarHBondContact O-N 3.34Å
232V74.7Confident66.6Low124 Ų124168.3 Ų168.375%0.75284%0.844SS**  trans-73129.6178.3176.60000110
233P71.6Confident66.6Low113 Ų113166.3 Ų166.373%0.73485%0.847SS**  trans-77.1131.4168.6-9.926.9000110.9E235P233-E235 PolarHBondContact O-N 2.94Å
234L78.6Confident67.8Low175 Ų175161.4 Ų161.492%0.91684%0.841SS**  trans-75.5113.9174.4-169.273.4000109.1
235E78.8Confident68.8Low183 Ų183161.8 Ų161.886%0.85584%0.843SS**  trans-80.7126171.7-64.8-163.2124.600110.8P233P233-E235 PolarHBondContact O-N 2.94Å
236D75.2Confident69.9Low164 Ų164164.1 Ų164.188%0.87785%0.845SS**  trans-78.4124.2174.1-136.4-44.7000109.2
237K77.5Confident71.3Confident192 Ų192168.9 Ų168.984%0.83586%0.856SS**  trans-100111.7174.9-82.7-177176-178.70109.5
238H77Confident72.1Confident188 Ų188168.8 Ų168.887%0.8785%0.854SS**  trans-57129.5169.2-137-95.5000110.9
239L78.3Confident73.7Confident158 Ų158171.5 Ų171.583%0.82786%0.864SS**  trans-79.5131.3162.9-111.380.2000108.7
240E75.4Confident74.3Confident264 Ų264172.9 Ų172.9100%1.23487%0.866SS**  trans-98.10148.5-90.2179.699.100108.9

Retrieved 240 of 240 residues in 271.3 ms (Link to these results)