G4LVC1_SCHMA Loading...

Spliceosome-associated protein CWC15 homolog

AlphaFold DB , UniProt , Accession G4LVC1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 288 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
1M72.2Confident90.2Very high245 Ų245142.7 Ų142.7100%1.20780%0.796SS**  0142.70-69.5168.4170.200108.2
2T81.4Confident90.4Very high133 Ų133139.6 Ų139.682%0.81680%0.802SS**  trans-94.5142.5177.841.10000111A4T2-A4 PolarHBondContact O-N 2.88Å
3T88.5Confident90.6Very high133 Ų133142.9 Ų142.982%0.81680%0.801SS**THydrogen-bonded Turntrans-89.86.7-171.247.90000114.7
4A91.8Very high90.6Very high90 Ų90136.2 Ų136.274%0.74478%0.78SS**THydrogen-bonded Turntrans-68.7-35.1-175.500000113.5T2 R6T2-A4 PolarHBondContact O-N 2.88Å; A4-R6 VanDerWaalsContact C-N 3.26Å; A4-R6 PolarHBondContact O-N 3.25Å
5G93Very high90.3Very high82 Ų82132.7 Ų132.785%0.84577%0.767SS**  trans-77.668.7177.500000112.5
6R91.7Very high89.9Confident212 Ų212139.2 Ų139.280%0.878%0.775SS**  trans-100144.3178.666.8-178.5179.8122-0.7112.1A4A4-R6 VanDerWaalsContact C-N 3.26Å; A4-R6 PolarHBondContact O-N 3.25Å
7P94.1Very high89.4Confident79 Ų79133.5 Ų133.551%0.51376%0.755SS.*  trans-71.6162.3169.732.1-35.9000111.7W9P7-W9 HydrophobicContact CG-CZ2 3.9Å
8T94.5Very high88.7Confident117 Ų117131.3 Ų131.372%0.71874%0.736SS**  trans-92.1109.8173.6-58.40000109.5D10T8-D10 WeakPolarHBondContact CG2-O 3.27Å
9W94.3Very high88Confident229 Ų229131.7 Ų131.787%0.86773%0.725SS**SBendtrans-86-46.8175.3-61109.9000112P7P7-W9 HydrophobicContact CG-CZ2 3.9Å
10D95.6Very high87.9Confident135 Ų135129.4 Ų129.472%0.72271%0.708SS**SBendtrans-98.2127.9173.5-68.3-78.6000110.8T8T8-D10 WeakPolarHBondContact CG2-O 3.27Å
11T95.2Very high87.5Confident115 Ų115127 Ų12771%0.70671%0.713SS**PPolyproline II helixtrans-75.7152.7171.652.50000111.7K13T11-K13 PolarHBondContact O-N 3.19Å
12A92.9Very high87.6Confident105 Ų105119.5 Ų119.587%0.86868%0.678SS**PPolyproline II helixtrans-64.7124.5173.600000110.2
13K92.5Very high87.2Confident183 Ų183119.1 Ų119.180%0.79667%0.67SS**PPolyproline II helixtrans-83.8137.6176.9-62178-176.51760109.6T11T11-K13 PolarHBondContact O-N 3.19Å
14G90.2Very high86.2Confident49 Ų49118 Ų11851%0.50567%0.668SS.*SBendtrans-70.2-161.1170.200000112.8
15S86.5Confident85.4Confident83 Ų83117.6 Ų117.658%0.5867%0.665SS**SBendtrans69.519.2-170.3-165.20000115.8E20S15-E20 WeakPolarHBondContact CA-OE2 3.26Å; S15-E20 PolarHBondContact N-OE1 3.28Å; S15-E20 PolarHBondContact N-OE2 3.11Å
16R83.2Confident84.8Confident237 Ų237118 Ų11889%0.89465%0.648SS**SBendtrans-143.2-1.4-179.2-67.3-169.3178.4-169.5-0.2115.5E20R16-E20 PolarHBondContact N-OE2 2.83Å
17G81.7Confident84.5Confident42 Ų42110 Ų11043%0.43362%0.624SS.*SBendtrans-88-174.5177.600000114W19 E20G17-W19 PolarHBondContact O-N 3.33Å; G17-E20 WeakPolarHBondContact CA-OE2 3.48Å; G17-E20 PolarHBondContact N-OE2 3.11Å; G17-E20 WeakPolarHBondContact O-CB 3.41Å; G17-E20 PolarHBondContact O-N 3.25Å
18K76.8Confident84.3Confident95 Ų95116 Ų11641%0.41364%0.642SS.*THydrogen-bonded Turntrans-55.4130.9171.7-174.1-158.4178.5-163.50109.9E20 Q29 D34K18-E20 VanDerWaalsContact C-N 3.28Å; K18-E20 PolarHBondContact O-N 3.39Å; K18-Q29 WeakPolarHBondContact CE-O 3.4Å; K18-Q29 PolarHBondContact NZ-O 2.76Å; K18-D34 IonicContact NZ-OD2 3.7Å
19W76.8Confident84.1Confident138 Ų138117.3 Ų117.352%0.52364%0.64SS.*THydrogen-bonded Turntrans72.13.1-174.6-43107.6000116.4G17 L26G17-W19 PolarHBondContact O-N 3.33Å; W19-L26 HydrophobicContact CE3-CD1 3.45Å; W19-L26 VanDerWaalsContact CE3-CD1 3.45Å; W19-L26 HydrophobicContact CE3-CG 4.04Å; W19-L26 HydrophobicContact CH2-CG 4.31Å; W19-L26 HydrophobicContact CZ3-CD1 3.44Å; W19-L26 VanDerWaalsContact CZ3-CD1 3.44Å; W19-L26 HydrophobicContact CZ3-CD2 3.89Å; W19-L26 HydrophobicContact CZ3-CG 3.5Å
20E85.4Confident84Confident85 Ų85114.5 Ų114.540%0.39763%0.63SS.*SBendtrans-105.9142-178.7-56.9-170.3115.800112.6S15 R16 G17 K18 D22S15-E20 WeakPolarHBondContact CA-OE2 3.26Å; S15-E20 PolarHBondContact N-OE1 3.28Å; S15-E20 PolarHBondContact N-OE2 3.11Å; R16-E20 PolarHBondContact N-OE2 2.83Å; G17-E20 WeakPolarHBondContact CA-OE2 3.48Å; G17-E20 PolarHBondContact N-OE2 3.11Å; G17-E20 WeakPolarHBondContact O-CB 3.41Å; G17-E20 PolarHBondContact O-N 3.25Å; K18-E20 VanDerWaalsContact C-N 3.28Å; K18-E20 PolarHBondContact O-N 3.39Å; E20-D22 PolarHBondContact O-N 2.73Å
21G78.5Confident83.8Confident79 Ų79110.4 Ų110.481%0.81461%0.612SS**SBendtrans76.4-46.3171.600000115.5
22D75.4Confident83.9Confident88 Ų88110.9 Ų110.947%0.47162%0.615SS.*  trans-134.4123.5177178.932.8000112.1E20 S24 A25E20-D22 PolarHBondContact O-N 2.73Å; D22-S24 WeakPolarHBondContact OD1-CB 3.47Å; D22-S24 PolarHBondContact OD1-N 3.17Å; D22-S24 WeakPolarHBondContact OD2-CB 3.24Å; D22-A25 WeakPolarHBondContact OD2-CB 3.32Å; D22-A25 PolarHBondContact OD2-N 3.43Å
23L72.5Confident84.1Confident125 Ų125116.8 Ų116.865%0.65462%0.615SS**SBendtrans-93.2-0.9174-63.8176.3000112.7L26L23-L26 HydrophobicContact CB-CD1 4.29Å; L23-L26 HydrophobicContact CD2-CD1 3.89Å; L23-L26 WeakPolarHBondContact O-CD1 3.19Å
24S68.4Low84.1Confident109 Ų109112.2 Ų112.276%0.76260%0.599SS**SBendtrans-77.3-39.2173.2-163.80000111.6D22 L26D22-S24 WeakPolarHBondContact OD1-CB 3.47Å; D22-S24 PolarHBondContact OD1-N 3.17Å; D22-S24 WeakPolarHBondContact OD2-CB 3.24Å; S24-L26 PolarHBondContact O-N 2.79Å
25A74.8Confident84.3Confident83 Ų83114 Ų11469%0.68660%0.596SS**SBendtrans-78.740.9176.700000114.3D22 S27D22-A25 WeakPolarHBondContact OD2-CB 3.32Å; D22-A25 PolarHBondContact OD2-N 3.43Å; A25-S27 PolarHBondContact O-N 3.41Å
26L80.2Confident84.8Confident91 Ų91115.8 Ų115.848%0.47661%0.606SS.*  trans-70.9112.5-167.2-141.167.5000113.2W19 L23 S24W19-L26 HydrophobicContact CE3-CD1 3.45Å; W19-L26 VanDerWaalsContact CE3-CD1 3.45Å; W19-L26 HydrophobicContact CE3-CG 4.04Å; W19-L26 HydrophobicContact CH2-CG 4.31Å; W19-L26 HydrophobicContact CZ3-CD1 3.44Å; W19-L26 VanDerWaalsContact CZ3-CD1 3.44Å; W19-L26 HydrophobicContact CZ3-CD2 3.89Å; W19-L26 HydrophobicContact CZ3-CG 3.5Å; L23-L26 HydrophobicContact CB-CD1 4.29Å; L23-L26 HydrophobicContact CD2-CD1 3.89Å; L23-L26 WeakPolarHBondContact O-CD1 3.19Å; S24-L26 PolarHBondContact O-N 2.79Å
27S85.7Confident85.5Confident44 Ų44107.9 Ų107.931%0.30859%0.592SS.*  trans-71.5132.2179.5179.20000112.4A25 Q29A25-S27 PolarHBondContact O-N 3.41Å; S27-Q29 PolarHBondContact O-N 3.4Å; S27-Q29 PolarHBondContact OG-N 2.78Å; S27-Q29 PolarHBondContact OG-OE1 3.01Å
28K88.9Confident86.2Confident205 Ų205114.6 Ų114.689%0.89161%0.611SS**  trans-71.6-5.6175-63-175.9180-179.50114.2
29Q91Very high87.1Confident144 Ų144115.5 Ų115.567%0.67363%0.625SS**  trans-75.1130.4177.6-64.8166.5-23.600110K18 S27K18-Q29 WeakPolarHBondContact CE-O 3.4Å; K18-Q29 PolarHBondContact NZ-O 2.76Å; S27-Q29 PolarHBondContact O-N 3.4Å; S27-Q29 PolarHBondContact OG-N 2.78Å; S27-Q29 PolarHBondContact OG-OE1 3.01Å
30Y91.7Very high88.1Confident170 Ų170117.7 Ų117.767%0.66764%0.638SS**  trans-131.9149.8172.158.9-90.7000110D34 L35Y30-D34 WeakPolarHBondContact CA-OD2 3.31Å; Y30-L35 HydrophobicContact CD2-CD2 4.11Å; Y30-L35 HydrophobicContact CE2-CD2 3.85Å
31S92.6Very high88.6Confident49 Ų49121.5 Ų121.534%0.34366%0.66SS.*  trans-81.4159.7172.5-163.30000111R33 D34S31-R33 PolarHBondContact O-N 2.81Å; S31-R33 PolarHBondContact OG-N 3.24Å; S31-D34 WeakPolarHBondContact CB-OD1 3.18Å; S31-D34 VanDerWaalsContact N-CG 3.3Å; S31-D34 PolarHBondContact N-OD2 2.85Å; S31-D34 WeakPolarHBondContact O-CB 3.49Å; S31-D34 PolarHBondContact O-N 2.83Å
32V96.8Very high89.5Confident125 Ų125127.8 Ų127.876%0.75867%0.665SS**G310 helixtrans-57.5-27.9164-177.70000110.9D34 L35V32-D34 VanDerWaalsContact C-N 3.33Å; V32-L35 HydrophobicContact CG1-CD1 4.24Å
33R96.2Very high90.4Very high229 Ų229130.3 Ų130.386%0.86468%0.678SS**G310 helixtrans-75.5-16173.9-65-179.417490-2.7114.4S31 L35S31-R33 PolarHBondContact O-N 2.81Å; S31-R33 PolarHBondContact OG-N 3.24Å; R33-L35 VanDerWaalsContact C-N 3.34Å
34D93.6Very high91.5Very high86 Ų86132 Ų13246%0.4668%0.676SS.*G310 helixtrans-89.9-3.7179-54.2-8.5000111.2K18 Y30 S31 V32K18-D34 IonicContact NZ-OD2 3.7Å; Y30-D34 WeakPolarHBondContact CA-OD2 3.31Å; S31-D34 WeakPolarHBondContact CB-OD1 3.18Å; S31-D34 VanDerWaalsContact N-CG 3.3Å; S31-D34 PolarHBondContact N-OD2 2.85Å; S31-D34 WeakPolarHBondContact O-CB 3.49Å; S31-D34 PolarHBondContact O-N 2.83Å; V32-D34 VanDerWaalsContact C-N 3.33Å
35L94.8Very high92.7Very high87 Ų87132.4 Ų132.446%0.45567%0.666SS.*SBendtrans-68.7149.1177.1-67.5175000111.2Y30 V32 R33 A37Y30-L35 HydrophobicContact CD2-CD2 4.11Å; Y30-L35 HydrophobicContact CE2-CD2 3.85Å; V32-L35 HydrophobicContact CG1-CD1 4.24Å; R33-L35 VanDerWaalsContact C-N 3.34Å; L35-A37 PolarHBondContact O-N 2.77Å
36P96.7Very high93.7Very high120 Ų120135.4 Ų135.478%0.77967%0.665SS**  trans-60.597.4-175-26.436.2000114.6T39P36-T39 HydrophobicContact CB-CG2 3.9Å
37A96.4Very high94.2Very high72 Ų72134.5 Ų134.560%0.59568%0.678SS**  trans-117.7152.7173.300000110.7L35 T39L35-A37 PolarHBondContact O-N 2.77Å; A37-T39 PolarHBondContact O-N 2.83Å; A37-T39 VanDerWaalsContact O-N 3.09Å
38H96.7Very high94.6Very high182 Ų182137.7 Ų137.784%0.84369%0.688SS**  trans49.435.4178.2-58.2-73.3000115.4K40H38-K40 PolarHBondContact O-N 3.2Å
39T97.3Very high94.7Very high114 Ų114129.1 Ų129.170%0.69966%0.657SS**  trans-64.54.9-176.3570000115.8P36 A37P36-T39 HydrophobicContact CB-CG2 3.9Å; A37-T39 PolarHBondContact O-N 2.83Å; A37-T39 VanDerWaalsContact O-N 3.09Å
40K97.1Very high94.8Very high184 Ų184125.4 Ų125.480%0.864%0.637SS**SBendtrans-130.9113.2174.5-64.4-177.8-178.8-1800108.9H38H38-K40 PolarHBondContact O-N 3.2Å
41L96.3Very high94.8Very high166 Ų166121 Ų12187%0.86963%0.629SS**PPolyproline II helixtrans-68.2135.9173.2-63.6177.5000110.1
42K96Very high94.7Very high210 Ų210123.3 Ų123.391%0.91364%0.635SS**PPolyproline II helixtrans-82.5117.7174.3-66.4-178179.8179.90109.3
43L94.6Very high94.3Very high141 Ų141120.1 Ų120.174%0.73861%0.613SS**PPolyproline II helixtrans-83.6142169.2-62.2175.9000110Q45L43-Q45 PolarHBondContact O-N 2.83Å; L43-Q45 PolarHBondContact O-NE2 3.38Å
44R96.1Very high94.1Very high161 Ų161112.8 Ų112.861%0.60859%0.591SS**PPolyproline II helixtrans-61.4129.9172.2-65.8-177.6-179.5-99.2-0109.2Q48 G49 R50R44-Q48 HydrophobicContact CB-CB 4.31Å; R44-Q48 PolarHBondContact NH1-O 2.68Å; R44-G49 WeakPolarHBondContact CD-O 3.12Å; R44-R50 HydrophobicContact CB-CG 4.02Å; R44-R50 WeakPolarHBondContact O-CG 3.4Å
45Q94.3Very high93.9Very high118 Ų118116 Ų11655%0.55160%0.603SS**PPolyproline II helixtrans-80.8164.7171.3-53.8-55.2-72.600110.2L43 G47 Q48L43-Q45 PolarHBondContact O-N 2.83Å; L43-Q45 PolarHBondContact O-NE2 3.38Å; Q45-G47 PolarHBondContact O-N 2.85Å; Q45-Q48 HydrophobicContact CB-CG 4.16Å; Q45-Q48 VanDerWaalsContact O-CB 3.27Å; Q45-Q48 WeakPolarHBondContact O-CB 3.14Å; Q45-Q48 PolarHBondContact O-N 2.87Å
46E93.9Very high93.6Very high146 Ų146116.1 Ų116.168%0.68262%0.624SS**THydrogen-bonded Turntrans-56.8134.8174.1-68.5167.6-173.300110.2Q48 R50E46-Q48 VanDerWaalsContact C-N 3.28Å; E46-Q48 PolarHBondContact O-N 3.41Å; E46-R50 VanDerWaalsContact CG-NH1 3.3Å; E46-R50 IonicContact OE1-NH1 3.74Å; E46-R50 PolarHBondContact OE1-NH1 2.9Å
47G91.5Very high93.3Very high71 Ų71116.4 Ų116.473%0.73261%0.614SS**THydrogen-bonded Turntrans83.1-11.9-171.900000115.2Q45 G49 D53Q45-G47 PolarHBondContact O-N 2.85Å; G47-G49 PolarHBondContact O-N 3.13Å; G47-D53 WeakPolarHBondContact CA-OD2 3.47Å; G47-D53 PolarHBondContact N-OD2 3.39Å
48Q93.6Very high93.2Very high112 Ų112118 Ų11852%0.52361%0.612SS.*SBendtrans-87.717.7174.1-56.9-177.4-18.400113R44 Q45 E46R44-Q48 HydrophobicContact CB-CB 4.31Å; R44-Q48 PolarHBondContact NH1-O 2.68Å; Q45-Q48 HydrophobicContact CB-CG 4.16Å; Q45-Q48 VanDerWaalsContact O-CB 3.27Å; Q45-Q48 WeakPolarHBondContact O-CB 3.14Å; Q45-Q48 PolarHBondContact O-N 2.87Å; E46-Q48 VanDerWaalsContact C-N 3.28Å; E46-Q48 PolarHBondContact O-N 3.41Å
49G91.4Very high93.1Very high24 Ų24114.8 Ų114.825%0.24760%0.596CS.*  trans70.851.2-172.600000111.2R44 G47 D53 I54R44-G49 WeakPolarHBondContact CD-O 3.12Å; G47-G49 PolarHBondContact O-N 3.13Å; G49-D53 PolarHBondContact N-OD2 2.8Å; G49-I54 WeakPolarHBondContact O-CD1 3.41Å
50R93.1Very high92.9Very high66 Ų66116.1 Ų116.125%0.24959%0.592CS.*  trans-55.3151.5162.6-95.9-177.772.21784.9109.6R44 E46 E52 D53 I54R44-R50 HydrophobicContact CB-CG 4.02Å; R44-R50 WeakPolarHBondContact O-CG 3.4Å; E46-R50 VanDerWaalsContact CG-NH1 3.3Å; E46-R50 IonicContact OE1-NH1 3.74Å; E46-R50 PolarHBondContact OE1-NH1 2.9Å; R50-E52 WeakPolarHBondContact CB-OE2 3.41Å; R50-E52 IonicContact CZ-OE1 2.64Å; R50-E52 IonicContact CZ-OE2 2.66Å; R50-E52 IonicContact NE-OE1 3.61Å; R50-E52 IonicContact NE-OE2 2.83Å; R50-E52 PolarHBondContact NE-OE2 3.49Å; R50-E52 IonicContact NH2-OE1 2.65Å; R50-E52 PolarHBondContact NH2-OE1 3.47Å; R50-E52 IonicContact NH2-OE2 2.68Å; R50-E52 PolarHBondContact NH2-OE2 2.87Å; R50-E52 PolarHBondContact O-N 2.85Å; R50-D53 HydrophobicContact CB-CB 4.39Å; R50-D53 WeakPolarHBondContact CB-OD2 3.28Å; R50-D53 PolarHBondContact N-OD2 3.2Å; R50-D53 WeakPolarHBondContact O-CB 3.48Å; R50-D53 PolarHBondContact O-N 2.83Å; R50-I54 WeakPolarHBondContact O-CG1 3.08Å; R50-I54 PolarHBondContact O-N 2.92Å
51P91.1Very high92.8Very high77 Ų77115.4 Ų115.450%0.558%0.584SS.*Hα-helixtrans-58.1-29.9175.523.3-30.9000111.8I54 Q55P51-I54 PolarHBondContact O-N 2.91Å; P51-Q55 VanDerWaalsContact O-CG 3.29Å; P51-Q55 WeakPolarHBondContact O-CG 3.15Å; P51-Q55 PolarHBondContact O-N 2.79Å; P51-Q55 VanDerWaalsContact O-N 3.08Å
52E90.7Very high92.7Very high99 Ų99109.8 Ų109.846%0.46356%0.561SS.*Hα-helixtrans-70.2-36.5173.4-54.691.915200113R50 I54R50-E52 WeakPolarHBondContact CB-OE2 3.41Å; R50-E52 IonicContact CZ-OE1 2.64Å; R50-E52 IonicContact CZ-OE2 2.66Å; R50-E52 IonicContact NE-OE1 3.61Å; R50-E52 IonicContact NE-OE2 2.83Å; R50-E52 PolarHBondContact NE-OE2 3.49Å; R50-E52 IonicContact NH2-OE1 2.65Å; R50-E52 PolarHBondContact NH2-OE1 3.47Å; R50-E52 IonicContact NH2-OE2 2.68Å; R50-E52 PolarHBondContact NH2-OE2 2.87Å; R50-E52 PolarHBondContact O-N 2.85Å; E52-I54 PolarHBondContact O-N 2.84Å
53D89.9Confident92.7Very high58 Ų58104.3 Ų104.331%0.3154%0.542SS..Hα-helixtrans-65.8-20.6173.6-55.1-23.8000112.7G47 G49 R50G47-D53 WeakPolarHBondContact CA-OD2 3.47Å; G47-D53 PolarHBondContact N-OD2 3.39Å; G49-D53 PolarHBondContact N-OD2 2.8Å; R50-D53 HydrophobicContact CB-CB 4.39Å; R50-D53 WeakPolarHBondContact CB-OD2 3.28Å; R50-D53 PolarHBondContact N-OD2 3.2Å; R50-D53 WeakPolarHBondContact O-CB 3.48Å; R50-D53 PolarHBondContact O-N 2.83Å
54I91.5Very high92.8Very high75 Ų75102.3 Ų102.339%0.38553%0.528SS..Hα-helixtrans-95.6-34.5-172.5-74.1169.8000110.9G49 R50 P51 E52 G56 K57 F59G49-I54 WeakPolarHBondContact O-CD1 3.41Å; R50-I54 WeakPolarHBondContact O-CG1 3.08Å; R50-I54 PolarHBondContact O-N 2.92Å; P51-I54 PolarHBondContact O-N 2.91Å; E52-I54 PolarHBondContact O-N 2.84Å; I54-G56 PolarHBondContact O-N 3.46Å; I54-K57 PolarHBondContact O-N 2.84Å; I54-F59 HydrophobicContact CB-CZ 4.39Å; I54-F59 HydrophobicContact CG1-CZ 4.3Å; I54-F59 HydrophobicContact CG2-CE2 4.01Å; I54-F59 HydrophobicContact CG2-CZ 3.89Å
55Q89.2Confident92.7Very high154 Ų154100.5 Ų100.572%0.7253%0.527SS*.THydrogen-bonded Turntrans-67.8112.7178.7-76.3170.913.700111P51P51-Q55 VanDerWaalsContact O-CG 3.29Å; P51-Q55 WeakPolarHBondContact O-CG 3.15Å; P51-Q55 PolarHBondContact O-N 2.79Å; P51-Q55 VanDerWaalsContact O-N 3.08Å
56G88.3Confident92.8Very high88 Ų88101.7 Ų101.791%0.90753%0.53SS*.THydrogen-bonded Turntrans95.6-0.5-177.200000115I54I54-G56 PolarHBondContact O-N 3.46Å
57K90.3Very high92.9Very high127 Ų127100.3 Ų100.355%0.55252%0.524SS*.  trans-81.8120.7175.2-164.4164.6-170.1166.30111I54 F59I54-K57 PolarHBondContact O-N 2.84Å; K57-F59 HydrophobicContact CB-CE2 4.07Å; K57-F59 HydrophobicContact CB-CZ 4.13Å; K57-F59 HydrophobicContact CD-CZ 4.48Å; K57-F59 HydrophobicContact CG-CZ 4.48Å; K57-F59 WeakPolarHBondContact O-CD2 3.05Å; K57-F59 WeakPolarHBondContact O-CE2 3.42Å; K57-F59 PolarHBondContact O-N 3.41Å
58D93.8Very high93Very high104 Ų104103.6 Ų103.656%0.55652%0.518SS*.  trans-78.287.6178.9-173.30.3000111.3K60 A62D58-K60 VanDerWaalsContact C-N 3.26Å; D58-K60 PolarHBondContact O-N 3.41Å; D58-K60 PolarHBondContact OD1-N 3.11Å; D58-A62 PolarHBondContact O-N 2.76Å
59F94.7Very high93Very high116 Ų116105.7 Ų105.751%0.50952%0.521SS..Hα-helixtrans-61.2-30.6-177.1-71.7-78.7000113.8I54 K57 A62 L63I54-F59 HydrophobicContact CB-CZ 4.39Å; I54-F59 HydrophobicContact CG1-CZ 4.3Å; I54-F59 HydrophobicContact CG2-CE2 4.01Å; I54-F59 HydrophobicContact CG2-CZ 3.89Å; K57-F59 HydrophobicContact CB-CE2 4.07Å; K57-F59 HydrophobicContact CB-CZ 4.13Å; K57-F59 HydrophobicContact CD-CZ 4.48Å; K57-F59 HydrophobicContact CG-CZ 4.48Å; K57-F59 WeakPolarHBondContact O-CD2 3.05Å; K57-F59 WeakPolarHBondContact O-CE2 3.42Å; K57-F59 PolarHBondContact O-N 3.41Å; F59-A62 PolarHBondContact O-N 3.43Å; F59-L63 WeakPolarHBondContact O-CB 3.06Å; F59-L63 PolarHBondContact O-N 3Å
60K94.6Very high93Very high142 Ų142108.9 Ų108.962%0.61753%0.532SS*.Hα-helixtrans-64.9-53.8-178.5178175.3171.9177.20110.1D58 A62 L63 E64D58-K60 VanDerWaalsContact C-N 3.26Å; D58-K60 PolarHBondContact O-N 3.41Å; D58-K60 PolarHBondContact OD1-N 3.11Å; K60-A62 VanDerWaalsContact C-N 3.32Å; K60-A62 PolarHBondContact O-N 3.3Å; K60-L63 PolarHBondContact O-N 2.87Å; K60-E64 WeakPolarHBondContact CE-OE1 3.15Å; K60-E64 IonicContact NZ-OE1 2.64Å; K60-E64 WeakPolarHBondContact O-CG 3.5Å; K60-E64 PolarHBondContact O-N 2.97Å
61R95Very high93Very high169 Ų169108.6 Ų108.664%0.63854%0.544SS*.Hα-helixtrans-58.8-43.6176.8176-179.9163.9175.6-3.1112L63 E64 E65R61-L63 VanDerWaalsContact C-N 3.29Å; R61-L63 PolarHBondContact O-N 2.85Å; R61-E64 PolarHBondContact O-N 2.85Å; R61-E65 WeakPolarHBondContact O-CB 3.2Å; R61-E65 PolarHBondContact O-N 3.43Å
62A94Very high93Very high47 Ų47110.5 Ų110.539%0.38855%0.546SS..Hα-helixtrans-65.9-31.3-179.400000113.1D58 F59 K60 K66D58-A62 PolarHBondContact O-N 2.76Å; F59-A62 PolarHBondContact O-N 3.43Å; K60-A62 VanDerWaalsContact C-N 3.32Å; K60-A62 PolarHBondContact O-N 3.3Å; A62-K66 WeakPolarHBondContact O-CB 3.27Å; A62-K66 PolarHBondContact O-N 3.36Å
63L95.5Very high93Very high96 Ų96109.9 Ų109.950%0.50354%0.543SS..Hα-helixtrans-73.5-50174.2-178.9151.9000110.8F59 K60 R61 E65 K66 E67F59-L63 WeakPolarHBondContact O-CB 3.06Å; F59-L63 PolarHBondContact O-N 3Å; K60-L63 PolarHBondContact O-N 2.87Å; R61-L63 VanDerWaalsContact C-N 3.29Å; R61-L63 PolarHBondContact O-N 2.85Å; L63-E65 VanDerWaalsContact C-N 3.27Å; L63-E65 PolarHBondContact O-N 2.84Å; L63-K66 PolarHBondContact O-N 3.36Å; L63-E67 HydrophobicContact CD2-CG 4.08Å; L63-E67 WeakPolarHBondContact CD2-OE1 3.33Å; L63-E67 WeakPolarHBondContact CD2-OE2 3.45Å; L63-E67 WeakPolarHBondContact O-CG 3.33Å; L63-E67 PolarHBondContact O-N 3.31Å
64E96Very high93Very high98 Ų98114 Ų11446%0.45856%0.559SS.*Hα-helixtrans-57.3-38.9177.1-71.8173173.400112.2K60 R61 K68K60-E64 WeakPolarHBondContact CE-OE1 3.15Å; K60-E64 IonicContact NZ-OE1 2.64Å; K60-E64 WeakPolarHBondContact O-CG 3.5Å; K60-E64 PolarHBondContact O-N 2.97Å; R61-E64 PolarHBondContact O-N 2.85Å; E64-K68 WeakPolarHBondContact O-CB 3.41Å; E64-K68 PolarHBondContact O-N 3.47Å
65E94.9Very high92.8Very high123 Ų123115.1 Ų115.158%0.57557%0.573SS**Hα-helixtrans-66.6-40.6175.5-171171.6163.500112.1R61 L63 R69R61-E65 WeakPolarHBondContact O-CB 3.2Å; R61-E65 PolarHBondContact O-N 3.43Å; L63-E65 VanDerWaalsContact C-N 3.27Å; L63-E65 PolarHBondContact O-N 2.84Å; E65-R69 WeakPolarHBondContact O-CB 3.38Å; E65-R69 PolarHBondContact O-N 2.68Å
66K96.2Very high92.1Very high143 Ų143110.6 Ų110.662%0.62257%0.568SS**Hα-helixtrans-69.3-43.1176.5-171-174.9177-168.10112A62 L63 R69 L70A62-K66 WeakPolarHBondContact O-CB 3.27Å; A62-K66 PolarHBondContact O-N 3.36Å; L63-K66 PolarHBondContact O-N 3.36Å; K66-R69 PolarHBondContact O-N 2.65Å; K66-L70 HydrophobicContact CG-CD1 4.24Å; K66-L70 WeakPolarHBondContact O-CG 3.47Å; K66-L70 PolarHBondContact O-N 3.2Å
67E94.6Very high91Very high117 Ų117115.9 Ų115.955%0.54756%0.56SS.*Hα-helixtrans-62.7-45.6176-73.6-176.2159.600111.3L63 R69 L70 A71L63-E67 HydrophobicContact CD2-CG 4.08Å; L63-E67 WeakPolarHBondContact CD2-OE1 3.33Å; L63-E67 WeakPolarHBondContact CD2-OE2 3.45Å; L63-E67 WeakPolarHBondContact O-CG 3.33Å; L63-E67 PolarHBondContact O-N 3.31Å; E67-R69 VanDerWaalsContact C-N 3.29Å; E67-R69 PolarHBondContact O-N 2.88Å; E67-L70 PolarHBondContact O-N 2.96Å; E67-A71 WeakPolarHBondContact O-CB 3.47Å; E67-A71 PolarHBondContact O-N 2.93Å
68K94.5Very high89.3Confident141 Ų141114.4 Ų114.461%0.61356%0.563SS**Hα-helixtrans-58.9-40.5174.9-177.3177.9179.3-178.60112E64 Q72E64-K68 WeakPolarHBondContact O-CB 3.41Å; E64-K68 PolarHBondContact O-N 3.47Å; K68-Q72 WeakPolarHBondContact O-CG 3.47Å; K68-Q72 PolarHBondContact O-N 3.17Å
69R92.7Very high87.3Confident156 Ų156114.7 Ų114.759%0.58957%0.573SS**Hα-helixtrans-65.6-46.5174.9179.3177.1167.5168.8-0.4111.9E65 K66 E67 A71 Q72 E73E65-R69 WeakPolarHBondContact O-CB 3.38Å; E65-R69 PolarHBondContact O-N 2.68Å; K66-R69 PolarHBondContact O-N 2.65Å; E67-R69 VanDerWaalsContact C-N 3.29Å; E67-R69 PolarHBondContact O-N 2.88Å; R69-A71 VanDerWaalsContact C-N 3.31Å; R69-A71 PolarHBondContact O-N 2.81Å; R69-Q72 WeakPolarHBondContact O-CB 3.4Å; R69-Q72 PolarHBondContact O-N 3Å; R69-Q72 VanDerWaalsContact O-N 3.15Å; R69-E73 HydrophobicContact CG-CG 4.47Å; R69-E73 IonicContact CZ-OE1 2.72Å; R69-E73 IonicContact NE-OE1 3.43Å; R69-E73 PolarHBondContact NE-OE1 3.4Å; R69-E73 IonicContact NE-OE2 3.32Å; R69-E73 IonicContact NH2-OE1 3.51Å; R69-E73 PolarHBondContact NH2-OE1 2.78Å; R69-E73 WeakPolarHBondContact O-CG 3.32Å; R69-E73 PolarHBondContact O-N 3.48Å
70L92.9Very high85.2Confident91 Ų91116.1 Ų116.148%0.47659%0.585SS.*Hα-helixtrans-63.3-36.6177.5-73.9170.5000112.1K66 E67 E73 K74K66-L70 HydrophobicContact CG-CD1 4.24Å; K66-L70 WeakPolarHBondContact O-CG 3.47Å; K66-L70 PolarHBondContact O-N 3.2Å; E67-L70 PolarHBondContact O-N 2.96Å; L70-E73 PolarHBondContact O-N 2.95Å; L70-K74 WeakPolarHBondContact O-CB 3.47Å; L70-K74 PolarHBondContact O-N 3.47Å
71A92.7Very high83Confident60 Ų60115 Ų11550%0.49659%0.586SS.*Hα-helixtrans-65.2-41.2172.400000111.8E67 R69 S75E67-A71 WeakPolarHBondContact O-CB 3.47Å; E67-A71 PolarHBondContact O-N 2.93Å; R69-A71 VanDerWaalsContact C-N 3.31Å; R69-A71 PolarHBondContact O-N 2.81Å; A71-S75 WeakPolarHBondContact O-CB 3.44Å; A71-S75 PolarHBondContact O-N 2.94Å; A71-S75 PolarHBondContact O-OG 3.3Å
72Q90.8Very high80.6Confident117 Ų117111.5 Ų111.555%0.54759%0.592SS.*Hα-helixtrans-62.2-45.8172.4-76.3178-14.200111.5K68 R69 S75 G76K68-Q72 WeakPolarHBondContact O-CG 3.47Å; K68-Q72 PolarHBondContact O-N 3.17Å; R69-Q72 WeakPolarHBondContact O-CB 3.4Å; R69-Q72 PolarHBondContact O-N 3Å; R69-Q72 VanDerWaalsContact O-N 3.15Å; Q72-S75 WeakPolarHBondContact CA-OG 3.24Å; Q72-S75 PolarHBondContact O-N 3.07Å; Q72-S75 PolarHBondContact O-OG 3.35Å; Q72-G76 PolarHBondContact O-N 2.84Å
73E91.5Very high78.1Confident86 Ų86115.1 Ų115.140%0.40261%0.61SS.*Hα-helixtrans-64.4-42.3177.4-71.7172.2170.700112.3R69 L70 S75 G76 R77R69-E73 HydrophobicContact CG-CG 4.47Å; R69-E73 IonicContact CZ-OE1 2.72Å; R69-E73 IonicContact NE-OE1 3.43Å; R69-E73 PolarHBondContact NE-OE1 3.4Å; R69-E73 IonicContact NE-OE2 3.32Å; R69-E73 IonicContact NH2-OE1 3.51Å; R69-E73 PolarHBondContact NH2-OE1 2.78Å; R69-E73 WeakPolarHBondContact O-CG 3.32Å; R69-E73 PolarHBondContact O-N 3.48Å; L70-E73 PolarHBondContact O-N 2.95Å; E73-S75 VanDerWaalsContact C-N 3.31Å; E73-S75 PolarHBondContact O-N 3.27Å; E73-G76 PolarHBondContact O-N 3.11Å; E73-R77 VanDerWaalsContact O-CB 3.23Å; E73-R77 WeakPolarHBondContact O-CB 3.25Å; E73-R77 PolarHBondContact O-N 2.89Å
74K90.2Very high75.6Confident145 Ų145115.7 Ų115.763%0.6362%0.622SS**Hα-helixtrans-66.9-27.6173.5-172.2164.9-178.8168.20112.6L70 Q142L70-K74 WeakPolarHBondContact O-CB 3.47Å; L70-K74 PolarHBondContact O-N 3.47Å; K74-Q142 PolarHBondContact NZ-O 2.64Å
75S85.4Confident73.4Confident98 Ų98119.4 Ų119.469%0.68564%0.64SS**Hα-helixtrans-82.7-33.1174.274.50000114.2A71 Q72 E73A71-S75 WeakPolarHBondContact O-CB 3.44Å; A71-S75 PolarHBondContact O-N 2.94Å; A71-S75 PolarHBondContact O-OG 3.3Å; Q72-S75 WeakPolarHBondContact CA-OG 3.24Å; Q72-S75 PolarHBondContact O-N 3.07Å; Q72-S75 PolarHBondContact O-OG 3.35Å; E73-S75 VanDerWaalsContact C-N 3.31Å; E73-S75 PolarHBondContact O-N 3.27Å
76G75.6Confident71.2Confident59 Ų59121.4 Ų121.461%0.60865%0.649SS**Hα-helixtrans-92.4-16.5-173.500000114.2Q72 E73 P78Q72-G76 PolarHBondContact O-N 2.84Å; E73-G76 PolarHBondContact O-N 3.11Å; G76-P78 WeakPolarHBondContact O-CD 3.09Å
77R65.9Low68.6Low199 Ų199120.2 Ų120.275%0.75166%0.656SS**SBendtrans-86.898.1169.8-168.9179-169-162.72.4108.6E73E73-R77 VanDerWaalsContact O-CB 3.23Å; E73-R77 WeakPolarHBondContact O-CB 3.25Å; E73-R77 PolarHBondContact O-N 2.89Å
78P54.1Low66.2Low96 Ų96118.7 Ų118.762%0.62366%0.663SS**  trans-58.4149.817028-36000109.1G76 I80G76-P78 WeakPolarHBondContact O-CD 3.09Å; P78-I80 WeakPolarHBondContact O-CG1 3.49Å; P78-I80 PolarHBondContact O-N 2.85Å
79S50.7Low64Low109 Ų109120 Ų12076%0.76268%0.675SS**  trans-68.593.6-179.6-171.80000110.8N81S79-N81 PolarHBondContact O-N 2.89Å
80I51.4Low61.9Low147 Ų147118.2 Ų118.275%0.75468%0.681SS**  trans-74.863.9178.2-45.3-177.3000109.3P78P78-I80 WeakPolarHBondContact O-CG1 3.49Å; P78-I80 PolarHBondContact O-N 2.85Å
81N48.6Very low59.4Low119 Ų119120.1 Ų120.164%0.63670%0.703SS**  trans-154.527.8-177.4-124.9-47.3000114S79 K266S79-N81 PolarHBondContact O-N 2.89Å; N81-K266 PolarHBondContact OD1-NZ 2.88Å
82A45Very low57.4Low94 Ų94121.6 Ų121.678%0.77772%0.715SS**SBendtrans-118.7-7.3-178.100000115.2
83T40.6Very low55.4Low124 Ų124125.8 Ų125.876%0.76173%0.731SS**  trans-136.476.3-178.1-49.90000111.5
84S44.2Very low52.9Low107 Ų107133.1 Ų133.175%0.74876%0.755SS**  trans-10364.9157.6-165.90000109.3Q86S84-Q86 VanDerWaalsContact C-N 3.27Å; S84-Q86 PolarHBondContact O-N 3.05Å
85Q49.7Very low50.8Low177 Ų177132.4 Ų132.483%0.82777%0.765SS**  trans-82.782.5159.8-69.8-173.226.600107
86Q47.9Very low48.7Very low164 Ų164133.2 Ų133.277%0.76677%0.771SS**PPolyproline II helixtrans-60.6137.4168.4-71.6-166.9-11.600109S84 A88S84-Q86 VanDerWaalsContact C-N 3.27Å; S84-Q86 PolarHBondContact O-N 3.05Å; Q86-A88 PolarHBondContact O-N 2.77Å
87P41.8Very low47.4Very low118 Ų118136.2 Ų136.277%0.76678%0.783SS**PPolyproline II helixtrans-63.2125.7178.626.4-33.5000109.4I89P87-I89 PolarHBondContact O-N 3.43Å; P87-I89 VanDerWaalsContact O-N 3.11Å
88A43.8Very low46.4Very low85 Ų85131 Ų13170%0.70278%0.782SS**PPolyproline II helixtrans-62.1116.1-178.500000110.5Q86 T90Q86-A88 PolarHBondContact O-N 2.77Å; A88-T90 PolarHBondContact O-N 3.08Å
89I48.3Very low46.1Very low168 Ų168131.2 Ų131.286%0.86279%0.792SS**  trans-72.473.5177.248.4165.4000111.3P87 S91P87-I89 PolarHBondContact O-N 3.43Å; P87-I89 VanDerWaalsContact O-N 3.11Å; I89-S91 PolarHBondContact O-N 3.47Å; I89-S91 VanDerWaalsContact O-N 3.11Å
90T48.8Very low45.9Very low119 Ų119132.1 Ų132.173%0.7379%0.792SS**  trans-67.3107.6177.654.20000110.7A88 A92A88-T90 PolarHBondContact O-N 3.08Å; T90-A92 PolarHBondContact O-N 2.99Å
91S40.3Very low45.6Very low132 Ų132129.9 Ų129.992%0.92380%0.796SS**  trans-71.889.8-177.340.30000112.6I89I89-S91 PolarHBondContact O-N 3.47Å; I89-S91 VanDerWaalsContact O-N 3.11Å
92A51.1Low45.7Very low91 Ų91129.1 Ų129.175%0.75280%0.798SS**  trans-118.2119.3179.900000113.1T90T90-A92 PolarHBondContact O-N 2.99Å
93K48.9Very low45.5Very low204 Ų204130 Ų13089%0.88779%0.794SS**  trans-27.8137.2177.8-77167170.3171.20118.2
94R39Very low46Very low241 Ų241131.3 Ų131.391%0.90979%0.794SS**  trans-59.1148.6158-52.1169.486.2-177.99.3110.9
95P45.1Very low45.9Very low129 Ų129133 Ų13384%0.83880%0.795SS**  -116.7176.2126.835.3-32.6000111.5
96S41.9Very low45.6Very low115 Ų115129 Ų12980%0.80479%0.786SS**  trans-123.9126.4-163.654.90000114.9
97S48.7Very low45.4Very low122 Ų122126.3 Ų126.385%0.85379%0.786SS**  trans-164.7158.3151.648.20000108.5
98A44.2Very low45.4Very low89 Ų89125.8 Ų125.874%0.73678%0.781SS**  cis167133.9-34.400000105.1
99A47.5Very low45.5Very low101 Ų101130 Ų13084%0.83579%0.79SS**  trans67.5151.1177.300000115
100V48.1Very low45.3Very low128 Ų128125.3 Ų125.378%0.77678%0.782SS**  cis-138.3149.6-3.9177.70000108.8
101A43.8Very low44.9Very low100 Ų100125.5 Ų125.583%0.82679%0.789SS**  trans-145.8127.5155.700000110.5
102P50.7Low45.6Very low104 Ų104127.1 Ų127.168%0.67579%0.786SS**  -146.6176.6129.140.9-27.8000112.2
103T42.1Very low45.2Very low113 Ų113132.2 Ų132.269%0.69379%0.791SS**  cis-170163.4-32.236.70000106.8
104I50.3Low45.2Very low151 Ų151133.4 Ų133.477%0.77479%0.789SS**  trans59.4149.4165.761.1170.1000116.5
105D41.7Very low45.8Very low142 Ų142128.4 Ų128.476%0.75979%0.786SS**  cis-146.8-173.119.8-102.5-36000108.3
106S43.4Very low45.7Very low92 Ų92132.9 Ų132.964%0.64379%0.786SS**  cis170.4152.2-36.4179.70000108.4
107S43.5Very low46.2Very low109 Ų109132 Ų13276%0.76278%0.777SS**  trans67.6163.5179.790.70000115.2
108T42.6Very low46.4Very low107 Ų107134.6 Ų134.666%0.65678%0.776SS**  cis-156.5143.222.7-99.70000111.5
109I46.5Very low46.4Very low173 Ų173135.8 Ų135.889%0.88778%0.775SS**  trans62.8141.1166.1-71.2161.6000117.7
110G42.4Very low46.4Very low69 Ų69137.6 Ų137.671%0.71178%0.775SS**  cis171.8140.5-8.200000112.4
111S40.8Very low46.3Very low124 Ų124138.1 Ų138.187%0.86778%0.779SS**  trans-100144.1-166.3-48.10000115
112I55.4Low46.1Very low166 Ų166139.4 Ų139.485%0.85178%0.777SS**  trans-125.7131.9169.5-60.4-179.4000110.2
113K42.6Very low46.3Very low197 Ų197140.7 Ų140.786%0.85778%0.782SS**  trans-106139.5-176.8-62.5175.3178.9175.60112.5
114R49.6Very low46.4Very low229 Ų229140.5 Ų140.586%0.86479%0.786SS**  trans-154.6100.9155.4-86.6-173-73.1-161.1-0.8108.2
115T51Low46.5Very low137 Ų137139 Ų13984%0.8478%0.784SS**  85.4117.781.552.80000115.7
116R42.3Very low47.1Very low223 Ų223137.3 Ų137.384%0.84278%0.779SS**  trans-82.1-173172-112.5-176.564.2-174.1-1.3111.2
117P54Low47.6Very low95 Ų95140.1 Ų140.162%0.61779%0.787SS**  cis-120.3-169.34.831-5.9000112.1
118E51.5Low48.1Very low177 Ų177142.2 Ų142.283%0.82779%0.788SS**  cis-152.8176.145.2-77.2-16714900116.2
119T44.7Very low48.6Very low115 Ų115145.1 Ų145.171%0.70680%0.8SS**  trans-62141.9-162.951.10000120.2
120T47.4Very low48.8Very low138 Ų138141.9 Ų141.985%0.84780%0.799SS**  -153.7142.7118.419.10000112.7
121T46.6Very low49.1Very low139 Ų139146.1 Ų146.185%0.85381%0.806SS**  trans10.8129.2163.6-41.30000121.4
122T39.5Very low49.8Very low127 Ų127146 Ų14678%0.77980%0.795SS**  trans-91.1137.2178.250.40000114.8
123V53.7Low50.1Low131 Ų131143.3 Ų143.379%0.79479%0.788SS**  trans-139.9129.2150.5-87.70000108.6T125V123-T125 PolarHBondContact O-N 3.29Å
124S45.9Very low50.6Low110 Ų110144.1 Ų144.177%0.76979%0.786SS**  trans-85.991.6-167.4-58.20000113T126S124-T126 VanDerWaalsContact C-N 3.31Å; S124-T126 PolarHBondContact O-N 3.07Å
125T52.5Low50.8Low119 Ų119140 Ų14073%0.7378%0.781SS**  trans-82.168.3175.3560000111.6V123V123-T125 PolarHBondContact O-N 3.29Å
126T53.2Low50.6Low106 Ų106141.8 Ų141.865%0.6578%0.78SS**SBendtrans-1358-174.8670000115.5S124S124-T126 VanDerWaalsContact C-N 3.31Å; S124-T126 PolarHBondContact O-N 3.07Å
127N54Low51Low151 Ų151138.3 Ų138.381%0.80778%0.778SS**SBendtrans-152.459.8177.2-72-64.7000110.7
128L54.7Low50.6Low153 Ų153144.5 Ų144.580%0.80179%0.791SS**SBendtrans-137125.6175.6-70.6173.3000109.4
129D51.9Low50.9Low169 Ų169144.1 Ų144.190%0.90480%0.795SS**  trans28.188.8174.3-69-9.4000117.4
130A50.1Low51.2Low105 Ų105146.9 Ų146.987%0.86880%0.8SS**  trans-103.856.3164.100000110.5
131D49.8Very low51.4Low158 Ų158146.1 Ų146.185%0.84579%0.79SS**  trans-15862.7-179.7-125.2-10.8000113.6
132D55.5Low51.7Low122 Ų122145.7 Ų145.765%0.65278%0.779SS**  trans-159.4104.3149.6-168.327.9000110.8W134D132-W134 PolarHBondContact O-N 3.14Å; D132-W134 VanDerWaalsContact OD2-CD1 3.28Å; D132-W134 PolarHBondContact OD2-NE1 2.82Å; D132-W134 VanDerWaalsContact OD2-NE1 3.15Å
133P60.6Low51.7Low108 Ų108144.5 Ų144.570%0.70177%0.768SS**  trans-76102.5173.430.5-31.4000109.9D135P133-D135 PolarHBondContact O-N 2.66Å
134W53.1Low51.4Low214 Ų214145 Ų14581%0.81177%0.766SS**  trans-66.2104169.7-78.930000109.6D132 E136D132-W134 PolarHBondContact O-N 3.14Å; D132-W134 VanDerWaalsContact OD2-CD1 3.28Å; D132-W134 PolarHBondContact OD2-NE1 2.82Å; D132-W134 VanDerWaalsContact OD2-NE1 3.15Å; W134-E136 PolarHBondContact O-N 2.86Å
135D55.1Low51.3Low142 Ų142145.8 Ų145.876%0.75977%0.765SS**  trans-61.9101.1167-83.8-30.7000108.9P133 D137P133-D135 PolarHBondContact O-N 2.66Å; D135-D137 PolarHBondContact O-N 3Å
136E47.2Very low50.6Low175 Ų175147.3 Ų147.382%0.81877%0.768SS**  trans-74.350.2176.1-67.3-169.9124.100112.3W134 Y138W134-E136 PolarHBondContact O-N 2.86Å; E136-Y138 PolarHBondContact O-N 2.8Å
137D51Low50.1Low151 Ų151149.7 Ų149.781%0.80778%0.775SS**  trans-75.849.7175.1-92.612.6000111.7D135D135-D137 PolarHBondContact O-N 3Å
138Y45.1Very low49.1Very low224 Ų224148.2 Ų148.288%0.87877%0.771SS**  trans-99.9100.8169.4-83.5-90.5000110E136E136-Y138 PolarHBondContact O-N 2.8Å
139D57.9Low48.5Very low170 Ų170150.7 Ų150.791%0.90978%0.775SS**  trans-133.1131.5167.5-135.4-14.5000109.1
140E51.3Low47.7Very low173 Ų173152.3 Ų152.381%0.80877%0.774SS**  trans-95.8167.4-169.8-104.9173.4141.400112.7
141D51.3Low47.1Very low122 Ų122153 Ų15365%0.65277%0.773SS**  trans68110.8156.5-67.1-11.9000120
142Q52.3Low46.3Very low130 Ų130153 Ų15361%0.60777%0.773SS**  90.493.982.2-78.1177.965.600115.9K74K74-Q142 PolarHBondContact NZ-O 2.64Å
143D40.1Very low45.4Very low102 Ų102156 Ų15655%0.54578%0.783SS.*  83.5141.8128.1-51.6-25000123.4
144D47.2Very low44.3Very low142 Ų142158.8 Ų158.876%0.75979%0.792SS**  trans98.399.3154.3-65.2-36.2000124
145V42.7Very low43.7Very low125 Ų125157.8 Ų157.876%0.75879%0.793SS**  31.5122.3129.4-170.70000120.1
146I38.4Very low43.1Very low152 Ų152155.7 Ų155.778%0.77979%0.79SS**  trans-128.1130.8164.2-63.2178.1000111.3T148I146-T148 HydrophobicContact CG2-CG2 4.41Å
147I41.9Very low43.1Very low155 Ų155157.2 Ų157.280%0.79579%0.794SS**  trans-91134.7171.4-65171.8000109.4
148T34.8Very low42.4Very low120 Ų120157.7 Ų157.774%0.73680%0.796SS**  trans-116.5137.2176.857.90000112.6I146I146-T148 HydrophobicContact CG2-CG2 4.41Å
149K41.9Very low42.2Very low205 Ų205152 Ų15289%0.89179%0.789SS**  trans-130.3138.8160.6-78.4-173.7175.9178.90108.6
150K34.9Very low41.3Very low203 Ų203149.6 Ų149.688%0.88378%0.781SS**  trans-128.8145.5171.6-71.9-177177.5178.30108.9
151S37.4Very low40.9Very low119 Ų119148.9 Ų148.983%0.83278%0.778SS**  trans-144.2105.5167.754.10000108.9
152N33.5Very low40.4Very low160 Ų160149.1 Ų149.186%0.85678%0.779SS**  trans-88.5143.2167-73.77.7000108.7
153H35.1Very low40Very low183 Ų183151.7 Ų151.785%0.84778%0.783SS**  trans-130.9133.7163.3-153.675000108.9
154N37.9Very low40.3Very low168 Ų168155.4 Ų155.490%0.89880%0.795SS**  trans-160.5121.7179.5-130.3-4.1000108.4
155K41.4Very low40.1Very low192 Ų192156.6 Ų156.684%0.83580%0.801SS**  trans-154123.4171.3-164.7173.7-177.4-177.90110.4
156S41.8Very low40.5Very low99 Ų99158.6 Ų158.669%0.69281%0.807SS**  trans-98.9166.1172.655.40000111.4
157K46.7Very low41.2Very low206 Ų206157.1 Ų157.190%0.89680%0.801SS**  178.5157.8126.1-96166.4-177.4-164.70111.6
158N36.5Very low41.8Very low162 Ų162157.3 Ų157.387%0.86680%0.798SS**  trans-153.3145.3176.3-171.639.4000110
159S41.8Very low42.8Very low103 Ų103158.4 Ų158.472%0.7280%0.8SS**  trans168.5148.7-177.850.80000108.6
160T39Very low42.9Very low121 Ų121156.1 Ų156.174%0.74280%0.798SS**  cis-162.7179.7-2.6-1160000108.8
161E41.8Very low43.6Very low158 Ų158150.1 Ų150.174%0.73879%0.793SS**  trans-62.8-180-177.3-52.694.5141.900115.2
162D41.2Very low44Very low127 Ų127152.2 Ų152.268%0.67980%0.795SS**  172.9168.669.3-17729.2000113.6
163R44.8Very low44.9Very low183 Ų183152.3 Ų152.369%0.69180%0.796SS**  trans78.8147.3163.1-42.6-177.8-177.1180-5119.8
164F46.9Very low45.6Very low181 Ų181151 Ų15179%0.79480%0.795SS**  cis-158.816737.9-86.8-81.1000113.3
165D41.5Very low46.4Very low166 Ų166152.5 Ų152.589%0.88880%0.796SS**  trans-112.4162.8170.6-71.7-76.6000112.2
166D50.9Low46.6Very low167 Ų167151.4 Ų151.489%0.89380%0.799SS**  trans-141174.2179-139.7-39.7000110.8
167D53.3Low47.1Very low121 Ų121150.7 Ų150.765%0.64780%0.8SS**  trans-133.1166.9-147-169.124.9000117.3
168Q55.7Low47.4Very low159 Ų159148.2 Ų148.274%0.74380%0.797SS**  trans78.1153.1162-40.2-171.60.700117.8
169N55Low48.2Very low143 Ų143146.7 Ų146.777%0.76579%0.788SS**  cis-156.7146.825.417581.9000113.6
170D45.1Very low48.6Very low158 Ų158148 Ų14885%0.84579%0.787SS**  trans-97.7166.4172-84.8-46.6000113.4
171G49.5Very low49.1Very low76 Ų76148.5 Ų148.578%0.78479%0.785SS**  trans179.395.5170.900000115.2
172D45.6Very low49.8Very low163 Ų163147.4 Ų147.487%0.87279%0.789SS**  trans-81.5152.7164-61-52.2000111
173D52Low50.3Low163 Ų163148.2 Ų148.287%0.87279%0.793SS**  trans-161.1138.8138.1-133.7-10.1000110.3
174D48.9Very low50.6Low156 Ų156146.4 Ų146.483%0.83480%0.798SS**  trans-122.3126.4178.7-82.3-48.7000109.3
175E54.4Low50.9Low198 Ų198143.2 Ų143.293%0.92579%0.789SS**  trans-139.3129.9160.7-74.2-160147.500112
176D45.9Very low51.3Low169 Ų169142.6 Ų142.690%0.90479%0.786SS**  trans-83.9156.4174-74.1-62.2000112.4
177A53.1Low51.3Low85 Ų85142 Ų14270%0.70278%0.777SS**  156.9133.3122.400000114.7
178D52Low51.3Low154 Ų154145.3 Ų145.382%0.82479%0.789SS**  trans36.9131.9140.9-51.4-22.9000121.9
179N53.4Low51.2Low129 Ų129143.7 Ų143.769%0.6979%0.785SS**  179.5148.287.2-15763.7000113.7
180D50.5Low51.2Low130 Ų130142.3 Ų142.370%0.69577%0.774SS**  trans26121.8159.8-57.1-15.2000120.9
181D50Low51.7Low132 Ų132142.6 Ų142.671%0.70677%0.771SS**  83.3103.359.3-176.639.7000115.1
182V55.4Low52Low136 Ų136146 Ų14682%0.82477%0.768SS**  -173.9152116-87.60000112.3
183D52.3Low52.4Low143 Ų143143.2 Ų143.277%0.76575%0.752SS**  trans-85.3172.4-174-74.7-44.8000116.5
184D51.9Low52.9Low146 Ų146139.1 Ų139.178%0.78173%0.73SS**  trans64.4145.2147.4-76.16.4000121.2
185D52.1Low53.5Low113 Ų113134.6 Ų134.660%0.60472%0.715SS**  cis-165.5140.3-23.6-161.46000108
186D49.7Very low53.9Low154 Ų154129.8 Ų129.882%0.82469%0.692SS**  trans-159.879.8176.7-100.2-41.7000109.5E188D186-E188 PolarHBondContact O-N 3.42Å
187E52.4Low54.6Low154 Ų154124.9 Ų124.972%0.7267%0.665SS**THydrogen-bonded Turntrans-56.2-9.5-165.1-60.1176.4109.200117.2
188E52.8Low55.2Low191 Ų191123.5 Ų123.589%0.89365%0.654SS**THydrogen-bonded Turntrans-89.7-20.9-167.9-143170.6-146.600114.7D186 E190D186-E188 PolarHBondContact O-N 3.42Å; E188-E190 VanDerWaalsContact C-N 3.35Å
189D53.6Low55.9Low125 Ų125121.5 Ų121.567%0.66864%0.638SS**SBendtrans-81.5-15.5167.8-92.8-30.4000112.1E191 M192 L193D189-E191 PolarHBondContact O-N 3.15Å; D189-M192 PolarHBondContact O-N 2.95Å; D189-L193 PolarHBondContact O-N 3.41Å
190E54.4Low56.4Low113 Ų113119.1 Ų119.153%0.52862%0.624SS.*Hα-helixtrans-65.5-36.1-172.4-150.6-155.918000112.7E188 M192 L193 L194E188-E190 VanDerWaalsContact C-N 3.35Å; E190-M192 VanDerWaalsContact C-N 3.3Å; E190-M192 PolarHBondContact O-N 3Å; E190-L193 CarbonylContact O-C 3.57Å; E190-L193 PolarHBondContact O-N 2.8Å; E190-L194 HydrophobicContact CG-CD1 4.2Å; E190-L194 HydrophobicContact CG-CG 4.26Å; E190-L194 VanDerWaalsContact O-CB 3.27Å; E190-L194 WeakPolarHBondContact O-CB 3.33Å; E190-L194 VanDerWaalsContact O-CG 3.26Å; E190-L194 WeakPolarHBondContact O-CG 3.46Å; E190-L194 PolarHBondContact O-N 2.77Å
191E55.8Low57.6Low165 Ų165119.3 Ų119.377%0.77162%0.619SS**Hα-helixtrans-62.6-35.5177.7-77.2-153.2138.200112.7D189 A195D189-E191 PolarHBondContact O-N 3.15Å; E191-A195 PolarHBondContact O-N 3.26Å; E191-A195 VanDerWaalsContact O-N 3.11Å
192M56.8Low58.7Low146 Ų146119.7 Ų119.772%0.71961%0.611SS**Hα-helixtrans-73.7-39.6177.8-158.1176.9-49.400110.9D189 E190 A195 E196D189-M192 PolarHBondContact O-N 2.95Å; E190-M192 VanDerWaalsContact C-N 3.3Å; E190-M192 PolarHBondContact O-N 3Å; M192-A195 PolarHBondContact O-N 3.15Å; M192-E196 PolarHBondContact O-N 2.79Å; M192-E196 VanDerWaalsContact O-N 3.11Å
193L52.5Low59.7Low105 Ų105118.5 Ų118.555%0.5560%0.596SS.*Hα-helixtrans-68.7-32.9175.1-126.6169.7000112.1D189 E190 E196 L197D189-L193 PolarHBondContact O-N 3.41Å; E190-L193 CarbonylContact O-C 3.57Å; E190-L193 PolarHBondContact O-N 2.8Å; L193-E196 PolarHBondContact O-N 3.43Å; L193-L197 HydrophobicContact CD2-CD1 4.22Å; L193-L197 HydrophobicContact CD2-CG 4.27Å; L193-L197 VanDerWaalsContact O-CB 3.24Å; L193-L197 WeakPolarHBondContact O-CB 3.47Å; L193-L197 WeakPolarHBondContact O-CG 3.24Å; L193-L197 PolarHBondContact O-N 2.96Å
194L62.1Low60.7Low78 Ų78120.6 Ų120.641%0.40859%0.593SS.*Hα-helixtrans-68.3-33.7172.3-78.6170.3000112E190 A198E190-L194 HydrophobicContact CG-CD1 4.2Å; E190-L194 HydrophobicContact CG-CG 4.26Å; E190-L194 VanDerWaalsContact O-CB 3.27Å; E190-L194 WeakPolarHBondContact O-CB 3.33Å; E190-L194 VanDerWaalsContact O-CG 3.26Å; E190-L194 WeakPolarHBondContact O-CG 3.46Å; E190-L194 PolarHBondContact O-N 2.77Å; L194-A198 WeakPolarHBondContact O-CB 3.09Å; L194-A198 PolarHBondContact O-N 3.12Å
195A62.6Low61.8Low61 Ų61116.5 Ų116.550%0.50458%0.579SS.*Hα-helixtrans-68.3-42.1172.200000112.1E191 M192 A198 K199E191-A195 PolarHBondContact O-N 3.26Å; E191-A195 VanDerWaalsContact O-N 3.11Å; M192-A195 PolarHBondContact O-N 3.15Å; A195-A198 PolarHBondContact O-N 3.22Å; A195-K199 WeakPolarHBondContact O-CB 3.24Å; A195-K199 PolarHBondContact O-N 2.93Å
196E62.6Low62.9Low97 Ų97116.3 Ų116.345%0.45358%0.575SS.*Hα-helixtrans-68.3-41.4173.6-168.6104.6-111.400111.3M192 L193 A198 K199 I200M192-E196 PolarHBondContact O-N 2.79Å; M192-E196 VanDerWaalsContact O-N 3.11Å; L193-E196 PolarHBondContact O-N 3.43Å; E196-A198 VanDerWaalsContact C-N 3.33Å; E196-A198 PolarHBondContact O-N 3.01Å; E196-K199 CarbonylContact O-C 3.59Å; E196-K199 WeakPolarHBondContact O-CB 3.31Å; E196-K199 PolarHBondContact O-N 3.25Å; E196-K199 VanDerWaalsContact O-N 3.17Å; E196-K199 IonicContact OE1-NZ 2.83Å; E196-K199 PolarHBondContact OE1-NZ 3.29Å; E196-I200 HydrophobicContact CG-CD1 3.85Å; E196-I200 HydrophobicContact CG-CG1 4.47Å; E196-I200 WeakPolarHBondContact O-CB 3.47Å; E196-I200 WeakPolarHBondContact O-CG1 3.47Å; E196-I200 PolarHBondContact O-N 3.24Å
197L59.6Low63.9Low65 Ų65115.3 Ų115.334%0.3457%0.565SS.*Hα-helixtrans-63.1-36.1172.2-85.1167.1000112.2L193 K201L193-L197 HydrophobicContact CD2-CD1 4.22Å; L193-L197 HydrophobicContact CD2-CG 4.27Å; L193-L197 VanDerWaalsContact O-CB 3.24Å; L193-L197 WeakPolarHBondContact O-CB 3.47Å; L193-L197 WeakPolarHBondContact O-CG 3.24Å; L193-L197 PolarHBondContact O-N 2.96Å; L197-K201 WeakPolarHBondContact O-CB 3.26Å; L197-K201 WeakPolarHBondContact O-CD 3.3Å; L197-K201 WeakPolarHBondContact O-CG 3.42Å; L197-K201 PolarHBondContact O-N 2.9Å
198A66.4Low65.1Low57 Ų57110.8 Ų110.847%0.47155%0.554SS.*Hα-helixtrans-66.3-39.9173.800000110.9L194 A195 E196 R202L194-A198 WeakPolarHBondContact O-CB 3.09Å; L194-A198 PolarHBondContact O-N 3.12Å; A195-A198 PolarHBondContact O-N 3.22Å; E196-A198 VanDerWaalsContact C-N 3.33Å; E196-A198 PolarHBondContact O-N 3.01Å; A198-R202 WeakPolarHBondContact O-CB 3.49Å; A198-R202 PolarHBondContact O-N 3.06Å
199K66.9Low66.3Low112 Ų112104.6 Ų104.649%0.48754%0.536SS..Hα-helixtrans-64.7-48.3173.9178-177.9152.8-143.60111.8A195 E196 R202 E203A195-K199 WeakPolarHBondContact O-CB 3.24Å; A195-K199 PolarHBondContact O-N 2.93Å; E196-K199 CarbonylContact O-C 3.59Å; E196-K199 WeakPolarHBondContact O-CB 3.31Å; E196-K199 PolarHBondContact O-N 3.25Å; E196-K199 VanDerWaalsContact O-N 3.17Å; E196-K199 IonicContact OE1-NZ 2.83Å; E196-K199 PolarHBondContact OE1-NZ 3.29Å; K199-R202 WeakPolarHBondContact O-CB 3.36Å; K199-R202 PolarHBondContact O-N 3.26Å; K199-E203 VanDerWaalsContact O-CB 3.31Å; K199-E203 WeakPolarHBondContact O-CB 3.24Å; K199-E203 PolarHBondContact O-N 3.2Å
200I64.9Low67.4Low78 Ų78106.7 Ų106.740%0.453%0.534SS..Hα-helixtrans-65.8-40177.3-67.3165.8000111.4E196 E203 R204E196-I200 HydrophobicContact CG-CD1 3.85Å; E196-I200 HydrophobicContact CG-CG1 4.47Å; E196-I200 WeakPolarHBondContact O-CB 3.47Å; E196-I200 WeakPolarHBondContact O-CG1 3.47Å; E196-I200 PolarHBondContact O-N 3.24Å; I200-E203 PolarHBondContact O-N 3.1Å; I200-R204 WeakPolarHBondContact O-CB 3.28Å; I200-R204 PolarHBondContact O-N 3.36Å
201K75.6Confident68.5Low134 Ų134107 Ų10758%0.58354%0.539SS*.Hα-helixtrans-67-37173.4-74.3168.2-178.81700111.5L197 A205L197-K201 WeakPolarHBondContact O-CB 3.26Å; L197-K201 WeakPolarHBondContact O-CD 3.3Å; L197-K201 WeakPolarHBondContact O-CG 3.42Å; L197-K201 PolarHBondContact O-N 2.9Å; K201-A205 WeakPolarHBondContact O-CB 3.47Å; K201-A205 PolarHBondContact O-N 2.74Å
202R72Confident69.6Low141 Ų141101.9 Ų101.953%0.53253%0.525SS..Hα-helixtrans-67-40.9173.6-165.9-15874.771.415.1111.5A198 K199 A205 E206A198-R202 WeakPolarHBondContact O-CB 3.49Å; A198-R202 PolarHBondContact O-N 3.06Å; K199-R202 WeakPolarHBondContact O-CB 3.36Å; K199-R202 PolarHBondContact O-N 3.26Å; R202-A205 PolarHBondContact O-N 3.29Å; R202-E206 IonicContact CZ-OE2 3.17Å; R202-E206 IonicContact NH1-OE1 3.98Å; R202-E206 IonicContact NH1-OE2 2.68Å; R202-E206 PolarHBondContact NH1-OE2 2.74Å; R202-E206 IonicContact NH2-OE2 2.81Å; R202-E206 PolarHBondContact NH2-OE2 2.76Å; R202-E206 VanDerWaalsContact O-CB 3.28Å; R202-E206 WeakPolarHBondContact O-CB 3.44Å; R202-E206 PolarHBondContact O-N 3.15Å
203E76.1Confident70.7Confident111 Ų11197.8 Ų97.852%0.51951%0.514SS..Hα-helixtrans-69.2-48.2178.7-171.4158.1-151.700111.6K199 I200 A205 E206 E207K199-E203 VanDerWaalsContact O-CB 3.31Å; K199-E203 WeakPolarHBondContact O-CB 3.24Å; K199-E203 PolarHBondContact O-N 3.2Å; I200-E203 PolarHBondContact O-N 3.1Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.38Å; E203-E206 PolarHBondContact O-N 2.74Å; E203-E207 WeakPolarHBondContact O-CB 3.08Å; E203-E207 PolarHBondContact O-N 2.76Å
204R75Confident72.1Confident187 Ų18797.8 Ų97.871%0.70651%0.511SS*.Hα-helixtrans-61.3-34.2169.3-88.5-172.8166.3178.3-2.9113I200 A208I200-R204 WeakPolarHBondContact O-CB 3.28Å; I200-R204 PolarHBondContact O-N 3.36Å; R204-A208 WeakPolarHBondContact O-CB 3.39Å; R204-A208 PolarHBondContact O-N 3.22Å
205A74.7Confident73.1Confident59 Ų59102.1 Ų102.149%0.48852%0.522SS..Hα-helixtrans-71.2-36.1175.100000112.2K201 R202 E203 A209K201-A205 WeakPolarHBondContact O-CB 3.47Å; K201-A205 PolarHBondContact O-N 2.74Å; R202-A205 PolarHBondContact O-N 3.29Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.38Å; A205-A209 WeakPolarHBondContact O-CB 3.21Å; A205-A209 PolarHBondContact O-N 3.22Å
206E74.2Confident74Confident109 Ų109104.9 Ų104.951%0.50952%0.523SS..Hα-helixtrans-70.3-42.2175.3-174.8162.6-150.500111.3R202 E203 R210R202-E206 IonicContact CZ-OE2 3.17Å; R202-E206 IonicContact NH1-OE1 3.98Å; R202-E206 IonicContact NH1-OE2 2.68Å; R202-E206 PolarHBondContact NH1-OE2 2.74Å; R202-E206 IonicContact NH2-OE2 2.81Å; R202-E206 PolarHBondContact NH2-OE2 2.76Å; R202-E206 VanDerWaalsContact O-CB 3.28Å; R202-E206 WeakPolarHBondContact O-CB 3.44Å; R202-E206 PolarHBondContact O-N 3.15Å; E203-E206 PolarHBondContact O-N 2.74Å; E206-R210 WeakPolarHBondContact O-CB 2.77Å; E206-R210 PolarHBondContact O-N 2.96Å
207E70Confident75.1Confident134 Ų134102.7 Ų102.763%0.62652%0.522SS*.Hα-helixtrans-67.7-45.8173.9-174.3173-128.600112.3E203 A209 R210 L211E203-E207 WeakPolarHBondContact O-CB 3.08Å; E203-E207 PolarHBondContact O-N 2.76Å; E207-A209 VanDerWaalsContact C-N 3.35Å; E207-A209 PolarHBondContact O-N 3.32Å; E207-R210 WeakPolarHBondContact O-CB 3.22Å; E207-R210 PolarHBondContact O-N 3.43Å; E207-L211 WeakPolarHBondContact O-CB 3.48Å; E207-L211 PolarHBondContact O-N 3.4Å
208A78.9Confident76.1Confident58 Ų58101.7 Ų101.748%0.47952%0.523SS..Hα-helixtrans-65.9-35.9175.600000112.1R204 L211 A212R204-A208 WeakPolarHBondContact O-CB 3.39Å; R204-A208 PolarHBondContact O-N 3.22Å; A208-L211 PolarHBondContact O-N 3.47Å; A208-A212 WeakPolarHBondContact O-CB 3.32Å; A208-A212 PolarHBondContact O-N 2.95Å
209A78.7Confident76.9Confident62 Ų62103.7 Ų103.751%0.51252%0.522SS..Hα-helixtrans-66.2-39.3172.300000111.6A205 E207 A213A205-A209 WeakPolarHBondContact O-CB 3.21Å; A205-A209 PolarHBondContact O-N 3.22Å; E207-A209 VanDerWaalsContact C-N 3.35Å; E207-A209 PolarHBondContact O-N 3.32Å; A209-A213 VanDerWaalsContact O-CB 3.27Å; A209-A213 WeakPolarHBondContact O-CB 3.39Å; A209-A213 PolarHBondContact O-N 3.29Å
210R75.8Confident77.5Confident168 Ų168102.4 Ų102.463%0.63452%0.518SS*.Hα-helixtrans-63.3-50.6172.7-175.2-165.1149.4-173.2-9.4111E206 E207 A212 A213 E214E206-R210 WeakPolarHBondContact O-CB 2.77Å; E206-R210 PolarHBondContact O-N 2.96Å; E207-R210 WeakPolarHBondContact O-CB 3.22Å; E207-R210 PolarHBondContact O-N 3.43Å; R210-A212 VanDerWaalsContact C-N 3.32Å; R210-A212 PolarHBondContact O-N 2.83Å; R210-A213 CarbonylContact O-C 3.59Å; R210-A213 WeakPolarHBondContact O-CB 3.47Å; R210-A213 PolarHBondContact O-N 2.95Å; R210-A213 VanDerWaalsContact O-N 3.11Å; R210-E214 IonicContact CZ-OE2 3.6Å; R210-E214 IonicContact NE-OE2 3.13Å; R210-E214 PolarHBondContact NE-OE2 3.05Å; R210-E214 VanDerWaalsContact NE-OE2 3.13Å; R210-E214 IonicContact NH2-OE1 3.25Å; R210-E214 IonicContact NH2-OE2 3.01Å; R210-E214 PolarHBondContact NH2-OE2 3.22Å; R210-E214 WeakPolarHBondContact O-CB 3.41Å; R210-E214 PolarHBondContact O-N 3.3Å
211L76.5Confident78.3Confident119 Ų119102.5 Ų102.562%0.62352%0.522SS*.Hα-helixtrans-62.7-38.7-179.5-174.365.3000111.5E207 A208 E214 R215E207-L211 WeakPolarHBondContact O-CB 3.48Å; E207-L211 PolarHBondContact O-N 3.4Å; A208-L211 PolarHBondContact O-N 3.47Å; L211-E214 PolarHBondContact O-N 3.05Å; L211-R215 WeakPolarHBondContact O-CB 3.19Å; L211-R215 PolarHBondContact O-N 2.9Å
212A80.3Confident78.5Confident58 Ų58100.7 Ų100.748%0.47952%0.518SS..Hα-helixtrans-67-37.3173.200000112.4A208 R210 K216A208-A212 WeakPolarHBondContact O-CB 3.32Å; A208-A212 PolarHBondContact O-N 2.95Å; R210-A212 VanDerWaalsContact C-N 3.32Å; R210-A212 PolarHBondContact O-N 2.83Å; A212-K216 WeakPolarHBondContact O-CB 3.23Å; A212-K216 PolarHBondContact O-N 3.41Å
213A80Confident78.9Confident60 Ų60102.1 Ų102.150%0.49652%0.523SS..Hα-helixtrans-69.1-40174.100000112.3A209 R210 K216 A217A209-A213 VanDerWaalsContact O-CB 3.27Å; A209-A213 WeakPolarHBondContact O-CB 3.39Å; A209-A213 PolarHBondContact O-N 3.29Å; R210-A213 CarbonylContact O-C 3.59Å; R210-A213 WeakPolarHBondContact O-CB 3.47Å; R210-A213 PolarHBondContact O-N 2.95Å; R210-A213 VanDerWaalsContact O-N 3.11Å; A213-K216 PolarHBondContact O-N 3.28Å; A213-A217 WeakPolarHBondContact O-CB 3.26Å; A213-A217 PolarHBondContact O-N 3.36Å
214E81.9Confident79Confident105 Ų105102.6 Ų102.649%0.49153%0.527SS..Hα-helixtrans-67.8-45.6178.1-166.6160.3171.200110.6R210 L211 A217 A218R210-E214 IonicContact CZ-OE2 3.6Å; R210-E214 IonicContact NE-OE2 3.13Å; R210-E214 PolarHBondContact NE-OE2 3.05Å; R210-E214 VanDerWaalsContact NE-OE2 3.13Å; R210-E214 IonicContact NH2-OE1 3.25Å; R210-E214 IonicContact NH2-OE2 3.01Å; R210-E214 PolarHBondContact NH2-OE2 3.22Å; R210-E214 WeakPolarHBondContact O-CB 3.41Å; R210-E214 PolarHBondContact O-N 3.3Å; L211-E214 PolarHBondContact O-N 3.05Å; E214-A217 PolarHBondContact O-N 2.82Å; E214-A218 PolarHBondContact O-N 2.83Å
215R82.2Confident79.2Confident169 Ų16998.4 Ų98.464%0.63852%0.516SS*.Hα-helixtrans-60.2-45.9170178.9177.3170.4153.35.7112.2L211 A217 A218 E219L211-R215 WeakPolarHBondContact O-CB 3.19Å; L211-R215 PolarHBondContact O-N 2.9Å; R215-A217 VanDerWaalsContact C-N 3.31Å; R215-A217 PolarHBondContact O-N 3.38Å; R215-A218 PolarHBondContact O-N 2.98Å; R215-E219 HydrophobicContact CG-CG 4.49Å; R215-E219 IonicContact CZ-OE1 3.48Å; R215-E219 IonicContact NE-OE1 2.92Å; R215-E219 PolarHBondContact NE-OE1 3.43Å; R215-E219 IonicContact NH2-OE1 2.74Å; R215-E219 PolarHBondContact NH2-OE1 3.09Å; R215-E219 WeakPolarHBondContact O-CG 3.35Å; R215-E219 PolarHBondContact O-N 2.83Å
216K82.6Confident79.4Confident119 Ų119100.1 Ų100.152%0.51752%0.516SS..Hα-helixtrans-63.2-37.8177.5-173.5180179.5-98.80111.7A212 A213 E219 E220A212-K216 WeakPolarHBondContact O-CB 3.23Å; A212-K216 PolarHBondContact O-N 3.41Å; A213-K216 PolarHBondContact O-N 3.28Å; K216-E219 PolarHBondContact O-N 2.83Å; K216-E220 VanDerWaalsContact CE-OE1 3.25Å; K216-E220 WeakPolarHBondContact CE-OE1 3.49Å; K216-E220 IonicContact NZ-OE1 2.76Å; K216-E220 PolarHBondContact NZ-OE1 3Å; K216-E220 WeakPolarHBondContact O-CB 3.45Å; K216-E220 WeakPolarHBondContact O-CG 3.46Å; K216-E220 PolarHBondContact O-N 3.01Å
217A84.2Confident79.5Confident51 Ų51100.3 Ų100.342%0.42152%0.52SS..Hα-helixtrans-64.4-41.6174.300000111.5A213 E214 R215 E220 T221A213-A217 WeakPolarHBondContact O-CB 3.26Å; A213-A217 PolarHBondContact O-N 3.36Å; E214-A217 PolarHBondContact O-N 2.82Å; R215-A217 VanDerWaalsContact C-N 3.31Å; R215-A217 PolarHBondContact O-N 3.38Å; A217-E220 PolarHBondContact O-N 2.84Å; A217-T221 WeakPolarHBondContact O-CG2 3.5Å; A217-T221 PolarHBondContact O-N 3.26Å; A217-T221 PolarHBondContact O-OG1 3.05Å
218A81.1Confident79.5Confident44 Ų4499.5 Ų99.536%0.36452%0.519SS..Hα-helixtrans-65.4-41.4173.900000112.8E214 R215 E220 T221 I222E214-A218 PolarHBondContact O-N 2.83Å; R215-A218 PolarHBondContact O-N 2.98Å; A218-E220 VanDerWaalsContact C-N 3.31Å; A218-E220 PolarHBondContact O-N 3.19Å; A218-T221 WeakPolarHBondContact CA-OG1 3.41Å; A218-T221 PolarHBondContact O-N 3.26Å; A218-T221 PolarHBondContact O-OG1 3.16Å; A218-I222 WeakPolarHBondContact O-CB 3.42Å; A218-I222 WeakPolarHBondContact O-CD1 3.49Å; A218-I222 VanDerWaalsContact O-CG1 3.24Å; A218-I222 WeakPolarHBondContact O-CG1 3.32Å; A218-I222 PolarHBondContact O-N 3.14Å
219E82.6Confident79.1Confident99 Ų99102.1 Ų102.146%0.46352%0.52SS..Hα-helixtrans-65-35.2173.5-72.1178.3-171.800111.4R215 K216 R223R215-E219 HydrophobicContact CG-CG 4.49Å; R215-E219 IonicContact CZ-OE1 3.48Å; R215-E219 IonicContact NE-OE1 2.92Å; R215-E219 PolarHBondContact NE-OE1 3.43Å; R215-E219 IonicContact NH2-OE1 2.74Å; R215-E219 PolarHBondContact NH2-OE1 3.09Å; R215-E219 WeakPolarHBondContact O-CG 3.35Å; R215-E219 PolarHBondContact O-N 2.83Å; K216-E219 PolarHBondContact O-N 2.83Å; E219-R223 WeakPolarHBondContact O-CB 3.4Å; E219-R223 PolarHBondContact O-N 3.02Å
220E80Confident78.7Confident86 Ų86101.8 Ų101.840%0.40252%0.523SS..Hα-helixtrans-71.9-37173.4-77.1-177.7-174.800113.1K216 A217 A218 R223 M224K216-E220 VanDerWaalsContact CE-OE1 3.25Å; K216-E220 WeakPolarHBondContact CE-OE1 3.49Å; K216-E220 IonicContact NZ-OE1 2.76Å; K216-E220 PolarHBondContact NZ-OE1 3Å; K216-E220 WeakPolarHBondContact O-CB 3.45Å; K216-E220 WeakPolarHBondContact O-CG 3.46Å; K216-E220 PolarHBondContact O-N 3.01Å; A217-E220 PolarHBondContact O-N 2.84Å; A218-E220 VanDerWaalsContact C-N 3.31Å; A218-E220 PolarHBondContact O-N 3.19Å; E220-R223 PolarHBondContact O-N 3.2Å; E220-M224 WeakPolarHBondContact O-CB 3.45Å; E220-M224 VanDerWaalsContact O-CG 3.32Å; E220-M224 WeakPolarHBondContact O-CG 3.08Å; E220-M224 PolarHBondContact O-N 3.17Å
221T81.6Confident78.4Confident80 Ų8096.7 Ų96.749%0.49151%0.508SS..Hα-helixtrans-69.2-44.6173.955.70000112A217 A218 R223 M224 E225A217-T221 WeakPolarHBondContact O-CG2 3.5Å; A217-T221 PolarHBondContact O-N 3.26Å; A217-T221 PolarHBondContact O-OG1 3.05Å; A218-T221 WeakPolarHBondContact CA-OG1 3.41Å; A218-T221 PolarHBondContact O-N 3.26Å; A218-T221 PolarHBondContact O-OG1 3.16Å; T221-R223 VanDerWaalsContact C-N 3.29Å; T221-R223 PolarHBondContact O-N 3.3Å; T221-M224 HydrophobicContact CG2-CE 4.24Å; T221-M224 PolarHBondContact O-N 3.25Å; T221-M224 VanDerWaalsContact O-N 3.17Å; T221-E225 PolarHBondContact O-N 3.26Å
222I80.7Confident78.1Confident96 Ų9696.2 Ų96.249%0.49251%0.512SS..Hα-helixtrans-61.5-39.1174.6-67.3165.3000110.5A218 E225 N226A218-I222 WeakPolarHBondContact O-CB 3.42Å; A218-I222 WeakPolarHBondContact O-CD1 3.49Å; A218-I222 VanDerWaalsContact O-CG1 3.24Å; A218-I222 WeakPolarHBondContact O-CG1 3.32Å; A218-I222 PolarHBondContact O-N 3.14Å; I222-E225 PolarHBondContact O-N 3.36Å; I222-N226 WeakPolarHBondContact O-CB 3.23Å; I222-N226 PolarHBondContact O-N 2.95Å
223R80.3Confident77.4Confident170 Ų170100.5 Ų100.564%0.64253%0.526SS*.Hα-helixtrans-66-40.8174.3-175.5178.9-178.1-158.21.2112.2E219 E220 T221 I227E219-R223 WeakPolarHBondContact O-CB 3.4Å; E219-R223 PolarHBondContact O-N 3.02Å; E220-R223 PolarHBondContact O-N 3.2Å; T221-R223 VanDerWaalsContact C-N 3.29Å; T221-R223 PolarHBondContact O-N 3.3Å; R223-I227 HydrophobicContact CG-CD1 4.06Å; R223-I227 WeakPolarHBondContact O-CB 3.43Å; R223-I227 WeakPolarHBondContact O-CD1 3.44Å; R223-I227 VanDerWaalsContact O-CG1 3.24Å; R223-I227 WeakPolarHBondContact O-CG1 3.42Å; R223-I227 PolarHBondContact O-N 3.08Å
224M77.7Confident76.7Confident121 Ų121102.8 Ų102.860%0.59653%0.53SS*.Hα-helixtrans-65.8-43.2174.4-76.5-172.8-67.400111.9E220 T221 I227 L228E220-M224 WeakPolarHBondContact O-CB 3.45Å; E220-M224 VanDerWaalsContact O-CG 3.32Å; E220-M224 WeakPolarHBondContact O-CG 3.08Å; E220-M224 PolarHBondContact O-N 3.17Å; T221-M224 HydrophobicContact CG2-CE 4.24Å; T221-M224 PolarHBondContact O-N 3.25Å; T221-M224 VanDerWaalsContact O-N 3.17Å; M224-I227 PolarHBondContact O-N 2.84Å; M224-L228 WeakPolarHBondContact O-CB 3.22Å; M224-L228 PolarHBondContact O-N 2.64Å
225E79.4Confident75.6Confident99 Ų99101.4 Ų101.446%0.46353%0.526SS..Hα-helixtrans-60.5-48.3174.9-164.6-160.7141.300110.5T221 I222 I227 L228 K229T221-E225 PolarHBondContact O-N 3.26Å; I222-E225 PolarHBondContact O-N 3.36Å; E225-I227 VanDerWaalsContact C-N 3.28Å; E225-I227 PolarHBondContact O-N 2.85Å; E225-L228 WeakPolarHBondContact O-CB 3.27Å; E225-L228 PolarHBondContact O-N 2.82Å; E225-L228 VanDerWaalsContact O-N 3.07Å; E225-K229 WeakPolarHBondContact O-CB 3.45Å; E225-K229 PolarHBondContact O-N 3.01Å; E225-K229 WeakPolarHBondContact OE1-CD 3.38Å; E225-K229 IonicContact OE1-NZ 3.2Å; E225-K229 PolarHBondContact OE1-NZ 3.11Å
226N78.9Confident74.5Confident95 Ų9596.5 Ų96.551%0.50852%0.517SS..Hα-helixtrans-64.9-27.1178.5-79.5-23.9000113.5I222 G230I222-N226 WeakPolarHBondContact O-CB 3.23Å; I222-N226 PolarHBondContact O-N 2.95Å; N226-G230 VanDerWaalsContact O-CA 3.26Å; N226-G230 WeakPolarHBondContact O-CA 3.29Å; N226-G230 PolarHBondContact O-N 2.88Å
227I75.9Confident73.4Confident113 Ų11395.7 Ų95.758%0.57953%0.526SS*.Hα-helixtrans-74.3-38.8170.8-71.6165.8000111.1R223 M224 E225R223-I227 HydrophobicContact CG-CD1 4.06Å; R223-I227 WeakPolarHBondContact O-CB 3.43Å; R223-I227 WeakPolarHBondContact O-CD1 3.44Å; R223-I227 VanDerWaalsContact O-CG1 3.24Å; R223-I227 WeakPolarHBondContact O-CG1 3.42Å; R223-I227 PolarHBondContact O-N 3.08Å; M224-I227 PolarHBondContact O-N 2.84Å; E225-I227 VanDerWaalsContact C-N 3.28Å; E225-I227 PolarHBondContact O-N 2.85Å
228L70.4Confident72.1Confident117 Ų117100.2 Ų100.261%0.61354%0.543SS*.Hα-helixtrans-67.2-47.9177.5-15178.5000111.4M224 E225 N231M224-L228 WeakPolarHBondContact O-CB 3.22Å; M224-L228 PolarHBondContact O-N 2.64Å; E225-L228 WeakPolarHBondContact O-CB 3.27Å; E225-L228 PolarHBondContact O-N 2.82Å; E225-L228 VanDerWaalsContact O-N 3.07Å; L228-N231 WeakPolarHBondContact O-CB 3.27Å; L228-N231 PolarHBondContact O-N 3.01Å
229K71.1Confident70.9Confident113 Ų113102.7 Ų102.749%0.49156%0.558SS.*Hα-helixtrans-74.8-25.1179.6-162.6179-160.6165.80112.4E225 N231 N235E225-K229 WeakPolarHBondContact O-CB 3.45Å; E225-K229 PolarHBondContact O-N 3.01Å; E225-K229 WeakPolarHBondContact OE1-CD 3.38Å; E225-K229 IonicContact OE1-NZ 3.2Å; E225-K229 PolarHBondContact OE1-NZ 3.11Å; K229-N231 VanDerWaalsContact C-N 3.25Å; K229-N231 PolarHBondContact O-N 2.67Å; K229-N235 PolarHBondContact O-ND2 3.31Å
230G69.6Low69.6Low56 Ų56103.3 Ų103.358%0.57757%0.573SS**THydrogen-bonded Turntrans-76.9-5.3172.300000114.3N226 P232N226-G230 VanDerWaalsContact O-CA 3.26Å; N226-G230 WeakPolarHBondContact O-CA 3.29Å; N226-G230 PolarHBondContact O-N 2.88Å; G230-P232 VanDerWaalsContact O-CD 3.24Å; G230-P232 WeakPolarHBondContact O-CD 3.17Å
231N70.4Confident68.5Low60 Ų60103.6 Ų103.632%0.32158%0.575SS.*  trans-89.3105.8176.3-173.6-18.3000111L228 K229 L233 L234 N235L228-N231 WeakPolarHBondContact O-CB 3.27Å; L228-N231 PolarHBondContact O-N 3.01Å; K229-N231 VanDerWaalsContact C-N 3.25Å; K229-N231 PolarHBondContact O-N 2.67Å; N231-L233 PolarHBondContact O-N 2.87Å; N231-L233 VanDerWaalsContact O-N 3.14Å; N231-L233 VanDerWaalsContact OD1-CB 3.3Å; N231-L233 WeakPolarHBondContact OD1-CB 3.48Å; N231-L233 PolarHBondContact OD1-N 3.44Å; N231-L234 HydrophobicContact CB-CB 4.22Å; N231-L234 HydrophobicContact CB-CD1 4.24Å; N231-L234 HydrophobicContact CB-CG 4.35Å; N231-L234 WeakPolarHBondContact ND2-CD1 3.4Å; N231-L234 PolarHBondContact O-N 3.18Å; N231-L234 VanDerWaalsContact O-N 3.08Å; N231-N235 PolarHBondContact O-N 2.89Å; N231-N235 VanDerWaalsContact O-N 3.07Å
232P70.3Confident67.3Low110 Ų110109.6 Ų109.671%0.71459%0.594SS**THydrogen-bonded Turntrans-67.4-14.8-177.829.7-36.7000113.5G230G230-P232 VanDerWaalsContact O-CD 3.24Å; G230-P232 WeakPolarHBondContact O-CD 3.17Å
233L64.3Low66.5Low147 Ų147112 Ų11277%0.7760%0.601SS**THydrogen-bonded Turntrans-78-35.3173.2-118.969.4000111.9N231 S236N231-L233 PolarHBondContact O-N 2.87Å; N231-L233 VanDerWaalsContact O-N 3.14Å; N231-L233 VanDerWaalsContact OD1-CB 3.3Å; N231-L233 WeakPolarHBondContact OD1-CB 3.48Å; N231-L233 PolarHBondContact OD1-N 3.44Å; L233-S236 PolarHBondContact O-OG 3.37Å
234L64.9Low65.9Low109 Ų109109.3 Ų109.357%0.57160%0.604SS**THydrogen-bonded Turntrans-87.6-32.9-178-67.3176.6000113N231 S236N231-L234 HydrophobicContact CB-CB 4.22Å; N231-L234 HydrophobicContact CB-CD1 4.24Å; N231-L234 HydrophobicContact CB-CG 4.35Å; N231-L234 WeakPolarHBondContact ND2-CD1 3.4Å; N231-L234 PolarHBondContact O-N 3.18Å; N231-L234 VanDerWaalsContact O-N 3.08Å; L234-S236 PolarHBondContact O-N 3.01Å
235N58.7Low65.4Low76 Ų76111.3 Ų111.341%0.40661%0.609SS.*  trans-72.321.7175.4-94.414000114.7K229 N231 S237K229-N235 PolarHBondContact O-ND2 3.31Å; N231-N235 PolarHBondContact O-N 2.89Å; N231-N235 VanDerWaalsContact O-N 3.07Å; N235-S237 PolarHBondContact O-N 2.96Å; N235-S237 VanDerWaalsContact O-N 3.11Å
236S59Low65.2Low65 Ų65113.6 Ų113.646%0.45561%0.613SS.*THydrogen-bonded Turntrans-75.217.5170.6-62.70000113.5L233 L234 N238 S239L233-S236 PolarHBondContact O-OG 3.37Å; L234-S236 PolarHBondContact O-N 3.01Å; S236-N238 CarbonylContact O-C 3.32Å; S236-N238 VanDerWaalsContact O-C 3.32Å; S236-N238 PolarHBondContact O-N 3.11Å; S236-S239 VanDerWaalsContact O-CA 3.31Å; S236-S239 WeakPolarHBondContact O-CA 3.26Å; S236-S239 PolarHBondContact O-N 3.28Å; S236-S239 PolarHBondContact O-OG 2.85Å
237S59.8Low65.1Low102 Ų102116.5 Ų116.571%0.71362%0.617SS**THydrogen-bonded Turntrans-60.6-33.4169.250.40000111.5N235 S239N235-S237 PolarHBondContact O-N 2.96Å; N235-S237 VanDerWaalsContact O-N 3.11Å; S237-S239 PolarHBondContact O-N 3Å
238N57.9Low65.5Low146 Ų146121.1 Ų121.178%0.78163%0.627SS**SBendtrans-69.773.4152-82.7-31.3000109.5S236 S240S236-N238 CarbonylContact O-C 3.32Å; S236-N238 VanDerWaalsContact O-C 3.32Å; S236-N238 PolarHBondContact O-N 3.11Å; N238-S240 PolarHBondContact O-N 2.86Å
239S56Low66.2Low97 Ų97118.1 Ų118.168%0.67861%0.612SS**  trans-6979.2178.1-75.80000110.4S236 S237 E241S236-S239 VanDerWaalsContact O-CA 3.31Å; S236-S239 WeakPolarHBondContact O-CA 3.26Å; S236-S239 PolarHBondContact O-N 3.28Å; S236-S239 PolarHBondContact O-OG 2.85Å; S237-S239 PolarHBondContact O-N 3Å; S239-E241 WeakPolarHBondContact O-CA 3.19Å; S239-E241 PolarHBondContact O-N 3.23Å
240S54.8Low66.7Low111 Ų111117.2 Ų117.278%0.77661%0.613SS**  trans-55.3111.1172.652.50000108.5N238 F242N238-S240 PolarHBondContact O-N 2.86Å; S240-F242 PolarHBondContact O-N 3.37Å
241E56.6Low67.6Low92 Ų92120.7 Ų120.743%0.4362%0.618SS.*  trans-68.591.1-149.9-173.4-166.2-132.900112.8S239 K243 K245S239-E241 WeakPolarHBondContact O-CA 3.19Å; S239-E241 PolarHBondContact O-N 3.23Å; E241-K243 HydrophobicContact CG-CB 3.93Å; E241-K243 HydrophobicContact CG-CD 3.99Å; E241-K243 HydrophobicContact CG-CG 3.77Å; E241-K243 PolarHBondContact O-N 2.96Å; E241-K243 VanDerWaalsContact OE1-CD 3.28Å; E241-K243 WeakPolarHBondContact OE1-CD 3.24Å; E241-K243 VanDerWaalsContact OE1-CE 3.24Å; E241-K243 WeakPolarHBondContact OE1-CE 3.47Å; E241-K243 IonicContact OE1-NZ 3.9Å; E241-K243 PolarHBondContact OE1-NZ 2.89Å; E241-K245 IonicContact OE2-NZ 3.92Å; E241-K245 PolarHBondContact OE2-NZ 3.23Å
242F55.8Low68.5Low207 Ų207121.6 Ų121.691%0.90863%0.625SS**  trans-71.827.4174.1-149.6-92.8000113.1S240 V244S240-F242 PolarHBondContact O-N 3.37Å; F242-V244 PolarHBondContact O-N 3.31Å
243K65.6Low69.4Low146 Ų146122.4 Ų122.464%0.63563%0.628SS**SBendtrans-64.4131.4157.1-70.6-177.1-163.7146.70107.2E241 K245E241-K243 HydrophobicContact CG-CB 3.93Å; E241-K243 HydrophobicContact CG-CD 3.99Å; E241-K243 HydrophobicContact CG-CG 3.77Å; E241-K243 PolarHBondContact O-N 2.96Å; E241-K243 VanDerWaalsContact OE1-CD 3.28Å; E241-K243 WeakPolarHBondContact OE1-CD 3.24Å; E241-K243 VanDerWaalsContact OE1-CE 3.24Å; E241-K243 WeakPolarHBondContact OE1-CE 3.47Å; E241-K243 IonicContact OE1-NZ 3.9Å; E241-K243 PolarHBondContact OE1-NZ 2.89Å; K243-K245 VanDerWaalsContact C-N 3.26Å; K243-K245 PolarHBondContact O-N 2.83Å
244V65.7Low70.6Confident114 Ų114123 Ų12369%0.69162%0.624SS**  trans-59.591.2165.7174.80000108.1F242 R246F242-V244 PolarHBondContact O-N 3.31Å; V244-R246 WeakPolarHBondContact CG1-O 3.47Å; V244-R246 PolarHBondContact O-N 3.1Å; V244-R246 VanDerWaalsContact O-N 3.15Å
245K68.1Low71.7Confident163 Ų163122.8 Ų122.871%0.70962%0.619SS**SBendtrans-61.4-23.1-170.2-101.6-179.9171.1630113.9E241 K243E241-K245 IonicContact OE2-NZ 3.92Å; E241-K245 PolarHBondContact OE2-NZ 3.23Å; K243-K245 VanDerWaalsContact C-N 3.26Å; K243-K245 PolarHBondContact O-N 2.83Å
246R74.7Confident73.1Confident146 Ų146124.5 Ų124.555%0.55163%0.628SS**SBendtrans-128116.8172.4-169-177.971.783.6-7.7108.6V244 D250V244-R246 WeakPolarHBondContact CG1-O 3.47Å; V244-R246 PolarHBondContact O-N 3.1Å; V244-R246 VanDerWaalsContact O-N 3.15Å; R246-D250 HydrophobicContact CG-CB 3.72Å; R246-D250 WeakPolarHBondContact CG-OD2 3.5Å
247R76.6Confident74.5Confident157 Ų157126.7 Ų126.759%0.59264%0.643SS**  trans-67.1155.9175.9-66.2178.259.395.34.3110.2D249 D250R247-D249 HydrophobicContact CB-CB 4.44Å; R247-D249 IonicContact CZ-OD2 3.6Å; R247-D249 IonicContact NE-OD2 3.78Å; R247-D249 PolarHBondContact NE-OD2 2.78Å; R247-D249 IonicContact NH2-OD2 2.67Å; R247-D249 PolarHBondContact NH2-OD2 3.42Å; R247-D249 PolarHBondContact O-N 3.01Å; R247-D250 HydrophobicContact CB-CB 4.41Å; R247-D250 VanDerWaalsContact O-CB 3.23Å; R247-D250 WeakPolarHBondContact O-CB 3.37Å; R247-D250 PolarHBondContact O-N 2.83Å
248W85.1Confident75.8Confident210 Ų210124.9 Ų124.980%0.79563%0.634SS**THydrogen-bonded Turntrans-58.1-36.9173.869.9-84.1000111.7D250W248-D250 PolarHBondContact O-N 2.91Å
249D84.2Confident77.2Confident54 Ų54127.8 Ų127.829%0.28963%0.634SS.*THydrogen-bonded Turntrans-60.2-23.4174.6-58.4-70000115R247 D251 V252 K255R247-D249 HydrophobicContact CB-CB 4.44Å; R247-D249 IonicContact CZ-OD2 3.6Å; R247-D249 IonicContact NE-OD2 3.78Å; R247-D249 PolarHBondContact NE-OD2 2.78Å; R247-D249 IonicContact NH2-OD2 2.67Å; R247-D249 PolarHBondContact NH2-OD2 3.42Å; R247-D249 PolarHBondContact O-N 3.01Å; D249-D251 PolarHBondContact O-N 2.89Å; D249-V252 WeakPolarHBondContact O-CB 3.43Å; D249-V252 WeakPolarHBondContact O-CG2 3.39Å; D249-V252 PolarHBondContact O-N 3.43Å; D249-K255 PolarHBondContact O-NZ 2.72Å
250D83.5Confident78.6Confident94 Ų94126.5 Ų126.550%0.50364%0.636SS.*THydrogen-bonded Turntrans-69.4-34.8-151.8-150.223.8000112.8R246 R247 W248 V252 K255R246-D250 HydrophobicContact CG-CB 3.72Å; R246-D250 WeakPolarHBondContact CG-OD2 3.5Å; R247-D250 HydrophobicContact CB-CB 4.41Å; R247-D250 VanDerWaalsContact O-CB 3.23Å; R247-D250 WeakPolarHBondContact O-CB 3.37Å; R247-D250 PolarHBondContact O-N 2.83Å; W248-D250 PolarHBondContact O-N 2.91Å; D250-V252 VanDerWaalsContact C-N 3.31Å; D250-V252 PolarHBondContact O-N 3.39Å; D250-K255 VanDerWaalsContact C-NZ 3.32Å; D250-K255 PolarHBondContact O-NZ 2.98Å
251D87.6Confident80Confident129 Ų129127.6 Ų127.669%0.6963%0.628SS**THydrogen-bonded Turntrans-81.9-2.4-177.8-157.625.9000113.8D249 V253D249-D251 PolarHBondContact O-N 2.89Å; D251-V253 PolarHBondContact O-N 3Å
252V89.5Confident81.1Confident78 Ų78128.4 Ų128.447%0.47364%0.639SS.*  trans-73.2111179.1-176.20000110.3D249 D250 F254 K255D249-V252 WeakPolarHBondContact O-CB 3.43Å; D249-V252 WeakPolarHBondContact O-CG2 3.39Å; D249-V252 PolarHBondContact O-N 3.43Å; D250-V252 VanDerWaalsContact C-N 3.31Å; D250-V252 PolarHBondContact O-N 3.39Å; V252-F254 WeakPolarHBondContact CG1-O 3.47Å; V252-F254 PolarHBondContact O-N 2.87Å; V252-F254 VanDerWaalsContact O-N 3.1Å; V252-K255 WeakPolarHBondContact O-CD 3.07Å; V252-K255 VanDerWaalsContact O-CE 3.26Å; V252-K255 WeakPolarHBondContact O-CE 3.34Å; V252-K255 PolarHBondContact O-NZ 2.97Å
253V88.8Confident82.2Confident127 Ų127122.9 Ų122.977%0.7762%0.619SS**SBendtrans-60.9-19.9-174.4-62.40000115.7D251D251-V253 PolarHBondContact O-N 3Å
254F89.2Confident82.6Confident159 Ų159120 Ų12070%0.69761%0.608SS**SBendtrans-113.8123.3175.6-64.1-63.6000111V252V252-F254 WeakPolarHBondContact CG1-O 3.47Å; V252-F254 PolarHBondContact O-N 2.87Å; V252-F254 VanDerWaalsContact O-N 3.1Å
255K88.7Confident82.9Confident105 Ų105117.6 Ų117.646%0.45759%0.593SS.*  trans-113.4126.6178.4-53-57.9-165-151.80111.3D249 D250 V252 C257D249-K255 PolarHBondContact O-NZ 2.72Å; D250-K255 VanDerWaalsContact C-NZ 3.32Å; D250-K255 PolarHBondContact O-NZ 2.98Å; V252-K255 WeakPolarHBondContact O-CD 3.07Å; V252-K255 VanDerWaalsContact O-CE 3.26Å; V252-K255 WeakPolarHBondContact O-CE 3.34Å; V252-K255 PolarHBondContact O-NZ 2.97Å; K255-C257 VanDerWaalsContact C-N 3.35Å; K255-C257 PolarHBondContact O-N 3.35Å; K255-C257 VanDerWaalsContact O-N 3.15Å
256N87.1Confident82.9Confident112 Ų112116.1 Ų116.160%0.59959%0.587SS**  trans52.138.8161.6-58.1111.4000116.4A258 R259N256-A258 VanDerWaalsContact C-N 3.29Å; N256-A258 PolarHBondContact O-N 3.33Å; N256-A258 VanDerWaalsContact O-N 3.12Å; N256-R259 HydrophobicContact CB-CB 3.86Å; N256-R259 WeakPolarHBondContact O-CB 3.21Å; N256-R259 PolarHBondContact O-N 3.44Å
257C88.6Confident82.7Confident112 Ų112118.4 Ų118.476%0.75760%0.596SS**THydrogen-bonded Turntrans-54.2-36.7-169.7-52.70000115.1K255K255-C257 VanDerWaalsContact C-N 3.35Å; K255-C257 PolarHBondContact O-N 3.35Å; K255-C257 VanDerWaalsContact O-N 3.15Å
258A87Confident83Confident64 Ų64113.1 Ų113.153%0.52959%0.59SS.*THydrogen-bonded Turntrans-89.88.6178.400000114.3N256 G260 E261N256-A258 VanDerWaalsContact C-N 3.29Å; N256-A258 PolarHBondContact O-N 3.33Å; N256-A258 VanDerWaalsContact O-N 3.12Å; A258-G260 PolarHBondContact O-N 3Å; A258-E261 HydrophobicContact CB-CB 4.43Å; A258-E261 WeakPolarHBondContact O-CB 3.33Å; A258-E261 PolarHBondContact O-N 3Å
259R87.5Confident83.3Confident207 Ų207111.3 Ų111.378%0.78159%0.588SS**THydrogen-bonded Turntrans-74.697.9-172.7-177.2173.565.8139.9-3111.7N256N256-R259 HydrophobicContact CB-CB 3.86Å; N256-R259 WeakPolarHBondContact O-CB 3.21Å; N256-R259 PolarHBondContact O-N 3.44Å
260G85.4Confident83.6Confident70 Ų70111.5 Ų111.572%0.72259%0.591SS**THydrogen-bonded Turntrans107.65.2-174.500000113.3A258 V262A258-G260 PolarHBondContact O-N 3Å; G260-V262 PolarHBondContact O-N 3.36Å
261E84.3Confident84.1Confident133 Ų133114.4 Ų114.462%0.62161%0.606SS**PPolyproline II helixtrans-63.2118.9167.5-173.4169.1-173.400109.5A258A258-E261 HydrophobicContact CB-CB 4.43Å; A258-E261 WeakPolarHBondContact O-CB 3.33Å; A258-E261 PolarHBondContact O-N 3Å
262V79.7Confident84.4Confident109 Ų109110.1 Ų110.166%0.66158%0.583SS**PPolyproline II helixtrans-89.6119.8175.1178.90000107.7G260 H264G260-V262 PolarHBondContact O-N 3.36Å; V262-H264 PolarHBondContact O-N 2.93Å; V262-H264 VanDerWaalsContact O-N 3.09Å
263D78.5Confident84.6Confident91 Ų91112.2 Ų112.249%0.48760%0.596SS.*PPolyproline II helixtrans-49.1117.3176.5175.518.8000110.5V265D263-V265 VanDerWaalsContact OD1-CB 3.27Å; D263-V265 WeakPolarHBondContact OD1-CB 3.28Å; D263-V265 VanDerWaalsContact OD1-CG2 3.27Å; D263-V265 WeakPolarHBondContact OD1-CG2 3.29Å; D263-V265 PolarHBondContact OD1-N 3.04Å
264H73.8Confident84.9Confident86 Ų86111.6 Ų111.640%0.39859%0.588SS.*  trans-92.7-5.1-174.956.4-92.6000113.3V262 K266 R267V262-H264 PolarHBondContact O-N 2.93Å; V262-H264 VanDerWaalsContact O-N 3.09Å; H264-K266 PolarHBondContact O-N 3.19Å; H264-K266 VanDerWaalsContact O-N 3.14Å; H264-R267 HydrophobicContact CB-CG 4.18Å; H264-R267 VanDerWaalsContact CB-NE 3.3Å; H264-R267 WeakPolarHBondContact O-CB 3.44Å; H264-R267 WeakPolarHBondContact O-CG 3.21Å; H264-R267 PolarHBondContact O-N 3.15Å; H264-R267 VanDerWaalsContact O-N 3.16Å
265V72.1Confident85Confident63 Ų63112.1 Ų112.138%0.38259%0.586SS.*THydrogen-bonded Turntrans-60.2-23.2174.9176.80000111.7D263D263-V265 VanDerWaalsContact OD1-CB 3.27Å; D263-V265 WeakPolarHBondContact OD1-CB 3.28Å; D263-V265 VanDerWaalsContact OD1-CG2 3.27Å; D263-V265 WeakPolarHBondContact OD1-CG2 3.29Å; D263-V265 PolarHBondContact OD1-N 3.04Å
266K69.3Low85.1Confident133 Ų133108.2 Ų108.258%0.57857%0.571SS**THydrogen-bonded Turntrans-96.816.1179.4-54.4-170.5-176.8-170.80114.8N81 H264 G268N81-K266 PolarHBondContact OD1-NZ 2.88Å; H264-K266 PolarHBondContact O-N 3.19Å; H264-K266 VanDerWaalsContact O-N 3.14Å; K266-G268 PolarHBondContact O-N 2.86Å
267R70.9Confident85.3Confident194 Ų194105.1 Ų105.173%0.73255%0.554SS**SBendtrans-76.120.6-177.6-73.2-174.3-170.2-178.69.9116H264H264-R267 HydrophobicContact CB-CG 4.18Å; H264-R267 VanDerWaalsContact CB-NE 3.3Å; H264-R267 WeakPolarHBondContact O-CB 3.44Å; H264-R267 WeakPolarHBondContact O-CG 3.21Å; H264-R267 PolarHBondContact O-N 3.15Å; H264-R267 VanDerWaalsContact O-N 3.16Å
268G82.4Confident85.5Confident45 Ų45107.1 Ų107.146%0.46455%0.55SS..  trans95.7173.3174.600000114.9K266K266-G268 PolarHBondContact O-N 2.86Å
269F90Very high85.9Confident173 Ų173106.2 Ų106.276%0.75953%0.534SS*.  trans-74.3142.1177.3177.7-102.3000111.4N271F269-N271 HydrophobicContact CE1-CB 3.9Å
270V91.4Very high86.1Confident57 Ų57101 Ų10135%0.34552%0.518SS..  trans-121.8114.9176.6-173.30000108.8D272 R275V270-D272 HydrophobicContact CG1-CB 3.9Å; V270-D272 PolarHBondContact O-N 3.09Å; V270-R275 HydrophobicContact CG1-CB 4.46Å
271N93.4Very high86.5Confident155 Ų155103.3 Ų103.383%0.82951%0.508SS*.  trans-76.361.2177.5-168.611.9000111.8F269F269-N271 HydrophobicContact CE1-CB 3.9Å
272D94.5Very high87Confident39 Ų39101.1 Ų101.121%0.20950%0.496CS..  trans-152.9118.8-178.4-175.8-40.4000109.2V270 L274 R275 S276V270-D272 HydrophobicContact CG1-CB 3.9Å; V270-D272 PolarHBondContact O-N 3.09Å; D272-L274 PolarHBondContact O-N 2.85Å; D272-L274 WeakPolarHBondContact OD1-CA 3.27Å; D272-L274 PolarHBondContact OD1-N 2.73Å; D272-R275 HydrophobicContact CB-CB 3.96Å; D272-R275 PolarHBondContact OD1-N 2.83Å; D272-R275 WeakPolarHBondContact OD2-CD 3.38Å; D272-R275 VanDerWaalsContact OD2-CG 3.24Å; D272-R275 WeakPolarHBondContact OD2-CG 3.29Å; D272-R275 IonicContact OD2-CZ 2.76Å; D272-R275 IonicContact OD2-NE 2.78Å; D272-R275 IonicContact OD2-NH1 2.96Å; D272-R275 PolarHBondContact OD2-NH1 3.31Å; D272-S276 WeakPolarHBondContact O-CB 3.37Å; D272-S276 PolarHBondContact O-N 2.94Å
273T94.5Very high87.8Confident122 Ų12299.2 Ų99.275%0.74848%0.481SS*.THydrogen-bonded Turntrans-69.4-14-175.753.40000114.4H279T273-H279 VanDerWaalsContact O-CB 3.29Å; T273-H279 WeakPolarHBondContact O-CB 3.41Å; T273-H279 PolarHBondContact O-ND1 2.92Å
274L94.4Very high88.6Confident115 Ų115103.8 Ų103.860%0.60250%0.496SS*.THydrogen-bonded Turntrans-107.8-31178.1-57.5-178.5000112.5D272 H279D272-L274 PolarHBondContact O-N 2.85Å; D272-L274 WeakPolarHBondContact OD1-CA 3.27Å; D272-L274 PolarHBondContact OD1-N 2.73Å; L274-H279 PolarHBondContact O-CD2 2.93Å; L274-H279 VanDerWaalsContact O-CD2 3.31Å
275R91.2Very high89.7Confident169 Ų169107.1 Ų107.164%0.63851%0.51SS*.THydrogen-bonded Turntrans-95.2-13-178.3-59.5-176.4179.792.8-2.8114.6V270 D272 K280V270-R275 HydrophobicContact CG1-CB 4.46Å; D272-R275 HydrophobicContact CB-CB 3.96Å; D272-R275 PolarHBondContact OD1-N 2.83Å; D272-R275 WeakPolarHBondContact OD2-CD 3.38Å; D272-R275 VanDerWaalsContact OD2-CG 3.24Å; D272-R275 WeakPolarHBondContact OD2-CG 3.29Å; D272-R275 IonicContact OD2-CZ 2.76Å; D272-R275 IonicContact OD2-NE 2.78Å; D272-R275 IonicContact OD2-NH1 2.96Å; D272-R275 PolarHBondContact OD2-NH1 3.31Å; R275-K280 VanDerWaalsContact O-CE 3.26Å; R275-K280 WeakPolarHBondContact O-CE 3.33Å; R275-K280 PolarHBondContact O-NZ 3.43Å
276S92Very high90.9Very high23 Ų23111 Ų11116%0.16152%0.518CS..SBendtrans-56.4143.4173.2174.60000112.4D272 F278 H279 K280D272-S276 WeakPolarHBondContact O-CB 3.37Å; D272-S276 PolarHBondContact O-N 2.94Å; S276-F278 PolarHBondContact O-N 3.06Å; S276-F278 PolarHBondContact OG-N 3.07Å; S276-H279 PolarHBondContact O-N 2.88Å; S276-K280 PolarHBondContact O-N 3.48Å; S276-K280 VanDerWaalsContact O-N 3.1Å
277E91Very high92.1Very high48 Ų48109.9 Ų109.922%0.22452%0.518CS..Hα-helixtrans-59.1-27.8174.4-63.2-52.4134.400112.4K280 K281E277-K280 WeakPolarHBondContact OE1-CD 3.12Å; E277-K280 IonicContact OE1-NZ 3.57Å; E277-K280 PolarHBondContact OE1-NZ 2.85Å; E277-K280 WeakPolarHBondContact OE2-CD 3.48Å; E277-K281 WeakPolarHBondContact O-CB 3.47Å; E277-K281 WeakPolarHBondContact O-CG 3.48Å; E277-K281 PolarHBondContact O-N 2.8Å
278F92.5Very high92.9Very high154 Ų154113.2 Ų113.268%0.67554%0.542SS*.Hα-helixtrans-59.2-49.1170.1175.2-95.3000111.5S276 K281 F282S276-F278 PolarHBondContact O-N 3.06Å; S276-F278 PolarHBondContact OG-N 3.07Å; F278-K281 PolarHBondContact O-N 3.49Å; F278-F282 WeakPolarHBondContact O-CB 3.48Å; F278-F282 PolarHBondContact O-N 3.4Å
279H94.4Very high93.4Very high44 Ų44116.7 Ų116.720%0.20455%0.546CS..Hα-helixtrans-67.9-39.8-178.7-169.493.8000112.1T273 L274 S276 F282 M283T273-H279 VanDerWaalsContact O-CB 3.29Å; T273-H279 WeakPolarHBondContact O-CB 3.41Å; T273-H279 PolarHBondContact O-ND1 2.92Å; L274-H279 PolarHBondContact O-CD2 2.93Å; L274-H279 VanDerWaalsContact O-CD2 3.31Å; S276-H279 PolarHBondContact O-N 2.88Å; H279-F282 PolarHBondContact O-N 3.24Å; H279-M283 WeakPolarHBondContact CE1-CE 3.16Å; H279-M283 WeakPolarHBondContact NE2-CE 3.47Å; H279-M283 WeakPolarHBondContact O-CG 3.41Å; H279-M283 PolarHBondContact O-N 3.21Å
280K92.9Very high93.6Very high99 Ų99113.7 Ų113.743%0.4353%0.534SS..Hα-helixtrans-60.1-46.6173.8-69165.3177.1148.10111.7R275 S276 E277 K284R275-K280 VanDerWaalsContact O-CE 3.26Å; R275-K280 WeakPolarHBondContact O-CE 3.33Å; R275-K280 PolarHBondContact O-NZ 3.43Å; S276-K280 PolarHBondContact O-N 3.48Å; S276-K280 VanDerWaalsContact O-N 3.1Å; E277-K280 WeakPolarHBondContact OE1-CD 3.12Å; E277-K280 IonicContact OE1-NZ 3.57Å; E277-K280 PolarHBondContact OE1-NZ 2.85Å; E277-K280 WeakPolarHBondContact OE2-CD 3.48Å; K280-K284 VanDerWaalsContact O-CB 3.28Å; K280-K284 WeakPolarHBondContact O-CB 3.45Å; K280-K284 PolarHBondContact O-N 3.2Å
281K93.4Very high93.7Very high118 Ų118116.8 Ų116.851%0.51355%0.545SS..Hα-helixtrans-63.1-43175.4-73.6172.6-177.7-178.20111.7E277 F278 K284 K285E277-K281 WeakPolarHBondContact O-CB 3.47Å; E277-K281 WeakPolarHBondContact O-CG 3.48Å; E277-K281 PolarHBondContact O-N 2.8Å; F278-K281 PolarHBondContact O-N 3.49Å; K281-K284 PolarHBondContact O-N 3.06Å; K281-K285 WeakPolarHBondContact O-CB 3.43Å; K281-K285 PolarHBondContact O-N 2.81Å
282F95.2Very high93.7Very high86 Ų86114.6 Ų114.638%0.37753%0.528SS..Hα-helixtrans-58.6-54.4176.1178.4-85.7000111.3F278 H279 K284 K285 Y286F278-F282 WeakPolarHBondContact O-CB 3.48Å; F278-F282 PolarHBondContact O-N 3.4Å; H279-F282 PolarHBondContact O-N 3.24Å; F282-K284 VanDerWaalsContact C-N 3.31Å; F282-K284 PolarHBondContact O-N 3.3Å; F282-K285 PolarHBondContact O-N 2.69Å; F282-Y286 HydrophobicContact CD1-CD2 4.2Å; F282-Y286 AromaticContact CD2-CD2 3.52Å; F282-Y286 HydrophobicContact CD2-CD2 3.52Å; F282-Y286 AromaticContact CD2-CE2 3.58Å; F282-Y286 HydrophobicContact CD2-CE2 3.58Å; F282-Y286 HydrophobicContact CE1-CD2 4.14Å; F282-Y286 AromaticContact CE2-CD2 3.45Å; F282-Y286 HydrophobicContact CE2-CD2 3.45Å; F282-Y286 VanDerWaalsContact CE2-CD2 3.45Å; F282-Y286 AromaticContact CE2-CE2 3.56Å; F282-Y286 HydrophobicContact CE2-CE2 3.56Å; F282-Y286 HydrophobicContact CE2-CG 4.37Å; F282-Y286 AromaticContact CG-CD2 3.89Å; F282-Y286 HydrophobicContact CG-CD2 3.89Å; F282-Y286 HydrophobicContact CG-CE2 4.34Å; F282-Y286 AromaticContact CZ-CD2 3.77Å; F282-Y286 HydrophobicContact CZ-CD2 3.77Å; F282-Y286 HydrophobicContact CZ-CE2 4.31Å; F282-Y286 HydrophobicContact CZ-CG 4.33Å; F282-Y286 VanDerWaalsContact O-CD2 3.29Å; F282-Y286 WeakPolarHBondContact O-CD2 3.45Å; F282-Y286 PolarHBondContact O-N 3Å
283M96.6Very high93.6Very high69 Ų69119.3 Ų119.334%0.3455%0.548SS..Hα-helixtrans-63.8-36.9-179.1-67-58.8172.900112H279 K285 I287H279-M283 WeakPolarHBondContact CE1-CE 3.16Å; H279-M283 WeakPolarHBondContact NE2-CE 3.47Å; H279-M283 WeakPolarHBondContact O-CG 3.41Å; H279-M283 PolarHBondContact O-N 3.21Å; M283-K285 VanDerWaalsContact C-N 3.26Å; M283-K285 PolarHBondContact O-N 3.34Å; M283-I287 HydrophobicContact CB-CD1 4.45Å; M283-I287 WeakPolarHBondContact O-CB 3.14Å; M283-I287 PolarHBondContact O-N 3.24Å; M283-I287 HydrophobicContact SD-CD1 3.6Å; M283-I287 VanDerWaalsContact SD-CD1 3.6Å; M283-I287 HydrophobicContact SD-CG1 4.27Å
284K94.9Very high93.6Very high187 Ų187119.1 Ų119.181%0.81354%0.535SS*.Hα-helixtrans-66-22.6172.1-175.8177.2176.9-175.80114K280 K281 F282K280-K284 VanDerWaalsContact O-CB 3.28Å; K280-K284 WeakPolarHBondContact O-CB 3.45Å; K280-K284 PolarHBondContact O-N 3.2Å; K281-K284 PolarHBondContact O-N 3.06Å; F282-K284 VanDerWaalsContact C-N 3.31Å; F282-K284 PolarHBondContact O-N 3.3Å
285K96.4Very high93.5Very high157 Ų157119.4 Ų119.468%0.68353%0.53SS*.Hα-helixtrans-89.1-35.1178.7-176177.7178.5-1750112.6K281 F282 M283K281-K285 WeakPolarHBondContact O-CB 3.43Å; K281-K285 PolarHBondContact O-N 2.81Å; F282-K285 PolarHBondContact O-N 2.69Å; M283-K285 VanDerWaalsContact C-N 3.26Å; M283-K285 PolarHBondContact O-N 3.34Å
286Y97.4Very high93.7Very high143 Ų143115.6 Ų115.656%0.56152%0.522SS*.Hα-helixtrans-109.4-5.4-170.5-65.7-72.8000115F282F282-Y286 HydrophobicContact CD1-CD2 4.2Å; F282-Y286 AromaticContact CD2-CD2 3.52Å; F282-Y286 HydrophobicContact CD2-CD2 3.52Å; F282-Y286 AromaticContact CD2-CE2 3.58Å; F282-Y286 HydrophobicContact CD2-CE2 3.58Å; F282-Y286 HydrophobicContact CE1-CD2 4.14Å; F282-Y286 AromaticContact CE2-CD2 3.45Å; F282-Y286 HydrophobicContact CE2-CD2 3.45Å; F282-Y286 VanDerWaalsContact CE2-CD2 3.45Å; F282-Y286 AromaticContact CE2-CE2 3.56Å; F282-Y286 HydrophobicContact CE2-CE2 3.56Å; F282-Y286 HydrophobicContact CE2-CG 4.37Å; F282-Y286 AromaticContact CG-CD2 3.89Å; F282-Y286 HydrophobicContact CG-CD2 3.89Å; F282-Y286 HydrophobicContact CG-CE2 4.34Å; F282-Y286 AromaticContact CZ-CD2 3.77Å; F282-Y286 HydrophobicContact CZ-CD2 3.77Å; F282-Y286 HydrophobicContact CZ-CE2 4.31Å; F282-Y286 HydrophobicContact CZ-CG 4.33Å; F282-Y286 VanDerWaalsContact O-CD2 3.29Å; F282-Y286 WeakPolarHBondContact O-CD2 3.45Å; F282-Y286 PolarHBondContact O-N 3Å
287I93.9Very high93.9Very high110 Ų110123.3 Ų123.356%0.56455%0.552SS**  trans-118.7136.6171.3-53.1-179.2000108.5M283M283-I287 HydrophobicContact CB-CD1 4.45Å; M283-I287 WeakPolarHBondContact O-CB 3.14Å; M283-I287 PolarHBondContact O-N 3.24Å; M283-I287 HydrophobicContact SD-CD1 3.6Å; M283-I287 VanDerWaalsContact SD-CD1 3.6Å; M283-I287 HydrophobicContact SD-CG1 4.27Å
288Q87.7Confident94.1Very high265 Ų265130.2 Ų130.2100%1.23858%0.582SS**  trans-102.40176.6-65.5-177.9-7.900110.8

Retrieved 288 of 288 residues in 86.8 ms (Link to these results)