A0A096N451_PAPAN Loading...

Ciliary microtubule associated protein 1A

AlphaFold DB , UniProt , Accession A0A096N451, Species PAPAN (Papio anubis, Olive baboon), Gene CIMAP1A, Length 254 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
1M39Very low58.2Low246 Ų246151.8 Ų151.8100%1.21277%0.765SS**  0104.20-65.7173.8-161.400106.3
2T43.1Very low59.3Low130 Ų130145.6 Ų145.680%0.79874%0.743SS**  trans-99116.7-175.747.80000108.9E4T2-E4 PolarHBondContact O-N 3.3Å
3E55.5Low60.1Low185 Ų185145.2 Ų145.286%0.86474%0.736SS**  trans-66.9115.9177.5-65.8-178.8161.500110V5E3-V5 PolarHBondContact O-N 3.11Å
4E57.8Low60.6Low98 Ų98146.5 Ų146.546%0.45873%0.727SS.*  trans-83.1107.1175.8-65.5-175.9176.900109T2 W6 R14T2-E4 PolarHBondContact O-N 3.3Å; E4-W6 PolarHBondContact O-N 2.85Å; E4-R14 IonicContact OE1-CZ 3.04Å; E4-R14 IonicContact OE1-NH1 2.77Å; E4-R14 PolarHBondContact OE1-NH1 3.06Å; E4-R14 IonicContact OE1-NH2 2.65Å; E4-R14 PolarHBondContact OE1-NH2 2.99Å; E4-R14 IonicContact OE2-CZ 3.85Å; E4-R14 IonicContact OE2-NH2 2.77Å; E4-R14 PolarHBondContact OE2-NH2 3.01Å
5V60Low61.3Low123 Ų123143.2 Ų143.275%0.74572%0.721SS**  trans-77.7115.3176.1-179.40000109.1E3E3-V5 PolarHBondContact O-N 3.11Å
6W56.7Low62.2Low150 Ų150149.2 Ų149.257%0.56873%0.732SS**  trans-87.4140177.6-70.377.6000111.3E4 R11E4-W6 PolarHBondContact O-N 2.85Å; W6-R11 HydrophobicContact CZ3-CG 4.08Å
7M55.2Low63.1Low152 Ų152142.7 Ų142.775%0.74971%0.713SS**BIsolated β-bridgetrans-123.990.2166.3-70.3-164.617400109.7
8G73.8Confident63.7Low67 Ų67139.6 Ų139.669%0.69170%0.704SS**THydrogen-bonded Turntrans64.8-146.3175.200000115W10G8-W10 VanDerWaalsContact C-N 3.33Å
9T70.9Confident64Low156 Ų156138.1 Ų138.196%0.95770%0.697SS**THydrogen-bonded Turntrans-82.1-5.7-177.250.90000114.3
10W56.7Low63.9Low176 Ų176138.5 Ų138.567%0.66770%0.698SS**BIsolated β-bridgetrans-96.2128.2-177.9-177.585000110.6G8 P12G8-W10 VanDerWaalsContact C-N 3.33Å; W10-P12 HydrophobicContact CE3-CB 4.32Å; W10-P12 HydrophobicContact CE3-CG 4.29Å; W10-P12 VanDerWaalsContact CH2-CA 3.48Å; W10-P12 HydrophobicContact CH2-CB 3.71Å; W10-P12 VanDerWaalsContact CZ3-CA 3.46Å; W10-P12 HydrophobicContact CZ3-CB 3.48Å; W10-P12 VanDerWaalsContact CZ3-CB 3.48Å; W10-P12 HydrophobicContact CZ3-CG 3.78Å
11R71.7Confident63.8Low187 Ų187136.7 Ų136.771%0.70671%0.705SS**PPolyproline II helixtrans-97.4118.9174.9-66.8-175.4-177.8-177.20.8109.3W6 H13W6-R11 HydrophobicContact CZ3-CG 4.08Å; R11-H13 PolarHBondContact O-N 3.37Å
12P70.8Confident65Low77 Ų77131 Ų13150%0.568%0.679SS.*PPolyproline II helixtrans-60.5128170.66.2-5.4000109.8W10 R14W10-P12 HydrophobicContact CE3-CB 4.32Å; W10-P12 HydrophobicContact CE3-CG 4.29Å; W10-P12 VanDerWaalsContact CH2-CA 3.48Å; W10-P12 HydrophobicContact CH2-CB 3.71Å; W10-P12 VanDerWaalsContact CZ3-CA 3.46Å; W10-P12 HydrophobicContact CZ3-CB 3.48Å; W10-P12 VanDerWaalsContact CZ3-CB 3.48Å; W10-P12 HydrophobicContact CZ3-CG 3.78Å; P12-R14 PolarHBondContact O-N 3.2Å; P12-R14 VanDerWaalsContact O-N 3.14Å
13H69.8Low66.3Low140 Ų140131.2 Ų131.265%0.64867%0.666SS**PPolyproline II helixtrans-62.5116.5177.1-178.1-1.4000109.3R11R11-H13 PolarHBondContact O-N 3.37Å
14R67.9Low66.5Low164 Ų164128.3 Ų128.362%0.61967%0.666SS**PPolyproline II helixtrans-70.1127.7170.5-64.3-175.4-158.317612.8109.6E4 P12 R16E4-R14 IonicContact OE1-CZ 3.04Å; E4-R14 IonicContact OE1-NH1 2.77Å; E4-R14 PolarHBondContact OE1-NH1 3.06Å; E4-R14 IonicContact OE1-NH2 2.65Å; E4-R14 PolarHBondContact OE1-NH2 2.99Å; E4-R14 IonicContact OE2-CZ 3.85Å; E4-R14 IonicContact OE2-NH2 2.77Å; E4-R14 PolarHBondContact OE2-NH2 3.01Å; P12-R14 PolarHBondContact O-N 3.2Å; P12-R14 VanDerWaalsContact O-N 3.14Å; R14-R16 PolarHBondContact O-N 3.3Å
15P70Confident66.6Low97 Ų97127.3 Ų127.363%0.6367%0.67SS**PPolyproline II helixtrans-57.8133.9177.723.7-32.1000109.7G17P15-G17 PolarHBondContact O-N 3.11Å; P15-G17 VanDerWaalsContact O-N 3.1Å
16R76.3Confident66.7Low239 Ų239128 Ų12890%0.90268%0.677SS**SBendtrans-72.61.5-173.4-63-163175.9-165.8-1.9114.4R14R14-R16 PolarHBondContact O-N 3.3Å
17G78.3Confident66.8Low39 Ų39122.9 Ų122.940%0.40267%0.671SS.*SBendtrans167.3172.5-179.500000110.5P15 I19P15-G17 PolarHBondContact O-N 3.11Å; P15-G17 VanDerWaalsContact O-N 3.1Å; G17-I19 PolarHBondContact O-N 3.24Å
18P73.6Confident66.9Low86 Ų86121.2 Ų121.256%0.55867%0.671SS**  trans-65.1124.6174.628-32.9000109.7L22 Y23P18-L22 HydrophobicContact CB-CD1 4.31Å; P18-Y23 HydrophobicContact CB-CE2 3.8Å; P18-Y23 WeakPolarHBondContact CB-OH 3.18Å; P18-Y23 HydrophobicContact CG-CE2 4.26Å; P18-Y23 VanDerWaalsContact CG-OH 3.27Å; P18-Y23 WeakPolarHBondContact CG-OH 3.4Å
19I68.6Low65.9Low112 Ų112127.3 Ų127.357%0.57468%0.679SS**  trans-86.5144.7176.2-33.9172000107.6G17 A21 L22G17-I19 PolarHBondContact O-N 3.24Å; I19-A21 PolarHBondContact O-N 3.26Å; I19-L22 WeakPolarHBondContact O-CB 3.38Å; I19-L22 PolarHBondContact O-N 3.27Å
20M61.5Low65.4Low146 Ų146129 Ų12972%0.71967%0.669SS**G310 helixtrans-49.3-27.7-178.1-80.5-73.3-67.500115.1L22 Y23M20-L22 PolarHBondContact O-N 3.14Å; M20-Y23 PolarHBondContact O-N 3.4Å; M20-Y23 VanDerWaalsContact O-N 3.16Å
21A63.3Low65.8Low101 Ų101128.8 Ų128.884%0.83568%0.679SS**G310 helixtrans-67.2-16.5175.400000114.7I19 Y23I19-A21 PolarHBondContact O-N 3.26Å; A21-Y23 VanDerWaalsContact C-N 3.33Å
22L64.6Low65.7Low126 Ų126126.7 Ų126.766%0.6668%0.681SS**G310 helixtrans-81.3-15174-67.8165.3000112.5P18 I19 M20P18-L22 HydrophobicContact CB-CD1 4.31Å; I19-L22 WeakPolarHBondContact O-CB 3.38Å; I19-L22 PolarHBondContact O-N 3.27Å; M20-L22 PolarHBondContact O-N 3.14Å
23Y68.6Low65.8Low134 Ų134125.9 Ų125.953%0.52568%0.676SS.*SBendtrans-94.9113.7174.1-62.2-82.6000108.3P18 M20 A21 S25P18-Y23 HydrophobicContact CB-CE2 3.8Å; P18-Y23 WeakPolarHBondContact CB-OH 3.18Å; P18-Y23 HydrophobicContact CG-CE2 4.26Å; P18-Y23 VanDerWaalsContact CG-OH 3.27Å; P18-Y23 WeakPolarHBondContact CG-OH 3.4Å; M20-Y23 PolarHBondContact O-N 3.4Å; M20-Y23 VanDerWaalsContact O-N 3.16Å; A21-Y23 VanDerWaalsContact C-N 3.33Å; Y23-S25 PolarHBondContact O-N 3.23Å
24S61.4Low65.9Low125 Ų125122.1 Ų122.187%0.87466%0.664SS**  trans-68.369.3166.136.20000109.5
25S58.6Low66.2Low76 Ų76117.2 Ų117.253%0.53165%0.652SS.*  trans-60.9151.6162.159.40000108.3Y23 G27Y23-S25 PolarHBondContact O-N 3.23Å; S25-G27 PolarHBondContact O-N 3.28Å
26P62.9Low66.5Low139 Ų139116.4 Ų116.490%0.90365%0.645SS**  trans-67.668.9167.229.8-32.7000108.4
27G59.1Low66.3Low42 Ų42105.5 Ų105.543%0.43361%0.608SS.*  trans-62.2155.5172.500000109.3S25 K29S25-G27 PolarHBondContact O-N 3.28Å; G27-K29 PolarHBondContact O-N 3.29Å
28P55.7Low66Low116 Ų116111.1 Ų111.175%0.75362%0.621SS**  trans-49.8125.7-163.418.9-31.5000111.5Y30P28-Y30 PolarHBondContact O-N 3.07Å
29K52.9Low66.1Low196 Ų196114.2 Ų114.285%0.85263%0.63SS**SBendtrans-6525178.6-163.2-177174178.80113.2G27G27-K29 PolarHBondContact O-N 3.29Å
30Y61.1Low66.5Low191 Ų191117.5 Ų117.575%0.74964%0.64SS**  trans-128.290.8178.9-51.6-69.8000107.1P28 I32P28-Y30 PolarHBondContact O-N 3.07Å; Y30-I32 PolarHBondContact O-N 3.15Å
31L64.7Low67.4Low171 Ų171112.4 Ų112.490%0.89561%0.614SS**  trans-57.4110.1166.3-90.7118.1000107.8P33L31-P33 WeakPolarHBondContact O-CD 3.46Å
32I70.4Confident68.1Low143 Ų143108.3 Ų108.373%0.73358%0.579SS**PPolyproline II helixtrans-65.2124.2168.1-58.9173.2000106.2Y30Y30-I32 PolarHBondContact O-N 3.15Å
33P71.7Confident68.7Low60 Ų60108.4 Ų108.439%0.3959%0.588SS.*PPolyproline II helixtrans-65.4144.6-178.6-13.726.3000110.5L31 K40 T42L31-P33 WeakPolarHBondContact O-CD 3.46Å; P33-K40 VanDerWaalsContact CB-O 3.24Å; P33-K40 WeakPolarHBondContact CB-O 3.17Å; P33-T42 HydrophobicContact CB-CG2 3.52Å; P33-T42 HydrophobicContact CG-CG2 3.65Å
34P73.1Confident69.3Low61 Ų61108 Ų10840%0.39660%0.599SS.*PPolyproline II helixtrans-63.6147.8-176.526.3-35.1000111.7K40 H41P34-K40 WeakPolarHBondContact CD-O 2.98Å; P34-H41 WeakPolarHBondContact O-CA 3.38Å
35T74Confident70.2Confident62 Ų62107.7 Ų107.738%0.3858%0.582SS.*SBendtrans-93.2-1.2174.951.70000113.1H41 K45 A48T35-H41 PolarHBondContact O-CD2 3.26Å; T35-H41 VanDerWaalsContact O-CD2 3.29Å; T35-K45 HydrophobicContact CG2-CD 3.76Å; T35-A48 PolarHBondContact O-N 2.52Å
36T76.2Confident71.2Confident79 Ų79112.2 Ų112.249%0.48560%0.599SS.*BIsolated β-bridgetrans-112.8139.8-179.138.40000111.1A48T36-A48 HydrophobicContact CG2-CB 3.84Å
37G71.9Confident72Confident11 Ų11112.1 Ų112.111%0.11358%0.581CS.*SBendtrans86.1176.5177.100000114.4R47 A48G37-R47 PolarHBondContact O-NE 3.43Å; G37-A48 PolarHBondContact N-O 3.23Å
38F72Confident72.9Confident156 Ų156111.9 Ų111.968%0.68458%0.575SS**SBendtrans-88.2-40.2-177.8-170.5-110000112.4K40 R47F38-K40 PolarHBondContact O-N 2.87Å; F38-R47 VanDerWaalsContact CA-NH2 3.34Å
39M75.8Confident73.7Confident151 Ų151110.6 Ų110.674%0.74457%0.567SS**THydrogen-bonded Turntrans-78.7124.8-171-59.3-119.376.500109.7H41M39-H41 VanDerWaalsContact C-N 3.31Å; M39-H41 PolarHBondContact O-N 3.04Å
40K76.4Confident74.7Confident182 Ų182104.4 Ų104.479%0.79155%0.552SS**THydrogen-bonded Turntrans62.528176.8-53.7178.9178.6178.10115P33 P34 F38P33-K40 VanDerWaalsContact CB-O 3.24Å; P33-K40 WeakPolarHBondContact CB-O 3.17Å; P34-K40 WeakPolarHBondContact CD-O 2.98Å; F38-K40 PolarHBondContact O-N 2.87Å
41H80.9Confident75.2Confident38 Ų38104.7 Ų104.718%0.17655%0.553CS.*  trans-71141.4174.8173.5-76.6000111.9P34 T35 M39 K45 L46 R47P34-H41 WeakPolarHBondContact O-CA 3.38Å; T35-H41 PolarHBondContact O-CD2 3.26Å; T35-H41 VanDerWaalsContact O-CD2 3.29Å; M39-H41 VanDerWaalsContact C-N 3.31Å; M39-H41 PolarHBondContact O-N 3.04Å; H41-K45 PolarHBondContact CE1-O 2.76Å; H41-L46 PolarHBondContact NE2-O 3.36Å; H41-R47 VanDerWaalsContact NE2-CA 3.35Å; H41-R47 WeakPolarHBondContact NE2-CA 3.35Å
42T78.2Confident75.4Confident15 Ų15101.9 Ų101.99%0.09255%0.548CS..  trans-69.7117.1177.152.30000112.1P33 T44 K45P33-T42 HydrophobicContact CB-CG2 3.52Å; P33-T42 HydrophobicContact CG-CG2 3.65Å; T42-T44 PolarHBondContact O-N 2.67Å; T42-K45 PolarHBondContact O-N 3.2Å
43P76.9Confident75.4Confident129 Ų129104.6 Ų104.684%0.83856%0.555SS**THydrogen-bonded Turntrans-64.5-15-175.326.8-35.4000114.4
44T81.3Confident74.9Confident126 Ų126113 Ų11377%0.77358%0.579SS**THydrogen-bonded Turntrans-84.4-8.3-178.856.80000114.4T42T42-T44 PolarHBondContact O-N 2.67Å
45K81.3Confident74.7Confident118 Ų118113 Ų11351%0.51359%0.589SS.*SBendtrans-119.6158.7-176.6-65.4-177.7177.6-179.70111.4T35 H41 T42T35-K45 HydrophobicContact CG2-CD 3.76Å; H41-K45 PolarHBondContact CE1-O 2.76Å; T42-K45 PolarHBondContact O-N 3.2Å
46L79.4Confident74.2Confident170 Ų170114.5 Ų114.589%0.8961%0.608SS**PPolyproline II helixtrans-68.4146.1171.2-65.3174.9000110.4H41H41-L46 PolarHBondContact NE2-O 3.36Å
47R80.1Confident73.6Confident137 Ų137116 Ų11652%0.51762%0.619SS.*PPolyproline II helixtrans-91.6123.7-176.2-178.3176174.5-140-10.1111.4G37 F38 H41G37-R47 PolarHBondContact O-NE 3.43Å; F38-R47 VanDerWaalsContact CA-NH2 3.34Å; H41-R47 VanDerWaalsContact NE2-CA 3.35Å; H41-R47 WeakPolarHBondContact NE2-CA 3.35Å
48A76.2Confident73.1Confident37 Ų37123.9 Ų123.931%0.30666%0.655SS.*BIsolated β-bridgetrans-85.4143.2171.400000111.2T35 T36 G37T35-A48 PolarHBondContact O-N 2.52Å; T36-A48 HydrophobicContact CG2-CB 3.84Å; G37-A48 PolarHBondContact N-O 3.23Å
49P73.9Confident72.5Confident90 Ų90123.8 Ų123.858%0.58466%0.661SS**PPolyproline II helixtrans-63.1142.5177.226.5-33.7000111.2Y51P49-Y51 HydrophobicContact CB-CE2 4.06Å; P49-Y51 HydrophobicContact CG-CE2 4.06Å
50A72.9Confident71.7Confident66 Ų66123.1 Ų123.155%0.54566%0.66SS.*  trans-111.9115.5173.100000109.3
51Y71.1Confident70.7Confident197 Ų197118.9 Ų118.977%0.77366%0.658SS**  trans-93.3114.3173.9-62.2-81.9000108.6P49P49-Y51 HydrophobicContact CB-CE2 4.06Å; P49-Y51 HydrophobicContact CG-CE2 4.06Å
52S69.5Low69.7Low112 Ų112123.8 Ų123.878%0.78368%0.682SS**  trans-93.4119.2167.558.50000108.8R54S52-R54 PolarHBondContact O-N 3.12Å
53F71Confident68.8Low199 Ų199128.4 Ų128.487%0.87371%0.706SS**  trans-70.6121.7160.7-63.6-76.3000107.3G55F53-G55 PolarHBondContact O-N 2.92Å
54R61.2Low67.8Low238 Ų238128.6 Ų128.690%0.89871%0.709SS**  trans-59.1111175.8-179.6-175.8-71.3-91.22.7107.4S52S52-R54 PolarHBondContact O-N 3.12Å
55G68.5Low66.9Low60 Ų60126.8 Ų126.862%0.61970%0.701SS**PPolyproline II helixtrans-58.5146171.800000110.4F53F53-G55 PolarHBondContact O-N 2.92Å
56A64.6Low66.2Low94 Ų94128.4 Ų128.478%0.77772%0.723SS**PPolyproline II helixtrans-58.5135.6176.300000109.8M58A56-M58 PolarHBondContact O-N 3.36Å
57P63.7Low65.6Low110 Ų110122.2 Ų122.271%0.71470%0.701SS**PPolyproline II helixtrans-59.2134.5174.625.2-32.3000109.2L59P57-L59 PolarHBondContact O-N 2.95Å
58M60.3Low65.1Low176 Ų176120.2 Ų120.287%0.86771%0.706SS**  trans-55.9113.7169.7-99.2-167.877.400108A56 L60A56-M58 PolarHBondContact O-N 3.36Å; M58-L60 PolarHBondContact O-N 2.83Å; M58-L60 VanDerWaalsContact O-N 3.11Å
59L59.4Low64.6Low154 Ų154126.3 Ų126.381%0.80672%0.721SS**  trans-67.9109.1166.2-64.9179.5000106.4P57 A61P57-L59 PolarHBondContact O-N 2.95Å; L59-A61 VanDerWaalsContact C-N 3.27Å; L59-A61 PolarHBondContact O-N 2.76Å
60L58Low64.4Low138 Ų138130.8 Ų130.872%0.72373%0.727SS**  trans-6693.2170.5-157.181000107.1M58 E62M58-L60 PolarHBondContact O-N 2.83Å; M58-L60 VanDerWaalsContact O-N 3.11Å; L60-E62 HydrophobicContact CG-CG 4.44Å; L60-E62 PolarHBondContact O-N 3.01Å
61A57.5Low64.3Low92 Ų92134.2 Ų134.276%0.7674%0.737SS**  trans-78.556.7-173.200000111.8L59L59-A61 VanDerWaalsContact C-N 3.27Å; L59-A61 PolarHBondContact O-N 2.76Å
62E58.7Low64.4Low142 Ų142129.8 Ų129.866%0.66473%0.73SS**SBendtrans-98.9-15.6-177.9-76.7-168.516500114.8L60L60-E62 HydrophobicContact CG-CG 4.44Å; L60-E62 PolarHBondContact O-N 3.01Å
63N59.3Low64.7Low112 Ų112128.9 Ų128.960%0.59972%0.716SS**  trans-152.766.3-169.7-65.9-70.8000114.3
64C56.6Low64.9Low133 Ų133125 Ų12590%0.89971%0.711SS**  trans-100.193.4170.8-65.60000110.4
65S61.1Low65.6Low88 Ų88120.3 Ų120.362%0.61570%0.697SS**  trans-102.8149.4158.357.40000109.1G67S65-G67 PolarHBondContact O-N 2.74Å
66P66.8Low66.3Low151 Ų151121.7 Ų121.798%0.98169%0.689SS**SBendtrans-73.314.8-170.629.9-35.2000114.3
67G67.5Low67.1Low40 Ų40121.5 Ų121.541%0.41268%0.675SS.*SBendtrans-118.8155.8-176.300000113S65 R69S65-G67 PolarHBondContact O-N 2.74Å; G67-R69 PolarHBondContact O-N 2.71Å; G67-R69 VanDerWaalsContact O-N 3.11Å
68P69.5Low67.8Low96 Ų96127.7 Ų127.762%0.62368%0.684SS**  trans-60.7115.7173.524.5-31.7000110.1Y70P68-Y70 HydrophobicContact CB-CE2 3.98Å; P68-Y70 HydrophobicContact CG-CE2 3.83Å; P68-Y70 WeakPolarHBondContact O-CD2 3.27Å; P68-Y70 PolarHBondContact O-N 3.35Å
69R65.6Low68.8Low165 Ų165125 Ų12562%0.62368%0.678SS**  trans-80.5105.1173.3-177.4179.9174.6165.65.5109.2G67 N71G67-R69 PolarHBondContact O-N 2.71Å; G67-R69 VanDerWaalsContact O-N 3.11Å; R69-N71 PolarHBondContact NE-OD1 3.31Å; R69-N71 PolarHBondContact O-N 3.16Å
70Y69.4Low69.9Low183 Ų183119.4 Ų119.472%0.71866%0.657SS**  trans-81.6108170.8-58.6-76.7000109.2P68 V72P68-Y70 HydrophobicContact CB-CE2 3.98Å; P68-Y70 HydrophobicContact CG-CE2 3.83Å; P68-Y70 WeakPolarHBondContact O-CD2 3.27Å; P68-Y70 PolarHBondContact O-N 3.35Å; Y70-V72 PolarHBondContact O-N 2.97Å
71N71.5Confident71Confident139 Ų139120 Ų12074%0.74365%0.654SS**  trans-74.278.5170.1-79.3-12.5000109.3R69R69-N71 PolarHBondContact NE-OD1 3.31Å; R69-N71 PolarHBondContact O-N 3.16Å
72V72.9Confident72Confident103 Ų103120.5 Ų120.562%0.62464%0.643SS**  trans-75.5127.3173.2-165.80000108Y70Y70-V72 PolarHBondContact O-N 2.97Å
73N75.1Confident72.7Confident93 Ų93120.1 Ų120.150%0.49765%0.645SS.*  trans-64.5125.6179.4-162.8-48.9000108.7K75 I76N73-K75 PolarHBondContact O-N 2.83Å; N73-K75 PolarHBondContact OD1-N 3.38Å; N73-I76 HydrophobicContact CB-CD1 3.83Å; N73-I76 HydrophobicContact CB-CG1 4.15Å; N73-I76 PolarHBondContact O-N 2.92Å
74P75.6Confident73.4Confident119 Ų119117.4 Ų117.477%0.77364%0.644SS**THydrogen-bonded Turntrans-62.8-13.9-174.224.9-35.3000113.5I76P74-I76 VanDerWaalsContact C-N 3.27Å; P74-I76 PolarHBondContact O-N 3.46Å
75K77.1Confident74.3Confident139 Ų139115.9 Ų115.960%0.60463%0.632SS**THydrogen-bonded Turntrans-83.99.7175.1-61-176.2178.2-176.50113.8N73 K81 D82N73-K75 PolarHBondContact O-N 2.83Å; N73-K75 PolarHBondContact OD1-N 3.38Å; K75-K81 CarbonylContact O-C 3.48Å; K75-K81 VanDerWaalsContact O-CA 3.25Å; K75-K81 WeakPolarHBondContact O-CA 3.27Å; K75-D82 PolarHBondContact O-N 2.96Å
76I81.6Confident74.4Confident88 Ų88116.4 Ų116.445%0.45164%0.641SS.*EExtended strand (participates in β ladder)trans-105.2108.9177.2-61.1171000108.4N73 P74 K81N73-I76 HydrophobicContact CB-CD1 3.83Å; N73-I76 HydrophobicContact CB-CG1 4.15Å; N73-I76 PolarHBondContact O-N 2.92Å; P74-I76 VanDerWaalsContact C-N 3.27Å; P74-I76 PolarHBondContact O-N 3.46Å; I76-K81 HydrophobicContact CG1-CG 4.2Å
77L81.1Confident74.5Confident90 Ų90118.9 Ų118.947%0.47163%0.633SS.*EExtended strand (participates in β ladder)trans-97.5166.7174.8-57.7175.2000110.2T79 G80 D82L77-T79 PolarHBondContact O-N 3.3Å; L77-G80 CarbonylContact C-O 3.59Å; L77-G80 WeakPolarHBondContact CA-O 3.37Å; L77-G80 PolarHBondContact N-O 3.17Å; L77-G80 PolarHBondContact O-N 3.11Å; L77-G80 VanDerWaalsContact O-O 3.08Å; L77-D82 HydrophobicContact CD1-CB 3.76Å; L77-D82 HydrophobicContact CG-CB 4.12Å
78R79.8Confident74.5Confident240 Ų240122 Ų12291%0.90665%0.648SS**THydrogen-bonded Turntrans-53.5-28.6176.9-172.1-175.86982-0.3113.2
79T81.1Confident74.6Confident121 Ų121125.3 Ų125.374%0.74266%0.659SS**THydrogen-bonded Turntrans-95.9-2.4-177.148.40000113.9L77L77-T79 PolarHBondContact O-N 3.3Å
80G81.4Confident74.8Confident35 Ų35124.9 Ų124.936%0.36167%0.668SS.*EExtended strand (participates in β ladder)trans132.9-167.8-177.100000112.7L77L77-G80 CarbonylContact C-O 3.59Å; L77-G80 WeakPolarHBondContact CA-O 3.37Å; L77-G80 PolarHBondContact N-O 3.17Å; L77-G80 PolarHBondContact O-N 3.11Å; L77-G80 VanDerWaalsContact O-O 3.08Å
81K82.3Confident74.9Confident152 Ų152119 Ų11966%0.66166%0.662SS**EExtended strand (participates in β ladder)trans-75.6131.2175.9-69.8175.9-178.7175.50109.8K75 I76 L83K75-K81 CarbonylContact O-C 3.48Å; K75-K81 VanDerWaalsContact O-CA 3.25Å; K75-K81 WeakPolarHBondContact O-CA 3.27Å; I76-K81 HydrophobicContact CG1-CG 4.2Å; K81-L83 VanDerWaalsContact C-N 3.29Å; K81-L83 HydrophobicContact CB-CD1 4.43Å; K81-L83 HydrophobicContact CB-CG 4.07Å; K81-L83 PolarHBondContact O-N 3.1Å
82D77.5Confident74.8Confident101 Ų101123.9 Ų123.954%0.5467%0.671SS.*  trans-71.288.3170.2-167.315.3000108.9K75 L77K75-D82 PolarHBondContact O-N 2.96Å; L77-D82 HydrophobicContact CD1-CB 3.76Å; L77-D82 HydrophobicContact CG-CB 4.12Å
83L72.9Confident74.5Confident135 Ų135129 Ų12971%0.70768%0.68SS**  trans-103.8122.9172.6-61.9173.5000106K81K81-L83 VanDerWaalsContact C-N 3.29Å; K81-L83 HydrophobicContact CB-CD1 4.43Å; K81-L83 HydrophobicContact CB-CG 4.07Å; K81-L83 PolarHBondContact O-N 3.1Å
84G75.6Confident74.1Confident55 Ų55131.9 Ų131.957%0.56769%0.69SS**  trans-54.2164.3169.200000111.4A86G84-A86 PolarHBondContact O-N 3.29Å
85P73.9Confident73.8Confident101 Ų101130.4 Ų130.466%0.65668%0.683SS**  trans-53.1115-174.121.2-32.5000111.3Y87P85-Y87 HydrophobicContact CB-CE2 3.91Å; P85-Y87 HydrophobicContact CG-CE2 4Å; P85-Y87 PolarHBondContact O-N 3.3Å
86A63.9Low73.5Confident98 Ų98131.8 Ų131.881%0.8169%0.689SS**  trans-87.897.5177.200000108.9G84 S88G84-A86 PolarHBondContact O-N 3.29Å; A86-S88 PolarHBondContact O-N 3.13Å
87Y69.5Low73Confident204 Ų204133.3 Ų133.380%0.870%0.703SS**  trans-76.2105.5172.1-58.5-80000109P85 I89P85-Y87 HydrophobicContact CB-CE2 3.91Å; P85-Y87 HydrophobicContact CG-CE2 4Å; P85-Y87 PolarHBondContact O-N 3.3Å; Y87-I89 PolarHBondContact O-N 2.82Å
88S68.1Low72.5Confident104 Ų104136.6 Ų136.673%0.72772%0.72SS**  trans-80.4113.3165.852.70000108.3A86 L90A86-S88 PolarHBondContact O-N 3.13Å; S88-L90 PolarHBondContact O-N 2.97Å
89I70.9Confident72.4Confident167 Ų167133 Ų13386%0.85672%0.717SS**  trans-71.287.4160.3-56.5171.8000104.8Y87 G91Y87-I89 PolarHBondContact O-N 2.82Å; I89-G91 PolarHBondContact O-N 3.39Å
90L69.9Low72.3Confident156 Ų156132.6 Ų132.682%0.81772%0.715SS**PPolyproline II helixtrans-57.3116.1173.5-16778.3000106.6S88S88-L90 PolarHBondContact O-N 2.97Å
91G71.1Confident72.4Confident58 Ų58134 Ų13460%0.59872%0.718SS**PPolyproline II helixtrans-54.2147.7174.800000110.1I89 Y93I89-G91 PolarHBondContact O-N 3.39Å; G91-Y93 PolarHBondContact O-N 3.25Å
92R68.9Low72.4Confident242 Ų242128 Ų12891%0.91370%0.699SS**PPolyproline II helixtrans-48.8136.2176.1-65.8-173.5-66.8-1380.4109.7H94R92-H94 PolarHBondContact O-N 3.37Å
93Y67.9Low72.6Confident211 Ų211129.4 Ų129.483%0.82771%0.714SS**  trans-50.8114.7178-172.4-97.2000109.2G91 S95G91-Y93 PolarHBondContact O-N 3.25Å; Y93-S95 PolarHBondContact O-N 3.35Å
94H66.1Low73Confident153 Ų153125.9 Ų125.971%0.70871%0.71SS**  trans-70.1104174.6-167.373.3000106.5R92 K96R92-H94 PolarHBondContact O-N 3.37Å; H94-K96 VanDerWaalsContact C-N 3.32Å; H94-K96 PolarHBondContact O-N 3.34Å
95S69.9Low73.4Confident88 Ų88128.2 Ų128.262%0.61571%0.71SS**  trans-60.4100.1170.155.50000107.1Y93 T97Y93-S95 PolarHBondContact O-N 3.35Å; S95-T97 PolarHBondContact O-N 3.4Å
96K70.6Confident73.9Confident169 Ų169129.6 Ų129.674%0.73570%0.703SS**  trans-62.3105.9172-64.7-178.4-178.4179.20106.3H94 L98H94-K96 VanDerWaalsContact C-N 3.32Å; H94-K96 PolarHBondContact O-N 3.34Å; K96-L98 PolarHBondContact O-N 2.77Å
97T69.8Low74.8Confident120 Ų120131.1 Ų131.174%0.73669%0.691SS**  trans-59106.9164.627.80000106.8S95 L99S95-T97 PolarHBondContact O-N 3.4Å; T97-L99 PolarHBondContact O-N 3.2Å
98L72.4Confident75.4Confident159 Ų159125.9 Ų125.983%0.83268%0.682SS**  trans-65.6101.6172.1-67.1173.5000106.4K96 T100K96-L98 PolarHBondContact O-N 2.77Å; L98-T100 PolarHBondContact O-N 3.31Å
99L76.2Confident76.3Confident163 Ų163129.4 Ų129.485%0.85369%0.687SS**  trans-67.4100.6170.6-69.9167.7000106.5T97T97-L99 PolarHBondContact O-N 3.2Å
100T79.3Confident76.8Confident114 Ų114128 Ų12870%0.69968%0.675SS**PPolyproline II helixtrans-67.5130.4169.342.10000108.2L98L98-T100 PolarHBondContact O-N 3.31Å
101P83.8Confident77.3Confident63 Ų63122.8 Ų122.841%0.40965%0.651SS.*PPolyproline II helixtrans-55.1145.817715.4-23.2000110.6D105 Y106P101-D105 HydrophobicContact CB-CB 3.67Å; P101-Y106 HydrophobicContact CB-CE2 4.43Å; P101-Y106 HydrophobicContact CG-CD1 4.29Å; P101-Y106 HydrophobicContact CG-CE1 3.74Å; P101-Y106 HydrophobicContact CG-CE2 4.33Å; P101-Y106 VanDerWaalsContact O-CE2 3.24Å; P101-Y106 WeakPolarHBondContact O-CE2 3.45Å; P101-Y106 PolarHBondContact O-OH 3.4Å; P101-Y106 VanDerWaalsContact O-OH 3.1Å
102G82.9Confident77.8Confident27 Ų27123.6 Ų123.628%0.27865%0.645SS.*PPolyproline II helixtrans-64.2163.1175.200000111G104 D105 Y106G102-G104 PolarHBondContact O-N 2.96Å; G102-D105 PolarHBondContact N-OD2 3.17Å; G102-D105 PolarHBondContact O-N 3Å; G102-Y106 WeakPolarHBondContact O-CD2 3.42Å; G102-Y106 WeakPolarHBondContact O-CE2 3.32Å
103P80.3Confident78.3Confident130 Ų130119.5 Ų119.584%0.84463%0.634SS**THydrogen-bonded Turntrans-57.1-23.5-17721.8-32.6000114.3
104G83Confident78.8Confident61 Ų61119.4 Ų119.463%0.62963%0.633SS**THydrogen-bonded Turntrans-92.8-7.5175.600000115.6G102G102-G104 PolarHBondContact O-N 2.96Å
105D84Confident79.8Confident105 Ų105116.7 Ų116.756%0.56163%0.627SS**THydrogen-bonded Turntrans-90.9-5.9-179.2-61.9-38.7000112.2P101 G102 F107P101-D105 HydrophobicContact CB-CB 3.67Å; G102-D105 PolarHBondContact N-OD2 3.17Å; G102-D105 PolarHBondContact O-N 3Å; D105-F107 WeakPolarHBondContact O-CD2 3.24Å; D105-F107 PolarHBondContact O-N 3.13Å
106Y83.1Confident80.6Confident129 Ų129119.1 Ų119.151%0.50663%0.627SS.*  trans-75.2119173.4-64.9-86000109.9P101 G102 P108P101-Y106 HydrophobicContact CB-CE2 4.43Å; P101-Y106 HydrophobicContact CG-CD1 4.29Å; P101-Y106 HydrophobicContact CG-CE1 3.74Å; P101-Y106 HydrophobicContact CG-CE2 4.33Å; P101-Y106 VanDerWaalsContact O-CE2 3.24Å; P101-Y106 WeakPolarHBondContact O-CE2 3.45Å; P101-Y106 PolarHBondContact O-OH 3.4Å; P101-Y106 VanDerWaalsContact O-OH 3.1Å; G102-Y106 WeakPolarHBondContact O-CD2 3.42Å; G102-Y106 WeakPolarHBondContact O-CE2 3.32Å; Y106-P108 VanDerWaalsContact C-CD 3.45Å; Y106-P108 WeakPolarHBondContact O-CD 3.44Å
107F83.9Confident81.3Confident131 Ų131119.7 Ų119.758%0.57564%0.638SS**  trans-109.377.8170.8-63.6-77.8000110.1D105 E109 K110D105-F107 WeakPolarHBondContact O-CD2 3.24Å; D105-F107 PolarHBondContact O-N 3.13Å; F107-E109 PolarHBondContact O-N 3.15Å; F107-K110 HydrophobicContact CB-CB 4.34Å; F107-K110 HydrophobicContact CB-CD 3.96Å; F107-K110 HydrophobicContact CB-CG 4.22Å; F107-K110 HydrophobicContact CG-CD 4.4Å; F107-K110 PolarHBondContact O-N 3.19Å
108P82.2Confident81.9Confident93 Ų93117.7 Ų117.760%0.60463%0.629SS**G310 helixtrans-61.7-27.1-176.326.2-35.1000112.4Y106 K110 S111Y106-P108 VanDerWaalsContact C-CD 3.45Å; Y106-P108 WeakPolarHBondContact O-CD 3.44Å; P108-K110 PolarHBondContact O-N 3.16Å; P108-S111 WeakPolarHBondContact O-CB 3.35Å; P108-S111 PolarHBondContact O-N 3Å; P108-S111 PolarHBondContact O-OG 3.45Å
109E85.1Confident82.6Confident178 Ų178114.3 Ų114.383%0.83262%0.624SS**G310 helixtrans-62.5-26.8176.1-59.4-177.6-178.200113.1F107 S111F107-E109 PolarHBondContact O-N 3.15Å; E109-S111 VanDerWaalsContact C-N 3.34Å
110K81.8Confident83Confident137 Ų137111.5 Ų111.560%0.59662%0.616SS**G310 helixtrans-90.7-0.9177.8-61.2177.5-175.11680112.5F107 P108 T112F107-K110 HydrophobicContact CB-CB 4.34Å; F107-K110 HydrophobicContact CB-CD 3.96Å; F107-K110 HydrophobicContact CB-CG 4.22Å; F107-K110 HydrophobicContact CG-CD 4.4Å; F107-K110 PolarHBondContact O-N 3.19Å; P108-K110 PolarHBondContact O-N 3.16Å; K110-T112 VanDerWaalsContact C-N 3.28Å; K110-T112 PolarHBondContact O-N 2.93Å
111S81.1Confident83.1Confident47 Ų47111.6 Ų111.633%0.32962%0.621SS.*THydrogen-bonded Turntrans-74.4-17.9-175.573.20000113.5P108 E109 K113 Y114 V115P108-S111 WeakPolarHBondContact O-CB 3.35Å; P108-S111 PolarHBondContact O-N 3Å; P108-S111 PolarHBondContact O-OG 3.45Å; E109-S111 VanDerWaalsContact C-N 3.34Å; S111-K113 PolarHBondContact O-N 3.24Å; S111-K113 VanDerWaalsContact O-N 3.11Å; S111-Y114 WeakPolarHBondContact O-CA 3.39Å; S111-Y114 WeakPolarHBondContact O-CB 3.29Å; S111-Y114 PolarHBondContact O-N 3.45Å; S111-V115 WeakPolarHBondContact O-CG2 3.38Å; S111-V115 PolarHBondContact O-N 3.35Å
112T81.7Confident83.1Confident76 Ų76116.5 Ų116.547%0.46664%0.638SS.*Hα-helixtrans-53.1-36.5-177.2530000113.6K110 Y114 V115 F116K110-T112 VanDerWaalsContact C-N 3.28Å; K110-T112 PolarHBondContact O-N 2.93Å; T112-Y114 VanDerWaalsContact C-N 3.25Å; T112-Y114 PolarHBondContact O-N 2.88Å; T112-V115 PolarHBondContact O-N 3.05Å; T112-F116 PolarHBondContact O-N 2.99Å; T112-F116 VanDerWaalsContact O-N 3.1Å
113K78.8Confident83Confident156 Ų156120.4 Ų120.468%0.67866%0.662SS**Hα-helixtrans-69-19.5177.2-59.2-174.3-179.9-176.20114.4S111S111-K113 PolarHBondContact O-N 3.24Å; S111-K113 VanDerWaalsContact O-N 3.11Å
114Y79.8Confident83Confident208 Ų208122.2 Ų122.282%0.81666%0.662SS**Hα-helixtrans-102.5-24.1180-59.3-78000112.3S111 T112S111-Y114 WeakPolarHBondContact O-CA 3.39Å; S111-Y114 WeakPolarHBondContact O-CB 3.29Å; S111-Y114 PolarHBondContact O-N 3.45Å; T112-Y114 VanDerWaalsContact C-N 3.25Å; T112-Y114 PolarHBondContact O-N 2.88Å
115V86.4Confident82.7Confident96 Ų96124 Ų12458%0.58267%0.665SS**Hα-helixtrans-86-34.5179.6176.70000111.8S111 T112S111-V115 WeakPolarHBondContact O-CG2 3.38Å; S111-V115 PolarHBondContact O-N 3.35Å; T112-V115 PolarHBondContact O-N 3.05Å
116F87.1Confident82.3Confident139 Ų139123.2 Ų123.261%0.6167%0.674SS**SBendtrans-119.8145.4-178.3-55.8-72.5000111T112 S118T112-F116 PolarHBondContact O-N 2.99Å; T112-F116 VanDerWaalsContact O-N 3.1Å; F116-S118 PolarHBondContact O-N 3.14Å
117D84.9Confident81.9Confident181 Ų181128.8 Ų128.897%0.96869%0.694SS**  trans-60.5126.1172.7-78.1-29.1000109.9
118S82.1Confident81.2Confident78 Ų78128.2 Ų128.255%0.54570%0.701SS.*  trans-125.9145.9177.659.80000110F116F116-S118 PolarHBondContact O-N 3.14Å
119A86.8Confident80.7Confident88 Ų88132.1 Ų132.173%0.72771%0.709SS**  trans-60.6143.7176.300000110.4S121A119-S121 PolarHBondContact O-N 2.77Å
120P84.4Confident79.9Confident104 Ų104130.2 Ų130.268%0.67571%0.709SS**  trans-59128-179.323.3-32.9000111.1
121S82.8Confident79.2Confident117 Ų117130.1 Ų130.182%0.81871%0.709SS**  trans-94.1109.5174.7-175.40000109.5A119A119-S121 PolarHBondContact O-N 2.77Å
122H83.3Confident78.5Confident165 Ų165138.1 Ų138.176%0.76473%0.732SS**PPolyproline II helixtrans-91.6116.3175.1-61-69.7000109.7
123S81Confident77.9Confident110 Ų110138.9 Ų138.977%0.76974%0.736SS**PPolyproline II helixtrans-96130.5165.359.70000109.2S125S123-S125 PolarHBondContact O-N 2.65Å
124I80Confident77.5Confident167 Ų167136.4 Ų136.486%0.85673%0.73SS**PPolyproline II helixtrans-74.6118.1167.1-60.1171.7000105.4A126I124-A126 PolarHBondContact O-N 3.27Å
125S76.7Confident77.1Confident98 Ų98132.2 Ų132.269%0.68573%0.731SS**PPolyproline II helixtrans-51.8140.5178.262.80000110.3S123 R127S123-S125 PolarHBondContact O-N 2.65Å; S125-R127 PolarHBondContact O-N 2.96Å
126A76.4Confident76.5Confident90 Ų90132.5 Ų132.574%0.74473%0.734SS**PPolyproline II helixtrans-49.4140173.900000110.4I124 T128I124-A126 PolarHBondContact O-N 3.27Å; A126-T128 PolarHBondContact O-N 3.4Å; A126-T128 VanDerWaalsContact O-N 3.1Å
127R74.8Confident76.2Confident245 Ų245128.8 Ų128.893%0.92572%0.724SS**PPolyproline II helixtrans-53.5122.5179.3-71-177.4-144.4-119.90.4109S125 K129S125-R127 PolarHBondContact O-N 2.96Å; R127-K129 PolarHBondContact O-N 3.01Å
128T69.1Low76Confident119 Ų119122 Ų12273%0.7370%0.696SS**PPolyproline II helixtrans-57.8131.5167.444.60000107.6A126 T130A126-T128 PolarHBondContact O-N 3.4Å; A126-T128 VanDerWaalsContact O-N 3.1Å; T128-T130 PolarHBondContact O-N 3.37Å
129K70.1Confident75.6Confident176 Ų176124.3 Ų124.377%0.76571%0.709SS**  trans-57.2113173.3-72.4-178.4178.6-179.70106.9R127 F131R127-K129 PolarHBondContact O-N 3.01Å; K129-F131 PolarHBondContact O-N 3.08Å
130T68.8Low75.1Confident137 Ų137124.9 Ų124.984%0.8471%0.714SS**SBendtrans-72.5-11.1-173.547.80000113.1T128T128-T130 PolarHBondContact O-N 3.37Å
131F66.8Low74.8Confident136 Ų136122.7 Ų122.760%0.59670%0.704SS**SBendtrans-121.6138.8-179.967.4-80.6000110.6K129 V133K129-F131 PolarHBondContact O-N 3.08Å; F131-V133 HydrophobicContact CD2-CG2 4.16Å; F131-V133 HydrophobicContact CE2-CG2 3.64Å; F131-V133 HydrophobicContact CZ-CG2 4.25Å; F131-V133 PolarHBondContact O-N 3.25Å
132R67.4Low74.5Confident215 Ų215124.6 Ų124.681%0.81170%0.695SS**  trans-61.8121.2163.9-78.5-175.4173.4167.9-1.4107.3D134R132-D134 PolarHBondContact O-N 3.19Å
133V67.9Low73.8Confident91 Ų91124 Ų12455%0.55270%0.695SS**  trans-76.777.2159.1-173.40000104.9F131 S135F131-V133 HydrophobicContact CD2-CG2 4.16Å; F131-V133 HydrophobicContact CE2-CG2 3.64Å; F131-V133 HydrophobicContact CZ-CG2 4.25Å; F131-V133 PolarHBondContact O-N 3.25Å; V133-S135 PolarHBondContact O-N 2.98Å
134D70.1Confident73.1Confident104 Ų104126 Ų12656%0.55670%0.696SS**  trans-57.2117.2166.9-69.8-28.6000105.1R132 T136R132-D134 PolarHBondContact O-N 3.19Å; D134-T136 HydrophobicContact CB-CG2 4.18Å; D134-T136 PolarHBondContact O-N 2.85Å; D134-T136 PolarHBondContact O-OG1 3.37Å
135S71.6Confident72.3Confident120 Ų120123.2 Ų123.284%0.83969%0.688SS**  trans-69.769.6176.4-70.40000108.2V133V133-S135 PolarHBondContact O-N 2.98Å
136T74.9Confident71.5Confident103 Ų103125.4 Ų125.463%0.63269%0.689SS**PPolyproline II helixtrans-76.8124.1171.847.60000106.4D134 G138D134-T136 HydrophobicContact CB-CG2 4.18Å; D134-T136 PolarHBondContact O-N 2.85Å; D134-T136 PolarHBondContact O-OG1 3.37Å; T136-G138 PolarHBondContact O-N 3Å
137P80.6Confident70.5Confident61 Ų61126.9 Ų126.940%0.39669%0.689SS.*PPolyproline II helixtrans-55.5134.4172.721.1-28.7000108.1A141 Y142P137-A141 HydrophobicContact CB-CB 3.46Å; P137-A141 VanDerWaalsContact CB-CB 3.46Å; P137-Y142 HydrophobicContact CG-CD1 4.46Å; P137-Y142 HydrophobicContact CG-CE1 3.98Å; P137-Y142 HydrophobicContact CG-CE2 4.35Å; P137-Y142 WeakPolarHBondContact O-CE2 3.38Å
138G81.3Confident69.6Low38 Ų38121.3 Ų121.339%0.39268%0.675SS.*PPolyproline II helixtrans-56.1164.9173.400000111.2T136 A140 A141T136-G138 PolarHBondContact O-N 3Å; G138-A140 PolarHBondContact O-N 2.87Å; G138-A141 WeakPolarHBondContact O-CB 3.32Å; G138-A141 PolarHBondContact O-N 3.11Å
139P73.9Confident69.1Low127 Ų127116.7 Ų116.783%0.82565%0.651SS**THydrogen-bonded Turntrans-55.6-28-17520.3-32.2000113.9
140A75.8Confident68.5Low100 Ų100113.7 Ų113.783%0.82665%0.649SS**THydrogen-bonded Turntrans-87.9-6.3175.800000114.8G138G138-A140 PolarHBondContact O-N 2.87Å
141A77.7Confident67.8Low57 Ų57114.3 Ų114.347%0.47165%0.647SS.*THydrogen-bonded Turntrans-91.2-4.8179.500000113.1P137 G138 M143P137-A141 HydrophobicContact CB-CB 3.46Å; P137-A141 VanDerWaalsContact CB-CB 3.46Å; G138-A141 WeakPolarHBondContact O-CB 3.32Å; G138-A141 PolarHBondContact O-N 3.11Å; A141-M143 VanDerWaalsContact C-N 3.33Å; A141-M143 PolarHBondContact O-N 2.93Å
142Y75.6Confident67.4Low157 Ų157109.4 Ų109.462%0.61663%0.629SS**  trans-73.289.5166.2-64.5-84000109.6P137 L144P137-Y142 HydrophobicContact CG-CD1 4.46Å; P137-Y142 HydrophobicContact CG-CE1 3.98Å; P137-Y142 HydrophobicContact CG-CE2 4.35Å; P137-Y142 WeakPolarHBondContact O-CE2 3.38Å; Y142-L144 PolarHBondContact O-N 3.21Å
143M70Confident67.2Low154 Ų154106.9 Ų106.976%0.75964%0.637SS**PPolyproline II helixtrans-71.9117.8165.8-74.1-77.2-51.800108.5A141A141-M143 VanDerWaalsContact C-N 3.33Å; A141-M143 PolarHBondContact O-N 2.93Å
144L66.8Low67.1Low152 Ų152106.2 Ų106.280%0.79665%0.648SS**PPolyproline II helixtrans-60.7135.6163.9-69.9166.9000107.9Y142 M146Y142-L144 PolarHBondContact O-N 3.21Å; L144-M146 PolarHBondContact O-N 3.21Å; L144-M146 VanDerWaalsContact O-N 3.16Å
145P62.1Low66.8Low108 Ų108109.5 Ų109.570%0.70166%0.658SS**PPolyproline II helixtrans-55.5127.2173.621.2-29.7000108.5V147P145-V147 PolarHBondContact O-N 3.01Å; P145-V147 VanDerWaalsContact O-N 3.08Å
146M59.1Low66.2Low143 Ų143110.9 Ų110.970%0.70466%0.661SS**PPolyproline II helixtrans-51.8118.3-176.6-70.3-110.1-69.600109.7L144 M148L144-M146 PolarHBondContact O-N 3.21Å; L144-M146 VanDerWaalsContact O-N 3.16Å; M146-M148 PolarHBondContact O-N 3.22Å
147V56.7Low65.5Low121 Ų121107.7 Ų107.773%0.73364%0.643SS**SBendtrans-80.138.5174.8-165.20000110.1P145 T152P145-V147 PolarHBondContact O-N 3.01Å; P145-V147 VanDerWaalsContact O-N 3.08Å; V147-T152 HydrophobicContact CG1-CG2 4.33Å
148M56.5Low64.2Low129 Ų129113 Ų11364%0.63566%0.662SS**SBendtrans-137.5111173.9-112.9-163.9-169.900106.9M146 S160M146-M148 PolarHBondContact O-N 3.22Å; M148-S160 PolarHBondContact SD-OG 3.09Å
149G58.3Low63.3Low22 Ų22115.9 Ų115.923%0.22767%0.674CS.*SBendtrans130.9161.6-178.200000112.7N151 S157G149-N151 PolarHBondContact O-N 2.98Å; G149-S157 WeakPolarHBondContact O-CB 3.38Å; G149-S157 PolarHBondContact O-OG 2.95Å
150P56.2Low62.6Low112 Ų112112.4 Ų112.473%0.72765%0.653SS**SBendtrans-69-6.3-163.225-34.4000116.3
151N53.8Low61.9Low150 Ų150116.5 Ų116.580%0.80265%0.652SS**  trans-131.566.7-167.8-66.3-24.3000112.7G149G149-N151 PolarHBondContact O-N 2.98Å
152T58.5Low61.3Low34 Ų34118.3 Ų118.321%0.20966%0.662CS.*  trans-96.2131.5166.149.30000110.6V147 G154 K155V147-T152 HydrophobicContact CG1-CG2 4.33Å; T152-G154 PolarHBondContact O-N 3.42Å; T152-G154 VanDerWaalsContact O-N 3.1Å; T152-K155 PolarHBondContact OG1-O 2.79Å; T152-K155 VanDerWaalsContact OG1-O 3.09Å
153V63.2Low60.9Low161 Ų161119 Ų11998%0.97667%0.674SS**THydrogen-bonded Turntrans-70108.7178.6-178.80000108.5
154G66.4Low60.4Low77 Ų77120.8 Ų120.879%0.79468%0.678SS**THydrogen-bonded Turntrans102.31.216800000117.5T152T152-G154 PolarHBondContact O-N 3.42Å; T152-G154 VanDerWaalsContact O-N 3.1Å
155K63.5Low60.3Low174 Ų174116.5 Ų116.576%0.75767%0.67SS**SBendtrans-144.8149.2172.1-65.5-172.4-179.5-175.40111.3T152 S157T152-K155 PolarHBondContact OG1-O 2.79Å; T152-K155 VanDerWaalsContact OG1-O 3.09Å; K155-S157 PolarHBondContact O-N 2.79Å
156V59.2Low60.2Low148 Ų148123.1 Ų123.190%0.89768%0.681SS**PPolyproline II helixtrans-73.3121.9171.9-174.80000108.4
157S59.7Low60.2Low36 Ų36120.1 Ų120.125%0.25267%0.674SS.*PPolyproline II helixtrans-73.7136.4179.265.30000111.5G149 K155G149-S157 WeakPolarHBondContact O-CB 3.38Å; G149-S157 PolarHBondContact O-OG 2.95Å; K155-S157 PolarHBondContact O-N 2.79Å
158Q55Low60.3Low172 Ų172122.9 Ų122.980%0.80468%0.676SS**PPolyproline II helixtrans-65.8148.5167.5-72.5-173.8-25.200110.8S160Q158-S160 PolarHBondContact O-N 2.86Å; Q158-S160 VanDerWaalsContact O-N 3.13Å
159P62Low60.4Low100 Ų100124.3 Ų124.365%0.64969%0.685SS**PPolyproline II helixtrans-60.6117.1178.923.2-31.7000110.7F161P159-F161 HydrophobicContact CB-CE2 3.89Å; P159-F161 HydrophobicContact CB-CZ 4.02Å; P159-F161 HydrophobicContact CG-CE2 4.07Å; P159-F161 HydrophobicContact CG-CZ 4.42Å
160S57.7Low60.5Low53 Ų53124.6 Ų124.637%0.37169%0.688SS.*  trans-91.6100173.6-178.60000108.7M148 Q158 S162M148-S160 PolarHBondContact SD-OG 3.09Å; Q158-S160 PolarHBondContact O-N 2.86Å; Q158-S160 VanDerWaalsContact O-N 3.13Å; S160-S162 PolarHBondContact O-N 3Å
161F62.7Low60.7Low187 Ų187122.7 Ų122.782%0.8268%0.678SS**  trans-79103.2170.9-60.5-77.9000108.3P159P159-F161 HydrophobicContact CB-CE2 3.89Å; P159-F161 HydrophobicContact CB-CZ 4.02Å; P159-F161 HydrophobicContact CG-CE2 4.07Å; P159-F161 HydrophobicContact CG-CZ 4.42Å
162S64.3Low61.1Low95 Ų95121.1 Ų121.166%0.66466%0.664SS**  trans-93.3124.5165.3550000108.4S160 K164S160-S162 PolarHBondContact O-N 3Å; S162-K164 VanDerWaalsContact C-N 3.31Å; S162-K164 PolarHBondContact O-N 3.46Å
163I67.6Low61.4Low170 Ų170123.8 Ų123.887%0.87268%0.684SS**  trans-67.9101.5158.5-61.3170000104G165I163-G165 PolarHBondContact O-N 3.14Å
164K59.2Low61.6Low193 Ų193121.9 Ų121.984%0.83967%0.669SS**  trans-52.7109169.9-105-178.4174.4178.80106.5S162S162-K164 VanDerWaalsContact C-N 3.31Å; S162-K164 PolarHBondContact O-N 3.46Å
165G65.4Low61.7Low61 Ų61119.7 Ų119.763%0.62964%0.639SS**  trans-52.3146.9167.200000108.9I163 S167I163-G165 PolarHBondContact O-N 3.14Å; G165-S167 PolarHBondContact O-N 3.13Å; G165-S167 VanDerWaalsContact O-N 3.11Å
166R58.9Low61.8Low247 Ų247118.5 Ų118.593%0.93264%0.64SS**  trans-36118.9-178.6-71.3-174.9-83.7-139.1-1.5110.3K168R166-K168 PolarHBondContact O-N 3.26Å
167S59.8Low62.1Low81 Ų81118.1 Ų118.157%0.56663%0.628SS**  trans-57.2131.1-177.655.70000109.7G165 L169G165-S167 PolarHBondContact O-N 3.13Å; G165-S167 VanDerWaalsContact O-N 3.11Å; S167-L169 PolarHBondContact O-N 3.28Å
168K58.5Low62.6Low178 Ų178120 Ų12077%0.77463%0.632SS**SBendtrans-66.77.7168.2-66.6-173.9178.7-175.60113.6R166 G170 K178R166-K168 PolarHBondContact O-N 3.26Å; K168-G170 PolarHBondContact O-N 3.1Å; K168-G170 VanDerWaalsContact O-N 3.08Å; K168-K178 PolarHBondContact O-NZ 3.01Å
169L58.8Low63.5Low159 Ų159114.3 Ų114.383%0.83261%0.609SS**  trans-78.454.2164.9-72.2158.2000108.9S167S167-L169 PolarHBondContact O-N 3.28Å
170G60.1Low64.3Low28 Ų28111.9 Ų111.929%0.28959%0.592SS.*  trans-86.8151.1163.500000108.8K168K168-G170 PolarHBondContact O-N 3.1Å; K168-G170 VanDerWaalsContact O-N 3.08Å
171S61.3Low65.3Low73 Ų73111.1 Ų111.151%0.5159%0.593SS.*  trans-55.4157.5166.1174.60000109.1S173 D174S171-S173 VanDerWaalsContact CB-OG 3.29Å; S171-S173 WeakPolarHBondContact CB-OG 2.81Å; S171-S173 PolarHBondContact O-N 3.05Å; S171-S173 PolarHBondContact OG-OG 2.87Å; S171-D174 PolarHBondContact N-OD2 3.31Å; S171-D174 PolarHBondContact O-N 3.11Å
172F61.1Low65.9Low117 Ų117108.2 Ų108.251%0.51359%0.593SS.*THydrogen-bonded Turntrans-55.8-21.8176-154.9-102000112.4K178 T179F172-K178 HydrophobicContact CD2-CB 3.86Å; F172-K178 WeakPolarHBondContact CE1-O 3.49Å; F172-K178 HydrophobicContact CE2-CB 3.72Å; F172-K178 VanDerWaalsContact CE2-O 3.29Å; F172-K178 WeakPolarHBondContact CE2-O 3.25Å; F172-K178 VanDerWaalsContact CZ-C 3.48Å; F172-K178 HydrophobicContact CZ-CB 4.3Å; F172-K178 WeakPolarHBondContact CZ-O 3.44Å; F172-T179 HydrophobicContact CD1-CG2 3.77Å; F172-T179 HydrophobicContact CE1-CG2 3.93Å; F172-T179 WeakPolarHBondContact O-CG2 3.29Å
173S63.9Low66.6Low89 Ų89108.8 Ų108.862%0.62260%0.603SS**THydrogen-bonded Turntrans-72.9-27.5172.653.80000114.9S171 D175S171-S173 VanDerWaalsContact CB-OG 3.29Å; S171-S173 WeakPolarHBondContact CB-OG 2.81Å; S171-S173 PolarHBondContact O-N 3.05Å; S171-S173 PolarHBondContact OG-OG 2.87Å; S173-D175 VanDerWaalsContact C-N 3.35Å
174D67.6Low67.2Low122 Ų122103.3 Ų103.365%0.65258%0.584SS**THydrogen-bonded Turntrans-85-15.6-177.9-65.4-37.3000112.2S171S171-D174 PolarHBondContact N-OD2 3.31Å; S171-D174 PolarHBondContact O-N 3.11Å
175D69.4Low68.2Low31 Ų31101.5 Ų101.517%0.16657%0.573CS.*  trans-123.183-168.3-1544.8000111.6S173 H177 K178S173-D175 VanDerWaalsContact C-N 3.35Å; D175-H177 VanDerWaalsContact CG-ND1 3.25Å; D175-H177 PolarHBondContact O-N 3.5Å; D175-H177 IonicContact OD1-CE1 2.87Å; D175-H177 PolarHBondContact OD1-CE1 2.86Å; D175-H177 IonicContact OD1-CG 3.72Å; D175-H177 IonicContact OD1-ND1 2.59Å; D175-H177 PolarHBondContact OD1-ND1 2.71Å; D175-H177 IonicContact OD2-CE1 2.86Å; D175-H177 PolarHBondContact OD2-CE1 2.87Å; D175-H177 IonicContact OD2-ND1 3.5Å; D175-H177 PolarHBondContact OD2-ND1 2.59Å; D175-H177 IonicContact OD2-NE2 3.6Å; D175-K178 HydrophobicContact CB-CB 4.46Å; D175-K178 HydrophobicContact CB-CD 4.05Å; D175-K178 HydrophobicContact CB-CG 4.19Å; D175-K178 WeakPolarHBondContact O-CB 3.04Å; D175-K178 PolarHBondContact O-N 2.99Å; D175-K178 WeakPolarHBondContact OD2-CD 3.05Å; D175-K178 WeakPolarHBondContact OD2-CE 3.38Å; D175-K178 IonicContact OD2-NZ 2.71Å; D175-K178 PolarHBondContact OD2-NZ 2.85Å
176L64.7Low68.9Low149 Ų149107.2 Ų107.278%0.7858%0.583SS**THydrogen-bonded Turntrans-56.2-19.8-174.9-73.9154000114.5K178 T179L176-K178 VanDerWaalsContact C-N 3.33Å; L176-T179 PolarHBondContact O-OG1 2.85Å
177H66.9Low69.9Low139 Ų139104.6 Ų104.664%0.64458%0.581SS**THydrogen-bonded Turntrans-79.5-16.9174.978.9-98.2000113.4D175D175-H177 VanDerWaalsContact CG-ND1 3.25Å; D175-H177 PolarHBondContact O-N 3.5Å; D175-H177 IonicContact OD1-CE1 2.87Å; D175-H177 PolarHBondContact OD1-CE1 2.86Å; D175-H177 IonicContact OD1-CG 3.72Å; D175-H177 IonicContact OD1-ND1 2.59Å; D175-H177 PolarHBondContact OD1-ND1 2.71Å; D175-H177 IonicContact OD2-CE1 2.86Å; D175-H177 PolarHBondContact OD2-CE1 2.87Å; D175-H177 IonicContact OD2-ND1 3.5Å; D175-H177 PolarHBondContact OD2-ND1 2.59Å; D175-H177 IonicContact OD2-NE2 3.6Å
178K69.4Low70.9Confident77 Ų77106 Ų10634%0.33559%0.587SS.*THydrogen-bonded Turntrans-88.4-26176.8-65.4-175.6179.11370111.5K168 F172 D175 L176 P180K168-K178 PolarHBondContact O-NZ 3.01Å; F172-K178 HydrophobicContact CD2-CB 3.86Å; F172-K178 WeakPolarHBondContact CE1-O 3.49Å; F172-K178 HydrophobicContact CE2-CB 3.72Å; F172-K178 VanDerWaalsContact CE2-O 3.29Å; F172-K178 WeakPolarHBondContact CE2-O 3.25Å; F172-K178 VanDerWaalsContact CZ-C 3.48Å; F172-K178 HydrophobicContact CZ-CB 4.3Å; F172-K178 WeakPolarHBondContact CZ-O 3.44Å; D175-K178 HydrophobicContact CB-CB 4.46Å; D175-K178 HydrophobicContact CB-CD 4.05Å; D175-K178 HydrophobicContact CB-CG 4.19Å; D175-K178 WeakPolarHBondContact O-CB 3.04Å; D175-K178 PolarHBondContact O-N 2.99Å; D175-K178 WeakPolarHBondContact OD2-CD 3.05Å; D175-K178 WeakPolarHBondContact OD2-CE 3.38Å; D175-K178 IonicContact OD2-NZ 2.71Å; D175-K178 PolarHBondContact OD2-NZ 2.85Å; L176-K178 VanDerWaalsContact C-N 3.33Å; K178-P180 WeakPolarHBondContact O-CD 3.43Å
179T74.5Confident72Confident52 Ų52101.8 Ų101.832%0.31957%0.573SS.*SBendtrans-65.4119.717551.80000110.4F172 L176 G181F172-T179 HydrophobicContact CD1-CG2 3.77Å; F172-T179 HydrophobicContact CE1-CG2 3.93Å; F172-T179 WeakPolarHBondContact O-CG2 3.29Å; L176-T179 PolarHBondContact O-OG1 2.85Å; T179-G181 PolarHBondContact O-N 3.26Å
180P79.3Confident73.1Confident48 Ų4897.7 Ų97.731%0.31255%0.554SS.*PPolyproline II helixtrans-59.5129.9176.424.6-30.8000108K178 A184 Y185K178-P180 WeakPolarHBondContact O-CD 3.43Å; P180-A184 HydrophobicContact CB-CB 3.65Å; P180-Y185 HydrophobicContact CG-CE1 4.01Å; P180-Y185 HydrophobicContact CG-CE2 4.46Å
181G78Confident74Confident38 Ų38100.1 Ų100.139%0.39256%0.558SS.*PPolyproline II helixtrans-59.4163.9174.100000111.1T179 A183 A184 Y185T179-G181 PolarHBondContact O-N 3.26Å; G181-A183 PolarHBondContact O-N 3.4Å; G181-A184 WeakPolarHBondContact O-CB 3.47Å; G181-A184 PolarHBondContact O-N 3Å; G181-Y185 WeakPolarHBondContact O-CD2 3.41Å
182P75.6Confident74.9Confident126 Ų126102.2 Ų102.282%0.81857%0.567SS**G310 helixtrans-55.6-26.6-178.320-31.4000113.7
183A77.6Confident75.8Confident106 Ų106102 Ų10288%0.87658%0.576SS**G310 helixtrans-83.9-8.1176.100000114.9G181G181-A183 PolarHBondContact O-N 3.4Å
184A80.3Confident76.8Confident56 Ų56104.5 Ų104.546%0.46358%0.575SS.*G310 helixtrans-93.3-6.9-179.100000113.1P180 G181 H186P180-A184 HydrophobicContact CB-CB 3.65Å; G181-A184 WeakPolarHBondContact O-CB 3.47Å; G181-A184 PolarHBondContact O-N 3Å; A184-H186 PolarHBondContact O-N 2.83Å
185Y80.3Confident77.6Confident155 Ų155108.7 Ų108.761%0.60859%0.588SS**SBendtrans-73.8120.1170.6-63.4-82.6000109.5P180 G181P180-Y185 HydrophobicContact CG-CE1 4.01Å; P180-Y185 HydrophobicContact CG-CE2 4.46Å; G181-Y185 WeakPolarHBondContact O-CD2 3.41Å
186H81.2Confident78.2Confident180 Ų180112 Ų11283%0.83360%0.601SS**PPolyproline II helixtrans-67.8142.4170.7-67.8-62.9000110.2A184 T188A184-H186 PolarHBondContact O-N 2.83Å; H186-T188 PolarHBondContact O-N 2.91Å
187Q79.6Confident79.3Confident192 Ų192108.5 Ų108.590%0.89759%0.594SS**PPolyproline II helixtrans-62.7121171-67.4178.3-3.100108.6
188T81.4Confident80.1Confident112 Ų112106.2 Ų106.269%0.68759%0.591SS**PPolyproline II helixtrans-66.2140.4172.751.90000109.6H186 V190H186-T188 PolarHBondContact O-N 2.91Å; T188-V190 PolarHBondContact O-N 3.11Å
189D81.1Confident80.8Confident89 Ų89109.2 Ų109.248%0.47661%0.606SS.*PPolyproline II helixtrans-56.2125.4173-177.25.3000109.7Q191 V192D189-Q191 PolarHBondContact O-N 3.37Å; D189-Q191 VanDerWaalsContact O-N 3.13Å; D189-Q191 WeakPolarHBondContact OD1-CG 3.48Å; D189-Q191 PolarHBondContact OD1-N 3.32Å; D189-Q191 VanDerWaalsContact OD1-N 3.16Å; D189-V192 HydrophobicContact CB-CG2 4.21Å; D189-V192 VanDerWaalsContact O-CB 3.32Å; D189-V192 WeakPolarHBondContact O-CB 3.45Å; D189-V192 WeakPolarHBondContact O-CG2 3.14Å; D189-V192 PolarHBondContact O-N 2.9Å
190V81.3Confident81.3Confident73 Ų73116.4 Ų116.444%0.44263%0.629SS.*G310 helixtrans-60-27.1-177.5-177.30000110.9T188 V192 T193 K194T188-V190 PolarHBondContact O-N 3.11Å; V190-V192 PolarHBondContact O-N 3.01Å; V190-T193 PolarHBondContact O-N 3.05Å; V190-T193 VanDerWaalsContact O-N 3.15Å; V190-T193 PolarHBondContact O-OG1 2.97Å; V190-K194 HydrophobicContact CG1-CB 4.47Å; V190-K194 HydrophobicContact CG1-CD 3.56Å; V190-K194 HydrophobicContact CG1-CG 3.9Å; V190-K194 PolarHBondContact O-N 2.97Å
191Q78.4Confident81.4Confident79 Ų79118 Ų11837%0.36964%0.638SS.*G310 helixtrans-70-6.6178-54.8-58.8-32.100114D189 K196D189-Q191 PolarHBondContact O-N 3.37Å; D189-Q191 VanDerWaalsContact O-N 3.13Å; D189-Q191 WeakPolarHBondContact OD1-CG 3.48Å; D189-Q191 PolarHBondContact OD1-N 3.32Å; D189-Q191 VanDerWaalsContact OD1-N 3.16Å; Q191-K196 HydrophobicContact CB-CB 4.09Å; Q191-K196 HydrophobicContact CB-CD 3.8Å; Q191-K196 HydrophobicContact CB-CG 3.91Å; Q191-K196 HydrophobicContact CG-CD 4.29Å; Q191-K196 HydrophobicContact CG-CG 4.11Å; Q191-K196 VanDerWaalsContact OE1-CA 3.31Å
192V80.9Confident81.8Confident117 Ų117125.7 Ų125.771%0.70967%0.666SS**G310 helixtrans-77.6-32.2171.3177.30000111.2D189 V190D189-V192 HydrophobicContact CB-CG2 4.21Å; D189-V192 VanDerWaalsContact O-CB 3.32Å; D189-V192 WeakPolarHBondContact O-CB 3.45Å; D189-V192 WeakPolarHBondContact O-CG2 3.14Å; D189-V192 PolarHBondContact O-N 2.9Å; V190-V192 PolarHBondContact O-N 3.01Å
193T80.1Confident82.1Confident112 Ų112122.8 Ų122.869%0.68765%0.653SS**THydrogen-bonded Turntrans-105-26.7-176.4570000112.9V190V190-T193 PolarHBondContact O-N 3.05Å; V190-T193 VanDerWaalsContact O-N 3.15Å; V190-T193 PolarHBondContact O-OG1 2.97Å
194K85.1Confident82.2Confident141 Ų141122 Ų12261%0.61365%0.646SS**SBendtrans-102157.7177.9-59.6-168.3-172.61770111V190 K196V190-K194 HydrophobicContact CG1-CB 4.47Å; V190-K194 HydrophobicContact CG1-CD 3.56Å; V190-K194 HydrophobicContact CG1-CG 3.9Å; V190-K194 PolarHBondContact O-N 2.97Å; K194-K196 PolarHBondContact O-N 3.08Å; K194-K196 VanDerWaalsContact O-N 3.13Å
195F83.3Confident82Confident211 Ų211128.8 Ų128.893%0.92566%0.66SS**PPolyproline II helixtrans-57.8117.5172.5-81.7-81.4000110.8
196K83.9Confident81.9Confident99 Ų99127.1 Ų127.143%0.4367%0.666SS.*PPolyproline II helixtrans-92.5138.1174.3-167-178.3-167.1170.40110.1Q191 K194Q191-K196 HydrophobicContact CB-CB 4.09Å; Q191-K196 HydrophobicContact CB-CD 3.8Å; Q191-K196 HydrophobicContact CB-CG 3.91Å; Q191-K196 HydrophobicContact CG-CD 4.29Å; Q191-K196 HydrophobicContact CG-CG 4.11Å; Q191-K196 VanDerWaalsContact OE1-CA 3.31Å; K194-K196 PolarHBondContact O-N 3.08Å; K194-K196 VanDerWaalsContact O-N 3.13Å
197A86.1Confident81.7Confident76 Ų76124.9 Ų124.963%0.62866%0.656SS**PPolyproline II helixtrans-61.8146.6171.200000111.1Q199A197-Q199 PolarHBondContact O-N 2.94Å
198P85Confident81.7Confident92 Ų92120.7 Ų120.760%0.59765%0.645SS**PPolyproline II helixtrans-61131.9178.524.7-33.4000111Y200P198-Y200 HydrophobicContact CB-CE2 4.03Å; P198-Y200 HydrophobicContact CG-CE2 3.93Å
199Q83.9Confident81.4Confident139 Ų139122.1 Ų122.165%0.6566%0.656SS**PPolyproline II helixtrans-98.1120.1176.3-67.8-173.6-28.500110.3A197A197-Q199 PolarHBondContact O-N 2.94Å
200Y84.9Confident81.3Confident203 Ų203120.2 Ų120.280%0.79666%0.658SS**PPolyproline II helixtrans-99.4141.6177.5-57.9-80.3000110.2P198P198-Y200 HydrophobicContact CB-CE2 4.03Å; P198-Y200 HydrophobicContact CG-CE2 3.93Å
201T82.2Confident81.2Confident81 Ų81121.7 Ų121.750%0.49766%0.663SS.*  trans-132.2137.9173.6178.80000108.8A203 R205T201-A203 VanDerWaalsContact C-N 3.28Å; T201-A203 PolarHBondContact OG1-N 3.16Å; T201-R205 HydrophobicContact CG2-CG 4.35Å
202M85.3Confident81.1Confident200 Ų200125.5 Ų125.599%0.98568%0.679SS**SBendtrans-81.6-10.8175.2-62.6-61.9-71.800112.1
203A82.7Confident81.2Confident65 Ų65124 Ų12454%0.53767%0.67SS.*SBendtrans-81.5141.6176.900000110.9T201 R205T201-A203 VanDerWaalsContact C-N 3.28Å; T201-A203 PolarHBondContact OG1-N 3.16Å; A203-R205 PolarHBondContact O-N 3Å
204A79.6Confident81.2Confident90 Ų90126.9 Ų126.974%0.74468%0.68SS**  trans-58.9128.1172.900000110V206A204-V206 VanDerWaalsContact C-N 3.3Å; A204-V206 HydrophobicContact CB-CG2 4.39Å; A204-V206 PolarHBondContact O-N 3.4Å
205R76.3Confident81Confident199 Ų199127.2 Ų127.275%0.75168%0.682SS**  trans-75.488.2171.9-62.6-173-160.4-135.31.8108.1T201 A203 E207T201-R205 HydrophobicContact CG2-CG 4.35Å; A203-R205 PolarHBondContact O-N 3Å; R205-E207 PolarHBondContact O-N 3.04Å
206V78.4Confident81.1Confident120 Ų120120.5 Ų120.573%0.72766%0.659SS**  trans-81.9104.8170.3-176.80000106.4A204A204-V206 VanDerWaalsContact C-N 3.3Å; A204-V206 HydrophobicContact CB-CG2 4.39Å; A204-V206 PolarHBondContact O-N 3.4Å
207E76.3Confident81.1Confident132 Ų132117.6 Ų117.662%0.61766%0.657SS**  trans-61.2128.3164.2-68.7-165.4157.400107.4R205 K212R205-E207 PolarHBondContact O-N 3.04Å; E207-K212 WeakPolarHBondContact OE2-CE 3.2Å; E207-K212 IonicContact OE2-NZ 2.83Å; E207-K212 PolarHBondContact OE2-NZ 2.99Å
208P78.7Confident80.7Confident104 Ų104120.2 Ų120.268%0.67567%0.668SS**  trans-55144.8173.125-32.9000108.3G210P208-G210 VanDerWaalsContact C-N 3.27Å; P208-G210 PolarHBondContact O-N 2.91Å
209P76.2Confident80.5Confident142 Ų142119.4 Ų119.492%0.92268%0.676SS**SBendtrans-59.996.5174.625-32.5000108.5
210G78Confident80.6Confident50 Ų50115.9 Ų115.952%0.51567%0.671SS.*  trans-108.9160.3179.800000110.3P208 K212P208-G210 VanDerWaalsContact C-N 3.27Å; P208-G210 PolarHBondContact O-N 2.91Å; G210-K212 PolarHBondContact O-N 3.1Å
211D79Confident80.5Confident104 Ų104111.9 Ų111.956%0.55666%0.66SS**  trans-69.595.4176.7-171.83.7000109.7T213 K215D211-T213 PolarHBondContact O-N 2.68Å; D211-T213 VanDerWaalsContact OD1-CB 3.27Å; D211-T213 WeakPolarHBondContact OD1-CB 3.24Å; D211-T213 WeakPolarHBondContact OD1-CG2 3.33Å; D211-T213 PolarHBondContact OD1-N 3.01Å; D211-T213 VanDerWaalsContact OD1-N 3.12Å; D211-T213 PolarHBondContact OD1-OG1 3.43Å; D211-T213 PolarHBondContact OD2-OG1 2.8Å; D211-K215 WeakPolarHBondContact OD2-CE 3.45Å; D211-K215 IonicContact OD2-NZ 2.74Å; D211-K215 PolarHBondContact OD2-NZ 3.31Å
212K77.1Confident80.4Confident158 Ų158110.8 Ų110.869%0.68766%0.655SS**  trans-80.69.1175.6-64.9-173.7176.6-166.30112.4E207 G210 L214E207-K212 WeakPolarHBondContact OE2-CE 3.2Å; E207-K212 IonicContact OE2-NZ 2.83Å; E207-K212 PolarHBondContact OE2-NZ 2.99Å; G210-K212 PolarHBondContact O-N 3.1Å; K212-L214 PolarHBondContact O-N 2.99Å
213T82.8Confident79.9Confident87 Ų87106 Ų10653%0.53464%0.639SS.*  trans-65.1125.3174.4560000109.8D211 K215D211-T213 PolarHBondContact O-N 2.68Å; D211-T213 VanDerWaalsContact OD1-CB 3.27Å; D211-T213 WeakPolarHBondContact OD1-CB 3.24Å; D211-T213 WeakPolarHBondContact OD1-CG2 3.33Å; D211-T213 PolarHBondContact OD1-N 3.01Å; D211-T213 VanDerWaalsContact OD1-N 3.12Å; D211-T213 PolarHBondContact OD1-OG1 3.43Å; D211-T213 PolarHBondContact OD2-OG1 2.8Å; T213-K215 VanDerWaalsContact C-N 3.31Å; T213-K215 PolarHBondContact O-N 3.03Å; T213-K215 WeakPolarHBondContact OG1-CE 3.43Å
214L79.9Confident79.5Confident172 Ų172111.5 Ų111.590%0.90165%0.654SS**  trans-69.492.7170.8-67.7170.9000107.7K212 P216K212-L214 PolarHBondContact O-N 2.99Å; L214-P216 WeakPolarHBondContact O-CD 3.15Å
215K81.6Confident79.3Confident147 Ų147114.9 Ų114.964%0.63965%0.652SS**  trans-74.5112.6176.4-60.3-169.3-174179.90107.9D211 T213 G217D211-K215 WeakPolarHBondContact OD2-CE 3.45Å; D211-K215 IonicContact OD2-NZ 2.74Å; D211-K215 PolarHBondContact OD2-NZ 3.31Å; T213-K215 VanDerWaalsContact C-N 3.31Å; T213-K215 PolarHBondContact O-N 3.03Å; T213-K215 WeakPolarHBondContact OG1-CE 3.43Å; K215-G217 PolarHBondContact O-N 3.47Å
216P85.4Confident79.4Confident70 Ų70108.7 Ų108.746%0.45564%0.636SS.*  trans-54.9136174.621.5-31.9000109.3L214 A220 H221L214-P216 WeakPolarHBondContact O-CD 3.15Å; P216-A220 HydrophobicContact CB-CB 3.61Å; P216-H221 WeakPolarHBondContact CG-CE1 3.16Å
217G82.9Confident79.3Confident38 Ų38107.7 Ų107.739%0.39263%0.63SS.*  trans-63.6166.6172.700000111.2K215 G219 A220 H221K215-G217 PolarHBondContact O-N 3.47Å; G217-G219 PolarHBondContact O-N 2.98Å; G217-A220 WeakPolarHBondContact O-CB 3.49Å; G217-A220 PolarHBondContact O-N 3.24Å; G217-H221 PolarHBondContact O-CD2 3.35Å
218P78.8Confident79.3Confident131 Ų131109.6 Ų109.685%0.85164%0.643SS**THydrogen-bonded Turntrans-55.5-29.6-177.920-31.4000113.7
219G81Confident79.3Confident75 Ų75110.1 Ų110.177%0.77365%0.645SS**THydrogen-bonded Turntrans-86.8-7.2175.700000115.8G217 H221G217-G219 PolarHBondContact O-N 2.98Å; G219-H221 VanDerWaalsContact C-N 3.35Å
220A85.2Confident79.2Confident66 Ų66110.6 Ų110.655%0.54563%0.632SS.*THydrogen-bonded Turntrans-87.4-7.7178.200000112.7P216 G217P216-A220 HydrophobicContact CB-CB 3.61Å; G217-A220 WeakPolarHBondContact O-CB 3.49Å; G217-A220 PolarHBondContact O-N 3.24Å
221H82.3Confident79Confident119 Ų119114.3 Ų114.355%0.55165%0.648SS**  trans-82.9116171.9-63.6-75.7000110.1P216 G217 G219 P223P216-H221 WeakPolarHBondContact CG-CE1 3.16Å; G217-H221 PolarHBondContact O-CD2 3.35Å; G219-H221 VanDerWaalsContact C-N 3.35Å; H221-P223 WeakPolarHBondContact O-CD 3.44Å
222S80.8Confident78.7Confident58 Ų58113.1 Ų113.141%0.40665%0.647SS.*  trans-107.482.6171.7-58.50000110.2E224 K225S222-E224 PolarHBondContact O-N 3.43Å; S222-E224 VanDerWaalsContact O-N 3.15Å; S222-K225 PolarHBondContact O-N 3.02Å; S222-K225 VanDerWaalsContact O-N 3.07Å
223P74.9Confident78.4Confident100 Ų100109.2 Ų109.265%0.64964%0.644SS**G310 helixtrans-61.5-23.7-178.126.6-35.2000112.8H221 K225 V226H221-P223 WeakPolarHBondContact O-CD 3.44Å; P223-K225 PolarHBondContact O-N 2.85Å; P223-V226 PolarHBondContact O-N 3.23Å
224E74.9Confident78Confident179 Ų179110.8 Ų110.884%0.83666%0.656SS**G310 helixtrans-64.1-22.5176.6-57.8174.7-163.800113.3S222S222-E224 PolarHBondContact O-N 3.43Å; S222-E224 VanDerWaalsContact O-N 3.15Å
225K74.5Confident77.7Confident162 Ų162108.3 Ų108.370%0.70465%0.647SS**G310 helixtrans-94.32.3-178.4-61.8-178.3-179.2174.30113S222 P223 T227S222-K225 PolarHBondContact O-N 3.02Å; S222-K225 VanDerWaalsContact O-N 3.07Å; P223-K225 PolarHBondContact O-N 2.85Å; K225-T227 PolarHBondContact O-N 2.61Å
226V79.3Confident77.4Confident69 Ų69106.4 Ų106.442%0.41865%0.648SS.*  trans-84.496.8-177.1-178.70000109.9P223 T229P223-V226 PolarHBondContact O-N 3.23Å; V226-T229 WeakPolarHBondContact CG1-OG1 3.47Å
227T75.3Confident76.9Confident99 Ų99108.5 Ų108.561%0.60766%0.659SS**  trans-95-11.2178.356.30000114K225 C232K225-T227 PolarHBondContact O-N 2.61Å; T227-C232 HydrophobicContact CG2-CB 4.21Å
228L76.5Confident76.4Confident171 Ų171115.5 Ų115.590%0.89568%0.679SS**SBendtrans-72.6-37.5-177-92.1152.8000113.8
229T79.7Confident75.8Confident115 Ų115112.3 Ų112.371%0.70667%0.67SS**SBendtrans-112.9-15.1-174.8520000113.6V226V226-T229 WeakPolarHBondContact CG1-OG1 3.47Å
230K72.8Confident75.3Confident152 Ų152115.5 Ų115.566%0.66167%0.668SS**SBendtrans-134.2136.4-179.8-66.1-176.1178.9179.30109.6C232K230-C232 PolarHBondContact O-N 3.03Å
231P74.1Confident74.1Confident129 Ų129122.1 Ų122.184%0.83868%0.684SS**PPolyproline II helixtrans-62.1131.7170.126.2-31.8000109.2
232C72.4Confident73.2Confident79 Ų79122.5 Ų122.553%0.53469%0.686SS.*PPolyproline II helixtrans-69.7136.4175.1-168.20000109.2T227 K230T227-C232 HydrophobicContact CG2-CB 4.21Å; K230-C232 PolarHBondContact O-N 3.03Å
233A72Confident72.8Confident76 Ų76123.5 Ų123.563%0.62869%0.693SS**PPolyproline II helixtrans-62.9143.5171.300000109.5V235A233-V235 PolarHBondContact O-N 3.02Å; A233-V235 VanDerWaalsContact O-N 3.14Å
234P73.9Confident72.3Confident120 Ų120126.6 Ų126.678%0.77970%0.704SS**PPolyproline II helixtrans-59.6121.3-179.523.6-32.6000110.3V236P234-V236 PolarHBondContact O-N 3.19Å
235V73.5Confident71.6Confident120 Ų120128.1 Ų128.173%0.72770%0.704SS**  trans-80.3103.6174-178.80000107.5A233 T237A233-V235 PolarHBondContact O-N 3.02Å; A233-V235 VanDerWaalsContact O-N 3.14Å; V235-T237 HydrophobicContact CG1-CG2 4.33Å; V235-T237 PolarHBondContact O-N 3.48Å
236V74.3Confident70.9Confident107 Ų107126.5 Ų126.565%0.64870%0.7SS**  trans-79.3105.5175.2-173.10000107.8P234 F238P234-V236 PolarHBondContact O-N 3.19Å; V236-F238 HydrophobicContact CG1-CE1 4.43Å; V236-F238 HydrophobicContact CG1-CZ 4.34Å
237T75.3Confident70Confident114 Ų114129.2 Ų129.270%0.69972%0.717SS**  trans-88.4122.2166.552.90000108.2V235 G239V235-T237 HydrophobicContact CG1-CG2 4.33Å; V235-T237 PolarHBondContact O-N 3.48Å; T237-G239 PolarHBondContact O-N 3.28Å; T237-G239 VanDerWaalsContact O-N 3.11Å
238F72.4Confident69.4Low185 Ų185129.8 Ų129.881%0.81172%0.722SS**  trans-74.7100.7162.9-59.3-78.1000105.8V236 I240V236-F238 HydrophobicContact CG1-CE1 4.43Å; V236-F238 HydrophobicContact CG1-CZ 4.34Å; F238-I240 PolarHBondContact O-N 2.95Å
239G66.7Low68.5Low63 Ų63129.5 Ų129.565%0.64972%0.721SS**  trans-50.2129.2174.900000109.4T237 K241T237-G239 PolarHBondContact O-N 3.28Å; T237-G239 VanDerWaalsContact O-N 3.11Å; G239-K241 PolarHBondContact O-N 3.36Å
240I70.3Confident67.6Low142 Ų142129.4 Ų129.473%0.72872%0.719SS**  trans-63113.6173.9-61.8169.5000106.2F238 H242F238-I240 PolarHBondContact O-N 2.95Å; I240-H242 PolarHBondContact O-N 3.1Å; I240-H242 PolarHBondContact O-ND1 3.42Å
241K60.2Low66.9Low206 Ų206127.8 Ų127.890%0.89672%0.722SS**  trans-67.7102169.5-72.3-170.9175.1-172.50107.2G239G239-K241 PolarHBondContact O-N 3.36Å
242H64.4Low65.9Low127 Ų127128.8 Ų128.859%0.58872%0.721SS**  trans-67.7145.7164.7-62.973.2000107.1I240 M246I240-H242 PolarHBondContact O-N 3.1Å; I240-H242 PolarHBondContact O-ND1 3.42Å; H242-M246 HydrophobicContact CB-SD 3.72Å
243S71.8Confident65.1Low79 Ų79131.4 Ų131.455%0.55273%0.733SS**  trans-54.9151.5-173.857.10000111.9Y245 M246S243-Y245 PolarHBondContact O-N 3.46Å; S243-M246 PolarHBondContact O-N 3.35Å
244D63.1Low63.9Low165 Ų165140.4 Ų140.488%0.88276%0.763SS**THydrogen-bonded Turntrans-60.5-4.7-177.9-61.3-23.5000114.2
245Y61.8Low63.4Low211 Ų211141.4 Ų141.483%0.82776%0.762SS**THydrogen-bonded Turntrans-101.611.5-178.3-60.4-73.5000114.1S243 V247S243-Y245 PolarHBondContact O-N 3.46Å; Y245-V247 PolarHBondContact O-N 3.28Å
246M59.5Low62.9Low128 Ų128142.5 Ų142.563%0.63176%0.764SS**  trans-79.9112.8171.8-83.8-163.665.200111.3H242 S243H242-M246 HydrophobicContact CB-SD 3.72Å; S243-M246 PolarHBondContact O-N 3.35Å
247V60.5Low62.2Low126 Ų126144.5 Ų144.576%0.76477%0.77SS**  trans-62.3123.5174.5175.50000109.7Y245 L249Y245-V247 PolarHBondContact O-N 3.28Å; V247-L249 PolarHBondContact O-N 3.28Å
248P62.1Low61.5Low110 Ų110146.3 Ų146.371%0.71477%0.774SS**  trans-68.5121.3172.126.7-31000109.5V250P248-V250 PolarHBondContact O-N 3.11Å; P248-V250 VanDerWaalsContact O-N 3.11Å
249L58.5Low60.8Low166 Ų166143.9 Ų143.987%0.86977%0.772SS**  trans-8851.9179.4-145.5146.3000109.7V247V247-L249 PolarHBondContact O-N 3.28Å
250V59.9Low60.4Low112 Ų112149.3 Ų149.368%0.67978%0.78SS**  trans-111100.7171.6-174.50000106.8P248P248-V250 PolarHBondContact O-N 3.11Å; P248-V250 VanDerWaalsContact O-N 3.11Å
251V57.8Low59.7Low119 Ų119149.8 Ų149.872%0.72178%0.784SS**  trans-91.6110.2168.6-177.20000105.5V253V251-V253 PolarHBondContact O-N 3.1Å
252D53.6Low59.6Low150 Ų150145.5 Ų145.580%0.80278%0.775SS**  trans-67.9118.4166.9-72.4-35.2000107.5
253V55.9Low59.2Low133 Ų133147 Ų14781%0.80679%0.791SS**  trans-93.6118.5174.3-179.70000106.7V251V251-V253 PolarHBondContact O-N 3.1Å
254E46.6Very low58.1Low265 Ų265153.2 Ų153.2100%1.23881%0.812SS**  trans-63.70167.9-72.8-175.8156.100112.3

Retrieved 254 of 254 residues in 354.3 ms (Link to these results)