A0A096NRL7_PAPAN Loading...

E3 ubiquitin-protein ligase Hakai

E3 ubiquitin-protein ligase that mediates ubiquitination of several tyrosine-phosphorylated Src substrates, including CDH1, CTTN and DOK1. Targets CDH1 for endocytosis and degradation. Associated component of the WMM complex, a complex that mediates N6-methyladenosine (m6A) methylation of RNAs, a modification that plays a role in the efficiency of mRNA splicing and RNA processing. Its function in the WMM complex is unknown.

AlphaFold DB (A0A2J8TA67), UniProt , Accession A0A096NRL7, Species PAPAN (Papio anubis, Olive baboon), Gene CBLL1, Length 491 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
1M35.1Very low37.3Very low218 Ų218149.4 Ų149.4100%1.07481%0.807SS**  0113.50-70.876171.200107.9
2D36.4Very low37Very low128 Ų128150.1 Ų150.168%0.68481%0.81SS**  87.9132.294.8-72.2-99.9000110.7
3H36.5Very low36.8Very low152 Ų152147.2 Ų147.270%0.70481%0.808SS**  cis-163.3150.1-1.9-13168.4000109.4
4T38.7Very low36.7Very low107 Ų107146.1 Ų146.166%0.65682%0.817SS**  trans56.3132134.4-63.30000120.9
5D38.8Very low36.4Very low145 Ų145141.7 Ų141.778%0.77582%0.817SS**  cis-165.3-176-4.9-134-81.9000111.8
6N37.9Very low36.2Very low147 Ų147139.8 Ų139.879%0.78681%0.814SS**  trans78.674.6162.2-163.762.6000117.6
7E34.2Very low36.2Very low183 Ų183141.5 Ų141.586%0.85582%0.818SS**  trans-121.5147.6148.9-95.2-147.395.500113.2
8L46.9Very low36Very low151 Ų151137.2 Ų137.279%0.79181%0.81SS**  trans-70.6130.2176.4-65.3138.7000111.3
9Q37.6Very low36.5Very low195 Ų195134.3 Ų134.391%0.91181%0.812SS**  trans168.6157.8135.8-94.7154.68800111.3
10G31Very low36.5Very low74 Ų74135.6 Ų135.676%0.76381%0.813SS**  trans149.662.1167.400000116.1
11T37.4Very low37.1Very low143 Ų143136.5 Ų136.588%0.87781%0.814SS**  trans-70.5128.5165.149.80000110.7
12N33.2Very low37.3Very low158 Ų158132.1 Ų132.185%0.84580%0.799SS**  trans-131.2141.1154.363.13.7000111.1
13S34.8Very low37.6Very low112 Ų112136.7 Ų136.778%0.78381%0.806SS**  trans-105.4135.5-159-48.10000112.1
14S35.9Very low38.2Very low133 Ų133140.5 Ų140.593%0.9382%0.815SS**  trans-173.4126.1148.5-84.80000111.3
15G31.5Very low38.5Very low80 Ų80147 Ų14783%0.82583%0.827SS**  trans135.293.5169.400000114.7
16S34Very low39.1Very low110 Ų110147.1 Ų147.177%0.76983%0.826SS**  trans-71.2135.1177.8-91.20000114.3
17L35.2Very low39.2Very low169 Ų169145.6 Ų145.689%0.88583%0.825SS**  trans61.1132.1131.1-56.5171.2000120.9
18G32.5Very low39.8Very low65 Ų65143.8 Ų143.867%0.6782%0.819SS**  trans109104.2145.600000115.4
19G45.3Very low40Very low81 Ų81145.2 Ų145.284%0.83582%0.819SS**  trans-66.5134.5166.600000110.8
20L37.6Very low40.3Very low161 Ų161143.7 Ų143.784%0.84382%0.816SS**  trans-109.2122.7-176.2-71.6173.9000112.6V22L20-V22 PolarHBondContact O-N 3.47Å
21D48.1Very low40.8Very low154 Ų154147.4 Ų147.482%0.82482%0.817SS**  trans-50.4123.9166.4-78.3-95.2000113.2
22V39.1Very low40.8Very low126 Ų126145.1 Ų145.176%0.76481%0.807SS**  trans-116.566.5164.6-171.80000110.5L20 R24L20-V22 PolarHBondContact O-N 3.47Å; V22-R24 PolarHBondContact O-N 3.48Å
23R43.9Very low41.4Very low224 Ų224147.4 Ų147.485%0.84581%0.81SS**  trans-65.997.4165.3-168.1172-179.5-179.30.1108.5R25R23-R25 PolarHBondContact O-N 3.47Å; R23-R25 VanDerWaalsContact O-N 3.17Å
24R48.6Very low41.5Very low232 Ų232150.5 Ų150.588%0.87581%0.811SS**PPolyproline II helixtrans-55.6121.2-177-74.2-168.8-174.291.72.4110.9V22V22-R24 PolarHBondContact O-N 3.48Å
25R44.7Very low41.7Very low243 Ų243149.1 Ų149.192%0.91781%0.809SS**PPolyproline II helixtrans-79.8118.3-177.5-56.6179.6-170.4-141.51.4109.5R23R23-R25 PolarHBondContact O-N 3.47Å; R23-R25 VanDerWaalsContact O-N 3.17Å
26I51.3Low41.8Very low148 Ų148152.4 Ų152.476%0.75981%0.807SS**PPolyproline II helixtrans-84.4121.8163.6-58.1172.5000106.8I28I26-I28 PolarHBondContact O-N 3.12Å
27P40.6Very low42.3Very low116 Ų116157 Ų15775%0.75381%0.813SS**  trans-74.296.3176.829.1-32.9000110.5K29P27-K29 PolarHBondContact O-N 3.41Å
28I47.3Very low42.3Very low144 Ų144153.1 Ų153.174%0.73881%0.806SS**  trans-73.3104.5168.4-58175.5000107.8I26 L30I26-I28 PolarHBondContact O-N 3.12Å; I28-L30 PolarHBondContact O-N 3.49Å
29K50.5Low42.8Very low182 Ų182159.7 Ų159.779%0.79182%0.816SS**  trans-73.9117.1165.8-72.4-162.8174.9-172.60109.1P27 I31P27-K29 PolarHBondContact O-N 3.41Å; K29-I31 HydrophobicContact CB-CD1 4.41Å; K29-I31 PolarHBondContact O-N 2.97Å
30L43.8Very low42.3Very low163 Ų163161.9 Ų161.985%0.85382%0.815SS**  trans-64.2117.6163-85.879.6000108.6I28I28-L30 PolarHBondContact O-N 3.49Å
31I41.7Very low42.3Very low151 Ų151158.4 Ų158.477%0.77481%0.81SS**  trans-84.6109.4158-77.165000106.2K29K29-I31 HydrophobicContact CB-CD1 4.41Å; K29-I31 PolarHBondContact O-N 2.97Å
32S36.8Very low41.7Very low96 Ų96157.5 Ų157.567%0.67181%0.812SS**  trans-67142.7171.3-177.80000110.5Q34S32-Q34 PolarHBondContact O-N 3.46Å
33K46.3Very low41.4Very low206 Ų206162.9 Ų162.990%0.89682%0.819SS**  trans-71.6105.8173.5-69176.6179176.50109.6
34Q37.4Very low41Very low176 Ų176158.7 Ų158.782%0.82282%0.818SS**  trans-96.9122.8159.5-69.3-170.57.300109.7S32 N36S32-Q34 PolarHBondContact O-N 3.46Å; Q34-N36 PolarHBondContact O-N 3.34Å
35A40Very low40.3Very low105 Ų105156.5 Ų156.587%0.86882%0.818SS**  trans-78.8100.1174.600000109.7K37A35-K37 PolarHBondContact O-N 3.32Å
36N33.2Very low39.6Very low149 Ų149156.3 Ų156.380%0.79782%0.817SS**  trans-87.6103.4-178.2-150.2-25.6000110.8Q34 A38Q34-N36 PolarHBondContact O-N 3.34Å; N36-A38 PolarHBondContact O-N 2.88Å; N36-A38 VanDerWaalsContact O-N 3.08Å
37K45.3Very low38.8Very low206 Ų206155.2 Ų155.290%0.89682%0.818SS**  trans-76.385.5174.7-82.5-175.7171.4179.70110.5A35A35-K37 PolarHBondContact O-N 3.32Å
38A34.8Very low38.5Very low88 Ų88157.3 Ų157.373%0.72782%0.821SS**PPolyproline II helixtrans-90.8117.7168.500000111N36N36-A38 PolarHBondContact O-N 2.88Å; N36-A38 VanDerWaalsContact O-N 3.08Å
39K42.6Very low37.9Very low203 Ų203157 Ų15788%0.88382%0.821SS**PPolyproline II helixtrans-74.6134168.1-69.9176.5176.3177.10109.5
40P35.4Very low37Very low126 Ų126159.7 Ų159.782%0.81883%0.826SS**PPolyproline II helixtrans-76142.5162.630.9-31.7000110.8
41A38Very low36.5Very low88 Ų88159.8 Ų159.873%0.72782%0.824SS**PPolyproline II helixtrans-74.2153.217000000111R43A41-R43 PolarHBondContact O-N 3.07Å
42P34.4Very low36.1Very low135 Ų135158.4 Ų158.488%0.87783%0.825SS**PPolyproline II helixtrans-71.4120.6-175.228.7-34000111.3
43R32.9Very low35.9Very low240 Ų240159 Ų15991%0.90684%0.836SS**PPolyproline II helixtrans-93.4127.5170.3-170.4173.5-177.7168.81109.7A41 Q45A41-R43 PolarHBondContact O-N 3.07Å; R43-Q45 PolarHBondContact O-N 2.83Å
44T36.2Very low35.1Very low135 Ų135159.1 Ų159.183%0.82884%0.836SS**PPolyproline II helixtrans-54.5128.5-175.7-25.80000112.4R46T44-R46 PolarHBondContact O-N 3.41Å
45Q32.6Very low35Very low187 Ų187154.8 Ų154.887%0.87483%0.831SS**PPolyproline II helixtrans-68129.3170.7-80.3179.9-42.500110.1R43R43-Q45 PolarHBondContact O-N 2.83Å
46R31.3Very low35Very low238 Ų238155.7 Ų155.790%0.89883%0.828SS**PPolyproline II helixtrans-82.6119.5163.8-102.7-179.1168175.9-4.9108.5T44 I48T44-R46 PolarHBondContact O-N 3.41Å; R46-I48 PolarHBondContact O-N 3Å
47T32.9Very low35.3Very low126 Ų126155 Ų15577%0.77383%0.832SS**PPolyproline II helixtrans-62.3128.9174.7-320000110.3N49T47-N49 WeakPolarHBondContact CG2-OD1 3.47Å
48I36Very low34.6Very low159 Ų159148.2 Ų148.282%0.81582%0.819SS**  trans-111.896.4173.7-38.5175.1000107.7R46 R50R46-I48 PolarHBondContact O-N 3Å; I48-R50 PolarHBondContact O-N 3.22Å
49N33.9Very low34.5Very low139 Ų139150.6 Ų150.674%0.74382%0.82SS**  trans-75119.8174.7-69.911.1000109.2T47T47-N49 WeakPolarHBondContact CG2-OD1 3.47Å
50R31.3Very low34.3Very low238 Ų238148.2 Ų148.290%0.89881%0.812SS**  trans-130.1116.5162.2-178.6172.4-86.4-131.8-1.3108.9I48I48-R50 PolarHBondContact O-N 3.22Å
51M33.2Very low34.4Very low165 Ų165151.6 Ų151.681%0.81382%0.817SS**PPolyproline II helixtrans-68.9150-178.8-62.6-64.3-163.500111.7
52P34.2Very low34.3Very low122 Ų122150.4 Ų150.479%0.79281%0.813SS**PPolyproline II helixtrans-82.5142.8171.833.4-33000111.7
53A32.1Very low34.1Very low109 Ų109153.8 Ų153.890%0.90181%0.814SS**PPolyproline II helixtrans-85.7139.3167.900000110.2
54K30.3Very low34.3Very low207 Ų207149.1 Ų149.190%0.981%0.808SS**  trans-112.8132.7-178.8-172.7-179-178-176.30109.5
55A34.4Very low34.1Very low86 Ų86153 Ų15371%0.71181%0.808SS**  trans-117.9158.1169.100000109.4
56P40.9Very low34.3Very low124 Ų124150.6 Ų150.681%0.80580%0.802SS**  trans-83.3169.5-162.634-36.2000114.3
57P38.4Very low34.3Very low135 Ų135147.7 Ų147.788%0.87780%0.798SS**  trans-95.8158.9-168.238.5-35.6000114.2
58G31.9Very low34.5Very low62 Ų62150.4 Ų150.464%0.63980%0.802SS**  trans159.8146.7166.400000107.4
59D32.4Very low34.3Very low138 Ų138149.5 Ų149.574%0.73880%0.795SS**  cis-176.6163.5-15.741.3-65.8000104.4
60E38.7Very low34.6Very low153 Ų153151.6 Ų151.672%0.71579%0.792SS**  trans23.6135.6174.318.6-97.36600124.3
61E35.9Very low34.6Very low197 Ų197151.2 Ų151.292%0.92179%0.792SS**  trans65.6138.6149.9-60.2176137.700118.9
62G36.3Very low34.5Very low63 Ų63148.6 Ų148.665%0.64978%0.782SS**  cis141.336.17.400000114
63F30.1Very low34.8Very low207 Ų207148.9 Ų148.991%0.90879%0.785SS**  trans-138125.5174.4-95-83.4000113.2
64D37Very low35.3Very low142 Ų142152.4 Ų152.476%0.75978%0.78SS**  trans-89.2128.6169178.517.5000109
65Y32.2Very low35.2Very low215 Ų215146.4 Ų146.484%0.84378%0.776SS**  trans-152.6108.6159.9-117.6-80000110.3
66N38Very low35.1Very low138 Ų138146 Ų14674%0.73878%0.781SS**  trans-86.6122.5164.3179.7-62000108.6
67E29.9Very low35.3Very low176 Ų176148.6 Ų148.682%0.82278%0.782SS**  trans-155.6141.2144.4-161.1155.289.100111.9
68E37.4Very low35.6Very low184 Ų184150.4 Ų150.486%0.8678%0.784SS**  trans-99.2105.2179174.2-175148.100109.8
69E32.2Very low36.1Very low140 Ų140157.4 Ų157.465%0.65480%0.797SS**  trans-156.5154.1159.1-125.8-156.5108.100115.3
70R39.3Very low36Very low183 Ų183154.1 Ų154.169%0.69180%0.796SS**  trans56.8104.9166.2-73.4-178.416991.40.9119.2
71Y31.2Very low36.2Very low229 Ų229155.2 Ų155.290%0.89881%0.807SS**  -127.2103.9119.9-124.4-90.5000110.4C73Y71-C73 PolarHBondContact O-N 2.91Å
72D32.6Very low36.1Very low111 Ų111153.6 Ų153.659%0.59480%0.799SS**  trans-83.2108.5-177.7-165.1-38.9000110K74D72-K74 PolarHBondContact O-N 3.48Å; D72-K74 VanDerWaalsContact O-N 3.09Å; D72-K74 VanDerWaalsContact OD1-CB 3.32Å; D72-K74 WeakPolarHBondContact OD1-CB 3.25Å; D72-K74 WeakPolarHBondContact OD1-CG 3.37Å; D72-K74 PolarHBondContact OD1-N 2.86Å
73C39.8Very low36.5Very low127 Ų127160.5 Ų160.586%0.85881%0.806SS**  trans-84.363.4174.1-77.60000111.6Y71Y71-C73 PolarHBondContact O-N 2.91Å
74K41.7Very low37.3Very low184 Ų184161.4 Ų161.480%0.880%0.803SS**  trans-119.895.1166.9-77.8-176.9173.8-178.10112.1D72D72-K74 PolarHBondContact O-N 3.48Å; D72-K74 VanDerWaalsContact O-N 3.09Å; D72-K74 VanDerWaalsContact OD1-CB 3.32Å; D72-K74 WeakPolarHBondContact OD1-CB 3.25Å; D72-K74 WeakPolarHBondContact OD1-CG 3.37Å; D72-K74 PolarHBondContact OD1-N 2.86Å
75G29.7Very low37.2Very low80 Ų80162.5 Ų162.583%0.82580%0.801SS**  trans-115.1107.9156.900000108.5
76G31.1Very low37.8Very low79 Ų79157.8 Ų157.881%0.81480%0.797SS**  trans-75.8167.3-171.100000115.3
77E44.8Very low37.7Very low177 Ų177154.5 Ų154.583%0.82780%0.795SS**  trans-60.1129.7173.5-67.2166.295.300112.5
78L45.8Very low38.2Very low174 Ų174153 Ų15391%0.91179%0.789SS**  trans-143.1141.8141.7-76.3-175.6000109.3
79F41.8Very low38.6Very low209 Ų209149.7 Ų149.792%0.91778%0.776SS**  trans-70.5141.6-171.6-79.5-113.8000113
80G31.5Very low39Very low69 Ų69149.7 Ų149.771%0.71177%0.774SS**  trans-176.8114.9170.300000113.6Q82G80-Q82 PolarHBondContact O-N 3.45Å
81N41.2Very low39.9Very low176 Ų176148.9 Ų148.994%0.94177%0.771SS**  trans-7183.9-178.2-77.5-69.4000112.9
82Q34.9Very low40.7Very low163 Ų163143.3 Ų143.376%0.76276%0.757SS**  trans-144.5107.2160.1-156.3148.492.200112.2G80 R84G80-Q82 PolarHBondContact O-N 3.45Å; Q82-R84 VanDerWaalsContact C-N 3.29Å; Q82-R84 PolarHBondContact O-N 3.09Å
83R45.4Very low41.6Very low208 Ų208142.2 Ų142.279%0.78575%0.747SS**  trans-65.689.1168-65.4-174-169-93.22.9108.8F85R83-F85 VanDerWaalsContact C-N 3.28Å; R83-F85 HydrophobicContact CB-CD2 4.39Å; R83-F85 HydrophobicContact CB-CE2 4.15Å; R83-F85 WeakPolarHBondContact O-CD2 3.47Å; R83-F85 PolarHBondContact O-N 2.76Å
84R44.9Very low41.9Very low225 Ų225144.2 Ų144.285%0.84974%0.744SS**  trans-6895.2158-75.1-161.5178.6-170.42.8107.3Q82 P86Q82-R84 VanDerWaalsContact C-N 3.29Å; Q82-R84 PolarHBondContact O-N 3.09Å; R84-P86 VanDerWaalsContact O-CD 3.24Å; R84-P86 WeakPolarHBondContact O-CD 3.49Å
85F35Very low42.5Very low166 Ų166139.5 Ų139.573%0.72873%0.726SS**  trans-56.3118.1171.2-71.5-91.9000108.8R83 G87R83-F85 VanDerWaalsContact C-N 3.28Å; R83-F85 HydrophobicContact CB-CD2 4.39Å; R83-F85 HydrophobicContact CB-CE2 4.15Å; R83-F85 WeakPolarHBondContact O-CD2 3.47Å; R83-F85 PolarHBondContact O-N 2.76Å; F85-G87 PolarHBondContact O-N 3.3Å
86P45.8Very low43.7Very low115 Ų115138.2 Ų138.275%0.74770%0.701SS**  trans-61.4135.8165.7-16.932.1000108R84R84-P86 VanDerWaalsContact O-CD 3.24Å; R84-P86 WeakPolarHBondContact O-CD 3.49Å
87G35.8Very low45.2Very low69 Ų69141.9 Ų141.971%0.71170%0.7SS**SBendtrans-40.2133.5-158.500000117.4F85 L89F85-G87 PolarHBondContact O-N 3.3Å; G87-L89 PolarHBondContact O-N 3.14Å
88H41.5Very low45.5Very low146 Ų146141.2 Ų141.268%0.67670%0.701SS**  trans2669.9156.1-162.7-75.3000115.5F90H88-F90 VanDerWaalsContact C-N 3.33Å; H88-F90 AromaticContact CE1-CD2 3.25Å; H88-F90 WeakPolarHBondContact CE1-CD2 3.31Å; H88-F90 AromaticContact CE1-CE2 3.53Å; H88-F90 AromaticContact CE1-CG 3.84Å; H88-F90 AromaticContact ND1-CD2 3.37Å; H88-F90 WeakPolarHBondContact ND1-CD2 3.32Å; H88-F90 AromaticContact ND1-CE2 4Å; H88-F90 PolarHBondContact O-N 2.8Å
89L45.5Very low45.5Very low113 Ų113136.8 Ų136.859%0.59270%0.698SS**  trans-61.5100164-75.4168.7000107.9G87 W91 L114G87-L89 PolarHBondContact O-N 3.14Å; L89-W91 PolarHBondContact O-N 2.81Å; L89-L114 HydrophobicContact CD1-CD1 3.83Å; L89-L114 HydrophobicContact CD1-CD2 4.15Å
90F40.3Very low46.1Very low141 Ų141133.3 Ų133.362%0.61868%0.684SS**  trans-57.7128.2-177.6-136.5-82.4000109H88 D92H88-F90 VanDerWaalsContact C-N 3.33Å; H88-F90 AromaticContact CE1-CD2 3.25Å; H88-F90 WeakPolarHBondContact CE1-CD2 3.31Å; H88-F90 AromaticContact CE1-CE2 3.53Å; H88-F90 AromaticContact CE1-CG 3.84Å; H88-F90 AromaticContact ND1-CD2 3.37Å; H88-F90 WeakPolarHBondContact ND1-CD2 3.32Å; H88-F90 AromaticContact ND1-CE2 4Å; H88-F90 PolarHBondContact O-N 2.8Å; F90-D92 WeakPolarHBondContact CB-OD1 3.24Å; F90-D92 WeakPolarHBondContact CD1-OD1 3.5Å; F90-D92 PolarHBondContact O-N 2.76Å
91W56.8Low47Very low165 Ų165137.6 Ų137.663%0.62568%0.683SS**  trans-8468.1-177.6-69.292.6000109.6L89 F93 I95 P115L89-W91 PolarHBondContact O-N 2.81Å; W91-F93 PolarHBondContact O-N 3.41Å; W91-I95 HydrophobicContact CE3-CD1 4.35Å; W91-I95 HydrophobicContact CZ3-CD1 4.41Å; W91-P115 HydrophobicContact CH2-CG 3.74Å; W91-P115 HydrophobicContact CZ3-CG 3.51Å
92D48.9Very low47.8Very low112 Ų112132.2 Ų132.260%0.59965%0.654SS**  trans-67.213.5178.8-32.9-60.3000113.6F90 K117F90-D92 WeakPolarHBondContact CB-OD1 3.24Å; F90-D92 WeakPolarHBondContact CD1-OD1 3.5Å; F90-D92 PolarHBondContact O-N 2.76Å; D92-K117 IonicContact OD2-NZ 3.34Å; D92-K117 PolarHBondContact OD2-NZ 3.47Å
93F52.1Low49Very low89 Ų89130.5 Ų130.539%0.3965%0.65SS.*SBendtrans-112.9111.4-175-81.9-109.5000106.8W91 I95 K117W91-F93 PolarHBondContact O-N 3.41Å; F93-I95 PolarHBondContact O-N 3.46Å; F93-K117 HydrophobicContact CD1-CG 4.31Å; F93-K117 HydrophobicContact CD2-CD 3.84Å; F93-K117 HydrophobicContact CD2-CG 4.04Å; F93-K117 HydrophobicContact CE1-CB 3.9Å; F93-K117 HydrophobicContact CE1-CD 4.44Å; F93-K117 HydrophobicContact CE1-CG 3.84Å; F93-K117 HydrophobicContact CE2-CB 4.2Å; F93-K117 HydrophobicContact CE2-CD 3.26Å; F93-K117 HydrophobicContact CE2-CG 3.59Å; F93-K117 HydrophobicContact CG-CG 4.42Å; F93-K117 HydrophobicContact CZ-CB 3.59Å; F93-K117 HydrophobicContact CZ-CD 3.61Å; F93-K117 HydrophobicContact CZ-CG 3.47Å; F93-K117 VanDerWaalsContact CZ-CG 3.47Å
94Q45Very low50Low169 Ų169122.6 Ų122.679%0.7963%0.625SS**  trans-68.678.1171-170.9163.7-5.500109N96Q94-N96 PolarHBondContact O-N 3.25Å
95I55.1Low51.4Low84 Ų84115.7 Ų115.743%0.43161%0.609SS.*  trans-64121.8158.2-55.3170.9000104.5W91 F93 I97W91-I95 HydrophobicContact CE3-CD1 4.35Å; W91-I95 HydrophobicContact CZ3-CD1 4.41Å; F93-I95 PolarHBondContact O-N 3.46Å; I95-I97 HydrophobicContact CB-CG1 4.49Å; I95-I97 VanDerWaalsContact O-CG1 3.31Å; I95-I97 WeakPolarHBondContact O-CG1 3.33Å; I95-I97 PolarHBondContact O-N 3.17Å
96N54.9Low53.7Low54 Ų54110.7 Ų110.729%0.28959%0.593SS.*  trans-7185173.2-86.9-5.6000109.4Q94 L98 E100Q94-N96 PolarHBondContact O-N 3.25Å; N96-L98 PolarHBondContact O-N 3.21Å; N96-E100 HydrophobicContact CB-CB 4.35Å; N96-E100 PolarHBondContact ND2-OE2 2.69Å
97I61.8Low55.5Low156 Ų156107.2 Ų107.280%0.857%0.566SS**  trans-67.2-18.9171.2-34.9-174.1000110.1I95 G99I95-I97 HydrophobicContact CB-CG1 4.49Å; I95-I97 VanDerWaalsContact O-CG1 3.31Å; I95-I97 WeakPolarHBondContact O-CG1 3.33Å; I95-I97 PolarHBondContact O-N 3.17Å; I97-G99 VanDerWaalsContact C-N 3.33Å; I97-G99 PolarHBondContact O-N 2.94Å; I97-G99 VanDerWaalsContact O-N 3.14Å
98L51.3Low58Low163 Ų163110.1 Ų110.185%0.85356%0.559SS**SBendtrans-85.754.4-177.9-60.5176.7000113.4N96 E100N96-L98 PolarHBondContact O-N 3.21Å; L98-E100 PolarHBondContact O-N 2.83Å
99G45.9Very low60.4Low81 Ų81103.3 Ų103.384%0.83553%0.528SS*.SBendtrans66.9-16.5163.400000118.3I97 K101I97-G99 VanDerWaalsContact C-N 3.33Å; I97-G99 PolarHBondContact O-N 2.94Å; I97-G99 VanDerWaalsContact O-N 3.14Å; G99-K101 PolarHBondContact O-N 2.98Å
100E54.6Low62.4Low136 Ų136102.4 Ų102.464%0.63652%0.524SS*.  trans-72.6113172-173.3178.2-169.100109.2N96 L98 D102N96-E100 HydrophobicContact CB-CB 4.35Å; N96-E100 PolarHBondContact ND2-OE2 2.69Å; L98-E100 PolarHBondContact O-N 2.83Å; E100-D102 PolarHBondContact O-N 3.31Å
101K51Low64.7Low159 Ų159101 Ų10169%0.69152%0.518SS*.  trans-65.398.9179.7174172.4161.4-77.70109.8G99 D103G99-K101 PolarHBondContact O-N 2.98Å; K101-D103 IonicContact NZ-OD1 3.52Å; K101-D103 PolarHBondContact NZ-OD1 3.09Å; K101-D103 PolarHBondContact O-N 3.2Å
102D56.8Low66.2Low63 Ų6395.5 Ų95.534%0.33750%0.504SS..  trans-58.1107.8165.9-172.8-16.6000108E100 T104 R160E100-D102 PolarHBondContact O-N 3.31Å; D102-T104 PolarHBondContact O-N 2.85Å; D102-T104 VanDerWaalsContact O-N 3.12Å; D102-T104 PolarHBondContact OD1-N 2.89Å; D102-T104 VanDerWaalsContact OD1-N 3.09Å; D102-R160 IonicContact OD1-NH1 2.69Å; D102-R160 IonicContact OD2-CZ 3.41Å; D102-R160 VanDerWaalsContact OD2-CZ 3.23Å; D102-R160 IonicContact OD2-NH1 2.83Å; D102-R160 PolarHBondContact OD2-NH1 2.83Å; D102-R160 IonicContact OD2-NH2 3.23Å; D102-R160 PolarHBondContact OD2-NH2 3.19Å
103D60.9Low68.1Low126 Ų12692.5 Ų92.567%0.67450%0.499SS*.SBendtrans-64.6-14.5-176.3-84.3-38.8000112.8K101 P105K101-D103 IonicContact NZ-OD1 3.52Å; K101-D103 PolarHBondContact NZ-OD1 3.09Å; K101-D103 PolarHBondContact O-N 3.2Å; D103-P105 WeakPolarHBondContact O-CD 3.32Å
104T66.6Low69.8Low43 Ų4391.9 Ų91.926%0.26450%0.5SS..SBendtrans-96.1109179.3-48.40000111.8D102 V106 R160D102-T104 PolarHBondContact O-N 2.85Å; D102-T104 VanDerWaalsContact O-N 3.12Å; D102-T104 PolarHBondContact OD1-N 2.89Å; D102-T104 VanDerWaalsContact OD1-N 3.09Å; T104-V106 PolarHBondContact O-N 3.47Å; T104-R160 HydrophobicContact CG2-CG 3.41Å; T104-R160 VanDerWaalsContact CG2-CG 3.41Å; T104-R160 PolarHBondContact O-NH1 3.33Å
105P74.6Confident71.9Confident79 Ų7985.3 Ų85.351%0.51347%0.472SS..PPolyproline II helixtrans-60.2131.7-177.625.3-34.7000111.6D103 H107D103-P105 WeakPolarHBondContact O-CD 3.32Å; P105-H107 PolarHBondContact O-N 2.57Å
106V82.2Confident73.5Confident62 Ų6281.9 Ų81.938%0.37645%0.454SS..PPolyproline II helixtrans-75.5122.4172-179.60000108.5T104 P115T104-V106 PolarHBondContact O-N 3.47Å; V106-P115 HydrophobicContact CG1-CB 3.61Å
107H85.1Confident75Confident42 Ų4283.9 Ų83.919%0.19446%0.46CS..PPolyproline II helixtrans-102.1141175.1-61.4-34.1000110.5P105 I116 Y119 M165P105-H107 PolarHBondContact O-N 2.57Å; H107-I116 HydrophobicContact CB-CD1 4.16Å; H107-I116 WeakPolarHBondContact O-CB 3.46Å; H107-I116 WeakPolarHBondContact O-CG1 3.13Å; H107-I116 PolarHBondContact O-N 3.01Å; H107-Y119 HydrophobicContact CB-CE1 3.93Å; H107-Y119 WeakPolarHBondContact CB-OH 3.28Å; H107-Y119 AromaticContact CD2-CE1 3.76Å; H107-Y119 AromaticContact CD2-CZ 3.82Å; H107-Y119 PolarHBondContact CD2-OH 3.33Å; H107-Y119 VanDerWaalsContact CD2-OH 3.23Å; H107-M165 VanDerWaalsContact CD2-CE 3.41Å; H107-M165 WeakPolarHBondContact CD2-CE 3.29Å
108F88.2Confident76.3Confident129 Ų12979.8 Ų79.857%0.56644%0.439SS*.BIsolated β-bridgetrans-93.6143.2174.5-63.6-90.6000110.2P115F108-P115 HydrophobicContact CD1-CB 4.14Å; F108-P115 HydrophobicContact CE1-CB 4.01Å; F108-P115 HydrophobicContact CE1-CG 4.28Å
109C90.4Very high78.3Confident3 Ų372.4 Ų72.42%0.0240%0.4CS..PPolyproline II helixtrans-78.3122177.9-1790000110.9K111 C112 G113 L114 I116 C130 C133C109-K111 PolarHBondContact O-N 2.82Å; C109-K111 PolarHBondContact SG-N 2.87Å; C109-C112 WeakPolarHBondContact CB-SG 3.49Å; C109-G113 VanDerWaalsContact O-CA 3.28Å; C109-G113 WeakPolarHBondContact O-CA 3.39Å; C109-G113 PolarHBondContact O-N 3.29Å; C109-L114 WeakPolarHBondContact CB-O 3.48Å; C109-L114 PolarHBondContact N-O 3.39Å; C109-I116 HydrophobicContact CB-CD1 4.23Å; C109-I116 HydrophobicContact CB-CG1 3.82Å; C109-C130 HydrophobicContact CB-CB 3.94Å; C109-C130 PolarHBondContact SG-N 3.24Å; C109-C133 PolarHBondContact SG-SG 3.45Å
110D87.6Confident80.6Confident94 Ų9468.5 Ų68.550%0.50336%0.36SS..THydrogen-bonded Turntrans-63.31.6176.6-68.1-15.8000114.5F129 K173D110-F129 HydrophobicContact CB-CE1 4.23Å; D110-K173 IonicContact OD1-NZ 2.7Å; D110-K173 PolarHBondContact OD1-NZ 3.17Å; D110-K173 IonicContact OD2-NZ 2.57Å; D110-K173 PolarHBondContact OD2-NZ 3.07Å
111K88.3Confident82.5Confident111 Ų11162.7 Ų62.748%0.48333%0.333SS..THydrogen-bonded Turntrans-111.6-47.8177.4-75.6-69.8174.8-66.10114.9C109 F129 C133 P146C109-K111 PolarHBondContact O-N 2.82Å; C109-K111 PolarHBondContact SG-N 2.87Å; K111-F129 HydrophobicContact CG-CD1 4.18Å; K111-F129 HydrophobicContact CG-CE1 4.4Å; K111-C133 HydrophobicContact CB-CB 4.49Å; K111-P146 HydrophobicContact CD-CB 4.36Å; K111-P146 HydrophobicContact CG-CB 4.35Å; K111-P146 PolarHBondContact NZ-O 3.08Å
112C90.1Very high84.5Confident51 Ų5155.3 Ų55.335%0.34530%0.301SS..THydrogen-bonded Turntrans-99.1-10.9177.359.70000113.6C109 L114 C133C109-C112 WeakPolarHBondContact CB-SG 3.49Å; C112-L114 HydrophobicContact CB-CD1 4.32Å; C112-L114 HydrophobicContact CB-CG 4.18Å; C112-L114 PolarHBondContact O-N 3.44Å; C112-L114 VanDerWaalsContact O-N 3.17Å; C112-C133 PolarHBondContact SG-SG 2.05Å
113G87.8Confident86.3Confident48 Ų4853.1 Ų53.150%0.49529%0.288SS..  trans70.7-3.2-173.100000114.4C109C109-G113 VanDerWaalsContact O-CA 3.28Å; C109-G113 WeakPolarHBondContact O-CA 3.39Å; C109-G113 PolarHBondContact O-N 3.29Å
114L88.3Confident87.9Confident76 Ų7650.9 Ų50.940%0.39828%0.281SS..SBendtrans-82.2150.3-179.3-56.4176.2000111.2L89 C109 C112L89-L114 HydrophobicContact CD1-CD1 3.83Å; L89-L114 HydrophobicContact CD1-CD2 4.15Å; C109-L114 WeakPolarHBondContact CB-O 3.48Å; C109-L114 PolarHBondContact N-O 3.39Å; C112-L114 HydrophobicContact CB-CD1 4.32Å; C112-L114 HydrophobicContact CB-CG 4.18Å; C112-L114 PolarHBondContact O-N 3.44Å; C112-L114 VanDerWaalsContact O-N 3.17Å
115P87.8Confident89.1Confident32 Ų3249.4 Ų49.421%0.20827%0.272CS..BIsolated β-bridgetrans-64139.4173.422.9-27.8000111.2W91 V106 F108 K117W91-P115 HydrophobicContact CH2-CG 3.74Å; W91-P115 HydrophobicContact CZ3-CG 3.51Å; V106-P115 HydrophobicContact CG1-CB 3.61Å; F108-P115 HydrophobicContact CD1-CB 4.14Å; F108-P115 HydrophobicContact CE1-CB 4.01Å; F108-P115 HydrophobicContact CE1-CG 4.28Å; P115-K117 PolarHBondContact O-N 3.12Å
116I89.6Confident90Very high11 Ų1149.4 Ų49.46%0.05626%0.264CS..  trans-81.1104.6-171.7-60.7168.4000109.9H107 C109 I118 Y119 C130H107-I116 HydrophobicContact CB-CD1 4.16Å; H107-I116 WeakPolarHBondContact O-CB 3.46Å; H107-I116 WeakPolarHBondContact O-CG1 3.13Å; H107-I116 PolarHBondContact O-N 3.01Å; C109-I116 HydrophobicContact CB-CD1 4.23Å; C109-I116 HydrophobicContact CB-CG1 3.82Å; I116-I118 VanDerWaalsContact CG2-C 3.45Å; I116-I118 WeakPolarHBondContact CG2-O 3.21Å; I116-Y119 HydrophobicContact CB-CD1 4.06Å; I116-Y119 HydrophobicContact CB-CE1 3.76Å; I116-Y119 HydrophobicContact CD1-CD1 3.95Å; I116-Y119 HydrophobicContact CD1-CE1 3.73Å; I116-Y119 HydrophobicContact CG1-CE1 4.35Å; I116-Y119 HydrophobicContact CG2-CD1 3.38Å; I116-Y119 HydrophobicContact CG2-CD2 4.21Å; I116-Y119 HydrophobicContact CG2-CE1 3.6Å; I116-Y119 HydrophobicContact CG2-CE2 4.35Å; I116-Y119 HydrophobicContact CG2-CG 3.74Å; I116-C130 HydrophobicContact CG1-CB 4.38Å
117K86.1Confident90.4Very high97 Ų9748 Ų4842%0.42225%0.253SS..SBendtrans-66.6-47.5171.2-65-177.3169-1640111.4D92 F93 P115D92-K117 IonicContact OD2-NZ 3.34Å; D92-K117 PolarHBondContact OD2-NZ 3.47Å; F93-K117 HydrophobicContact CD1-CG 4.31Å; F93-K117 HydrophobicContact CD2-CD 3.84Å; F93-K117 HydrophobicContact CD2-CG 4.04Å; F93-K117 HydrophobicContact CE1-CB 3.9Å; F93-K117 HydrophobicContact CE1-CD 4.44Å; F93-K117 HydrophobicContact CE1-CG 3.84Å; F93-K117 HydrophobicContact CE2-CB 4.2Å; F93-K117 HydrophobicContact CE2-CD 3.26Å; F93-K117 HydrophobicContact CE2-CG 3.59Å; F93-K117 HydrophobicContact CG-CG 4.42Å; F93-K117 HydrophobicContact CZ-CB 3.59Å; F93-K117 HydrophobicContact CZ-CD 3.61Å; F93-K117 HydrophobicContact CZ-CG 3.47Å; F93-K117 VanDerWaalsContact CZ-CG 3.47Å; P115-K117 PolarHBondContact O-N 3.12Å
118I90.3Very high90.8Very high70 Ų7047 Ų4736%0.35925%0.25SC..SBendtrans-133.4131-180-57.3178.4000108.3I116 Y131 Q157I116-I118 VanDerWaalsContact CG2-C 3.45Å; I116-I118 WeakPolarHBondContact CG2-O 3.21Å; I118-Y131 HydrophobicContact CG2-CG 4.15Å; I118-Y131 WeakPolarHBondContact O-CB 3.5Å; I118-Y131 PolarHBondContact O-N 2.74Å; I118-Q157 HydrophobicContact CG2-CG 3.48Å; I118-Q157 VanDerWaalsContact CG2-CG 3.48Å
119Y92.4Very high91Very high7 Ų741 Ų413%0.02722%0.224CC..EExtended strand (participates in β ladder)trans-86.3123.7-176-69.7-79.4000111.2H107 I116 V128 C158 R160 L163H107-Y119 HydrophobicContact CB-CE1 3.93Å; H107-Y119 WeakPolarHBondContact CB-OH 3.28Å; H107-Y119 AromaticContact CD2-CE1 3.76Å; H107-Y119 AromaticContact CD2-CZ 3.82Å; H107-Y119 PolarHBondContact CD2-OH 3.33Å; H107-Y119 VanDerWaalsContact CD2-OH 3.23Å; I116-Y119 HydrophobicContact CB-CD1 4.06Å; I116-Y119 HydrophobicContact CB-CE1 3.76Å; I116-Y119 HydrophobicContact CD1-CD1 3.95Å; I116-Y119 HydrophobicContact CD1-CE1 3.73Å; I116-Y119 HydrophobicContact CG1-CE1 4.35Å; I116-Y119 HydrophobicContact CG2-CD1 3.38Å; I116-Y119 HydrophobicContact CG2-CD2 4.21Å; I116-Y119 HydrophobicContact CG2-CE1 3.6Å; I116-Y119 HydrophobicContact CG2-CE2 4.35Å; I116-Y119 HydrophobicContact CG2-CG 3.74Å; Y119-V128 HydrophobicContact CD1-CG1 3.48Å; Y119-V128 VanDerWaalsContact CD1-CG1 3.48Å; Y119-V128 HydrophobicContact CG-CG1 3.99Å; Y119-C158 WeakPolarHBondContact CB-O 3.24Å; Y119-C158 PolarHBondContact N-O 2.9Å; Y119-C158 PolarHBondContact O-N 2.84Å; Y119-R160 HydrophobicContact CE2-CB 4.13Å; Y119-R160 HydrophobicContact CE2-CG 4.31Å; Y119-L163 HydrophobicContact CD1-CD1 4.49Å; Y119-L163 HydrophobicContact CG-CD1 4.06Å
120G94.3Very high91.2Very high0 Ų041.5 Ų41.50%023%0.227CC..EExtended strand (participates in β ladder)trans-97.6106.416900000110.3V128 F129G120-V128 WeakPolarHBondContact O-CA 3.32Å; G120-F129 PolarHBondContact N-O 3.46Å; G120-F129 PolarHBondContact O-N 3.14Å
121R93.9Very high91.5Very high14 Ų1440 Ų405%0.05322%0.215CC..EExtended strand (participates in β ladder)trans-96.3121.9-174.6-177.5168.9-173.2-103.67.2111.7I123 V128 I155 E156 T175R121-I123 HydrophobicContact CG-CD1 4.11Å; R121-I123 VanDerWaalsContact NH1-CD1 3.33Å; R121-V128 HydrophobicContact CB-CG2 4.14Å; R121-V128 HydrophobicContact CG-CG2 4.03Å; R121-I155 WeakPolarHBondContact O-CA 3.39Å; R121-E156 HydrophobicContact CB-CB 4.29Å; R121-E156 WeakPolarHBondContact CB-O 3.49Å; R121-E156 PolarHBondContact N-O 2.98Å; R121-E156 IonicContact NH1-OE2 3.2Å; R121-E156 PolarHBondContact NH1-OE2 2.91Å; R121-E156 PolarHBondContact O-N 2.88Å; R121-T175 PolarHBondContact NE-OG1 3.41Å; R121-T175 PolarHBondContact NH2-O 2.75Å
122M94.3Very high91.7Very high4 Ų439.8 Ų39.82%0.0222%0.219CC..EExtended strand (participates in β ladder)trans-79.8120.3-178.9-53.1-86.678.600110.6C125 K126 H127 F129 A134 V152 I155M122-C125 WeakPolarHBondContact CB-SG 3.47Å; M122-C125 PolarHBondContact O-N 3.32Å; M122-K126 WeakPolarHBondContact O-CA 3.17Å; M122-K126 PolarHBondContact O-N 3.37Å; M122-H127 WeakPolarHBondContact CB-O 3.47Å; M122-H127 HydrophobicContact CG-CB 4.42Å; M122-H127 WeakPolarHBondContact CG-O 3.37Å; M122-H127 PolarHBondContact N-O 2.95Å; M122-F129 HydrophobicContact CG-CD2 3.95Å; M122-F129 HydrophobicContact CG-CE2 3.84Å; M122-F129 HydrophobicContact SD-CD2 4.18Å; M122-F129 HydrophobicContact SD-CE2 4.21Å; M122-A134 HydrophobicContact CE-CB 3.89Å; M122-V152 HydrophobicContact CB-CG2 4.28Å; M122-V152 HydrophobicContact CE-CG1 3.95Å; M122-V152 HydrophobicContact SD-CG1 4.19Å; M122-V152 HydrophobicContact SD-CG2 3.71Å; M122-I155 HydrophobicContact CE-CB 4.2Å; M122-I155 HydrophobicContact CE-CD1 3.65Å; M122-I155 HydrophobicContact CE-CG1 3.54Å; M122-I155 HydrophobicContact CE-CG2 3.94Å
123I93.9Very high91.9Very high16 Ų1638.4 Ų38.48%0.08221%0.21CC..EExtended strand (participates in β ladder)trans-103.4131175.3-50.9-56.3000109.1R121 V152 Q153 R154 E156R121-I123 HydrophobicContact CG-CD1 4.11Å; R121-I123 VanDerWaalsContact NH1-CD1 3.33Å; I123-V152 CarbonylContact O-C 3.59Å; I123-V152 WeakPolarHBondContact O-CA 3.48Å; I123-Q153 PolarHBondContact O-N 3.28Å; I123-R154 HydrophobicContact CB-CG 3.81Å; I123-R154 HydrophobicContact CG1-CG 3.89Å; I123-R154 HydrophobicContact CG2-CG 4.36Å; I123-R154 PolarHBondContact N-O 3.08Å; I123-E156 HydrophobicContact CD1-CG 4.19Å; I123-E156 WeakPolarHBondContact CD1-OE2 3.49Å; I123-E156 HydrophobicContact CG1-CB 4.42Å; I123-E156 HydrophobicContact CG1-CG 3.82Å
124P93.4Very high92.2Very high79 Ų7936.1 Ų36.151%0.51319%0.186SC..THydrogen-bonded Turncis-96.4-3.710.237.3-34.9000115.7K126 P151P124-K126 VanDerWaalsContact C-N 3.3Å; P124-K126 WeakPolarHBondContact O-CG 3.27Å; P124-K126 PolarHBondContact O-N 3.44Å; P124-P151 WeakPolarHBondContact CD-O 3.21Å
125C92.3Very high92.4Very high12 Ų1235.3 Ų35.38%0.08118%0.181CC..THydrogen-bonded Turntrans-73.6-12.6-167.967.90000115.6M122 H127 C145 D150M122-C125 WeakPolarHBondContact CB-SG 3.47Å; M122-C125 PolarHBondContact O-N 3.32Å; C125-H127 PolarHBondContact O-N 2.86Å; C125-C145 PolarHBondContact SG-SG 3.46Å; C125-D150 HydrophobicContact CB-CB 3.79Å; C125-D150 VanDerWaalsContact CB-OD2 3.25Å; C125-D150 WeakPolarHBondContact CB-OD2 3.15Å
126K93.1Very high92.6Very high79 Ų7939.3 Ų39.334%0.34320%0.201SC..  trans66.715.2174.5-44.9-175.2-180-177.60115.7M122 P124 T175 Y176M122-K126 WeakPolarHBondContact O-CA 3.17Å; M122-K126 PolarHBondContact O-N 3.37Å; P124-K126 VanDerWaalsContact C-N 3.3Å; P124-K126 WeakPolarHBondContact O-CG 3.27Å; P124-K126 PolarHBondContact O-N 3.44Å; K126-T175 WeakPolarHBondContact CB-O 3.03Å; K126-T175 PolarHBondContact O-N 3.43Å; K126-T175 PolarHBondContact O-OG1 2.86Å; K126-Y176 HydrophobicContact CD-CD1 4.3Å; K126-Y176 HydrophobicContact CD-CE1 3.86Å
127H91.9Very high92.6Very high33 Ų3341 Ų4115%0.15321%0.208CC..  trans-75.3156.8166.7-66.8104.6000110.9M122 C125 F129 C148M122-H127 WeakPolarHBondContact CB-O 3.47Å; M122-H127 HydrophobicContact CG-CB 4.42Å; M122-H127 WeakPolarHBondContact CG-O 3.37Å; M122-H127 PolarHBondContact N-O 2.95Å; C125-H127 PolarHBondContact O-N 2.86Å; H127-F129 HydrophobicContact CB-CE2 4.12Å; H127-F129 HydrophobicContact CB-CZ 4.41Å; H127-C148 VanDerWaalsContact CE1-CB 3.49Å; H127-C148 WeakPolarHBondContact CE1-CB 3.47Å; H127-C148 PolarHBondContact CE1-SG 2.9Å; H127-C148 PolarHBondContact ND1-SG 3.4Å
128V92.2Very high92.7Very high20 Ų2040.3 Ų40.312%0.12121%0.207CC..EExtended strand (participates in β ladder)trans-140.6137-172.1-168.70000110.4Y119 G120 R121 L163 T175Y119-V128 HydrophobicContact CD1-CG1 3.48Å; Y119-V128 VanDerWaalsContact CD1-CG1 3.48Å; Y119-V128 HydrophobicContact CG-CG1 3.99Å; G120-V128 WeakPolarHBondContact O-CA 3.32Å; R121-V128 HydrophobicContact CB-CG2 4.14Å; R121-V128 HydrophobicContact CG-CG2 4.03Å; V128-L163 HydrophobicContact CG1-CD1 4.25Å; V128-L163 HydrophobicContact CG2-CD1 4.22Å; V128-T175 HydrophobicContact CB-CG2 4.23Å; V128-T175 HydrophobicContact CG2-CG2 3.4Å; V128-T175 VanDerWaalsContact CG2-CG2 3.4Å; V128-T175 WeakPolarHBondContact CG2-OG1 3.36Å
129F93.3Very high92.7Very high4 Ų445.6 Ų45.62%0.01823%0.227CC..EExtended strand (participates in β ladder)trans-129.8-178.9178.3-58.6-78.3000109.6D110 K111 G120 M122 H127 C133 P146D110-F129 HydrophobicContact CB-CE1 4.23Å; K111-F129 HydrophobicContact CG-CD1 4.18Å; K111-F129 HydrophobicContact CG-CE1 4.4Å; G120-F129 PolarHBondContact N-O 3.46Å; G120-F129 PolarHBondContact O-N 3.14Å; M122-F129 HydrophobicContact CG-CD2 3.95Å; M122-F129 HydrophobicContact CG-CE2 3.84Å; M122-F129 HydrophobicContact SD-CD2 4.18Å; M122-F129 HydrophobicContact SD-CE2 4.21Å; H127-F129 HydrophobicContact CB-CE2 4.12Å; H127-F129 HydrophobicContact CB-CZ 4.41Å; F129-C133 HydrophobicContact CB-CB 4.37Å; F129-P146 HydrophobicContact CD2-CG 4.09Å; F129-P146 HydrophobicContact CE1-CB 4.41Å; F129-P146 HydrophobicContact CE2-CB 4.3Å; F129-P146 HydrophobicContact CE2-CG 3.76Å; F129-P146 HydrophobicContact CZ-CB 4.04Å; F129-P146 HydrophobicContact CZ-CG 4.01Å
130C93.7Very high92.6Very high13 Ų1352.8 Ų52.89%0.08826%0.258CS..EExtended strand (participates in β ladder)trans-60.9138.8163.399.60000109.3C109 I116 D132 C133 A134C109-C130 HydrophobicContact CB-CB 3.94Å; C109-C130 PolarHBondContact SG-N 3.24Å; I116-C130 HydrophobicContact CG1-CB 4.38Å; C130-D132 VanDerWaalsContact C-N 3.28Å; C130-D132 PolarHBondContact O-N 3.33Å; C130-C133 HydrophobicContact CB-CB 4.12Å; C130-C133 WeakPolarHBondContact CB-SG 3.44Å; C130-C133 VanDerWaalsContact O-CB 3.24Å; C130-C133 WeakPolarHBondContact O-CB 3.45Å; C130-C133 PolarHBondContact O-N 2.9Å; C130-C133 VanDerWaalsContact O-N 3.08Å; C130-C133 WeakPolarHBondContact SG-CB 3.48Å; C130-C133 PolarHBondContact SG-N 2.72Å; C130-C133 CovalentContact SG-SG 2.05Å; C130-C133 PolarHBondContact SG-SG 2.74Å; C130-A134 PolarHBondContact O-N 2.7Å
131Y94.1Very high92.1Very high62 Ų6255.2 Ų55.224%0.24328%0.283CS..Hα-helixtrans-56.9-43.1-176.3-178.1-109000111.8I118 C133 A134 I135 I155 Q157I118-Y131 HydrophobicContact CG2-CG 4.15Å; I118-Y131 WeakPolarHBondContact O-CB 3.5Å; I118-Y131 PolarHBondContact O-N 2.74Å; Y131-C133 VanDerWaalsContact C-N 3.32Å; Y131-C133 PolarHBondContact O-N 3.08Å; Y131-A134 WeakPolarHBondContact O-CB 3.41Å; Y131-A134 PolarHBondContact O-N 3.23Å; Y131-A134 VanDerWaalsContact O-N 3.14Å; Y131-I135 HydrophobicContact CD1-CG1 4.26Å; Y131-I135 HydrophobicContact CD2-CG1 4.27Å; Y131-I135 HydrophobicContact CE1-CD1 4.44Å; Y131-I135 HydrophobicContact CE1-CG1 3.88Å; Y131-I135 HydrophobicContact CE2-CD1 3.97Å; Y131-I135 HydrophobicContact CE2-CG1 3.88Å; Y131-I135 HydrophobicContact CG-CG1 4.44Å; Y131-I135 WeakPolarHBondContact O-CG1 3.43Å; Y131-I135 PolarHBondContact O-N 3.04Å; Y131-I155 HydrophobicContact CE2-CG2 4.4Å; Y131-Q157 HydrophobicContact CD2-CB 4.01Å; Y131-Q157 HydrophobicContact CD2-CG 3.89Å; Y131-Q157 HydrophobicContact CE2-CB 3.7Å; Y131-Q157 HydrophobicContact CE2-CG 3.91Å; Y131-Q157 HydrophobicContact CG-CG 4.28Å
132D93.7Very high91.6Very high107 Ų10757.3 Ų57.357%0.57230%0.295SS*.Hα-helixtrans-59.7-42.9176.5-43.4-61.4000111.5C130 A134 I135 L136C130-D132 VanDerWaalsContact C-N 3.28Å; C130-D132 PolarHBondContact O-N 3.33Å; D132-A134 VanDerWaalsContact C-N 3.31Å; D132-A134 PolarHBondContact O-N 3.18Å; D132-I135 PolarHBondContact O-N 2.88Å; D132-L136 VanDerWaalsContact O-CB 3.27Å; D132-L136 WeakPolarHBondContact O-CB 3.34Å; D132-L136 WeakPolarHBondContact O-CD1 3.41Å; D132-L136 WeakPolarHBondContact O-CG 3.49Å; D132-L136 PolarHBondContact O-N 2.8Å
133C93.7Very high91.4Very high22 Ų2263.8 Ų63.815%0.14932%0.324CS..Hα-helixtrans-61.6-40.9177.3-52.60000111.6C109 K111 C112 F129 C130 Y131 H137C109-C133 PolarHBondContact SG-SG 3.45Å; K111-C133 HydrophobicContact CB-CB 4.49Å; C112-C133 PolarHBondContact SG-SG 2.05Å; F129-C133 HydrophobicContact CB-CB 4.37Å; C130-C133 HydrophobicContact CB-CB 4.12Å; C130-C133 WeakPolarHBondContact CB-SG 3.44Å; C130-C133 VanDerWaalsContact O-CB 3.24Å; C130-C133 WeakPolarHBondContact O-CB 3.45Å; C130-C133 PolarHBondContact O-N 2.9Å; C130-C133 VanDerWaalsContact O-N 3.08Å; C130-C133 WeakPolarHBondContact SG-CB 3.48Å; C130-C133 PolarHBondContact SG-N 2.72Å; C130-C133 CovalentContact SG-SG 2.05Å; C130-C133 PolarHBondContact SG-SG 2.74Å; Y131-C133 VanDerWaalsContact C-N 3.32Å; Y131-C133 PolarHBondContact O-N 3.08Å; C133-H137 PolarHBondContact O-N 3.24Å
134A93.4Very high91.4Very high0 Ų067.6 Ų67.60%034%0.342CS..Hα-helixtrans-69.4-46.8-179.400000110.8M122 C130 Y131 D132 H137 E138 I155M122-A134 HydrophobicContact CE-CB 3.89Å; C130-A134 PolarHBondContact O-N 2.7Å; Y131-A134 WeakPolarHBondContact O-CB 3.41Å; Y131-A134 PolarHBondContact O-N 3.23Å; Y131-A134 VanDerWaalsContact O-N 3.14Å; D132-A134 VanDerWaalsContact C-N 3.31Å; D132-A134 PolarHBondContact O-N 3.18Å; A134-H137 WeakPolarHBondContact O-CB 3.18Å; A134-H137 PolarHBondContact O-N 2.87Å; A134-E138 PolarHBondContact O-N 3.36Å; A134-E138 VanDerWaalsContact O-N 3.08Å; A134-I155 VanDerWaalsContact C-CD1 3.41Å; A134-I155 HydrophobicContact CB-CD1 3.92Å; A134-I155 HydrophobicContact CB-CG2 3.91Å; A134-I155 WeakPolarHBondContact O-CD1 3.38Å
135I92.8Very high91.3Very high59 Ų5964 Ų6430%0.30332%0.319SS..Hα-helixtrans-66.1-39.2177.7-64.6-71.4000111.7Y131 D132 H137 E138 K139 I155Y131-I135 HydrophobicContact CD1-CG1 4.26Å; Y131-I135 HydrophobicContact CD2-CG1 4.27Å; Y131-I135 HydrophobicContact CE1-CD1 4.44Å; Y131-I135 HydrophobicContact CE1-CG1 3.88Å; Y131-I135 HydrophobicContact CE2-CD1 3.97Å; Y131-I135 HydrophobicContact CE2-CG1 3.88Å; Y131-I135 HydrophobicContact CG-CG1 4.44Å; Y131-I135 WeakPolarHBondContact O-CG1 3.43Å; Y131-I135 PolarHBondContact O-N 3.04Å; D132-I135 PolarHBondContact O-N 2.88Å; I135-H137 VanDerWaalsContact C-N 3.29Å; I135-H137 PolarHBondContact O-N 3.41Å; I135-E138 PolarHBondContact O-N 3.23Å; I135-K139 VanDerWaalsContact O-CB 3.32Å; I135-K139 WeakPolarHBondContact O-CB 3.49Å; I135-K139 PolarHBondContact O-N 3.06Å; I135-I155 HydrophobicContact CD1-CD1 4.2Å
136L92.1Very high91.1Very high117 Ų11764.5 Ų64.561%0.61332%0.322SS*.Hα-helixtrans-61-38.1173.8-76.2168.9000112D132 K140D132-L136 VanDerWaalsContact O-CB 3.27Å; D132-L136 WeakPolarHBondContact O-CB 3.34Å; D132-L136 WeakPolarHBondContact O-CD1 3.41Å; D132-L136 WeakPolarHBondContact O-CG 3.49Å; D132-L136 PolarHBondContact O-N 2.8Å; L136-K140 WeakPolarHBondContact O-CB 3.33Å; L136-K140 PolarHBondContact O-N 3.28Å
137H89.1Confident90.9Very high46 Ų4663.3 Ų63.321%0.21333%0.332CS..Hα-helixtrans-67.3-45.1176.8-153.5-90.6000111.9C133 A134 I135 K140 D142 M144C133-H137 PolarHBondContact O-N 3.24Å; A134-H137 WeakPolarHBondContact O-CB 3.18Å; A134-H137 PolarHBondContact O-N 2.87Å; I135-H137 VanDerWaalsContact C-N 3.29Å; I135-H137 PolarHBondContact O-N 3.41Å; H137-K140 WeakPolarHBondContact O-CB 3.38Å; H137-K140 PolarHBondContact O-N 3.06Å; H137-D142 WeakPolarHBondContact CE1-CB 3.37Å; H137-D142 WeakPolarHBondContact ND1-CB 3.35Å; H137-D142 PolarHBondContact ND1-O 3.01Å; H137-D142 PolarHBondContact O-N 2.85Å; H137-M144 PolarHBondContact CE1-O 3.45Å; H137-M144 PolarHBondContact ND1-O 3.41Å
138E89.7Confident90.7Very high83 Ų8363.8 Ų63.839%0.38834%0.338SS..Hα-helixtrans-63.4-42.1175.2178.8173.3-109.200112A134 I135 K140 G141 I155A134-E138 PolarHBondContact O-N 3.36Å; A134-E138 VanDerWaalsContact O-N 3.08Å; I135-E138 PolarHBondContact O-N 3.23Å; E138-K140 VanDerWaalsContact C-N 3.27Å; E138-K140 PolarHBondContact O-N 3.36Å; E138-G141 PolarHBondContact O-N 3.37Å; E138-I155 HydrophobicContact CB-CD1 3.75Å; E138-I155 HydrophobicContact CG-CD1 4.46Å
139K90.2Very high90.7Very high180 Ų18066.9 Ų66.978%0.78336%0.361SS*.Hα-helixtrans-63.4-31.1176.4-175.5178.3177.7-175.80112.8I135 G141I135-K139 VanDerWaalsContact O-CB 3.32Å; I135-K139 WeakPolarHBondContact O-CB 3.49Å; I135-K139 PolarHBondContact O-N 3.06Å; K139-G141 PolarHBondContact O-N 3.22Å
140K90.6Very high90.6Very high158 Ų15870.1 Ų70.169%0.68738%0.378SS*.THydrogen-bonded Turntrans-69-9.6175.5-168169.8164.3-1120113.1L136 H137 E138 D142L136-K140 WeakPolarHBondContact O-CB 3.33Å; L136-K140 PolarHBondContact O-N 3.28Å; H137-K140 WeakPolarHBondContact O-CB 3.38Å; H137-K140 PolarHBondContact O-N 3.06Å; E138-K140 VanDerWaalsContact C-N 3.27Å; E138-K140 PolarHBondContact O-N 3.36Å; K140-D142 VanDerWaalsContact C-N 3.32Å; K140-D142 WeakPolarHBondContact CD-OD2 3.4Å; K140-D142 WeakPolarHBondContact CE-OD2 3.41Å; K140-D142 IonicContact NZ-OD2 2.72Å; K140-D142 PolarHBondContact NZ-OD2 2.66Å
141G83.2Confident90.6Very high51 Ų5173.6 Ų73.653%0.52640%0.401SS..THydrogen-bonded Turntrans91.4-6.2-174.800000113.3E138 K139 K143E138-G141 PolarHBondContact O-N 3.37Å; K139-G141 PolarHBondContact O-N 3.22Å; G141-K143 PolarHBondContact O-N 3.47Å
142D83.7Confident90.7Very high58 Ų5871.6 Ų71.631%0.3140%0.395SS..  trans-77.781.3-177.1-67-37.7000110.5H137 K140 M144H137-D142 WeakPolarHBondContact CE1-CB 3.37Å; H137-D142 WeakPolarHBondContact ND1-CB 3.35Å; H137-D142 PolarHBondContact ND1-O 3.01Å; H137-D142 PolarHBondContact O-N 2.85Å; K140-D142 VanDerWaalsContact C-N 3.32Å; K140-D142 WeakPolarHBondContact CD-OD2 3.4Å; K140-D142 WeakPolarHBondContact CE-OD2 3.41Å; K140-D142 IonicContact NZ-OD2 2.72Å; K140-D142 PolarHBondContact NZ-OD2 2.66Å; D142-M144 PolarHBondContact O-N 2.99Å
143K89.9Confident90.7Very high141 Ų14173.4 Ų73.461%0.61340%0.4SS*.  trans-69.124.5175.5-60.5-173.6-177.4-610114.1G141 P151 V152G141-K143 PolarHBondContact O-N 3.47Å; K143-P151 CarbonylContact O-C 3.57Å; K143-P151 WeakPolarHBondContact O-CA 3.46Å; K143-V152 PolarHBondContact O-N 3.03Å
144M92.9Very high90.7Very high96 Ų9677.7 Ų77.747%0.47341%0.413SS..BIsolated β-bridgetrans-121.4139.7-174.5-57.5-60.2-92.400109.4H137 D142 P146 S149 D150 P151H137-M144 PolarHBondContact CE1-O 3.45Å; H137-M144 PolarHBondContact ND1-O 3.41Å; D142-M144 PolarHBondContact O-N 2.99Å; M144-P146 WeakPolarHBondContact O-CD 3.03Å; M144-S149 WeakPolarHBondContact CE-O 3.47Å; M144-D150 CarbonylContact C-O 3.59Å; M144-P151 HydrophobicContact SD-CB 4.09Å
145C92.1Very high90.7Very high3 Ų378.9 Ų78.92%0.0242%0.419CS..  trans-68.9124.4-174.3174.40000110C125 G147 C148 S149 D150 V152C125-C145 PolarHBondContact SG-SG 3.46Å; C145-G147 PolarHBondContact O-N 2.9Å; C145-C148 VanDerWaalsContact CB-SG 3.55Å; C145-C148 PolarHBondContact O-N 3.3Å; C145-C148 PolarHBondContact SG-SG 3.21Å; C145-S149 WeakPolarHBondContact O-CA 3.48Å; C145-S149 PolarHBondContact O-N 3.36Å; C145-D150 HydrophobicContact CB-CB 4.45Å; C145-D150 VanDerWaalsContact CB-O 3.29Å; C145-D150 WeakPolarHBondContact CB-O 3.49Å; C145-D150 PolarHBondContact N-O 3.47Å; C145-V152 HydrophobicContact CB-CG2 3.88Å
146P88.9Confident90.8Very high23 Ų2378.4 Ų78.415%0.14942%0.416CS..THydrogen-bonded Turntrans-66.9-0.7-175.5-1.43.6000116.1K111 F129 M144K111-P146 HydrophobicContact CD-CB 4.36Å; K111-P146 HydrophobicContact CG-CB 4.35Å; K111-P146 PolarHBondContact NZ-O 3.08Å; F129-P146 HydrophobicContact CD2-CG 4.09Å; F129-P146 HydrophobicContact CE1-CB 4.41Å; F129-P146 HydrophobicContact CE2-CB 4.3Å; F129-P146 HydrophobicContact CE2-CG 3.76Å; F129-P146 HydrophobicContact CZ-CB 4.04Å; F129-P146 HydrophobicContact CZ-CG 4.01Å; M144-P146 WeakPolarHBondContact O-CD 3.03Å
147G87.1Confident90.9Very high53 Ų5378.2 Ų78.255%0.54641%0.412SS..THydrogen-bonded Turntrans-115.5-28.9179.500000115.1C145C145-G147 PolarHBondContact O-N 2.9Å
148C89Confident90.9Very high43 Ų4376.5 Ų76.529%0.29141%0.405SS..THydrogen-bonded Turntrans-130.1-1.2-178.261.80000114.2H127 C145 D150H127-C148 VanDerWaalsContact CE1-CB 3.49Å; H127-C148 WeakPolarHBondContact CE1-CB 3.47Å; H127-C148 PolarHBondContact CE1-SG 2.9Å; H127-C148 PolarHBondContact ND1-SG 3.4Å; C145-C148 VanDerWaalsContact CB-SG 3.55Å; C145-C148 PolarHBondContact O-N 3.3Å; C145-C148 PolarHBondContact SG-SG 3.21Å; C148-D150 PolarHBondContact O-N 2.85Å; C148-D150 VanDerWaalsContact O-N 3.1Å; C148-D150 PolarHBondContact SG-OD2 3.46Å
149S90.8Very high90.7Very high86 Ų8677.4 Ų77.460%0.60142%0.416SS*.  trans62.19.9-176.4-43.80000115.2M144 C145M144-S149 WeakPolarHBondContact CE-O 3.47Å; C145-S149 WeakPolarHBondContact O-CA 3.48Å; C145-S149 PolarHBondContact O-N 3.36Å
150D92.4Very high90.1Very high71 Ų7173 Ų7338%0.3839%0.394SS..PPolyproline II helixtrans-68.4144.7174.3-70.1-35.9000111.5C125 M144 C145 C148 V152C125-D150 HydrophobicContact CB-CB 3.79Å; C125-D150 VanDerWaalsContact CB-OD2 3.25Å; C125-D150 WeakPolarHBondContact CB-OD2 3.15Å; M144-D150 CarbonylContact C-O 3.59Å; C145-D150 HydrophobicContact CB-CB 4.45Å; C145-D150 VanDerWaalsContact CB-O 3.29Å; C145-D150 WeakPolarHBondContact CB-O 3.49Å; C145-D150 PolarHBondContact N-O 3.47Å; C148-D150 PolarHBondContact O-N 2.85Å; C148-D150 VanDerWaalsContact O-N 3.1Å; C148-D150 PolarHBondContact SG-OD2 3.46Å; D150-V152 PolarHBondContact O-N 3.3Å
151P94.1Very high89.6Confident86 Ų8667.5 Ų67.556%0.55838%0.383SS*.BIsolated β-bridgetrans-61.6132.3175.625.6-34.3000112.2P124 K143 M144P124-P151 WeakPolarHBondContact CD-O 3.21Å; K143-P151 CarbonylContact O-C 3.57Å; K143-P151 WeakPolarHBondContact O-CA 3.46Å; M144-P151 HydrophobicContact SD-CB 4.09Å
152V94.9Very high89.6Confident20 Ų2067 Ų6712%0.12137%0.371CS..PPolyproline II helixtrans-97.4118.5179.4-178.40000108.9M122 I123 K143 C145 D150 R154 I155M122-V152 HydrophobicContact CB-CG2 4.28Å; M122-V152 HydrophobicContact CE-CG1 3.95Å; M122-V152 HydrophobicContact SD-CG1 4.19Å; M122-V152 HydrophobicContact SD-CG2 3.71Å; I123-V152 CarbonylContact O-C 3.59Å; I123-V152 WeakPolarHBondContact O-CA 3.48Å; K143-V152 PolarHBondContact O-N 3.03Å; C145-V152 HydrophobicContact CB-CG2 3.88Å; D150-V152 PolarHBondContact O-N 3.3Å; V152-R154 WeakPolarHBondContact CG1-O 3.28Å; V152-I155 HydrophobicContact CG1-CG1 4.42Å
153Q94.3Very high89.8Confident145 Ų14565.4 Ų65.468%0.67836%0.363SS*.SBendtrans-82.8-37.1177.2-170.6-175.82700112.2I123I123-Q153 PolarHBondContact O-N 3.28Å
154R93.4Very high89.8Confident112 Ų11262.2 Ų62.242%0.42335%0.349SS..EExtended strand (participates in β ladder)trans-162.2164.2177.164.4174.4-177.6-83.41.5110.9I123 V152 E156I123-R154 HydrophobicContact CB-CG 3.81Å; I123-R154 HydrophobicContact CG1-CG 3.89Å; I123-R154 HydrophobicContact CG2-CG 4.36Å; I123-R154 PolarHBondContact N-O 3.08Å; V152-R154 WeakPolarHBondContact CG1-O 3.28Å; R154-E156 IonicContact CZ-OE1 2.7Å; R154-E156 IonicContact NE-OE1 3.61Å; R154-E156 PolarHBondContact NE-OE1 2.97Å; R154-E156 IonicContact NH2-OE1 2.86Å; R154-E156 PolarHBondContact NH2-OE1 3.29Å
155I94.5Very high89.6Confident26 Ų2660.1 Ų60.113%0.13334%0.339CS..EExtended strand (participates in β ladder)trans-107.8121.2172-45.5-170.1000108.7R121 M122 Y131 A134 I135 E138 V152R121-I155 WeakPolarHBondContact O-CA 3.39Å; M122-I155 HydrophobicContact CE-CB 4.2Å; M122-I155 HydrophobicContact CE-CD1 3.65Å; M122-I155 HydrophobicContact CE-CG1 3.54Å; M122-I155 HydrophobicContact CE-CG2 3.94Å; Y131-I155 HydrophobicContact CE2-CG2 4.4Å; A134-I155 VanDerWaalsContact C-CD1 3.41Å; A134-I155 HydrophobicContact CB-CD1 3.92Å; A134-I155 HydrophobicContact CB-CG2 3.91Å; A134-I155 WeakPolarHBondContact O-CD1 3.38Å; I135-I155 HydrophobicContact CD1-CD1 4.2Å; E138-I155 HydrophobicContact CB-CD1 3.75Å; E138-I155 HydrophobicContact CG-CD1 4.46Å; V152-I155 HydrophobicContact CG1-CG1 4.42Å
156E94.3Very high89.6Confident49 Ų4960.1 Ų60.123%0.22934%0.339CS..EExtended strand (participates in β ladder)trans-94.8128.2171.5-75172.8-177.800109.5R121 I123 R154R121-E156 HydrophobicContact CB-CB 4.29Å; R121-E156 WeakPolarHBondContact CB-O 3.49Å; R121-E156 PolarHBondContact N-O 2.98Å; R121-E156 IonicContact NH1-OE2 3.2Å; R121-E156 PolarHBondContact NH1-OE2 2.91Å; R121-E156 PolarHBondContact O-N 2.88Å; I123-E156 HydrophobicContact CD1-CG 4.19Å; I123-E156 WeakPolarHBondContact CD1-OE2 3.49Å; I123-E156 HydrophobicContact CG1-CB 4.42Å; I123-E156 HydrophobicContact CG1-CG 3.82Å; R154-E156 IonicContact CZ-OE1 2.7Å; R154-E156 IonicContact NE-OE1 3.61Å; R154-E156 PolarHBondContact NE-OE1 2.97Å; R154-E156 IonicContact NH2-OE1 2.86Å; R154-E156 PolarHBondContact NH2-OE1 3.29Å
157Q93.8Very high89.5Confident112 Ų11263.9 Ų63.952%0.52337%0.366SS..EExtended strand (participates in β ladder)trans-80.7126.5171.9-169.3179.6-11.400109.2I118 Y131I118-Q157 HydrophobicContact CG2-CG 3.48Å; I118-Q157 VanDerWaalsContact CG2-CG 3.48Å; Y131-Q157 HydrophobicContact CD2-CB 4.01Å; Y131-Q157 HydrophobicContact CD2-CG 3.89Å; Y131-Q157 HydrophobicContact CE2-CB 3.7Å; Y131-Q157 HydrophobicContact CE2-CG 3.91Å; Y131-Q157 HydrophobicContact CG-CG 4.28Å
158C89.9Confident89.6Confident11 Ų1165.6 Ų65.67%0.07436%0.362CS..EExtended strand (participates in β ladder)trans-126.1140.6179.4-570000110.8Y119 L163Y119-C158 WeakPolarHBondContact CB-O 3.24Å; Y119-C158 PolarHBondContact N-O 2.9Å; Y119-C158 PolarHBondContact O-N 2.84Å; C158-L163 HydrophobicContact CB-CD1 3.64Å; C158-L163 HydrophobicContact CB-CD2 4.39Å; C158-L163 HydrophobicContact CB-CG 3.93Å
159T85.3Confident89.4Confident101 Ų10167 Ų6762%0.6237%0.369SS*.  trans-83157.2176.2500000111.4G161 S162T159-G161 PolarHBondContact O-N 2.85Å; T159-S162 PolarHBondContact N-OG 3.47Å; T159-S162 WeakPolarHBondContact O-CB 3.34Å; T159-S162 PolarHBondContact O-N 2.92Å; T159-S162 PolarHBondContact O-OG 3.34Å
160R77.5Confident88.9Confident87 Ų8771.9 Ų71.933%0.32838%0.382SS..THydrogen-bonded Turntrans-57.9135.5171.6-170.7159.283.5109.9-1.7109.8D102 T104 Y119D102-R160 IonicContact OD1-NH1 2.69Å; D102-R160 IonicContact OD2-CZ 3.41Å; D102-R160 VanDerWaalsContact OD2-CZ 3.23Å; D102-R160 IonicContact OD2-NH1 2.83Å; D102-R160 PolarHBondContact OD2-NH1 2.83Å; D102-R160 IonicContact OD2-NH2 3.23Å; D102-R160 PolarHBondContact OD2-NH2 3.19Å; T104-R160 HydrophobicContact CG2-CG 3.41Å; T104-R160 VanDerWaalsContact CG2-CG 3.41Å; T104-R160 PolarHBondContact O-NH1 3.33Å; Y119-R160 HydrophobicContact CE2-CB 4.13Å; Y119-R160 HydrophobicContact CE2-CG 4.31Å
161G79.3Confident88.3Confident44 Ų4471.8 Ų71.845%0.45440%0.397SS..THydrogen-bonded Turntrans89.7-14.3-176.600000115.6T159T159-G161 PolarHBondContact O-N 2.85Å
162S82.6Confident88Confident39 Ų3968.6 Ų68.627%0.27338%0.377SS..SBendtrans-86.9-3.9178.769.40000115.1T159T159-S162 PolarHBondContact N-OG 3.47Å; T159-S162 WeakPolarHBondContact O-CB 3.34Å; T159-S162 PolarHBondContact O-N 2.92Å; T159-S162 PolarHBondContact O-OG 3.34Å
163L89.3Confident87.7Confident25 Ų2571.8 Ų71.813%0.13139%0.389CS..  trans-126.1129.7-174.4-69.3175.9000111.9Y119 V128 C158 Y176 L177Y119-L163 HydrophobicContact CD1-CD1 4.49Å; Y119-L163 HydrophobicContact CG-CD1 4.06Å; V128-L163 HydrophobicContact CG1-CD1 4.25Å; V128-L163 HydrophobicContact CG2-CD1 4.22Å; C158-L163 HydrophobicContact CB-CD1 3.64Å; C158-L163 HydrophobicContact CB-CD2 4.39Å; C158-L163 HydrophobicContact CB-CG 3.93Å; L163-Y176 WeakPolarHBondContact CA-O 3.39Å; L163-L177 HydrophobicContact CD2-CD2 3.87Å
164F89.8Confident87.4Confident75 Ų7569.3 Ų69.333%0.32937%0.374SS..EExtended strand (participates in β ladder)trans-101.7115.5174.2-62.1-90.7000109T175 Y176 Q179 L182F164-T175 WeakPolarHBondContact O-CA 3.29Å; F164-Y176 PolarHBondContact N-O 2.89Å; F164-Y176 PolarHBondContact O-N 3.32Å; F164-Q179 HydrophobicContact CD1-CB 4.06Å; F164-Q179 HydrophobicContact CE1-CB 3.94Å; F164-Q179 HydrophobicContact CG-CB 4.49Å; F164-Q179 HydrophobicContact CZ-CB 4.28Å; F164-L182 HydrophobicContact CB-CB 3.99Å; F164-L182 HydrophobicContact CB-CD2 3.77Å; F164-L182 HydrophobicContact CB-CG 4.48Å
165M89.2Confident87.4Confident51 Ų5164 Ų6425%0.25135%0.354SS..EExtended strand (participates in β ladder)trans-99136.4-176.9-174.3-179.4-68.500112H107 S167 K173 T175H107-M165 VanDerWaalsContact CD2-CE 3.41Å; H107-M165 WeakPolarHBondContact CD2-CE 3.29Å; M165-S167 PolarHBondContact O-N 2.99Å; M165-K173 HydrophobicContact SD-CB 4.39Å; M165-T175 HydrophobicContact CB-CG2 4.24Å; M165-T175 HydrophobicContact CE-CG2 4Å; M165-T175 HydrophobicContact CG-CG2 4.22Å
166C90.9Very high87.3Confident3 Ų363.9 Ų63.92%0.0235%0.352CS..  trans-77.9119.5174-167.30000112.9K173 R174 L182 H185 H190C166-K173 PolarHBondContact O-N 3.41Å; C166-R174 PolarHBondContact N-O 3.08Å; C166-L182 HydrophobicContact CB-CD1 3.55Å; C166-H185 WeakPolarHBondContact CB-NE2 3.41Å; C166-H185 PolarHBondContact SG-NE2 3.12Å; C166-H185 VanDerWaalsContact SG-NE2 3.38Å; C166-H190 VanDerWaalsContact SG-CD2 3.5Å; C166-H190 PolarHBondContact SG-NE2 3.07Å
167S88.1Confident87.1Confident103 Ų10366.3 Ų66.372%0.7237%0.366SS*.  trans-111.3-2.6177.354.60000114.4M165 V169M165-S167 PolarHBondContact O-N 2.99Å; S167-V169 PolarHBondContact O-N 3.37Å
168I87.5Confident87Confident89 Ų8962.7 Ų62.746%0.45635%0.353SS..SBendtrans-62-39.3-170.9-58.9-58.7000113.2I186 H190 M191I168-I186 HydrophobicContact CD1-CD1 4.21Å; I168-I186 HydrophobicContact CG1-CB 4.49Å; I168-I186 HydrophobicContact CG1-CD1 3.68Å; I168-I186 HydrophobicContact CG1-CG1 3.72Å; I168-I186 HydrophobicContact CG1-CG2 3.97Å; I168-H190 HydrophobicContact CB-CB 4.49Å; I168-H190 HydrophobicContact CG2-CB 3.85Å; I168-M191 HydrophobicContact CG2-CE 4.29Å
169V85.6Confident87.1Confident72 Ų7266.6 Ų66.644%0.43637%0.37SS..SBendtrans-117.7132.6174.2175.90000108.4S167 G171 C172 H190S167-V169 PolarHBondContact O-N 3.37Å; V169-G171 PolarHBondContact O-N 3.3Å; V169-C172 HydrophobicContact CB-CB 4.49Å; V169-C172 WeakPolarHBondContact O-CB 3.25Å; V169-C172 PolarHBondContact O-N 3Å; V169-H190 HydrophobicContact CG2-CB 4.4Å; V169-H190 VanDerWaalsContact CG2-ND1 3.28Å; V169-H190 WeakPolarHBondContact CG2-ND1 3.49Å
170Q79.6Confident87.5Confident189 Ų18971.8 Ų71.888%0.88338%0.378SS*.THydrogen-bonded Turntrans-56.4130.3176.8-66.6-156.2-1.200110.3
171G81.1Confident88.3Confident68 Ų6871.3 Ų71.370%0.70138%0.382SS*.THydrogen-bonded Turntrans84.5-2.5-176.100000115.8V169V169-G171 PolarHBondContact O-N 3.3Å
172C87.4Confident89Confident20 Ų2069.8 Ų69.814%0.13536%0.364CS..  trans-67.9-51179.2-167.60000113.1V169 R174 H185 H190V169-C172 HydrophobicContact CB-CB 4.49Å; V169-C172 WeakPolarHBondContact O-CB 3.25Å; V169-C172 PolarHBondContact O-N 3Å; C172-R174 PolarHBondContact O-N 2.74Å; C172-H185 VanDerWaalsContact SG-CE1 3.57Å; C172-H185 PolarHBondContact SG-NE2 3.1Å; C172-H190 VanDerWaalsContact SG-CE1 3.58Å; C172-H190 PolarHBondContact SG-NE2 3.38Å; C172-H190 VanDerWaalsContact SG-NE2 3.37Å
173K87.4Confident89.5Confident87 Ų8771.7 Ų71.738%0.37837%0.368SS..  trans47.69.4172.2-63-168.8-177.8-177.30117.7D110 M165 C166D110-K173 IonicContact OD1-NZ 2.7Å; D110-K173 PolarHBondContact OD1-NZ 3.17Å; D110-K173 IonicContact OD2-NZ 2.57Å; D110-K173 PolarHBondContact OD2-NZ 3.07Å; M165-K173 HydrophobicContact SD-CB 4.39Å; C166-K173 PolarHBondContact O-N 3.41Å
174R89.9Confident89.8Confident92 Ų9272.4 Ų72.435%0.34738%0.378SS..  trans-68.1138.7-177.8-78.3-176.6169.7146.30.5111.2C166 C172 Y176C166-R174 PolarHBondContact N-O 3.08Å; C172-R174 PolarHBondContact O-N 2.74Å; R174-Y176 HydrophobicContact CB-CE2 3.62Å
175T92.1Very high90Very high2 Ų269.4 Ų69.41%0.01237%0.365CS..EExtended strand (participates in β ladder)trans-113.8143.2-175.8690000114.3R121 K126 V128 F164 M165R121-T175 PolarHBondContact NE-OG1 3.41Å; R121-T175 PolarHBondContact NH2-O 2.75Å; K126-T175 WeakPolarHBondContact CB-O 3.03Å; K126-T175 PolarHBondContact O-N 3.43Å; K126-T175 PolarHBondContact O-OG1 2.86Å; V128-T175 HydrophobicContact CB-CG2 4.23Å; V128-T175 HydrophobicContact CG2-CG2 3.4Å; V128-T175 VanDerWaalsContact CG2-CG2 3.4Å; V128-T175 WeakPolarHBondContact CG2-OG1 3.36Å; F164-T175 WeakPolarHBondContact O-CA 3.29Å; M165-T175 HydrophobicContact CB-CG2 4.24Å; M165-T175 HydrophobicContact CE-CG2 4Å; M165-T175 HydrophobicContact CG-CG2 4.22Å
176Y92.8Very high90.2Very high22 Ų2267.6 Ų67.69%0.08636%0.356CS..EExtended strand (participates in β ladder)trans-134.8149.8-173.2-63.3-85.9000110.7K126 L163 F164 R174 S178 D181 L182 H185K126-Y176 HydrophobicContact CD-CD1 4.3Å; K126-Y176 HydrophobicContact CD-CE1 3.86Å; L163-Y176 WeakPolarHBondContact CA-O 3.39Å; F164-Y176 PolarHBondContact N-O 2.89Å; F164-Y176 PolarHBondContact O-N 3.32Å; R174-Y176 HydrophobicContact CB-CE2 3.62Å; Y176-S178 VanDerWaalsContact C-N 3.26Å; Y176-S178 PolarHBondContact O-N 3.15Å; Y176-D181 HydrophobicContact CD1-CB 3.73Å; Y176-D181 HydrophobicContact CG-CB 4.05Å; Y176-L182 HydrophobicContact CD2-CB 4.18Å; Y176-L182 HydrophobicContact CD2-CD1 4.07Å; Y176-L182 HydrophobicContact CE2-CD1 4.46Å; Y176-L182 HydrophobicContact CG-CB 4.42Å; Y176-H185 HydrophobicContact CD2-CB 4.47Å; Y176-H185 HydrophobicContact CE1-CB 4Å; Y176-H185 HydrophobicContact CE2-CB 3.7Å; Y176-H185 AromaticContact CE2-CD2 3.29Å; Y176-H185 WeakPolarHBondContact CE2-CD2 3.47Å; Y176-H185 AromaticContact CE2-CG 3.58Å; Y176-H185 VanDerWaalsContact CZ-CB 3.42Å; Y176-H185 AromaticContact CZ-CD2 3.72Å; Y176-H185 AromaticContact CZ-CG 3.5Å; Y176-H185 WeakPolarHBondContact OH-CB 3.49Å; Y176-H185 PolarHBondContact OH-ND1 3.38Å
177L91Very high90.3Very high101 Ų10171.2 Ų71.253%0.52938%0.375SS..SBendtrans-81.3-8-176.9-63170000112.6L163L163-L177 HydrophobicContact CD2-CD2 3.87Å
178S91Very high90.4Very high35 Ų3572.9 Ų72.925%0.24537%0.371CS..SBendtrans-145.3151.8178.276.30000111.5Y176 R180 D181 L182Y176-S178 VanDerWaalsContact C-N 3.26Å; Y176-S178 PolarHBondContact O-N 3.15Å; S178-R180 PolarHBondContact O-N 3.46Å; S178-D181 PolarHBondContact O-N 3.1Å; S178-D181 WeakPolarHBondContact OG-CB 3.5Å; S178-D181 PolarHBondContact OG-N 2.99Å; S178-D181 PolarHBondContact OG-OD2 3.45Å; S178-L182 PolarHBondContact O-N 3.27Å; S178-L182 VanDerWaalsContact O-N 3.1Å
179Q91.1Very high90.5Very high93 Ų9376.5 Ų76.544%0.43538%0.379SS..Hα-helixtrans-59.8-31.4171.4-176.160.915.100111.8F164 L182 Q183F164-Q179 HydrophobicContact CD1-CB 4.06Å; F164-Q179 HydrophobicContact CE1-CB 3.94Å; F164-Q179 HydrophobicContact CG-CB 4.49Å; F164-Q179 HydrophobicContact CZ-CB 4.28Å; Q179-L182 PolarHBondContact O-N 2.85Å; Q179-Q183 WeakPolarHBondContact O-CB 3.35Å; Q179-Q183 PolarHBondContact O-N 2.78Å
180R94.7Very high90.7Very high211 Ų21174.2 Ų74.280%0.79636%0.364SS*.Hα-helixtrans-60.8-47.9174.8179.2-174.3-67.8-148-0.2111.4S178 Q183 A184S178-R180 PolarHBondContact O-N 3.46Å; R180-Q183 PolarHBondContact O-N 2.79Å; R180-A184 WeakPolarHBondContact O-CB 3.43Å; R180-A184 PolarHBondContact O-N 3.05Å
181D93.7Very high90.9Very high77 Ų7770.7 Ų70.741%0.41235%0.349SS..Hα-helixtrans-68.2-37.8-179.6-67.4-46.6000111.9Y176 S178 H185Y176-D181 HydrophobicContact CD1-CB 3.73Å; Y176-D181 HydrophobicContact CG-CB 4.05Å; S178-D181 PolarHBondContact O-N 3.1Å; S178-D181 WeakPolarHBondContact OG-CB 3.5Å; S178-D181 PolarHBondContact OG-N 2.99Å; S178-D181 PolarHBondContact OG-OD2 3.45Å; D181-H185 WeakPolarHBondContact O-CB 3.34Å; D181-H185 PolarHBondContact O-N 3.31Å
182L93.1Very high90.2Very high12 Ų1278.5 Ų78.56%0.06336%0.357CS..Hα-helixtrans-61.4-48.1171.2172.458.6000110.6F164 C166 Y176 S178 Q179 A184 H185 I186F164-L182 HydrophobicContact CB-CB 3.99Å; F164-L182 HydrophobicContact CB-CD2 3.77Å; F164-L182 HydrophobicContact CB-CG 4.48Å; C166-L182 HydrophobicContact CB-CD1 3.55Å; Y176-L182 HydrophobicContact CD2-CB 4.18Å; Y176-L182 HydrophobicContact CD2-CD1 4.07Å; Y176-L182 HydrophobicContact CE2-CD1 4.46Å; Y176-L182 HydrophobicContact CG-CB 4.42Å; S178-L182 PolarHBondContact O-N 3.27Å; S178-L182 VanDerWaalsContact O-N 3.1Å; Q179-L182 PolarHBondContact O-N 2.85Å; L182-A184 PolarHBondContact O-N 3.46Å; L182-H185 WeakPolarHBondContact O-CB 3.4Å; L182-H185 PolarHBondContact O-N 3.05Å; L182-H185 VanDerWaalsContact O-N 3.15Å; L182-I186 HydrophobicContact CD1-CD1 3.89Å; L182-I186 HydrophobicContact CD1-CG1 4.07Å; L182-I186 HydrophobicContact CG-CD1 3.86Å; L182-I186 HydrophobicContact CG-CG1 4.47Å; L182-I186 WeakPolarHBondContact O-CG1 3.4Å; L182-I186 PolarHBondContact O-N 3.24Å
183Q94.1Very high88.7Confident79 Ų7980.9 Ų80.937%0.36938%0.378SS..Hα-helixtrans-63.2-41.4179.2-167.562.649.800112.1Q179 R180 H185 I186 N187Q179-Q183 WeakPolarHBondContact O-CB 3.35Å; Q179-Q183 PolarHBondContact O-N 2.78Å; R180-Q183 PolarHBondContact O-N 2.79Å; Q183-H185 VanDerWaalsContact C-N 3.31Å; Q183-H185 PolarHBondContact O-N 2.68Å; Q183-I186 PolarHBondContact O-N 3.21Å; Q183-N187 PolarHBondContact NE2-OD1 3.34Å; Q183-N187 WeakPolarHBondContact O-CB 3.36Å; Q183-N187 PolarHBondContact O-N 3.07Å; Q183-N187 PolarHBondContact O-OD1 3.47Å
184A94.9Very high87Confident40 Ų4079.6 Ų79.633%0.33139%0.39SS..Hα-helixtrans-59.5-43.2173.400000111.2R180 L182 N187 H188R180-A184 WeakPolarHBondContact O-CB 3.43Å; R180-A184 PolarHBondContact O-N 3.05Å; L182-A184 PolarHBondContact O-N 3.46Å; A184-N187 PolarHBondContact O-N 3.21Å; A184-H188 VanDerWaalsContact O-CB 3.28Å; A184-H188 WeakPolarHBondContact O-CB 3.37Å; A184-H188 PolarHBondContact O-CD2 3.21Å; A184-H188 VanDerWaalsContact O-CG 3.25Å; A184-H188 PolarHBondContact O-N 3.42Å
185H93.8Very high84.8Confident11 Ų1184 Ų845%0.05141%0.412CS..Hα-helixtrans-60.4-46.7173.4161.446.3000112.9C166 C172 Y176 D181 L182 Q183 H188 R189 H190C166-H185 WeakPolarHBondContact CB-NE2 3.41Å; C166-H185 PolarHBondContact SG-NE2 3.12Å; C166-H185 VanDerWaalsContact SG-NE2 3.38Å; C172-H185 VanDerWaalsContact SG-CE1 3.57Å; C172-H185 PolarHBondContact SG-NE2 3.1Å; Y176-H185 HydrophobicContact CD2-CB 4.47Å; Y176-H185 HydrophobicContact CE1-CB 4Å; Y176-H185 HydrophobicContact CE2-CB 3.7Å; Y176-H185 AromaticContact CE2-CD2 3.29Å; Y176-H185 WeakPolarHBondContact CE2-CD2 3.47Å; Y176-H185 AromaticContact CE2-CG 3.58Å; Y176-H185 VanDerWaalsContact CZ-CB 3.42Å; Y176-H185 AromaticContact CZ-CD2 3.72Å; Y176-H185 AromaticContact CZ-CG 3.5Å; Y176-H185 WeakPolarHBondContact OH-CB 3.49Å; Y176-H185 PolarHBondContact OH-ND1 3.38Å; D181-H185 WeakPolarHBondContact O-CB 3.34Å; D181-H185 PolarHBondContact O-N 3.31Å; L182-H185 WeakPolarHBondContact O-CB 3.4Å; L182-H185 PolarHBondContact O-N 3.05Å; L182-H185 VanDerWaalsContact O-N 3.15Å; Q183-H185 VanDerWaalsContact C-N 3.31Å; Q183-H185 PolarHBondContact O-N 2.68Å; H185-H188 PolarHBondContact O-N 2.7Å; H185-R189 WeakPolarHBondContact O-CB 3.44Å; H185-R189 PolarHBondContact O-N 2.86Å; H185-H190 AromaticContact CE1-NE2 3.51Å; H185-H190 AromaticContact NE2-NE2 3.45Å; H185-H190 PolarHBondContact NE2-NE2 2.96Å
186I93.8Very high82.5Confident14 Ų1489.6 Ų89.67%0.07245%0.447CS..Hα-helixtrans-58.2-49.5177.3-68.2167.3000110.2I168 L182 Q183 H188 H190 M191I168-I186 HydrophobicContact CD1-CD1 4.21Å; I168-I186 HydrophobicContact CG1-CB 4.49Å; I168-I186 HydrophobicContact CG1-CD1 3.68Å; I168-I186 HydrophobicContact CG1-CG1 3.72Å; I168-I186 HydrophobicContact CG1-CG2 3.97Å; L182-I186 HydrophobicContact CD1-CD1 3.89Å; L182-I186 HydrophobicContact CD1-CG1 4.07Å; L182-I186 HydrophobicContact CG-CD1 3.86Å; L182-I186 HydrophobicContact CG-CG1 4.47Å; L182-I186 WeakPolarHBondContact O-CG1 3.4Å; L182-I186 PolarHBondContact O-N 3.24Å; Q183-I186 PolarHBondContact O-N 3.21Å; I186-H188 PolarHBondContact O-N 3.08Å; I186-H190 HydrophobicContact CG2-CB 4.48Å; I186-H190 WeakPolarHBondContact O-CA 3.38Å; I186-H190 WeakPolarHBondContact O-CB 3.42Å; I186-H190 PolarHBondContact O-N 3.18Å; I186-M191 HydrophobicContact CG2-CE 4.31Å; I186-M191 HydrophobicContact CG2-CG 4.12Å; I186-M191 PolarHBondContact O-N 3.25Å
187N93.4Very high80.3Confident79 Ų7995.1 Ų95.142%0.42248%0.483SS..Hα-helixtrans-60.7-44.6179.5-66.5-0.9000111.4Q183 A184 R192Q183-N187 PolarHBondContact NE2-OD1 3.34Å; Q183-N187 WeakPolarHBondContact O-CB 3.36Å; Q183-N187 PolarHBondContact O-N 3.07Å; Q183-N187 PolarHBondContact O-OD1 3.47Å; A184-N187 PolarHBondContact O-N 3.21Å; N187-R192 PolarHBondContact O-N 3.45Å
188H90.8Very high77.7Confident138 Ų13896.2 Ų96.264%0.63950%0.495SS*.Hα-helixtrans-78.7-25.7-174.5-72.4-139.6000114A184 H185 I186A184-H188 VanDerWaalsContact O-CB 3.28Å; A184-H188 WeakPolarHBondContact O-CB 3.37Å; A184-H188 PolarHBondContact O-CD2 3.21Å; A184-H188 VanDerWaalsContact O-CG 3.25Å; A184-H188 PolarHBondContact O-N 3.42Å; H185-H188 PolarHBondContact O-N 2.7Å; I186-H188 PolarHBondContact O-N 3.08Å
189R90.1Very high75.2Confident165 Ų165105.1 Ų105.162%0.62352%0.523SS*.Hα-helixtrans-120.7-22.2-171.3-59.7-60.2-175.6165.2-1.5115.2H185H185-R189 WeakPolarHBondContact O-CB 3.44Å; H185-R189 PolarHBondContact O-N 2.86Å
190H88.9Confident72.6Confident24 Ų24105.3 Ų105.311%0.11154%0.54CS..THydrogen-bonded Turntrans-112.7-47.1-179.6-57.7-44.2000111.6C166 I168 V169 C172 H185 I186 A193 G194C166-H190 VanDerWaalsContact SG-CD2 3.5Å; C166-H190 PolarHBondContact SG-NE2 3.07Å; I168-H190 HydrophobicContact CB-CB 4.49Å; I168-H190 HydrophobicContact CG2-CB 3.85Å; V169-H190 HydrophobicContact CG2-CB 4.4Å; V169-H190 VanDerWaalsContact CG2-ND1 3.28Å; V169-H190 WeakPolarHBondContact CG2-ND1 3.49Å; C172-H190 VanDerWaalsContact SG-CE1 3.58Å; C172-H190 PolarHBondContact SG-NE2 3.38Å; C172-H190 VanDerWaalsContact SG-NE2 3.37Å; H185-H190 AromaticContact CE1-NE2 3.51Å; H185-H190 AromaticContact NE2-NE2 3.45Å; H185-H190 PolarHBondContact NE2-NE2 2.96Å; I186-H190 HydrophobicContact CG2-CB 4.48Å; I186-H190 WeakPolarHBondContact O-CA 3.38Å; I186-H190 WeakPolarHBondContact O-CB 3.42Å; I186-H190 PolarHBondContact O-N 3.18Å; H190-A193 PolarHBondContact O-N 2.91Å; H190-G194 PolarHBondContact O-N 3.26Å
191M82.9Confident69.7Low115 Ų115100.5 Ų100.557%0.56754%0.539SS*.G310 helixtrans-69.3-38179.2-56.4-6490.900112.1I168 I186 A193 G194I168-M191 HydrophobicContact CG2-CE 4.29Å; I186-M191 HydrophobicContact CG2-CE 4.31Å; I186-M191 HydrophobicContact CG2-CG 4.12Å; I186-M191 PolarHBondContact O-N 3.25Å; M191-A193 PolarHBondContact O-N 2.85Å; M191-G194 PolarHBondContact O-N 2.91Å
192R66.4Low67.2Low231 Ų231104.9 Ų104.987%0.87256%0.562SS**G310 helixtrans-76.6-2.7175.8-137.4173.1-167.5-168.52.4115N187N187-R192 PolarHBondContact O-N 3.45Å
193A57.7Low64.3Low71 Ų71112.4 Ų112.459%0.58760%0.597SS**G310 helixtrans-108.16.4173.700000112.5H190 M191 K195H190-A193 PolarHBondContact O-N 2.91Å; M191-A193 PolarHBondContact O-N 2.85Å; A193-K195 VanDerWaalsContact C-N 3.29Å; A193-K195 PolarHBondContact O-N 3.25Å
194G50.6Low61.5Low60 Ų60115.6 Ų115.662%0.61962%0.616SS**  trans-72.767.6-174.700000115H190 M191H190-G194 PolarHBondContact O-N 3.26Å; M191-G194 PolarHBondContact O-N 2.91Å
195K43.1Very low58.5Low185 Ų185120 Ų12080%0.80464%0.638SS**SBendtrans-91.2121.2137-71.4178.8178.8-178.80105.5A193 V197A193-K195 VanDerWaalsContact C-N 3.29Å; A193-K195 PolarHBondContact O-N 3.25Å; K195-V197 PolarHBondContact O-N 3.43Å
196P44Very low55.8Low118 Ų118126.7 Ų126.777%0.76667%0.67SS**  trans-61.5118.6176.225.6-32.2000108T198P196-T198 PolarHBondContact O-N 2.87Å
197V46.2Very low53.5Low138 Ų138130.4 Ų130.484%0.83669%0.694SS**  trans-69.792.7162.9176.20000105.5K195 R199K195-V197 PolarHBondContact O-N 3.43Å; V197-R199 PolarHBondContact O-N 3.42Å
198T36.4Very low50.8Low125 Ų125132.8 Ų132.877%0.76771%0.714SS**  trans-50.6123.4167-50.40000106.8P196 A200P196-T198 PolarHBondContact O-N 2.87Å; T198-A200 PolarHBondContact O-N 3.24Å
199R39Very low48.2Very low221 Ų221133.9 Ų133.983%0.83472%0.723SS**  trans-59.4113.4-176.4-58.1174.295.1113.2-2.5107.9V197 S201V197-R199 PolarHBondContact O-N 3.42Å; R199-S201 PolarHBondContact O-N 2.89Å; R199-S201 VanDerWaalsContact O-N 3.12Å
200A35.9Very low45.6Very low98 Ų98130 Ų13081%0.8173%0.726SS**  trans-59.3114.8150.100000105.3T198 L202T198-A200 PolarHBondContact O-N 3.24Å; A200-L202 PolarHBondContact O-N 2.91Å
201S35.6Very low43.3Very low110 Ų110134.5 Ų134.577%0.76976%0.757SS**  trans-58.9135.7176.5-167.30000108.2R199 E203R199-S201 PolarHBondContact O-N 2.89Å; R199-S201 VanDerWaalsContact O-N 3.12Å; S201-E203 PolarHBondContact O-N 3.33Å
202L40.2Very low41.3Very low169 Ų169134.3 Ų134.389%0.88577%0.765SS**  trans-65.6103.5166.1-98.7157.1000106.9A200 N204A200-L202 PolarHBondContact O-N 2.91Å; L202-N204 PolarHBondContact O-N 3.48Å
203E31.9Very low40.1Very low170 Ų170129.1 Ų129.179%0.79476%0.761SS**  trans-66131.2169.2-168.7137.811400108.8S201 V205S201-E203 PolarHBondContact O-N 3.33Å; E203-V205 PolarHBondContact O-N 3.44Å
204N34.9Very low39.3Very low145 Ų145132.5 Ų132.578%0.77578%0.775SS**  trans-75.392.1-174.4-175.649.3000109.7L202 H206L202-N204 PolarHBondContact O-N 3.48Å; N204-H206 PolarHBondContact O-N 2.97Å
205V32.7Very low38.5Very low132 Ų132137.5 Ų137.580%0.878%0.782SS**  trans-70.492.3179.8-176.40000110.2E203E203-V205 PolarHBondContact O-N 3.44Å
206H37.8Very low38.4Very low153 Ų153136.1 Ų136.171%0.70878%0.782SS**  trans-81.9130.6165.1-159.8-99000108.9N204 P208N204-H206 PolarHBondContact O-N 2.97Å; H206-P208 WeakPolarHBondContact O-CD 3.4Å
207P44.3Very low38.7Very low91 Ų91135.5 Ų135.559%0.59178%0.778SS**  trans-77.1128.5179.429.7-32.6000111.1I209P207-I209 PolarHBondContact O-N 2.95Å
208P37.1Very low38.1Very low130 Ų130136.1 Ų136.184%0.84477%0.772SS**  trans-78.6109.1169.2-1128.5000110H206H206-P208 WeakPolarHBondContact O-CD 3.4Å
209I35.6Very low38Very low161 Ų161139.8 Ų139.883%0.82677%0.771SS**PPolyproline II helixtrans-75.6134.4164-68.1169.8000107.8P207P207-I209 PolarHBondContact O-N 2.95Å
210A36.1Very low37.6Very low83 Ų83138.3 Ų138.369%0.68677%0.771SS**PPolyproline II helixtrans-69.6148.5-176.400000112.6
211P39.8Very low37.6Very low118 Ų118141.3 Ų141.377%0.76677%0.772SS**PPolyproline II helixtrans-76.2150.5166.732.9-33.3000111.1
212P42.1Very low37.4Very low112 Ų112144.1 Ų144.173%0.72778%0.775SS**PPolyproline II helixtrans-79160.5-179.333.8-36000112.5
213P41.8Very low38.2Very low122 Ų122140.7 Ų140.779%0.79276%0.763SS**PPolyproline II helixtrans-76.2152.3173.233.3-34.4000111.3
214T39Very low39.3Very low141 Ų141137.1 Ų137.187%0.86576%0.755SS**  trans-138.5138.2161.8-43.50000107.7
215E34.2Very low39.1Very low166 Ų166135.8 Ų135.878%0.77675%0.747SS**  trans-94.1174.7-158.6-55.2-170.512900115
216I42Very low39.2Very low156 Ų156137.2 Ų137.280%0.874%0.743SS**  trans78.6145.3150.853.9174.2000121.7
217P50.4Low39.1Very low105 Ų105136.7 Ų136.768%0.68274%0.74SS**  trans-140.3160.4-141.440.4-20.5000117.2
218E33.1Very low39Very low151 Ų151141.5 Ų141.571%0.70675%0.754SS**  trans-145.3100.7168.8-133.588.1-124.300115.2
219R35.1Very low38.8Very low201 Ų201142.1 Ų142.176%0.75875%0.748SS**  trans32.7130133.5-62.1177.8-113.8-168.1-3.8122.1
220F29.5Very low38.7Very low191 Ų191140 Ų14084%0.83875%0.748SS**  trans70.5112.3136.3-95.2-101.1000120.8
221I35.2Very low38.9Very low160 Ų160145.1 Ų145.182%0.82176%0.757SS**  166139.6114.5-84.6152.6000111.7
222M33.2Very low38.8Very low170 Ų170147.4 Ų147.484%0.83776%0.761SS**  trans-141.7169.8163.2-114.8-140.1142.500106.7
223P55.7Low39Very low97 Ų97147.1 Ų147.163%0.6376%0.759SS**  cis-123.3-137.3-40.438.5-18.8000107.1
224P55Low39.2Very low95 Ų95147.5 Ų147.562%0.61776%0.762SS**  cis-129.7-154.5-24.331-7.4000112.4
225D31.4Very low39Very low117 Ų117150.4 Ų150.463%0.62676%0.762SS**  trans79.1137.8140-90.2-10.4000118.9
226K34.6Very low39.2Very low161 Ų161150.6 Ų150.670%0.776%0.763SS**  cis-150.2142.15.9-58.5-167.4171.7174.40113.1
227H36.1Very low39Very low142 Ų142151.3 Ų151.366%0.65776%0.763SS**  trans53.6125.3138.3-65.9-137.2000120.8
228H41.2Very low38.3Very low192 Ų192154.1 Ų154.189%0.88977%0.77SS**  -152.4159.3106.2-99.982.4000110
229M34.4Very low38.4Very low143 Ų143154.6 Ų154.670%0.70478%0.775SS**  trans-106.6165.2-161.2-62.5-78.998.300114.3
230S32.9Very low38.4Very low118 Ų118153 Ų15383%0.82578%0.778SS**  trans110.1128.2144.9-570000118.5
231H39.4Very low39.2Very low189 Ų189148.7 Ų148.788%0.87577%0.769SS**  trans-89.9149.3-170.8-65.5-109.4000114.1
232I37.6Very low39.7Very low166 Ų166146.8 Ų146.885%0.85177%0.767SS**  trans-140.7134.2150.7-56-178.2000108.2
233P47.8Very low40.2Very low107 Ų107144.5 Ų144.570%0.69577%0.765SS**PPolyproline II helixtrans-98159.9-173.237.8-35.7000114.3
234P45Very low39.7Very low130 Ų130145.7 Ų145.784%0.84477%0.773SS**PPolyproline II helixtrans-77.2131.8167.130.8-30.6000111.4
235K34.7Very low39Very low202 Ų202149.6 Ų149.688%0.87879%0.787SS**PPolyproline II helixtrans-85.7166.7-179.2-116.9174.5-179.3175.60112.9
236Q39Very low39.1Very low169 Ų169152.7 Ų152.779%0.7980%0.798SS**PPolyproline II helixtrans-87.7152.7-164.1-64.5153.8-65.400114.7
237H37.5Very low39.1Very low171 Ų171154.5 Ų154.579%0.79281%0.809SS**  trans46.2133.2144.1-75.7-115.4000121.8
238I35.9Very low39Very low164 Ų164154.5 Ų154.584%0.84182%0.818SS**  -163.3140.2122.6-93.1143.2000108.9
239M35.1Very low39Very low162 Ų162150.5 Ų150.580%0.79881%0.809SS**  trans-134.7132174.9-73.7-106.173.100109.1
240M35.3Very low38.9Very low167 Ų167152.4 Ų152.482%0.82382%0.816SS**  trans-159.9166168.6-98-60.780.800110.3
241P45.8Very low38.9Very low100 Ų100155 Ų15565%0.64982%0.815SS**  trans-128.8179.6-130.841.7-24.6000115.5
242P46.9Very low39Very low120 Ų120154.5 Ų154.578%0.77981%0.813SS**PPolyproline II helixtrans-87.9164.1174.334.8-34.9000114.6
243P42Very low38.6Very low123 Ų123157.1 Ų157.180%0.79981%0.814SS**PPolyproline II helixtrans-88.5167-167.335.7-37.6000115.9
244P45.5Very low37.7Very low122 Ų122157.7 Ų157.779%0.79281%0.811SS**PPolyproline II helixtrans-99.1160.8-16538.1-36000116.1
245L40.4Very low37.3Very low176 Ų176158.6 Ų158.692%0.92180%0.804SS**  trans-104.1149.9161.8-73174.3000110.7
246Q34.2Very low37.7Very low183 Ų183155 Ų15586%0.85580%0.801SS**  trans-86.9132.8-167.8-61.7171.9-8.800113.2
247H34.2Very low37.9Very low199 Ų199152.9 Ų152.992%0.92179%0.791SS**  trans-142147.3152.7-82.6141000109.8
248V33.4Very low37.6Very low141 Ų141153 Ų15386%0.85579%0.792SS**  trans-106.9151-169.61660000109.2
249P41.9Very low37.6Very low109 Ų109150.9 Ų150.971%0.70878%0.782SS**  trans-101.3175.7-133.238.7-38.9000116.8
250H33.4Very low37.7Very low183 Ų183149.8 Ų149.885%0.84778%0.778SS**  trans-129.7142.9163.9-156.254.3000109.9
251E32.3Very low37.4Very low173 Ų173153.7 Ų153.781%0.80878%0.783SS**  trans-79.2161.9-161.6-70-74.499.700115.1
252H40.5Very low36.9Very low178 Ų178153 Ų15382%0.82479%0.786SS**  trans-109.3144.3-176.1-85.847.3000114
253Y29.3Very low37.3Very low221 Ų221153 Ų15387%0.86779%0.786SS**  trans-175.5140.5145.8-125.6-120.6000108.8
254N30.2Very low37.3Very low118 Ų118153.2 Ų153.263%0.63179%0.788SS**  cis-160.1-165.1-21-146.6-35.5000110.2
255Q36.5Very low36.9Very low150 Ų150151.4 Ų151.470%0.70178%0.783SS**  trans-128.6168.1176.1-90.3-72-30.900108.6
256P43.5Very low36.6Very low125 Ų125150.8 Ų150.881%0.81278%0.775SS**  cis-144.9-177.648.839.7-16.6000118.9
257H42.3Very low36.5Very low126 Ų126148.9 Ų148.958%0.58377%0.77SS**  trans-84159.5-176.1-176.1-98.2000113.3D259H257-D259 IonicContact CE1-OD2 2.74Å
258E32Very low36.4Very low174 Ų174143.9 Ų143.981%0.81376%0.758SS**  trans-168.5147.2130.3-88.4-44.566.700114.3
259D35.1Very low36.4Very low118 Ų118146.1 Ų146.163%0.63176%0.761SS**  trans-65.6177.2-168.9-123.7-62.8000121.3H257H257-D259 IonicContact CE1-OD2 2.74Å
260I36.8Very low36.1Very low140 Ų140145.5 Ų145.572%0.71877%0.766SS**  trans85.4110.9148-68.7154.5000123.1
261R30.3Very low36.6Very low248 Ų248142.9 Ų142.994%0.93676%0.764SS**  trans80.4165.3137.3-145.6166-161.1158.95.3121.7
262A35.1Very low37.4Very low86 Ų86140.2 Ų140.271%0.71176%0.762SS**  trans-103-178.7-154.300000114.2
263P55.3Low37.6Very low119 Ų119137.2 Ų137.277%0.77376%0.758SS**  trans-92.6174.9-14339.8-42000116.3
264P42.3Very low38.2Very low129 Ų129133 Ų13384%0.83876%0.758SS**  -133.4167.8129.937.5-26.5000114.1
265A35.1Very low38.7Very low83 Ų83139.4 Ų139.469%0.68677%0.774SS**  trans-90.8162172.500000111.8
266E35Very low38.5Very low163 Ų163137.6 Ų137.676%0.76278%0.778SS**  162.7145.6122.9-91.5-63.792.300115.3
267L33Very low38.1Very low143 Ų143138.1 Ų138.175%0.74978%0.778SS**  trans81.7117.9149.9-65156.5000124.4
268S31.6Very low37.7Very low95 Ų95136.7 Ų136.766%0.66478%0.783SS**  102.397.2128.8-69.50000124.2
269M34Very low37.8Very low187 Ų187138 Ų13892%0.92179%0.789SS**  64.2118.2126.4-56-156-152.600124
270A34.3Very low37.9Very low97 Ų97140.3 Ų140.380%0.80280%0.796SS**  trans-160.4160.5144.200000111.4
271P43.2Very low37.8Very low127 Ų127138.3 Ų138.383%0.82579%0.79SS**  trans-93.4176.1-155-7.528.4000117.9
272P50.8Low38.2Very low117 Ų117135.5 Ų135.576%0.7679%0.785SS**PPolyproline II helixtrans-103.1163.1-163.739.9-36.4000116.5
273P43.8Very low38.4Very low115 Ų115143.2 Ų143.275%0.74780%0.796SS**PPolyproline II helixtrans-86161.2160.235.4-32.5000112.5
274P42.2Very low37.7Very low133 Ų133145.1 Ų145.186%0.86480%0.798SS**PPolyproline II helixtrans-78.3155.8-166.931.2-36.5000114.8
275R40.6Very low37.5Very low252 Ų252144.5 Ų144.595%0.95180%0.796SS**PPolyproline II helixtrans-81.4143.1174.4-69177163.3-163.3-5.3111.8
276S32.6Very low37.7Very low113 Ų113146.6 Ų146.679%0.7980%0.801SS**  trans-133108.1150.147.30000111.6
277V35.8Very low37.9Very low136 Ų136150.1 Ų150.182%0.82481%0.807SS**  trans32.4124.7147.3-1650000120.1
278S32.8Very low38.5Very low96 Ų96151.5 Ų151.567%0.67181%0.807SS**  trans-47.4146.9169.351.20000117.6
279Q35Very low39.3Very low202 Ų202155.7 Ų155.794%0.94482%0.816SS**  -137149.2121.7-109.3175.841.300110.5
280E35.6Very low39.7Very low166 Ų166151.1 Ų151.178%0.77680%0.802SS**  trans-109.5161-161.4-168.7166.5123.100111.7
281T36.5Very low40.3Very low98 Ų98154.6 Ų154.660%0.60181%0.807SS**  trans68.9142.6164.324.20000117.5
282F37.3Very low40.9Very low189 Ų189155 Ų15583%0.82980%0.802SS**  cis-130.4155.73.9-83.6-86.4000111.9
283R39.4Very low40.6Very low247 Ų247157.1 Ų157.193%0.93281%0.805SS**  trans-89.1134.8168.8-65.6-175.5178.7-169.91110.9
284I40.5Very low40.7Very low160 Ų160157.4 Ų157.482%0.82181%0.805SS**  trans-126.5128.4157-60.1-178.5000108.6
285S38Very low40.9Very low115 Ų115156.3 Ų156.380%0.80480%0.795SS**  trans-104.1118.8-178.5175.90000110.6
286T39.3Very low41.1Very low128 Ų128149.8 Ų149.879%0.78579%0.786SS**  trans-137.487.2164.945.30000112.5K288T286-K288 PolarHBondContact O-N 2.87Å
287R39.9Very low41.5Very low237 Ų237151.9 Ų151.989%0.89479%0.787SS**  trans21.985.1135-161.3173.1-170.3-101.67.3118.1
288K45.3Very low41.3Very low172 Ų172153.9 Ų153.975%0.74879%0.787SS**SBendtrans43.2130136.7-56.6-173.4174.5-177.40120.4T286T286-K288 PolarHBondContact O-N 2.87Å
289H49.5Very low41.3Very low183 Ų183155.5 Ų155.585%0.84779%0.788SS**  trans85.268.2160.6-39-63.7000117.6
290S41.8Very low41.4Very low91 Ų91153.6 Ų153.664%0.63678%0.784SS**  trans-143.3115.3162174.40000109.7L292S290-L292 VanDerWaalsContact C-N 3.29Å; S290-L292 PolarHBondContact O-N 3.24Å
291N47.1Very low41.5Very low169 Ų169150.3 Ų150.390%0.90478%0.779SS**  trans-89.761.7176.5-71-17.7000110.6
292L54.7Low41.3Very low137 Ų137153.2 Ų153.272%0.71779%0.791SS**  trans-90.6118.8165.6-99.473.8000109.5S290 T294S290-L292 VanDerWaalsContact C-N 3.29Å; S290-L292 PolarHBondContact O-N 3.24Å; L292-T294 PolarHBondContact O-N 3.18Å
293I44.8Very low41.2Very low161 Ų161149.6 Ų149.683%0.82679%0.789SS**  trans-80.597.4168.2-64.5169.2000107.1V295I293-V295 HydrophobicContact CG2-CG2 4.26Å
294T45.8Very low40.9Very low120 Ų120141.8 Ų141.874%0.73679%0.786SS**  trans-92.1111.7169.5-50.80000108.4L292L292-T294 PolarHBondContact O-N 3.18Å
295V46.2Very low40.7Very low110 Ų110138.7 Ų138.767%0.66778%0.784SS**PPolyproline II helixtrans-82.3124.8173.5-173.80000108.2I293 I297I293-V295 HydrophobicContact CG2-CG2 4.26Å; V295-I297 PolarHBondContact O-N 2.84Å
296P44.3Very low40.5Very low115 Ų115143.8 Ų143.875%0.74779%0.786SS**PPolyproline II helixtrans-66.1124171.5-17.831.6000110
297I41.1Very low40.1Very low158 Ų158144.6 Ų144.681%0.8178%0.781SS**PPolyproline II helixtrans-87.4117.6163.8-59.6174.5000105.7V295 D299V295-I297 PolarHBondContact O-N 2.84Å; I297-D299 PolarHBondContact O-N 3.41Å
298Q33Very low40.1Very low178 Ų178138.9 Ų138.983%0.83278%0.775SS**PPolyproline II helixtrans-72.7123.6168.2-72.5176-7100108.2
299D33.1Very low40.6Very low130 Ų130136.3 Ų136.370%0.69578%0.775SS**  trans-101.6106173.6-168.3-91.1000108.3I297 S301I297-D299 PolarHBondContact O-N 3.41Å; D299-S301 VanDerWaalsContact C-N 3.3Å; D299-S301 PolarHBondContact O-N 3.29Å; D299-S301 VanDerWaalsContact O-N 3.09Å; D299-S301 VanDerWaalsContact OD1-CB 3.23Å; D299-S301 WeakPolarHBondContact OD1-CB 3.28Å; D299-S301 PolarHBondContact OD1-OG 3.29Å
300D35.5Very low40.4Very low162 Ų162133.5 Ų133.587%0.86677%0.773SS**  trans-81.974.5175.9-92.7-70.9000110.3
301S38.4Very low40.6Very low96 Ų96135.2 Ų135.267%0.67178%0.782SS**  trans-107.988.2173-72.10000111.3D299D299-S301 VanDerWaalsContact C-N 3.3Å; D299-S301 PolarHBondContact O-N 3.29Å; D299-S301 VanDerWaalsContact O-N 3.09Å; D299-S301 VanDerWaalsContact OD1-CB 3.23Å; D299-S301 WeakPolarHBondContact OD1-CB 3.28Å; D299-S301 PolarHBondContact OD1-OG 3.29Å
302N31.9Very low40.1Very low159 Ų159131.5 Ų131.585%0.8578%0.775SS**  trans-75.7137170.9-172.323.3000111.3
303S36.5Very low39.5Very low113 Ų113131.1 Ų131.179%0.7978%0.781SS**  trans-87.8143.3-169.655.50000114.9
304G32.6Very low39.1Very low84 Ų84127.9 Ų127.987%0.86678%0.778SS**  trans-157.3138.416500000111
305A34.9Very low39.1Very low94 Ų94127.8 Ų127.878%0.77778%0.779SS**  trans-127.5166.6-162.700000114.8
306R33.9Very low38.5Very low223 Ų223126.3 Ų126.384%0.84278%0.779SS**  trans69.8154.8172.5-56.9171.697.5149.35.1114.6
307E31.9Very low38Very low145 Ų145128.1 Ų128.168%0.67878%0.777SS**  cis-156.7167.7-9.3-121.217061.200107.3
308P40.4Very low37.6Very low117 Ų117129.4 Ų129.476%0.7678%0.779SS**  trans-103.6-178.4-17544.4-37.4000114.1
309P55.3Low37.7Very low118 Ų118128.8 Ų128.877%0.76678%0.776SS**  -94.5178.4-118.242.8-27.8000116.3
310P45.3Very low38.8Very low123 Ų123127.3 Ų127.380%0.79977%0.773SS**  -150.1-147.4105.638.5-15.8000114.9
311P46.8Very low38.5Very low127 Ų127126.9 Ų126.983%0.82577%0.766SS**  -112.5179.9-110.437-17.8000117.1
312A36.6Very low38.3Very low91 Ų91130.3 Ų130.375%0.75277%0.766SS**  trans-76.2170.2-174.600000115.9
313P41.7Very low38.4Very low130 Ų130131 Ų13184%0.84476%0.764SS**  -142.9171.399.136.9-21.1000116.9
314A35.5Very low38.3Very low92 Ų92128.9 Ų128.976%0.7676%0.76SS**  trans-88.9-163.7-179.600000112
315P46.8Very low38.4Very low118 Ų118133.8 Ų133.877%0.76676%0.76SS**  cis-125.1-16911.938-15000112.8
316A32.7Very low39.1Very low80 Ų80134.7 Ų134.766%0.66176%0.758SS**  cis-167.713738.300000114.7
317H35Very low39.3Very low152 Ų152130.5 Ų130.570%0.70476%0.757SS**  trans46.1122.7132.7-51.5-70000123.4
318H32.8Very low39.9Very low185 Ų185129.6 Ų129.686%0.85676%0.761SS**  176.4174.791-87.7-63.8000112.5
319H34.2Very low39.4Very low165 Ų165128.9 Ų128.976%0.76476%0.759SS**  trans-117.2158.4-146.5-170.9-89.7000114.9
320P56.1Low38.6Very low99 Ų99131 Ų13164%0.64376%0.758SS**  trans-98.2169.4-178.938.9-39000116
321E30.3Very low38.3Very low153 Ų153131 Ų13172%0.71576%0.758SS**  trans-176.6170.7157.6-106.91702.700108.1
322Y33.3Very low38Very low169 Ų169133.6 Ų133.666%0.66376%0.759SS**  cis-153.2159.50.6-133.3-59.4000110.2
323Q33.2Very low38.3Very low174 Ų174137.7 Ų137.781%0.81376%0.762SS**  trans50.4122.6147.9-98.3162.18.700123.5
324G34.3Very low38.4Very low68 Ų68138.7 Ų138.770%0.70176%0.759SS**  106.8120.710900000122
325Q36.1Very low39.1Very low187 Ų187141.6 Ų141.687%0.87476%0.759SS**  trans81.1147.8154.2-60.2-61-29.500120.7
326P48.4Very low38.9Very low112 Ų112141.1 Ų141.173%0.72776%0.755SS**  trans-98.9146.1-174.638.2-32.4000113.3
327V38.8Very low39.6Very low135 Ų135142.5 Ų142.582%0.81876%0.757SS**  trans-117.5122.2170.6167.80000110.7
328V44.5Very low40.2Very low126 Ų126142.9 Ų142.976%0.76476%0.759SS**  trans-77.6127.6166.5171.60000108.7
329S30.7Very low40.5Very low103 Ų103141.3 Ų141.372%0.7275%0.752SS**  trans-124.9133.2166.549.50000110.6
330H36.8Very low40.9Very low163 Ų163141.5 Ų141.576%0.75575%0.753SS**PPolyproline II helixtrans-76.3142.8-173.3-74.156.6000111.3H332H330-H332 PolarHBondContact O-N 3.34Å
331P40Very low40.2Very low123 Ų123147.4 Ų147.480%0.79977%0.765SS**PPolyproline II helixtrans-67.3126.8169.2-18.932.5000111.4
332H39.6Very low41.3Very low180 Ų180144.2 Ų144.283%0.83376%0.764SS**PPolyproline II helixtrans-65.3138.6170.5-79.9-105.3000111.2H330 I334H330-H332 PolarHBondContact O-N 3.34Å; H332-I334 PolarHBondContact O-N 2.92Å
333H43.8Very low42.7Very low177 Ų177141.7 Ų141.782%0.81977%0.768SS**PPolyproline II helixtrans-65.2121.2171.8-65.8-83.4000111
334I42.7Very low43.8Very low152 Ų152138.9 Ų138.978%0.77977%0.766SS**PPolyproline II helixtrans-102.7127157.1-106.764.5000107.7H332H332-I334 PolarHBondContact O-N 2.92Å
335M51.6Low45.1Very low153 Ų153141.2 Ų141.275%0.75477%0.768SS**PPolyproline II helixtrans-78.8139.3172.4-70.6-85.289.900110.2
336P42.8Very low46.6Very low107 Ų107137.8 Ų137.870%0.69576%0.762SS**PPolyproline II helixtrans-75.9138169.731.3-32.5000110.5Q338P336-Q338 PolarHBondContact O-N 3.23Å
337P47.3Very low47.3Very low109 Ų109138 Ų13871%0.70876%0.764SS**PPolyproline II helixtrans-72.4128176.828-33.1000111.6Q339P337-Q339 PolarHBondContact O-N 3.16Å
338Q46.1Very low48.4Very low160 Ų160137.2 Ų137.275%0.74876%0.761SS**  trans-58104.8174.4-83.7-77.713.900112P336 H340P336-Q338 PolarHBondContact O-N 3.23Å; Q338-H340 PolarHBondContact O-N 3.27Å; Q338-H340 VanDerWaalsContact O-N 3.08Å; Q338-H340 PolarHBondContact O-ND1 3.27Å
339Q41Very low49.2Very low152 Ų152136.3 Ų136.371%0.7176%0.758SS**  trans-75.591.8171.1-67.5-65.5-62.300109.6P337 Y341P337-Q339 PolarHBondContact O-N 3.16Å; Q339-Y341 PolarHBondContact O-N 2.87Å
340H42.4Very low50.1Low169 Ų169137.5 Ų137.578%0.78276%0.763SS**  trans-68.6111.7171.3-71.471.6000109.2Q338 A342Q338-H340 PolarHBondContact O-N 3.27Å; Q338-H340 VanDerWaalsContact O-N 3.08Å; Q338-H340 PolarHBondContact O-ND1 3.27Å; H340-A342 PolarHBondContact O-N 3.19Å
341Y40.4Very low50.5Low224 Ų224136.1 Ų136.188%0.87876%0.76SS**  trans-68.4113.6170.8-85.7-96000109.7Q339Q339-Y341 PolarHBondContact O-N 2.87Å
342A52.9Low50.6Low86 Ų86135.7 Ų135.771%0.71176%0.76SS**PPolyproline II helixtrans-72.1139.1163.900000109.6H340H340-A342 PolarHBondContact O-N 3.19Å
343P63.3Low50.7Low115 Ų115134.8 Ų134.875%0.74776%0.756SS**PPolyproline II helixtrans-66.8153.5174.428.6-34.2000111.2
344P56.2Low50.7Low116 Ų116132 Ų13275%0.75375%0.753SS**PPolyproline II helixtrans-65.9148.4-179.428.1-35.1000111.9
345P61.9Low50.3Low117 Ų117132 Ų13276%0.7675%0.752SS**PPolyproline II helixtrans-67.5148.2178.128.6-34.9000111.8
346P67.5Low49.9Very low115 Ų115130.5 Ų130.575%0.74775%0.753SS**PPolyproline II helixtrans-67.5156177.429-35.2000112.2
347P64.1Low49.9Very low117 Ų117133 Ų13376%0.7676%0.756SS**PPolyproline II helixtrans-66.4150.5178.128.8-35.3000112
348P61.1Low49.6Very low117 Ų117133.3 Ų133.376%0.7676%0.757SS**PPolyproline II helixtrans-68.1149.4177.729.2-35000111.8
349P62Low49.4Very low108 Ų108131.9 Ų131.970%0.70176%0.762SS**PPolyproline II helixtrans-66.8155.4177.429.1-35.4000112I351P349-I351 PolarHBondContact O-N 3.39Å
350P48.4Very low49.4Very low128 Ų128133.9 Ų133.983%0.83177%0.771SS**PPolyproline II helixtrans-64.5123.6178.327.1-34000110.8S352P350-S352 PolarHBondContact O-N 2.74Å; P350-S352 VanDerWaalsContact O-N 3.16Å
351I45.3Very low48.9Very low134 Ų134130.8 Ų130.869%0.68778%0.775SS**  trans-74.2104.8176.7-70174.1000109.2P349 H353P349-I351 PolarHBondContact O-N 3.39Å; I351-H353 VanDerWaalsContact CG2-CD2 3.42Å; I351-H353 WeakPolarHBondContact CG2-CD2 3.4Å; I351-H353 VanDerWaalsContact CG2-CE1 3.41Å; I351-H353 WeakPolarHBondContact CG2-CE1 3.29Å; I351-H353 VanDerWaalsContact CG2-NE2 3.29Å; I351-H353 WeakPolarHBondContact CG2-NE2 3.41Å; I351-H353 PolarHBondContact O-N 3.35Å
352S42.7Very low48.8Very low113 Ų113125.4 Ų125.479%0.7978%0.777SS**  trans-82.584.8169.357.50000110.2P350 P354P350-S352 PolarHBondContact O-N 2.74Å; P350-S352 VanDerWaalsContact O-N 3.16Å; S352-P354 WeakPolarHBondContact O-CD 3.42Å
353H42.3Very low47.9Very low162 Ų162124.3 Ų124.375%0.7577%0.774SS**PPolyproline II helixtrans-81.4119.8167.1-72.7-42.5000110.2I351I351-H353 VanDerWaalsContact CG2-CD2 3.42Å; I351-H353 WeakPolarHBondContact CG2-CD2 3.4Å; I351-H353 VanDerWaalsContact CG2-CE1 3.41Å; I351-H353 WeakPolarHBondContact CG2-CE1 3.29Å; I351-H353 VanDerWaalsContact CG2-NE2 3.29Å; I351-H353 WeakPolarHBondContact CG2-NE2 3.41Å; I351-H353 PolarHBondContact O-N 3.35Å
354P41.9Very low46.6Very low118 Ų118125.9 Ų125.977%0.76678%0.781SS**PPolyproline II helixtrans-71.9127.8164.229.8-31.5000109.2S352 P356S352-P354 WeakPolarHBondContact O-CD 3.42Å; P354-P356 WeakPolarHBondContact O-CD 3.41Å
355M35.1Very low46Very low153 Ų153125.9 Ų125.975%0.75478%0.781SS**PPolyproline II helixtrans-71.8120.3175.5-167.380.376.400109.6H357M355-H357 PolarHBondContact O-N 3.26Å; M355-H357 PolarHBondContact O-ND1 3.02Å
356P44.2Very low44.8Very low120 Ų120128.8 Ų128.878%0.77978%0.784SS**PPolyproline II helixtrans-70.9117.9173.228.4-31.9000109.5P354P354-P356 WeakPolarHBondContact O-CD 3.41Å
357H41.3Very low43.6Very low161 Ų161130.6 Ų130.675%0.74579%0.787SS**PPolyproline II helixtrans-86.4144.6175.4-65.757.1000109.6M355M355-H357 PolarHBondContact O-N 3.26Å; M355-H357 PolarHBondContact O-ND1 3.02Å
358P41.3Very low42.4Very low114 Ų114131.2 Ų131.274%0.7479%0.789SS**PPolyproline II helixtrans-72151.1173.830.7-33.9000111
359P43.1Very low41.2Very low131 Ų131136.5 Ų136.585%0.85180%0.795SS**PPolyproline II helixtrans-74132.4-17329.7-34.6000112
360Q39.8Very low39.9Very low194 Ų194135.6 Ų135.691%0.90779%0.791SS**  trans-107.6150.9163.3-71.6-158.4-9.300111
361A33.3Very low39.4Very low104 Ų104138.8 Ų138.886%0.8680%0.795SS**  trans-71.8156.5-166.700000113.9
362A37.4Very low39.1Very low111 Ų111136.9 Ų136.992%0.91780%0.799SS**  trans-71.1145.5-178.400000113.3
363G34Very low39.7Very low63 Ų63137.2 Ų137.265%0.64980%0.799SS**  trans-18093.8173.300000115.2
364T35Very low40Very low147 Ų147135.2 Ų135.290%0.90280%0.8SS**  trans72.5143.8159.771.40000120.7
365P44.6Very low40.6Very low116 Ų116135.2 Ų135.275%0.75380%0.8SS**  trans-108.8153.4-174.739.9-31.8000113.8
366H37.4Very low41.1Very low178 Ų178133.6 Ų133.682%0.82480%0.801SS**  trans-146.2111.3159.3-126.8-100.2000113.7
367L40.5Very low41.1Very low153 Ų153136.4 Ų136.480%0.80181%0.806SS**  trans37.9119.8150.7-74.1159.3000121.6
368V40.6Very low41Very low131 Ų131135.6 Ų135.679%0.79481%0.812SS**  trans-62.5137.2161.9171.50000111.6
369Y34.5Very low41.2Very low228 Ų228135.7 Ų135.789%0.89482%0.816SS**  trans-140.9157.3147.3-151.5-98000111.7
370S34.7Very low41.3Very low88 Ų88133.8 Ų133.862%0.61581%0.811SS**  trans-95.3162.3-150.3-61.80000116.5
371Q38.1Very low41.9Very low196 Ų196130.3 Ų130.392%0.91681%0.805SS**  trans-44.1144.6175.5-59.1160.762.500116
372A38.8Very low42.8Very low94 Ų94130.7 Ų130.778%0.77780%0.799SS**  trans-147146.215400000110
373P54.9Low43.2Very low120 Ų120131.4 Ų131.478%0.77979%0.794SS**PPolyproline II helixtrans-83.7159.4-172.833.5-36.2000114
374P48.8Very low43.9Very low120 Ų120136.2 Ų136.278%0.77980%0.803SS**PPolyproline II helixtrans-83.9143.9-176.533.3-35.1000113.9
375P54.3Low44.5Very low117 Ų117135.3 Ų135.376%0.7680%0.798SS**PPolyproline II helixtrans-79.9162.4166.733.8-33.9000112.2
376P47.3Very low44.9Very low120 Ų120135.3 Ų135.378%0.77980%0.798SS**PPolyproline II helixtrans-84.3147.2-166.132.7-36.2000115.2
377M44.1Very low45.4Very low178 Ų178132.5 Ų132.588%0.87780%0.795SS**  trans17.4113.4150.3-53.3-70.286.300118.9
378T37.5Very low45.8Very low144 Ų144130.9 Ų130.988%0.88379%0.794SS**  trans-143.5148.4142.1-166.30000110.8
379S46.8Very low45.5Very low117 Ų117128.1 Ų128.182%0.81879%0.792SS**  trans-102.6105.5-166.552.70000112.7
380A44.8Very low45.6Very low90 Ų90125.6 Ų125.674%0.74479%0.788SS**  trans-161.4138.7162.300000111.6
381P51.8Low45.8Very low122 Ų122128.9 Ų128.979%0.79280%0.797SS**PPolyproline II helixtrans-81.5147.5168.233.3-32.9000111.6
382P52.9Low45.8Very low112 Ų112126.8 Ų126.873%0.72779%0.791SS**PPolyproline II helixtrans-79.1153.1-179.832.4-35.4000112.9
383P46.4Very low45.7Very low125 Ų125127 Ų12781%0.81279%0.793SS**PPolyproline II helixtrans-76.3141.7176.731.4-34.3000112.2
384I48.2Very low44.9Very low164 Ų164129.4 Ų129.484%0.84179%0.794SS**PPolyproline II helixtrans-94.3120.9178.7-57.6172.4000109.6
385T46.6Very low44.2Very low128 Ų128132.4 Ų132.479%0.78580%0.8SS**PPolyproline II helixtrans-88.1132.4169.739.50000111.3
386P53.3Low43.7Very low116 Ų116132.4 Ų132.475%0.75380%0.799SS**PPolyproline II helixtrans-85.1144173.133.1-33.1000111.9
387P49.3Very low43.8Very low119 Ų119132.5 Ų132.577%0.77380%0.8SS**PPolyproline II helixtrans-79.9154.7174.131.9-34.1000112.8
388P47.5Very low43.4Very low119 Ų119134.5 Ų134.577%0.77380%0.799SS**PPolyproline II helixtrans-77.9145-174.8-12.329.9000113.7H390P388-H390 PolarHBondContact O-CE1 3.25Å
389G35.8Very low43.4Very low74 Ų74134.9 Ų134.976%0.76379%0.793SS**  trans-84.2-179.9-168.100000117.2
390H35Very low42.8Very low175 Ų175136.1 Ų136.181%0.8179%0.791SS**  trans-136.1111.7179.3-33.2-42.5000111.1P388P388-H390 PolarHBondContact O-CE1 3.25Å
391I39.1Very low42.9Very low156 Ų156140 Ų14080%0.879%0.793SS**  trans28.896.3143.647169.4000121.2
392I39.4Very low42.8Very low152 Ų152139.9 Ų139.978%0.77979%0.792SS**  38.5122.2118.1-55.2164.5000119.3
393A35Very low42.8Very low100 Ų100140.2 Ų140.283%0.82679%0.794SS**  trans-135.2143.6141.200000109.8
394Q39.4Very low43.1Very low169 Ų169140.4 Ų140.479%0.7980%0.796SS**  trans-78.7159.6-173.7-59.9162.49.300110.2
395M33.7Very low43.2Very low184 Ų184135.6 Ų135.691%0.90679%0.786SS**  -157-162.367.2-50.4115.5141.100112
396P43.5Very low43.9Very low116 Ų116135.3 Ų135.375%0.75379%0.786SS**  -107.9165.5-112.426.3-4.2000115.7
397P49.8Very low43.9Very low122 Ų122135.3 Ų135.379%0.79279%0.787SS**  trans-82.7146.917834.4-34.1000112.1
398Y36.3Very low44.1Very low220 Ų220135.3 Ų135.386%0.86379%0.786SS**  trans-119.2124.9161.4-148.4-93.6000110.2
399M37.2Very low44Very low153 Ų153134.7 Ų134.775%0.75478%0.782SS**  trans-68.2146.2-179.9-63.899.67700111.7
400N34.4Very low44.6Very low143 Ų143140.5 Ų140.577%0.76579%0.79SS**  trans-171.187.1130.4-103.7-68.7000109.8
401H45.7Very low44.8Very low172 Ų172140.5 Ų140.580%0.79679%0.79SS**  trans-131.5130165.9-47.9-40000107.3
402P49.7Very low44.7Very low119 Ų119137.3 Ų137.377%0.77380%0.795SS**PPolyproline II helixtrans-68.1146.7170.429.5-33.2000109.9
403P53.4Low44.3Very low118 Ų118133.4 Ų133.477%0.76679%0.792SS**PPolyproline II helixtrans-69.7148.9-176.428.4-34.8000112
404P53Low44.7Very low130 Ų130134.5 Ų134.584%0.84479%0.791SS**PPolyproline II helixtrans-64137.5170.3-17.130.7000111.2
405G50.9Low45.1Very low62 Ų62132.4 Ų132.464%0.63979%0.792SS**PPolyproline II helixtrans-70.5160.5173.100000113
406P60.7Low45.4Very low122 Ų122130.5 Ų130.579%0.79279%0.79SS**PPolyproline II helixtrans-68.6154.3179.929.4-35.3000112.6
407P53.2Low45.4Very low117 Ų117131.6 Ų131.676%0.7680%0.795SS**PPolyproline II helixtrans-70.3150.4-179.830-35.6000112.4
408P52.5Low44.8Very low118 Ų118130 Ų13077%0.76679%0.793SS**PPolyproline II helixtrans-72.2146-179.129.2-34.6000112.5
409P46.9Very low45.2Very low106 Ų106125.3 Ų125.369%0.68879%0.789SS**PPolyproline II helixtrans-70.2139.9177.1-15.730.2000112.5H411P409-H411 PolarHBondContact O-N 3.22Å
410Q46.9Very low45.6Very low196 Ų196123.3 Ų123.392%0.91679%0.787SS**PPolyproline II helixtrans-79.3116.5170.4-65-162.155.300110.7
411H40.6Very low46Very low176 Ų176122.1 Ų122.182%0.81579%0.788SS**  trans-127126.6166-73.3-71.6000109.7P409P409-H411 PolarHBondContact O-N 3.22Å
412G36.1Very low45.8Very low89 Ų89123 Ų12392%0.91879%0.791SS**  trans-85.4152.9-174.800000114.1
413G32.2Very low45.2Very low69 Ų69126.6 Ų126.671%0.71180%0.797SS**  trans-161.5152.3172.700000110.3
414P43.3Very low44.2Very low123 Ų123131.1 Ų131.180%0.79980%0.801SS**  trans-82.6168-159.333.3-36.9000115
415P46.8Very low43.5Very low126 Ų126131 Ų13182%0.81879%0.793SS**  trans-85147.7-160.533.7-36.3000114.3
416V40.8Very low42.8Very low143 Ų143133.3 Ų133.387%0.86780%0.797SS**  trans-113.7119.8163.4-179.30000108.6
417T42.6Very low41.8Very low139 Ų139134.5 Ų134.585%0.85380%0.797SS**  trans-70.9127.1178.244.80000111.8
418A37.6Very low41Very low90 Ų90134.2 Ų134.274%0.74480%0.797SS**  trans-134.9142.1166.800000110.1
419P44.1Very low40.7Very low121 Ų121136.7 Ų136.779%0.78680%0.803SS**PPolyproline II helixtrans-80.6159.6-171.932.7-35.8000113.4
420P45.4Very low40.7Very low111 Ų111137.3 Ų137.372%0.72181%0.807SS**PPolyproline II helixtrans-76.5152.3-174.431.5-35.9000113.4
421P44Very low40.3Very low118 Ų118136.7 Ų136.777%0.76680%0.804SS**PPolyproline II helixtrans-76.2140.5179.231.4-34.5000112.3H423P421-H423 PolarHBondContact O-N 3.17Å
422H40.4Very low39.8Very low190 Ų190137.3 Ų137.388%0.8881%0.805SS**PPolyproline II helixtrans-70127.5177.5-72.5-95.1000112.1Y424H422-Y424 PolarHBondContact O-N 3.25Å
423H37.4Very low39.6Very low194 Ų194139.3 Ų139.390%0.89880%0.799SS**PPolyproline II helixtrans-71.3122.4167.5-66.6-89.6000110.1P421P421-H423 PolarHBondContact O-N 3.17Å
424Y32.5Very low39.6Very low214 Ų214144.7 Ų144.784%0.83981%0.806SS**PPolyproline II helixtrans-102120.3175.3-159.3-93.3000110.8H422H422-Y424 PolarHBondContact O-N 3.25Å
425N38.1Very low39.3Very low128 Ų128145 Ų14568%0.68480%0.801SS**  trans-105.2116.1179.517811.3000109.9N427N425-N427 PolarHBondContact O-N 3.06Å; N425-N427 VanDerWaalsContact O-N 3.12Å
426P37.4Very low38.6Very low109 Ų109147.2 Ų147.271%0.70880%0.8SS**  trans-9059.3-172.437.5-36.5000112.7
427N39.2Very low38.2Very low148 Ų148143.3 Ų143.379%0.79179%0.789SS**  trans-160.380.7167.2-128.1-6.6000115.2N425N425-N427 PolarHBondContact O-N 3.06Å; N425-N427 VanDerWaalsContact O-N 3.12Å
428S36.3Very low37.9Very low111 Ų111143.1 Ų143.178%0.77679%0.788SS**  trans-166.4100.2158.855.10000112.1
429L46.8Very low37.7Very low169 Ų169146.7 Ų146.789%0.88579%0.794SS**  trans-76.2143.6152.4-89.6156000108.2
430P46.6Very low37.4Very low119 Ų119146.4 Ų146.477%0.77380%0.795SS**  -140177.510936.3-22.1000114.6
431Q38.7Very low37.7Very low183 Ų183146.8 Ų146.886%0.85580%0.797SS**  trans-107.1137.3-158174.7179.8-4.800112
432F28.8Very low38.2Very low190 Ų190146.5 Ų146.583%0.83380%0.795SS**  trans-146.5123159.760.4-87.9000107
433T32Very low37.8Very low130 Ų130145.6 Ų145.680%0.79879%0.789SS**  90.5129.256.4-52.70000112.3
434E33.5Very low37.6Very low183 Ų183142.7 Ų142.786%0.85579%0.785SS**  trans-70.5155.3-162.6-159.6147.980.100116.5
435D35.7Very low37.9Very low128 Ų128139.4 Ų139.468%0.68478%0.778SS**  trans129.1144.3137.9-159.9-144.6000117.7
436Q33.3Very low38Very low173 Ų173139.3 Ų139.381%0.80878%0.784SS**  trans68.7137.9169.5-39.1-165.47.700118.9
437G31.7Very low37.6Very low62 Ų62137.2 Ų137.264%0.63978%0.782SS**  cis165.8156.2-9.500000114.7
438T36.4Very low37.5Very low135 Ų135134 Ų13483%0.82878%0.784SS**  trans83.8147.2155.774.30000122.1
439L33.8Very low37.4Very low164 Ų164137.7 Ų137.786%0.85979%0.791SS**  trans89.884158.7-48.7-172.8000121.1
440S38.1Very low36.8Very low115 Ų115135.3 Ų135.380%0.80479%0.788SS**  trans-90.8158.7141.8-46.40000109
441P50.3Low36.8Very low119 Ų119135.8 Ų135.877%0.77379%0.792SS**  -158.4-158.280.943.7-22.3000113.4
442P54.7Low36.5Very low113 Ų113130.2 Ų130.273%0.73478%0.783SS**  cis-127147.1-25.119.73.3000116.1
443F33.2Very low37Very low171 Ų171128.9 Ų128.975%0.7578%0.783SS**  34.2123.4124.4-149.1-97.7000123.1Q445F443-Q445 HydrophobicContact CE1-CB 4.45Å; F443-Q445 HydrophobicContact CZ-CB 4.32Å; F443-Q445 HydrophobicContact CZ-CG 4.38Å
444T33.8Very low37.3Very low133 Ų133134.7 Ų134.782%0.81679%0.79SS**  trans-151.3136.6131.2-26.30000111.5
445Q37.9Very low37.7Very low145 Ų145131.2 Ų131.268%0.67878%0.784SS**  trans-123.1144.1169-85.3-82.6-55.100108.2F443F443-Q445 HydrophobicContact CE1-CB 4.45Å; F443-Q445 HydrophobicContact CZ-CB 4.32Å; F443-Q445 HydrophobicContact CZ-CG 4.38Å
446P39.3Very low38.1Very low125 Ų125129.2 Ų129.281%0.81279%0.785SS**  -130.9158.9113.336.5-28.4000109.8
447G29.7Very low38.6Very low66 Ų66127.2 Ų127.268%0.6879%0.787SS**  cis149.6117.92000000104.6
448G37.9Very low39.4Very low79 Ų79135.9 Ų135.981%0.81480%0.801SS**  trans-83.6154-157.300000116.1
449M34Very low40.1Very low189 Ų189132.3 Ų132.393%0.93179%0.791SS**  trans-157.1133.3150.445.2-179.564.800111.3
450S33.3Very low41.2Very low119 Ų119130.5 Ų130.583%0.83279%0.788SS**  trans-101.8-179.5169.3-60.70000109
451P47.3Very low42Very low130 Ų130130.6 Ų130.684%0.84479%0.787SS**  -123.5141.2-51.732.7-19.2000110.7
452G31.4Very low42.4Very low65 Ų65130.5 Ų130.567%0.6779%0.786SS**  trans-147.6104.6-174.600000115.8
453I40.9Very low42.6Very low163 Ų163130.6 Ų130.684%0.83679%0.787SS**  trans54.494.1144.9-47.8148.2000116.1P455I453-P455 WeakPolarHBondContact O-CD 3.23Å
454W36.2Very low43.3Very low251 Ų251128.5 Ų128.595%0.95179%0.79SS**PPolyproline II helixtrans-86.2121.2159.9-67.694.4000110.2
455P42.4Very low43.8Very low110 Ų110133.9 Ų133.971%0.71480%0.795SS**PPolyproline II helixtrans-70.2133.7163-14.230.2000109.7I453I453-P455 WeakPolarHBondContact O-CD 3.23Å
456A45.2Very low44.1Very low86 Ų86135.2 Ų135.271%0.71181%0.806SS**PPolyproline II helixtrans-63.3144.1177.800000111.7R458A456-R458 PolarHBondContact O-N 3.34Å
457P42.2Very low44.2Very low131 Ų131138.3 Ų138.385%0.85181%0.81SS**PPolyproline II helixtrans-60123.2171.2-2032000110G459P457-G459 PolarHBondContact O-N 3.48Å
458R48.6Very low44.8Very low245 Ų245138.5 Ų138.593%0.92581%0.812SS**PPolyproline II helixtrans-63.9135.1174.6-66.2-178.6-176.2172.62.1109.1A456A456-R458 PolarHBondContact O-N 3.34Å
459G52.8Low45.4Very low60 Ų60140.5 Ų140.562%0.61981%0.811SS**PPolyproline II helixtrans-65.1169174.900000112.9P457P457-G459 PolarHBondContact O-N 3.48Å
460P56.9Low45.9Very low125 Ų125137.9 Ų137.981%0.81281%0.808SS**PPolyproline II helixtrans-62.7152.1-179.327.3-35000112.1
461P53.1Low46.2Very low118 Ų118137.5 Ų137.577%0.76681%0.805SS**PPolyproline II helixtrans-67.3151.4-177.828.6-35.3000112.4
462P60.6Low45.8Very low116 Ų116140.2 Ų140.275%0.75381%0.806SS**PPolyproline II helixtrans-72.1153.3177.331.1-35.4000112
463P57.3Low46.1Very low116 Ų116143.3 Ų143.375%0.75381%0.812SS**PPolyproline II helixtrans-71.1155.4179.929.9-35.6000112.6
464P48Very low46.4Very low127 Ų127140.4 Ų140.483%0.82580%0.804SS**PPolyproline II helixtrans-63.9142.7-179.7-21.133.3000113.3L466P464-L466 PolarHBondContact O-N 2.59Å
465R44.5Very low46.4Very low246 Ų246136.1 Ų136.193%0.92880%0.799SS**  trans-67.8112.4170.3-86.9-179.7146.6179.3-6.8110.6
466L44.5Very low46.4Very low172 Ų172136.9 Ų136.990%0.90180%0.804SS**PPolyproline II helixtrans-67.5127.4160.2-79.8160.8000109.6P464P464-L466 PolarHBondContact O-N 2.59Å
467Q42.1Very low45.9Very low190 Ų190136 Ų13689%0.88880%0.803SS**PPolyproline II helixtrans-71131.7167.8-69.2175.8-2.100109
468G41.7Very low46.6Very low70 Ų70135.4 Ų135.472%0.72280%0.799SS**PPolyproline II helixtrans-89.7145.9172.600000111.8
469P50.1Low46Very low122 Ų122133.1 Ų133.179%0.79280%0.799SS**PPolyproline II helixtrans-75.5157.7167.432.6-33.7000111.3
470P44Very low45.5Very low134 Ų134138.3 Ų138.387%0.8781%0.807SS**PPolyproline II helixtrans-78.3154.1-172.632.2-36.3000113.6
471S39.6Very low44.9Very low111 Ų111137.6 Ų137.678%0.77680%0.802SS**PPolyproline II helixtrans-103.7129.2-177.454.20000113.2
472Q40.7Very low44.1Very low186 Ų186137.2 Ų137.287%0.86979%0.794SS**  trans-146.7107153.6-70.5-15773.700112
473T36.7Very low43Very low130 Ų130140.8 Ų140.880%0.79880%0.8SS**  trans19.4162.2130.61.20000122.3
474P47.2Very low41.9Very low103 Ų103140.7 Ų140.767%0.66980%0.798SS**  -130.4-172.1-79.741.6-24.5000115.5
475L37.2Very low41.7Very low161 Ų161146.2 Ų146.284%0.84380%0.802SS**  trans84159.4166.1-58.2162.6000118.2
476P41.3Very low41.1Very low125 Ų125144.7 Ų144.781%0.81280%0.798SS**  cis-126.2-168-32.234.9-16.4000112.9
477G35.7Very low41Very low67 Ų67146.7 Ų146.769%0.69179%0.793SS**  trans-78.1-167.8-172.800000118.6
478P55.4Low41.6Very low120 Ų120141.8 Ų141.878%0.77978%0.778SS**  trans-110.2140.2-134.637.9-33.2000116
479H36.1Very low41.3Very low196 Ų196149.2 Ų149.291%0.90779%0.786SS**  trans-144.7147.5166.1-85.8-78.6000114
480H42.1Very low40.9Very low170 Ų170153.7 Ų153.779%0.78779%0.788SS**  trans-100.3134.3-175.7176.5-63.6000111.2
481P45.3Very low40.8Very low109 Ų109159.7 Ų159.771%0.70881%0.805SS**  trans-128.6149.2150.437.3-25000110.4
482D36.6Very low40.8Very low111 Ų111162.2 Ų162.259%0.59481%0.806SS**  cis-161.4149.835.5-170.7-101.5000110.5T484D482-T484 PolarHBondContact OD1-N 3.4Å; D482-T484 PolarHBondContact OD1-OG1 3.09Å
483Q37.3Very low40.9Very low191 Ų191160.9 Ų160.989%0.89380%0.803SS**  trans-106.3108.6163.9-90.8-16377.100109.4
484T34.5Very low41.1Very low114 Ų114162.6 Ų162.670%0.69980%0.803SS**  trans-149.7107.8159.939.20000113.6D482D482-T484 PolarHBondContact OD1-N 3.4Å; D482-T484 PolarHBondContact OD1-OG1 3.09Å
485R42.5Very low40.7Very low243 Ų243166.1 Ų166.192%0.91781%0.811SS**  158.2135.4107.2-166.2168.2-74164.3-2.4113.1
486Y32.9Very low40.9Very low213 Ų213166.4 Ų166.484%0.83581%0.809SS**  trans-57141.9-175.7-120.2-125.1000117
487R42.9Very low40.9Very low214 Ų214169.2 Ų169.281%0.80881%0.809SS**  22.1168.4126.9-93.6-160.4170.4-141.81.4121.6
488P53.6Low41.3Very low87 Ų87176.5 Ų176.557%0.56582%0.817SS**  cis-135.2-173.9-36.339.5-22.8000112
489Y35.1Very low40.2Very low226 Ų226180.8 Ų180.889%0.88682%0.82SS**  -172.8156124.9-115.4-81.4000113
490Y43Very low40.6Very low217 Ų217179.6 Ų179.685%0.85181%0.813SS**  trans-72.6146.3167.8-95.6-107000111.7
491Q41Very low40.4Very low260 Ų260180.5 Ų180.5100%1.21582%0.815SS**  -1550129.4-164.4101.585.400108.9

Retrieved 491 of 491 residues in 80.5 ms (Link to these results)