A0A5K4F0E9_SCHMA Loading...

TACC_C domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F0E9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 919 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M40.4Very low36Very low243 Ų243158.8 Ų158.8100%1.19783%0.829SS**  01530-71.5165.87500108.3
2S32.3Very low35.6Very low114 Ų114154.5 Ų154.580%0.79782%0.823SS**  trans-36.8127.9-179-57.20000114.7
3R32.5Very low35.2Very low227 Ų227152.5 Ų152.586%0.85783%0.826SS**  86114.168.3-95.3-175.2174.6173.6-2.9113.6
4T35.2Very low34.9Very low120 Ų120150.4 Ų150.474%0.73683%0.829SS**  trans36.9130.8133.859.50000120.5
5S35.9Very low35Very low107 Ų107146.5 Ų146.575%0.74882%0.824SS**  161.1153.3108.4-83.90000114
6E33.7Very low34.8Very low184 Ų184147.7 Ų147.786%0.8683%0.828SS**  trans-58.3153.7-174.7-63132.5117.600117.7
7S38.1Very low34.6Very low105 Ų105145.7 Ų145.773%0.73483%0.826SS**  trans-175.1145.614756.70000107.3
8H40.3Very low34.8Very low184 Ų184148.5 Ų148.585%0.85283%0.827SS**  cis-151.4147.4-0.3-116-65.4000108
9E34.3Very low34.6Very low175 Ų175150.3 Ų150.382%0.81883%0.829SS**  trans-65.9157.4159.7-59.7172.8124.800110.7
10L37.9Very low34.6Very low154 Ų154146.2 Ų146.281%0.80682%0.823SS**  trans-175107.3137.4-100.7174.3000112.9
11N35.7Very low34.7Very low134 Ų134147.3 Ų147.372%0.71782%0.821SS**  trans43.7111.6131.7-67.6-9.9000122.3
12S30.8Very low34.4Very low107 Ų107145.8 Ų145.875%0.74881%0.808SS**  37.8123.1123.863.50000121.1
13C30.4Very low34.4Very low129 Ų129144.5 Ų144.587%0.87280%0.799SS**  trans-158.4119.6135.9-131.40000112.4
14S31.7Very low34.6Very low123 Ų123140.7 Ų140.786%0.8680%0.795SS**  trans-75.6129.2161.753.10000109.4
15A35.1Very low34.9Very low92 Ų92142.9 Ų142.976%0.7680%0.801SS**  trans-136114.5174.600000111
16N31.9Very low34.9Very low165 Ų165146.1 Ų146.188%0.88281%0.809SS**  trans-74.2153.4162.3-81.1-16.6000110
17S31.9Very low35Very low114 Ų114145.6 Ų145.680%0.79781%0.807SS**  trans66.6104.5166.4-163.20000117
18K37.8Very low34.9Very low196 Ų196148.9 Ų148.985%0.85282%0.816SS**  -160.3140.2126.8-110.1166.9-173.1-179.10111.6
19E30.7Very low34.6Very low182 Ų182144 Ų14485%0.8581%0.808SS**  trans-46.9133.2170.7-71.9135.2122.300112.6
20G35.6Very low34.8Very low69 Ų69141.6 Ų141.671%0.71181%0.807SS**  trans-133.9110.3168.900000108.5F22G20-F22 PolarHBondContact O-N 3.19Å
21H36.3Very low34.8Very low169 Ų169140.7 Ų140.778%0.78281%0.808SS**  trans-61.1121.4-173-75.1-105000112.8
22F35Very low34.8Very low212 Ų212142.8 Ų142.893%0.9382%0.816SS**  trans-12382.3147.1-87.7-83.1000107.5G20G20-F22 PolarHBondContact O-N 3.19Å
23S32.5Very low35.1Very low86 Ų86144.9 Ų144.960%0.60182%0.819SS**  trans-150.879.5175-66.50000107.8
24D35.8Very low35.2Very low147 Ų147146.3 Ų146.379%0.78682%0.818SS**SBendtrans-164.9150.5163.2-84.8-40.9000105.8
25I41.5Very low35.3Very low166 Ų166150.4 Ų150.485%0.85182%0.82SS**SBendtrans93.8-13174.9-52.6164.4000118.1
26L35.2Very low35.3Very low176 Ų176151.3 Ų151.392%0.92182%0.816SS**  trans-129.955.1171.9-76.3176.4000114
27Q36.4Very low35.3Very low172 Ų172153.2 Ų153.280%0.80482%0.82SS**  trans-120.46.8-179.8-108.2-178.97.100116.3A29Q27-A29 PolarHBondContact O-N 3.24Å
28D35.9Very low35.5Very low174 Ų174152.1 Ų152.193%0.9381%0.812SS**  trans-10147.4-179.3-77-35.4000114
29A33.8Very low35.3Very low82 Ų82152.2 Ų152.268%0.67882%0.815SS**  trans-118.5109.6168.300000109.9Q27 T31Q27-A29 PolarHBondContact O-N 3.24Å; A29-T31 PolarHBondContact O-N 3.08Å; A29-T31 VanDerWaalsContact O-N 3.12Å
30P38.2Very low35.4Very low124 Ų124152.1 Ų152.181%0.80582%0.815SS**  trans-74.4106.6-171.728.2-34.1000112.2M32P30-M32 PolarHBondContact O-N 3.32Å; P30-M32 VanDerWaalsContact O-N 3.11Å
31T39.1Very low35.4Very low135 Ų135154.9 Ų154.983%0.82881%0.812SS**  trans-72.996.3168.829.90000110.8A29 N33A29-T31 PolarHBondContact O-N 3.08Å; A29-T31 VanDerWaalsContact O-N 3.12Å; T31-N33 VanDerWaalsContact C-N 3.28Å; T31-N33 PolarHBondContact O-N 3.35Å
32M34.8Very low35Very low179 Ų179152.3 Ų152.388%0.88281%0.813SS**  trans-69.379.4171.7-73.3-139.4-57.600111.9P30P30-M32 PolarHBondContact O-N 3.32Å; P30-M32 VanDerWaalsContact O-N 3.11Å
33N37.1Very low35Very low151 Ų151150.1 Ų150.181%0.80781%0.805SS**  trans-143.521.4175-118.1-7.1000114.6T31T31-N33 VanDerWaalsContact C-N 3.28Å; T31-N33 PolarHBondContact O-N 3.35Å
34N33.8Very low34.8Very low159 Ų159151.5 Ų151.585%0.8582%0.815SS**  trans-134.361.8178.7-87.7-31000113.1
35F33Very low34.6Very low209 Ų209151.3 Ų151.392%0.91781%0.814SS**  trans-158.7118.5161-98.9-89.8000103.7
36V35.1Very low34.1Very low110 Ų110148.3 Ų148.367%0.66781%0.813SS**  cis-142.5134.423.6167.30000109.6S38V36-S38 WeakPolarHBondContact CG1-OG 3.48Å
37Q32.3Very low34.1Very low206 Ų206146.5 Ų146.596%0.96380%0.803SS**  trans-102.4113.8155.9-82.8-172.7-14.100109
38S35.9Very low34Very low91 Ų91145.3 Ų145.364%0.63680%0.802SS**  trans-159.38816455.50000104.8V36V36-S38 WeakPolarHBondContact CG1-OG 3.48Å
39E32.6Very low34Very low197 Ų197144.5 Ų144.592%0.92180%0.798SS**  59.774.380.4-162.2174.5-130.800111.3
40E33.6Very low34Very low180 Ų180145.7 Ų145.784%0.84180%0.799SS**  trans-148.291.8154.5-131.3170.6-159.500112.5
41I34.7Very low34Very low127 Ų127146.8 Ų146.865%0.65180%0.803SS**  trans49.3108.4134.5-55.3170.1000118.1H43I41-H43 VanDerWaalsContact CG2-CD2 3.45Å; I41-H43 WeakPolarHBondContact CG2-CD2 3.22Å; I41-H43 PolarHBondContact O-N 3.19Å
42S28.8Very low33.7Very low116 Ų116147.6 Ų147.681%0.81180%0.797SS**  trans-59.6117.6159.1-50.60000112.2
43H34.3Very low33.8Very low165 Ų165145 Ų14576%0.76480%0.797SS**  trans-134.197.4154-82.9-55.1000111.8I41 L45I41-H43 VanDerWaalsContact CG2-CD2 3.45Å; I41-H43 WeakPolarHBondContact CG2-CD2 3.22Å; I41-H43 PolarHBondContact O-N 3.19Å; H43-L45 PolarHBondContact O-N 3.46Å
44S29.4Very low33.6Very low116 Ų116145.5 Ų145.581%0.81179%0.792SS**  trans-59.1116.9159.550.80000110.1
45L31.9Very low33.8Very low143 Ų143146.2 Ų146.275%0.74980%0.796SS**  trans-12994.4164.1-137.785000109.2H43 I47H43-L45 PolarHBondContact O-N 3.46Å; L45-I47 HydrophobicContact CD2-CD1 3.82Å; L45-I47 HydrophobicContact CD2-CG1 4.27Å
46A29.8Very low33.8Very low102 Ų102142 Ų14284%0.84379%0.787SS**  trans-76.5123.4162.900000108.1
47I36.1Very low33.9Very low139 Ų139144.4 Ų144.471%0.71380%0.795SS**  trans-134.7112.5163.5-63.9-175.3000107.1L45L45-I47 HydrophobicContact CD2-CD1 3.82Å; L45-I47 HydrophobicContact CD2-CG1 4.27Å
48D33.6Very low34.2Very low146 Ų146141.2 Ų141.278%0.78178%0.78SS**  trans-61.3145.3170.1-66.4-67.4000111.5
49N35.3Very low34Very low157 Ų157143.7 Ų143.784%0.8478%0.781SS**  trans-162.8110.4139.8-105.3-34.6000110.9
50P35.6Very low34.2Very low108 Ų108144.1 Ų144.170%0.70178%0.78SS**  trans-82.1152.8163.335-32.1000110
51V37Very low34.2Very low146 Ų146142.1 Ų142.189%0.88578%0.775SS**  trans-166.3142.6142.2134.90000109.7
52E33.1Very low34.2Very low153 Ų153142.9 Ų142.972%0.71579%0.786SS**  trans-73.6156.6-173.5-51.8166.1101.800113.4
53S37Very low34.3Very low125 Ų125145.4 Ų145.487%0.87478%0.784SS**  -158.9139.6121.438.60000111.8
54K33.1Very low34Very low161 Ų161142.5 Ų142.570%0.778%0.778SS**  trans-83.1153.2-173.9-64157.7-178.6163.30110.6
55N37.4Very low34.1Very low174 Ų174146 Ų14693%0.9378%0.779SS**  trans-153126.4130.2-97.9-28.7000111.3
56V34.1Very low33.9Very low120 Ų120143.3 Ų143.373%0.72778%0.778SS**  trans-108144.2-177.7167.80000108.1
57L36.2Very low33.9Very low160 Ų160145.6 Ų145.684%0.83878%0.776SS**  trans-147.8108.5150-88.2-179.1000112.2
58H38.8Very low33.5Very low139 Ų139145.8 Ų145.864%0.64478%0.778SS**  trans40.4107.3151.8-65.4-66.7000123.6
59E32.2Very low33.3Very low144 Ų144145.4 Ų145.467%0.67378%0.781SS**  52122.386.2-169.8-175.4-174.300119.3
60K36.8Very low32.9Very low206 Ų206146.8 Ų146.890%0.89678%0.78SS**  -156.997.6128.2-117.7178.7-174.8179.60111.8
61D32.4Very low32.7Very low138 Ų138150.7 Ų150.774%0.73879%0.788SS**  trans-74.4143.8165.4-64.8-59.4000110.9
62V34.8Very low32.3Very low143 Ų143146.9 Ų146.987%0.86778%0.779SS**  trans-139.886149.6-175.40000108.5
63E30.5Very low32.1Very low168 Ų168146.7 Ų146.779%0.78578%0.783SS**  trans-76.6139.2157.8-176.8-175.9-124.600108.7
64T28.2Very low31.7Very low104 Ų104148 Ų14864%0.63878%0.78SS**  163.6147.2129.3380000115.4
65K32.8Very low31.5Very low189 Ų189145.9 Ų145.982%0.82278%0.776SS**  trans79.699.7149.4-74.4157.3-173.1175.30119.5
66A27Very low31.1Very low88 Ų88143.4 Ų143.473%0.72776%0.759SS**  trans-32.6144.2135.800000114.5
67N30.7Very low30.7Very low149 Ų149147.8 Ų147.880%0.79777%0.768SS**  trans-163132130.1-92.9-13.6000109
68D26.9Very low30.3Very low143 Ų143147.9 Ų147.977%0.76577%0.769SS**  trans5131.1148.9-45.3-35000118.7
69V30.3Very low29.8Very low139 Ų139145.1 Ų145.184%0.84278%0.778SS**  -172.5135.195.6150.40000110.2
70F26.2Very low29.7Very low186 Ų186146 Ų14682%0.81679%0.787SS**  trans-68.8146.8175.3-78.9-111.8000112.8
71H32Very low29.1Very low190 Ų190143.3 Ų143.388%0.8878%0.781SS**  174.7143113.8-97.5-70000110.6
72G27.6Very low29Very low66 Ų66146.9 Ų146.968%0.6879%0.79SS**  trans140.929.4157.600000120.7
73N29.2Very low28.6Very low149 Ų149148.2 Ų148.280%0.79779%0.787SS**  trans61.2105.7151.2-54.711.5000119.6
74D27.7Very low28.4Very low153 Ų153149 Ų14982%0.81879%0.791SS**  trans-70154.3138.5-58.1-64.8000110.2
75D29.4Very low28.3Very low116 Ų116150.4 Ų150.462%0.6280%0.799SS**  trans166.6146.1156.5-87.7-22.7000107.8
76E29.5Very low28.1Very low122 Ų122146.8 Ų146.857%0.5779%0.793SS**  cis-162.5115.9-17.3-175.1176.8-154.700106.2
77F24.6Very low28Very low211 Ų211150.8 Ų150.893%0.92580%0.802SS**  trans-111.773.8-174.9-140.8-74.1000111.3
78L29.3Very low28Very low163 Ų163152.4 Ų152.485%0.85380%0.802SS**  trans-170.4116.5154.7-126.881.5000110.9
79G28.5Very low28.1Very low81 Ų81155.4 Ų155.484%0.83581%0.809SS**  trans-152.7105.8-179.900000112.2
80L28.5Very low27.9Very low162 Ų162155 Ų15585%0.84881%0.806SS**  trans-75133.9-165.5-82.2159.7000115.2
81L26Very low28Very low150 Ų150156.4 Ų156.479%0.78581%0.806SS**  44101.9127.6-165.177.5000117.7
82K28.4Very low27.8Very low212 Ų212154 Ų15492%0.92280%0.798SS**  trans-128.2103.5145.3-119.9176.2-173.2173.60113.1Q84K82-Q84 PolarHBondContact O-N 2.99Å
83Q27.3Very low27.9Very low172 Ų172157.3 Ų157.380%0.80480%0.8SS**  trans-42.5117.2169-176178.741.500113.5
84Q26.3Very low27.8Very low185 Ų185154.9 Ų154.986%0.86479%0.794SS**  trans-141.8103.6151.2-118.6-176.99.800111.2K82 T86K82-Q84 PolarHBondContact O-N 2.99Å; Q84-T86 PolarHBondContact O-N 2.95Å
85T25.7Very low27.9Very low132 Ų132152.5 Ų152.581%0.8179%0.79SS**  trans-59.8115.817316.40000111.1
86T28.3Very low28Very low113 Ų113154.6 Ų154.669%0.69380%0.801SS**  trans-133.2114.1156.645.30000110.5Q84 K88Q84-T86 PolarHBondContact O-N 2.95Å; T86-K88 PolarHBondContact O-N 3.27Å
87N26.1Very low28Very low173 Ų173155 Ų15593%0.92581%0.806SS**  trans-65.899.3172-75.4-38.9000109.7
88K29.7Very low28.4Very low182 Ų182152.9 Ų152.979%0.79181%0.805SS**  trans-109.292.2168.9-81.9-173.8175.9176.80110.9T86 T90T86-K88 PolarHBondContact O-N 3.27Å; K88-T90 PolarHBondContact O-N 2.86Å
89K28.8Very low28.4Very low207 Ų207153 Ų15390%0.981%0.806SS**  trans-44114166.3-171.5172-173.31700110.2R91K89-R91 PolarHBondContact O-N 3.02Å
90T27.6Very low28.6Very low129 Ų129152.9 Ų152.979%0.79179%0.792SS**  trans-61104.3-177.4-46.10000110.5K88 I92K88-T90 PolarHBondContact O-N 2.86Å; T90-I92 PolarHBondContact O-N 3.34Å
91R26.8Very low28.7Very low217 Ų217152.5 Ų152.582%0.81979%0.789SS**  trans-79.5102.6172.4-167.6-178.5-161.9173.14.3107.6K89 N93K89-R91 PolarHBondContact O-N 3.02Å; R91-N93 PolarHBondContact O-N 3.41Å
92I29.6Very low28.8Very low138 Ų138152 Ų15271%0.70879%0.786SS**  trans-65.8106.5172.5-58174.5000107.3T90 C94T90-I92 PolarHBondContact O-N 3.34Å; I92-C94 PolarHBondContact O-N 3.49Å
93N28.4Very low28.9Very low136 Ų136147.8 Ų147.873%0.72777%0.773SS**  trans-75.697.5169.8-89.3-3.5000108.4R91 S95R91-N93 PolarHBondContact O-N 3.41Å; N93-S95 VanDerWaalsContact C-N 3.34Å; N93-S95 PolarHBondContact O-N 2.88Å
94C28.1Very low29.1Very low98 Ų98146.7 Ų146.766%0.66277%0.773SS**  trans-7784.4170-63.80000110.3I92 N96I92-C94 PolarHBondContact O-N 3.49Å; C94-N96 PolarHBondContact O-N 2.9Å; C94-N96 VanDerWaalsContact O-N 3.12Å
95S29.2Very low29.3Very low104 Ų104145.9 Ų145.973%0.72777%0.767SS**  trans-75.588.3166.251.40000110N93N93-S95 VanDerWaalsContact C-N 3.34Å; N93-S95 PolarHBondContact O-N 2.88Å
96N30.9Very low29.7Very low159 Ų159145.9 Ų145.985%0.8576%0.762SS**  trans169.874153.4-88.5-15.7000110.9C94C94-N96 PolarHBondContact O-N 2.9Å; C94-N96 VanDerWaalsContact O-N 3.12Å
97L30.5Very low29.8Very low131 Ų131145.4 Ų145.469%0.68676%0.76SS**  trans-13759.5173.2-81172000110.7
98N31.9Very low30Very low167 Ų167143.2 Ų143.289%0.89375%0.748SS**  trans-92.3-5.7178.7-85.84.9000114.8
99D30.1Very low30.1Very low166 Ų166142.3 Ų142.389%0.88875%0.749SS**  trans-10829.2-178.9-64.9-41.4000113.7
100S31.8Very low30.1Very low78 Ų78137.5 Ų137.555%0.54574%0.741SS.*  trans-104.7112.5173.5-69.20000111.1I102S100-I102 PolarHBondContact O-N 3.45Å
101I31.4Very low30.1Very low153 Ų153138.9 Ų138.979%0.78575%0.749SS**  trans-62.2100.7177-57.8171.8000109.3L103I101-L103 HydrophobicContact CG2-CD2 4.1Å; I101-L103 HydrophobicContact CG2-CG 4.08Å; I101-L103 PolarHBondContact O-N 3.41Å; I101-L103 VanDerWaalsContact O-N 3.1Å
102I28.2Very low30.4Very low140 Ų140133.5 Ų133.572%0.71875%0.745SS**  trans-7795.3172.1-61.3178.3000108.2S100 N104S100-I102 PolarHBondContact O-N 3.45Å; I102-N104 VanDerWaalsContact C-N 3.26Å; I102-N104 HydrophobicContact CG2-CB 4.5Å; I102-N104 PolarHBondContact O-N 2.93Å
103L30.5Very low30.5Very low123 Ų123136.8 Ų136.864%0.64475%0.754SS**  trans-75.280.1166.6-69.2176.2000109.8I101 F105I101-L103 HydrophobicContact CG2-CD2 4.1Å; I101-L103 HydrophobicContact CG2-CG 4.08Å; I101-L103 PolarHBondContact O-N 3.41Å; I101-L103 VanDerWaalsContact O-N 3.1Å; L103-F105 HydrophobicContact CB-CD2 4.01Å; L103-F105 HydrophobicContact CB-CE2 3.99Å; L103-F105 HydrophobicContact CD1-CE2 4.31Å; L103-F105 HydrophobicContact CD2-CE2 4.14Å; L103-F105 HydrophobicContact CG-CE2 4.37Å; L103-F105 PolarHBondContact O-N 3.12Å
104N30.9Very low30.6Very low149 Ų149134 Ų13480%0.79776%0.758SS**  trans-69.593.4166.5-100.94000109.4I102I102-N104 VanDerWaalsContact C-N 3.26Å; I102-N104 HydrophobicContact CG2-CB 4.5Å; I102-N104 PolarHBondContact O-N 2.93Å
105F30.8Very low30.5Very low168 Ų168136.2 Ų136.274%0.73777%0.772SS**  trans-97103.1164.3-78.7-78.8000109.3L103 P107L103-F105 HydrophobicContact CB-CD2 4.01Å; L103-F105 HydrophobicContact CB-CE2 3.99Å; L103-F105 HydrophobicContact CD1-CE2 4.31Å; L103-F105 HydrophobicContact CD2-CE2 4.14Å; L103-F105 HydrophobicContact CG-CE2 4.37Å; L103-F105 PolarHBondContact O-N 3.12Å; F105-P107 WeakPolarHBondContact O-CD 3.49Å
106D33.9Very low30.6Very low132 Ų132136 Ų13671%0.70678%0.776SS**  trans-105.697.7173.2-159-3.4000108.9L108D106-L108 PolarHBondContact O-N 3.2Å
107P30.6Very low30.6Very low103 Ų103134.1 Ų134.167%0.66978%0.776SS**  trans-85.512.8-167.9-4.323.9000113.5F105F105-P107 WeakPolarHBondContact O-CD 3.49Å
108L30.2Very low30.5Very low128 Ų128133.3 Ų133.367%0.6778%0.779SS**  trans-134.260.5-166.3-68.4175.4000112.8D106D106-L108 PolarHBondContact O-N 3.2Å
109M32.2Very low30.4Very low162 Ų162134.7 Ų134.780%0.79878%0.78SS**  trans-130.1137.4163.1-98.7-60.8111.100114.5
110S29.5Very low30.2Very low106 Ų106135 Ų13574%0.74178%0.78SS**  trans5867168.762.60000120
111V26.5Very low30.1Very low158 Ų158137.1 Ų137.196%0.95879%0.794SS**  trans-98.982.9142.9-174.40000109
112S34Very low29.9Very low104 Ų104138.4 Ų138.473%0.72780%0.797SS**  trans-133.5101.2177.8-174.20000111.9
113K30.9Very low30Very low208 Ų208136.6 Ų136.690%0.90480%0.797SS**  trans29.3104.6153.9-66.4177.4178.2175.20118.1
114G30Very low30Very low78 Ų78136.9 Ų136.980%0.80480%0.803SS**  trans-150.785.9162.800000111.9A116G114-A116 PolarHBondContact O-N 2.92Å
115C26.9Very low29.8Very low143 Ų143136.5 Ų136.597%0.96680%0.801SS**  trans-79107.4178.5-62.30000111.6
116A31.6Very low29.9Very low99 Ų99136.7 Ų136.782%0.81880%0.804SS**  trans-154.6130.8156.400000110.7G114G114-A116 PolarHBondContact O-N 2.92Å
117S30.4Very low29.6Very low120 Ų120137.8 Ų137.884%0.83981%0.809SS**  trans-72.3162.7-174.4-68.40000114
118P28.8Very low29.8Very low115 Ų115137.4 Ų137.475%0.74781%0.807SS**  trans-91.4159.4-156.736.1-36.6000114.6
119Q29.9Very low29.8Very low196 Ų196139.8 Ų139.892%0.91681%0.814SS**  trans-115.8104154.6-80-171.4-19.700110.1
120L24.9Very low29.7Very low172 Ų172140.2 Ų140.290%0.90182%0.815SS**  trans-69.6121.2155-76.8159.9000107.5
121C29.5Very low29.5Very low123 Ų123142.9 Ų142.983%0.83182%0.82SS**  trans-13487.9162.1-144.70000109.4
122E27.3Very low29.6Very low180 Ų180142.2 Ų142.284%0.84181%0.809SS**  trans-46121.8160.1170.8-178.1-129.700111.7
123S30.8Very low29.2Very low102 Ų102142 Ų14271%0.71380%0.804SS**  trans176122.6135.833.40000116.2
124V29.6Very low29Very low128 Ų128139.5 Ų139.578%0.77680%0.798SS**  trans78.6128.2130.8178.80000121
125D26.8Very low28.9Very low142 Ų142140.8 Ų140.876%0.75979%0.791SS**  trans-61.8141.1171.2-47.4-93.8000114.9
126Q33.3Very low29Very low171 Ų171139.6 Ų139.680%0.79978%0.782SS**  trans-178.2117132.3-101.2154.382.900112.6
127L28.4Very low28.9Very low155 Ų155143.6 Ų143.681%0.81278%0.783SS**  49.8153.8125.7-64.7172.8000121.3
128P34.8Very low28.8Very low95 Ų95143.6 Ų143.662%0.61778%0.78SS**  -136.6-163.1-52.235.9-15.5000111.4
129E29.6Very low28.9Very low178 Ų178143.6 Ų143.683%0.83278%0.783SS**  trans71.9137.7169.7-56.7171.9-170.500115.6
130Q29.5Very low28.9Very low172 Ų172142 Ų14280%0.80478%0.781SS**  cis-126.6134.910.3-66.2172.9-13.100111.6
131L26.2Very low29.2Very low162 Ų162138.9 Ų138.985%0.84877%0.774SS**  trans-96.3105.6169.1-127.3143.3000107.9T133L131-T133 VanDerWaalsContact C-N 3.3Å; L131-T133 PolarHBondContact O-N 3.39Å
132I27.4Very low29Very low143 Ų143140.8 Ų140.873%0.73378%0.776SS**  trans-75.688.8172.7-61.3179.1000108.1I134I132-I134 HydrophobicContact CG2-CG1 4.05Å; I132-I134 PolarHBondContact O-N 2.88Å
133T25.7Very low29.2Very low101 Ų101139.1 Ų139.162%0.6277%0.771SS**  trans-80.6104.8166.5-58.90000108.4L131 T135L131-T133 VanDerWaalsContact C-N 3.3Å; L131-T133 PolarHBondContact O-N 3.39Å; T133-T135 PolarHBondContact O-N 3.49Å
134I27.3Very low29Very low154 Ų154140.4 Ų140.479%0.7977%0.774SS**  trans-76.194.4170.7-54.3179.4000108I132I132-I134 HydrophobicContact CG2-CG1 4.05Å; I132-I134 PolarHBondContact O-N 2.88Å
135T27.3Very low29.1Very low105 Ų105140.4 Ų140.464%0.64477%0.769SS**PPolyproline II helixtrans-80.1130.2168.7-50.60000108.6T133 E137T133-T135 PolarHBondContact O-N 3.49Å; T135-E137 PolarHBondContact O-N 2.74Å
136P30.7Very low29.3Very low119 Ų119140.8 Ų140.877%0.77377%0.771SS**PPolyproline II helixtrans-71.3116.5170.6-2.417.2000109.1
137E28.4Very low29.1Very low182 Ų182137.6 Ų137.685%0.8576%0.763SS**PPolyproline II helixtrans-69.3139.7169.6-89.2-152.914300111.2T135 S139T135-E137 PolarHBondContact O-N 2.74Å; E137-S139 PolarHBondContact O-N 2.98Å
138P27.6Very low29.4Very low120 Ų120134.2 Ų134.278%0.77975%0.752SS**  trans-86.197177.533.6-32.4000111.2
139S32.7Very low29.3Very low116 Ų116138.8 Ų138.881%0.81176%0.759SS**  trans-90.8109.217151.50000111.7E137 S141E137-S139 PolarHBondContact O-N 2.98Å; S139-S141 PolarHBondContact O-N 2.91Å
140N28.3Very low29.4Very low161 Ų161138 Ų13886%0.86175%0.749SS**  trans-60.1124.9177.5-74.8-45.5000112.6
141S30.9Very low30Very low108 Ų108132.4 Ų132.476%0.75573%0.725SS**  trans-152.7133.7142.253.30000110.8S139 I143S139-S141 PolarHBondContact O-N 2.91Å; S141-I143 PolarHBondContact O-N 3.15Å
142N27.1Very low30.5Very low163 Ų163137.3 Ų137.387%0.87273%0.732SS**  trans-71.4118.4-171.9-66.7-41.1000111.9
143I30.2Very low31.6Very low145 Ų145135.5 Ų135.574%0.74473%0.728SS**  trans-132.1108.3156.4-58.2-176.5000108.9S141 I145S141-I143 PolarHBondContact O-N 3.15Å; I143-I145 HydrophobicContact CG2-CG1 4.04Å; I143-I145 PolarHBondContact O-N 2.9Å
144T26.9Very low31.9Very low128 Ų128133.1 Ų133.179%0.78572%0.724SS**  trans-76.5105174.8-54.40000109.6
145I30.9Very low32.5Very low128 Ų128132.1 Ų132.166%0.65672%0.716SS**  trans-99.6111.1168.6-57.2-176.1000108.3I143 T147I143-I145 HydrophobicContact CG2-CG1 4.04Å; I143-I145 PolarHBondContact O-N 2.9Å; I145-T147 PolarHBondContact O-N 3.45Å
146N31.1Very low32.8Very low150 Ų150133 Ų13380%0.80272%0.715SS**  trans-63.7125.3179.8-98.6-26.6000110.9
147T30.8Very low33.1Very low105 Ų105132.5 Ų132.564%0.64471%0.705SS**  trans-77.5122.3168.735.50000109.7I145 Y149I145-T147 PolarHBondContact O-N 3.45Å; T147-Y149 WeakPolarHBondContact O-CD2 3.44Å; T147-Y149 PolarHBondContact O-N 3.31Å
148S33.1Very low33.4Very low83 Ų83128.2 Ų128.258%0.5870%0.695SS**  trans-76.4113.8174.8440000110.5
149Y34.4Very low33.7Very low192 Ų192128.8 Ų128.875%0.75370%0.699SS**PPolyproline II helixtrans-84.2125.9175.5-76.8-97.6000110.7T147T147-Y149 WeakPolarHBondContact O-CD2 3.44Å; T147-Y149 PolarHBondContact O-N 3.31Å
150Y30.9Very low33.7Very low160 Ų160131.3 Ų131.363%0.62770%0.702SS**BIsolated β-bridgetrans-82.9141168.3-68.7-91.9000110.4L156Y150-L156 HydrophobicContact CE1-CD2 4.47Å
151N42.7Very low33.7Very low55 Ų55126.3 Ų126.329%0.29469%0.688SS.*PPolyproline II helixtrans-80.5171.4167.382-5.5000111.3T153 G154 H155 I157N151-T153 PolarHBondContact ND2-OG1 2.99Å; N151-T153 PolarHBondContact O-N 2.87Å; N151-T153 WeakPolarHBondContact OD1-CA 3.31Å; N151-T153 PolarHBondContact OD1-N 2.94Å; N151-T153 PolarHBondContact OD1-OG1 3.45Å; N151-G154 PolarHBondContact O-N 2.96Å; N151-G154 PolarHBondContact OD1-N 2.82Å; N151-H155 PolarHBondContact OD1-N 3.37Å; N151-I157 HydrophobicContact CB-CD1 3.65Å; N151-I157 HydrophobicContact CB-CG1 4.23Å
152R36.8Very low33.8Very low265 Ų265129.2 Ų129.2100%170%0.695SS**THydrogen-bonded Turntrans-61.1-5.7178-93.4-174.9172.8-175.5-2.4115.5
153T50.2Low33.9Very low105 Ų105130 Ų13064%0.64469%0.694SS**THydrogen-bonded Turntrans-113.17.9176.534.80000113.8N151 H155N151-T153 PolarHBondContact ND2-OG1 2.99Å; N151-T153 PolarHBondContact O-N 2.87Å; N151-T153 WeakPolarHBondContact OD1-CA 3.31Å; N151-T153 PolarHBondContact OD1-N 2.94Å; N151-T153 PolarHBondContact OD1-OG1 3.45Å; T153-H155 VanDerWaalsContact C-N 3.31Å; T153-H155 PolarHBondContact O-N 3.36Å
154G32Very low33.8Very low52 Ų52131 Ų13154%0.53670%0.695SS.*SBendtrans76.211171.300000115.6N151N151-G154 PolarHBondContact O-N 2.96Å; N151-G154 PolarHBondContact OD1-N 2.82Å
155H40.2Very low33.9Very low133 Ų133133 Ų13362%0.61670%0.701SS**  trans-91.5140.1173.3-71-66.4000111.3N151 T153 I157N151-H155 PolarHBondContact OD1-N 3.37Å; T153-H155 VanDerWaalsContact C-N 3.31Å; T153-H155 PolarHBondContact O-N 3.36Å; H155-I157 PolarHBondContact O-N 3.08Å
156L34Very low33.6Very low122 Ų122133.6 Ų133.664%0.63970%0.703SS**BIsolated β-bridgetrans-64.6113.9165.8-76.5166.5000108.7Y150Y150-L156 HydrophobicContact CE1-CD2 4.47Å
157I35.9Very low33.5Very low110 Ų110134.6 Ų134.656%0.56471%0.709SS**  trans-90.9107.4169.5-61.3-175.7000107.9N151 H155N151-I157 HydrophobicContact CB-CD1 3.65Å; N151-I157 HydrophobicContact CB-CG1 4.23Å; H155-I157 PolarHBondContact O-N 3.08Å
158S34.5Very low33.2Very low91 Ų91134.6 Ų134.664%0.63671%0.708SS**  trans-66.5132.8158.4-61.50000108.9I160S158-I160 PolarHBondContact O-N 2.93Å
159P34.7Very low32.9Very low132 Ų132137.6 Ų137.686%0.85772%0.723SS**  trans-68.8107.6175.727.2-32.4000110.2
160I32.2Very low32.5Very low169 Ų169134.1 Ų134.187%0.86772%0.722SS**  trans-101.3139.2167.9-72.8175.9000108.5S158S158-I160 PolarHBondContact O-N 2.93Å
161G28.5Very low32.3Very low56 Ų56131.1 Ų131.158%0.57773%0.73SS**  trans125.8128.7174.900000111.6
162N32.2Very low31.5Very low170 Ų170134 Ų13491%0.90976%0.755SS**  cis-139.316418.2-62.9-40.2000112.8
163E29.5Very low31.4Very low178 Ų178126.7 Ų126.783%0.83274%0.742SS**  trans-88.8-178.7-168.9-53.9178.7158.200113.5
164E27.9Very low30.4Very low167 Ų167127.9 Ų127.978%0.7875%0.749SS**  trans60.8111.1162.4-56.8-168.1135.600118.4
165L29.3Very low30.1Very low171 Ų171133.3 Ų133.390%0.89576%0.762SS**  -164.8131.192-98166.7000112
166I25.2Very low29.5Very low139 Ų139134 Ų13471%0.71377%0.769SS**  trans-72.2139.9-178.9-64.6156.5000110.1V168I166-V168 HydrophobicContact CG2-CG2 3.88Å
167N28.4Very low29.3Very low172 Ų172133.7 Ų133.792%0.9277%0.772SS**  trans-144.5114.8146.1-112.3-25.6000111.8
168V23.7Very low28.8Very low105 Ų105134 Ų13464%0.63678%0.779SS**  trans-85.4128.1-179.4172.60000109.5I166 T170I166-V168 HydrophobicContact CG2-CG2 3.88Å; V168-T170 HydrophobicContact CG1-CG2 3.96Å
169V28Very low28.4Very low145 Ų145135.8 Ų135.888%0.87979%0.786SS**  trans-133.7119.8149.3-178.50000109.5
170T25.2Very low28Very low119 Ų119135.5 Ų135.573%0.7378%0.783SS**  trans-84.8140.8-177.747.80000113.2V168V168-T170 HydrophobicContact CG1-CG2 3.96Å
171A27.9Very low28Very low98 Ų98133 Ų13381%0.8178%0.78SS**  trans-159.2130.3142.500000110.4
172S25.4Very low28Very low116 Ų116135.5 Ų135.581%0.81179%0.789SS**  trans-131.9-159.6177.4-54.80000109.5
173P33.6Very low28Very low111 Ų111133 Ų13372%0.72179%0.785SS**  -128.4173.1-99.739.5-22.3000114.8
174T29.3Very low27.9Very low129 Ų129131.9 Ų131.979%0.79178%0.783SS**  trans-156.5110.8164.2-41.90000108.1
175M25.9Very low28Very low167 Ų167129.8 Ų129.882%0.82379%0.786SS**  78.2147.364.2-81.8-77.7-8000115.5
176I29.1Very low27.8Very low148 Ų148127 Ų12776%0.75978%0.776SS**  trans90.3135.4169.1-58.2163.1000115.9
177T28.7Very low28.1Very low114 Ų114127.5 Ų127.570%0.69979%0.786SS**  cis-167.1164.4-16.7-87.80000110.7
178T24.8Very low27.9Very low116 Ų116128.8 Ų128.871%0.71278%0.784SS**  trans-34.7166176.663.70000119.7
179T27.6Very low28.2Very low129 Ų129129.7 Ų129.779%0.79180%0.795SS**  -170.9148.881.4-55.30000114.9
180T26Very low28Very low127 Ų127128.4 Ų128.478%0.77979%0.787SS**  trans-70158.3-178.2-25.70000116.3
181S31.8Very low28.2Very low116 Ų116129.6 Ų129.681%0.81179%0.794SS**  -177.4142.8125.2-80.20000116
182S28.7Very low28.1Very low109 Ų109128.9 Ų128.976%0.76279%0.788SS**  trans-47.2159.4173.556.20000117.3
183S33.1Very low28.2Very low118 Ų118128.9 Ų128.983%0.82579%0.786SS**  -167.5169.471.953.10000116.7
184I25.7Very low27.9Very low153 Ų153131 Ų13179%0.78579%0.79SS**  trans-109.7152.6-166.5-58.9155.9000110.6T186I184-T186 HydrophobicContact CG2-CG2 4.31Å
185S30.6Very low27.8Very low123 Ų123128.5 Ų128.586%0.8678%0.778SS**  trans-150.8157.5143-153.10000113.5
186T25.3Very low27.9Very low112 Ų112126.1 Ų126.169%0.68777%0.774SS**  trans-121.6152.5-159.353.90000113.6I184I184-T186 HydrophobicContact CG2-CG2 4.31Å
187T31.1Very low27.8Very low150 Ų150126.2 Ų126.292%0.9277%0.772SS**  trans-150.9148.1142.824.40000112.2
188K25.5Very low27.7Very low200 Ų200125.9 Ų125.987%0.8777%0.769SS**  trans-90.3154.8180-60.5168.1177.5173.90110.7
189S28.7Very low27.9Very low123 Ų123127.2 Ų127.286%0.8677%0.772SS**  trans-145.1149.4140.1-164.20000110.9
190T25.2Very low27.8Very low119 Ų119126.3 Ų126.373%0.7377%0.766SS**  trans-122.2127-166.6-54.60000109
191V28.2Very low28Very low144 Ų144126.7 Ų126.787%0.87376%0.763SS**  trans-135.8121.8161.3-174.90000108.7
192A26.4Very low27.7Very low82 Ų82128.6 Ų128.668%0.67876%0.759SS**  trans-98.4151.5172.600000110
193P27.6Very low27.8Very low117 Ų117133 Ų13376%0.7677%0.765SS**  trans-88-169.3-177.238-37.9000112.6
194L25.9Very low27.6Very low155 Ų155133.7 Ų133.781%0.81276%0.759SS**  trans101.3139.4176.3-59162.8000113.7
195S27.8Very low27.6Very low77 Ų77131.9 Ų131.954%0.53876%0.76SS.*  cis-159.2158.5-10.4-132.60000108.4
196P27.8Very low27.8Very low116 Ų116131 Ų13175%0.75375%0.752SS**  trans-79.1152.1-179.333.6-33.9000111.6
197H27.7Very low28Very low151 Ų151132 Ų13270%0.69976%0.762SS**  trans-118.7118.6162.2-140.7-69.6000111
198V26.2Very low27.8Very low107 Ų107131.6 Ų131.665%0.64875%0.754SS**  trans-63146.2168.4175.70000108.9V200V198-V200 HydrophobicContact CG1-CG2 3.76Å
199N29.2Very low28.1Very low143 Ų143129.8 Ų129.877%0.76575%0.754SS**  trans-132.8132.6146.3-150.121.9000110.8
200V25.2Very low28.1Very low110 Ų110129.2 Ų129.267%0.66775%0.745SS**  trans-109.5117.3178.8172.30000106.8V198V198-V200 HydrophobicContact CG1-CG2 3.76Å
201D29.9Very low28.3Very low136 Ų136131.6 Ų131.673%0.72775%0.752SS**  trans-125.879.5168-88.7-47.4000111
202Q26.4Very low28.3Very low155 Ų155131.5 Ų131.572%0.72474%0.742SS**  trans0.7112.9134.5-18017568.900116.8
203F30.4Very low28.4Very low201 Ų201137.4 Ų137.488%0.88275%0.746SS**  trans-139.9134.2149.4-101-81.4000112.1
204N28.2Very low28.4Very low133 Ų133138.6 Ų138.671%0.71175%0.745SS**  trans-69.6165.6178.9-44.8-74.8000110.4
205S27.4Very low28.3Very low115 Ų115137.5 Ų137.580%0.80475%0.745SS**  cis-17217238.6-138.90000109.8
206P33.2Very low28.2Very low106 Ų106139.9 Ų139.969%0.68876%0.756SS**  trans-101.5173.3-164.740.2-36.2000115.5
207C29.8Very low28Very low133 Ų133140.3 Ų140.390%0.89976%0.757SS**  trans-141.5116.2151.5-82.90000109.7
208D26.5Very low28Very low141 Ų141139.2 Ų139.275%0.75476%0.76SS**  trans-72.6151.7163.7-72.6-68.3000110.4
209D33Very low27.9Very low162 Ų162139.9 Ų139.987%0.86677%0.767SS**  trans-158.398.3130.7-113.7-21.9000113.4
210V27.8Very low27.9Very low110 Ų110139.9 Ų139.967%0.66777%0.772SS**  trans2.3128.8141-1770000117.9
211I30.8Very low27.9Very low170 Ų170143.1 Ų143.187%0.87278%0.777SS**  -158.7132.1121-99.5152.1000111.2
212Q27.7Very low27.6Very low141 Ų141142 Ų14266%0.65978%0.776SS**  trans-93.7172.2179.2-64.5174.2-22.600112.1
213R27.6Very low27.6Very low206 Ų206141.6 Ų141.678%0.77778%0.783SS**  trans93.8106.4131.9-126.1-173.7-71.9156.1-2.1117.7
214I28.8Very low27.1Very low143 Ų143138.3 Ų138.373%0.73378%0.784SS**  166.7126.996.8-80.6173000108.9
215T23.2Very low27.1Very low131 Ų131137.8 Ų137.880%0.80479%0.791SS**  trans-97.9134.9172-39.80000109.5
216T25.9Very low26.9Very low127 Ų127138.7 Ų138.778%0.77979%0.792SS**  trans-145.5128.4160.1-42.80000110.9
217T23.3Very low26.6Very low125 Ų125137.3 Ų137.377%0.76780%0.797SS**  trans-111.7135.6178.830.20000110.8
218V26.8Very low26.4Very low128 Ų128137 Ų13778%0.77679%0.791SS**  trans-145.3122.3161.5-174.60000109.9
219P25.7Very low26.5Very low122 Ų122139.2 Ų139.279%0.79280%0.796SS**  trans-104.1145.3172.536.6-29.7000112.3
220V27.8Very low26.1Very low143 Ų143139 Ų13987%0.86779%0.794SS**  trans-135.1145.2169.3-176.80000111.2
221K25.3Very low26.1Very low178 Ų178142 Ų14277%0.77481%0.806SS**  trans-104139.9-167-119177.5178.91780112.3
222T23.8Very low25.7Very low113 Ų113139.4 Ų139.469%0.69380%0.802SS**  trans25.9132.2138.5580000120.7
223T26.2Very low25.8Very low145 Ų145137.6 Ų137.689%0.8981%0.805SS**  -170.3145.3112.123.80000112.2
224C20.5Very low25.6Very low132 Ų132133 Ų13389%0.89281%0.805SS**  trans-91.5155.1178.6-47.50000112.2
225S27.1Very low25.7Very low123 Ų123136.1 Ų136.186%0.8681%0.814SS**  trans-157.9134.3146.2-164.30000111.9
226T24.3Very low26.1Very low133 Ų133134.7 Ų134.782%0.81681%0.809SS**  trans-76.7147-176.8-43.60000112.2
227G27.3Very low26Very low77 Ų77134.5 Ų134.579%0.79481%0.808SS**  trans-162.896.7172.800000112.5
228V25.8Very low26.2Very low127 Ų127136.5 Ų136.577%0.7781%0.813SS**  trans-83.3133.2174.9171.60000109.6
229E28.1Very low26.2Very low188 Ų188134.5 Ų134.588%0.87981%0.81SS**  trans-164.1138.3137.9-114.8170.9-155.400113.7
230L24Very low26.4Very low156 Ų156136.1 Ų136.182%0.81781%0.812SS**  trans-87.1132.6174.4-80.7147.4000110.2
231L27.4Very low26.4Very low175 Ų175139.1 Ų139.192%0.91681%0.813SS**  trans-144.3132.5154.1-84-177000112.7
232S23.6Very low26.6Very low114 Ų114136.4 Ų136.480%0.79782%0.817SS**  trans-101138.4174.2-55.20000111
233S28.7Very low26.9Very low103 Ų103136.1 Ų136.172%0.7282%0.819SS**  trans-157.7111.5163.956.40000108.9
234S25.2Very low27.2Very low111 Ų111138.4 Ų138.478%0.77682%0.817SS**  73.910264.6-610000115
235F29.7Very low27.5Very low207 Ų207138.5 Ų138.591%0.90881%0.814SS**  trans-140.3101.8154.4-81.7-85.8000106
236S31.7Very low27.5Very low101 Ų101138.7 Ų138.771%0.70681%0.814SS**  75.686.768.6-173.60000115.4
237T24.8Very low27.8Very low123 Ų123138.2 Ų138.276%0.75581%0.813SS**  trans30.9126.4131.111.30000121
238L26.3Very low27.6Very low167 Ų167138.9 Ų138.987%0.87481%0.811SS**  -144.899129.4-163.469.3000111.3
239A26.2Very low27.6Very low87 Ų87138.9 Ų138.972%0.71981%0.811SS**  trans-97.9113.3173.100000109.6
240N30.2Very low27.4Very low156 Ų156135.5 Ų135.583%0.83480%0.803SS**  trans-103.2115177.5-134-9.2000110.5
241K29.3Very low27.5Very low205 Ų205132.4 Ų132.489%0.89180%0.795SS**  trans-85.3115.9-178.8-68.8175.6178.3174.90110.2
242S28.5Very low27.3Very low122 Ų122130 Ų13085%0.85378%0.781SS**  trans-147.5111.2154.5-171.40000110.4
243S29.1Very low27.3Very low106 Ų106130.8 Ų130.874%0.74178%0.782SS**  trans-82.6132.4-179.954.20000111.9
244K33.6Very low27.1Very low193 Ų193131.9 Ų131.984%0.83978%0.78SS**  trans-172.5103.2132.4-103.1161.1-172.7-177.90111.9
245T27.5Very low27.1Very low135 Ų135130.8 Ų130.883%0.82878%0.777SS**  trans32.998.9142.851.50000118.7
246C26.6Very low27Very low126 Ų126125.8 Ų125.885%0.85176%0.764SS**  trans-138.1156.9136.9-107.90000109.1
247P30.4Very low26.8Very low123 Ų123126.5 Ų126.580%0.79976%0.764SS**  trans-67.8154.2-166.5-20.233.8000113.9V249P247-V249 PolarHBondContact O-N 3.19Å
248A22.5Very low27Very low91 Ų91126.4 Ų126.475%0.75276%0.757SS**  trans-63.1119.1-177.500000112.5
249V26.2Very low27Very low128 Ų128126.5 Ų126.578%0.77675%0.747SS**  trans-83.7103.7150.6178.40000106.2P247 S251P247-V249 PolarHBondContact O-N 3.19Å; V249-S251 PolarHBondContact O-N 3.01Å
250T24.2Very low27.2Very low116 Ų116123.4 Ų123.471%0.71272%0.72SS**  trans-74.972.2175.5-45.40000109.3I252T250-I252 VanDerWaalsContact C-N 3.29Å; T250-I252 HydrophobicContact CG2-CG1 4.12Å; T250-I252 PolarHBondContact O-N 3.32Å
251S25.8Very low27.5Very low91 Ų91120.5 Ų120.564%0.63671%0.71SS**  trans-65.395.4164.9-64.30000107.6V249 T253V249-S251 PolarHBondContact O-N 3.01Å; S251-T253 PolarHBondContact O-N 2.69Å
252I23.3Very low27.9Very low125 Ų125119 Ų11964%0.64170%0.699SS**  trans-66.191.1170.3-60.9176.3000106.4T250 N254T250-I252 VanDerWaalsContact C-N 3.29Å; T250-I252 HydrophobicContact CG2-CG1 4.12Å; T250-I252 PolarHBondContact O-N 3.32Å; I252-N254 HydrophobicContact CG2-CB 4.25Å; I252-N254 VanDerWaalsContact CG2-CG 3.5Å; I252-N254 VanDerWaalsContact CG2-OD1 3.25Å; I252-N254 WeakPolarHBondContact CG2-OD1 3.31Å; I252-N254 PolarHBondContact O-N 3Å
253T24.6Very low28.5Very low131 Ų131122 Ų12280%0.80469%0.691SS**  trans-68.773.7159.842.90000107.7S251 A255S251-T253 PolarHBondContact O-N 2.69Å; T253-A255 PolarHBondContact O-N 3.19Å
254N24.3Very low29Very low126 Ų126122.7 Ų122.767%0.67468%0.683SS**  trans-61.988.1154.6-83.8-13.5000105.8I252 T256I252-N254 HydrophobicContact CG2-CB 4.25Å; I252-N254 VanDerWaalsContact CG2-CG 3.5Å; I252-N254 VanDerWaalsContact CG2-OD1 3.25Å; I252-N254 WeakPolarHBondContact CG2-OD1 3.31Å; I252-N254 PolarHBondContact O-N 3Å; N254-T256 PolarHBondContact O-N 3.48Å; N254-T256 PolarHBondContact O-OG1 3.41Å
255A24.4Very low28.9Very low88 Ų88122.6 Ų122.673%0.72768%0.677SS**  trans-64.969.6152.400000106.7T253 T257T253-A255 PolarHBondContact O-N 3.19Å; A255-T257 PolarHBondContact O-N 2.87Å
256T27.5Very low29.6Very low102 Ų102118.1 Ų118.163%0.62665%0.651SS**  trans-59.199.1167.1-40.60000104.1N254 I258N254-T256 PolarHBondContact O-N 3.48Å; N254-T256 PolarHBondContact O-OG1 3.41Å; T256-I258 PolarHBondContact O-N 3.39Å
257T27.6Very low30.2Very low115 Ų115117.9 Ų117.971%0.70665%0.646SS**  trans-63.799168.9-59.80000103.6A255 Y259A255-T257 PolarHBondContact O-N 2.87Å; T257-Y259 PolarHBondContact O-N 2.92Å
258I29Very low30.7Very low121 Ų121114.7 Ų114.762%0.62162%0.622SS**  trans-67.793.1-178.4-62.4-179.6000105.4T256 S260T256-I258 PolarHBondContact O-N 3.39Å; I258-S260 PolarHBondContact O-N 3.48Å
259Y26.6Very low31.6Very low170 Ų170114.1 Ų114.167%0.66761%0.606SS**  trans-80.469.3-175-150.8-77.7000107.2T257 P261 H264T257-Y259 PolarHBondContact O-N 2.92Å; Y259-P261 VanDerWaalsContact O-CD 3.24Å; Y259-P261 WeakPolarHBondContact O-CD 3.45Å; Y259-P261 VanDerWaalsContact O-N 3.12Å; Y259-H264 AromaticContact CE1-NE2 3.47Å; Y259-H264 WeakPolarHBondContact CE1-NE2 3.42Å; Y259-H264 AromaticContact CZ-NE2 3.77Å; Y259-H264 PolarHBondContact OH-NE2 3.31Å
260S30.1Very low32.6Very low21 Ų21115.1 Ų115.115%0.14760%0.602CS.*  trans-56.2117.6175.8-73.50000108.2I258 W262 R263 E796I258-S260 PolarHBondContact O-N 3.48Å; S260-W262 PolarHBondContact O-N 3.41Å; S260-R263 PolarHBondContact O-N 2.99Å; S260-E796 PolarHBondContact OG-OE1 2.64Å
261P36.1Very low33.3Very low96 Ų96111.5 Ų111.562%0.62358%0.584SS**G310 helixtrans-55.5-29.5-179.4-26.335.7000112.3Y259 R263 H264Y259-P261 VanDerWaalsContact O-CD 3.24Å; Y259-P261 WeakPolarHBondContact O-CD 3.45Å; Y259-P261 VanDerWaalsContact O-N 3.12Å; P261-R263 VanDerWaalsContact C-N 3.29Å; P261-R263 PolarHBondContact O-N 2.96Å; P261-H264 PolarHBondContact O-N 3.44Å
262W38.2Very low34.3Very low174 Ų174111.7 Ų111.766%0.65958%0.577SS**G310 helixtrans-68.1-16178.9-49107.4000115.2S260 H264 E796S260-W262 PolarHBondContact O-N 3.41Å; W262-H264 VanDerWaalsContact C-N 3.25Å; W262-H264 PolarHBondContact O-N 3.5Å; W262-E796 VanDerWaalsContact CD1-OE1 3.29Å
263R41.6Very low34.8Very low183 Ų183108 Ų10869%0.69157%0.57SS**G310 helixtrans-77.1-9.3175.5-76.2-169179-124.3-1.8113.6S260 P261 R265S260-R263 PolarHBondContact O-N 2.99Å; P261-R263 VanDerWaalsContact C-N 3.29Å; P261-R263 PolarHBondContact O-N 2.96Å; R263-R265 VanDerWaalsContact C-N 3.34Å; R263-R265 PolarHBondContact O-N 3.48Å
264H38.8Very low35.2Very low121 Ų121103.8 Ų103.856%0.5655%0.553SS**SBendtrans-72.393162.6-77.7-77.2000109.8Y259 P261 W262 S266Y259-H264 AromaticContact CE1-NE2 3.47Å; Y259-H264 WeakPolarHBondContact CE1-NE2 3.42Å; Y259-H264 AromaticContact CZ-NE2 3.77Å; Y259-H264 PolarHBondContact OH-NE2 3.31Å; P261-H264 PolarHBondContact O-N 3.44Å; W262-H264 VanDerWaalsContact C-N 3.25Å; W262-H264 PolarHBondContact O-N 3.5Å; H264-S266 PolarHBondContact O-N 3.01Å
265R32.2Very low35.5Very low192 Ų192101.3 Ų101.373%0.72556%0.557SS**  trans-40137.8162.1-75.8174.9153.1-130.3-7109.7R263 D276R263-R265 VanDerWaalsContact C-N 3.34Å; R263-R265 PolarHBondContact O-N 3.48Å; R265-D276 IonicContact CZ-OD2 3.62Å; R265-D276 IonicContact NH1-OD2 3.83Å; R265-D276 PolarHBondContact NH1-OD2 3.32Å; R265-D276 IonicContact NH2-OD2 2.66Å; R265-D276 PolarHBondContact NH2-OD2 3.1Å
266S42.3Very low36.3Very low40 Ų40102.8 Ų102.828%0.2855%0.553SS.*  trans77.778.2166.6-172.20000118.7H264 Q270H264-S266 PolarHBondContact O-N 3.01Å; S266-Q270 WeakPolarHBondContact OG-CB 3.38Å; S266-Q270 VanDerWaalsContact OG-CD 3.25Å; S266-Q270 WeakPolarHBondContact OG-CG 3.4Å; S266-Q270 PolarHBondContact OG-N 2.85Å; S266-Q270 PolarHBondContact OG-NE2 2.98Å
267V39.2Very low36.6Very low122 Ų122100.7 Ų100.774%0.73955%0.551SS**SBendtrans-107-48.8131.9-178.90000109.5N269 Q270 A271V267-N269 PolarHBondContact O-N 3.03Å; V267-Q270 PolarHBondContact O-N 3.09Å; V267-A271 PolarHBondContact O-N 3.44Å
268L39.9Very low37.1Very low56 Ų56103 Ų10329%0.29356%0.559SS.*Hα-helixtrans-65.2-38.1177.3-126.780000113.5Q270 A271 L272 Q803L268-Q270 VanDerWaalsContact C-N 3.32Å; L268-Q270 PolarHBondContact O-N 3.41Å; L268-A271 PolarHBondContact O-N 3.27Å; L268-L272 HydrophobicContact CD2-CD1 4.06Å; L268-L272 HydrophobicContact CG-CD1 4.12Å; L268-L272 WeakPolarHBondContact O-CB 3.41Å; L268-L272 WeakPolarHBondContact O-CG 3.4Å; L268-L272 PolarHBondContact O-N 2.84Å; L268-Q803 HydrophobicContact CD2-CG 4.08Å
269N42.7Very low37.5Very low79 Ų79105 Ų10542%0.42257%0.571SS.*Hα-helixtrans-69.6-30177.8-71.415.2000112.4V267 G273 G274V267-N269 PolarHBondContact O-N 3.03Å; N269-G273 PolarHBondContact O-N 3.4Å; N269-G273 VanDerWaalsContact O-N 3.09Å; N269-G274 PolarHBondContact O-N 3.47Å
270Q45.7Very low37.9Very low148 Ų148106.4 Ų106.469%0.69258%0.584SS**Hα-helixtrans-68.3-40.4168.9-103.5161.346.400111.5S266 V267 L268S266-Q270 WeakPolarHBondContact OG-CB 3.38Å; S266-Q270 VanDerWaalsContact OG-CD 3.25Å; S266-Q270 WeakPolarHBondContact OG-CG 3.4Å; S266-Q270 PolarHBondContact OG-N 2.85Å; S266-Q270 PolarHBondContact OG-NE2 2.98Å; V267-Q270 PolarHBondContact O-N 3.09Å; L268-Q270 VanDerWaalsContact C-N 3.32Å; L268-Q270 PolarHBondContact O-N 3.41Å
271A39.7Very low37.8Very low40 Ų40108.8 Ų108.833%0.33161%0.611SS.*Hα-helixtrans-71.9-26.4177.900000114.1V267 L268V267-A271 PolarHBondContact O-N 3.44Å; L268-A271 PolarHBondContact O-N 3.27Å
272L45.8Very low37.6Very low95 Ų95107.4 Ų107.450%0.49762%0.615SS.*Hα-helixtrans-110.35.1-174.3-63.1174.1000114.5L268 V810L268-L272 HydrophobicContact CD2-CD1 4.06Å; L268-L272 HydrophobicContact CG-CD1 4.12Å; L268-L272 WeakPolarHBondContact O-CB 3.41Å; L268-L272 WeakPolarHBondContact O-CG 3.4Å; L268-L272 PolarHBondContact O-N 2.84Å; L272-V810 HydrophobicContact CD1-CG2 4.45Å; L272-V810 HydrophobicContact CD2-CG2 4.25Å
273G34Very low37.1Very low47 Ų47107 Ų10749%0.48563%0.626SS.*THydrogen-bonded Turntrans73.126173.400000115.5N269 G275N269-G273 PolarHBondContact O-N 3.4Å; N269-G273 VanDerWaalsContact O-N 3.09Å; G273-G275 PolarHBondContact O-N 3.48Å
274G33.5Very low36.5Very low44 Ų44103.3 Ų103.345%0.45463%0.628SS.*  trans-88.783-178.600000113.2N269N269-G274 PolarHBondContact O-N 3.47Å
275G31.2Very low36.1Very low74 Ų74102.7 Ų102.776%0.76364%0.637SS**  trans-85.3119.416600000111.3G273G273-G275 PolarHBondContact O-N 3.48Å
276D41.2Very low36.2Very low119 Ų11996.6 Ų96.664%0.63662%0.622SS**  trans-68.6135.3168.8-88.4-24.1000110.1R265R265-D276 IonicContact CZ-OD2 3.62Å; R265-D276 IonicContact NH1-OD2 3.83Å; R265-D276 PolarHBondContact NH1-OD2 3.32Å; R265-D276 IonicContact NH2-OD2 2.66Å; R265-D276 PolarHBondContact NH2-OD2 3.1Å
277G34.2Very low35.6Very low57 Ų57102.3 Ų102.359%0.58865%0.645SS**SBendtrans82.1107.9150.200000118D279G277-D279 PolarHBondContact O-N 3.05Å
278D36.4Very low35.2Very low163 Ų163105.7 Ų105.787%0.87264%0.644SS**  57.757.4126.7-46.8-17.8000118.8
279D39.2Very low34.6Very low163 Ų163106.7 Ų106.787%0.87266%0.661SS**  trans-148.8140.4150.7-109.6-31.6000112.7G277 G281G277-D279 PolarHBondContact O-N 3.05Å; D279-G281 PolarHBondContact O-N 2.98Å
280E33.2Very low33.8Very low201 Ų201108 Ų10894%0.93968%0.676SS**THydrogen-bonded Turntrans-66.7122.1-174.7-74.3-110-172.700112.8
281G29.7Very low32.8Very low70 Ų70109.7 Ų109.772%0.72268%0.682SS**THydrogen-bonded Turntrans108.712156.900000119.2D279 N283D279-G281 PolarHBondContact O-N 2.98Å; G281-N283 PolarHBondContact O-N 3.03Å
282G30.6Very low32.2Very low68 Ų68112.7 Ų112.770%0.70170%0.7SS**  trans-84.868.8-176.200000117.2S284G282-S284 VanDerWaalsContact C-N 3.31Å; G282-S284 PolarHBondContact O-N 3.43Å
283N28Very low31.3Very low165 Ų165115.1 Ų115.188%0.88271%0.712SS**  trans-76.571.8176-69.120.8000113.1G281G281-N283 PolarHBondContact O-N 3.03Å
284S29.2Very low31Very low105 Ų105119.5 Ų119.573%0.73472%0.724SS**  trans-110.877.9-178.5-63.90000112.8G282G282-S284 VanDerWaalsContact C-N 3.31Å; G282-S284 PolarHBondContact O-N 3.43Å
285S30.1Very low30.8Very low108 Ų108124.5 Ų124.576%0.75574%0.74SS**  trans-68.9138.6161.8-66.90000110.2E287S285-E287 PolarHBondContact O-N 2.88Å
286P34.1Very low30.9Very low64 Ų64125.6 Ų125.642%0.41673%0.728SS.*  trans-66.3117.3169.2-1427.8000110W288P286-W288 PolarHBondContact O-N 3.12Å
287E29.9Very low30.3Very low160 Ų160126.8 Ų126.875%0.74874%0.735SS**  trans-71.494.5170.5-74.3177.2161.300109.1S285 A289S285-E287 PolarHBondContact O-N 2.88Å; E287-A289 PolarHBondContact O-N 2.76Å
288W31.1Very low30.2Very low193 Ų193134 Ų13473%0.73175%0.75SS**  trans-7465166.8-70.687.9000110.5P286 F291P286-W288 PolarHBondContact O-N 3.12Å; W288-F291 HydrophobicContact CZ3-CE2 4.24Å
289A26.8Very low29.9Very low78 Ų78134.6 Ų134.665%0.64575%0.752SS**  trans-94.6140.5165.600000109.2E287E287-A289 PolarHBondContact O-N 2.76Å
290S26Very low29.5Very low105 Ų105135.3 Ų135.373%0.73475%0.75SS**  trans81.152.3175.4-49.80000118.2S292S290-S292 PolarHBondContact O-N 3.19Å
291F25.3Very low29.2Very low185 Ų185134 Ų13481%0.81174%0.744SS**  trans-87.674.6134.1-93.6-80.8000109W288 I293W288-F291 HydrophobicContact CZ3-CE2 4.24Å; F291-I293 PolarHBondContact O-N 3.07Å; F291-I293 VanDerWaalsContact O-N 3.15Å
292S26.9Very low29.2Very low102 Ų102137.8 Ų137.871%0.71375%0.746SS**  trans-72.2101.6164.5-62.70000107.5S290 L294S290-S292 PolarHBondContact O-N 3.19Å; S292-L294 PolarHBondContact O-N 3.5Å
293I26.9Very low29Very low147 Ų147140 Ų14075%0.75474%0.742SS**  trans-62.9107.9166.3-62.3176.4000106.3F291 N295F291-I293 PolarHBondContact O-N 3.07Å; F291-I293 VanDerWaalsContact O-N 3.15Å; I293-N295 VanDerWaalsContact C-N 3.29Å; I293-N295 PolarHBondContact O-N 3.24Å
294L28.3Very low29.1Very low139 Ų139139.7 Ų139.773%0.72874%0.739SS**  trans-67.289.8175.3-174.478000107.9S292 D296S292-L294 PolarHBondContact O-N 3.5Å; L294-D296 WeakPolarHBondContact CD2-OD2 3.37Å; L294-D296 HydrophobicContact CG-CB 4.35Å; L294-D296 WeakPolarHBondContact CG-OD2 3.36Å; L294-D296 PolarHBondContact O-N 3.39Å
295N28.3Very low29Very low148 Ų148141 Ų14179%0.79174%0.736SS**  trans-82.455.8-175.2-154.134.8000111.1I293 N297I293-N295 VanDerWaalsContact C-N 3.29Å; I293-N295 PolarHBondContact O-N 3.24Å; N295-N297 PolarHBondContact O-N 2.99Å
296D33Very low28.8Very low97 Ų97146.2 Ų146.252%0.51974%0.739SS.*  trans-82.492.6179.1-85.5-28.4000111.1L294 K298L294-D296 WeakPolarHBondContact CD2-OD2 3.37Å; L294-D296 HydrophobicContact CG-CB 4.35Å; L294-D296 WeakPolarHBondContact CG-OD2 3.36Å; L294-D296 PolarHBondContact O-N 3.39Å; D296-K298 PolarHBondContact O-N 3.37Å
297N29.5Very low28.4Very low145 Ų145152.1 Ų152.178%0.77576%0.761SS**SBendtrans33.477.8142.7-63-44.6000118.3N295N295-N297 PolarHBondContact O-N 2.99Å
298K31.3Very low28.2Very low207 Ų207150.1 Ų150.190%0.977%0.765SS**  trans167.486.5137.3-95.4171.7178.7-177.30111.3D296D296-K298 PolarHBondContact O-N 3.37Å
299L30.7Very low28.1Very low176 Ų176150.4 Ų150.492%0.92178%0.775SS**  trans-130.5134.4151.8-89.6172.8000109.1
300Q30.6Very low28.1Very low179 Ų179154.6 Ų154.684%0.83679%0.785SS**  trans-75162.4-167.7-69.4164.5-51.300112.2I302Q300-I302 PolarHBondContact O-N 3.36Å; Q300-I302 VanDerWaalsContact O-N 3.12Å
301E26.6Very low28.2Very low173 Ų173156.9 Ų156.981%0.80878%0.784SS**  trans-51.6112.1173-61.2166112.100111.8N303E301-N303 PolarHBondContact O-N 2.86Å
302I29.1Very low28.4Very low149 Ų149159.3 Ų159.376%0.76479%0.79SS**  trans-93.580.3159.8-66.3-178.8000107.6Q300 I304Q300-I302 PolarHBondContact O-N 3.36Å; Q300-I302 VanDerWaalsContact O-N 3.12Å; I302-I304 HydrophobicContact CG2-CD1 3.89Å; I302-I304 HydrophobicContact CG2-CG1 3.71Å; I302-I304 PolarHBondContact O-N 3.4Å
303N26.9Very low28.5Very low116 Ų116161.2 Ų161.262%0.6279%0.792SS**  trans-73.993.6163.9-95.9-47000108.9E301 I305E301-N303 PolarHBondContact O-N 2.86Å; N303-I305 VanDerWaalsContact C-N 3.3Å; N303-I305 PolarHBondContact O-N 3.45Å; N303-I305 VanDerWaalsContact O-N 3.15Å
304I29.6Very low29Very low157 Ų157162.3 Ų162.381%0.80580%0.799SS**  trans-85.282.7165.3-62.8173.7000108.3I302I302-I304 HydrophobicContact CG2-CD1 3.89Å; I302-I304 HydrophobicContact CG2-CG1 3.71Å; I302-I304 PolarHBondContact O-N 3.4Å
305I28Very low29.1Very low134 Ų134159 Ų15969%0.68780%0.798SS**  trans-82.9144.3166.2-68175.2000108.8N303N303-I305 VanDerWaalsContact C-N 3.3Å; N303-I305 PolarHBondContact O-N 3.45Å; N303-I305 VanDerWaalsContact O-N 3.15Å
306R25.1Very low29.5Very low216 Ų216159.1 Ų159.182%0.81580%0.799SS**  trans-37.4136.7172.2-62.7168.5167.4178.4-4.5114.1
307Q25.7Very low29.6Very low188 Ų188160.2 Ų160.288%0.87981%0.805SS**  162.4120.3121.1-90.517417.400111.5
308S26.4Very low29.9Very low118 Ų118158.9 Ų158.983%0.82580%0.798SS**  trans17586.2148.928.80000111.2
309Q28.2Very low30.2Very low200 Ų200153.7 Ų153.794%0.93578%0.78SS**  trans-108.5122.2147.4-75.9-172.95.200106.1
310L28.7Very low30.4Very low165 Ų165149.6 Ų149.686%0.86476%0.759SS**  trans-114.5129.8176.6-107.9159.4000107.6
311E27.2Very low30.4Very low154 Ų154149.3 Ų149.372%0.7276%0.762SS**  trans-67.7146.8-175.3-59.9165113.200112.1
312Y29.2Very low30.7Very low236 Ų236146.2 Ų146.293%0.92576%0.758SS**  trans-143113.8146.4-95.2-77.9000109.3
313N29.1Very low30.7Very low141 Ų141146.8 Ų146.875%0.75476%0.758SS**  trans-82.3145.4173.7-78.7-50.4000110.8
314D37Very low31.2Very low171 Ų171148.5 Ų148.591%0.91477%0.767SS**  trans-163126.3136.1-127.7-17.6000113.9
315G31.6Very low31.4Very low68 Ų68149 Ų14970%0.70177%0.77SS**  trans95.473.4133.400000123.7
316N36.9Very low31.6Very low151 Ų151147.2 Ų147.281%0.80777%0.769SS**  79.1102.6118.9-139.347.8000123.8
317N34.4Very low32Very low121 Ų121143.7 Ų143.765%0.64777%0.766SS**  59.9127123.2-96.932.9000125.1
318D36.5Very low32.6Very low117 Ų117142 Ų14263%0.62676%0.763SS**  156.1113.885.1-104.7-34.5000117.3
319N36.5Very low33Very low98 Ų98143.5 Ų143.552%0.52476%0.762SS.*  75.3113127.9-93-65.1000127.6
320N34.3Very low33.9Very low90 Ų90140.9 Ų140.948%0.48176%0.755SS.*  68.4132.7119.3-107.7-65.5000126.4
321L32.1Very low34.8Very low173 Ų173139 Ų13991%0.90675%0.745SS**  180152.7116.8-165.460.2000113.4
322C31.2Very low35.7Very low107 Ų107139.2 Ų139.272%0.72374%0.744SS**  trans-117.4-176.9-157.6-158.10000117.7
323E31Very low36.7Very low161 Ų161136.1 Ų136.175%0.75274%0.738SS**  trans72.2116.3159.1-66-169.7139.400122.9
324N37.1Very low37.4Very low153 Ų153136.2 Ų136.282%0.81873%0.734SS**  -178.8137.199.3-100.5-78.9000113.8
325I32.5Very low37.8Very low167 Ų167135.7 Ų135.786%0.85672%0.723SS**  trans-123.2133.8173.1-67.3169.6000108.7
326S32.2Very low38.6Very low96 Ų96137.2 Ų137.267%0.67171%0.713SS**  trans-177.9154.7134.3-154.30000114.8
327N33.8Very low39.5Very low142 Ų142133 Ų13376%0.75970%0.695SS**  trans67.8103.2160.8-60.3-36.5000120.2
328N38.1Very low40.2Very low152 Ų152129.6 Ų129.681%0.81368%0.681SS**  -166.6146.896.1-127.6-26.7000114
329N35.7Very low40.5Very low150 Ų150126.8 Ų126.880%0.80267%0.673SS**  trans-104.4107.1-174.1-72.1-47.9000112.2
330N46.8Very low41.5Very low146 Ų146130.2 Ų130.278%0.78168%0.679SS**  trans-144.8-11173.9-89.3-32.3000117.8K332N330-K332 PolarHBondContact O-N 2.92Å
331N48.1Very low42.6Very low124 Ų124132.9 Ų132.966%0.66369%0.686SS**  trans-103.526.8-161.2-60.921000115.5
332K45.7Very low43.4Very low160 Ų160128 Ų12870%0.69666%0.66SS**Hα-helixtrans-79.3-36.6-170.9-165.8174.3177.9-177.40114.7N330N330-K332 PolarHBondContact O-N 2.92Å
333E49.4Very low44.5Very low170 Ų170130.8 Ų130.879%0.79466%0.66SS**Hα-helixtrans-77.4-26.9-175.4-67-173.313800113.7E336 S337E333-E336 PolarHBondContact O-N 2.97Å; E333-S337 PolarHBondContact O-N 2.96Å; E333-S337 PolarHBondContact O-OG 2.85Å
334E45.2Very low45.7Very low143 Ų143129.4 Ų129.467%0.66865%0.654SS**Hα-helixtrans-72.7-33.5180-153.9166.5-146.100111.6S337 S338E334-S337 WeakPolarHBondContact CA-OG 3.31Å; E334-S337 PolarHBondContact O-OG 2.83Å; E334-S337 VanDerWaalsContact O-OG 3.08Å; E334-S338 PolarHBondContact O-N 3.23Å; E334-S338 VanDerWaalsContact O-N 3.17Å
335F45.6Very low46.3Very low160 Ų160127.4 Ų127.470%0.70264%0.643SS**Hα-helixtrans-68.1-39.7173.8-119.6-90.4000112.6S337 A339F335-S337 VanDerWaalsContact C-N 3.32Å; F335-S337 PolarHBondContact O-N 3.16Å; F335-A339 VanDerWaalsContact O-CB 3.29Å; F335-A339 WeakPolarHBondContact O-CB 3.43Å; F335-A339 PolarHBondContact O-N 2.84Å
336E48.4Very low47.1Very low101 Ų101122.9 Ų122.947%0.47262%0.623SS.*Hα-helixtrans-71.6-24.4179.6-73.4-170.5-166.300113.8E333 R340E333-E336 PolarHBondContact O-N 2.97Å; E336-R340 PolarHBondContact O-N 2.95Å; E336-R340 PolarHBondContact O-NE 3.14Å; E336-R340 IonicContact OE2-NH2 2.78Å
337S54.6Low47.9Very low62 Ų62121 Ų12143%0.43461%0.614SS.*Hα-helixtrans-83.2-41.6176.840.90000111.7E333 E334 F335 R340 K341E333-S337 PolarHBondContact O-N 2.96Å; E333-S337 PolarHBondContact O-OG 2.85Å; E334-S337 WeakPolarHBondContact CA-OG 3.31Å; E334-S337 PolarHBondContact O-OG 2.83Å; E334-S337 VanDerWaalsContact O-OG 3.08Å; F335-S337 VanDerWaalsContact C-N 3.32Å; F335-S337 PolarHBondContact O-N 3.16Å; S337-R340 PolarHBondContact O-N 3.31Å; S337-K341 PolarHBondContact O-N 3.36Å; S337-K341 VanDerWaalsContact O-N 3.14Å
338S50Low48.8Very low50 Ų50119.1 Ų119.135%0.3560%0.604SS.*Hα-helixtrans-61-42.7169-76.60000112.6E334 R340 K341 I342E334-S338 PolarHBondContact O-N 3.23Å; E334-S338 VanDerWaalsContact O-N 3.17Å; S338-R340 VanDerWaalsContact C-N 3.32Å; S338-R340 PolarHBondContact O-N 3.41Å; S338-K341 PolarHBondContact O-N 3.29Å; S338-I342 WeakPolarHBondContact O-CG1 3.38Å; S338-I342 PolarHBondContact O-N 3.01Å
339A42.8Very low49.2Very low57 Ų57118.6 Ų118.647%0.47159%0.594SS.*Hα-helixtrans-61.1-36.8177.400000113.2F335 K343F335-A339 VanDerWaalsContact O-CB 3.29Å; F335-A339 WeakPolarHBondContact O-CB 3.43Å; F335-A339 PolarHBondContact O-N 2.84Å; A339-K343 PolarHBondContact O-N 3.2Å
340R56.2Low49.6Very low171 Ų171117 Ų11765%0.64558%0.582SS**Hα-helixtrans-66.8-45.5173.8-94.1178.9-91-175.9-11.5112.1E336 S337 S338 I342 K343 E344E336-R340 PolarHBondContact O-N 2.95Å; E336-R340 PolarHBondContact O-NE 3.14Å; E336-R340 IonicContact OE2-NH2 2.78Å; S337-R340 PolarHBondContact O-N 3.31Å; S338-R340 VanDerWaalsContact C-N 3.32Å; S338-R340 PolarHBondContact O-N 3.41Å; R340-I342 PolarHBondContact O-N 2.92Å; R340-K343 PolarHBondContact O-N 2.95Å; R340-K343 VanDerWaalsContact O-N 3.13Å; R340-E344 PolarHBondContact O-N 3.49Å; R340-E344 VanDerWaalsContact O-N 3.07Å
341K58.6Low50Low146 Ų146117.4 Ų117.464%0.63558%0.577SS**Hα-helixtrans-65.4-38.2-177-140.1175.6-167.4-178.70113S337 S338 K343 N345S337-K341 PolarHBondContact O-N 3.36Å; S337-K341 VanDerWaalsContact O-N 3.14Å; S338-K341 PolarHBondContact O-N 3.29Å; K341-K343 VanDerWaalsContact C-N 3.33Å; K341-N345 PolarHBondContact O-N 2.86Å; K341-N345 VanDerWaalsContact O-N 3.15Å
342I47.8Very low50Low69 Ų69114.7 Ų114.735%0.35457%0.567SS.*Hα-helixtrans-62.6-42.3172.8-66.5165.5000110.5S338 R340 E344 T346S338-I342 WeakPolarHBondContact O-CG1 3.38Å; S338-I342 PolarHBondContact O-N 3.01Å; R340-I342 PolarHBondContact O-N 2.92Å; I342-E344 PolarHBondContact O-N 3.12Å; I342-T346 WeakPolarHBondContact O-CB 3.26Å; I342-T346 PolarHBondContact O-N 3.32Å; I342-T346 PolarHBondContact O-OG1 2.85Å
343K55.5Low49.7Very low166 Ų166110.6 Ų110.672%0.72255%0.552SS**Hα-helixtrans-68.8-35.5-176.5-153.5171.8-171.1176.80112.9A339 R340 K341 A347A339-K343 PolarHBondContact O-N 3.2Å; R340-K343 PolarHBondContact O-N 2.95Å; R340-K343 VanDerWaalsContact O-N 3.13Å; K341-K343 VanDerWaalsContact C-N 3.33Å; K343-A347 PolarHBondContact O-N 3.49Å
344E55.1Low49.5Very low133 Ų133107 Ų10762%0.62154%0.535SS*.Hα-helixtrans-68.2-51.2174.7-165.6164.1-146.900111.3R340 I342 T346 A347 D348R340-E344 PolarHBondContact O-N 3.49Å; R340-E344 VanDerWaalsContact O-N 3.07Å; I342-E344 PolarHBondContact O-N 3.12Å; E344-T346 VanDerWaalsContact C-N 3.28Å; E344-T346 PolarHBondContact O-N 3.39Å; E344-A347 PolarHBondContact O-N 3.33Å; E344-A347 VanDerWaalsContact O-N 3.08Å; E344-D348 PolarHBondContact O-N 3.23Å; E344-D348 VanDerWaalsContact O-N 3.13Å
345N49.8Very low49.5Very low110 Ų110108.4 Ų108.459%0.58854%0.539SS*.Hα-helixtrans-57.1-38.9175.4-74.9-1.7000112.8K341 A347 F349K341-N345 PolarHBondContact O-N 2.86Å; K341-N345 VanDerWaalsContact O-N 3.15Å; N345-A347 VanDerWaalsContact C-N 3.33Å; N345-A347 PolarHBondContact O-N 3.11Å; N345-F349 WeakPolarHBondContact O-CB 3.39Å; N345-F349 PolarHBondContact O-N 2.85Å
346T50.1Low49.1Very low72 Ų72107.2 Ų107.244%0.44254%0.537SS..Hα-helixtrans-66.7-35.9179-46.40000111.8I342 E344 H350I342-T346 WeakPolarHBondContact O-CB 3.26Å; I342-T346 PolarHBondContact O-N 3.32Å; I342-T346 PolarHBondContact O-OG1 2.85Å; E344-T346 VanDerWaalsContact C-N 3.28Å; E344-T346 PolarHBondContact O-N 3.39Å; T346-H350 PolarHBondContact O-N 3.27Å
347A48.3Very low49Very low58 Ų58105.9 Ų105.948%0.47954%0.536SS..Hα-helixtrans-70.2-43.717900000112K343 E344 N345 H350 K351K343-A347 PolarHBondContact O-N 3.49Å; E344-A347 PolarHBondContact O-N 3.33Å; E344-A347 VanDerWaalsContact O-N 3.08Å; N345-A347 VanDerWaalsContact C-N 3.33Å; N345-A347 PolarHBondContact O-N 3.11Å; A347-H350 PolarHBondContact O-N 3.1Å; A347-K351 WeakPolarHBondContact O-CB 3.32Å; A347-K351 PolarHBondContact O-N 3.15Å
348D52.3Low48.6Very low102 Ų102108.7 Ų108.755%0.54554%0.543SS..Hα-helixtrans-67.5-36176-80.2-22.8000112.1E344 K351 S352E344-D348 PolarHBondContact O-N 3.23Å; E344-D348 VanDerWaalsContact O-N 3.13Å; D348-K351 PolarHBondContact O-N 2.88Å; D348-S352 WeakPolarHBondContact O-CB 3.46Å; D348-S352 PolarHBondContact O-N 3.43Å
349F46.5Very low48.5Very low141 Ų141109.5 Ų109.562%0.61855%0.548SS*.Hα-helixtrans-62.8-47.3173.7-166.3-109.8000111.9N345 K351 S352 I353N345-F349 WeakPolarHBondContact O-CB 3.39Å; N345-F349 PolarHBondContact O-N 2.85Å; F349-K351 VanDerWaalsContact C-N 3.31Å; F349-K351 PolarHBondContact O-N 3.08Å; F349-S352 PolarHBondContact O-N 3.49Å; F349-I353 HydrophobicContact CD1-CD1 3.7Å; F349-I353 HydrophobicContact CE1-CD1 3.35Å; F349-I353 HydrophobicContact CE1-CG1 4.44Å; F349-I353 HydrophobicContact CG-CD1 4.42Å; F349-I353 HydrophobicContact CZ-CD1 3.81Å; F349-I353 WeakPolarHBondContact O-CG1 3.32Å; F349-I353 PolarHBondContact O-N 3.49Å
350H44.4Very low48.9Very low116 Ų116109.8 Ų109.854%0.53755%0.547SS..Hα-helixtrans-60.4-39.5174.5-112.8-80.8000112.6T346 A347 H354T346-H350 PolarHBondContact O-N 3.27Å; A347-H350 PolarHBondContact O-N 3.1Å; H350-H354 PolarHBondContact O-CD2 2.83Å; H350-H354 PolarHBondContact O-N 3.1Å
351K55.5Low48.6Very low155 Ų155105.8 Ų105.867%0.67454%0.538SS*.Hα-helixtrans-71.1-32.5179.5-163.2175.3-174.9-179.50112.4A347 D348 F349 K355A347-K351 WeakPolarHBondContact O-CB 3.32Å; A347-K351 PolarHBondContact O-N 3.15Å; D348-K351 PolarHBondContact O-N 2.88Å; F349-K351 VanDerWaalsContact C-N 3.31Å; F349-K351 PolarHBondContact O-N 3.08Å; K351-K355 WeakPolarHBondContact O-CB 3.35Å; K351-K355 PolarHBondContact O-N 3.07Å
352S49.1Very low48.4Very low66 Ų66104.2 Ų104.246%0.46254%0.536SS..Hα-helixtrans-71.2-44.9173.4-161.30000111.5D348 F349 K355 M356D348-S352 WeakPolarHBondContact O-CB 3.46Å; D348-S352 PolarHBondContact O-N 3.43Å; F349-S352 PolarHBondContact O-N 3.49Å; S352-K355 PolarHBondContact O-N 3.04Å; S352-M356 PolarHBondContact O-N 2.63Å
353I39Very low48.9Very low75 Ų75105.8 Ų105.839%0.38555%0.545SS..Hα-helixtrans-59.9-51.7176.4-72.8175.1000111.1F349 K355 M356 T357F349-I353 HydrophobicContact CD1-CD1 3.7Å; F349-I353 HydrophobicContact CE1-CD1 3.35Å; F349-I353 HydrophobicContact CE1-CG1 4.44Å; F349-I353 HydrophobicContact CG-CD1 4.42Å; F349-I353 HydrophobicContact CZ-CD1 3.81Å; F349-I353 WeakPolarHBondContact O-CG1 3.32Å; F349-I353 PolarHBondContact O-N 3.49Å; I353-K355 PolarHBondContact O-N 2.97Å; I353-M356 PolarHBondContact O-N 3.31Å; I353-T357 PolarHBondContact O-N 3.43Å; I353-T357 PolarHBondContact O-OG1 3.26Å; I353-T357 VanDerWaalsContact O-OG1 3.09Å
354H44.2Very low49.2Very low94 Ų94103.1 Ų103.144%0.43554%0.538SS..Hα-helixtrans-56.7-35.6177.2-92.9-83.6000112.7H350 E358H350-H354 PolarHBondContact O-CD2 2.83Å; H350-H354 PolarHBondContact O-N 3.1Å; H354-E358 IonicContact CE1-OE1 2.68Å; H354-E358 IonicContact CG-OE1 3.44Å; H354-E358 IonicContact ND1-OE1 3.27Å; H354-E358 PolarHBondContact ND1-OE1 3.39Å; H354-E358 WeakPolarHBondContact O-CB 3.35Å; H354-E358 WeakPolarHBondContact O-CG 3.3Å; H354-E358 PolarHBondContact O-N 2.87Å
355K45Very low49Very low172 Ų172101.2 Ų101.275%0.74853%0.532SS*.Hα-helixtrans-74.8-28.3179.2-157.2176-174.5-1740113.5K351 S352 I353 S359K351-K355 WeakPolarHBondContact O-CB 3.35Å; K351-K355 PolarHBondContact O-N 3.07Å; S352-K355 PolarHBondContact O-N 3.04Å; I353-K355 PolarHBondContact O-N 2.97Å; K355-S359 PolarHBondContact O-OG 2.87Å
356M38.9Very low49.7Very low135 Ų13599.5 Ų99.567%0.66553%0.525SS*.Hα-helixtrans-78.2-46.7173.2-85.4-177.4157.900112.3S352 I353 S360S352-M356 PolarHBondContact O-N 2.63Å; I353-M356 PolarHBondContact O-N 3.31Å; M356-S360 PolarHBondContact O-OG 2.95Å
357T44.5Very low49.9Very low74 Ų74100.4 Ų100.445%0.45453%0.527SS..Hα-helixtrans-76.2-29.2-171.5-45.70000114.1I353I353-T357 PolarHBondContact O-N 3.43Å; I353-T357 PolarHBondContact O-OG1 3.26Å; I353-T357 VanDerWaalsContact O-OG1 3.09Å
358E46.6Very low50Low121 Ų121102.7 Ų102.757%0.56553%0.529SS*.Hα-helixtrans-83-11.7-174.5-70.6177.1-169.400114.7H354H354-E358 IonicContact CE1-OE1 2.68Å; H354-E358 IonicContact CG-OE1 3.44Å; H354-E358 IonicContact ND1-OE1 3.27Å; H354-E358 PolarHBondContact ND1-OE1 3.39Å; H354-E358 WeakPolarHBondContact O-CB 3.35Å; H354-E358 WeakPolarHBondContact O-CG 3.3Å; H354-E358 PolarHBondContact O-N 2.87Å
359S47.7Very low50.2Low66 Ų66103.7 Ų103.746%0.46253%0.534SS..Hα-helixtrans-107.1-46.1-179.555.70000113.8K355 D363K355-S359 PolarHBondContact O-OG 2.87Å; S359-D363 WeakPolarHBondContact O-CB 3.49Å; S359-D363 PolarHBondContact O-N 3.25Å
360S52.8Low50.5Low64 Ų64103.7 Ų103.745%0.44854%0.541SS..Hα-helixtrans-70.1-42.1-171.859.60000114.1M356 L364M356-S360 PolarHBondContact O-OG 2.95Å; S360-L364 VanDerWaalsContact O-CB 3.3Å; S360-L364 WeakPolarHBondContact O-CB 3.36Å; S360-L364 PolarHBondContact O-N 3.43Å
361D48.2Very low50.8Low87 Ų87108.3 Ų108.347%0.46555%0.553SS.*Hα-helixtrans-79.6-30.8-170.5-65.1-10.3000112L365D361-L365 WeakPolarHBondContact O-CB 3.47Å; D361-L365 PolarHBondContact O-N 2.78Å
362L56.1Low50.1Low113 Ų113105.5 Ų105.559%0.59255%0.549SS*.Hα-helixtrans-70.9-45.6172.7-102.9150.8000111.3L364 L365 V366L362-L364 VanDerWaalsContact C-N 3.29Å; L362-L364 PolarHBondContact O-N 3.05Å; L362-L365 PolarHBondContact O-N 3.42Å; L362-V366 WeakPolarHBondContact O-CG2 3.48Å; L362-V366 PolarHBondContact O-N 3.08Å
363D57.8Low49.5Very low102 Ų102109.7 Ų109.755%0.54556%0.561SS.*Hα-helixtrans-63.7-35173.8-80.2-13.4000111.7S359 N367S359-D363 WeakPolarHBondContact O-CB 3.49Å; S359-D363 PolarHBondContact O-N 3.25Å; D363-N367 VanDerWaalsContact O-CB 3.28Å; D363-N367 WeakPolarHBondContact O-CB 3.33Å; D363-N367 PolarHBondContact O-N 3.31Å; D363-N367 PolarHBondContact O-ND2 3.27Å
364L60.5Low49.5Very low109 Ų109113.9 Ų113.957%0.57158%0.581SS**Hα-helixtrans-66.5-42.5174.6-169.269.4000111.6S360 L362 N367 M368S360-L364 VanDerWaalsContact O-CB 3.3Å; S360-L364 WeakPolarHBondContact O-CB 3.36Å; S360-L364 PolarHBondContact O-N 3.43Å; L362-L364 VanDerWaalsContact C-N 3.29Å; L362-L364 PolarHBondContact O-N 3.05Å; L364-N367 PolarHBondContact O-N 2.93Å; L364-M368 WeakPolarHBondContact O-CB 3.34Å; L364-M368 WeakPolarHBondContact O-CG 3.47Å; L364-M368 PolarHBondContact O-N 3.3Å
365L51.8Low49.3Very low94 Ų94116.4 Ų116.449%0.49259%0.591SS.*Hα-helixtrans-64.4-43.1175.1-89.5161.4000112.6D361 L362 M368 L369D361-L365 WeakPolarHBondContact O-CB 3.47Å; D361-L365 PolarHBondContact O-N 2.78Å; L362-L365 PolarHBondContact O-N 3.42Å; L365-M368 HydrophobicContact CD2-CE 3.92Å; L365-M368 HydrophobicContact CG-CE 4.35Å; L365-M368 PolarHBondContact O-N 2.86Å; L365-L369 WeakPolarHBondContact O-CG 3.33Å; L365-L369 PolarHBondContact O-N 2.95Å
366V64.1Low48.8Very low73 Ų73114.7 Ų114.744%0.44259%0.59SS.*Hα-helixtrans-63.2-46.1175.1172.50000110.6L362 M368 L369 D370L362-V366 WeakPolarHBondContact O-CG2 3.48Å; L362-V366 PolarHBondContact O-N 3.08Å; V366-M368 VanDerWaalsContact C-N 3.28Å; V366-M368 PolarHBondContact O-N 3.25Å; V366-L369 PolarHBondContact O-N 2.92Å; V366-L369 VanDerWaalsContact O-N 3.15Å; V366-D370 PolarHBondContact O-N 2.92Å
367N55.2Low48.8Very low92 Ų92115.3 Ų115.349%0.49260%0.596SS.*Hα-helixtrans-65.9-25.5176.1-82.6-76.1000113.9D363 L364 R371D363-N367 VanDerWaalsContact O-CB 3.28Å; D363-N367 WeakPolarHBondContact O-CB 3.33Å; D363-N367 PolarHBondContact O-N 3.31Å; D363-N367 PolarHBondContact O-ND2 3.27Å; L364-N367 PolarHBondContact O-N 2.93Å; N367-R371 VanDerWaalsContact O-CD 3.3Å; N367-R371 WeakPolarHBondContact O-CD 3.31Å; N367-R371 VanDerWaalsContact O-CG 3.26Å; N367-R371 WeakPolarHBondContact O-CG 3.43Å
368M50.1Low48.6Very low106 Ų106116 Ų11652%0.52260%0.604SS.*Hα-helixtrans-76-37.7171-76-165.2-53.300111.9L364 L365 V366 R371L364-M368 WeakPolarHBondContact O-CB 3.34Å; L364-M368 WeakPolarHBondContact O-CG 3.47Å; L364-M368 PolarHBondContact O-N 3.3Å; L365-M368 HydrophobicContact CD2-CE 3.92Å; L365-M368 HydrophobicContact CG-CE 4.35Å; L365-M368 PolarHBondContact O-N 2.86Å; V366-M368 VanDerWaalsContact C-N 3.28Å; V366-M368 PolarHBondContact O-N 3.25Å; M368-R371 PolarHBondContact O-N 3.29Å
369L55.5Low48.1Very low123 Ų123118.8 Ų118.864%0.64462%0.619SS**Hα-helixtrans-70.8-43178.7-73165.6000112.2L365 V366 R371 V372L365-L369 WeakPolarHBondContact O-CG 3.33Å; L365-L369 PolarHBondContact O-N 2.95Å; V366-L369 PolarHBondContact O-N 2.92Å; V366-L369 VanDerWaalsContact O-N 3.15Å; L369-R371 PolarHBondContact O-N 3.07Å; L369-R371 VanDerWaalsContact O-N 3.1Å; L369-V372 PolarHBondContact O-N 3.1Å
370D52.9Low47.7Very low141 Ų141123 Ų12375%0.75463%0.631SS**THydrogen-bonded Turntrans-63.2-15.1175.4-102.512.1000113.6V366V366-D370 PolarHBondContact O-N 2.92Å
371R52.2Low46.8Very low212 Ų212127.7 Ų127.780%0.865%0.646SS**THydrogen-bonded Turntrans-92.4-5.7176.7-75.3177174.6-124.8-2.6114.1N367 M368 L369 E373N367-R371 VanDerWaalsContact O-CD 3.3Å; N367-R371 WeakPolarHBondContact O-CD 3.31Å; N367-R371 VanDerWaalsContact O-CG 3.26Å; N367-R371 WeakPolarHBondContact O-CG 3.43Å; M368-R371 PolarHBondContact O-N 3.29Å; L369-R371 PolarHBondContact O-N 3.07Å; L369-R371 VanDerWaalsContact O-N 3.1Å; R371-E373 PolarHBondContact O-N 3.43Å
372V40.3Very low46.1Very low97 Ų97129.7 Ų129.759%0.58866%0.657SS**  trans-92.874.5174.2-173.70000108.9L369 M374L369-V372 PolarHBondContact O-N 3.1Å; V372-M374 VanDerWaalsContact C-N 3.35Å; V372-M374 HydrophobicContact CG1-CG 4.23Å; V372-M374 HydrophobicContact CG1-SD 4.31Å; V372-M374 PolarHBondContact O-N 2.92Å
373E37Very low45.2Very low154 Ų154129.7 Ų129.772%0.7266%0.657SS**  trans-6893.8169.8-170.4-177.6-141.200109.1R371 K375R371-E373 PolarHBondContact O-N 3.43Å; E373-K375 VanDerWaalsContact C-N 3.33Å; E373-K375 HydrophobicContact CG-CG 4.46Å; E373-K375 PolarHBondContact O-N 2.91Å
374M37.9Very low43.9Very low162 Ų162133.3 Ų133.380%0.79867%0.668SS**  trans-67.689.8172-71.2-74.6-76.800109.4V372 D376V372-M374 VanDerWaalsContact C-N 3.35Å; V372-M374 HydrophobicContact CG1-CG 4.23Å; V372-M374 HydrophobicContact CG1-SD 4.31Å; V372-M374 PolarHBondContact O-N 2.92Å; M374-D376 VanDerWaalsContact C-N 3.3Å; M374-D376 PolarHBondContact O-N 3.33Å
375K39.7Very low42.6Very low148 Ų148133 Ų13364%0.64368%0.675SS**  trans-7187.6167.5-76.9-164.8173.6-170.50110.6E373 D377E373-K375 VanDerWaalsContact C-N 3.33Å; E373-K375 HydrophobicContact CG-CG 4.46Å; E373-K375 PolarHBondContact O-N 2.91Å; K375-D377 PolarHBondContact O-N 3.28Å
376D35.7Very low41.7Very low135 Ų135136 Ų13672%0.72269%0.69SS**  trans-85.382.5169.1-156.2-3.7000109.4M374 S378M374-D376 VanDerWaalsContact C-N 3.3Å; M374-D376 PolarHBondContact O-N 3.33Å; D376-S378 PolarHBondContact O-N 3.15Å
377D39.1Very low40.1Very low149 Ų149139.4 Ų139.480%0.79770%0.704SS**  trans-7340.2-177.1-83.4-34.5000113.2K375K375-D377 PolarHBondContact O-N 3.28Å
378S38.4Very low38.7Very low88 Ų88141.9 Ų141.962%0.61572%0.723SS**  trans-160.792.7163.460.70000115.5D376D376-S378 PolarHBondContact O-N 3.15Å
379M37.1Very low37.8Very low179 Ų179142.7 Ų142.788%0.88273%0.733SS**  -168.3132.7129.6-102.8-77.290.100111.5
380Q38.4Very low36.6Very low156 Ų156145 Ų14573%0.72974%0.741SS**  trans-89.5160.4172.4-60.7177.50.100110
381Q33.9Very low35.5Very low161 Ų161145.8 Ų145.875%0.75274%0.744SS**  trans66.8117.2160-70.5175.83.800115.6
382N34.8Very low34.4Very low130 Ų130142.3 Ų142.370%0.69575%0.746SS**  cis-166.8164.843-87.2-38.3000113
383D36.2Very low34Very low112 Ų112145.2 Ų145.260%0.59975%0.753SS**  trans21.2112.6149.2-67.1-52.5000119.9
384K31.6Very low33.7Very low179 Ų179147.1 Ų147.178%0.77876%0.758SS**  78.6147.285.2-77.1-176.7-163.11210116.1
385S31.9Very low33.3Very low101 Ų101144.3 Ų144.371%0.70675%0.754SS**  trans71124.6176.4680000114.4
386I34.1Very low33Very low159 Ų159144.5 Ų144.582%0.81576%0.762SS**  cis67.2138.746.4-51.4169.8000110.8
387I29.8Very low32.4Very low143 Ų143145.5 Ų145.573%0.73377%0.766SS**  trans93.782.2-178.2-47.7158.7000114.6
388V26.6Very low32.2Very low145 Ų145144.6 Ų144.688%0.87977%0.768SS**  trans-141.760.6138.6-1680000109.5
389T30.1Very low31.6Very low122 Ų122147.1 Ų147.175%0.74877%0.773SS**SBendtrans-156.5139.2161.3-29.60000108.9
390Q30.2Very low31.4Very low173 Ų173146.2 Ų146.281%0.80877%0.767SS**  trans63109.6177-55.3176.74.500116
391I30Very low30.9Very low157 Ų157145.7 Ų145.781%0.80577%0.765SS**  -168.9101108.4-85.4148.3000107.6
392V28.8Very low30.8Very low139 Ų139146.6 Ų146.684%0.84277%0.768SS**  trans-128135.1152.1175.60000104
393Q31.9Very low30.7Very low158 Ų158149.7 Ų149.774%0.73878%0.775SS**  trans70.6124.1-163.8-46-178.8-4.900112.3
394K31.5Very low30.2Very low193 Ų193150.6 Ų150.684%0.83979%0.785SS**  cis-160161.748.5-116.5154.3-172.5175.50111.8
395C29.4Very low30.3Very low103 Ų103147.6 Ų147.670%0.69678%0.784SS**  trans-74.6167.6168.4-55.50000112.4
396D32.5Very low30.1Very low153 Ų153151.3 Ų151.382%0.81879%0.79SS**  trans79.1125.7155.2-50.1-38.7000119.4
397L25Very low30Very low156 Ų156151.7 Ų151.782%0.81779%0.792SS**  trans-66.9153.8174.1-66.678.5000110.7
398P33.1Very low30.2Very low129 Ų129152.8 Ų152.884%0.83879%0.794SS**  -145166.3102.734.6-18.2000115.9
399I27.4Very low30.2Very low141 Ų141150.7 Ų150.772%0.72379%0.786SS**  trans-92.3126.6-178.5-58.3158.2000110.2
400H32.4Very low30.3Very low161 Ų161150.4 Ų150.475%0.74579%0.789SS**  -178.5160120.2-121.5-77.6000114.6
401E26.9Very low30.5Very low145 Ų145152 Ų15268%0.67879%0.794SS**  trans-74.6155.9-177-52.7154.1110.100115.1
402H32.4Very low30.4Very low179 Ų179149.7 Ų149.783%0.82979%0.791SS**  trans172.2103.6131.1-86-50.2000108.9
403K32.3Very low30.5Very low195 Ų195149.8 Ų149.885%0.84879%0.792SS**  75.1107.788.3-159.5175.7-171.9179.10115.3
404T27.2Very low30.3Very low132 Ų132148.7 Ų148.781%0.8180%0.796SS**  trans-71.8158.5-179.4-21.90000114.6
405P32.8Very low30.5Very low116 Ų116145.7 Ų145.775%0.75380%0.796SS**  trans-121.1140.2146.935.2-24.1000113.2
406E27Very low30.4Very low178 Ų178145.8 Ų145.883%0.83280%0.798SS**  trans-102.5141.2176.6179.7-177.6-144.300109.4
407I32.5Very low30.1Very low167 Ų167146.1 Ų146.186%0.85680%0.799SS**  trans-132.8140.7174.8-63.2-177000110.2
408Q34Very low30.2Very low166 Ų166144 Ų14478%0.77679%0.792SS**  trans-103.7150-159.9-57.6172.4-14.900114.8
409S25.8Very low30Very low101 Ų101147 Ų14771%0.70679%0.793SS**  trans52.9121.9135166.90000121.9
410S34.2Very low30.1Very low117 Ų117146.8 Ų146.882%0.81879%0.793SS**  trans-156.6102.3132.1-78.10000109.6
411K33.6Very low30Very low207 Ų207147.1 Ų147.190%0.980%0.799SS**  84.7132.197.5-95.2-177.4176.9176.70116.1
412S27.4Very low30.3Very low107 Ų107145.4 Ų145.475%0.74880%0.798SS**  trans-99.3158.1-166.253.60000115
413V31.2Very low30.3Very low142 Ų142146.6 Ų146.686%0.86180%0.801SS**  trans-143126.2148.8-177.30000110.5
414T28.6Very low30.3Very low135 Ų135143.3 Ų143.383%0.82880%0.803SS**  trans-139.2145161.643.80000109.1
415P35.3Very low30.5Very low129 Ų129146 Ų14684%0.83881%0.806SS**  trans-110.2140.1160.434.1-25.1000111.6
416S27.3Very low30.6Very low106 Ų106149.5 Ų149.574%0.74181%0.809SS**  trans-85.3154.2-175.250.20000114.3
417L26.6Very low30.8Very low159 Ų159148.8 Ų148.883%0.83281%0.808SS**  trans-137.4125.9147.8-162.175000109.3F419L417-F419 HydrophobicContact CD2-CE2 4.46Å
418T25.4Very low30.8Very low111 Ų111148.5 Ų148.568%0.68181%0.807SS**  trans-132.7138.7-177-43.70000108.6
419F28.8Very low30.7Very low194 Ų194147.5 Ų147.585%0.85181%0.807SS**  trans-121130.5164.3-83.2-83000108.4L417L417-F419 HydrophobicContact CD2-CE2 4.46Å
420D29.6Very low31.2Very low136 Ų136150 Ų15073%0.72781%0.813SS**  trans-135.2128-174.2-162.53.7000107.8
421I31.9Very low31.2Very low168 Ų168151.7 Ų151.786%0.86281%0.808SS**  trans-129.7123.6176.5-62.1-177.4000108.1
422T32.3Very low31.2Very low109 Ų109149 Ų14967%0.66980%0.796SS**  trans-99.3149.1-157.948.30000114.8
423K31.7Very low31.5Very low203 Ų203151.7 Ų151.788%0.88380%0.801SS**  trans55118145.7-75.2178.1171.2175.20120.1
424S33.7Very low31.5Very low126 Ų126151.3 Ų151.388%0.88180%0.799SS**  -150.6114.8120.156.60000111.8
425E30.3Very low31.6Very low188 Ų188150.7 Ų150.788%0.87980%0.8SS**  trans-120.7124.7175178-174.3-153.200107.8
426K35.9Very low31.4Very low191 Ų191154.4 Ų154.483%0.8380%0.803SS**  trans-166.7110.5163.6-115.5171-173.2-178.10113.6
427M30.4Very low31.7Very low162 Ų162154.2 Ų154.280%0.79880%0.799SS**  trans43.1115136.9-56.7176.670.200119.7
428L33.8Very low31.8Very low162 Ų162156 Ų15685%0.84880%0.803SS**  -159.3136.7103.8-130.679.7000111.8
429N31.8Very low31.8Very low145 Ų145157.5 Ų157.578%0.77581%0.806SS**  trans-88.4157.9171.7-72.2-25.2000111.2
430N34.4Very low32Very low153 Ų153153.5 Ų153.582%0.81880%0.802SS**  trans155.290.9142.9-77.9-13.2000108.2
431E35.8Very low32.1Very low152 Ų152153.2 Ų153.271%0.7180%0.8SS**  72129.378.1-139.8-146.5173.600115.8
432K33.3Very low31.9Very low152 Ų152152.6 Ų152.666%0.66180%0.798SS**  trans72.2108.2161.6-74.4174.1179.3111.50121.5
433L33Very low31.7Very low163 Ų163153.4 Ų153.485%0.85380%0.803SS**  157.688.8118.7-85.4156.4000109
434V31.5Very low31.4Very low134 Ų134148.6 Ų148.681%0.81280%0.795SS**  6593.583.5-176.70000114.4
435S30.4Very low31.2Very low122 Ų122148.7 Ų148.785%0.85379%0.79SS**  trans-152.6136.2131.550.10000108.9
436K31.2Very low31.1Very low206 Ų206144.8 Ų144.890%0.89678%0.781SS**  trans-114.7178.9-169.8-120.1-156.4167.2177.60110
437P34.2Very low30.8Very low102 Ų102145.7 Ų145.766%0.66279%0.785SS**  trans-107.2-177.6-14141.8-30.1000113.4
438Q28.1Very low30.9Very low196 Ų196146 Ų14692%0.91679%0.785SS**  trans-130.3149.8165.2-153.2165.5-0.700111.1
439I26Very low30.6Very low144 Ų144146.5 Ų146.574%0.73879%0.787SS**  trans-128.6131.3-165.7-53.8161.4000108.6
440S33Very low30.5Very low109 Ų109147 Ų14776%0.76279%0.79SS**  trans-160.8101.6163.947.70000107.9
441N32.2Very low30.2Very low131 Ų131148.7 Ų148.770%0.70179%0.79SS**  79.6112.380.5-78-9.9000113.8
442L27.4Very low29.9Very low154 Ų154146.9 Ų146.981%0.80679%0.794SS**  trans51.2126.4136.2-52.4164.1000116.9
443T28.1Very low29.6Very low127 Ų127147.1 Ų147.178%0.77980%0.799SS**  -171.8157.259.2-50.90000110.7
444S25.9Very low29.4Very low101 Ų101145.2 Ų145.271%0.70680%0.798SS**  trans-66140.1177.251.40000116.7
445T27.9Very low29.1Very low128 Ų128145 Ų14579%0.78579%0.791SS**  trans-165.6154.5133.319.60000111.1
446P28.1Very low29.2Very low106 Ų106145.1 Ų145.169%0.68879%0.789SS**PPolyproline II helixtrans-88.8140.6-171.534.7-33.7000112.9
447F30.2Very low29.3Very low211 Ų211144.1 Ų144.193%0.92579%0.787SS**PPolyproline II helixtrans-82.6123.3172.8-82.1-79.1000112
448H31.6Very low28.9Very low169 Ų169142.4 Ų142.478%0.78279%0.788SS**PPolyproline II helixtrans-66.9138.7-175.9-83.9-121.4000113.2N450H448-N450 PolarHBondContact O-N 2.97Å; H448-N450 VanDerWaalsContact O-N 3.15Å
449L28.9Very low29Very low172 Ų172141.3 Ų141.390%0.90179%0.787SS**  trans-59.1110.9154.6-95.9151000109.2K451L449-K451 PolarHBondContact O-N 2.9Å; L449-K451 VanDerWaalsContact O-N 3.14Å
450N30.4Very low29Very low154 Ų154143 Ų14382%0.82479%0.792SS**  trans-76.7101.4-179.8-146.11.8000109.4H448 S452H448-N450 PolarHBondContact O-N 2.97Å; H448-N450 VanDerWaalsContact O-N 3.15Å; N450-S452 PolarHBondContact O-N 3.46Å
451K28.2Very low28.9Very low190 Ų190146.5 Ų146.583%0.82680%0.796SS**  trans-7290.8176-83.9-176.9171.5179.30110.7L449 M453L449-K451 PolarHBondContact O-N 2.9Å; L449-K451 VanDerWaalsContact O-N 3.14Å; K451-M453 VanDerWaalsContact C-N 3.31Å; K451-M453 PolarHBondContact O-N 2.84Å
452S29.2Very low28.6Very low114 Ų114146.4 Ų146.480%0.79780%0.8SS**  trans-89.767.3159.462.90000110.3N450 C454N450-S452 PolarHBondContact O-N 3.46Å; S452-C454 VanDerWaalsContact C-N 3.32Å; S452-C454 PolarHBondContact O-N 2.9Å; S452-C454 VanDerWaalsContact O-N 3.1Å
453M25.8Very low28.6Very low157 Ų157147.1 Ų147.177%0.77381%0.805SS**  trans-80.985.1169.5-171.9157.469.100108.5K451 I455K451-M453 VanDerWaalsContact C-N 3.31Å; K451-M453 PolarHBondContact O-N 2.84Å; M453-I455 PolarHBondContact O-N 3.26Å
454C28.7Very low28.8Very low123 Ų123146.3 Ų146.383%0.83181%0.811SS**  trans-78.1114176.2-146.40000108.9S452 P456S452-C454 VanDerWaalsContact C-N 3.32Å; S452-C454 PolarHBondContact O-N 2.9Å; S452-C454 VanDerWaalsContact O-N 3.1Å; C454-P456 WeakPolarHBondContact O-CD 3.34Å
455I25.5Very low29.1Very low130 Ų130149.7 Ų149.767%0.66782%0.82SS**  trans-85.4129.8174.8-61.7164.9000108.2M453 E457M453-I455 PolarHBondContact O-N 3.26Å; I455-E457 HydrophobicContact CG2-CG 4.09Å
456P32.6Very low29.1Very low123 Ų123150.6 Ų150.680%0.79982%0.82SS**  trans-102.1113153.6516000108.7C454C454-P456 WeakPolarHBondContact O-CD 3.34Å
457E32.5Very low29.4Very low185 Ų185151.4 Ų151.486%0.86482%0.823SS**  trans-73.2130.6169-72.7-176.4123.600110.3I455I455-E457 HydrophobicContact CG2-CG 4.09Å
458G26.5Very low29.3Very low66 Ų66146.7 Ų146.768%0.6881%0.814SS**  trans69.8117.6150.700000118.6
459I29.8Very low29.4Very low173 Ų173148.8 Ų148.889%0.88782%0.816SS**  -161136.9109.5-94.9149000108.6
460Q27Very low29.4Very low180 Ų180148.3 Ų148.384%0.84181%0.814SS**  trans-78.4131.7173.5-61.9165.1-10.600109.7
461Q31.1Very low29.4Very low183 Ų183147.3 Ų147.386%0.85581%0.814SS**  trans-169.4116.6133.7-108161.931.900111.7
462T25Very low29.6Very low129 Ų129143.1 Ų143.179%0.79181%0.807SS**  trans-78.8135.5166.746.70000110.1
463N28.3Very low29.6Very low169 Ų169146.5 Ų146.590%0.90481%0.81SS**  trans-179.2107.1141.9-91.3-14.6000109.2
464A32.4Very low29.7Very low109 Ų109149.2 Ų149.290%0.90181%0.813SS**  trans-133.9138165.900000107.4
465L31.8Very low29.8Very low172 Ų172148.9 Ų148.990%0.90181%0.807SS**  trans-123141.3-167.2-147.2150.5000109.6
466D28.3Very low29.9Very low147 Ų147149.2 Ų149.279%0.78682%0.815SS**  trans-55.7143.7-167.8-78-58.7000116.6
467V33.2Very low29.8Very low124 Ų124150.8 Ų150.875%0.75282%0.817SS**  trans-139.9112.5146.1-176.50000109.1Y469V467-Y469 HydrophobicContact CG1-CD2 4.37Å; V467-Y469 HydrophobicContact CG1-CE2 4.47Å
468P28.9Very low29.6Very low112 Ų112152.1 Ų152.173%0.72781%0.814SS**  trans-89.3139.8178.233.6-32.4000111.9
469Y32.9Very low29.7Very low212 Ų212155.9 Ų155.983%0.83182%0.818SS**  trans-126.5124.2167.8-104.9-86.7000112.1V467V467-Y469 HydrophobicContact CG1-CD2 4.37Å; V467-Y469 HydrophobicContact CG1-CE2 4.47Å
470N29.5Very low29.8Very low162 Ų162155.1 Ų155.187%0.86682%0.822SS**  trans-67.8139.5178.4-64.7-60.5000111.6
471T30.7Very low30Very low134 Ų134153.2 Ų153.282%0.82282%0.818SS**  trans-124.6125.9161.6-48.70000108.1
472P32Very low30Very low102 Ų102150.8 Ų150.866%0.66281%0.809SS**  trans-79.5134.8-172.530.3-34.4000112.6Y474P472-Y474 PolarHBondContact O-N 3.22Å
473E28.2Very low30.4Very low185 Ų185151.8 Ų151.886%0.86481%0.809SS**  trans-66.4127.5166.2-68.6-175.9129.100110.6
474Y29Very low30.5Very low213 Ų213149.4 Ų149.484%0.83580%0.801SS**  trans-10098.6166.6-103.7-87.9000110.2P472 V476P472-Y474 PolarHBondContact O-N 3.22Å; Y474-V476 PolarHBondContact O-N 2.87Å; Y474-V476 VanDerWaalsContact O-N 3.09Å
475T30.7Very low30.3Very low117 Ų117150.6 Ų150.672%0.71880%0.797SS**  trans-66.1104.4171.6-500000110N477T475-N477 PolarHBondContact O-N 3.47Å
476V27.1Very low30.1Very low137 Ų137148.2 Ų148.283%0.8379%0.792SS**  trans-71.594.9174.61790000109.2Y474Y474-V476 PolarHBondContact O-N 2.87Å; Y474-V476 VanDerWaalsContact O-N 3.09Å
477N30.6Very low30.1Very low155 Ų155151.9 Ų151.983%0.82980%0.797SS**  trans-91.3132.6173.1-141.7-6.7000110.6T475T475-N477 PolarHBondContact O-N 3.47Å
478R27.7Very low30Very low214 Ų214152.3 Ų152.381%0.80880%0.8SS**  trans-88.6159.6-171.7-109.1179.3178.5161.6-1.8111.6
479N29.5Very low30.1Very low145 Ų145155.9 Ų155.978%0.77580%0.804SS**  trans80.593.6163-45.3-28.5000117.8
480T32.6Very low30.1Very low156 Ų156153.6 Ų153.696%0.95781%0.806SS**  -146.1155.2124.9-16.80000110.5
481D30.8Very low30.2Very low141 Ų141151.6 Ų151.675%0.75480%0.8SS**  trans-95162.2-159-110.5-37.3000115.3
482I31.2Very low30.4Very low132 Ų132147.9 Ų147.968%0.67779%0.788SS**  trans50.4108.7144.3-58.3159.8000117.2
483D32.4Very low30.5Very low149 Ų149144.7 Ų144.780%0.79777%0.774SS**  -160.9159.997.1-127.7-36.3000114.6
484T30.3Very low31Very low119 Ų119142.6 Ų142.673%0.7377%0.767SS**  trans-87.3139.4-163.854.50000116
485T27.7Very low31.7Very low134 Ų134136.8 Ų136.882%0.82276%0.757SS**  trans-170.2138.8134.814.20000111
486P27.9Very low32.2Very low123 Ų123132.5 Ų132.580%0.79974%0.736SS**  trans-88.5116.4-174.932.9-32.1000112.3
487Y29.1Very low33.3Very low223 Ų223133.9 Ų133.988%0.87573%0.732SS**  trans-113.2127.7155-105.6-90000109.5K489Y487-K489 PolarHBondContact O-N 3.25Å; Y487-K489 VanDerWaalsContact O-N 3.17Å
488T31.3Very low34.3Very low133 Ų133131.9 Ų131.982%0.81672%0.72SS**  trans-65.5109.7-174.141.50000111.7D490T488-D490 PolarHBondContact O-N 3.01Å; T488-D490 VanDerWaalsContact O-N 3.11Å
489K31.5Very low35.8Very low187 Ų187125.2 Ų125.281%0.81371%0.706SS**  trans-68.899.9159.6-83.4-177.6172.7176.30109Y487 T491Y487-K489 PolarHBondContact O-N 3.25Å; Y487-K489 VanDerWaalsContact O-N 3.17Å; K489-T491 PolarHBondContact O-N 3.42Å; K489-T491 PolarHBondContact O-OG1 2.96Å; K489-T491 VanDerWaalsContact O-OG1 3.05Å
490D32.7Very low37.2Very low164 Ų164126.5 Ų126.588%0.87771%0.705SS**  trans-63.290.9157.8-106.9-8000107.8T488 G492T488-D490 PolarHBondContact O-N 3.01Å; T488-D490 VanDerWaalsContact O-N 3.11Å; D490-G492 PolarHBondContact O-N 3.25Å
491T30.9Very low38.1Very low121 Ų121121.5 Ų121.574%0.74268%0.68SS**  trans-81.966.3-175-50.60000108.3K489 G493K489-T491 PolarHBondContact O-N 3.42Å; K489-T491 PolarHBondContact O-OG1 2.96Å; K489-T491 VanDerWaalsContact O-OG1 3.05Å; T491-G493 PolarHBondContact O-N 3.23Å
492G34.2Very low39.2Very low56 Ų56117.6 Ų117.658%0.57767%0.667SS**  trans-7069.4172.300000110.8D490D490-G492 PolarHBondContact O-N 3.25Å
493G34Very low40.7Very low34 Ų34121 Ų12135%0.35167%0.671SS.*  trans-59.5177.8170.300000111.7T491 S495 G496 F497T491-G493 PolarHBondContact O-N 3.23Å; G493-S495 PolarHBondContact O-N 2.92Å; G493-G496 WeakPolarHBondContact O-CA 3.41Å; G493-G496 PolarHBondContact O-N 3Å; G493-F497 PolarHBondContact O-N 3.37Å
494I39.7Very low42Very low142 Ų142117 Ų11773%0.72866%0.655SS**Hα-helixtrans-53.3-33.6-176-58.6166.7000111.6F497 L498I494-F497 PolarHBondContact O-N 2.74Å; I494-L498 HydrophobicContact CG2-CD1 3.83Å; I494-L498 WeakPolarHBondContact O-CD1 3.48Å; I494-L498 PolarHBondContact O-N 2.97Å
495S43.5Very low43.3Very low90 Ų90115.5 Ų115.563%0.62965%0.646SS**Hα-helixtrans-63.3-35.6172.856.50000114.6G493 S499G493-S495 PolarHBondContact O-N 2.92Å; S495-S499 VanDerWaalsContact O-CB 3.29Å; S495-S499 WeakPolarHBondContact O-CB 3.45Å; S495-S499 PolarHBondContact O-N 3.29Å; S495-S499 PolarHBondContact O-OG 2.97Å
496G42.2Very low44.7Very low27 Ų27116.3 Ų116.328%0.27864%0.635SS.*Hα-helixtrans-71.3-36173.600000112.5G493 S499 K500G493-G496 WeakPolarHBondContact O-CA 3.41Å; G493-G496 PolarHBondContact O-N 3Å; G496-S499 PolarHBondContact O-N 2.91Å; G496-K500 PolarHBondContact O-N 2.78Å
497F49.3Very low46.2Very low166 Ų166114 Ų11473%0.72862%0.621SS**Hα-helixtrans-66.8-46.7172.3-128.4-83.8000111.1G493 I494 S499 K500 A501G493-F497 PolarHBondContact O-N 3.37Å; I494-F497 PolarHBondContact O-N 2.74Å; F497-S499 VanDerWaalsContact C-N 3.31Å; F497-S499 PolarHBondContact O-N 3.06Å; F497-K500 PolarHBondContact O-N 3.18Å; F497-A501 WeakPolarHBondContact O-CB 3.5Å; F497-A501 PolarHBondContact O-N 3.31Å
498L51.5Low47.2Very low114 Ų114111 Ų11160%0.59761%0.608SS**Hα-helixtrans-59.1-40171.2-98.389.1000112.2I494 A501 A502I494-L498 HydrophobicContact CG2-CD1 3.83Å; I494-L498 WeakPolarHBondContact O-CD1 3.48Å; I494-L498 PolarHBondContact O-N 2.97Å; L498-A501 PolarHBondContact O-N 3.01Å; L498-A502 WeakPolarHBondContact O-CB 3.41Å; L498-A502 PolarHBondContact O-N 3.18Å
499S60Low48Very low73 Ų73110.1 Ų110.151%0.5160%0.598SS.*Hα-helixtrans-67-37.6179.3-62.50000112.6S495 G496 F497 R503S495-S499 VanDerWaalsContact O-CB 3.29Å; S495-S499 WeakPolarHBondContact O-CB 3.45Å; S495-S499 PolarHBondContact O-N 3.29Å; S495-S499 PolarHBondContact O-OG 2.97Å; G496-S499 PolarHBondContact O-N 2.91Å; F497-S499 VanDerWaalsContact C-N 3.31Å; F497-S499 PolarHBondContact O-N 3.06Å; S499-R503 WeakPolarHBondContact O-CB 2.84Å; S499-R503 PolarHBondContact O-N 3.17Å
500K58.4Low49Very low172 Ų172107.1 Ų107.175%0.74859%0.589SS**Hα-helixtrans-69-42.7171.9-83-173.1175-179.40112G496 F497 R503 S504G496-K500 PolarHBondContact O-N 2.78Å; F497-K500 PolarHBondContact O-N 3.18Å; K500-R503 PolarHBondContact O-N 3.03Å; K500-S504 WeakPolarHBondContact O-CB 3.45Å; K500-S504 PolarHBondContact O-N 3.27Å
501A50.6Low49.8Very low52 Ų52104.3 Ų104.343%0.4358%0.582SS.*Hα-helixtrans-62.3-47.8175.500000111.6F497 L498 R503 S504 V505F497-A501 WeakPolarHBondContact O-CB 3.5Å; F497-A501 PolarHBondContact O-N 3.31Å; L498-A501 PolarHBondContact O-N 3.01Å; A501-R503 PolarHBondContact O-N 2.98Å; A501-S504 WeakPolarHBondContact O-CB 3.38Å; A501-S504 PolarHBondContact O-N 3.33Å; A501-S504 VanDerWaalsContact O-N 3.16Å; A501-V505 WeakPolarHBondContact O-CG2 3.5Å; A501-V505 PolarHBondContact O-N 3.38Å
502A55.5Low50.2Low59 Ų59103.3 Ų103.349%0.48858%0.58SS.*Hα-helixtrans-59.6-45175.500000111.6L498 S504 V505 Y506L498-A502 WeakPolarHBondContact O-CB 3.41Å; L498-A502 PolarHBondContact O-N 3.18Å; A502-S504 PolarHBondContact O-N 2.99Å; A502-V505 PolarHBondContact O-N 3.44Å; A502-Y506 VanDerWaalsContact O-CB 3.32Å; A502-Y506 WeakPolarHBondContact O-CB 3.35Å; A502-Y506 PolarHBondContact O-N 2.78Å
503R61.6Low50.2Low203 Ų203103.8 Ų103.877%0.76658%0.584SS**Hα-helixtrans-62.8-38.9173.3-91.6-176.8166174.5-3.7113S499 K500 A501 Y506 S507S499-R503 WeakPolarHBondContact O-CB 2.84Å; S499-R503 PolarHBondContact O-N 3.17Å; K500-R503 PolarHBondContact O-N 3.03Å; A501-R503 PolarHBondContact O-N 2.98Å; R503-Y506 PolarHBondContact O-N 2.85Å; R503-S507 WeakPolarHBondContact O-CB 3.46Å; R503-S507 PolarHBondContact O-N 2.85Å; R503-S507 PolarHBondContact O-OG 2.83Å
504S61Low50.3Low65 Ų65107.8 Ų107.846%0.45561%0.607SS.*Hα-helixtrans-61.4-48.1175.6-174.90000111.2K500 A501 A502 S507 R508K500-S504 WeakPolarHBondContact O-CB 3.45Å; K500-S504 PolarHBondContact O-N 3.27Å; A501-S504 WeakPolarHBondContact O-CB 3.38Å; A501-S504 PolarHBondContact O-N 3.33Å; A501-S504 VanDerWaalsContact O-N 3.16Å; A502-S504 PolarHBondContact O-N 2.99Å; S504-S507 PolarHBondContact O-N 2.82Å; S504-R508 WeakPolarHBondContact O-CB 3.35Å; S504-R508 PolarHBondContact O-N 3.32Å
505V56.4Low49.8Very low87 Ų87105.8 Ų105.853%0.52761%0.605SS.*Hα-helixtrans-63.8-43.4176.3174.20000111.4A501 A502 R508 L509A501-V505 WeakPolarHBondContact O-CG2 3.5Å; A501-V505 PolarHBondContact O-N 3.38Å; A502-V505 PolarHBondContact O-N 3.44Å; V505-R508 PolarHBondContact O-N 3.13Å; V505-L509 HydrophobicContact CG1-CD1 3.84Å; V505-L509 HydrophobicContact CG1-CG 4.42Å; V505-L509 WeakPolarHBondContact O-CB 3Å; V505-L509 WeakPolarHBondContact O-CG 3.45Å; V505-L509 PolarHBondContact O-N 2.7Å
506Y57.4Low49.2Very low151 Ų151109.5 Ų109.559%0.59261%0.613SS**Hα-helixtrans-65-40.6178.4-139.6-95.4000112A502 R503 L509 M510A502-Y506 VanDerWaalsContact O-CB 3.32Å; A502-Y506 WeakPolarHBondContact O-CB 3.35Å; A502-Y506 PolarHBondContact O-N 2.78Å; R503-Y506 PolarHBondContact O-N 2.85Å; Y506-L509 PolarHBondContact O-N 3.01Å; Y506-M510 HydrophobicContact CD1-CE 4.12Å; Y506-M510 HydrophobicContact CD1-CG 4.02Å; Y506-M510 HydrophobicContact CE1-CE 3.46Å; Y506-M510 VanDerWaalsContact CE1-CE 3.46Å; Y506-M510 HydrophobicContact CE1-CG 4.25Å; Y506-M510 WeakPolarHBondContact O-CB 3.47Å; Y506-M510 VanDerWaalsContact O-CG 3.23Å; Y506-M510 WeakPolarHBondContact O-CG 3.42Å; Y506-M510 PolarHBondContact O-N 3.19Å
507S59.6Low48.5Very low74 Ų74115.3 Ų115.352%0.51764%0.637SS.*Hα-helixtrans-65.8-41.5173.6-64.60000112R503 S504 L509 M510 S511R503-S507 WeakPolarHBondContact O-CB 3.46Å; R503-S507 PolarHBondContact O-N 2.85Å; R503-S507 PolarHBondContact O-OG 2.83Å; S504-S507 PolarHBondContact O-N 2.82Å; S507-L509 VanDerWaalsContact C-N 3.35Å; S507-M510 PolarHBondContact O-N 3.11Å; S507-S511 WeakPolarHBondContact O-CB 3.32Å; S507-S511 PolarHBondContact O-N 3.05Å; S507-S511 PolarHBondContact O-OG 2.9Å
508R50.6Low47.6Very low161 Ų161112.4 Ų112.461%0.60864%0.643SS**Hα-helixtrans-67.8-35177.8-158.7178.3-79.2-169.6-2.3111.4S504 V505 S512S504-R508 WeakPolarHBondContact O-CB 3.35Å; S504-R508 PolarHBondContact O-N 3.32Å; V505-R508 PolarHBondContact O-N 3.13Å; R508-S512 WeakPolarHBondContact O-CB 3.46Å; R508-S512 PolarHBondContact O-N 3.46Å; R508-S512 PolarHBondContact O-OG 3.38Å
509L48.1Very low46.5Very low114 Ų114114.1 Ų114.160%0.59765%0.652SS**Hα-helixtrans-68.3-45.6171.6-77.2167000112.4V505 Y506 S507 S512V505-L509 HydrophobicContact CG1-CD1 3.84Å; V505-L509 HydrophobicContact CG1-CG 4.42Å; V505-L509 WeakPolarHBondContact O-CB 3Å; V505-L509 WeakPolarHBondContact O-CG 3.45Å; V505-L509 PolarHBondContact O-N 2.7Å; Y506-L509 PolarHBondContact O-N 3.01Å; S507-L509 VanDerWaalsContact C-N 3.35Å; L509-S512 PolarHBondContact O-N 2.91Å
510M51.6Low45.3Very low125 Ų125120.2 Ų120.262%0.61667%0.67SS**Hα-helixtrans-72.6-33.9-177.6-69.1-63.5167.800113.1Y506 S507 S512Y506-M510 HydrophobicContact CD1-CE 4.12Å; Y506-M510 HydrophobicContact CD1-CG 4.02Å; Y506-M510 HydrophobicContact CE1-CE 3.46Å; Y506-M510 VanDerWaalsContact CE1-CE 3.46Å; Y506-M510 HydrophobicContact CE1-CG 4.25Å; Y506-M510 WeakPolarHBondContact O-CB 3.47Å; Y506-M510 VanDerWaalsContact O-CG 3.23Å; Y506-M510 WeakPolarHBondContact O-CG 3.42Å; Y506-M510 PolarHBondContact O-N 3.19Å; S507-M510 PolarHBondContact O-N 3.11Å; M510-S512 VanDerWaalsContact C-N 3.3Å; M510-S512 PolarHBondContact O-N 3.17Å
511S49Very low43.8Very low105 Ų105118.7 Ų118.773%0.73467%0.67SS**Hα-helixtrans-72.6-19.4173-72.50000113.9S507 G513S507-S511 WeakPolarHBondContact O-CB 3.32Å; S507-S511 PolarHBondContact O-N 3.05Å; S507-S511 PolarHBondContact O-OG 2.9Å; S511-G513 VanDerWaalsContact C-N 3.26Å; S511-G513 PolarHBondContact O-N 3.43Å
512S39.7Very low42.9Very low100 Ų100122.8 Ų122.870%0.69969%0.689SS**THydrogen-bonded Turntrans-85.99-178.8-58.80000113.8R508 L509 M510R508-S512 WeakPolarHBondContact O-CB 3.46Å; R508-S512 PolarHBondContact O-N 3.46Å; R508-S512 PolarHBondContact O-OG 3.38Å; L509-S512 PolarHBondContact O-N 2.91Å; M510-S512 VanDerWaalsContact C-N 3.3Å; M510-S512 PolarHBondContact O-N 3.17Å
513G35.4Very low41.6Very low65 Ų65125.1 Ų125.167%0.6770%0.7SS**THydrogen-bonded Turntrans-96.1-12.2-171.500000117.3S511S511-G513 VanDerWaalsContact C-N 3.26Å; S511-G513 PolarHBondContact O-N 3.43Å
514S34.7Very low40.1Very low119 Ų119124 Ų12483%0.83271%0.708SS**  trans-109.997.6-172-161.80000113.2
515S30.2Very low38.5Very low99 Ų99126.1 Ų126.169%0.69272%0.718SS**  trans-80.5166.3168.756.20000112.2
516Q30.3Very low37.3Very low169 Ų169128.7 Ų128.779%0.7973%0.729SS**  trans92.7111.9168.9-57.5-170.92.300119.4
517L28Very low36.1Very low149 Ų149129.1 Ų129.178%0.7873%0.734SS**  trans58.597.6131.7-72.1153.4000119.3
518A29.6Very low34.7Very low104 Ų104132.5 Ų132.586%0.8674%0.741SS**  trans-143.672.1149.400000110.9
519L29.7Very low33.8Very low150 Ų150131.5 Ų131.579%0.78574%0.744SS**  trans-69126.8160.9-86.5163.9000108.5
520K32.8Very low33Very low201 Ų201130.9 Ų130.987%0.87475%0.749SS**  trans-128.6100.3165.5-109.3-173.1175-177.10108.7
521D27.7Very low32Very low141 Ų141133 Ų13375%0.75476%0.759SS**  trans-64.2141.8171.4-59.8-62.4000110.8
522T31Very low31.1Very low137 Ų137135.2 Ų135.284%0.8476%0.761SS**  trans-149.697.5158.6-54.30000108.8
523P28.5Very low30.7Very low108 Ų108136.9 Ų136.970%0.70176%0.762SS**  trans-87.3143.9177.633.7-32.2000111
524L29.7Very low30.5Very low180 Ų180138.3 Ų138.394%0.94276%0.762SS**  trans-134.8131.6159.2-153.573.7000111.1
525V28.2Very low30.5Very low110 Ų110137.8 Ų137.867%0.66776%0.758SS**  trans-111.2160.2-170.1171.60000109.5
526N32.1Very low30.6Very low140 Ų140142.5 Ų142.575%0.74977%0.766SS**  trans100137.2172.6-59.1-64.9000114.5
527K30.7Very low30.7Very low160 Ų160139.5 Ų139.570%0.69676%0.764SS**  cis-162.7140.112.5-134.4179.1177.4-166.90112.9
528Q30.1Very low30.8Very low145 Ų145139.1 Ų139.168%0.67876%0.762SS**  trans60.1141.6147.9-73.1172.4-72.200118.9
529Q31.5Very low30.7Very low141 Ų141141.5 Ų141.566%0.65976%0.759SS**  cis-160.6134.824.8-169.982.26.900112.6
530S32.4Very low30.8Very low101 Ų101142.6 Ų142.671%0.70676%0.76SS**  trans51.8140.3151.268.50000122
531M31Very low30.5Very low169 Ų169137.8 Ų137.883%0.83375%0.752SS**  cis-141.3136.12.6-60.1-172.8-91.500107.4
532I29.1Very low30.5Very low151 Ų151136.9 Ų136.977%0.77476%0.755SS**  47.9110.679.3-51.4177.9000110.7
533D32.4Very low30.4Very low136 Ų136135.5 Ų135.573%0.72775%0.751SS**  -151.7141.563-117.8-46.8000117.7
534S29.8Very low30.4Very low94 Ų94137 Ų13766%0.65776%0.758SS**  trans36.5115.7132.4-55.40000122
535S34.9Very low30.4Very low109 Ų109131.9 Ų131.976%0.76275%0.748SS**  -168.3127.679.3-64.70000110.9
536K33.2Very low30.4Very low198 Ų198134.2 Ų134.286%0.86176%0.757SS**  46.1134.590.1-67.2-178.3-179.7176.30114.6
537S32.6Very low30.3Very low106 Ų106137.6 Ų137.674%0.74177%0.765SS**  cis-173.6171.3-6.345.20000107.2
538L30.4Very low30.2Very low141 Ų141134.1 Ų134.174%0.73877%0.766SS**  cis-155.9174.917.2-163.268.6000109.4
539I27.6Very low30.2Very low153 Ų153136.1 Ų136.179%0.78578%0.776SS**  trans-120.9134.5157.8-67167.1000107.2
540E30.5Very low30.3Very low173 Ų173134.1 Ų134.181%0.80878%0.777SS**  trans-140.6131.4168.3-168.3158.3-152.400111.3
541S26.9Very low30.2Very low101 Ų101136.1 Ų136.171%0.70678%0.778SS**  trans-131.6111.5-171.9-53.40000110.2
542C28Very low30.2Very low122 Ų122137.4 Ų137.482%0.82478%0.779SS**  trans-150.8115.1164.4-840000107.5
543S29.9Very low30.4Very low107 Ų107139.1 Ų139.175%0.74878%0.781SS**  90.5104.566.1-168.40000113.6
544V28Very low30.6Very low140 Ų140139.7 Ų139.785%0.84878%0.779SS**  trans52.4119.4148.2-172.30000119.8
545G30.2Very low30.6Very low72 Ų72143.6 Ų143.674%0.74279%0.792SS**  trans-171.493.6163.900000113.8
546N26.7Very low30.6Very low160 Ų160143.4 Ų143.486%0.85679%0.791SS**  trans-68.4135.9177.7-67.5-27.7000112.5
547K31.2Very low30.8Very low210 Ų210140.8 Ų140.891%0.91378%0.784SS**  trans-158.6135.9140.9-115.3170.1-176.4-178.30111.8
548A27.9Very low31.1Very low87 Ų87141.9 Ų141.972%0.71978%0.778SS**  trans-88.1-171.6175.200000111
549E30.4Very low31.4Very low188 Ų188143.8 Ų143.888%0.87978%0.783SS**  trans75.7139.6171.6-64.7-176.2134.200116.6
550S33.2Very low32.1Very low98 Ų98142.4 Ų142.469%0.68577%0.773SS**  cis-170.9179.1-18.4-155.80000110.1
551I31.1Very low32.6Very low143 Ų143139.8 Ų139.873%0.73376%0.759SS**  trans76.296.1155.1-59150.5000118.3
552K30.5Very low33.3Very low196 Ų196141.4 Ų141.485%0.85276%0.755SS**  36.7113.1120.2-58.3174.8174.8-179.30119.6
553K33.7Very low34.1Very low187 Ų187142.7 Ų142.781%0.81375%0.749SS**  trans-167.9143.8136.9-102.2-174.9175-109.10107.3
554E35Very low34.6Very low148 Ų148145.5 Ų145.569%0.69274%0.743SS**  cis-157124.4-10.7-158158.816400106.5S556E554-S556 PolarHBondContact O-N 3.44Å
555L30.9Very low35.4Very low177 Ų177144.8 Ų144.893%0.92773%0.731SS**  trans-79.4116.9175.2-97.296.1000109.8
556S35.4Very low35.9Very low105 Ų105148 Ų14873%0.73473%0.727SS**  trans-167.8109.1159.2-79.90000108.7E554E554-S556 PolarHBondContact O-N 3.44Å
557I35.8Very low36.5Very low142 Ų142147.1 Ų147.173%0.72872%0.717SS**SBendtrans177.2-35.3156.2-94.7150.1000110.7Q559 E560I557-Q559 PolarHBondContact O-N 2.98Å; I557-E560 PolarHBondContact O-N 2.9Å
558E38.8Very low36.8Very low129 Ų129144.3 Ų144.360%0.60371%0.707SS**THydrogen-bonded Turntrans-74.15.5-170.8-135.564.6-150.900115.9K561E558-K561 WeakPolarHBondContact OE1-CD 3.43Å; E558-K561 IonicContact OE1-NZ 3.68Å; E558-K561 PolarHBondContact OE1-NZ 3.27Å
559Q38.5Very low37.2Very low182 Ų182148.2 Ų148.285%0.8571%0.711SS**THydrogen-bonded Turntrans-89.4-13.2172.7-160.3167.41.800112.9I557I557-Q559 PolarHBondContact O-N 2.98Å
560E41.1Very low37.5Very low123 Ų123146.7 Ų146.758%0.57570%0.703SS**SBendtrans-94.9-1.5179.1-146.9-166.3136.300113.6I557 R564I557-E560 PolarHBondContact O-N 2.9Å; E560-R564 IonicContact OE1-CZ 3.97Å; E560-R564 IonicContact OE1-NE 3.36Å; E560-R564 IonicContact OE1-NH2 3.79Å; E560-R564 PolarHBondContact OE1-NH2 2.88Å
561K42Very low37.7Very low118 Ų118146.6 Ų146.651%0.51370%0.703SS.*SBendtrans-99.2-28.4-174.2-146.5178.3-177.9-174.90113.4E558 R564 E565E558-K561 WeakPolarHBondContact OE1-CD 3.43Å; E558-K561 IonicContact OE1-NZ 3.68Å; E558-K561 PolarHBondContact OE1-NZ 3.27Å; K561-R564 PolarHBondContact O-N 3.45Å; K561-E565 PolarHBondContact O-N 3.37Å
562H41.9Very low37.6Very low135 Ų135145.2 Ų145.263%0.62571%0.705SS**Hα-helixtrans-77.3-22.1-178-152.154.6000113.7
563E43.1Very low37.7Very low149 Ų149143.3 Ų143.370%0.69670%0.703SS**Hα-helixtrans-81.5-22.8171.7-70.3-174150.800113.1
564R42.4Very low37.5Very low166 Ų166142 Ų14263%0.62670%0.704SS**Hα-helixtrans-79.5-31.5178.6-64.7-171-170.5-159.35.8113E560 K561E560-R564 IonicContact OE1-CZ 3.97Å; E560-R564 IonicContact OE1-NE 3.36Å; E560-R564 IonicContact OE1-NH2 3.79Å; E560-R564 PolarHBondContact OE1-NH2 2.88Å; K561-R564 PolarHBondContact O-N 3.45Å
565E43.6Very low37.3Very low126 Ų126141.1 Ų141.159%0.58971%0.709SS**Hα-helixtrans-79.3-27178.6-72.7179.116000113.4K561K561-E565 PolarHBondContact O-N 3.37Å
566Q40.7Very low37.1Very low139 Ų139138.8 Ų138.865%0.6570%0.703SS**Hα-helixtrans-73.8-30.6169.8-73.3-161.48.500113.2Q568Q566-Q568 VanDerWaalsContact C-N 3.31Å; Q566-Q568 PolarHBondContact O-N 3.42Å
567H40.4Very low36.7Very low141 Ų141139.1 Ų139.165%0.65371%0.705SS**Hα-helixtrans-75.9-14.2177.4-96-56.7000114.7
568Q35.8Very low36.5Very low151 Ų151137.5 Ų137.571%0.70671%0.706SS**Hα-helixtrans-88.7-15.5178.5-159153.825.100113.8Q566Q566-Q568 VanDerWaalsContact C-N 3.31Å; Q566-Q568 PolarHBondContact O-N 3.42Å
569Q36.1Very low36Very low170 Ų170140.9 Ų140.979%0.79472%0.719SS**SBendtrans-93.2-3.8176.1-65.7-171.33.900114.5
570Q37.3Very low35.7Very low156 Ų156137.9 Ų137.973%0.72971%0.713SS**SBendtrans-96.61.6170.2-74-176.2-12.100113.8
571S37.2Very low35.2Very low96 Ų96140.8 Ų140.867%0.67173%0.727SS**SBendtrans-100.3-0.2-175.3-168.50000115.2
572C30.3Very low34.7Very low114 Ų114139.9 Ų139.977%0.7774%0.735SS**SBendtrans-103.66.5-174.7-62.30000114.4
573L31.4Very low34.4Very low155 Ų155141.6 Ų141.681%0.81274%0.743SS**SBendtrans-116.369.8177.2-73168000110.2
574N30.1Very low34.2Very low159 Ų159142.4 Ų142.485%0.8575%0.747SS**  trans17761.5162.5-94-23.8000114.2
575V29.7Very low33.9Very low130 Ų130140.6 Ų140.679%0.78875%0.749SS**  trans-143.786.3152.1-170.30000110.5
576T27.9Very low33.5Very low129 Ų129138.6 Ų138.679%0.79175%0.749SS**  trans-79.7147.4154.8-350000108.1
577S27.3Very low33.3Very low112 Ų112138.8 Ų138.878%0.78375%0.75SS**  trans59.789.9170.962.60000118.9
578S31.1Very low33Very low108 Ų108139.6 Ų139.676%0.75575%0.754SS**  trans-15486.6134.664.60000111.1
579F27.1Very low33Very low199 Ų199139 Ų13987%0.87375%0.754SS**  trans-64.2161.8161.2-167.6-108.2000109.3
580V32.2Very low33.1Very low120 Ų120136.4 Ų136.473%0.72775%0.746SS**  trans76.193.1-179.8-165.30000116
581Q31.5Very low33.3Very low183 Ų183134.8 Ų134.886%0.85574%0.742SS**  trans-176.8-1.2136.7-108.8176.5-4.200117.9E583Q581-E583 PolarHBondContact O-N 2.95Å
582S32.2Very low33.3Very low100 Ų100135.9 Ų135.970%0.69974%0.74SS**G310 helixtrans-855.3-175.160.20000116.4Q584S582-Q584 PolarHBondContact O-N 3.29Å
583E34.9Very low33.8Very low170 Ų170136.9 Ų136.979%0.79473%0.734SS**G310 helixtrans-76.1-5.6-173.4-159.4166-163.200114.2Q581Q581-E583 PolarHBondContact O-N 2.95Å
584Q38.1Very low34.4Very low167 Ų167137 Ų13778%0.7873%0.73SS**G310 helixtrans-99.7-2.7-177.8-71.3-175.8-27.300115.2S582S582-Q584 PolarHBondContact O-N 3.29Å
585I36.1Very low35.1Very low127 Ų127133.7 Ų133.765%0.65172%0.716SS**SBendtrans-94.2-24-180-62.1175.6000111.6Q587 Q588I585-Q587 PolarHBondContact O-N 2.9Å; I585-Q587 VanDerWaalsContact O-N 3.11Å; I585-Q588 PolarHBondContact O-N 3.09Å
586S35.4Very low35.4Very low85 Ų85136.8 Ų136.859%0.59471%0.714SS**THydrogen-bonded Turntrans-73.75.2178.2-52.70000115.1
587Q36.3Very low35.8Very low143 Ų143137.8 Ų137.867%0.66871%0.707SS**THydrogen-bonded Turntrans-116.16.4-179.6-78.2164.15.600113.6I585I585-Q587 PolarHBondContact O-N 2.9Å; I585-Q587 VanDerWaalsContact O-N 3.11Å
588Q35.5Very low36.2Very low158 Ų158137.4 Ų137.474%0.73870%0.7SS**SBendtrans-109-0.2174.3-153.683.278.500113I585I585-Q588 PolarHBondContact O-N 3.09Å
589L36.1Very low36.3Very low137 Ų137137.5 Ų137.572%0.71770%0.696SS**SBendtrans-116.411.7-178.8-82.6164.2000113
590L38.5Very low36.6Very low117 Ų117133 Ų13361%0.61369%0.689SS**SBendtrans-98-1.7-178.5-88.2164.2000114.1
591D40Very low36.7Very low121 Ų121130.9 Ų130.965%0.64768%0.68SS**SBendtrans-89.1-11.4-176.1-68.2-26.4000114
592D38.5Very low36.7Very low120 Ų120127.5 Ų127.564%0.64267%0.671SS**SBendtrans-93.5-8-179.7-71-29.3000113.9
593E39.9Very low36.9Very low135 Ų135131.2 Ų131.263%0.63168%0.677SS**SBendtrans-79.1-20.6179.4-168.977-146.300112.2
594E43.5Very low36.8Very low157 Ų157130.9 Ų130.973%0.73468%0.681SS**SBendtrans-86.3-22.3-176.6-162.7158.2-130.200112.9W596E594-W596 VanDerWaalsContact C-N 3.33Å; E594-W596 PolarHBondContact O-N 3.09Å
595T45.5Very low36.7Very low90 Ų90130.4 Ų130.455%0.55268%0.683SS**SBendtrans-71.3-26.7-179.8-10.30000113.1
596W35.6Very low36.5Very low195 Ų195132.5 Ų132.574%0.73970%0.695SS**SBendtrans-88.4-14.9-178-72.798.3000114.6E594 T598E594-W596 VanDerWaalsContact C-N 3.33Å; E594-W596 PolarHBondContact O-N 3.09Å; W596-T598 VanDerWaalsContact C-N 3.3Å; W596-T598 PolarHBondContact O-N 2.94Å
597K35.9Very low36.2Very low150 Ų150131.1 Ų131.165%0.65270%0.695SS**THydrogen-bonded Turntrans-74.7-16.9174.1-76.2178.4-179.9165.50113.9
598T37Very low35.9Very low104 Ų104129.2 Ų129.264%0.63870%0.697SS**THydrogen-bonded Turntrans-86.6-12.8-178.9-42.30000113.5W596 S601W596-T598 VanDerWaalsContact C-N 3.3Å; W596-T598 PolarHBondContact O-N 2.94Å; T598-S601 PolarHBondContact O-OG 3.46Å
599V32.7Very low35.6Very low109 Ų109129.2 Ų129.266%0.66170%0.699SS**THydrogen-bonded Turntrans-98.1-12.4178.2-171.70000112
600S33Very low35.3Very low106 Ų106130.9 Ų130.974%0.74170%0.703SS**SBendtrans-102.510.2179.9-165.10000114.6
601S34Very low34.9Very low75 Ų75131.6 Ų131.652%0.52471%0.706SS.*  trans-100.73.5-178.558.60000114.6T598T598-S601 PolarHBondContact O-OG 3.46Å
602V32.4Very low34.3Very low112 Ų112130.6 Ų130.668%0.67971%0.708SS**SBendtrans-107.252.5-176.4-165.30000111.6
603H37Very low34Very low177 Ų177129.9 Ų129.982%0.81971%0.713SS**  trans-152.28.5161.8-89.7-42.7000116.4L605H603-L605 PolarHBondContact O-N 3.07Å
604D32Very low33.4Very low163 Ų163132.3 Ų132.387%0.87272%0.722SS**  trans-74.954.4167.5-80.1-25.9000112.2N606D604-N606 PolarHBondContact O-N 3Å
605L35.8Very low32.8Very low157 Ų157132.7 Ų132.782%0.82273%0.725SS**  trans-9374.3165.9-76.3174.3000109.6H603 G607H603-L605 PolarHBondContact O-N 3.07Å; L605-G607 PolarHBondContact O-N 3.49Å
606N32.6Very low31.9Very low171 Ų171137.2 Ų137.291%0.91474%0.74SS**  trans-6739.3152.6-104.1-9.2000111.1D604 S608D604-N606 PolarHBondContact O-N 3Å; N606-S608 PolarHBondContact O-N 3.29Å
607G28.9Very low31.7Very low57 Ų57135.1 Ų135.159%0.58874%0.742SS**  trans-75.590175.900000109.1L605 M609L605-G607 PolarHBondContact O-N 3.49Å; G607-M609 VanDerWaalsContact C-N 3.3Å; G607-M609 PolarHBondContact O-N 3.08Å
608S28.8Very low31.4Very low102 Ų102134.6 Ų134.671%0.71375%0.751SS**  trans-58.297162.354.60000108.4N606 E610N606-S608 PolarHBondContact O-N 3.29Å; S608-E610 PolarHBondContact O-N 3.26Å
609M29Very low31Very low159 Ų159133.1 Ų133.178%0.78376%0.757SS**  trans-70.585.4171.2-179.1164.954.800108G607 I611G607-M609 VanDerWaalsContact C-N 3.3Å; G607-M609 PolarHBondContact O-N 3.08Å; M609-I611 HydrophobicContact CG-CG1 4.19Å; M609-I611 PolarHBondContact O-N 2.98Å
610E29.9Very low30.8Very low171 Ų171133.4 Ų133.480%0.79976%0.764SS**  trans-60.7100.4163.7-71.5-168.5156.600107.9S608 S612S608-E610 PolarHBondContact O-N 3.26Å; E610-S612 PolarHBondContact O-N 3.49Å
611I30.4Very low30.8Very low133 Ų133134.6 Ų134.668%0.68277%0.771SS**  trans-71.188172.3-55.2176.3000107M609 S613M609-I611 HydrophobicContact CG-CG1 4.19Å; M609-I611 PolarHBondContact O-N 2.98Å; I611-S613 PolarHBondContact O-N 3.15Å
612S27.3Very low30.7Very low99 Ų99136.5 Ų136.569%0.69278%0.779SS**  trans-71.575.7176.9-164.50000110.4E610 K614E610-S612 PolarHBondContact O-N 3.49Å; S612-K614 PolarHBondContact O-N 3.07Å
613S31.8Very low30.6Very low105 Ų105138.6 Ų138.673%0.73479%0.786SS**  trans-75.859.6169.7-71.20000111.3I611 M615I611-S613 PolarHBondContact O-N 3.15Å; S613-M615 PolarHBondContact O-N 3.36Å
614K28.7Very low30.3Very low187 Ų187133.5 Ų133.581%0.81378%0.782SS**  trans-72.675.6154.5-83.4-173.5173.1179.80108.8S612 E616S612-K614 PolarHBondContact O-N 3.07Å; K614-E616 PolarHBondContact O-N 3.13Å
615M30.6Very low30.4Very low164 Ų164133.8 Ų133.881%0.80878%0.783SS**  trans-74.1116157.9-173.492.8100.900107S613 I617S613-M615 PolarHBondContact O-N 3.36Å; M615-I617 PolarHBondContact O-N 3.47Å; M615-I617 VanDerWaalsContact O-N 3.12Å
616E26.6Very low30Very low185 Ų185130.2 Ų130.286%0.86479%0.785SS**  trans-64.1110.8174.7-66.2178.9128.100110.2K614K614-E616 PolarHBondContact O-N 3.13Å
617I30.8Very low30Very low152 Ų152127 Ų12778%0.77978%0.782SS**  trans-117.997.2158.4-59.1-177.3000107M615 G619M615-I617 PolarHBondContact O-N 3.47Å; M615-I617 VanDerWaalsContact O-N 3.12Å; I617-G619 PolarHBondContact O-N 3.04Å
618T29.2Very low29.9Very low139 Ų139133.2 Ų133.285%0.85380%0.798SS**  trans-56.7117.6172.3470000110.6
619G29Very low30.2Very low73 Ų73136.2 Ų136.275%0.75381%0.805SS**  trans-166.773.7-177.900000112I617I617-G619 PolarHBondContact O-N 3.04Å
620S28.2Very low30.3Very low115 Ų115136 Ų13680%0.80481%0.806SS**  trans-66.9127176.4550000112.3
621C33.8Very low30.4Very low131 Ų131131.3 Ų131.389%0.88580%0.804SS**  trans-153.2138.9143.6-93.80000108
622T31.5Very low30.5Very low114 Ų114131.9 Ų131.970%0.69981%0.809SS**  trans-103.1176.8-168.745.70000112.5
623D31.5Very low30.9Very low156 Ų156136.7 Ų136.783%0.83482%0.817SS**  trans84.3128.7155-45.4-49000118.6
624G30.3Very low31.2Very low71 Ų71140.5 Ų140.573%0.73282%0.823SS**  trans132.262.7154.400000118.6
625D33.8Very low31.6Very low168 Ų168137.4 Ų137.490%0.89882%0.816SS**  trans31.7105.4144.7-60.7-23000121.2
626G27.7Very low32Very low83 Ų83135.3 Ų135.386%0.85681%0.812SS**  trans0.3123.6149.500000121.8
627A32Very low32.5Very low104 Ų104134.7 Ų134.786%0.8681%0.809SS**  trans-150.2116.9138.800000110.5
628M27.6Very low32.7Very low187 Ų187132.6 Ų132.692%0.92181%0.807SS**  trans-73.7129159.6-71.7-178.971.200108.6
629L35.1Very low33Very low164 Ų164132.4 Ų132.486%0.85980%0.8SS**  trans-170135.9140.3-105162000112.7
630L31.2Very low33.2Very low154 Ų154136.3 Ų136.381%0.80680%0.799SS**  trans-25.8141.4170.3-82.350000117.2
631G31Very low33.4Very low73 Ų73138.1 Ų138.175%0.75380%0.799SS**  trans-161.78.1179.700000120.6
632N32.1Very low33.4Very low145 Ų145142.6 Ų142.678%0.77580%0.798SS**  trans42.796.9157-55.1-10.6000120.6
633K36.9Very low33.5Very low200 Ų200146.4 Ų146.487%0.8781%0.805SS**  trans-164.6165.8139.2-117.1168.5-180179.90110.8
634E37.2Very low33.5Very low185 Ų185144.6 Ų144.686%0.86480%0.8SS**SBendtrans73.933.9167.9-61.9171.4-171.700119.1
635N37.2Very low33.6Very low122 Ų122147.1 Ų147.165%0.65280%0.801SS**  trans-125.725.6168.4-135.40.6000114.4
636T38.6Very low33.6Very low120 Ų120147.9 Ų147.974%0.73680%0.799SS**SBendtrans-91.5-9.2-173.1-20.50000114.4
637E37.1Very low33.8Very low172 Ų172152.4 Ų152.480%0.80480%0.798SS**SBendtrans-111.5-23.1-173.9-66.2-179176.200113.7L639E637-L639 VanDerWaalsContact C-N 3.34Å; E637-L639 PolarHBondContact O-N 3.14Å
638C35.8Very low33.8Very low109 Ų109155.1 Ų155.174%0.73680%0.798SS**THydrogen-bonded Turntrans-81.3-0.3179.6-92.40000115.8
639L34.9Very low34.2Very low134 Ų134155 Ų15570%0.70280%0.799SS**THydrogen-bonded Turntrans-111.9-0.6-178.7-84.5167000115.1E637E637-L639 VanDerWaalsContact C-N 3.34Å; E637-L639 PolarHBondContact O-N 3.14Å
640Q34.6Very low34Very low155 Ų155150.2 Ų150.272%0.72479%0.79SS**SBendtrans-83.2-19.3173.5-70.2-161.5-3.700113.9Y642Q640-Y642 VanDerWaalsContact C-N 3.29Å; Q640-Y642 PolarHBondContact O-N 3.21Å
641L32.5Very low34Very low154 Ų154150.7 Ų150.781%0.80679%0.793SS**THydrogen-bonded Turntrans-77.7-3.2-175.9-85.7165000115.6
642Y32.8Very low34.1Very low224 Ų224153.8 Ų153.888%0.87880%0.797SS**THydrogen-bonded Turntrans-118.110.2-178.1-113.4-89.2000114.9Q640Q640-Y642 VanDerWaalsContact C-N 3.29Å; Q640-Y642 PolarHBondContact O-N 3.21Å
643K33.2Very low34.2Very low194 Ų194151.6 Ų151.684%0.84379%0.793SS**SBendtrans-127.820.4-176-144-173.4178.1-171.80115.5
644T31.9Very low34Very low118 Ų118151 Ų15172%0.72480%0.796SS**SBendtrans-128.732.2-175.2-36.40000112.5
645V32.7Very low33.7Very low124 Ų124151 Ų15175%0.75279%0.793SS**SBendtrans-126.817.2-175.8-162.80000112.2
646H34.3Very low33.5Very low184 Ų184150.6 Ų150.685%0.85280%0.799SS**SBendtrans-143-5.8-176.8-109.4-60.5000118.9
647E31.3Very low33.1Very low178 Ų178153.6 Ų153.683%0.83281%0.805SS**SBendtrans-130.1157.7169.7-78.8165.1142.400108.2
648D31.6Very low32.9Very low161 Ų161153.1 Ų153.186%0.86181%0.808SS**  trans75.948.9179.2-53.6-16.1000119.6
649I36.5Very low32.7Very low184 Ų184153.9 Ų153.994%0.94481%0.81SS**  trans-130.454.3152.3-44.6179.2000109.8
650G30.5Very low32.6Very low65 Ų65152.7 Ų152.767%0.6781%0.813SS**SBendtrans-14824.2-169.100000115.7
651D32.2Very low32.6Very low164 Ų164150.1 Ų150.188%0.87781%0.812SS**  trans-17686.1157.8-100.1-25.3000110.9
652V32.8Very low32.5Very low138 Ų138148.2 Ų148.284%0.83681%0.807SS**  trans-129.7103.8161.4-176.30000109.1M654V652-M654 PolarHBondContact O-N 3.35Å; V652-M654 VanDerWaalsContact O-N 3.12Å
653S34.3Very low32.5Very low99 Ų99142.9 Ų142.969%0.69280%0.802SS**  trans-50111.7172.6179.80000111.5K655S653-K655 PolarHBondContact O-N 3.32Å
654M31.7Very low32.5Very low187 Ų187140.6 Ų140.692%0.92180%0.799SS**  trans-71.574.5170.3-73.9-87.7-80.500110.3V652 S656V652-M654 PolarHBondContact O-N 3.35Å; V652-M654 VanDerWaalsContact O-N 3.12Å; M654-S656 PolarHBondContact O-N 3.39Å
655K32Very low32.5Very low185 Ų185142.3 Ų142.380%0.80480%0.803SS**  trans-77.8103.6160.7-83.7-172174.6-177.50108.6S653 E657S653-K655 PolarHBondContact O-N 3.32Å; K655-E657 PolarHBondContact O-N 3.35Å
656S31.3Very low32.5Very low113 Ų113141.7 Ų141.779%0.7980%0.804SS**  trans-72.1105172.254.40000110.6M654M654-S656 PolarHBondContact O-N 3.39Å
657E31.6Very low32.4Very low184 Ų184144.9 Ų144.986%0.8681%0.809SS**  trans-109.7106.9161-84.4-174.4161.900110.2K655 T659K655-E657 PolarHBondContact O-N 3.35Å; E657-T659 PolarHBondContact O-N 3.08Å
658N31.3Very low32.4Very low161 Ų161140 Ų14086%0.86179%0.794SS**  trans-68.1109.6166.8-78.2-27.3000109.4
659T33.6Very low32.5Very low126 Ų126138.4 Ų138.477%0.77379%0.793SS**  trans-124.5100.4149.453.80000110E657 S661E657-T659 PolarHBondContact O-N 3.08Å; T659-S661 PolarHBondContact O-N 2.88Å
660S31.6Very low32.5Very low109 Ų109136.8 Ų136.876%0.76279%0.785SS**  trans-10.4121.4148.351.20000115.9
661S34.2Very low33Very low101 Ų101142.5 Ų142.571%0.70679%0.792SS**  -178.2133.6117.8-79.60000112.7T659T659-S661 PolarHBondContact O-N 2.88Å
662T31.3Very low33.2Very low114 Ų114142.9 Ų142.970%0.69979%0.788SS**  trans50.9108.8150.258.80000119N664T662-N664 PolarHBondContact O-N 3.3Å; T662-N664 VanDerWaalsContact O-N 3.16Å
663S32Very low33.4Very low111 Ų111144.3 Ų144.378%0.77679%0.79SS**  trans-53.7112.9154.752.10000111.5
664N33.4Very low33.8Very low147 Ų147146.3 Ų146.379%0.78679%0.791SS**  trans-118.8108.4160.7-84.6-46.1000108.6T662T662-N664 PolarHBondContact O-N 3.3Å; T662-N664 VanDerWaalsContact O-N 3.16Å
665L32.6Very low34.1Very low153 Ų153144.1 Ų144.180%0.80178%0.784SS**  trans-62.6166168.1-7981.5000110.5
666S31.5Very low34.2Very low112 Ų112142.2 Ų142.278%0.78378%0.782SS**  trans72.780.7165.272.60000117.5
667R32.4Very low34.4Very low250 Ų250143.9 Ų143.994%0.94378%0.782SS**  trans-128.977.1147-91-171.9164.2-179.9-7.1111.2
668S32.2Very low34.3Very low76 Ų76142.7 Ų142.753%0.53178%0.782SS.*  trans-71.9136.2157.7-52.50000108.8L670S668-L670 PolarHBondContact O-N 3.46Å
669P33.1Very low34.6Very low128 Ų128142.6 Ų142.683%0.83178%0.78SS**THydrogen-bonded Turntrans-67.812.4-175.3-22.634.5000117
670L37Very low34.7Very low149 Ų149143.1 Ų143.178%0.7878%0.778SS**THydrogen-bonded Turntrans-100.65.2-167.1-87.2162.8000115.4S668S668-L670 PolarHBondContact O-N 3.46Å
671K40.1Very low34.6Very low186 Ų186145.5 Ų145.581%0.80978%0.782SS**SBendtrans-98.4-3.9-179.6-89.4-172.7173.2-177.40115.9
672E37.3Very low34.7Very low172 Ų172146.2 Ų146.280%0.80478%0.782SS**THydrogen-bonded Turntrans-86.2-8.9-175.1-152.3153.6-139.400113.9
673L36.9Very low34.8Very low168 Ų168148.2 Ų148.288%0.8879%0.788SS**THydrogen-bonded Turntrans-94.9-4.5-176.7-117.1133.9000115.3
674I42.1Very low34.9Very low140 Ų140150 Ų15072%0.71879%0.787SS**SBendtrans-106.9-18.4-175.8-67.4174.6000112.9
675N37.8Very low35Very low142 Ų142148.3 Ų148.376%0.75978%0.784SS**SBendtrans-937-174.9-92.423.7000115.9
676N34.5Very low35Very low145 Ų145147.9 Ų147.978%0.77578%0.783SS**  trans-102.224.5-176.4-84.8-4.2000115.1
677N35.3Very low35.2Very low148 Ų148149.3 Ų149.379%0.79178%0.782SS**SBendtrans-112.4114.8166.3-92.9-28.7000110.8I679N677-I679 PolarHBondContact O-N 2.97Å
678N30.5Very low35.5Very low158 Ų158143.4 Ų143.485%0.84577%0.769SS**  trans-50.6108.1170.9-88.7-28.1000111.3
679I37.5Very low35.5Very low159 Ų159146.5 Ų146.582%0.81578%0.778SS**  trans-120.3113.6153.3-62.4-178.4000105.9N677N677-I679 PolarHBondContact O-N 2.97Å
680N35.9Very low35.5Very low137 Ų137146.1 Ų146.173%0.73377%0.774SS**  trans-62.3135.1-174.8-63-57.2000111.4V682N680-V682 PolarHBondContact O-N 3.4Å; N680-V682 VanDerWaalsContact O-N 3.07Å
681D28.8Very low35.2Very low160 Ų160144.8 Ų144.886%0.85677%0.772SS**  trans-54.4108.5160.5-83.1-52.7000110.6
682V36.3Very low35Very low116 Ų116142.8 Ų142.870%0.70377%0.77SS**  trans-138.4100.6154.2-174.40000109.3N680 I684N680-V682 PolarHBondContact O-N 3.4Å; N680-V682 VanDerWaalsContact O-N 3.07Å; V682-I684 HydrophobicContact CG1-CG1 4.33Å; V682-I684 PolarHBondContact O-N 3.32Å
683N33.3Very low34.9Very low155 Ų155141.8 Ų141.883%0.82977%0.77SS**  trans-58.8118.4166.4-75.9-67.1000111.1
684I34.7Very low34.6Very low148 Ų148144.6 Ų144.676%0.75978%0.776SS**  trans-141.4120.8151.2-54.4-177.8000108.5V682V682-I684 HydrophobicContact CG1-CG1 4.33Å; V682-I684 PolarHBondContact O-N 3.32Å
685P36.2Very low34.2Very low112 Ų112143.1 Ų143.173%0.72778%0.778SS**  trans-85.9161.4179.834.9-35.3000113.5
686D31.8Very low34Very low145 Ų145143.4 Ų143.478%0.77578%0.779SS**  trans-21.1120.8173.5-52.7-42.5000117.9
687N36.1Very low34.1Very low141 Ų141143 Ų14375%0.75478%0.778SS**  168.7153.3100.3-92.1-64.5000114.2
688N38.1Very low34.1Very low127 Ų127144.5 Ų144.568%0.67978%0.78SS**  trans76.8106.6150.6-69.2-27.3000122.5
689I32.6Very low34.3Very low140 Ų140142 Ų14272%0.71878%0.775SS**  82.3143118.7-64.5165.7000119.4
690T33.6Very low34Very low120 Ų120139.8 Ų139.874%0.73677%0.772SS**  trans74.4101.8166.233.70000120.3
691T30.1Very low34Very low122 Ų122141.7 Ų141.775%0.74878%0.776SS**  trans-16.7128.7130.550.30000116.5
692N36.2Very low34.2Very low144 Ų144143.2 Ų143.277%0.7778%0.778SS**  trans-167104.8137.5-87-19.2000105.3
693D33.8Very low34.2Very low151 Ų151146.4 Ų146.481%0.80779%0.785SS**  96.7118.997.8-89.3-20.1000112.5S695D693-S695 PolarHBondContact O-N 2.98Å
694F31.3Very low34.4Very low226 Ų226147 Ų14799%0.99179%0.788SS**  trans-72.5113.4173.9-88.1-101.4000110.2
695S34.7Very low34.4Very low110 Ų110143.3 Ų143.377%0.76979%0.786SS**  trans-127.9107.6161.169.30000112D693D693-S695 PolarHBondContact O-N 2.98Å
696N31.8Very low34.3Very low147 Ų147145.5 Ų145.579%0.78679%0.79SS**  trans-4.4128.8148.3-102.4-11.1000116.2
697N36.6Very low34.3Very low138 Ų138144.6 Ų144.674%0.73879%0.79SS**  -175.9116.1109.6-88.9-23.9000114.2
698Q36.6Very low34.2Very low179 Ų179144.7 Ų144.784%0.83680%0.796SS**  trans48.2122.8133.3-72.6179.1-25.500123.4
699S33.9Very low33.9Very low105 Ų105145.3 Ų145.373%0.73480%0.804SS**  91.381.4122.9-163.90000121
700C31.8Very low34Very low112 Ų112144.9 Ų144.976%0.75781%0.808SS**  43.3133118.9-55.10000123
701H34.8Very low34.2Very low178 Ų178144.8 Ų144.882%0.82481%0.81SS**  trans78.6107.9148.8-75.9-54.9000120.9
702E33.9Very low34.4Very low192 Ų192144.6 Ų144.690%0.89781%0.81SS**  -138.4127.2119.6-101.9176.6-176.100108.7
703H37Very low34.1Very low182 Ų182144.2 Ų144.284%0.84381%0.813SS**  trans-155.1115.2170.9-124.5-69.7000108.7
704N37.6Very low34Very low169 Ų169142.5 Ų142.590%0.90481%0.813SS**  trans-103.1137170.7-79.8-35.4000109
705G34.1Very low34.2Very low69 Ų69136.8 Ų136.871%0.71180%0.801SS**  trans14766.5167.600000118.3
706I34.6Very low34Very low158 Ų158136.2 Ų136.281%0.8180%0.797SS**  trans6176144-50.7169.4000115.6
707T31.9Very low34.3Very low127 Ų127135.2 Ų135.278%0.77980%0.798SS**  65.2101.495.559.40000118.4
708T32.5Very low34.3Very low143 Ų143134.7 Ų134.788%0.87780%0.8SS**  trans-134.3142.6137.2-500000108.1
709T31.7Very low34.4Very low139 Ų139135.3 Ų135.385%0.85380%0.8SS**  trans-79131.9-159.243.50000115.9
710V36Very low34.5Very low132 Ų132135.6 Ų135.680%0.880%0.802SS**  trans-125.9134.3163-176.90000108
711P36.8Very low34.8Very low118 Ų118138.1 Ų138.177%0.76680%0.8SS**  trans-73.1150.3-174.428.8-35.4000113.4
712P34.1Very low34.8Very low118 Ų118134.7 Ų134.777%0.76680%0.796SS**  trans-91.8135.2-167.834.2-35.3000115.8
713V31.3Very low35Very low136 Ų136133.6 Ų133.682%0.82479%0.789SS**  trans45.7105.3135.7-168.20000119.6
714S30.9Very low35Very low115 Ų115131.8 Ų131.880%0.80478%0.784SS**  164137.8123.252.60000108.5
715S35.5Very low35Very low105 Ų105128.9 Ų128.973%0.73478%0.777SS**  cis-163.8148.342.1420000112.2
716S31.6Very low35.2Very low99 Ų99131.8 Ų131.869%0.69278%0.775SS**  trans17.4124.5156.155.20000122.3
717P37.7Very low35.3Very low125 Ų125130 Ų13081%0.81277%0.767SS**  trans-95.6117.1142.632.4-25.6000110.7K719P717-K719 PolarHBondContact O-N 3.41Å
718T35.7Very low35.7Very low128 Ų128131.1 Ų131.179%0.78577%0.768SS**  trans-63.8111179.5-14.10000110.9S720T718-S720 PolarHBondContact O-N 3.38Å
719K39Very low36Very low191 Ų191130 Ų13083%0.8376%0.757SS**  trans-70.794.5165.6-79.6-174.8177.5177.20109P717 K721P717-K719 PolarHBondContact O-N 3.41Å; K719-K721 PolarHBondContact O-N 2.77Å
720S36.6Very low36.3Very low111 Ų111130.5 Ų130.578%0.77675%0.754SS**  trans-64.274.2170.1-62.80000111.4T718 S722T718-S720 PolarHBondContact O-N 3.38Å; S720-S722 PolarHBondContact O-N 2.87Å
721K37.3Very low36.5Very low165 Ų165129 Ų12972%0.71775%0.749SS**  trans-73.181.5162.2-84.7-178.7164.1-1730108.1K719 F723K719-K721 PolarHBondContact O-N 2.77Å; K721-F723 HydrophobicContact CB-CD2 4.08Å; K721-F723 HydrophobicContact CB-CE2 4.38Å; K721-F723 HydrophobicContact CD-CD2 4.44Å; K721-F723 HydrophobicContact CD-CE2 4.02Å; K721-F723 HydrophobicContact CG-CE2 4.34Å; K721-F723 PolarHBondContact O-N 3.36Å
722S34.2Very low36.6Very low106 Ų106131.1 Ų131.174%0.74175%0.754SS**  trans-70.871.3164.853.40000109.8S720 I724S720-S722 PolarHBondContact O-N 2.87Å; S722-I724 VanDerWaalsContact C-N 3.32Å; S722-I724 PolarHBondContact O-N 3.18Å
723F38Very low37.2Very low169 Ų169132.2 Ų132.274%0.74175%0.753SS**  trans-65.4100.4158.6-86.9-80.9000107.1K721 S725K721-F723 HydrophobicContact CB-CD2 4.08Å; K721-F723 HydrophobicContact CB-CE2 4.38Å; K721-F723 HydrophobicContact CD-CD2 4.44Å; K721-F723 HydrophobicContact CD-CE2 4.02Å; K721-F723 HydrophobicContact CG-CE2 4.34Å; K721-F723 PolarHBondContact O-N 3.36Å; F723-S725 PolarHBondContact O-N 2.89Å
724I37.4Very low37.9Very low145 Ų145133.7 Ų133.774%0.74475%0.754SS**  trans-65.690.7164.8-55.9178.8000106S722 I726S722-I724 VanDerWaalsContact C-N 3.32Å; S722-I724 PolarHBondContact O-N 3.18Å; I724-I726 HydrophobicContact CG2-CD1 4.4Å; I724-I726 HydrophobicContact CG2-CG1 3.7Å; I724-I726 PolarHBondContact O-N 3.3Å
725S37Very low38.9Very low108 Ų108134.5 Ų134.576%0.75575%0.745SS**  trans-72.286.7170.7-167.70000107.5F723 N727F723-S725 PolarHBondContact O-N 2.89Å; S725-N727 PolarHBondContact O-N 2.95Å
726I39.1Very low40Very low130 Ų130132.6 Ų132.667%0.66773%0.727SS**  trans-68.692.2170-56.8-176.1000106.6I724 N728I724-I726 HydrophobicContact CG2-CD1 4.4Å; I724-I726 HydrophobicContact CG2-CG1 3.7Å; I724-I726 PolarHBondContact O-N 3.3Å; I726-N728 PolarHBondContact O-N 3.27Å
727N37.4Very low41.8Very low119 Ų119132.1 Ų132.164%0.63672%0.721SS**  trans-68.677.8174.2-179.222.4000109.3S725 N729S725-N727 PolarHBondContact O-N 2.95Å; N727-N729 PolarHBondContact O-N 3.48Å; N727-N729 PolarHBondContact OD1-ND2 3.32Å
728N38.9Very low43.5Very low152 Ų152132.7 Ų132.781%0.81371%0.713SS**  trans-74.771.3173.6-108.97.1000110I726I726-N728 PolarHBondContact O-N 3.27Å
729N39.1Very low45.4Very low118 Ų118131.2 Ų131.263%0.63170%0.7SS**  trans-115.6126.5164.7-83.4-56.8000109.2N727N727-N729 PolarHBondContact O-N 3.48Å; N727-N729 PolarHBondContact OD1-ND2 3.32Å
730N39.1Very low47.3Very low150 Ų150125.3 Ų125.380%0.80268%0.677SS**SBendtrans89.1109.4172.8-55.6-25.6000118.7
731S40Very low49.4Very low100 Ų100123.8 Ų123.870%0.69966%0.658SS**  trans67.6112.9139.360.80000120.5
732N39.4Very low51.5Low163 Ų163121.6 Ų121.687%0.87265%0.652SS**  trans50.769.9138.1-62.3-3.3000117.3
733I45.4Very low53.9Low142 Ų142119.6 Ų119.673%0.72864%0.638SS**  trans-116.7117.4146.2-56.6-177.3000107.4E735I733-E735 HydrophobicContact CB-CG 4.47Å; I733-E735 HydrophobicContact CG2-CG 3.8Å; I733-E735 PolarHBondContact O-N 3.34Å
734I46.6Very low56.2Low166 Ų166116 Ų11685%0.85162%0.622SS**  trans-74.475.4168.2-58.1171.8000105.9N736I734-N736 PolarHBondContact O-N 2.95Å
735E52.8Low58.6Low132 Ų132112.8 Ų112.862%0.61760%0.604SS**  trans-65.5119.8166-72-168.6154.400107.2I733 P737 I740I733-E735 HydrophobicContact CB-CG 4.47Å; I733-E735 HydrophobicContact CG2-CG 3.8Å; I733-E735 PolarHBondContact O-N 3.34Å; E735-P737 WeakPolarHBondContact O-CD 3.26Å; E735-I740 HydrophobicContact CB-CD1 3.88Å; E735-I740 HydrophobicContact CB-CG1 4.33Å
736N58.6Low61.2Low65 Ų65112.2 Ų112.235%0.34859%0.591SS.*  trans-51.3118-173.5-177.19.9000109.1I734 E738 N739 I740I734-N736 PolarHBondContact O-N 2.95Å; N736-E738 PolarHBondContact ND2-OE2 2.96Å; N736-E738 PolarHBondContact O-N 3.19Å; N736-E738 PolarHBondContact OD1-N 3.49Å; N736-N739 HydrophobicContact CB-CB 4.21Å; N736-N739 WeakPolarHBondContact O-CA 3.47Å; N736-N739 WeakPolarHBondContact O-CB 3.15Å; N736-N739 PolarHBondContact O-N 3.27Å; N736-I740 PolarHBondContact O-N 3.45Å
737P67.9Low63.7Low90 Ų90110.9 Ų110.958%0.58459%0.585SS**Hα-helixtrans-58.3-26.5-176.721.3-33.4000112.2E735 I740 E741E735-P737 WeakPolarHBondContact O-CD 3.26Å; P737-I740 PolarHBondContact O-N 2.91Å; P737-E741 PolarHBondContact O-N 3.27Å
738E73.7Confident66.3Low137 Ų137111 Ų11164%0.6458%0.576SS**Hα-helixtrans-65.9-40171.7-58.2176.7147.700112.7N736 E741 M742N736-E738 PolarHBondContact ND2-OE2 2.96Å; N736-E738 PolarHBondContact O-N 3.19Å; N736-E738 PolarHBondContact OD1-N 3.49Å; E738-E741 PolarHBondContact O-N 2.86Å; E738-M742 WeakPolarHBondContact O-CB 3.32Å; E738-M742 PolarHBondContact O-N 3.17Å
739N76.3Confident68.9Low96 Ų96108 Ų10851%0.51356%0.561SS.*Hα-helixtrans-66.8-38.1175-84.74.1000111.5N736 S743N736-N739 HydrophobicContact CB-CB 4.21Å; N736-N739 WeakPolarHBondContact O-CA 3.47Å; N736-N739 WeakPolarHBondContact O-CB 3.15Å; N736-N739 PolarHBondContact O-N 3.27Å; N739-S743 VanDerWaalsContact O-CB 3.27Å; N739-S743 WeakPolarHBondContact O-CB 3.41Å; N739-S743 PolarHBondContact O-N 3.49Å; N739-S743 PolarHBondContact O-OG 3.02Å
740I79.2Confident71.5Confident67 Ų67107 Ų10734%0.34455%0.552SS.*Hα-helixtrans-66.4-45.5176.8-64.7176.5000110.2E735 N736 P737 S743 K744E735-I740 HydrophobicContact CB-CD1 3.88Å; E735-I740 HydrophobicContact CB-CG1 4.33Å; N736-I740 PolarHBondContact O-N 3.45Å; P737-I740 PolarHBondContact O-N 2.91Å; I740-S743 PolarHBondContact O-N 2.88Å; I740-K744 HydrophobicContact CG2-CD 4.22Å; I740-K744 WeakPolarHBondContact O-CG 3.44Å; I740-K744 PolarHBondContact O-N 3.1Å
741E79.7Confident74Confident80 Ų80105.4 Ų105.437%0.37454%0.542SS..Hα-helixtrans-72.9-33.4179.7-15859.6-145.200112.6P737 E738 K744 Q745 R748P737-E741 PolarHBondContact O-N 3.27Å; E738-E741 PolarHBondContact O-N 2.86Å; E741-K744 PolarHBondContact O-N 3.49Å; E741-K744 WeakPolarHBondContact OE2-CD 3.36Å; E741-K744 IonicContact OE2-NZ 2.79Å; E741-K744 PolarHBondContact OE2-NZ 3Å; E741-Q745 WeakPolarHBondContact O-CB 3.23Å; E741-Q745 PolarHBondContact O-N 2.66Å; E741-R748 IonicContact OE1-CZ 2.93Å; E741-R748 IonicContact OE1-NH1 3.43Å; E741-R748 PolarHBondContact OE1-NH1 2.87Å; E741-R748 IonicContact OE1-NH2 3.99Å; E741-R748 PolarHBondContact OE1-NH2 3.16Å
742M82Confident76.5Confident118 Ų118102.9 Ų102.958%0.58153%0.527SS*.Hα-helixtrans-63.2-44.3170.3-171.9-179.4-61.900111.4E738 K744 Q745 I746E738-M742 WeakPolarHBondContact O-CB 3.32Å; E738-M742 PolarHBondContact O-N 3.17Å; M742-K744 PolarHBondContact O-N 3.45Å; M742-Q745 PolarHBondContact O-N 3.48Å; M742-Q745 VanDerWaalsContact O-N 3.17Å; M742-I746 HydrophobicContact CG-CD1 4.16Å; M742-I746 WeakPolarHBondContact O-CG1 3.43Å; M742-I746 PolarHBondContact O-N 3.46Å
743S83.8Confident79.1Confident65 Ų65101.4 Ų101.446%0.45551%0.513SS..Hα-helixtrans-63.8-40.7176-58.40000112N739 I740 Q745 I746 L747N739-S743 VanDerWaalsContact O-CB 3.27Å; N739-S743 WeakPolarHBondContact O-CB 3.41Å; N739-S743 PolarHBondContact O-N 3.49Å; N739-S743 PolarHBondContact O-OG 3.02Å; I740-S743 PolarHBondContact O-N 2.88Å; S743-Q745 VanDerWaalsContact C-N 3.34Å; S743-I746 PolarHBondContact O-N 2.84Å; S743-L747 WeakPolarHBondContact O-CB 3.29Å; S743-L747 VanDerWaalsContact O-CG 3.29Å; S743-L747 WeakPolarHBondContact O-CG 3.44Å; S743-L747 PolarHBondContact O-N 3.29Å
744K86.6Confident81.5Confident92 Ų9299.3 Ų99.340%0.450%0.503SS..Hα-helixtrans-62.6-39.1171.9-75.1162.2175.2166.30112.1I740 E741 M742 L747 R748I740-K744 HydrophobicContact CG2-CD 4.22Å; I740-K744 WeakPolarHBondContact O-CG 3.44Å; I740-K744 PolarHBondContact O-N 3.1Å; E741-K744 PolarHBondContact O-N 3.49Å; E741-K744 WeakPolarHBondContact OE2-CD 3.36Å; E741-K744 IonicContact OE2-NZ 2.79Å; E741-K744 PolarHBondContact OE2-NZ 3Å; M742-K744 PolarHBondContact O-N 3.45Å; K744-L747 PolarHBondContact O-N 3.47Å; K744-R748 VanDerWaalsContact O-CG 3.3Å; K744-R748 WeakPolarHBondContact O-CG 3.35Å; K744-R748 PolarHBondContact O-N 3Å
745Q88.6Confident83.8Confident79 Ų7998 Ų9837%0.36949%0.491SS..Hα-helixtrans-68.1-44.8179-169.55639.200111.2E741 M742 S743 L747 R748 D749E741-Q745 WeakPolarHBondContact O-CB 3.23Å; E741-Q745 PolarHBondContact O-N 2.66Å; M742-Q745 PolarHBondContact O-N 3.48Å; M742-Q745 VanDerWaalsContact O-N 3.17Å; S743-Q745 VanDerWaalsContact C-N 3.34Å; Q745-L747 VanDerWaalsContact C-N 3.29Å; Q745-L747 PolarHBondContact O-N 2.88Å; Q745-R748 WeakPolarHBondContact O-CB 3.45Å; Q745-R748 PolarHBondContact O-N 3.39Å; Q745-R748 VanDerWaalsContact O-N 3.07Å; Q745-R748 VanDerWaalsContact OE1-NH1 3.11Å; Q745-D749 PolarHBondContact NE2-OD1 2.82Å; Q745-D749 PolarHBondContact O-N 3.49Å
746I90.8Very high85.7Confident95 Ų9597.1 Ų97.149%0.48749%0.491SS..Hα-helixtrans-55.1-45.6172.3-67.7164.1000110.6M742 S743 D749 E750M742-I746 HydrophobicContact CG-CD1 4.16Å; M742-I746 WeakPolarHBondContact O-CG1 3.43Å; M742-I746 PolarHBondContact O-N 3.46Å; S743-I746 PolarHBondContact O-N 2.84Å; I746-D749 PolarHBondContact O-N 3.43Å; I746-E750 WeakPolarHBondContact O-CB 3.26Å; I746-E750 PolarHBondContact O-N 3.38Å
747L92.1Very high87.4Confident103 Ų10397.9 Ų97.954%0.53949%0.492SS..Hα-helixtrans-65.5-37.1176.2-72.3170.3000113.1S743 K744 Q745 I751S743-L747 WeakPolarHBondContact O-CB 3.29Å; S743-L747 VanDerWaalsContact O-CG 3.29Å; S743-L747 WeakPolarHBondContact O-CG 3.44Å; S743-L747 PolarHBondContact O-N 3.29Å; K744-L747 PolarHBondContact O-N 3.47Å; Q745-L747 VanDerWaalsContact C-N 3.29Å; Q745-L747 PolarHBondContact O-N 2.88Å; L747-I751 WeakPolarHBondContact O-CB 3.49Å; L747-I751 WeakPolarHBondContact O-CD1 3.46Å; L747-I751 WeakPolarHBondContact O-CG1 3.28Å; L747-I751 PolarHBondContact O-N 3.15Å
748R92.2Very high88.6Confident120 Ų12096.3 Ų96.345%0.45349%0.487SS..Hα-helixtrans-64.7-42.9173.8-74.1172.7-168.2133.84.7111.2E741 K744 Q745 I751 A752E741-R748 IonicContact OE1-CZ 2.93Å; E741-R748 IonicContact OE1-NH1 3.43Å; E741-R748 PolarHBondContact OE1-NH1 2.87Å; E741-R748 IonicContact OE1-NH2 3.99Å; E741-R748 PolarHBondContact OE1-NH2 3.16Å; K744-R748 VanDerWaalsContact O-CG 3.3Å; K744-R748 WeakPolarHBondContact O-CG 3.35Å; K744-R748 PolarHBondContact O-N 3Å; Q745-R748 WeakPolarHBondContact O-CB 3.45Å; Q745-R748 PolarHBondContact O-N 3.39Å; Q745-R748 VanDerWaalsContact O-N 3.07Å; Q745-R748 VanDerWaalsContact OE1-NH1 3.11Å; R748-I751 PolarHBondContact O-N 3.42Å; R748-A752 WeakPolarHBondContact O-CB 3.34Å; R748-A752 PolarHBondContact O-N 2.87Å
749D92.7Very high89.6Confident91 Ų9194 Ų9449%0.48748%0.478SS..Hα-helixtrans-67.8-38.5179.6-63-21.5000110.9Q745 I746 A752 K753Q745-D749 PolarHBondContact NE2-OD1 2.82Å; Q745-D749 PolarHBondContact O-N 3.49Å; I746-D749 PolarHBondContact O-N 3.43Å; D749-A752 PolarHBondContact O-N 2.9Å; D749-K753 WeakPolarHBondContact O-CB 3.29Å; D749-K753 PolarHBondContact O-N 2.97Å
750E93.2Very high90.4Very high97 Ų9794.4 Ų94.445%0.45348%0.48SS..Hα-helixtrans-70.2-39.4174.2-173.9144.9-138.500112.5I746 A752 K753 L754I746-E750 WeakPolarHBondContact O-CB 3.26Å; I746-E750 PolarHBondContact O-N 3.38Å; E750-A752 VanDerWaalsContact C-N 3.32Å; E750-A752 PolarHBondContact O-N 3.49Å; E750-K753 PolarHBondContact O-N 2.93Å; E750-L754 HydrophobicContact CG-CD1 4.23Å; E750-L754 WeakPolarHBondContact O-CB 3.35Å; E750-L754 VanDerWaalsContact O-CG 3.32Å; E750-L754 WeakPolarHBondContact O-CG 3.3Å; E750-L754 PolarHBondContact O-N 2.92Å
751I92.7Very high91.2Very high115 Ų11598.9 Ų98.959%0.5949%0.493SS*.Hα-helixtrans-61.6-40.6170.5-72.3164.2000110.9L747 R748 L754 K755L747-I751 WeakPolarHBondContact O-CB 3.49Å; L747-I751 WeakPolarHBondContact O-CD1 3.46Å; L747-I751 WeakPolarHBondContact O-CG1 3.28Å; L747-I751 PolarHBondContact O-N 3.15Å; R748-I751 PolarHBondContact O-N 3.42Å; I751-L754 PolarHBondContact O-N 3.14Å; I751-K755 VanDerWaalsContact O-CB 3.31Å; I751-K755 WeakPolarHBondContact O-CB 3.37Å; I751-K755 PolarHBondContact O-N 3.39Å
752A92.8Very high91.9Very high47 Ų47101.4 Ų101.439%0.38850%0.503SS..Hα-helixtrans-65.4-41.5176.100000111.8R748 D749 E750 K755 N756R748-A752 WeakPolarHBondContact O-CB 3.34Å; R748-A752 PolarHBondContact O-N 2.87Å; D749-A752 PolarHBondContact O-N 2.9Å; E750-A752 VanDerWaalsContact C-N 3.32Å; E750-A752 PolarHBondContact O-N 3.49Å; A752-K755 PolarHBondContact O-N 2.84Å; A752-N756 VanDerWaalsContact O-CG 3.26Å; A752-N756 PolarHBondContact O-N 3.46Å; A752-N756 PolarHBondContact O-ND2 3.35Å
753K94.4Very high92.5Very high132 Ų13298.5 Ų98.557%0.57449%0.494SS*.Hα-helixtrans-60.7-50.8173.5-177.8-172.3171.1-164.60111.7D749 E750 K755 N756 E757D749-K753 WeakPolarHBondContact O-CB 3.29Å; D749-K753 PolarHBondContact O-N 2.97Å; E750-K753 PolarHBondContact O-N 2.93Å; K753-K755 VanDerWaalsContact C-N 3.27Å; K753-K755 PolarHBondContact O-N 3.38Å; K753-N756 PolarHBondContact O-N 3.33Å; K753-E757 WeakPolarHBondContact O-CB 3.3Å; K753-E757 PolarHBondContact O-N 3.46Å
754L94.3Very high93Very high99 Ų9998.7 Ų98.752%0.51849%0.493SS..Hα-helixtrans-62.2-34.1178.1-72.8170.8000112.3E750 I751 E757 A758E750-L754 HydrophobicContact CG-CD1 4.23Å; E750-L754 WeakPolarHBondContact O-CB 3.35Å; E750-L754 VanDerWaalsContact O-CG 3.32Å; E750-L754 WeakPolarHBondContact O-CG 3.3Å; E750-L754 PolarHBondContact O-N 2.92Å; I751-L754 PolarHBondContact O-N 3.14Å; L754-E757 PolarHBondContact O-N 3.03Å; L754-A758 WeakPolarHBondContact O-CB 3.49Å; L754-A758 PolarHBondContact O-N 3.34Å
755K94.6Very high93.4Very high137 Ų13799.8 Ų99.860%0.59650%0.502SS*.Hα-helixtrans-67.8-46.6174.3-173.1178.8177.8-175.40111.9I751 A752 K753 E757 A758 D759I751-K755 VanDerWaalsContact O-CB 3.31Å; I751-K755 WeakPolarHBondContact O-CB 3.37Å; I751-K755 PolarHBondContact O-N 3.39Å; A752-K755 PolarHBondContact O-N 2.84Å; K753-K755 VanDerWaalsContact C-N 3.27Å; K753-K755 PolarHBondContact O-N 3.38Å; K755-E757 VanDerWaalsContact C-N 3.26Å; K755-E757 PolarHBondContact O-N 3.38Å; K755-A758 PolarHBondContact O-N 3.39Å; K755-D759 PolarHBondContact O-N 2.97Å
756N93.6Very high93.7Very high114 Ų114102.4 Ų102.461%0.6151%0.512SS*.Hα-helixtrans-61.1-37.6175.1-68.8-21.4000111.6A752 K753 D759 L760A752-N756 VanDerWaalsContact O-CG 3.26Å; A752-N756 PolarHBondContact O-N 3.46Å; A752-N756 PolarHBondContact O-ND2 3.35Å; K753-N756 PolarHBondContact O-N 3.33Å; N756-D759 PolarHBondContact O-N 2.95Å; N756-L760 WeakPolarHBondContact O-CB 3.44Å; N756-L760 PolarHBondContact O-N 2.67Å
757E94Very high93.8Very high82 Ų82102.3 Ų102.338%0.38351%0.513SS..Hα-helixtrans-66.8-42.7174.2-174175.1165.700111.8K753 L754 K755 D759 L760 W761K753-E757 WeakPolarHBondContact O-CB 3.3Å; K753-E757 PolarHBondContact O-N 3.46Å; L754-E757 PolarHBondContact O-N 3.03Å; K755-E757 VanDerWaalsContact C-N 3.26Å; K755-E757 PolarHBondContact O-N 3.38Å; E757-D759 PolarHBondContact O-N 3.05Å; E757-L760 WeakPolarHBondContact O-CB 3.42Å; E757-L760 PolarHBondContact O-N 2.91Å; E757-W761 PolarHBondContact O-N 3.38Å; E757-W761 PolarHBondContact OE1-NE1 3.34Å
758A93.6Very high93.9Very high56 Ų56104.7 Ų104.746%0.46352%0.516SS..Hα-helixtrans-63-38.7174.600000112.8L754 K755 W761 K762L754-A758 WeakPolarHBondContact O-CB 3.49Å; L754-A758 PolarHBondContact O-N 3.34Å; K755-A758 PolarHBondContact O-N 3.39Å; A758-W761 PolarHBondContact O-N 2.95Å; A758-K762 WeakPolarHBondContact O-CB 3.39Å; A758-K762 PolarHBondContact O-N 3.2Å
759D93.7Very high94Very high88 Ų88104.5 Ų104.547%0.47152%0.52SS..Hα-helixtrans-67.9-35.1174.1-76.1-36.8000111.7K755 N756 E757 K762 S763K755-D759 PolarHBondContact O-N 2.97Å; N756-D759 PolarHBondContact O-N 2.95Å; E757-D759 PolarHBondContact O-N 3.05Å; D759-K762 PolarHBondContact O-N 3.02Å; D759-S763 PolarHBondContact O-N 3.39Å
760L94.4Very high94Very high106 Ų106103.6 Ų103.656%0.55552%0.521SS*.Hα-helixtrans-63.8-50.4170.917864.3000111.7N756 E757 K762 S763 V764N756-L760 WeakPolarHBondContact O-CB 3.44Å; N756-L760 PolarHBondContact O-N 2.67Å; E757-L760 WeakPolarHBondContact O-CB 3.42Å; E757-L760 PolarHBondContact O-N 2.91Å; L760-K762 PolarHBondContact O-N 2.9Å; L760-S763 WeakPolarHBondContact O-CA 3.35Å; L760-S763 WeakPolarHBondContact O-CB 3.33Å; L760-S763 PolarHBondContact O-N 3.3Å; L760-V764 HydrophobicContact CD1-CG2 4.47Å; L760-V764 WeakPolarHBondContact O-CG2 3.46Å; L760-V764 PolarHBondContact O-N 3.07Å
761W94.9Very high94Very high160 Ų160103.5 Ų103.561%0.60653%0.527SS*.Hα-helixtrans-58-35.5175.7-74.8117000112.1E757 A758 V764 L765E757-W761 PolarHBondContact O-N 3.38Å; E757-W761 PolarHBondContact OE1-NE1 3.34Å; A758-W761 PolarHBondContact O-N 2.95Å; W761-V764 PolarHBondContact O-N 3.32Å; W761-L765 WeakPolarHBondContact O-CB 3.42Å; W761-L765 PolarHBondContact O-N 3.03Å
762K94.9Very high94.1Very high133 Ų133102 Ų10258%0.57852%0.517SS*.Hα-helixtrans-69.3-30174.8-169.6175.6-176.3177.60113.2A758 D759 L760 K766A758-K762 WeakPolarHBondContact O-CB 3.39Å; A758-K762 PolarHBondContact O-N 3.2Å; D759-K762 PolarHBondContact O-N 3.02Å; L760-K762 PolarHBondContact O-N 2.9Å; K762-K766 WeakPolarHBondContact O-CG 3.43Å; K762-K766 PolarHBondContact O-N 3.42Å
763S93.8Very high94.1Very high58 Ų58103.5 Ų103.541%0.40652%0.519SS..Hα-helixtrans-70.3-51.5169.2-162.50000110.7D759 L760 L765 K766 D767D759-S763 PolarHBondContact O-N 3.39Å; L760-S763 WeakPolarHBondContact O-CA 3.35Å; L760-S763 WeakPolarHBondContact O-CB 3.33Å; L760-S763 PolarHBondContact O-N 3.3Å; S763-L765 PolarHBondContact O-N 2.9Å; S763-K766 WeakPolarHBondContact O-CA 3.32Å; S763-K766 WeakPolarHBondContact O-CB 3.31Å; S763-K766 PolarHBondContact O-N 2.84Å; S763-D767 PolarHBondContact O-N 3.44Å
764V95Very high94.1Very high69 Ų69100.8 Ų100.842%0.41851%0.513SS..Hα-helixtrans-56.4-39179.5173.50000111.7L760 W761 D767 Y768L760-V764 HydrophobicContact CD1-CG2 4.47Å; L760-V764 WeakPolarHBondContact O-CG2 3.46Å; L760-V764 PolarHBondContact O-N 3.07Å; W761-V764 PolarHBondContact O-N 3.32Å; V764-D767 PolarHBondContact O-N 3.31Å; V764-Y768 WeakPolarHBondContact O-CB 3.31Å; V764-Y768 PolarHBondContact O-N 2.82Å
765L94.7Very high94Very high115 Ų11598.1 Ų98.160%0.60251%0.505SS*.Hα-helixtrans-65.8-36.3176.1-175.462000112.8W761 S763 Q769W761-L765 WeakPolarHBondContact O-CB 3.42Å; W761-L765 PolarHBondContact O-N 3.03Å; S763-L765 PolarHBondContact O-N 2.9Å; L765-Q769 WeakPolarHBondContact O-CB 3.45Å; L765-Q769 PolarHBondContact O-N 3.43Å
766K94.6Very high93.9Very high133 Ų13396.4 Ų96.458%0.57850%0.5SS*.Hα-helixtrans-68.4-42.6173.5-74.8178.4172.8-171.10111.7K762 S763 Y768 Q769 S770K762-K766 WeakPolarHBondContact O-CG 3.43Å; K762-K766 PolarHBondContact O-N 3.42Å; S763-K766 WeakPolarHBondContact O-CA 3.32Å; S763-K766 WeakPolarHBondContact O-CB 3.31Å; S763-K766 PolarHBondContact O-N 2.84Å; K766-Y768 VanDerWaalsContact C-N 3.33Å; K766-Q769 PolarHBondContact O-N 3.48Å; K766-S770 WeakPolarHBondContact O-CB 3.33Å; K766-S770 PolarHBondContact O-N 3.07Å
767D93.3Very high93.8Very high93 Ų9394.7 Ų94.750%0.49749%0.493SS..Hα-helixtrans-64.9-40.7178.7-60.7-32.4000110.5S763 V764 S770 T771S763-D767 PolarHBondContact O-N 3.44Å; V764-D767 PolarHBondContact O-N 3.31Å; D767-S770 PolarHBondContact O-N 2.96Å; D767-T771 WeakPolarHBondContact O-CB 3.29Å; D767-T771 PolarHBondContact O-N 3.06Å; D767-T771 PolarHBondContact O-OG1 3.41Å
768Y94Very high93.7Very high154 Ų15495.1 Ų95.160%0.60450%0.497SS*.Hα-helixtrans-60.8-48.2171.1179.5-95.4000112V764 K766 S770 T771 H772V764-Y768 WeakPolarHBondContact O-CB 3.31Å; V764-Y768 PolarHBondContact O-N 2.82Å; K766-Y768 VanDerWaalsContact C-N 3.33Å; Y768-S770 PolarHBondContact O-N 2.91Å; Y768-T771 PolarHBondContact O-N 3.07Å; Y768-H772 WeakPolarHBondContact O-CB 3.36Å; Y768-H772 PolarHBondContact O-N 3.28Å
769Q94.2Very high93.6Very high115 Ų11597 Ų9754%0.53750%0.498SS..Hα-helixtrans-62.5-41.1178.6-170.817612.900111.9L765 K766 T771 H772 N773L765-Q769 WeakPolarHBondContact O-CB 3.45Å; L765-Q769 PolarHBondContact O-N 3.43Å; K766-Q769 PolarHBondContact O-N 3.48Å; Q769-T771 VanDerWaalsContact C-N 3.35Å; Q769-H772 PolarHBondContact O-N 3.24Å; Q769-N773 PolarHBondContact O-N 3.1Å; Q769-N773 PolarHBondContact O-OD1 3.39Å
770S93.5Very high93.5Very high72 Ų7296.1 Ų96.150%0.50350%0.499SS..Hα-helixtrans-63.5-40.8174.4-168.30000111.9K766 D767 Y768 T774K766-S770 WeakPolarHBondContact O-CB 3.33Å; K766-S770 PolarHBondContact O-N 3.07Å; D767-S770 PolarHBondContact O-N 2.96Å; Y768-S770 PolarHBondContact O-N 2.91Å; S770-T774 WeakPolarHBondContact O-CB 3.49Å; S770-T774 PolarHBondContact O-N 2.83Å; S770-T774 VanDerWaalsContact O-N 3.08Å; S770-T774 PolarHBondContact O-OG1 3.47Å
771T93.4Very high93.4Very high96 Ų9696.9 Ų96.959%0.58950%0.5SS*.Hα-helixtrans-67.2-41.3177.9-55.40000111.3D767 Y768 Q769 T774 A775D767-T771 WeakPolarHBondContact O-CB 3.29Å; D767-T771 PolarHBondContact O-N 3.06Å; D767-T771 PolarHBondContact O-OG1 3.41Å; Y768-T771 PolarHBondContact O-N 3.07Å; Q769-T771 VanDerWaalsContact C-N 3.35Å; T771-T774 WeakPolarHBondContact O-CB 3.45Å; T771-T774 PolarHBondContact O-N 2.98Å; T771-A775 PolarHBondContact O-N 3.06Å
772H93.5Very high93.1Very high83 Ų8392.4 Ų92.438%0.38449%0.492SS..Hα-helixtrans-62.6-50.4176.7179.339.3000111.8Y768 Q769 T774 A775 E776Y768-H772 WeakPolarHBondContact O-CB 3.36Å; Y768-H772 PolarHBondContact O-N 3.28Å; Q769-H772 PolarHBondContact O-N 3.24Å; H772-T774 PolarHBondContact O-N 3.04Å; H772-A775 WeakPolarHBondContact O-CB 3.17Å; H772-A775 PolarHBondContact O-N 2.93Å; H772-E776 IonicContact CE1-OE1 2.87Å; H772-E776 PolarHBondContact CE1-OE1 2.96Å; H772-E776 IonicContact NE2-OE1 2.89Å; H772-E776 PolarHBondContact O-N 2.86Å
773N93.6Very high93Very high79 Ų7991.4 Ų91.442%0.42249%0.49SS..Hα-helixtrans-58.6-36.7175.7-65.65.6000112.1Q769 T777Q769-N773 PolarHBondContact O-N 3.1Å; Q769-N773 PolarHBondContact O-OD1 3.39Å; N773-T777 PolarHBondContact O-N 3.44Å; N773-T777 PolarHBondContact O-OG1 2.92Å
774T93.9Very high92.9Very high74 Ų7494 Ų9445%0.45450%0.499SS..Hα-helixtrans-66.8-42.3175.7-54.80000111.1S770 T771 H772 T777 I778S770-T774 WeakPolarHBondContact O-CB 3.49Å; S770-T774 PolarHBondContact O-N 2.83Å; S770-T774 VanDerWaalsContact O-N 3.08Å; S770-T774 PolarHBondContact O-OG1 3.47Å; T771-T774 WeakPolarHBondContact O-CB 3.45Å; T771-T774 PolarHBondContact O-N 2.98Å; H772-T774 PolarHBondContact O-N 3.04Å; T774-T777 WeakPolarHBondContact O-CB 3.29Å; T774-T777 PolarHBondContact O-N 3.08Å; T774-I778 HydrophobicContact CG2-CD1 4.14Å; T774-I778 WeakPolarHBondContact O-CG1 3.36Å; T774-I778 PolarHBondContact O-N 3.35Å
775A92.3Very high92.8Very high43 Ų4395.6 Ų95.636%0.35551%0.508SS..Hα-helixtrans-65.5-41.3176.500000112.5T771 H772 T777 I778 I779T771-A775 PolarHBondContact O-N 3.06Å; H772-A775 WeakPolarHBondContact O-CB 3.17Å; H772-A775 PolarHBondContact O-N 2.93Å; A775-T777 VanDerWaalsContact C-N 3.31Å; A775-T777 PolarHBondContact O-N 3.22Å; A775-I778 PolarHBondContact O-N 3.37Å; A775-I779 VanDerWaalsContact O-CG1 3.28Å; A775-I779 WeakPolarHBondContact O-CG1 3.37Å; A775-I779 PolarHBondContact O-N 3.39Å
776E91.8Very high92.5Very high102 Ų10296.6 Ų96.648%0.47751%0.51SS..Hα-helixtrans-62.3-37.9173.8-70-168.2146.300112.2H772 I779 S780H772-E776 IonicContact CE1-OE1 2.87Å; H772-E776 PolarHBondContact CE1-OE1 2.96Å; H772-E776 IonicContact NE2-OE1 2.89Å; H772-E776 PolarHBondContact O-N 2.86Å; E776-I779 PolarHBondContact O-N 3.15Å; E776-S780 WeakPolarHBondContact O-CB 3.3Å; E776-S780 PolarHBondContact O-N 3.29Å; E776-S780 PolarHBondContact O-OG 3.42Å
777T92.3Very high92.4Very high77 Ų7794.1 Ų94.147%0.47251%0.506SS..Hα-helixtrans-62.3-49.2174.7-55.10000110.7N773 T774 A775 I779 S780 E781N773-T777 PolarHBondContact O-N 3.44Å; N773-T777 PolarHBondContact O-OG1 2.92Å; T774-T777 WeakPolarHBondContact O-CB 3.29Å; T774-T777 PolarHBondContact O-N 3.08Å; A775-T777 VanDerWaalsContact C-N 3.31Å; A775-T777 PolarHBondContact O-N 3.22Å; T777-I779 PolarHBondContact O-N 3.02Å; T777-S780 WeakPolarHBondContact O-CB 3.4Å; T777-S780 PolarHBondContact O-N 2.83Å; T777-E781 WeakPolarHBondContact O-CG 3.36Å; T777-E781 PolarHBondContact O-N 3.23Å
778I92.5Very high92.4Very high92 Ų9292.6 Ų92.647%0.47250%0.5SS..Hα-helixtrans-61.9-41.9178.2-67.3165.5000111.5T774 A775 S780 E781 C782T774-I778 HydrophobicContact CG2-CD1 4.14Å; T774-I778 WeakPolarHBondContact O-CG1 3.36Å; T774-I778 PolarHBondContact O-N 3.35Å; A775-I778 PolarHBondContact O-N 3.37Å; I778-S780 VanDerWaalsContact C-N 3.32Å; I778-S780 PolarHBondContact O-N 3.23Å; I778-E781 PolarHBondContact O-N 2.73Å; I778-C782 PolarHBondContact O-N 3.44Å; I778-C782 PolarHBondContact O-SG 3.13Å; I778-C782 VanDerWaalsContact O-SG 3.35Å
779I91.6Very high92.3Very high94 Ų9491.5 Ų91.548%0.48250%0.498SS..Hα-helixtrans-61.9-42.7176.3-70.3165.1000110.6A775 E776 T777 C782 Q783A775-I779 VanDerWaalsContact O-CG1 3.28Å; A775-I779 WeakPolarHBondContact O-CG1 3.37Å; A775-I779 PolarHBondContact O-N 3.39Å; E776-I779 PolarHBondContact O-N 3.15Å; T777-I779 PolarHBondContact O-N 3.02Å; I779-C782 PolarHBondContact O-N 2.82Å; I779-Q783 WeakPolarHBondContact O-CB 3.34Å; I779-Q783 WeakPolarHBondContact O-CG 3.32Å; I779-Q783 PolarHBondContact O-N 2.87Å
780S91.4Very high92.2Very high70 Ų7090.3 Ų90.349%0.4950%0.495SS..Hα-helixtrans-65-39.7178-57.10000112.3E776 T777 I778 L784E776-S780 WeakPolarHBondContact O-CB 3.3Å; E776-S780 PolarHBondContact O-N 3.29Å; E776-S780 PolarHBondContact O-OG 3.42Å; T777-S780 WeakPolarHBondContact O-CB 3.4Å; T777-S780 PolarHBondContact O-N 2.83Å; I778-S780 VanDerWaalsContact C-N 3.32Å; I778-S780 PolarHBondContact O-N 3.23Å; S780-L784 WeakPolarHBondContact O-CB 3.39Å; S780-L784 PolarHBondContact O-N 3.04Å
781E91.4Very high92.2Very high122 Ų12291.6 Ų91.657%0.5750%0.495SS*.Hα-helixtrans-65.3-44.7174.2-73.2-179.5175.300111.9T777 I778 Q783 L784 V785T777-E781 WeakPolarHBondContact O-CG 3.36Å; T777-E781 PolarHBondContact O-N 3.23Å; I778-E781 PolarHBondContact O-N 2.73Å; E781-Q783 PolarHBondContact O-N 2.76Å; E781-L784 PolarHBondContact O-N 3.47Å; E781-V785 WeakPolarHBondContact O-CG2 3.47Å; E781-V785 PolarHBondContact O-N 3.05Å
782C90Very high92.1Very high66 Ų6691.6 Ų91.645%0.44649%0.488SS..Hα-helixtrans-59.4-46.6174.7-72.60000111.8I778 I779 L784 V785 E786I778-C782 PolarHBondContact O-N 3.44Å; I778-C782 PolarHBondContact O-SG 3.13Å; I778-C782 VanDerWaalsContact O-SG 3.35Å; I779-C782 PolarHBondContact O-N 2.82Å; C782-L784 VanDerWaalsContact C-N 3.31Å; C782-L784 PolarHBondContact O-N 2.95Å; C782-V785 PolarHBondContact O-N 3.5Å; C782-E786 WeakPolarHBondContact O-CG 3.48Å; C782-E786 PolarHBondContact O-N 2.87Å
783Q91.6Very high92.1Very high113 Ų11391.5 Ų91.553%0.52849%0.49SS..Hα-helixtrans-61.7-37.9175.9-73.6175.9-3.600112.2I779 E781 T787I779-Q783 WeakPolarHBondContact O-CB 3.34Å; I779-Q783 WeakPolarHBondContact O-CG 3.32Å; I779-Q783 PolarHBondContact O-N 2.87Å; E781-Q783 PolarHBondContact O-N 2.76Å; Q783-T787 WeakPolarHBondContact O-CB 3.38Å; Q783-T787 VanDerWaalsContact O-CG2 3.31Å; Q783-T787 WeakPolarHBondContact O-CG2 3.49Å; Q783-T787 PolarHBondContact O-N 3.3Å; Q783-T787 PolarHBondContact O-OG1 3.24Å
784L92.5Very high92Very high112 Ų11291.9 Ų91.959%0.58649%0.491SS*.Hα-helixtrans-65.2-40.6175.1-177.462000111.9S780 E781 C782 T787 T788S780-L784 WeakPolarHBondContact O-CB 3.39Å; S780-L784 PolarHBondContact O-N 3.04Å; E781-L784 PolarHBondContact O-N 3.47Å; C782-L784 VanDerWaalsContact C-N 3.31Å; C782-L784 PolarHBondContact O-N 2.95Å; L784-T787 WeakPolarHBondContact CA-OG1 3.29Å; L784-T787 PolarHBondContact O-OG1 3.38Å; L784-T787 VanDerWaalsContact O-OG1 3.12Å; L784-T788 WeakPolarHBondContact O-CB 3.23Å; L784-T788 PolarHBondContact O-N 2.94Å; L784-T788 PolarHBondContact O-OG1 3.49Å
785V92.5Very high91.9Very high103 Ų10393.2 Ų93.262%0.62449%0.492SS*.Hα-helixtrans-67-44.1176.1172.10000111.3E781 C782 T788 K789E781-V785 WeakPolarHBondContact O-CG2 3.47Å; E781-V785 PolarHBondContact O-N 3.05Å; C782-V785 PolarHBondContact O-N 3.5Å; V785-T788 PolarHBondContact O-N 3.29Å; V785-K789 WeakPolarHBondContact O-CB 3.36Å; V785-K789 PolarHBondContact O-N 3.24Å
786E89.2Confident91.8Very high136 Ų13694.3 Ų94.364%0.63649%0.489SS*.Hα-helixtrans-64.5-46.1177.7-73.5180172.800112.4C782 T788 K789 L790C782-E786 WeakPolarHBondContact O-CG 3.48Å; C782-E786 PolarHBondContact O-N 2.87Å; E786-T788 VanDerWaalsContact C-N 3.34Å; E786-T788 PolarHBondContact O-N 3.48Å; E786-K789 PolarHBondContact O-N 2.93Å; E786-L790 PolarHBondContact O-N 3.12Å
787T92.1Very high91.8Very high81 Ų8196.2 Ų96.250%0.49749%0.492SS..Hα-helixtrans-65.3-36.6176510000112.2Q783 L784 L790 M791Q783-T787 WeakPolarHBondContact O-CB 3.38Å; Q783-T787 VanDerWaalsContact O-CG2 3.31Å; Q783-T787 WeakPolarHBondContact O-CG2 3.49Å; Q783-T787 PolarHBondContact O-N 3.3Å; Q783-T787 PolarHBondContact O-OG1 3.24Å; L784-T787 WeakPolarHBondContact CA-OG1 3.29Å; L784-T787 PolarHBondContact O-OG1 3.38Å; L784-T787 VanDerWaalsContact O-OG1 3.12Å; T787-L790 PolarHBondContact O-N 3.49Å; T787-M791 WeakPolarHBondContact O-CB 3.37Å; T787-M791 PolarHBondContact O-N 3.15Å
788T92.8Very high91.8Very high61 Ų6195.4 Ų95.437%0.37449%0.485SS..Hα-helixtrans-63.7-43172.4-60.70000111.3L784 V785 E786 M791 H792L784-T788 WeakPolarHBondContact O-CB 3.23Å; L784-T788 PolarHBondContact O-N 2.94Å; L784-T788 PolarHBondContact O-OG1 3.49Å; V785-T788 PolarHBondContact O-N 3.29Å; E786-T788 VanDerWaalsContact C-N 3.34Å; E786-T788 PolarHBondContact O-N 3.48Å; T788-M791 PolarHBondContact O-N 2.9Å; T788-H792 PolarHBondContact O-N 2.86Å; T788-H792 VanDerWaalsContact O-N 3.1Å; T788-H792 PolarHBondContact O-ND1 3.19Å
789K92.7Very high91.7Very high130 Ų13096 Ų9657%0.56549%0.486SS*.Hα-helixtrans-63.3-42.3176.1-175.5-179.1177.1-174.20111.8V785 E786 H792 L793V785-K789 WeakPolarHBondContact O-CB 3.36Å; V785-K789 PolarHBondContact O-N 3.24Å; E786-K789 PolarHBondContact O-N 2.93Å; K789-H792 PolarHBondContact O-N 2.85Å; K789-L793 HydrophobicContact CG-CD1 4.48Å; K789-L793 WeakPolarHBondContact O-CG 3.33Å; K789-L793 PolarHBondContact O-N 3.47Å; K789-L793 VanDerWaalsContact O-N 3.11Å
790L92.3Very high91.7Very high90 Ų9094.3 Ų94.347%0.47148%0.48SS..Hα-helixtrans-62.9-41.2175.7-177.461.5000111.8E786 T787 L793 I794E786-L790 PolarHBondContact O-N 3.12Å; T787-L790 PolarHBondContact O-N 3.49Å; L790-L793 PolarHBondContact O-N 3Å; L790-I794 HydrophobicContact CD1-CD1 4.36Å; L790-I794 HydrophobicContact CG-CD1 4.05Å; L790-I794 WeakPolarHBondContact O-CG1 3.34Å; L790-I794 PolarHBondContact O-N 3.01Å
791M92.6Very high91.7Very high100 Ų10093.9 Ų93.949%0.49347%0.471SS..Hα-helixtrans-60.5-45.7175.8-173174.2-69.800112T787 T788 L793 I794 E795T787-M791 WeakPolarHBondContact O-CB 3.37Å; T787-M791 PolarHBondContact O-N 3.15Å; T788-M791 PolarHBondContact O-N 2.9Å; M791-L793 VanDerWaalsContact C-N 3.34Å; M791-L793 PolarHBondContact O-N 3.09Å; M791-I794 PolarHBondContact O-N 3.2Å; M791-E795 WeakPolarHBondContact O-CG 3.32Å; M791-E795 PolarHBondContact O-N 2.68Å
792H92Very high91.7Very high95 Ų9591 Ų9144%0.4446%0.459SS..Hα-helixtrans-61.8-39.2176.4-75.678000112.7T788 K789 E795 E796T788-H792 PolarHBondContact O-N 2.86Å; T788-H792 VanDerWaalsContact O-N 3.1Å; T788-H792 PolarHBondContact O-ND1 3.19Å; K789-H792 PolarHBondContact O-N 2.85Å; H792-E795 PolarHBondContact O-N 3.31Å; H792-E796 PolarHBondContact O-N 2.9Å
793L92.4Very high91.8Very high82 Ų8290.8 Ų90.843%0.42945%0.452SS..Hα-helixtrans-66.9-35.4176-71169.9000112.2K789 L790 M791 R797K789-L793 HydrophobicContact CG-CD1 4.48Å; K789-L793 WeakPolarHBondContact O-CG 3.33Å; K789-L793 PolarHBondContact O-N 3.47Å; K789-L793 VanDerWaalsContact O-N 3.11Å; L790-L793 PolarHBondContact O-N 3Å; M791-L793 VanDerWaalsContact C-N 3.34Å; M791-L793 PolarHBondContact O-N 3.09Å; L793-R797 VanDerWaalsContact O-CB 3.25Å; L793-R797 WeakPolarHBondContact O-CB 3.43Å; L793-R797 PolarHBondContact O-N 2.93Å
794I91.7Very high91.8Very high86 Ų8687.9 Ų87.944%0.44145%0.447SS..Hα-helixtrans-67.6-40.2174.5-69165.2000110.9L790 M791 R797 N798L790-I794 HydrophobicContact CD1-CD1 4.36Å; L790-I794 HydrophobicContact CG-CD1 4.05Å; L790-I794 WeakPolarHBondContact O-CG1 3.34Å; L790-I794 PolarHBondContact O-N 3.01Å; M791-I794 PolarHBondContact O-N 3.2Å; I794-R797 PolarHBondContact O-N 3.5Å; I794-N798 WeakPolarHBondContact O-CB 3.42Å; I794-N798 VanDerWaalsContact O-CG 3.23Å; I794-N798 PolarHBondContact O-N 3.02Å; I794-N798 PolarHBondContact O-ND2 3.27Å
795E92.6Very high91.8Very high103 Ų10387.9 Ų87.948%0.48144%0.443SS..Hα-helixtrans-62.2-47.7174.1-71.7176.3-179.100111.9M791 H792 R797 N798 E799M791-E795 WeakPolarHBondContact O-CG 3.32Å; M791-E795 PolarHBondContact O-N 2.68Å; H792-E795 PolarHBondContact O-N 3.31Å; E795-R797 VanDerWaalsContact C-N 3.34Å; E795-R797 PolarHBondContact O-N 3.14Å; E795-N798 PolarHBondContact O-N 3.26Å; E795-N798 VanDerWaalsContact O-N 3.11Å; E795-E799 PolarHBondContact O-N 3.36Å
796E90.3Very high91.7Very high65 Ų6588.3 Ų88.330%0.30443%0.433SS..Hα-helixtrans-62.7-39.3177.3-173165.8-143.500112S260 W262 H792 N798 T800S260-E796 PolarHBondContact OG-OE1 2.64Å; W262-E796 VanDerWaalsContact CD1-OE1 3.29Å; H792-E796 PolarHBondContact O-N 2.9Å; E796-N798 VanDerWaalsContact C-N 3.32Å; E796-N798 PolarHBondContact O-N 3.43Å; E796-T800 WeakPolarHBondContact O-CB 3.35Å; E796-T800 WeakPolarHBondContact O-CG2 3.42Å; E796-T800 PolarHBondContact O-N 3.38Å; E796-T800 PolarHBondContact O-OG1 3.33Å
797R91.3Very high91.8Very high142 Ų14287.9 Ų87.954%0.53643%0.432SS..Hα-helixtrans-64.5-33.3173.1-176.9-91174.6-165.4-1.1112.7L793 I794 E795 T800 M801L793-R797 VanDerWaalsContact O-CB 3.25Å; L793-R797 WeakPolarHBondContact O-CB 3.43Å; L793-R797 PolarHBondContact O-N 2.93Å; I794-R797 PolarHBondContact O-N 3.5Å; E795-R797 VanDerWaalsContact C-N 3.34Å; E795-R797 PolarHBondContact O-N 3.14Å; R797-T800 WeakPolarHBondContact CA-OG1 3.47Å; R797-T800 PolarHBondContact O-OG1 2.99Å; R797-T800 VanDerWaalsContact O-OG1 3.05Å; R797-M801 PolarHBondContact NH1-SD 3.5Å; R797-M801 VanDerWaalsContact NH1-SD 3.43Å; R797-M801 VanDerWaalsContact O-CB 3.31Å; R797-M801 WeakPolarHBondContact O-CB 3.42Å; R797-M801 PolarHBondContact O-N 3.33Å; R797-M801 VanDerWaalsContact O-N 3.13Å
798N92.7Very high91.8Very high61 Ų6188.5 Ų88.533%0.32643%0.432SS..Hα-helixtrans-77.4-40.6178.3-72.5-22.7000112I794 E795 E796 M801 D802I794-N798 WeakPolarHBondContact O-CB 3.42Å; I794-N798 VanDerWaalsContact O-CG 3.23Å; I794-N798 PolarHBondContact O-N 3.02Å; I794-N798 PolarHBondContact O-ND2 3.27Å; E795-N798 PolarHBondContact O-N 3.26Å; E795-N798 VanDerWaalsContact O-N 3.11Å; E796-N798 VanDerWaalsContact C-N 3.32Å; E796-N798 PolarHBondContact O-N 3.43Å; N798-M801 PolarHBondContact O-N 3.33Å; N798-D802 PolarHBondContact O-N 3.01Å
799E91.2Very high91.8Very high103 Ų10388.3 Ų88.348%0.48144%0.437SS..Hα-helixtrans-63.5-42.8174.6-177.258-127.900111.6E795 M801 D802 Q803 R806E795-E799 PolarHBondContact O-N 3.36Å; E799-M801 PolarHBondContact O-N 2.95Å; E799-D802 PolarHBondContact O-N 3.24Å; E799-Q803 WeakPolarHBondContact O-CB 3.47Å; E799-Q803 PolarHBondContact O-N 3.47Å; E799-R806 IonicContact OE1-CZ 2.76Å; E799-R806 IonicContact OE1-NH1 2.73Å; E799-R806 PolarHBondContact OE1-NH1 3.03Å; E799-R806 IonicContact OE1-NH2 3.47Å; E799-R806 PolarHBondContact OE1-NH2 2.95Å
800T90.3Very high91.8Very high59 Ų5985.5 Ų85.536%0.36243%0.431SS..Hα-helixtrans-64.1-38.6175.347.40000112.4E796 R797 Q803 A804E796-T800 WeakPolarHBondContact O-CB 3.35Å; E796-T800 WeakPolarHBondContact O-CG2 3.42Å; E796-T800 PolarHBondContact O-N 3.38Å; E796-T800 PolarHBondContact O-OG1 3.33Å; R797-T800 WeakPolarHBondContact CA-OG1 3.47Å; R797-T800 PolarHBondContact O-OG1 2.99Å; R797-T800 VanDerWaalsContact O-OG1 3.05Å; T800-Q803 PolarHBondContact O-N 3.44Å; T800-A804 PolarHBondContact O-N 3.04Å
801M91Very high91.7Very high61 Ų6186 Ų8630%0.343%0.43SS..Hα-helixtrans-62.8-41.6171.9177.7-179.65600112.1R797 N798 E799 A804 K805R797-M801 PolarHBondContact NH1-SD 3.5Å; R797-M801 VanDerWaalsContact NH1-SD 3.43Å; R797-M801 VanDerWaalsContact O-CB 3.31Å; R797-M801 WeakPolarHBondContact O-CB 3.42Å; R797-M801 PolarHBondContact O-N 3.33Å; R797-M801 VanDerWaalsContact O-N 3.13Å; N798-M801 PolarHBondContact O-N 3.33Å; E799-M801 PolarHBondContact O-N 2.95Å; M801-A804 PolarHBondContact O-N 2.91Å; M801-K805 WeakPolarHBondContact O-CG 3.25Å; M801-K805 PolarHBondContact O-N 2.9Å
802D91.2Very high91.8Very high61 Ų6187 Ų8733%0.32643%0.432SS..Hα-helixtrans-73.2-32.8178.5-74.5-14.5000112.3N798 E799 A804 K805 R806N798-D802 PolarHBondContact O-N 3.01Å; E799-D802 PolarHBondContact O-N 3.24Å; D802-A804 VanDerWaalsContact C-N 3.35Å; D802-K805 PolarHBondContact O-N 3.22Å; D802-K805 WeakPolarHBondContact OD1-CD 3.49Å; D802-K805 WeakPolarHBondContact OD1-CE 3.43Å; D802-K805 IonicContact OD1-NZ 3.41Å; D802-K805 PolarHBondContact OD1-NZ 3.46Å; D802-R806 WeakPolarHBondContact O-CG 3.43Å; D802-R806 PolarHBondContact O-N 2.92Å
803Q92.6Very high91.8Very high63 Ų6385.5 Ų85.529%0.29443%0.427SS..Hα-helixtrans-60.1-43.6167.5-174.6177.4-8.900111.5L268 E799 T800 R806 M807L268-Q803 HydrophobicContact CD2-CG 4.08Å; E799-Q803 WeakPolarHBondContact O-CB 3.47Å; E799-Q803 PolarHBondContact O-N 3.47Å; T800-Q803 PolarHBondContact O-N 3.44Å; Q803-R806 PolarHBondContact O-N 2.68Å; Q803-M807 PolarHBondContact O-N 3.48Å
804A91Very high91.8Very high51 Ų5186 Ų8642%0.42143%0.428SS..Hα-helixtrans-63.5-40.817600000112.3T800 M801 D802 M807 L808T800-A804 PolarHBondContact O-N 3.04Å; M801-A804 PolarHBondContact O-N 2.91Å; D802-A804 VanDerWaalsContact C-N 3.35Å; A804-M807 PolarHBondContact O-N 3.31Å; A804-L808 WeakPolarHBondContact O-CB 3.37Å; A804-L808 PolarHBondContact O-N 2.97Å
805K92.9Very high91.8Very high113 Ų11385 Ų8549%0.49143%0.426SS..Hα-helixtrans-60.5-44.7172.5-68.7171.9-165.7158.50112M801 D802 L808 A809M801-K805 WeakPolarHBondContact O-CG 3.25Å; M801-K805 PolarHBondContact O-N 2.9Å; D802-K805 PolarHBondContact O-N 3.22Å; D802-K805 WeakPolarHBondContact OD1-CD 3.49Å; D802-K805 WeakPolarHBondContact OD1-CE 3.43Å; D802-K805 IonicContact OD1-NZ 3.41Å; D802-K805 PolarHBondContact OD1-NZ 3.46Å; K805-L808 PolarHBondContact O-N 3.35Å; K805-A809 PolarHBondContact O-N 2.93Å
806R91.8Very high91.7Very high112 Ų11285 Ų8542%0.42343%0.426SS..Hα-helixtrans-61.6-44177-70.8-176.4-59.1-107.28.4111.3E799 D802 Q803 A809 V810E799-R806 IonicContact OE1-CZ 2.76Å; E799-R806 IonicContact OE1-NH1 2.73Å; E799-R806 PolarHBondContact OE1-NH1 3.03Å; E799-R806 IonicContact OE1-NH2 3.47Å; E799-R806 PolarHBondContact OE1-NH2 2.95Å; D802-R806 WeakPolarHBondContact O-CG 3.43Å; D802-R806 PolarHBondContact O-N 2.92Å; Q803-R806 PolarHBondContact O-N 2.68Å; R806-A809 PolarHBondContact O-N 3.37Å; R806-V810 WeakPolarHBondContact O-CG2 3.41Å; R806-V810 PolarHBondContact O-N 3.25Å
807M90Very high91.7Very high126 Ų12689.2 Ų89.262%0.62144%0.439SS*.Hα-helixtrans-62.8-42.7176.2-172.1173.370.400112.4Q803 A804 A809 V810 H811Q803-M807 PolarHBondContact O-N 3.48Å; A804-M807 PolarHBondContact O-N 3.31Å; M807-A809 VanDerWaalsContact C-N 3.32Å; M807-A809 PolarHBondContact O-N 3.44Å; M807-V810 PolarHBondContact O-N 3.16Å; M807-H811 PolarHBondContact O-N 2.97Å
808L92.1Very high91.6Very high94 Ų9486.4 Ų86.449%0.49243%0.434SS..Hα-helixtrans-63.2-36.7174.9-179.762000112.4A804 K805 H811 K812A804-L808 WeakPolarHBondContact O-CB 3.37Å; A804-L808 PolarHBondContact O-N 2.97Å; K805-L808 PolarHBondContact O-N 3.35Å; L808-H811 PolarHBondContact O-N 3.47Å; L808-K812 WeakPolarHBondContact O-CG 3.39Å; L808-K812 PolarHBondContact O-N 3.31Å
809A92.6Very high91.5Very high58 Ų5887.8 Ų87.848%0.47944%0.438SS..Hα-helixtrans-66.1-43.217500000112K805 R806 M807 K812 D813K805-A809 PolarHBondContact O-N 2.93Å; R806-A809 PolarHBondContact O-N 3.37Å; M807-A809 VanDerWaalsContact C-N 3.32Å; M807-A809 PolarHBondContact O-N 3.44Å; A809-K812 PolarHBondContact O-N 2.95Å; A809-D813 PolarHBondContact O-N 3.4Å
810V92.5Very high91.2Very high71 Ų7189.9 Ų89.943%0.4344%0.442SS..Hα-helixtrans-61.5-43.6174.3172.60000111.2L272 R806 M807 K812 D813 M814L272-V810 HydrophobicContact CD1-CG2 4.45Å; L272-V810 HydrophobicContact CD2-CG2 4.25Å; R806-V810 WeakPolarHBondContact O-CG2 3.41Å; R806-V810 PolarHBondContact O-N 3.25Å; M807-V810 PolarHBondContact O-N 3.16Å; V810-K812 VanDerWaalsContact C-N 3.34Å; V810-K812 PolarHBondContact O-N 3.02Å; V810-D813 PolarHBondContact O-N 3.2Å; V810-M814 WeakPolarHBondContact O-CB 3.41Å; V810-M814 PolarHBondContact O-N 3.46Å
811H91.2Very high91Very high99 Ų9989.9 Ų89.946%0.45845%0.448SS..Hα-helixtrans-60.5-41.5175.6-178.4-86.3000112.1M807 L808 M814 V815M807-H811 PolarHBondContact O-N 2.97Å; L808-H811 PolarHBondContact O-N 3.47Å; H811-M814 WeakPolarHBondContact O-CB 3.4Å; H811-M814 PolarHBondContact O-N 3.44Å; H811-V815 WeakPolarHBondContact O-CG2 3.39Å; H811-V815 PolarHBondContact O-N 3.43Å
812K93.8Very high90.9Very high121 Ų12192.3 Ų92.353%0.52646%0.458SS..Hα-helixtrans-64-43.5176-74.5177.1178.8-1760112.8L808 A809 V810 M814 V815 H816L808-K812 WeakPolarHBondContact O-CG 3.39Å; L808-K812 PolarHBondContact O-N 3.31Å; A809-K812 PolarHBondContact O-N 2.95Å; V810-K812 VanDerWaalsContact C-N 3.34Å; V810-K812 PolarHBondContact O-N 3.02Å; K812-M814 VanDerWaalsContact C-N 3.33Å; K812-M814 PolarHBondContact O-N 3.32Å; K812-V815 PolarHBondContact O-N 3.12Å; K812-H816 PolarHBondContact O-CD2 3.5Å; K812-H816 VanDerWaalsContact O-CD2 3.24Å; K812-H816 PolarHBondContact O-N 3.39Å
813D93Very high90.6Very high64 Ų6493.9 Ų93.934%0.34247%0.467SS..Hα-helixtrans-63.4-39.9174.3-179.147000111.4A809 V810 H816 R817 R820A809-D813 PolarHBondContact O-N 3.4Å; V810-D813 PolarHBondContact O-N 3.2Å; D813-H816 PolarHBondContact O-N 2.82Å; D813-R817 VanDerWaalsContact O-CG 3.28Å; D813-R817 WeakPolarHBondContact O-CG 3.49Å; D813-R817 PolarHBondContact O-N 3.48Å; D813-R817 IonicContact OD1-NE 3.12Å; D813-R817 PolarHBondContact OD1-NE 3.15Å; D813-R817 IonicContact OD2-CZ 3.59Å; D813-R817 IonicContact OD2-NE 3.93Å; D813-R817 PolarHBondContact OD2-NE 3.3Å; D813-R817 IonicContact OD2-NH2 3.89Å; D813-R817 PolarHBondContact OD2-NH2 2.91Å; D813-R820 IonicContact OD1-NH2 3.54Å
814M91.6Very high90.4Very high93 Ų9397.3 Ų97.346%0.45848%0.481SS..Hα-helixtrans-59.2-47.5174.5-175.4-178.37200111.9V810 H811 K812 H816 R817 I818V810-M814 WeakPolarHBondContact O-CB 3.41Å; V810-M814 PolarHBondContact O-N 3.46Å; H811-M814 WeakPolarHBondContact O-CB 3.4Å; H811-M814 PolarHBondContact O-N 3.44Å; K812-M814 VanDerWaalsContact C-N 3.33Å; K812-M814 PolarHBondContact O-N 3.32Å; M814-H816 PolarHBondContact O-N 2.99Å; M814-R817 WeakPolarHBondContact O-CB 3.32Å; M814-R817 PolarHBondContact O-N 3.36Å; M814-R817 VanDerWaalsContact O-N 3.14Å; M814-I818 HydrophobicContact CG-CD1 4.08Å; M814-I818 WeakPolarHBondContact O-CG1 3.14Å; M814-I818 PolarHBondContact O-N 2.67Å
815V91.7Very high90.2Very high66 Ų66101.6 Ų101.640%0.449%0.492SS..Hα-helixtrans-60.1-46.6176.2171.70000111.1H811 K812 R817 I818 E819H811-V815 WeakPolarHBondContact O-CG2 3.39Å; H811-V815 PolarHBondContact O-N 3.43Å; K812-V815 PolarHBondContact O-N 3.12Å; V815-R817 VanDerWaalsContact C-N 3.26Å; V815-R817 PolarHBondContact O-N 3.22Å; V815-I818 PolarHBondContact O-N 3.34Å; V815-I818 VanDerWaalsContact O-N 3.13Å; V815-E819 WeakPolarHBondContact O-CB 3.4Å; V815-E819 PolarHBondContact O-N 3.06Å
816H90.6Very high89.9Confident103 Ų103102 Ų10248%0.47750%0.495SS..Hα-helixtrans-67.5-21.1176.2-71.2-49.5000114.1K812 D813 M814 E819 R820K812-H816 PolarHBondContact O-CD2 3.5Å; K812-H816 VanDerWaalsContact O-CD2 3.24Å; K812-H816 PolarHBondContact O-N 3.39Å; D813-H816 PolarHBondContact O-N 2.82Å; M814-H816 PolarHBondContact O-N 2.99Å; H816-E819 IonicContact CE1-OE2 2.68Å; H816-E819 IonicContact CG-OE2 2.67Å; H816-E819 IonicContact ND1-OE2 3.47Å; H816-E819 PolarHBondContact ND1-OE2 2.97Å; H816-R820 WeakPolarHBondContact O-CB 3.44Å; H816-R820 VanDerWaalsContact O-CG 3.25Å; H816-R820 WeakPolarHBondContact O-CG 3.43Å; H816-R820 PolarHBondContact O-N 3.45Å; H816-R820 PolarHBondContact O-NE 3.3Å
817R90.7Very high89.6Confident152 Ų15299.4 Ų99.457%0.57449%0.494SS*.Hα-helixtrans-75.4-41.3169.1-73.6173.2-170.4-1438.6111.3D813 M814 V815 R820 A821D813-R817 VanDerWaalsContact O-CG 3.28Å; D813-R817 WeakPolarHBondContact O-CG 3.49Å; D813-R817 PolarHBondContact O-N 3.48Å; D813-R817 IonicContact OD1-NE 3.12Å; D813-R817 PolarHBondContact OD1-NE 3.15Å; D813-R817 IonicContact OD2-CZ 3.59Å; D813-R817 IonicContact OD2-NE 3.93Å; D813-R817 PolarHBondContact OD2-NE 3.3Å; D813-R817 IonicContact OD2-NH2 3.89Å; D813-R817 PolarHBondContact OD2-NH2 2.91Å; M814-R817 WeakPolarHBondContact O-CB 3.32Å; M814-R817 PolarHBondContact O-N 3.36Å; M814-R817 VanDerWaalsContact O-N 3.14Å; V815-R817 VanDerWaalsContact C-N 3.26Å; V815-R817 PolarHBondContact O-N 3.22Å; R817-R820 PolarHBondContact O-N 3.28Å; R817-A821 WeakPolarHBondContact O-CB 3.43Å; R817-A821 PolarHBondContact O-N 3.23Å
818I89.6Confident89.6Confident84 Ų8497.1 Ų97.143%0.43148%0.484SS..Hα-helixtrans-63.1-48.6175.7-67.3164.2000110.1M814 V815 R820 A821 Q822M814-I818 HydrophobicContact CG-CD1 4.08Å; M814-I818 WeakPolarHBondContact O-CG1 3.14Å; M814-I818 PolarHBondContact O-N 2.67Å; V815-I818 PolarHBondContact O-N 3.34Å; V815-I818 VanDerWaalsContact O-N 3.13Å; I818-R820 PolarHBondContact O-N 3.01Å; I818-A821 CarbonylContact O-C 3.58Å; I818-A821 WeakPolarHBondContact O-CA 3.47Å; I818-A821 WeakPolarHBondContact O-CB 3.25Å; I818-A821 PolarHBondContact O-N 3.32Å; I818-Q822 HydrophobicContact CG2-CG 4.41Å; I818-Q822 WeakPolarHBondContact O-CG 3.24Å; I818-Q822 PolarHBondContact O-N 3.17Å
819E89.2Confident89.6Confident89 Ų8999 Ų9942%0.41649%0.489SS..Hα-helixtrans-56.8-47.6176.4-177.9-179.5-154.200111.7V815 H816 A821 Q822 N823V815-E819 WeakPolarHBondContact O-CB 3.4Å; V815-E819 PolarHBondContact O-N 3.06Å; H816-E819 IonicContact CE1-OE2 2.68Å; H816-E819 IonicContact CG-OE2 2.67Å; H816-E819 IonicContact ND1-OE2 3.47Å; H816-E819 PolarHBondContact ND1-OE2 2.97Å; E819-A821 VanDerWaalsContact C-N 3.31Å; E819-A821 PolarHBondContact O-N 3.41Å; E819-Q822 PolarHBondContact O-N 3.36Å; E819-N823 WeakPolarHBondContact O-CB 3.48Å; E819-N823 VanDerWaalsContact O-CG 3.23Å; E819-N823 PolarHBondContact O-N 3.26Å; E819-N823 PolarHBondContact O-OD1 3.06Å
820R86.9Confident89.5Confident148 Ų148101.2 Ų101.256%0.55849%0.491SS*.Hα-helixtrans-63.4-33.9174-76.8-178.1-67.8164.5-7.2113.2D813 H816 R817 I818 K824D813-R820 IonicContact OD1-NH2 3.54Å; H816-R820 WeakPolarHBondContact O-CB 3.44Å; H816-R820 VanDerWaalsContact O-CG 3.25Å; H816-R820 WeakPolarHBondContact O-CG 3.43Å; H816-R820 PolarHBondContact O-N 3.45Å; H816-R820 PolarHBondContact O-NE 3.3Å; R817-R820 PolarHBondContact O-N 3.28Å; I818-R820 PolarHBondContact O-N 3.01Å; R820-K824 VanDerWaalsContact O-CB 3.24Å; R820-K824 WeakPolarHBondContact O-CB 3.36Å; R820-K824 PolarHBondContact O-N 3.01Å; R820-K824 VanDerWaalsContact O-N 3.08Å
821A86Confident89.4Confident58 Ų58101.6 Ų101.648%0.47949%0.491SS..Hα-helixtrans-71.3-39.4176.100000111.8R817 I818 E819 K824 Q825R817-A821 WeakPolarHBondContact O-CB 3.43Å; R817-A821 PolarHBondContact O-N 3.23Å; I818-A821 CarbonylContact O-C 3.58Å; I818-A821 WeakPolarHBondContact O-CA 3.47Å; I818-A821 WeakPolarHBondContact O-CB 3.25Å; I818-A821 PolarHBondContact O-N 3.32Å; E819-A821 VanDerWaalsContact C-N 3.31Å; E819-A821 PolarHBondContact O-N 3.41Å; A821-K824 PolarHBondContact O-N 3.22Å; A821-Q825 WeakPolarHBondContact O-CB 3.39Å; A821-Q825 PolarHBondContact O-N 3.04Å
822Q87.1Confident89.5Confident113 Ų113103.2 Ų103.253%0.52850%0.497SS..Hα-helixtrans-64.2-50.9174.2-74.1173.7-28.800111.3I818 E819 K824 Q825 E826I818-Q822 HydrophobicContact CG2-CG 4.41Å; I818-Q822 WeakPolarHBondContact O-CG 3.24Å; I818-Q822 PolarHBondContact O-N 3.17Å; E819-Q822 PolarHBondContact O-N 3.36Å; Q822-K824 PolarHBondContact O-N 2.97Å; Q822-Q825 CarbonylContact O-C 3.57Å; Q822-Q825 WeakPolarHBondContact O-CA 3.28Å; Q822-Q825 WeakPolarHBondContact O-CB 3.45Å; Q822-Q825 PolarHBondContact O-N 3.45Å; Q822-E826 PolarHBondContact O-N 3.05Å
823N86.7Confident89.4Confident93 Ų93101.8 Ų101.850%0.49750%0.495SS..Hα-helixtrans-59.2-34.9176.4-65.7-9.2000111.8E819 S827E819-N823 WeakPolarHBondContact O-CB 3.48Å; E819-N823 VanDerWaalsContact O-CG 3.23Å; E819-N823 PolarHBondContact O-N 3.26Å; E819-N823 PolarHBondContact O-OD1 3.06Å; N823-S827 PolarHBondContact O-N 3.24Å; N823-S827 PolarHBondContact O-OG 2.99Å
824K87Confident89.4Confident136 Ų136103.6 Ų103.659%0.59150%0.503SS*.Hα-helixtrans-69.9-41.1172.7-178.8171.3-179.7-176.40112.2R820 A821 Q822 E826 S827 L828R820-K824 VanDerWaalsContact O-CB 3.24Å; R820-K824 WeakPolarHBondContact O-CB 3.36Å; R820-K824 PolarHBondContact O-N 3.01Å; R820-K824 VanDerWaalsContact O-N 3.08Å; A821-K824 PolarHBondContact O-N 3.22Å; Q822-K824 PolarHBondContact O-N 2.97Å; K824-E826 VanDerWaalsContact C-N 3.33Å; K824-S827 PolarHBondContact O-N 3.03Å; K824-S827 PolarHBondContact O-OG 3.34Å; K824-L828 HydrophobicContact CG-CD1 3.89Å; K824-L828 WeakPolarHBondContact O-CB 3.47Å; K824-L828 WeakPolarHBondContact O-CD1 3.4Å; K824-L828 PolarHBondContact O-N 2.99Å
825Q87Confident89.4Confident140 Ų140103.4 Ų103.465%0.65450%0.502SS*.Hα-helixtrans-64-39.5175.9-178178-4.800111.5A821 Q822 L828 K829A821-Q825 WeakPolarHBondContact O-CB 3.39Å; A821-Q825 PolarHBondContact O-N 3.04Å; Q822-Q825 CarbonylContact O-C 3.57Å; Q822-Q825 WeakPolarHBondContact O-CA 3.28Å; Q822-Q825 WeakPolarHBondContact O-CB 3.45Å; Q822-Q825 PolarHBondContact O-N 3.45Å; Q825-L828 PolarHBondContact O-N 2.8Å; Q825-K829 WeakPolarHBondContact O-CB 3.43Å; Q825-K829 PolarHBondContact O-N 3.13Å
826E87Confident89.5Confident121 Ų121105.8 Ų105.857%0.56551%0.509SS*.Hα-helixtrans-67.6-43.6176.2-172.8162.9-145.600111.8Q822 K824 L828 K829 I830Q822-E826 PolarHBondContact O-N 3.05Å; K824-E826 VanDerWaalsContact C-N 3.33Å; E826-L828 VanDerWaalsContact C-N 3.33Å; E826-L828 PolarHBondContact O-N 2.97Å; E826-K829 WeakPolarHBondContact O-CB 3.38Å; E826-K829 PolarHBondContact O-N 3.45Å; E826-K829 VanDerWaalsContact O-N 3.15Å; E826-I830 HydrophobicContact CG-CD1 4.24Å; E826-I830 WeakPolarHBondContact O-CG1 3.36Å; E826-I830 PolarHBondContact O-N 2.95Å
827S85.9Confident89.7Confident58 Ų58104 Ų10441%0.40651%0.508SS..Hα-helixtrans-65.4-34.8173.673.10000112.9N823 K824 N831N823-S827 PolarHBondContact O-N 3.24Å; N823-S827 PolarHBondContact O-OG 2.99Å; K824-S827 PolarHBondContact O-N 3.03Å; K824-S827 PolarHBondContact O-OG 3.34Å; S827-N831 WeakPolarHBondContact O-CB 3.12Å; S827-N831 PolarHBondContact O-N 2.97Å; S827-N831 PolarHBondContact O-ND2 2.86Å
828L89.3Confident89.9Confident78 Ų78101 Ų10141%0.40850%0.504SS..Hα-helixtrans-64-42.8170-95.3139.1000111.7K824 Q825 E826 N831 F832K824-L828 HydrophobicContact CG-CD1 3.89Å; K824-L828 WeakPolarHBondContact O-CB 3.47Å; K824-L828 WeakPolarHBondContact O-CD1 3.4Å; K824-L828 PolarHBondContact O-N 2.99Å; Q825-L828 PolarHBondContact O-N 2.8Å; E826-L828 VanDerWaalsContact C-N 3.33Å; E826-L828 PolarHBondContact O-N 2.97Å; L828-N831 PolarHBondContact O-N 3.11Å; L828-F832 HydrophobicContact CD2-CE2 3.87Å; L828-F832 WeakPolarHBondContact O-CD2 3.43Å; L828-F832 PolarHBondContact O-N 2.99Å
829K91.9Very high90Very high134 Ų134100.7 Ų100.758%0.58350%0.502SS*.Hα-helixtrans-60.4-49.8176.3-175.2-174.7172.6-169.10111.4Q825 E826 N831 F832 D833Q825-K829 WeakPolarHBondContact O-CB 3.43Å; Q825-K829 PolarHBondContact O-N 3.13Å; E826-K829 WeakPolarHBondContact O-CB 3.38Å; E826-K829 PolarHBondContact O-N 3.45Å; E826-K829 VanDerWaalsContact O-N 3.15Å; K829-N831 VanDerWaalsContact C-N 3.28Å; K829-N831 PolarHBondContact O-N 3.47Å; K829-F832 PolarHBondContact O-N 3.29Å; K829-F832 VanDerWaalsContact O-N 3.07Å; K829-D833 VanDerWaalsContact O-CG 3.31Å; K829-D833 PolarHBondContact O-N 2.83Å
830I91.3Very high90.3Very high105 Ų10599.7 Ų99.754%0.53850%0.499SS..Hα-helixtrans-57.1-42.1176.5-66.8164.2000111E826 D833 M834E826-I830 HydrophobicContact CG-CD1 4.24Å; E826-I830 WeakPolarHBondContact O-CG1 3.36Å; E826-I830 PolarHBondContact O-N 2.95Å; I830-D833 PolarHBondContact O-N 2.76Å; I830-M834 WeakPolarHBondContact O-CB 3.4Å; I830-M834 PolarHBondContact O-N 3.29Å
831N90.9Very high90.6Very high79 Ų7995.5 Ų95.542%0.42249%0.49SS..Hα-helixtrans-65.1-41175.4-77.4-52000112.7S827 L828 K829 M834 I835S827-N831 WeakPolarHBondContact O-CB 3.12Å; S827-N831 PolarHBondContact O-N 2.97Å; S827-N831 PolarHBondContact O-ND2 2.86Å; L828-N831 PolarHBondContact O-N 3.11Å; K829-N831 VanDerWaalsContact C-N 3.28Å; K829-N831 PolarHBondContact O-N 3.47Å; N831-M834 PolarHBondContact O-N 3.12Å; N831-I835 WeakPolarHBondContact O-CB 3.34Å; N831-I835 WeakPolarHBondContact O-CD1 3.47Å; N831-I835 VanDerWaalsContact O-CG1 3.25Å; N831-I835 WeakPolarHBondContact O-CG1 3.45Å; N831-I835 PolarHBondContact O-N 3.43Å
832F91.6Very high90.9Very high133 Ų13397.2 Ų97.258%0.58349%0.49SS*.Hα-helixtrans-64.7-43174.6-81.7-62.9000112.1L828 K829 M834 I835 H836L828-F832 HydrophobicContact CD2-CE2 3.87Å; L828-F832 WeakPolarHBondContact O-CD2 3.43Å; L828-F832 PolarHBondContact O-N 2.99Å; K829-F832 PolarHBondContact O-N 3.29Å; K829-F832 VanDerWaalsContact O-N 3.07Å; F832-M834 VanDerWaalsContact C-N 3.34Å; F832-M834 PolarHBondContact O-N 2.66Å; F832-I835 PolarHBondContact O-N 3.37Å; F832-H836 VanDerWaalsContact O-CB 3.32Å; F832-H836 WeakPolarHBondContact O-CB 3.37Å; F832-H836 PolarHBondContact O-N 3.35Å
833D92.5Very high91.3Very high90 Ų9097.6 Ų97.648%0.48149%0.492SS..Hα-helixtrans-63.3-40.4177.9-67.2-24.3000110.9K829 I830 H836 S837K829-D833 VanDerWaalsContact O-CG 3.31Å; K829-D833 PolarHBondContact O-N 2.83Å; I830-D833 PolarHBondContact O-N 2.76Å; D833-H836 PolarHBondContact O-N 2.78Å; D833-S837 WeakPolarHBondContact O-CB 3.48Å; D833-S837 PolarHBondContact O-N 3.11Å
834M92.8Very high91.6Very high102 Ų10298.6 Ų98.650%0.50249%0.493SS..Hα-helixtrans-63.7-46.1173.5-178.8175.262.400112.5I830 N831 F832 H836 S837 N838I830-M834 WeakPolarHBondContact O-CB 3.4Å; I830-M834 PolarHBondContact O-N 3.29Å; N831-M834 PolarHBondContact O-N 3.12Å; F832-M834 VanDerWaalsContact C-N 3.34Å; F832-M834 PolarHBondContact O-N 2.66Å; M834-H836 VanDerWaalsContact C-N 3.31Å; M834-H836 PolarHBondContact O-N 3.1Å; M834-S837 PolarHBondContact O-N 3.42Å; M834-N838 PolarHBondContact O-N 3.3Å
835I92.7Very high92Very high89 Ų8998.3 Ų98.346%0.45649%0.492SS..Hα-helixtrans-61.9-41.5175.6-70.2164.6000110.5N831 F832 N838 I839N831-I835 WeakPolarHBondContact O-CB 3.34Å; N831-I835 WeakPolarHBondContact O-CD1 3.47Å; N831-I835 VanDerWaalsContact O-CG1 3.25Å; N831-I835 WeakPolarHBondContact O-CG1 3.45Å; N831-I835 PolarHBondContact O-N 3.43Å; F832-I835 PolarHBondContact O-N 3.37Å; I835-N838 PolarHBondContact O-N 2.9Å; I835-I839 HydrophobicContact CG2-CD1 3.87Å; I835-I839 WeakPolarHBondContact O-CG1 3.45Å; I835-I839 PolarHBondContact O-N 3.36Å
836H93.6Very high92.3Very high116 Ų11696 Ų9654%0.53748%0.484SS..Hα-helixtrans-64.1-43.9178.6-168.866.4000112F832 D833 M834 N838 I839 I840F832-H836 VanDerWaalsContact O-CB 3.32Å; F832-H836 WeakPolarHBondContact O-CB 3.37Å; F832-H836 PolarHBondContact O-N 3.35Å; D833-H836 PolarHBondContact O-N 2.78Å; M834-H836 VanDerWaalsContact C-N 3.31Å; M834-H836 PolarHBondContact O-N 3.1Å; H836-N838 PolarHBondContact O-N 3.34Å; H836-I839 PolarHBondContact O-N 3.01Å; H836-I840 WeakPolarHBondContact O-CG1 3.32Å; H836-I840 PolarHBondContact O-N 2.67Å
837S94Very high92.7Very high66 Ų6696.8 Ų96.846%0.46249%0.485SS..Hα-helixtrans-59.5-42.7174-173.40000112.5D833 M834 I839 I840 T841D833-S837 WeakPolarHBondContact O-CB 3.48Å; D833-S837 PolarHBondContact O-N 3.11Å; M834-S837 PolarHBondContact O-N 3.42Å; S837-I839 PolarHBondContact O-N 3.1Å; S837-I840 PolarHBondContact O-N 2.95Å; S837-T841 WeakPolarHBondContact O-CB 3.33Å; S837-T841 PolarHBondContact O-N 3.19Å; S837-T841 PolarHBondContact O-OG1 3.07Å
838N94.3Very high93.2Very high90 Ų9098.9 Ų98.948%0.48149%0.491SS..Hα-helixtrans-63.2-41.1174.5-72.6-13.7000112M834 I835 H836 T841 I842M834-N838 PolarHBondContact O-N 3.3Å; I835-N838 PolarHBondContact O-N 2.9Å; H836-N838 PolarHBondContact O-N 3.34Å; N838-T841 PolarHBondContact O-N 3.01Å; N838-I842 VanDerWaalsContact O-CG1 3.3Å; N838-I842 WeakPolarHBondContact O-CG1 3.37Å; N838-I842 PolarHBondContact O-N 3.04Å
839I93Very high93.4Very high76 Ų76101.1 Ų101.139%0.3950%0.498SS..Hα-helixtrans-62.6-45.3175.7-70.5165.6000111.1I835 H836 S837 T841 I842 Q843I835-I839 HydrophobicContact CG2-CD1 3.87Å; I835-I839 WeakPolarHBondContact O-CG1 3.45Å; I835-I839 PolarHBondContact O-N 3.36Å; H836-I839 PolarHBondContact O-N 3.01Å; S837-I839 PolarHBondContact O-N 3.1Å; I839-T841 VanDerWaalsContact C-N 3.34Å; I839-T841 PolarHBondContact O-N 3.31Å; I839-I842 PolarHBondContact O-N 3.38Å; I839-Q843 HydrophobicContact CG2-CG 4.47Å; I839-Q843 WeakPolarHBondContact O-CG 3.43Å; I839-Q843 PolarHBondContact O-N 2.95Å
840I94Very high93.5Very high69 Ų6999.1 Ų99.135%0.35449%0.493SS..Hα-helixtrans-59-47.4175.7-68.2167.4000110H836 S837 I842 Q843 E844H836-I840 WeakPolarHBondContact O-CG1 3.32Å; H836-I840 PolarHBondContact O-N 2.67Å; S837-I840 PolarHBondContact O-N 2.95Å; I840-I842 VanDerWaalsContact C-N 3.3Å; I840-I842 PolarHBondContact O-N 3.29Å; I840-Q843 WeakPolarHBondContact O-CB 3.4Å; I840-Q843 PolarHBondContact O-N 3.32Å; I840-Q843 VanDerWaalsContact O-N 3.1Å; I840-E844 HydrophobicContact CG2-CG 4.48Å; I840-E844 WeakPolarHBondContact O-CG 3.37Å; I840-E844 PolarHBondContact O-N 2.8Å
841T93.2Very high93.7Very high59 Ų5997.3 Ų97.336%0.36248%0.484SS..Hα-helixtrans-59.2-39.6178.7-56.70000112.1S837 N838 I839 K845S837-T841 WeakPolarHBondContact O-CB 3.33Å; S837-T841 PolarHBondContact O-N 3.19Å; S837-T841 PolarHBondContact O-OG1 3.07Å; N838-T841 PolarHBondContact O-N 3.01Å; I839-T841 VanDerWaalsContact C-N 3.34Å; I839-T841 PolarHBondContact O-N 3.31Å; T841-K845 WeakPolarHBondContact O-CG 3.44Å; T841-K845 PolarHBondContact O-N 2.78Å
842I93.4Very high93.9Very high95 Ų9596.1 Ų96.149%0.48748%0.482SS..Hα-helixtrans-68.1-42.8175.3-69.7164.7000110.9N838 I839 I840 E844 K845 I846N838-I842 VanDerWaalsContact O-CG1 3.3Å; N838-I842 WeakPolarHBondContact O-CG1 3.37Å; N838-I842 PolarHBondContact O-N 3.04Å; I839-I842 PolarHBondContact O-N 3.38Å; I840-I842 VanDerWaalsContact C-N 3.3Å; I840-I842 PolarHBondContact O-N 3.29Å; I842-E844 VanDerWaalsContact C-N 3.34Å; I842-E844 PolarHBondContact O-N 2.77Å; I842-K845 PolarHBondContact O-N 2.9Å; I842-I846 HydrophobicContact CG2-CD1 3.8Å; I842-I846 HydrophobicContact CG2-CG1 4.44Å; I842-I846 VanDerWaalsContact O-CG1 3.31Å; I842-I846 WeakPolarHBondContact O-CG1 3.43Å; I842-I846 PolarHBondContact O-N 3.39Å
843Q94.4Very high94Very high121 Ų12195.6 Ų95.657%0.56548%0.477SS*.Hα-helixtrans-61.9-40176.4-72.31760.100112.1I839 I840 I846 K847I839-Q843 HydrophobicContact CG2-CG 4.47Å; I839-Q843 WeakPolarHBondContact O-CG 3.43Å; I839-Q843 PolarHBondContact O-N 2.95Å; I840-Q843 WeakPolarHBondContact O-CB 3.4Å; I840-Q843 PolarHBondContact O-N 3.32Å; I840-Q843 VanDerWaalsContact O-N 3.1Å; Q843-I846 PolarHBondContact O-N 3Å; Q843-K847 WeakPolarHBondContact O-CB 3.09Å; Q843-K847 PolarHBondContact O-N 2.73Å
844E94.5Very high94.1Very high114 Ų11496.4 Ų96.453%0.53348%0.478SS..Hα-helixtrans-65.5-43.7173.8-71.2-172.7162.900112.3I840 I842 I846 K847 N848I840-E844 HydrophobicContact CG2-CG 4.48Å; I840-E844 WeakPolarHBondContact O-CG 3.37Å; I840-E844 PolarHBondContact O-N 2.8Å; I842-E844 VanDerWaalsContact C-N 3.34Å; I842-E844 PolarHBondContact O-N 2.77Å; E844-I846 VanDerWaalsContact C-N 3.35Å; E844-I846 PolarHBondContact O-N 3.12Å; E844-K847 PolarHBondContact O-N 3.2Å; E844-N848 WeakPolarHBondContact O-CB 3.43Å; E844-N848 PolarHBondContact O-N 3.48Å; E844-N848 PolarHBondContact O-ND2 3.41Å
845K94.6Very high94.2Very high129 Ų12997.8 Ų97.856%0.56148%0.483SS*.Hα-helixtrans-58.5-45.1173.4-76.3177.3179.1-177.40111.7T841 I842 N848 F849T841-K845 WeakPolarHBondContact O-CG 3.44Å; T841-K845 PolarHBondContact O-N 2.78Å; I842-K845 PolarHBondContact O-N 2.9Å; K845-N848 PolarHBondContact O-N 3.23Å; K845-F849 WeakPolarHBondContact O-CB 3.47Å; K845-F849 PolarHBondContact O-N 3.4Å
846I94.3Very high94.3Very high93 Ų9398.5 Ų98.548%0.47749%0.485SS..Hα-helixtrans-62.4-46.1176.5-69.9167000110.8I842 Q843 E844 N848 F849 I850I842-I846 HydrophobicContact CG2-CD1 3.8Å; I842-I846 HydrophobicContact CG2-CG1 4.44Å; I842-I846 VanDerWaalsContact O-CG1 3.31Å; I842-I846 WeakPolarHBondContact O-CG1 3.43Å; I842-I846 PolarHBondContact O-N 3.39Å; Q843-I846 PolarHBondContact O-N 3Å; E844-I846 VanDerWaalsContact C-N 3.35Å; E844-I846 PolarHBondContact O-N 3.12Å; I846-N848 PolarHBondContact O-N 2.91Å; I846-F849 PolarHBondContact O-N 3.43Å; I846-I850 HydrophobicContact CG2-CD1 3.75Å; I846-I850 HydrophobicContact CG2-CG1 4.42Å; I846-I850 VanDerWaalsContact O-CG1 3.31Å; I846-I850 WeakPolarHBondContact O-CG1 3.4Å; I846-I850 PolarHBondContact O-N 3.39Å
847K94.9Very high94.4Very high137 Ų13798.4 Ų98.460%0.59649%0.487SS*.Hα-helixtrans-59.8-44.2177-176.2-178.5178.7-175.70111.8Q843 E844 I850 N851Q843-K847 WeakPolarHBondContact O-CB 3.09Å; Q843-K847 PolarHBondContact O-N 2.73Å; E844-K847 PolarHBondContact O-N 3.2Å; K847-I850 PolarHBondContact O-N 3.22Å; K847-N851 WeakPolarHBondContact O-CB 3.45Å; K847-N851 PolarHBondContact O-N 2.95Å; K847-N851 PolarHBondContact O-ND2 3.41Å; K847-N851 PolarHBondContact O-OD1 2.9Å
848N95.2Very high94.5Very high101 Ų10198.8 Ų98.854%0.5448%0.484SS..Hα-helixtrans-66.8-38.2178-69.7-23.2000112.1E844 K845 I846 S852E844-N848 WeakPolarHBondContact O-CB 3.43Å; E844-N848 PolarHBondContact O-N 3.48Å; E844-N848 PolarHBondContact O-ND2 3.41Å; K845-N848 PolarHBondContact O-N 3.23Å; I846-N848 PolarHBondContact O-N 2.91Å; N848-S852 WeakPolarHBondContact O-CB 3.33Å; N848-S852 PolarHBondContact O-N 3.05Å
849F94.3Very high94.5Very high126 Ų12698.1 Ų98.155%0.55348%0.484SS*.Hα-helixtrans-63.4-47.4173.7178.7-94.5000112K845 I846 S852 Y853K845-F849 WeakPolarHBondContact O-CB 3.47Å; K845-F849 PolarHBondContact O-N 3.4Å; I846-F849 PolarHBondContact O-N 3.43Å; F849-S852 PolarHBondContact O-N 2.83Å; F849-Y853 HydrophobicContact CD1-CD2 4.25Å; F849-Y853 HydrophobicContact CD2-CD2 4.34Å; F849-Y853 AromaticContact CE1-CD2 3.71Å; F849-Y853 HydrophobicContact CE1-CD2 3.71Å; F849-Y853 AromaticContact CE1-CE2 3.9Å; F849-Y853 HydrophobicContact CE1-CE2 3.9Å; F849-Y853 AromaticContact CE2-CD2 3.83Å; F849-Y853 HydrophobicContact CE2-CD2 3.83Å; F849-Y853 AromaticContact CE2-CE2 3.6Å; F849-Y853 HydrophobicContact CE2-CE2 3.6Å; F849-Y853 AromaticContact CZ-CD2 3.5Å; F849-Y853 HydrophobicContact CZ-CD2 3.5Å; F849-Y853 VanDerWaalsContact CZ-CD2 3.5Å; F849-Y853 AromaticContact CZ-CE2 3.24Å; F849-Y853 HydrophobicContact CZ-CE2 3.24Å; F849-Y853 PolarHBondContact O-N 2.81Å
850I95Very high94.6Very high92 Ų9298.9 Ų98.947%0.47249%0.492SS..Hα-helixtrans-58.6-49.7175.9-69.5167.4000110.3I846 K847 S852 Y853 E854I846-I850 HydrophobicContact CG2-CD1 3.75Å; I846-I850 HydrophobicContact CG2-CG1 4.42Å; I846-I850 VanDerWaalsContact O-CG1 3.31Å; I846-I850 WeakPolarHBondContact O-CG1 3.4Å; I846-I850 PolarHBondContact O-N 3.39Å; K847-I850 PolarHBondContact O-N 3.22Å; I850-S852 VanDerWaalsContact C-N 3.29Å; I850-S852 PolarHBondContact O-N 3.49Å; I850-Y853 PolarHBondContact O-N 2.96Å; I850-E854 WeakPolarHBondContact O-CB 3.49Å; I850-E854 PolarHBondContact O-N 3.44Å
851N94.6Very high94.7Very high66 Ų6699.9 Ų99.935%0.35350%0.497SS..Hα-helixtrans-58.3-39.8177.8-69.2-13.8000112.2K847 Q855K847-N851 WeakPolarHBondContact O-CB 3.45Å; K847-N851 PolarHBondContact O-N 2.95Å; K847-N851 PolarHBondContact O-ND2 3.41Å; K847-N851 PolarHBondContact O-OD1 2.9Å; N851-Q855 WeakPolarHBondContact O-CB 3.31Å; N851-Q855 VanDerWaalsContact O-CG 3.29Å; N851-Q855 WeakPolarHBondContact O-CG 3.5Å; N851-Q855 PolarHBondContact O-N 3.19Å
852S95Very high94.8Very high54 Ų54101.2 Ų101.238%0.37850%0.502SS..Hα-helixtrans-67.6-43.1177.2-171.30000112N848 F849 I850 Q855 Q856N848-S852 WeakPolarHBondContact O-CB 3.33Å; N848-S852 PolarHBondContact O-N 3.05Å; F849-S852 PolarHBondContact O-N 2.83Å; I850-S852 VanDerWaalsContact C-N 3.29Å; I850-S852 PolarHBondContact O-N 3.49Å; S852-Q855 PolarHBondContact O-N 3.11Å; S852-Q856 WeakPolarHBondContact O-CG 3.24Å; S852-Q856 PolarHBondContact O-N 3.48Å; S852-Q856 PolarHBondContact OG-NE2 3.47Å
853Y94.3Very high94.9Very high123 Ų123100.6 Ų100.648%0.48250%0.499SS..Hα-helixtrans-63.2-42.4175.1-109.4-91.2000112.1F849 I850 Q856 L857F849-Y853 HydrophobicContact CD1-CD2 4.25Å; F849-Y853 HydrophobicContact CD2-CD2 4.34Å; F849-Y853 AromaticContact CE1-CD2 3.71Å; F849-Y853 HydrophobicContact CE1-CD2 3.71Å; F849-Y853 AromaticContact CE1-CE2 3.9Å; F849-Y853 HydrophobicContact CE1-CE2 3.9Å; F849-Y853 AromaticContact CE2-CD2 3.83Å; F849-Y853 HydrophobicContact CE2-CD2 3.83Å; F849-Y853 AromaticContact CE2-CE2 3.6Å; F849-Y853 HydrophobicContact CE2-CE2 3.6Å; F849-Y853 AromaticContact CZ-CD2 3.5Å; F849-Y853 HydrophobicContact CZ-CD2 3.5Å; F849-Y853 VanDerWaalsContact CZ-CD2 3.5Å; F849-Y853 AromaticContact CZ-CE2 3.24Å; F849-Y853 HydrophobicContact CZ-CE2 3.24Å; F849-Y853 PolarHBondContact O-N 2.81Å; I850-Y853 PolarHBondContact O-N 2.96Å; Y853-Q856 PolarHBondContact O-N 3.26Å; Y853-L857 WeakPolarHBondContact O-CB 3.46Å; Y853-L857 WeakPolarHBondContact O-CG 3.25Å; Y853-L857 PolarHBondContact O-N 2.96Å
854E94.8Very high94.9Very high107 Ų107100.1 Ų100.150%0.550%0.497SS..Hα-helixtrans-62-43.3176.2-168.4-174.9158.200111.4I850 Q856 L857 N858I850-E854 WeakPolarHBondContact O-CB 3.49Å; I850-E854 PolarHBondContact O-N 3.44Å; E854-Q856 PolarHBondContact O-N 2.92Å; E854-L857 PolarHBondContact O-N 2.94Å; E854-N858 VanDerWaalsContact O-CB 3.29Å; E854-N858 WeakPolarHBondContact O-CB 3.47Å; E854-N858 VanDerWaalsContact O-CG 3.26Å; E854-N858 PolarHBondContact O-N 2.96Å; E854-N858 PolarHBondContact O-ND2 2.86Å
855Q94.8Very high95Very high131 Ų13198.8 Ų98.861%0.61249%0.494SS*.Hα-helixtrans-62.4-40.2174.3-74.9175.6800112.8N851 S852 T859N851-Q855 WeakPolarHBondContact O-CB 3.31Å; N851-Q855 VanDerWaalsContact O-CG 3.29Å; N851-Q855 WeakPolarHBondContact O-CG 3.5Å; N851-Q855 PolarHBondContact O-N 3.19Å; S852-Q855 PolarHBondContact O-N 3.11Å; Q855-T859 WeakPolarHBondContact O-CB 3.43Å; Q855-T859 PolarHBondContact O-N 3.38Å; Q855-T859 PolarHBondContact O-OG1 2.93Å
856Q95.1Very high95.1Very high103 Ų10398.5 Ų98.548%0.48149%0.492SS..Hα-helixtrans-66.4-45.3176-71.7176.14700111.7S852 Y853 E854 T859 T860S852-Q856 WeakPolarHBondContact O-CG 3.24Å; S852-Q856 PolarHBondContact O-N 3.48Å; S852-Q856 PolarHBondContact OG-NE2 3.47Å; Y853-Q856 PolarHBondContact O-N 3.26Å; E854-Q856 PolarHBondContact O-N 2.92Å; Q856-T859 PolarHBondContact O-N 3.35Å; Q856-T860 PolarHBondContact O-N 2.95Å; Q856-T860 PolarHBondContact O-OG1 3.32Å; Q856-T860 VanDerWaalsContact O-OG1 3.08Å
857L94.6Very high95.1Very high114 Ų11498.9 Ų98.960%0.59749%0.492SS*.Hα-helixtrans-61.6-46.7176.3-72.9170000111.7Y853 E854 T859 T860 L861Y853-L857 WeakPolarHBondContact O-CB 3.46Å; Y853-L857 WeakPolarHBondContact O-CG 3.25Å; Y853-L857 PolarHBondContact O-N 2.96Å; E854-L857 PolarHBondContact O-N 2.94Å; L857-T859 VanDerWaalsContact C-N 3.33Å; L857-T859 PolarHBondContact O-N 2.91Å; L857-T860 PolarHBondContact O-N 3.41Å; L857-L861 WeakPolarHBondContact O-CB 3.33Å; L857-L861 PolarHBondContact O-N 3.24Å
858N95.9Very high95.1Very high74 Ų7495.8 Ų95.840%0.39648%0.482SS..Hα-helixtrans-60.9-40.8176.1-75.9-28.9000111.8E854 L861 I862E854-N858 VanDerWaalsContact O-CB 3.29Å; E854-N858 WeakPolarHBondContact O-CB 3.47Å; E854-N858 VanDerWaalsContact O-CG 3.26Å; E854-N858 PolarHBondContact O-N 2.96Å; E854-N858 PolarHBondContact O-ND2 2.86Å; N858-L861 PolarHBondContact O-N 3.08Å; N858-I862 WeakPolarHBondContact O-CB 3.22Å; N858-I862 WeakPolarHBondContact O-CD1 3.44Å; N858-I862 VanDerWaalsContact O-CG1 3.23Å; N858-I862 WeakPolarHBondContact O-CG1 3.41Å; N858-I862 PolarHBondContact O-N 2.78Å
859T95.4Very high95.2Very high77 Ų7795.7 Ų95.747%0.47248%0.478SS..Hα-helixtrans-65.2-42.5176.7-58.10000111.6Q855 Q856 L857 N863Q855-T859 WeakPolarHBondContact O-CB 3.43Å; Q855-T859 PolarHBondContact O-N 3.38Å; Q855-T859 PolarHBondContact O-OG1 2.93Å; Q856-T859 PolarHBondContact O-N 3.35Å; L857-T859 VanDerWaalsContact C-N 3.33Å; L857-T859 PolarHBondContact O-N 2.91Å; T859-N863 WeakPolarHBondContact O-CB 3.43Å; T859-N863 VanDerWaalsContact O-CG 3.29Å; T859-N863 PolarHBondContact O-N 3.06Å; T859-N863 PolarHBondContact O-ND2 3.32Å
860T94.8Very high95.3Very high92 Ų9295.2 Ų95.256%0.56448%0.476SS*.Hα-helixtrans-63.9-43.7175.8-62.50000111.7Q856 L857 N863 Q864Q856-T860 PolarHBondContact O-N 2.95Å; Q856-T860 PolarHBondContact O-OG1 3.32Å; Q856-T860 VanDerWaalsContact O-OG1 3.08Å; L857-T860 PolarHBondContact O-N 3.41Å; T860-N863 PolarHBondContact O-N 2.9Å; T860-Q864 PolarHBondContact O-N 3.35Å
861L96Very high95.3Very high89 Ų8997.4 Ų97.447%0.46648%0.48SS..Hα-helixtrans-61.8-48.3176.9-176.164.6000111.5L857 N858 N863 Q864 D865L857-L861 WeakPolarHBondContact O-CB 3.33Å; L857-L861 PolarHBondContact O-N 3.24Å; N858-L861 PolarHBondContact O-N 3.08Å; L861-N863 PolarHBondContact O-N 3.27Å; L861-Q864 WeakPolarHBondContact O-CB 3.37Å; L861-Q864 PolarHBondContact O-N 3.03Å; L861-D865 PolarHBondContact O-N 3.46Å
862I95.8Very high95.3Very high88 Ų88100.1 Ų100.145%0.45149%0.49SS..Hα-helixtrans-57.9-37.5175.7-71.4165.2000111.5N858 K866N858-I862 WeakPolarHBondContact O-CB 3.22Å; N858-I862 WeakPolarHBondContact O-CD1 3.44Å; N858-I862 VanDerWaalsContact O-CG1 3.23Å; N858-I862 WeakPolarHBondContact O-CG1 3.41Å; N858-I862 PolarHBondContact O-N 2.78Å; I862-K866 HydrophobicContact CG2-CD 4.37Å; I862-K866 VanDerWaalsContact O-CG 3.29Å; I862-K866 WeakPolarHBondContact O-CG 3.4Å; I862-K866 PolarHBondContact O-N 3.32Å; I862-K866 VanDerWaalsContact O-N 3.1Å
863N94.6Very high95.4Very high82 Ų82103.1 Ų103.144%0.43950%0.497SS..Hα-helixtrans-72.6-36.4176.8-73-24.5000112.3T859 T860 L861 K866 Q867T859-N863 WeakPolarHBondContact O-CB 3.43Å; T859-N863 VanDerWaalsContact O-CG 3.29Å; T859-N863 PolarHBondContact O-N 3.06Å; T859-N863 PolarHBondContact O-ND2 3.32Å; T860-N863 PolarHBondContact O-N 2.9Å; L861-N863 PolarHBondContact O-N 3.27Å; N863-K866 PolarHBondContact O-N 2.76Å; N863-Q867 WeakPolarHBondContact O-CG 3.25Å; N863-Q867 PolarHBondContact O-N 2.91Å; N863-Q867 VanDerWaalsContact O-N 3.08Å
864Q95.5Very high95.5Very high111 Ų111102.9 Ų102.952%0.51950%0.498SS..Hα-helixtrans-64.7-42.6172.6-175.1174.4-5.200111.5T860 L861 K866 Q867 N868T860-Q864 PolarHBondContact O-N 3.35Å; L861-Q864 WeakPolarHBondContact O-CB 3.37Å; L861-Q864 PolarHBondContact O-N 3.03Å; Q864-K866 PolarHBondContact O-N 3.46Å; Q864-Q867 WeakPolarHBondContact O-CB 3.43Å; Q864-Q867 PolarHBondContact O-N 2.92Å; Q864-Q867 VanDerWaalsContact O-N 3.15Å; Q864-N868 VanDerWaalsContact O-CG 3.24Å; Q864-N868 PolarHBondContact O-N 3.14Å; Q864-N868 PolarHBondContact O-ND2 2.83Å
865D95.9Very high95.6Very high86 Ų86103 Ų10346%0.4650%0.501SS..Hα-helixtrans-63.1-41.6176.5-72.2-22.4000112L861 Q867 N868 E869L861-D865 PolarHBondContact O-N 3.46Å; D865-Q867 VanDerWaalsContact C-N 3.32Å; D865-Q867 PolarHBondContact O-N 3.45Å; D865-N868 PolarHBondContact O-N 3.41Å; D865-E869 WeakPolarHBondContact O-CB 3.48Å; D865-E869 PolarHBondContact O-N 3.35Å
866K95.8Very high95.7Very high122 Ų122101.8 Ų101.853%0.5350%0.499SS..Hα-helixtrans-61.3-38.1172.2-73.4168.6-174.8169.80112.8I862 N863 Q864 F870I862-K866 HydrophobicContact CG2-CD 4.37Å; I862-K866 VanDerWaalsContact O-CG 3.29Å; I862-K866 WeakPolarHBondContact O-CG 3.4Å; I862-K866 PolarHBondContact O-N 3.32Å; I862-K866 VanDerWaalsContact O-N 3.1Å; N863-K866 PolarHBondContact O-N 2.76Å; Q864-K866 PolarHBondContact O-N 3.46Å; K866-F870 WeakPolarHBondContact O-CB 3.47Å; K866-F870 PolarHBondContact O-N 3.26Å
867Q95.1Very high95.7Very high102 Ų102103.1 Ų103.148%0.47750%0.503SS..Hα-helixtrans-67.8-43.8175-71.8-69.1-18.300111.1N863 Q864 D865 E869 F870 Y871N863-Q867 WeakPolarHBondContact O-CG 3.25Å; N863-Q867 PolarHBondContact O-N 2.91Å; N863-Q867 VanDerWaalsContact O-N 3.08Å; Q864-Q867 WeakPolarHBondContact O-CB 3.43Å; Q864-Q867 PolarHBondContact O-N 2.92Å; Q864-Q867 VanDerWaalsContact O-N 3.15Å; D865-Q867 VanDerWaalsContact C-N 3.32Å; D865-Q867 PolarHBondContact O-N 3.45Å; Q867-E869 PolarHBondContact O-N 3.03Å; Q867-F870 WeakPolarHBondContact O-CB 3.39Å; Q867-F870 PolarHBondContact O-N 3.42Å; Q867-Y871 HydrophobicContact CB-CE2 4.23Å; Q867-Y871 WeakPolarHBondContact O-CD2 3.32Å; Q867-Y871 PolarHBondContact O-N 2.72Å
868N95.7Very high95.8Very high72 Ų72102.2 Ų102.239%0.38550%0.499SS..Hα-helixtrans-58.4-48.2174.6-68-23000111.1Q864 D865 F870 Y871 E872Q864-N868 VanDerWaalsContact O-CG 3.24Å; Q864-N868 PolarHBondContact O-N 3.14Å; Q864-N868 PolarHBondContact O-ND2 2.83Å; D865-N868 PolarHBondContact O-N 3.41Å; N868-F870 VanDerWaalsContact C-N 3.29Å; N868-F870 PolarHBondContact O-N 2.82Å; N868-Y871 PolarHBondContact O-N 2.86Å; N868-Y871 VanDerWaalsContact O-N 3.1Å; N868-E872 PolarHBondContact O-N 2.85Å
869E95.9Very high95.9Very high98 Ų98101 Ų10146%0.45849%0.494SS..Hα-helixtrans-59.7-37.9176.7-161.1-154.8-178.900112D865 Q867 K873D865-E869 WeakPolarHBondContact O-CB 3.48Å; D865-E869 PolarHBondContact O-N 3.35Å; Q867-E869 PolarHBondContact O-N 3.03Å; E869-K873 HydrophobicContact CG-CD 4.47Å; E869-K873 WeakPolarHBondContact O-CB 3.31Å; E869-K873 VanDerWaalsContact O-CG 3.26Å; E869-K873 WeakPolarHBondContact O-CG 3.36Å; E869-K873 PolarHBondContact O-N 2.83Å; E869-K873 WeakPolarHBondContact OE1-CE 3.47Å; E869-K873 IonicContact OE1-NZ 2.63Å; E869-K873 PolarHBondContact OE1-NZ 2.93Å; E869-K873 IonicContact OE2-NZ 2.97Å; E869-K873 PolarHBondContact OE2-NZ 3.19Å
870F96.1Very high95.9Very high117 Ų117104 Ų10451%0.51350%0.497SS..Hα-helixtrans-65.4-43.4173.3176.8-98.6000112.4K866 Q867 N868 K873 K874K866-F870 WeakPolarHBondContact O-CB 3.47Å; K866-F870 PolarHBondContact O-N 3.26Å; Q867-F870 WeakPolarHBondContact O-CB 3.39Å; Q867-F870 PolarHBondContact O-N 3.42Å; N868-F870 VanDerWaalsContact C-N 3.29Å; N868-F870 PolarHBondContact O-N 2.82Å; F870-K873 PolarHBondContact O-N 3.41Å; F870-K874 WeakPolarHBondContact O-CB 3.28Å; F870-K874 PolarHBondContact O-N 2.93Å
871Y94.8Very high96Very high137 Ų137103.4 Ų103.454%0.53749%0.489SS..Hα-helixtrans-64.9-40175.6-70.2-57.8000112.2Q867 N868 K874 L875Q867-Y871 HydrophobicContact CB-CE2 4.23Å; Q867-Y871 WeakPolarHBondContact O-CD2 3.32Å; Q867-Y871 PolarHBondContact O-N 2.72Å; N868-Y871 PolarHBondContact O-N 2.86Å; N868-Y871 VanDerWaalsContact O-N 3.1Å; Y871-K874 PolarHBondContact O-N 3.47Å; Y871-L875 WeakPolarHBondContact O-CB 3.5Å; Y871-L875 PolarHBondContact O-N 3.35Å
872E95.7Very high96Very high124 Ų124107.3 Ų107.358%0.57950%0.497SS*.Hα-helixtrans-63.1-45.9173.4-72.8-167.916400112N868 K874 L875 N876N868-E872 PolarHBondContact O-N 2.85Å; E872-K874 VanDerWaalsContact C-N 3.29Å; E872-K874 PolarHBondContact O-N 3.45Å; E872-L875 PolarHBondContact O-N 2.83Å; E872-N876 WeakPolarHBondContact O-CB 3.48Å; E872-N876 PolarHBondContact O-N 2.82Å; E872-N876 PolarHBondContact O-ND2 2.99Å; E872-N876 VanDerWaalsContact O-ND2 3.14Å
873K96.2Very high96.1Very high117 Ų117111 Ų11151%0.50951%0.505SS..Hα-helixtrans-57.8-41.6173.8-75.3167.1-176.3166.50111.6E869 F870 K877E869-K873 HydrophobicContact CG-CD 4.47Å; E869-K873 WeakPolarHBondContact O-CB 3.31Å; E869-K873 VanDerWaalsContact O-CG 3.26Å; E869-K873 WeakPolarHBondContact O-CG 3.36Å; E869-K873 PolarHBondContact O-N 2.83Å; E869-K873 WeakPolarHBondContact OE1-CE 3.47Å; E869-K873 IonicContact OE1-NZ 2.63Å; E869-K873 PolarHBondContact OE1-NZ 2.93Å; E869-K873 IonicContact OE2-NZ 2.97Å; E869-K873 PolarHBondContact OE2-NZ 3.19Å; F870-K873 PolarHBondContact O-N 3.41Å; K873-K877 WeakPolarHBondContact O-CB 3.45Å; K873-K877 PolarHBondContact O-N 2.95Å
874K96.8Very high96.2Very high117 Ų117111.8 Ų111.851%0.50951%0.506SS..Hα-helixtrans-66.4-42.5176.3-170.7176.6-178.9-179.90112.3F870 Y871 E872 K877 L878F870-K874 WeakPolarHBondContact O-CB 3.28Å; F870-K874 PolarHBondContact O-N 2.93Å; Y871-K874 PolarHBondContact O-N 3.47Å; E872-K874 VanDerWaalsContact C-N 3.29Å; E872-K874 PolarHBondContact O-N 3.45Å; K874-K877 PolarHBondContact O-N 3.06Å; K874-L878 HydrophobicContact CG-CD1 4.42Å; K874-L878 WeakPolarHBondContact O-CG 3.45Å; K874-L878 PolarHBondContact O-N 3.48Å
875L96.2Very high96.2Very high109 Ų109111.4 Ų111.457%0.57151%0.507SS*.Hα-helixtrans-65.1-41.7176.6-17962000111.8Y871 E872 L878 T879Y871-L875 WeakPolarHBondContact O-CB 3.5Å; Y871-L875 PolarHBondContact O-N 3.35Å; E872-L875 PolarHBondContact O-N 2.83Å; L875-L878 PolarHBondContact O-N 2.95Å; L875-T879 VanDerWaalsContact O-CB 3.31Å; L875-T879 WeakPolarHBondContact O-CB 3.38Å; L875-T879 PolarHBondContact O-N 2.87Å; L875-T879 PolarHBondContact O-OG1 3.27Å
876N96.9Very high96.3Very high106 Ų106110.3 Ų110.357%0.56750%0.501SS*.Hα-helixtrans-62.7-42.8175.1-77.5-38.1000111.6E872 T879 Y880E872-N876 WeakPolarHBondContact O-CB 3.48Å; E872-N876 PolarHBondContact O-N 2.82Å; E872-N876 PolarHBondContact O-ND2 2.99Å; E872-N876 VanDerWaalsContact O-ND2 3.14Å; N876-T879 PolarHBondContact O-N 2.72Å; N876-Y880 PolarHBondContact O-N 3.35Å
877K96.9Very high96.3Very high131 Ų131110.3 Ų110.357%0.5750%0.504SS*.Hα-helixtrans-60.5-50.2173.6179.7175.91711780112.1K873 K874 T879 Y880 E881K873-K877 WeakPolarHBondContact O-CB 3.45Å; K873-K877 PolarHBondContact O-N 2.95Å; K874-K877 PolarHBondContact O-N 3.06Å; K877-T879 VanDerWaalsContact C-N 3.28Å; K877-T879 PolarHBondContact O-N 3.37Å; K877-Y880 WeakPolarHBondContact O-CB 3.45Å; K877-Y880 PolarHBondContact O-N 2.84Å; K877-Y880 VanDerWaalsContact O-N 3.16Å; K877-E881 WeakPolarHBondContact CE-OE1 3.36Å; K877-E881 IonicContact NZ-OE1 3.82Å; K877-E881 WeakPolarHBondContact O-CG 3.48Å; K877-E881 PolarHBondContact O-N 3.22Å
878L96.8Very high96.4Very high95 Ų95114 Ų11450%0.49751%0.514SS..Hα-helixtrans-62.2-36177.8-72.1170.3000112.2K874 L875 E881 R882K874-L878 HydrophobicContact CG-CD1 4.42Å; K874-L878 WeakPolarHBondContact O-CG 3.45Å; K874-L878 PolarHBondContact O-N 3.48Å; L875-L878 PolarHBondContact O-N 2.95Å; L878-E881 PolarHBondContact O-N 2.95Å; L878-R882 WeakPolarHBondContact O-CB 3.37Å; L878-R882 PolarHBondContact O-N 3.45Å
879T96.9Very high96.4Very high49 Ų49115 Ų11530%0.30152%0.518SS..Hα-helixtrans-65.9-39.3175.4-60.60000111.5L875 N876 K877 R883L875-T879 VanDerWaalsContact O-CB 3.31Å; L875-T879 WeakPolarHBondContact O-CB 3.38Å; L875-T879 PolarHBondContact O-N 2.87Å; L875-T879 PolarHBondContact O-OG1 3.27Å; N876-T879 PolarHBondContact O-N 2.72Å; K877-T879 VanDerWaalsContact C-N 3.28Å; K877-T879 PolarHBondContact O-N 3.37Å; T879-R883 WeakPolarHBondContact O-CG 3.36Å; T879-R883 PolarHBondContact O-N 2.97Å; T879-R883 VanDerWaalsContact O-N 3.12Å
880Y96.5Very high96.4Very high139 Ų139114.9 Ų114.955%0.54552%0.52SS..Hα-helixtrans-65.9-47.3173.6178.1-92.3000112N876 K877 R882 R883 Q884N876-Y880 PolarHBondContact O-N 3.35Å; K877-Y880 WeakPolarHBondContact O-CB 3.45Å; K877-Y880 PolarHBondContact O-N 2.84Å; K877-Y880 VanDerWaalsContact O-N 3.16Å; Y880-R882 VanDerWaalsContact C-N 3.33Å; Y880-R882 PolarHBondContact O-N 2.95Å; Y880-R883 PolarHBondContact O-N 3.45Å; Y880-Q884 HydrophobicContact CD1-CG 4.32Å; Y880-Q884 HydrophobicContact CE1-CG 3.9Å; Y880-Q884 WeakPolarHBondContact O-CG 3.47Å; Y880-Q884 PolarHBondContact O-N 3.21Å; Y880-Q884 VanDerWaalsContact O-N 3.07Å; Y880-Q884 PolarHBondContact OH-NE2 3.05Å
881E96.6Very high96.4Very high81 Ų81113 Ų11338%0.37952%0.521SS..Hα-helixtrans-59.7-42.5176.7-72.7173.4177.800111.7K877 L878 R883 Q884 I885K877-E881 WeakPolarHBondContact CE-OE1 3.36Å; K877-E881 IonicContact NZ-OE1 3.82Å; K877-E881 WeakPolarHBondContact O-CG 3.48Å; K877-E881 PolarHBondContact O-N 3.22Å; L878-E881 PolarHBondContact O-N 2.95Å; E881-R883 PolarHBondContact O-N 2.97Å; E881-Q884 PolarHBondContact O-N 3.4Å; E881-I885 WeakPolarHBondContact O-CG1 3.46Å; E881-I885 PolarHBondContact O-N 2.93Å
882R96.3Very high96.5Very high170 Ų170110.2 Ų110.264%0.64252%0.515SS*.Hα-helixtrans-58.2-48.2173.4-179.9-179169.1-172.21.3112L878 Y880 Q884 I885 D886L878-R882 WeakPolarHBondContact O-CB 3.37Å; L878-R882 PolarHBondContact O-N 3.45Å; Y880-R882 VanDerWaalsContact C-N 3.33Å; Y880-R882 PolarHBondContact O-N 2.95Å; R882-Q884 VanDerWaalsContact C-N 3.27Å; R882-Q884 PolarHBondContact O-N 2.89Å; R882-I885 PolarHBondContact O-N 3.12Å; R882-I885 VanDerWaalsContact O-N 3.1Å; R882-D886 IonicContact NE-OD2 3.5Å; R882-D886 PolarHBondContact O-N 3.27Å
883R96.6Very high96.6Very high166 Ų166107.1 Ų107.163%0.62651%0.505SS*.Hα-helixtrans-59.3-37.6177.9-71174.1-165.2174.96.6112.2T879 Y880 E881 D886 M887T879-R883 WeakPolarHBondContact O-CG 3.36Å; T879-R883 PolarHBondContact O-N 2.97Å; T879-R883 VanDerWaalsContact O-N 3.12Å; Y880-R883 PolarHBondContact O-N 3.45Å; E881-R883 PolarHBondContact O-N 2.97Å; R883-D886 PolarHBondContact O-N 2.97Å; R883-M887 WeakPolarHBondContact O-CB 3.36Å; R883-M887 WeakPolarHBondContact O-CG 3.33Å; R883-M887 PolarHBondContact O-N 3.27Å
884Q96.4Very high96.6Very high99 Ų99105.5 Ų105.546%0.46350%0.499SS..Hα-helixtrans-66.1-39.9175.6-68.7-71.815.500112.1Y880 E881 R882 R888Y880-Q884 HydrophobicContact CD1-CG 4.32Å; Y880-Q884 HydrophobicContact CE1-CG 3.9Å; Y880-Q884 WeakPolarHBondContact O-CG 3.47Å; Y880-Q884 PolarHBondContact O-N 3.21Å; Y880-Q884 VanDerWaalsContact O-N 3.07Å; Y880-Q884 PolarHBondContact OH-NE2 3.05Å; E881-Q884 PolarHBondContact O-N 3.4Å; R882-Q884 VanDerWaalsContact C-N 3.27Å; R882-Q884 PolarHBondContact O-N 2.89Å; Q884-R888 WeakPolarHBondContact O-CB 3.38Å; Q884-R888 PolarHBondContact O-N 3.49Å
885I96.8Very high96.5Very high102 Ų102104.8 Ų104.852%0.52350%0.497SS..Hα-helixtrans-66.2-46.1174.6-67167000110.7E881 R882 M887 R888 I889E881-I885 WeakPolarHBondContact O-CG1 3.46Å; E881-I885 PolarHBondContact O-N 2.93Å; R882-I885 PolarHBondContact O-N 3.12Å; R882-I885 VanDerWaalsContact O-N 3.1Å; I885-M887 VanDerWaalsContact C-N 3.34Å; I885-M887 PolarHBondContact O-N 3.43Å; I885-R888 WeakPolarHBondContact O-CB 3.48Å; I885-R888 PolarHBondContact O-N 3Å; I885-R888 VanDerWaalsContact O-N 3.09Å; I885-I889 HydrophobicContact CG2-CD1 3.77Å; I885-I889 HydrophobicContact CG2-CG1 4.33Å; I885-I889 WeakPolarHBondContact O-CG1 3.46Å; I885-I889 PolarHBondContact O-N 2.91Å
886D96.5Very high96.5Very high64 Ų64104.3 Ų104.334%0.34249%0.494SS..Hα-helixtrans-58.6-44.7178-68.7-24.2000110.8R882 R883 R888 I889 I890R882-D886 IonicContact NE-OD2 3.5Å; R882-D886 PolarHBondContact O-N 3.27Å; R883-D886 PolarHBondContact O-N 2.97Å; D886-R888 PolarHBondContact O-N 2.91Å; D886-I889 PolarHBondContact O-N 3.48Å; D886-I890 WeakPolarHBondContact O-CG1 3.32Å; D886-I890 PolarHBondContact O-N 2.88Å
887M95.8Very high96.5Very high121 Ų121104.6 Ų104.660%0.59649%0.49SS*.Hα-helixtrans-61.8-39.1173.8-75.2-60.7-58.900113.1R883 I885 I890 S891R883-M887 WeakPolarHBondContact O-CB 3.36Å; R883-M887 WeakPolarHBondContact O-CG 3.33Å; R883-M887 PolarHBondContact O-N 3.27Å; I885-M887 VanDerWaalsContact C-N 3.34Å; I885-M887 PolarHBondContact O-N 3.43Å; M887-I890 PolarHBondContact O-N 3.39Å; M887-S891 PolarHBondContact O-N 2.9Å
888R97.1Very high96.4Very high181 Ų181103.9 Ų103.968%0.68349%0.489SS*.Hα-helixtrans-67-39.7175.7-174.6177.5-179.31770.6111.8Q884 I885 D886 S891 L892Q884-R888 WeakPolarHBondContact O-CB 3.38Å; Q884-R888 PolarHBondContact O-N 3.49Å; I885-R888 WeakPolarHBondContact O-CB 3.48Å; I885-R888 PolarHBondContact O-N 3Å; I885-R888 VanDerWaalsContact O-N 3.09Å; D886-R888 PolarHBondContact O-N 2.91Å; R888-S891 PolarHBondContact O-N 3.24Å; R888-L892 HydrophobicContact CG-CD1 4.08Å; R888-L892 WeakPolarHBondContact O-CB 3.48Å; R888-L892 WeakPolarHBondContact O-CG 3.42Å; R888-L892 PolarHBondContact O-N 2.98Å
889I96.3Very high96.4Very high91 Ų91104.9 Ų104.947%0.46749%0.49SS..Hα-helixtrans-63.6-44.6175.9-70.1168.3000110.3I885 D886 S891 L892 T893I885-I889 HydrophobicContact CG2-CD1 3.77Å; I885-I889 HydrophobicContact CG2-CG1 4.33Å; I885-I889 WeakPolarHBondContact O-CG1 3.46Å; I885-I889 PolarHBondContact O-N 2.91Å; D886-I889 PolarHBondContact O-N 3.48Å; I889-S891 PolarHBondContact O-N 3.46Å; I889-L892 PolarHBondContact O-N 3.2Å; I889-T893 VanDerWaalsContact O-CB 3.3Å; I889-T893 WeakPolarHBondContact O-CB 3.31Å; I889-T893 PolarHBondContact O-N 2.91Å; I889-T893 PolarHBondContact O-OG1 3.43Å
890I96.9Very high96.4Very high97 Ų97106.6 Ų106.650%0.49750%0.497SS..Hα-helixtrans-58.3-49.6175.5-69.2162.9000110.4D886 M887 L892 T893 E894D886-I890 WeakPolarHBondContact O-CG1 3.32Å; D886-I890 PolarHBondContact O-N 2.88Å; M887-I890 PolarHBondContact O-N 3.39Å; I890-L892 PolarHBondContact O-N 3.5Å; I890-T893 PolarHBondContact O-N 3.22Å; I890-E894 PolarHBondContact O-N 2.88Å
891S96.4Very high96.3Very high78 Ų78104.9 Ų104.955%0.54550%0.497SS..Hα-helixtrans-57.6-49.6178.9-1710000112.6M887 R888 I889 T893 E894 E895M887-S891 PolarHBondContact O-N 2.9Å; R888-S891 PolarHBondContact O-N 3.24Å; I889-S891 PolarHBondContact O-N 3.46Å; S891-T893 VanDerWaalsContact C-N 3.31Å; S891-T893 PolarHBondContact O-N 2.88Å; S891-E894 PolarHBondContact O-N 3.29Å; S891-E895 PolarHBondContact O-N 2.88Å
892L96.6Very high96.2Very high78 Ų78105.9 Ų105.941%0.40850%0.501SS..Hα-helixtrans-64.7-33.9177.2-70.8170.2000112.6R888 I889 I890 E895 I896R888-L892 HydrophobicContact CG-CD1 4.08Å; R888-L892 WeakPolarHBondContact O-CB 3.48Å; R888-L892 WeakPolarHBondContact O-CG 3.42Å; R888-L892 PolarHBondContact O-N 2.98Å; I889-L892 PolarHBondContact O-N 3.2Å; I890-L892 PolarHBondContact O-N 3.5Å; L892-E895 PolarHBondContact O-N 3.36Å; L892-I896 VanDerWaalsContact O-CG1 3.26Å; L892-I896 WeakPolarHBondContact O-CG1 3.39Å; L892-I896 PolarHBondContact O-N 3.39Å
893T97Very high96.2Very high58 Ų58102.4 Ų102.436%0.35650%0.495SS..Hα-helixtrans-67.4-40.3177.4-58.70000111.2I889 I890 S891 I896 K897I889-T893 VanDerWaalsContact O-CB 3.3Å; I889-T893 WeakPolarHBondContact O-CB 3.31Å; I889-T893 PolarHBondContact O-N 2.91Å; I889-T893 PolarHBondContact O-OG1 3.43Å; I890-T893 PolarHBondContact O-N 3.22Å; S891-T893 VanDerWaalsContact C-N 3.31Å; S891-T893 PolarHBondContact O-N 2.88Å; T893-I896 PolarHBondContact O-N 3.17Å; T893-K897 WeakPolarHBondContact O-CG 3.32Å; T893-K897 PolarHBondContact O-N 3.37Å
894E95.8Very high96.1Very high83 Ų8398.8 Ų98.839%0.38849%0.488SS..Hα-helixtrans-69.1-36.4173.5-65.8-52135.100112.3I890 S891 K897 Q898I890-E894 PolarHBondContact O-N 2.88Å; S891-E894 PolarHBondContact O-N 3.29Å; E894-K897 PolarHBondContact O-N 3.46Å; E894-K897 IonicContact OE1-NZ 2.64Å; E894-K897 PolarHBondContact OE1-NZ 3.5Å; E894-K897 WeakPolarHBondContact OE2-CD 3.41Å; E894-K897 IonicContact OE2-NZ 3.77Å; E894-Q898 WeakPolarHBondContact O-CG 3.37Å; E894-Q898 PolarHBondContact O-N 2.85Å
895E96.1Very high96Very high102 Ų10299.1 Ų99.148%0.47749%0.49SS..Hα-helixtrans-61-46.9171.9-171.6-178.4174.400111.4S891 L892 K897 Q898 K899S891-E895 PolarHBondContact O-N 2.88Å; L892-E895 PolarHBondContact O-N 3.36Å; E895-K897 PolarHBondContact O-N 3.36Å; E895-Q898 PolarHBondContact O-N 2.88Å; E895-K899 WeakPolarHBondContact O-CG 3.47Å; E895-K899 PolarHBondContact O-N 2.75Å
896I96.1Very high95.8Very high99 Ų9999.6 Ų99.651%0.50849%0.493SS..Hα-helixtrans-60.3-46.1176.9-69.8164.3000110.8L892 T893 Q898 K899 D900L892-I896 VanDerWaalsContact O-CG1 3.26Å; L892-I896 WeakPolarHBondContact O-CG1 3.39Å; L892-I896 PolarHBondContact O-N 3.39Å; T893-I896 PolarHBondContact O-N 3.17Å; I896-Q898 VanDerWaalsContact C-N 3.29Å; I896-Q898 PolarHBondContact O-N 3.02Å; I896-K899 PolarHBondContact O-N 2.97Å; I896-K899 VanDerWaalsContact O-N 3.08Å; I896-D900 PolarHBondContact O-N 2.8Å
897K96.3Very high95.7Very high112 Ų112102.3 Ų102.349%0.48750%0.502SS..Hα-helixtrans-56.8-41.3175.3-74.7170-178.71740112.5T893 E894 E895 L901T893-K897 WeakPolarHBondContact O-CG 3.32Å; T893-K897 PolarHBondContact O-N 3.37Å; E894-K897 PolarHBondContact O-N 3.46Å; E894-K897 IonicContact OE1-NZ 2.64Å; E894-K897 PolarHBondContact OE1-NZ 3.5Å; E894-K897 WeakPolarHBondContact OE2-CD 3.41Å; E894-K897 IonicContact OE2-NZ 3.77Å; E895-K897 PolarHBondContact O-N 3.36Å; K897-L901 WeakPolarHBondContact O-CB 3.42Å; K897-L901 PolarHBondContact O-N 2.86Å
898Q95.8Very high95.5Very high116 Ų116100 Ų10054%0.54249%0.494SS..Hα-helixtrans-66.2-39.6175.8-71.1176.423.200111.9E894 E895 I896 L901 Q902E894-Q898 WeakPolarHBondContact O-CG 3.37Å; E894-Q898 PolarHBondContact O-N 2.85Å; E895-Q898 PolarHBondContact O-N 2.88Å; I896-Q898 VanDerWaalsContact C-N 3.29Å; I896-Q898 PolarHBondContact O-N 3.02Å; Q898-L901 PolarHBondContact O-N 3.33Å; Q898-Q902 VanDerWaalsContact O-CG 3.32Å; Q898-Q902 WeakPolarHBondContact O-CG 3.34Å; Q898-Q902 PolarHBondContact O-N 3.34Å
899K95.8Very high95.2Very high117 Ų11795.7 Ų95.751%0.50948%0.484SS..Hα-helixtrans-66-41.9175-67.4-60.9-178.9-171.70112.5E895 I896 L901 Q902 N903E895-K899 WeakPolarHBondContact O-CG 3.47Å; E895-K899 PolarHBondContact O-N 2.75Å; I896-K899 PolarHBondContact O-N 2.97Å; I896-K899 VanDerWaalsContact O-N 3.08Å; K899-L901 VanDerWaalsContact C-N 3.34Å; K899-Q902 PolarHBondContact O-N 3.07Å; K899-N903 VanDerWaalsContact O-CB 3.31Å; K899-N903 WeakPolarHBondContact O-CB 3.47Å; K899-N903 PolarHBondContact O-N 2.89Å
900D96Very high94.9Very high85 Ų8597.4 Ų97.446%0.45549%0.488SS..Hα-helixtrans-65.4-38.6175.9-76.3-25.9000111.4I896 N903 N904I896-D900 PolarHBondContact O-N 2.8Å; D900-N903 PolarHBondContact O-N 2.87Å; D900-N904 WeakPolarHBondContact O-CB 3.38Å; D900-N904 VanDerWaalsContact O-CG 3.26Å; D900-N904 PolarHBondContact O-N 2.99Å; D900-N904 PolarHBondContact O-ND2 3.49Å
901L95.3Very high94.5Very high103 Ų10396.1 Ų96.154%0.53948%0.483SS..Hα-helixtrans-60.8-51.3172.4-176.763.6000111.3K897 Q898 K899 N903 N904 E905K897-L901 WeakPolarHBondContact O-CB 3.42Å; K897-L901 PolarHBondContact O-N 2.86Å; Q898-L901 PolarHBondContact O-N 3.33Å; K899-L901 VanDerWaalsContact C-N 3.34Å; L901-N903 VanDerWaalsContact C-N 3.28Å; L901-N903 PolarHBondContact O-N 2.86Å; L901-N904 PolarHBondContact O-N 2.84Å; L901-N904 VanDerWaalsContact O-N 3.15Å; L901-E905 WeakPolarHBondContact O-CG 3.38Å; L901-E905 PolarHBondContact O-N 3.17Å
902Q94.7Very high94.1Very high101 Ų10198.3 Ų98.347%0.47248%0.484SS..Hα-helixtrans-57.8-38.4175.8-73.7174-7.700112.5Q898 K899 L906Q898-Q902 VanDerWaalsContact O-CG 3.32Å; Q898-Q902 WeakPolarHBondContact O-CG 3.34Å; Q898-Q902 PolarHBondContact O-N 3.34Å; K899-Q902 PolarHBondContact O-N 3.07Å; Q902-L906 WeakPolarHBondContact O-CB 3.16Å; Q902-L906 PolarHBondContact O-N 2.88Å
903N95.2Very high93.5Very high97 Ų97100.4 Ų100.452%0.51950%0.495SS..Hα-helixtrans-70.2-38.3177.8-171.836.8000112K899 D900 L901 L906 K907K899-N903 VanDerWaalsContact O-CB 3.31Å; K899-N903 WeakPolarHBondContact O-CB 3.47Å; K899-N903 PolarHBondContact O-N 2.89Å; D900-N903 PolarHBondContact O-N 2.87Å; L901-N903 VanDerWaalsContact C-N 3.28Å; L901-N903 PolarHBondContact O-N 2.86Å; N903-L906 PolarHBondContact O-N 3.4Å; N903-K907 VanDerWaalsContact O-CB 3.31Å; N903-K907 WeakPolarHBondContact O-CB 3.33Å; N903-K907 PolarHBondContact O-N 3.5Å
904N95Very high92.7Very high90 Ų90103.7 Ų103.748%0.48151%0.51SS..Hα-helixtrans-67.2-39173.9-74.6-41.7000112.1D900 L901 K907 T908D900-N904 WeakPolarHBondContact O-CB 3.38Å; D900-N904 VanDerWaalsContact O-CG 3.26Å; D900-N904 PolarHBondContact O-N 2.99Å; D900-N904 PolarHBondContact O-ND2 3.49Å; L901-N904 PolarHBondContact O-N 2.84Å; L901-N904 VanDerWaalsContact O-N 3.15Å; N904-K907 PolarHBondContact O-N 2.83Å; N904-T908 WeakPolarHBondContact O-CB 3.3Å; N904-T908 PolarHBondContact O-N 2.87Å; N904-T908 PolarHBondContact O-OG1 2.92Å
905E93.8Very high91.5Very high107 Ų107106.7 Ų106.750%0.553%0.528SS..Hα-helixtrans-61.6-49.4171.4-71.6174.3166.400111.2L901 K907 T908 I909L901-E905 WeakPolarHBondContact O-CG 3.38Å; L901-E905 PolarHBondContact O-N 3.17Å; E905-K907 VanDerWaalsContact C-N 3.33Å; E905-K907 PolarHBondContact O-N 2.79Å; E905-T908 WeakPolarHBondContact O-CB 3.47Å; E905-T908 PolarHBondContact O-N 3.4Å; E905-T908 VanDerWaalsContact O-N 3.12Å; E905-I909 WeakPolarHBondContact O-CG1 3.46Å; E905-I909 PolarHBondContact O-N 3.46Å
906L93.8Very high89.9Confident112 Ų112105.1 Ų105.159%0.58653%0.528SS*.Hα-helixtrans-60.7-40.8177.9-176.964.7000112.2Q902 N903 I909 K910Q902-L906 WeakPolarHBondContact O-CB 3.16Å; Q902-L906 PolarHBondContact O-N 2.88Å; N903-L906 PolarHBondContact O-N 3.4Å; L906-I909 PolarHBondContact O-N 2.97Å; L906-K910 WeakPolarHBondContact O-CB 3.34Å; L906-K910 PolarHBondContact O-N 3.42Å
907K93.6Very high87.8Confident120 Ų120105.9 Ų105.952%0.52254%0.539SS..Hα-helixtrans-62.4-44.3173.6-175.9-178.5175.5-172.50111.3N903 N904 E905 I909 K910 D911N903-K907 VanDerWaalsContact O-CB 3.31Å; N903-K907 WeakPolarHBondContact O-CB 3.33Å; N903-K907 PolarHBondContact O-N 3.5Å; N904-K907 PolarHBondContact O-N 2.83Å; E905-K907 VanDerWaalsContact C-N 3.33Å; E905-K907 PolarHBondContact O-N 2.79Å; K907-I909 VanDerWaalsContact C-N 3.34Å; K907-I909 PolarHBondContact O-N 2.93Å; K907-K910 WeakPolarHBondContact O-CB 3.29Å; K907-K910 PolarHBondContact O-N 2.97Å; K907-D911 VanDerWaalsContact O-CG 3.28Å; K907-D911 PolarHBondContact O-N 2.91Å
908T91.1Very high85.8Confident72 Ų72109 Ų10944%0.44256%0.56SS.*Hα-helixtrans-60.7-43.2177-57.20000111.5N904 E905 D911 Q912N904-T908 WeakPolarHBondContact O-CB 3.3Å; N904-T908 PolarHBondContact O-N 2.87Å; N904-T908 PolarHBondContact O-OG1 2.92Å; E905-T908 WeakPolarHBondContact O-CB 3.47Å; E905-T908 PolarHBondContact O-N 3.4Å; E905-T908 VanDerWaalsContact O-N 3.12Å; T908-D911 PolarHBondContact O-N 2.94Å; T908-Q912 VanDerWaalsContact O-CG 3.31Å; T908-Q912 WeakPolarHBondContact O-CG 3.07Å; T908-Q912 PolarHBondContact O-N 3.39Å
909I91.3Very high83.3Confident91 Ų91118 Ų11847%0.46759%0.589SS.*Hα-helixtrans-62.9-44.2174.8-67164000110.9E905 L906 K907 D911 Q912 L913E905-I909 WeakPolarHBondContact O-CG1 3.46Å; E905-I909 PolarHBondContact O-N 3.46Å; L906-I909 PolarHBondContact O-N 2.97Å; K907-I909 VanDerWaalsContact C-N 3.34Å; K907-I909 PolarHBondContact O-N 2.93Å; I909-D911 PolarHBondContact O-N 2.86Å; I909-Q912 PolarHBondContact O-N 3.06Å; I909-L913 HydrophobicContact CG2-CD1 4.06Å; I909-L913 WeakPolarHBondContact O-CG 3.15Å; I909-L913 PolarHBondContact O-N 2.83Å
910K90.2Very high82.7Confident128 Ų128118.1 Ų118.156%0.55759%0.593SS**Hα-helixtrans-60.6-44.4177179.6-175.4174.4-175.80111.9L906 K907 L913 L914L906-K910 WeakPolarHBondContact O-CB 3.34Å; L906-K910 PolarHBondContact O-N 3.42Å; K907-K910 WeakPolarHBondContact O-CB 3.29Å; K907-K910 PolarHBondContact O-N 2.97Å; K910-L913 PolarHBondContact O-N 3.18Å; K910-L914 HydrophobicContact CG-CD1 4.25Å; K910-L914 WeakPolarHBondContact O-CG 3.48Å; K910-L914 PolarHBondContact O-N 2.71Å
911D89.5Confident82Confident70 Ų70119.8 Ų119.837%0.37460%0.6SS.*Hα-helixtrans-67.3-37.9-179.9-66.5-17.7000110.7K907 T908 I909 L914 L915K907-D911 VanDerWaalsContact O-CG 3.28Å; K907-D911 PolarHBondContact O-N 2.91Å; T908-D911 PolarHBondContact O-N 2.94Å; I909-D911 PolarHBondContact O-N 2.86Å; D911-L914 PolarHBondContact O-N 2.88Å; D911-L915 VanDerWaalsContact O-CD1 3.22Å; D911-L915 WeakPolarHBondContact O-CD1 3.43Å; D911-L915 PolarHBondContact O-N 2.83Å; D911-L915 VanDerWaalsContact O-N 3.08Å
912Q87.7Confident81.2Confident124 Ų124120.8 Ų120.858%0.57960%0.603SS**Hα-helixtrans-63.1-39.2171.4-72175.118.600113.3T908 I909 L915 S916T908-Q912 VanDerWaalsContact O-CG 3.31Å; T908-Q912 WeakPolarHBondContact O-CG 3.07Å; T908-Q912 PolarHBondContact O-N 3.39Å; I909-Q912 PolarHBondContact O-N 3.06Å; Q912-L915 PolarHBondContact O-N 2.84Å; Q912-S916 PolarHBondContact O-N 2.87Å; Q912-S916 PolarHBondContact O-OG 3.44Å
913L83.3Confident80.5Confident122 Ų122121.9 Ų121.964%0.63961%0.611SS**Hα-helixtrans-66.7-36.8175.5-74.7168.1000112I909 K910 S916I909-L913 HydrophobicContact CG2-CD1 4.06Å; I909-L913 WeakPolarHBondContact O-CG 3.15Å; I909-L913 PolarHBondContact O-N 2.83Å; K910-L913 PolarHBondContact O-N 3.18Å; L913-S916 WeakPolarHBondContact O-CB 3.27Å; L913-S916 PolarHBondContact O-N 3.25Å
914L79.9Confident79.5Confident126 Ų126123.5 Ų123.566%0.6662%0.617SS**Hα-helixtrans-72.3-29.2177.2-73.2170.9000113.5K910 D911 S916K910-L914 HydrophobicContact CG-CD1 4.25Å; K910-L914 WeakPolarHBondContact O-CG 3.48Å; K910-L914 PolarHBondContact O-N 2.71Å; D911-L914 PolarHBondContact O-N 2.88Å; L914-S916 VanDerWaalsContact C-N 3.34Å
915L71.5Confident78.5Confident147 Ų147125.7 Ų125.777%0.7763%0.626SS**Hα-helixtrans-81.8-11.1172.8-9083.7000113.6D911 Q912 P917D911-L915 VanDerWaalsContact O-CD1 3.22Å; D911-L915 WeakPolarHBondContact O-CD1 3.43Å; D911-L915 PolarHBondContact O-N 2.83Å; D911-L915 VanDerWaalsContact O-N 3.08Å; Q912-L915 PolarHBondContact O-N 2.84Å; L915-P917 WeakPolarHBondContact O-CD 3.43Å
916S61.5Low77.4Confident69 Ų69127.1 Ų127.148%0.48364%0.635SS.*SBendtrans-75.1120.3177.1-65.40000109.9Q912 L913 L914 I918Q912-S916 PolarHBondContact O-N 2.87Å; Q912-S916 PolarHBondContact O-OG 3.44Å; L913-S916 WeakPolarHBondContact O-CB 3.27Å; L913-S916 PolarHBondContact O-N 3.25Å; L914-S916 VanDerWaalsContact C-N 3.34Å; S916-I918 PolarHBondContact O-N 2.92Å
917P53Low76.1Confident115 Ų115128.2 Ų128.275%0.74764%0.639SS**PPolyproline II helixtrans-66.4121.2-179.926.6-33000109.8L915 R919L915-P917 WeakPolarHBondContact O-CD 3.43Å; P917-R919 PolarHBondContact O-N 3.27Å
918I54.9Low74.7Confident178 Ų178128.9 Ų128.991%0.91365%0.648SS**PPolyproline II helixtrans-55.8124.4167.8-59.7171.2000107.4S916S916-I918 PolarHBondContact O-N 2.92Å
919R42.5Very low73.2Confident305 Ų305134.1 Ų134.1100%1.15167%0.667SS**  trans-136.10-174.2-145.2-174.9-160.3-174.36.8110.7P917P917-R919 PolarHBondContact O-N 3.27Å

Retrieved 919 of 919 residues in 694.9 ms (Link to these results)