A0A076N9K6_MOUSE Loading...

Truncated Kidins220 isoform m6

AlphaFold DB , UniProt , Accession A0A076N9K6, Species MOUSE (Mus musculus, Mouse), Gene Kidins220, Length 650 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1V45.7Very low42.8Very low192 Ų192165.3 Ų165.3100%1.16488%0.877SS**  0101.50-176.90000109
2R42.7Very low42.3Very low254 Ų254157.9 Ų157.996%0.95887%0.87SS**  trans-147.945.1179.2-161.5-172.4-73-164.1-0.2111.1
3A46.3Very low41.9Very low101 Ų101158.9 Ų158.984%0.83587%0.872SS**  trans-159.971.1-179.600000109.2
4A44.6Very low41.4Very low94 Ų94154.8 Ų154.878%0.77787%0.87SS**  trans-160.470.2178.400000109.3
5R46.7Very low41Very low241 Ų241159 Ų15991%0.90987%0.869SS**  trans-140.480.6178.7-164.4-170.1-158.9-171.46.9109.9
6E43.9Very low41.5Very low186 Ų186155.3 Ų155.387%0.86986%0.855SS**  trans-168.3165.6162.9-113160.5-136.700109.7
7Q42.7Very low41.6Very low182 Ų182153.6 Ų153.685%0.8585%0.853SS**  trans61.974.3177.3-54.1-1686.500117.2
8I42.3Very low41.5Very low177 Ų177154.1 Ų154.191%0.90885%0.853SS**  -145.8130.7101.139.7171.2000109
9N36.1Very low41.5Very low157 Ų157152.4 Ų152.484%0.8485%0.849SS**  trans-147.596.7175.4-173.813.8000110.5
10I41.9Very low41.5Very low168 Ų168153.3 Ų153.386%0.86285%0.852SS**  trans-139.4115166.6-79.7161.3000101.3
11G38.6Very low41.3Very low66 Ų66154 Ų15468%0.6885%0.848SS**  87.3110.166.400000107.7
12G36.1Very low40.6Very low77 Ų77152.7 Ų152.779%0.79483%0.83SS**  cis142.874.39.100000109.2
13L37.3Very low40.2Very low171 Ų171145 Ų14590%0.89582%0.82SS**  trans-125.9121.4177.4-73174.1000109.3
14A35.3Very low39.9Very low101 Ų101145.8 Ų145.884%0.83582%0.817SS**PPolyproline II helixtrans-90.6134.817600000110.1
15Y35.5Very low40Very low218 Ų218147.2 Ų147.286%0.85582%0.818SS**PPolyproline II helixtrans-81.1136.7167.1-80.8-92.9000109.9
16P48Very low39.4Very low100 Ų100147 Ų14765%0.64982%0.817SS**PPolyproline II helixtrans-77.2141.5-177.330.8-34.7000111.8
17P43.5Very low39Very low127 Ų127143.7 Ų143.783%0.82581%0.812SS**PPolyproline II helixtrans-72.7132.2167.630.7-32.7000110
18L40.7Very low39.3Very low161 Ų161141.3 Ų141.384%0.84381%0.812SS**PPolyproline II helixtrans-86.1149172.8-70.1175.1000110.9
19P41.4Very low38.8Very low122 Ų122138.7 Ų138.779%0.79281%0.809SS**PPolyproline II helixtrans-83.6149.6-156.531.4-36.9000115.2
20L41.1Very low38.6Very low171 Ų171134.2 Ų134.290%0.89580%0.8SS**PPolyproline II helixtrans-91.3129166.1-100.3167.3000111
21H36.3Very low38Very low169 Ų169137.1 Ų137.178%0.78280%0.802SS**  trans-158.394.6160.4-144.363.6000106.9
22E32.2Very low37.6Very low164 Ų164138 Ų13877%0.76680%0.798SS**  73.5121.681-168.1171.9150.600113.6
23A33.2Very low37.5Very low91 Ų91142.6 Ų142.675%0.75280%0.799SS**  trans-146.9150.6170.100000109.8
24P41.3Very low37.8Very low119 Ų119139.8 Ų139.877%0.77379%0.79SS**  trans-96.3166.2-149.5-7.528.7000115.8
25P46.2Very low37.5Very low123 Ų123139 Ų13980%0.79978%0.784SS**  trans-81.5162.1-17433.9-37.4000114.7
26R33.2Very low37.4Very low237 Ų237133.7 Ų133.789%0.89478%0.779SS**  trans-149.8145.6163.3-157.2158.4-70.3141.12.3112
27P36.1Very low36.6Very low116 Ų116135.5 Ų135.575%0.75379%0.788SS**  trans-105.2-172.5-164.644.8-37.7000113.2
28P49.8Very low35.8Very low132 Ų132134.9 Ų134.986%0.85779%0.785SS**  trans-99.4164.4-155.839.2-37.2000117.2
29S31.1Very low35.2Very low122 Ų122132.8 Ų132.885%0.85378%0.784SS**  trans-165.1158.9157.8-165.30000108.4
30G31.1Very low34.6Very low63 Ų63132.5 Ų132.565%0.64979%0.785SS**  cis133.9117.8-7.700000113.8
31Y29.9Very low34Very low229 Ų229129.5 Ų129.590%0.89878%0.778SS**  trans79.1118.2157.3-115.3-115.1000123.2
32S30.4Very low33.7Very low84 Ų84126.5 Ų126.559%0.58778%0.783SS**  trans54.8126.1133.5-59.40000125.4
33Q34.6Very low33.7Very low175 Ų175124.6 Ų124.682%0.81879%0.787SS**  41.8152.6120.2-60.3-69.8-14.200120.9
34P44Very low33.5Very low111 Ų111130.1 Ų130.172%0.72180%0.795SS**  cis-149.7-179.226.345.2-24.7000119.7
35A28.2Very low33.1Very low85 Ų85131.6 Ų131.670%0.70280%0.796SS**  trans59.9111.9138.200000125.5
36S33.2Very low32.5Very low106 Ų106129 Ų12974%0.74179%0.792SS**  44.4119.6113.8-174.10000123.6
37V30.5Very low33.1Very low138 Ų138123.6 Ų123.684%0.83679%0.788SS**  trans-144104150.1-1760000107.3
38C26.8Very low33.2Very low114 Ų114127.4 Ų127.477%0.7779%0.793SS**  74135.886.5-62.80000116.6
39S28.8Very low32.9Very low117 Ų117126.9 Ų126.982%0.81879%0.789SS**  trans-92.7155-168.1-28.20000114.9
40S28.6Very low32.9Very low116 Ų116125 Ų12581%0.81179%0.79SS**  trans168.2163.1147.1-88.40000112
41S28.4Very low32.8Very low109 Ų109125.3 Ų125.376%0.76279%0.793SS**  cis-174.9133.6-25.9-890000107.5
42A29.8Very low33.2Very low106 Ų106121.4 Ų121.488%0.87679%0.792SS**  trans-159.39617000000112.5
43S31.8Very low33.6Very low123 Ų123124.2 Ų124.286%0.8681%0.806SS**  trans-91140168-54.60000110.5
44F30.5Very low33.5Very low207 Ų207121.2 Ų121.291%0.90880%0.804SS**  trans-140.5148.6159.9-163.6-102.1000110.8
45N32.9Very low33.4Very low150 Ų150121.8 Ų121.880%0.80281%0.807SS**  trans-101.3147.7-169.3-80.3-68.4000113
46G32.1Very low33.7Very low70 Ų70125.1 Ų125.172%0.72281%0.808SS**  trans-153.1135.6166.600000109.8
47P47.1Very low34.3Very low122 Ų122125.1 Ų125.179%0.79281%0.806SS**  trans-93.5147.8-164.334.7-35.5000116.2
48F36.8Very low34.5Very low197 Ų197125.8 Ų125.886%0.86480%0.8SS**  trans-11.8165.6154.3-54.5-74.9000121.2
49P43.4Very low34.7Very low120 Ų120125.9 Ų125.978%0.77980%0.802SS**  cis-134.8164.5-4.329.9-9.3000116.9
50G30.8Very low35.5Very low84 Ų84125.3 Ų125.387%0.86680%0.798SS**  97.4132.412500000120.1
51G30Very low35.7Very low69 Ų69130.1 Ų130.171%0.71180%0.8SS**  trans133.6125.5150.100000117.3
52V38Very low35.9Very low146 Ų146134.6 Ų134.689%0.88580%0.801SS**  trans44.793.7148.7-65.90000119.7
53V38.9Very low36.3Very low144 Ų144134.1 Ų134.187%0.87379%0.792SS**PPolyproline II helixtrans-77.9135.8144.9-177.70000108.1
54S33Very low36.4Very low112 Ų112131.9 Ų131.978%0.78379%0.787SS**PPolyproline II helixtrans-70134.7-177.8-59.90000113.2
55P41.7Very low36.6Very low122 Ų122130.4 Ų130.479%0.79279%0.788SS**PPolyproline II helixtrans-89.3157.3169.135.7-34000113.2
56Q35.3Very low37.3Very low155 Ų155128.6 Ų128.672%0.72479%0.788SS**PPolyproline II helixtrans-62.6173.8159.5-99.9-167.4-27.100112H58Q56-H58 PolarHBondContact NE2-NE2 3.29Å
57P44.7Very low37.5Very low107 Ų107128.1 Ų128.170%0.69578%0.783SS**  cis-145.6161.730.840.6-19.6000120.4
58H35.7Very low37.2Very low152 Ų152128.7 Ų128.770%0.70479%0.786SS**  trans29.1128.4138.3-63.1-115.7000121.5Q56Q56-H58 PolarHBondContact NE2-NE2 3.29Å
59S30.5Very low37.5Very low115 Ų115127.1 Ų127.180%0.80478%0.781SS**  trans-146.6139.1138-174.20000110.5
60S44.5Very low37.1Very low105 Ų105127.9 Ų127.973%0.73478%0.775SS**  trans-139.196.8178.157.10000109.6
61Y34.1Very low37.9Very low218 Ų218129 Ų12986%0.85577%0.767SS**  trans-146.5140.5178.3-99.2-80.3000113.2
62Y32.4Very low38.4Very low202 Ų202133.8 Ų133.879%0.79277%0.768SS**  trans79.285.5155-139.3-93.6000120.9
63S37.7Very low38.5Very low97 Ų97136.7 Ų136.768%0.67876%0.764SS**  42.9106.4120.4-51.70000121.4
64G33.4Very low38.4Very low75 Ų75135.7 Ų135.777%0.77375%0.754SS**  86137.8108.600000120.2
65L35.5Very low38.8Very low176 Ų176141.2 Ų141.292%0.92176%0.758SS**  -169.6166.1125.8-102.4166.6000110.8
66S47.1Very low38.6Very low113 Ų113139 Ų13979%0.7975%0.75SS**  trans-73.5137.9-172.451.80000114.7
67G37.8Very low39Very low60 Ų60137.1 Ų137.162%0.61975%0.754SS**  trans-116.9144.9158.700000110.7Q69G67-Q69 PolarHBondContact O-N 2.78Å
68P40Very low38.8Very low134 Ų134136.7 Ų136.787%0.8775%0.749SS**PPolyproline II helixtrans-72.7124.2-173.728.7-34.2000112.1
69Q42.3Very low39Very low163 Ų163134.9 Ų134.976%0.76275%0.751SS**PPolyproline II helixtrans-77.7141.2172.3-66.8-176.2-5.400110.9G67G67-Q69 PolarHBondContact O-N 2.78Å
70H35.9Very low39.3Very low137 Ų137132.9 Ų132.963%0.63474%0.742SS**PPolyproline II helixtrans-63136174.9-98.2-116.1000111.3F72H70-F72 PolarHBondContact O-N 3.36Å; H70-F72 VanDerWaalsContact O-N 3.13Å
71P46.8Very low39.1Very low108 Ų108135.1 Ų135.170%0.70175%0.751SS**THydrogen-bonded Turntrans-72.5-4.8-176.929.8-36.1000114.5
72F41Very low39.6Very low168 Ų168127.3 Ų127.374%0.73774%0.736SS**THydrogen-bonded Turntrans-89.9-15.4-169.6-68.7-76.3000115.6H70H70-F72 PolarHBondContact O-N 3.36Å; H70-F72 VanDerWaalsContact O-N 3.13Å
73Y39.9Very low40.5Very low207 Ų207123.5 Ų123.581%0.81274%0.735SS**SBendtrans-101.9-1.8-175.3-68.8-66.3000115
74N36.2Very low41.9Very low123 Ų123124 Ų12466%0.65874%0.738SS**  trans-103.161.2172.8-84.4-54.4000111.4A76N74-A76 PolarHBondContact O-N 2.63Å
75R42.7Very low44.3Very low228 Ų228124.3 Ų124.386%0.8672%0.721SS**  trans-70.393.7152.3-174177.1-173.8-168.6-1.6106.2S77R75-S77 PolarHBondContact O-N 3.29Å
76A36.9Very low46.9Very low75 Ų75119.3 Ų119.362%0.6270%0.695SS**  trans-57.4115-179.100000109.6N74 V78N74-A76 PolarHBondContact O-N 2.63Å; A76-V78 PolarHBondContact O-N 3.22Å
77S44.1Very low49.2Very low117 Ų117114.1 Ų114.182%0.81866%0.659SS**  trans-65.692.4158.2-176.20000106.4R75 P79R75-S77 PolarHBondContact O-N 3.29Å; S77-P79 WeakPolarHBondContact O-CD 3.2Å
78V41Very low51.9Low97 Ų97112.9 Ų112.959%0.58864%0.641SS**  trans-55.8124.9172.1178.30000106.1A76 A80A76-V78 PolarHBondContact O-N 3.22Å; V78-A80 PolarHBondContact O-N 3.14Å
79P38.3Very low54.5Low114 Ų114109.7 Ų109.774%0.7462%0.621SS**  trans-73.174.8179.530.5-35000109.2S77 T81S77-P79 WeakPolarHBondContact O-CD 3.2Å; P79-T81 PolarHBondContact O-N 3.32Å
80A38.4Very low57.1Low74 Ų74102.2 Ų102.261%0.61259%0.587SS**  trans-62.2104.2170.900000107.3V78 G82V78-A80 PolarHBondContact O-N 3.14Å; A80-G82 PolarHBondContact O-N 3Å
81T40.4Very low60Low152 Ų15299.1 Ų99.193%0.93358%0.578SS**  trans-72.66417645.10000110.4P79P79-T81 PolarHBondContact O-N 3.32Å
82G44.8Very low62.5Low53 Ų5395 Ų9555%0.54655%0.551SS.*SBendtrans-140.8128174.400000108.3A80A80-G82 PolarHBondContact O-N 3Å
83T50.3Low65.2Low123 Ų12391.3 Ų91.376%0.75554%0.538SS*.  trans-52.6143.5165.840.80000109.6L85T83-L85 PolarHBondContact O-N 2.87Å
84S66.7Low67.9Low108 Ų10884.2 Ų84.276%0.75551%0.514SS*.  trans-65.584176.3-64.60000110.6L86S84-L86 PolarHBondContact O-N 2.98Å
85L83.5Confident70.8Confident80 Ų8078.5 Ų78.542%0.41948%0.483SS..  trans-64.5116.5176.9-82.4161.4000109.2T83 L87 M90 M156T83-L85 PolarHBondContact O-N 2.87Å; L85-L87 PolarHBondContact O-N 3.27Å; L85-M90 HydrophobicContact CB-CE 3.69Å; L85-M156 WeakPolarHBondContact O-CE 3.11Å
86L90.9Very high73.5Confident72 Ų7267.8 Ų67.838%0.37744%0.443SS..  trans-51.5133.9172.5-85.975000110S84 S88 S89 E160 V163S84-L86 PolarHBondContact O-N 2.98Å; L86-S88 VanDerWaalsContact C-N 3.32Å; L86-S88 PolarHBondContact O-N 3.1Å; L86-S89 WeakPolarHBondContact O-CB 3.45Å; L86-S89 PolarHBondContact O-N 2.88Å; L86-S89 PolarHBondContact O-OG 2.98Å; L86-E160 WeakPolarHBondContact CB-OE1 3.5Å; L86-E160 HydrophobicContact CD2-CG 4.46Å; L86-E160 HydrophobicContact CG-CG 4.4Å; L86-V163 HydrophobicContact CD1-CG1 3.95Å; L86-V163 HydrophobicContact CD2-CG1 4.29Å; L86-V163 HydrophobicContact CG-CG1 4.26Å
87L94.6Very high76.3Confident3 Ų368.2 Ų68.22%0.01643%0.433CS..G310 helixtrans-55.7-46.6-175-179.660.1000111.3L85 S89 M90 G124 L127 A128 M156 R157 E160L85-L87 PolarHBondContact O-N 3.27Å; L87-S89 PolarHBondContact O-N 2.92Å; L87-M90 HydrophobicContact CD1-SD 4.35Å; L87-M90 PolarHBondContact O-N 3.31Å; L87-M90 VanDerWaalsContact O-N 3.08Å; L87-G124 CarbonylContact O-C 3.57Å; L87-G124 VanDerWaalsContact O-C 3.24Å; L87-G124 WeakPolarHBondContact O-CA 3.4Å; L87-L127 HydrophobicContact CD1-CB 4.04Å; L87-L127 HydrophobicContact CD2-CB 4.28Å; L87-L127 HydrophobicContact CG-CB 4.34Å; L87-A128 HydrophobicContact CD2-CB 4.18Å; L87-A128 HydrophobicContact CG-CB 4.29Å; L87-M156 HydrophobicContact CB-CB 4.13Å; L87-M156 HydrophobicContact CB-CE 4.06Å; L87-M156 HydrophobicContact CD1-CB 4.09Å; L87-M156 HydrophobicContact CD1-CE 4.07Å; L87-M156 HydrophobicContact CD1-SD 4.01Å; L87-M156 HydrophobicContact CD2-CB 3.91Å; L87-M156 HydrophobicContact CG-CB 4.26Å; L87-R157 HydrophobicContact CD2-CG 3.76Å; L87-E160 WeakPolarHBondContact CB-OE2 3.46Å; L87-E160 PolarHBondContact N-OE1 2.93Å
88S95.1Very high78.8Confident35 Ų3565.8 Ų65.825%0.24541%0.407CS..G310 helixtrans-62.6-12.2178.473.60000115.9L86 E160L86-S88 VanDerWaalsContact C-N 3.32Å; L86-S88 PolarHBondContact O-N 3.1Å; S88-E160 WeakPolarHBondContact CB-OE1 3.33Å; S88-E160 VanDerWaalsContact N-CD 3.34Å; S88-E160 PolarHBondContact N-OE1 2.82Å; S88-E160 PolarHBondContact N-OE2 3.41Å; S88-E160 PolarHBondContact OG-OE1 3.16Å
89S94.9Very high81.5Confident66 Ų6661.2 Ų61.246%0.46238%0.379SS..G310 helixtrans-88.7-15.9176.476.90000114.2L86 L87L86-S89 WeakPolarHBondContact O-CB 3.45Å; L86-S89 PolarHBondContact O-N 2.88Å; L86-S89 PolarHBondContact O-OG 2.98Å; L87-S89 PolarHBondContact O-N 2.92Å
90M96.1Very high84.3Confident7 Ų761.2 Ų61.23%0.03437%0.365CS..  trans-72.3131.1-172.3-63.3-169.5159.900112.9L85 L87 I94 V95 K98 G124 M156L85-M90 HydrophobicContact CB-CE 3.69Å; L87-M90 HydrophobicContact CD1-SD 4.35Å; L87-M90 PolarHBondContact O-N 3.31Å; L87-M90 VanDerWaalsContact O-N 3.08Å; M90-I94 HydrophobicContact CB-CB 4.16Å; M90-I94 HydrophobicContact CB-CG2 3.93Å; M90-I94 HydrophobicContact CE-CG2 3.94Å; M90-I94 HydrophobicContact CG-CB 4.47Å; M90-I94 HydrophobicContact CG-CG2 3.71Å; M90-I94 HydrophobicContact SD-CG2 3.77Å; M90-V95 HydrophobicContact CB-CG2 3.98Å; M90-K98 HydrophobicContact CE-CD 4.37Å; M90-K98 HydrophobicContact CE-CG 3.94Å; M90-K98 HydrophobicContact SD-CG 4.09Å; M90-G124 WeakPolarHBondContact O-CA 3.47Å; M90-G124 PolarHBondContact O-N 3.4Å; M90-M156 HydrophobicContact CE-CE 3.31Å; M90-M156 HydrophobicContact CE-SD 4.06Å; M90-M156 HydrophobicContact SD-CE 3.78Å; M90-M156 HydrophobicContact SD-SD 4.16Å
91T97.8Very high87Confident72 Ų7263 Ų6344%0.44236%0.361SS..  trans-73.9165.5167.565.60000110.8D93 I94 V95T91-D93 PolarHBondContact O-N 2.94Å; T91-I94 HydrophobicContact CG2-CD1 4.46Å; T91-I94 PolarHBondContact O-N 3.21Å; T91-I94 VanDerWaalsContact O-N 3.1Å; T91-I94 WeakPolarHBondContact OG1-CG1 3.47Å; T91-I94 PolarHBondContact OG1-N 3.25Å; T91-V95 WeakPolarHBondContact O-CG2 3.4Å; T91-V95 PolarHBondContact O-N 3.47Å
92V98.3Very high89.7Confident22 Ų2257 Ų5713%0.13332%0.322CS..Hα-helixtrans-53.8-41176.6-176.10000111.7V95 C96 I117 K118 N121 N123V92-V95 WeakPolarHBondContact O-CB 3.33Å; V92-V95 PolarHBondContact O-N 2.85Å; V92-C96 PolarHBondContact O-N 3.3Å; V92-C96 PolarHBondContact O-SG 2.88Å; V92-C96 VanDerWaalsContact O-SG 3.4Å; V92-I117 HydrophobicContact CG1-CG2 3.73Å; V92-K118 HydrophobicContact CG1-CB 4.36Å; V92-K118 HydrophobicContact CG1-CG 3.69Å; V92-N121 WeakPolarHBondContact CG2-OD1 3.36Å; V92-N123 HydrophobicContact CG2-CB 3.88Å
93D98.1Very high92.2Very high90 Ų9062 Ų6248%0.48133%0.332SS..Hα-helixtrans-68.6-37.7177.7-60.2-80.4000113.1T91 V95 C96 E97 K118T91-D93 PolarHBondContact O-N 2.94Å; D93-V95 VanDerWaalsContact C-N 3.29Å; D93-V95 PolarHBondContact O-N 3.25Å; D93-C96 WeakPolarHBondContact O-CB 3.43Å; D93-C96 PolarHBondContact O-N 3.35Å; D93-E97 PolarHBondContact O-N 3.04Å; D93-K118 WeakPolarHBondContact OD1-CE 3.49Å; D93-K118 IonicContact OD1-NZ 2.66Å; D93-K118 PolarHBondContact OD1-NZ 3.49Å
94I97.2Very high94.3Very high58 Ų5859.9 Ų59.930%0.29733%0.333SS..Hα-helixtrans-65.4-36.3173.9-63.8169.2000110.3M90 T91 E97 K98M90-I94 HydrophobicContact CB-CB 4.16Å; M90-I94 HydrophobicContact CB-CG2 3.93Å; M90-I94 HydrophobicContact CE-CG2 3.94Å; M90-I94 HydrophobicContact CG-CB 4.47Å; M90-I94 HydrophobicContact CG-CG2 3.71Å; M90-I94 HydrophobicContact SD-CG2 3.77Å; T91-I94 HydrophobicContact CG2-CD1 4.46Å; T91-I94 PolarHBondContact O-N 3.21Å; T91-I94 VanDerWaalsContact O-N 3.1Å; T91-I94 WeakPolarHBondContact OG1-CG1 3.47Å; T91-I94 PolarHBondContact OG1-N 3.25Å; I94-E97 PolarHBondContact O-N 2.91Å; I94-K98 WeakPolarHBondContact O-CB 3.45Å; I94-K98 PolarHBondContact O-N 2.77Å
95V97.6Very high95.8Very high2 Ų255.7 Ų55.71%0.01230%0.303CS..Hα-helixtrans-65-39.9172.8174.30000111.4M90 T91 V92 D93 K98 L99 I117 L127M90-V95 HydrophobicContact CB-CG2 3.98Å; T91-V95 WeakPolarHBondContact O-CG2 3.4Å; T91-V95 PolarHBondContact O-N 3.47Å; V92-V95 WeakPolarHBondContact O-CB 3.33Å; V92-V95 PolarHBondContact O-N 2.85Å; D93-V95 VanDerWaalsContact C-N 3.29Å; D93-V95 PolarHBondContact O-N 3.25Å; V95-K98 PolarHBondContact O-N 3.4Å; V95-L99 PolarHBondContact O-N 3.02Å; V95-I117 HydrophobicContact CB-CG2 4.47Å; V95-I117 HydrophobicContact CG1-CD1 4.18Å; V95-I117 HydrophobicContact CG1-CG2 4.06Å; V95-L127 HydrophobicContact CB-CD1 4.39Å; V95-L127 HydrophobicContact CG1-CD1 3.49Å; V95-L127 VanDerWaalsContact CG1-CD1 3.49Å; V95-L127 HydrophobicContact CG2-CD1 3.91Å
96C97.9Very high96.4Very high4 Ų455 Ų553%0.02730%0.3CS..Hα-helixtrans-63.2-41.6172.6-68.10000112.7V92 D93 L99 R100 I117V92-C96 PolarHBondContact O-N 3.3Å; V92-C96 PolarHBondContact O-SG 2.88Å; V92-C96 VanDerWaalsContact O-SG 3.4Å; D93-C96 WeakPolarHBondContact O-CB 3.43Å; D93-C96 PolarHBondContact O-N 3.35Å; C96-L99 PolarHBondContact O-N 2.56Å; C96-R100 PolarHBondContact O-N 2.86Å; C96-I117 VanDerWaalsContact SG-CG2 3.6Å
97E96.9Very high96.6Very high84 Ų8457.6 Ų57.639%0.39331%0.31SS..Hα-helixtrans-69.1-32.5175.4-69.7-49.9120.700112.5D93 I94 R100 Q101D93-E97 PolarHBondContact O-N 3.04Å; I94-E97 PolarHBondContact O-N 2.91Å; E97-R100 VanDerWaalsContact CD-NE 3.34Å; E97-R100 WeakPolarHBondContact O-CB 3.42Å; E97-R100 PolarHBondContact O-N 3.37Å; E97-R100 IonicContact OE1-CZ 3.16Å; E97-R100 VanDerWaalsContact OE1-CZ 3.29Å; E97-R100 IonicContact OE1-NE 3.17Å; E97-R100 PolarHBondContact OE1-NE 2.88Å; E97-R100 VanDerWaalsContact OE1-NE 3.08Å; E97-R100 IonicContact OE1-NH2 2.75Å; E97-R100 PolarHBondContact OE1-NH2 3.08Å; E97-R100 WeakPolarHBondContact OE2-CD 3.39Å; E97-R100 IonicContact OE2-CZ 2.66Å; E97-R100 IonicContact OE2-NE 3.29Å; E97-R100 PolarHBondContact OE2-NE 2.68Å; E97-R100 IonicContact OE2-NH2 3.93Å; E97-Q101 VanDerWaalsContact O-CG 3.3Å; E97-Q101 WeakPolarHBondContact O-CG 3.26Å; E97-Q101 PolarHBondContact O-N 3.06Å
98K95.9Very high96.8Very high66 Ų6660.4 Ų60.429%0.28734%0.339SS..Hα-helixtrans-67.6-39.7171.2-81.2-74.1165.1-159.40112.3M90 I94 V95 R100 Q101 M152M90-K98 HydrophobicContact CE-CD 4.37Å; M90-K98 HydrophobicContact CE-CG 3.94Å; M90-K98 HydrophobicContact SD-CG 4.09Å; I94-K98 WeakPolarHBondContact O-CB 3.45Å; I94-K98 PolarHBondContact O-N 2.77Å; V95-K98 PolarHBondContact O-N 3.4Å; K98-R100 VanDerWaalsContact C-N 3.28Å; K98-R100 PolarHBondContact O-N 3.1Å; K98-Q101 WeakPolarHBondContact O-CB 3.48Å; K98-Q101 PolarHBondContact O-N 3.5Å; K98-M152 HydrophobicContact CB-CE 4.28Å; K98-M152 HydrophobicContact CB-SD 3.97Å
99L97.4Very high96.9Very high0 Ų061.9 Ų61.90%034%0.343CS..Hα-helixtrans-59.7-38.8171.6-170.476.9000112V95 C96 Q101 I102 L105 L110 Y113 I117 M141 F149V95-L99 PolarHBondContact O-N 3.02Å; C96-L99 PolarHBondContact O-N 2.56Å; L99-Q101 PolarHBondContact O-N 3.08Å; L99-I102 HydrophobicContact CD1-CD1 3.99Å; L99-I102 WeakPolarHBondContact O-CB 3.44Å; L99-I102 PolarHBondContact O-N 3.27Å; L99-L105 HydrophobicContact CD1-CD1 3.7Å; L99-L105 HydrophobicContact CG-CD1 4.12Å; L99-L110 HydrophobicContact CB-CD1 4.23Å; L99-L110 HydrophobicContact CD2-CD1 3.51Å; L99-L110 HydrophobicContact CG-CD1 3.62Å; L99-Y113 HydrophobicContact CD2-CD2 4.44Å; L99-Y113 HydrophobicContact CD2-CG 4.49Å; L99-I117 HydrophobicContact CB-CD1 4.33Å; L99-I117 HydrophobicContact CD2-CD1 3.7Å; L99-I117 HydrophobicContact CG-CD1 4.46Å; L99-M141 HydrophobicContact CD1-CE 3.77Å; L99-M141 HydrophobicContact CD2-CE 4.32Å; L99-F149 HydrophobicContact CD1-CB 4.28Å; L99-F149 HydrophobicContact CD1-CD2 3.38Å; L99-F149 HydrophobicContact CD1-CE2 3.91Å; L99-F149 HydrophobicContact CD1-CG 4.02Å
100R97.1Very high97Very high114 Ų11458.9 Ų58.943%0.4332%0.322SS..Hα-helixtrans-65.5-23.4174.9-168.6-171.5-44.8-61.8-4113.4C96 E97 K98 I102 L110C96-R100 PolarHBondContact O-N 2.86Å; E97-R100 VanDerWaalsContact CD-NE 3.34Å; E97-R100 WeakPolarHBondContact O-CB 3.42Å; E97-R100 PolarHBondContact O-N 3.37Å; E97-R100 IonicContact OE1-CZ 3.16Å; E97-R100 VanDerWaalsContact OE1-CZ 3.29Å; E97-R100 IonicContact OE1-NE 3.17Å; E97-R100 PolarHBondContact OE1-NE 2.88Å; E97-R100 VanDerWaalsContact OE1-NE 3.08Å; E97-R100 IonicContact OE1-NH2 2.75Å; E97-R100 PolarHBondContact OE1-NH2 3.08Å; E97-R100 WeakPolarHBondContact OE2-CD 3.39Å; E97-R100 IonicContact OE2-CZ 2.66Å; E97-R100 IonicContact OE2-NE 3.29Å; E97-R100 PolarHBondContact OE2-NE 2.68Å; E97-R100 IonicContact OE2-NH2 3.93Å; K98-R100 VanDerWaalsContact C-N 3.28Å; K98-R100 PolarHBondContact O-N 3.1Å; R100-I102 VanDerWaalsContact C-N 3.34Å; R100-L110 HydrophobicContact CB-CD2 4.1Å; R100-L110 HydrophobicContact CG-CD2 3.92Å
101Q96.4Very high97.1Very high113 Ų11362.3 Ų62.353%0.52835%0.345SS..THydrogen-bonded Turntrans-87.50.9179.1-70.4166.617.300113.4E97 K98 L99 E103E97-Q101 VanDerWaalsContact O-CG 3.3Å; E97-Q101 WeakPolarHBondContact O-CG 3.26Å; E97-Q101 PolarHBondContact O-N 3.06Å; K98-Q101 WeakPolarHBondContact O-CB 3.48Å; K98-Q101 PolarHBondContact O-N 3.5Å; L99-Q101 PolarHBondContact O-N 3.08Å; Q101-E103 PolarHBondContact O-N 3.29Å
102I96.9Very high97.1Very high25 Ų2564.1 Ų64.113%0.12835%0.348CS..  trans-78.9113.1177.8-59.8-171.5000110.3L99 R100 L105 L148 F149 M152L99-I102 HydrophobicContact CD1-CD1 3.99Å; L99-I102 WeakPolarHBondContact O-CB 3.44Å; L99-I102 PolarHBondContact O-N 3.27Å; R100-I102 VanDerWaalsContact C-N 3.34Å; I102-L105 HydrophobicContact CB-CB 4.15Å; I102-L105 HydrophobicContact CB-CD1 4.21Å; I102-L105 HydrophobicContact CD1-CD1 4.23Å; I102-L105 HydrophobicContact CG2-CB 3.94Å; I102-L105 HydrophobicContact CG2-CD1 4.24Å; I102-L148 HydrophobicContact CG2-CB 3.59Å; I102-L148 HydrophobicContact CG2-CD1 4.2Å; I102-L148 HydrophobicContact CG2-CG 4.4Å; I102-F149 HydrophobicContact CD1-CB 4.21Å; I102-F149 HydrophobicContact CD1-CD2 4.13Å; I102-M152 HydrophobicContact CD1-CB 4.1Å; I102-M152 HydrophobicContact CD1-CE 4.18Å; I102-M152 HydrophobicContact CD1-SD 3.72Å; I102-M152 HydrophobicContact CG1-SD 3.81Å
103E96.4Very high97.1Very high159 Ų15963.2 Ų63.274%0.74334%0.342SS*.THydrogen-bonded Turntrans-62.5134.6172.8-62.8-177.6163.400111.4Q101 L105Q101-E103 PolarHBondContact O-N 3.29Å; E103-L105 PolarHBondContact O-N 2.85Å
104G95.3Very high97.1Very high77 Ų7759.7 Ų59.779%0.79433%0.325SS*.THydrogen-bonded Turntrans821.7176.400000116.3
105L97.2Very high97.2Very high20 Ų2060.8 Ų60.811%0.10533%0.334CS..  trans-78.6143.5175.9-177.8147000111.8L99 I102 E103 Q107 L110 Y113 D145 L148L99-L105 HydrophobicContact CD1-CD1 3.7Å; L99-L105 HydrophobicContact CG-CD1 4.12Å; I102-L105 HydrophobicContact CB-CB 4.15Å; I102-L105 HydrophobicContact CB-CD1 4.21Å; I102-L105 HydrophobicContact CD1-CD1 4.23Å; I102-L105 HydrophobicContact CG2-CB 3.94Å; I102-L105 HydrophobicContact CG2-CD1 4.24Å; E103-L105 PolarHBondContact O-N 2.85Å; L105-Q107 PolarHBondContact O-N 3.02Å; L105-L110 HydrophobicContact CD2-CB 4.08Å; L105-L110 HydrophobicContact CD2-CD1 3.74Å; L105-L110 HydrophobicContact CD2-CG 4.48Å; L105-Y113 HydrophobicContact CD2-CD2 4.29Å; L105-Y113 HydrophobicContact CD2-CE2 4.43Å; L105-D145 WeakPolarHBondContact CA-OD1 3.14Å; L105-D145 HydrophobicContact CD1-CB 4.36Å; L105-D145 HydrophobicContact CG-CB 4.25Å; L105-L148 HydrophobicContact CB-CD1 4.24Å
106D96.1Very high97.2Very high67 Ų6761.7 Ų61.736%0.35834%0.34SS..  trans-63.6106-178.6-177.8-1.9000112.5G108 M109 L110 D145D106-G108 PolarHBondContact O-N 2.95Å; D106-G108 WeakPolarHBondContact OD1-CA 3.34Å; D106-G108 PolarHBondContact OD1-N 3.08Å; D106-M109 HydrophobicContact CB-CB 4.16Å; D106-M109 HydrophobicContact CB-CG 4.43Å; D106-M109 PolarHBondContact O-N 3.03Å; D106-M109 VanDerWaalsContact O-N 3.11Å; D106-M109 PolarHBondContact OD1-N 2.91Å; D106-M109 WeakPolarHBondContact OD2-CG 3.29Å; D106-L110 PolarHBondContact O-N 3.29Å; D106-D145 PolarHBondContact N-OD1 3.21Å
107Q96.3Very high97.2Very high126 Ų12661.5 Ų61.559%0.58934%0.339SS*.THydrogen-bonded Turntrans-65.1-22.5179.9-173.55490.700113.4L105 L110L105-Q107 PolarHBondContact O-N 3.02Å; Q107-L110 VanDerWaalsContact NE2-CD2 3.28Å
108G97.3Very high97.3Very high62 Ų6262.8 Ų62.864%0.63934%0.343SS*.THydrogen-bonded Turntrans-74.4-34.2172.600000112.8D106 P111D106-G108 PolarHBondContact O-N 2.95Å; D106-G108 WeakPolarHBondContact OD1-CA 3.34Å; D106-G108 PolarHBondContact OD1-N 3.08Å; G108-P111 WeakPolarHBondContact O-CD 3.5Å
109M97.1Very high97.4Very high65 Ų6568.5 Ų68.532%0.3237%0.367SS..THydrogen-bonded Turntrans-90-19.5179-69.6-70.2-74.100113.8D106 P111 Q112 Y113D106-M109 HydrophobicContact CB-CB 4.16Å; D106-M109 HydrophobicContact CB-CG 4.43Å; D106-M109 PolarHBondContact O-N 3.03Å; D106-M109 VanDerWaalsContact O-N 3.11Å; D106-M109 PolarHBondContact OD1-N 2.91Å; D106-M109 WeakPolarHBondContact OD2-CG 3.29Å; M109-P111 VanDerWaalsContact C-N 3.32Å; M109-P111 VanDerWaalsContact O-N 3.16Å; M109-Q112 WeakPolarHBondContact O-CA 3.11Å; M109-Q112 WeakPolarHBondContact O-CB 3.01Å; M109-Q112 PolarHBondContact O-N 2.63Å; M109-Y113 HydrophobicContact CB-CD2 4.25Å; M109-Y113 HydrophobicContact CB-CE1 4.05Å; M109-Y113 HydrophobicContact CB-CE2 3.6Å; M109-Y113 HydrophobicContact CE-CE1 3.93Å; M109-Y113 PolarHBondContact O-N 3Å
110L97.4Very high97.4Very high3 Ų370.1 Ų70.12%0.01638%0.381CS..Hα-helixtrans-46.7-42.4176.5-176.774.9000114.7L99 R100 L105 D106 Q107 Q112 Y113 C114L99-L110 HydrophobicContact CB-CD1 4.23Å; L99-L110 HydrophobicContact CD2-CD1 3.51Å; L99-L110 HydrophobicContact CG-CD1 3.62Å; R100-L110 HydrophobicContact CB-CD2 4.1Å; R100-L110 HydrophobicContact CG-CD2 3.92Å; L105-L110 HydrophobicContact CD2-CB 4.08Å; L105-L110 HydrophobicContact CD2-CD1 3.74Å; L105-L110 HydrophobicContact CD2-CG 4.48Å; D106-L110 PolarHBondContact O-N 3.29Å; Q107-L110 VanDerWaalsContact NE2-CD2 3.28Å; L110-Q112 VanDerWaalsContact C-N 3.32Å; L110-Q112 PolarHBondContact O-N 3.25Å; L110-Y113 PolarHBondContact O-N 2.73Å; L110-C114 WeakPolarHBondContact O-CB 3.36Å; L110-C114 PolarHBondContact O-N 2.86Å; L110-C114 PolarHBondContact O-SG 2.77Å
111P98Very high97.5Very high79 Ų7969.3 Ų69.351%0.51339%0.385SS..Hα-helixtrans-63.5-36.5177.8-21.534.5000112.9G108 M109 T115G108-P111 WeakPolarHBondContact O-CD 3.5Å; M109-P111 VanDerWaalsContact C-N 3.32Å; M109-P111 VanDerWaalsContact O-N 3.16Å; P111-T115 WeakPolarHBondContact O-CB 3.4Å; P111-T115 PolarHBondContact O-N 3.16Å; P111-T115 PolarHBondContact O-OG1 3.05Å
112Q98.2Very high97.5Very high111 Ų11164.2 Ų64.252%0.51936%0.361SS..Hα-helixtrans-68.6-45.5175.5-178.363.6800110.4M109 L110 C114 T115 T116M109-Q112 WeakPolarHBondContact O-CA 3.11Å; M109-Q112 WeakPolarHBondContact O-CB 3.01Å; M109-Q112 PolarHBondContact O-N 2.63Å; L110-Q112 VanDerWaalsContact C-N 3.32Å; L110-Q112 PolarHBondContact O-N 3.25Å; Q112-C114 PolarHBondContact O-N 3.36Å; Q112-T115 CarbonylContact O-C 3.58Å; Q112-T115 WeakPolarHBondContact O-CA 3.4Å; Q112-T115 WeakPolarHBondContact O-CB 3.45Å; Q112-T115 PolarHBondContact O-N 2.88Å; Q112-T116 PolarHBondContact O-N 3.39Å; Q112-T116 PolarHBondContact O-OG1 3.2Å
113Y98.3Very high97.6Very high2 Ų264.7 Ų64.71%0.00836%0.364CS..Hα-helixtrans-61.9-42.4176.8-57.4-27.2000112.5L99 L105 M109 L110 T115 T116 I117 M141 N142 D145L99-Y113 HydrophobicContact CD2-CD2 4.44Å; L99-Y113 HydrophobicContact CD2-CG 4.49Å; L105-Y113 HydrophobicContact CD2-CD2 4.29Å; L105-Y113 HydrophobicContact CD2-CE2 4.43Å; M109-Y113 HydrophobicContact CB-CD2 4.25Å; M109-Y113 HydrophobicContact CB-CE1 4.05Å; M109-Y113 HydrophobicContact CB-CE2 3.6Å; M109-Y113 HydrophobicContact CE-CE1 3.93Å; M109-Y113 PolarHBondContact O-N 3Å; L110-Y113 PolarHBondContact O-N 2.73Å; Y113-T115 VanDerWaalsContact C-N 3.27Å; Y113-T115 PolarHBondContact O-N 3.46Å; Y113-T116 PolarHBondContact O-N 3.34Å; Y113-I117 WeakPolarHBondContact O-CG1 3.16Å; Y113-I117 PolarHBondContact O-N 3.33Å; Y113-M141 HydrophobicContact CD1-CG 3.7Å; Y113-M141 HydrophobicContact CD2-CE 4.28Å; Y113-M141 HydrophobicContact CD2-CG 4.23Å; Y113-M141 HydrophobicContact CE1-CB 4.01Å; Y113-M141 HydrophobicContact CE1-CG 3.57Å; Y113-M141 HydrophobicContact CE2-CG 4.1Å; Y113-M141 HydrophobicContact CG-CE 4.05Å; Y113-M141 HydrophobicContact CG-CG 4.03Å; Y113-N142 PolarHBondContact OH-N 3.03Å; Y113-N142 PolarHBondContact OH-ND2 2.91Å; Y113-N142 VanDerWaalsContact OH-ND2 3.11Å; Y113-D145 HydrophobicContact CE2-CB 3.81Å; Y113-D145 WeakPolarHBondContact CE2-OD2 3.29Å; Y113-D145 PolarHBondContact OH-OD2 3.35Å
114C98.3Very high97.6Very high17 Ų1757.1 Ų57.112%0.11533%0.329CS..Hα-helixtrans-59.5-38.3171.6-68.30000112L110 Q112 I117 K118L110-C114 WeakPolarHBondContact O-CB 3.36Å; L110-C114 PolarHBondContact O-N 2.86Å; L110-C114 PolarHBondContact O-SG 2.77Å; Q112-C114 PolarHBondContact O-N 3.36Å; C114-I117 PolarHBondContact O-N 3.02Å; C114-K118 WeakPolarHBondContact O-CB 3.36Å; C114-K118 WeakPolarHBondContact O-CG 3.43Å; C114-K118 PolarHBondContact O-N 3.43Å
115T98.4Very high97.7Very high80 Ų8060.4 Ų60.449%0.49132%0.318SS..Hα-helixtrans-67-41.5176.6-59.10000111.3P111 Q112 Y113 K118 K119P111-T115 WeakPolarHBondContact O-CB 3.4Å; P111-T115 PolarHBondContact O-N 3.16Å; P111-T115 PolarHBondContact O-OG1 3.05Å; Q112-T115 CarbonylContact O-C 3.58Å; Q112-T115 WeakPolarHBondContact O-CA 3.4Å; Q112-T115 WeakPolarHBondContact O-CB 3.45Å; Q112-T115 PolarHBondContact O-N 2.88Å; Y113-T115 VanDerWaalsContact C-N 3.27Å; Y113-T115 PolarHBondContact O-N 3.46Å; T115-K118 PolarHBondContact O-N 3.17Å; T115-K119 VanDerWaalsContact O-CB 3.26Å; T115-K119 WeakPolarHBondContact O-CB 3.3Å; T115-K119 PolarHBondContact O-N 2.93Å
116T98.4Very high97.7Very high22 Ų2262.3 Ų62.314%0.13533%0.33CS..Hα-helixtrans-63.2-46.6173.8-52.10000111.6Q112 Y113 K118 K119 A120 E138 M139Q112-T116 PolarHBondContact O-N 3.39Å; Q112-T116 PolarHBondContact O-OG1 3.2Å; Y113-T116 PolarHBondContact O-N 3.34Å; T116-K118 VanDerWaalsContact C-N 3.27Å; T116-K118 PolarHBondContact O-N 3.36Å; T116-K119 PolarHBondContact O-N 3.47Å; T116-A120 WeakPolarHBondContact O-CB 3.38Å; T116-A120 PolarHBondContact O-N 3.11Å; T116-E138 WeakPolarHBondContact CG2-O 3.41Å; T116-M139 HydrophobicContact CG2-CE 3.46Å; T116-M139 VanDerWaalsContact CG2-CE 3.46Å
117I98.3Very high97.8Very high0 Ų059.1 Ų59.10%031%0.313CS..Hα-helixtrans-53.5-45.4175-73.6166.6000111V92 V95 C96 L99 Y113 C114 N121 I122 M139V92-I117 HydrophobicContact CG1-CG2 3.73Å; V95-I117 HydrophobicContact CB-CG2 4.47Å; V95-I117 HydrophobicContact CG1-CD1 4.18Å; V95-I117 HydrophobicContact CG1-CG2 4.06Å; C96-I117 VanDerWaalsContact SG-CG2 3.6Å; L99-I117 HydrophobicContact CB-CD1 4.33Å; L99-I117 HydrophobicContact CD2-CD1 3.7Å; L99-I117 HydrophobicContact CG-CD1 4.46Å; Y113-I117 WeakPolarHBondContact O-CG1 3.16Å; Y113-I117 PolarHBondContact O-N 3.33Å; C114-I117 PolarHBondContact O-N 3.02Å; I117-N121 PolarHBondContact O-N 3.16Å; I117-N121 VanDerWaalsContact O-N 3.16Å; I117-I122 HydrophobicContact CG2-CB 4.3Å; I117-I122 PolarHBondContact O-N 3.03Å; I117-M139 HydrophobicContact CG1-CE 3.67Å; I117-M139 HydrophobicContact CG1-SD 3.9Å
118K98.4Very high97.8Very high110 Ų11054.1 Ų54.148%0.47829%0.293SS..Hα-helixtrans-70.7-42.6179.2-72.5-178.3174.8-157.50113.3V92 D93 C114 T115 T116 N121V92-K118 HydrophobicContact CG1-CB 4.36Å; V92-K118 HydrophobicContact CG1-CG 3.69Å; D93-K118 WeakPolarHBondContact OD1-CE 3.49Å; D93-K118 IonicContact OD1-NZ 2.66Å; D93-K118 PolarHBondContact OD1-NZ 3.49Å; C114-K118 WeakPolarHBondContact O-CB 3.36Å; C114-K118 WeakPolarHBondContact O-CG 3.43Å; C114-K118 PolarHBondContact O-N 3.43Å; T115-K118 PolarHBondContact O-N 3.17Å; T116-K118 VanDerWaalsContact C-N 3.27Å; T116-K118 PolarHBondContact O-N 3.36Å; K118-N121 PolarHBondContact O-N 2.95Å
119K98.3Very high97.7Very high186 Ų18658.3 Ų58.381%0.80930%0.296SS*.Hα-helixtrans-64.7-41.6178.5-176.4-173.1174.6-166.80112.5T115 T116 N121T115-K119 VanDerWaalsContact O-CB 3.26Å; T115-K119 WeakPolarHBondContact O-CB 3.3Å; T115-K119 PolarHBondContact O-N 2.93Å; T116-K119 PolarHBondContact O-N 3.47Å; K119-N121 VanDerWaalsContact C-N 3.32Å
120A97.8Very high97.7Very high34 Ų3456.5 Ų56.528%0.28129%0.289SS..THydrogen-bonded Turntrans-86.91.5-179.900000113.6T116 I122 E138T116-A120 WeakPolarHBondContact O-CB 3.38Å; T116-A120 PolarHBondContact O-N 3.11Å; A120-I122 VanDerWaalsContact C-N 3.27Å; A120-I122 HydrophobicContact CB-CD1 3.73Å; A120-I122 HydrophobicContact CB-CG1 3.77Å; A120-I122 PolarHBondContact O-N 2.8Å; A120-E138 HydrophobicContact CB-CG 3.85Å; A120-E138 WeakPolarHBondContact CB-OE1 3.49Å
121N97.9Very high97.7Very high98 Ų9860 Ų6052%0.52431%0.308SS..THydrogen-bonded Turntrans52.342.5-176.8-17218.8000113.1V92 I117 K118 K119 N123V92-N121 WeakPolarHBondContact CG2-OD1 3.36Å; I117-N121 PolarHBondContact O-N 3.16Å; I117-N121 VanDerWaalsContact O-N 3.16Å; K118-N121 PolarHBondContact O-N 2.95Å; K119-N121 VanDerWaalsContact C-N 3.32Å; N121-N123 VanDerWaalsContact C-N 3.27Å; N121-N123 PolarHBondContact O-N 3.47Å; N121-N123 PolarHBondContact O-ND2 3.2Å
122I98.2Very high97.7Very high5 Ų557.1 Ų57.13%0.02629%0.288CS..  trans-77.482.8-179-63.7169.6000108.6I117 A120 L127 L135 E138 M139I117-I122 HydrophobicContact CG2-CB 4.3Å; I117-I122 PolarHBondContact O-N 3.03Å; A120-I122 VanDerWaalsContact C-N 3.27Å; A120-I122 HydrophobicContact CB-CD1 3.73Å; A120-I122 HydrophobicContact CB-CG1 3.77Å; A120-I122 PolarHBondContact O-N 2.8Å; I122-L127 HydrophobicContact CG2-CD1 4.11Å; I122-L127 HydrophobicContact CG2-CD2 3.49Å; I122-L127 VanDerWaalsContact CG2-CD2 3.49Å; I122-L127 HydrophobicContact CG2-CG 3.61Å; I122-L135 HydrophobicContact CD1-CD1 4.1Å; I122-L135 HydrophobicContact CG2-CD1 4.33Å; I122-E138 HydrophobicContact CD1-CG 4.13Å; I122-M139 HydrophobicContact CD1-CE 3.43Å; I122-M139 VanDerWaalsContact CD1-CE 3.43Å; I122-M139 HydrophobicContact CD1-CG 4.42Å; I122-M139 HydrophobicContact CD1-SD 3.87Å
123N97.8Very high97.7Very high36 Ų3656 Ų5619%0.19329%0.286CS..  trans-87.8170.5170.661.876000111V92 N121 R125 V126 L127V92-N123 HydrophobicContact CG2-CB 3.88Å; N121-N123 VanDerWaalsContact C-N 3.27Å; N121-N123 PolarHBondContact O-N 3.47Å; N121-N123 PolarHBondContact O-ND2 3.2Å; N123-R125 VanDerWaalsContact C-N 3.32Å; N123-R125 PolarHBondContact O-N 2.97Å; N123-R125 WeakPolarHBondContact OD1-CB 3.43Å; N123-R125 PolarHBondContact OD1-N 2.79Å; N123-R125 VanDerWaalsContact OD1-N 3.14Å; N123-V126 WeakPolarHBondContact O-CB 3.2Å; N123-V126 PolarHBondContact O-N 2.92Å; N123-V126 VanDerWaalsContact O-N 3.1Å; N123-V126 PolarHBondContact OD1-N 3.24Å; N123-L127 PolarHBondContact O-N 3.46Å
124G97.1Very high97.6Very high0 Ų061.3 Ų61.30%031%0.31CS..Hα-helixtrans-58.2-35.8-177.600000115.1L87 M90 V126 L127 A128L87-G124 CarbonylContact O-C 3.57Å; L87-G124 VanDerWaalsContact O-C 3.24Å; L87-G124 WeakPolarHBondContact O-CA 3.4Å; M90-G124 WeakPolarHBondContact O-CA 3.47Å; M90-G124 PolarHBondContact O-N 3.4Å; G124-V126 PolarHBondContact O-N 3.31Å; G124-L127 CarbonylContact O-C 3.59Å; G124-L127 PolarHBondContact O-N 3.48Å; G124-A128 WeakPolarHBondContact O-CB 3.47Å; G124-A128 PolarHBondContact O-N 3.45Å
125R96.6Very high97.6Very high146 Ų14660.9 Ų60.955%0.55131%0.307SS*.Hα-helixtrans-67.5-35.4176.1-175.9176.1-63.6-94.7-12.3112.4N123N123-R125 VanDerWaalsContact C-N 3.32Å; N123-R125 PolarHBondContact O-N 2.97Å; N123-R125 WeakPolarHBondContact OD1-CB 3.43Å; N123-R125 PolarHBondContact OD1-N 2.79Å; N123-R125 VanDerWaalsContact OD1-N 3.14Å
126V97.9Very high97.6Very high59 Ų5961.5 Ų61.536%0.35830%0.303SS..Hα-helixtrans-64.5-49.1169.7177.10000109.4N123 G124 A128 Q129 C130N123-V126 WeakPolarHBondContact O-CB 3.2Å; N123-V126 PolarHBondContact O-N 2.92Å; N123-V126 VanDerWaalsContact O-N 3.1Å; N123-V126 PolarHBondContact OD1-N 3.24Å; G124-V126 PolarHBondContact O-N 3.31Å; V126-A128 VanDerWaalsContact C-N 3.27Å; V126-A128 PolarHBondContact O-N 3.39Å; V126-Q129 PolarHBondContact O-N 3.39Å; V126-Q129 VanDerWaalsContact O-N 3.08Å; V126-C130 HydrophobicContact CG1-CB 4.16Å; V126-C130 VanDerWaalsContact O-CB 3.29Å; V126-C130 WeakPolarHBondContact O-CB 3.43Å; V126-C130 PolarHBondContact O-N 2.74Å; V126-C130 PolarHBondContact O-SG 3.01Å; V126-C130 VanDerWaalsContact O-SG 3.37Å
127L97.6Very high97.5Very high1 Ų168.2 Ų68.21%0.00533%0.33CS..Hα-helixtrans-64.2-25.1-179.9-72.3-177.8000114.7L87 V95 I122 N123 G124 L135 F149 V153 R157L87-L127 HydrophobicContact CD1-CB 4.04Å; L87-L127 HydrophobicContact CD2-CB 4.28Å; L87-L127 HydrophobicContact CG-CB 4.34Å; V95-L127 HydrophobicContact CB-CD1 4.39Å; V95-L127 HydrophobicContact CG1-CD1 3.49Å; V95-L127 VanDerWaalsContact CG1-CD1 3.49Å; V95-L127 HydrophobicContact CG2-CD1 3.91Å; I122-L127 HydrophobicContact CG2-CD1 4.11Å; I122-L127 HydrophobicContact CG2-CD2 3.49Å; I122-L127 VanDerWaalsContact CG2-CD2 3.49Å; I122-L127 HydrophobicContact CG2-CG 3.61Å; N123-L127 PolarHBondContact O-N 3.46Å; G124-L127 CarbonylContact O-C 3.59Å; G124-L127 PolarHBondContact O-N 3.48Å; L127-L135 HydrophobicContact CD2-CD1 3.82Å; L127-L135 HydrophobicContact CD2-CD2 3.64Å; L127-L135 HydrophobicContact CD2-CG 4.41Å; L127-F149 HydrophobicContact CD1-CZ 4.19Å; L127-F149 HydrophobicContact CD2-CE1 4.43Å; L127-F149 HydrophobicContact CD2-CZ 3.96Å; L127-V153 HydrophobicContact CB-CG1 4.47Å; L127-V153 HydrophobicContact CD1-CG2 4.23Å; L127-V153 HydrophobicContact CD2-CG1 4.45Å; L127-V153 HydrophobicContact CD2-CG2 4.06Å; L127-R157 PolarHBondContact O-NE 3.37Å; L127-R157 PolarHBondContact O-NH2 3.06Å
128A96.5Very high97.5Very high21 Ų2173.2 Ų73.217%0.17435%0.354CS..Hα-helixtrans-71.8-29.9173.300000113L87 G124 V126 R157L87-A128 HydrophobicContact CD2-CB 4.18Å; L87-A128 HydrophobicContact CG-CB 4.29Å; G124-A128 WeakPolarHBondContact O-CB 3.47Å; G124-A128 PolarHBondContact O-N 3.45Å; V126-A128 VanDerWaalsContact C-N 3.27Å; V126-A128 PolarHBondContact O-N 3.39Å; A128-R157 PolarHBondContact O-NE 2.97Å
129Q95.8Very high97.4Very high149 Ų14968 Ų6870%0.69633%0.331SS*.Hα-helixtrans-119.7-22.1-165.1-61.4-175.1-5.200115.3V126V126-Q129 PolarHBondContact O-N 3.39Å; V126-Q129 VanDerWaalsContact O-N 3.08Å
130C96.8Very high97.3Very high27 Ų2762.8 Ų62.818%0.18232%0.323CS..SBendtrans-65.4154.1-173.568.60000113.3V126 I132 R157V126-C130 HydrophobicContact CG1-CB 4.16Å; V126-C130 VanDerWaalsContact O-CB 3.29Å; V126-C130 WeakPolarHBondContact O-CB 3.43Å; V126-C130 PolarHBondContact O-N 2.74Å; V126-C130 PolarHBondContact O-SG 3.01Å; V126-C130 VanDerWaalsContact O-SG 3.37Å; C130-I132 PolarHBondContact O-N 3.45Å; C130-R157 PolarHBondContact O-NH1 3.22Å; C130-R157 PolarHBondContact O-NH2 2.95Å; C130-R157 PolarHBondContact SG-NH2 2.9Å; C130-R157 VanDerWaalsContact SG-NH2 3.39Å
131N97.8Very high97.3Very high77 Ų7762.2 Ų62.241%0.41231%0.314SS..  trans-66.2131167.6-177.9-4000109.5D133 E134 L135N131-D133 VanDerWaalsContact C-N 3.29Å; N131-D133 PolarHBondContact O-N 2.98Å; N131-D133 PolarHBondContact OD1-N 2.71Å; N131-D133 VanDerWaalsContact OD1-N 3.14Å; N131-E134 HydrophobicContact CB-CB 4.12Å; N131-E134 HydrophobicContact CB-CG 4.11Å; N131-E134 PolarHBondContact ND2-OE1 3.36Å; N131-E134 PolarHBondContact O-N 3.02Å; N131-L135 WeakPolarHBondContact O-CB 3.41Å; N131-L135 PolarHBondContact O-N 3.38Å
132I97.6Very high97.2Very high18 Ų1861 Ų619%0.09231%0.308CS..Hα-helixtrans-67.3-30.9-176.3-58.1-63.5000111.5C130 K136 W146 R150 V153 L154C130-I132 PolarHBondContact O-N 3.45Å; I132-K136 PolarHBondContact O-N 3.04Å; I132-W146 HydrophobicContact CG2-CH2 4.11Å; I132-W146 HydrophobicContact CG2-CZ2 3.69Å; I132-W146 WeakPolarHBondContact O-CH2 3.5Å; I132-W146 WeakPolarHBondContact O-CZ2 3.5Å; I132-R150 HydrophobicContact CG2-CG 3.88Å; I132-R150 VanDerWaalsContact CG2-CZ 3.5Å; I132-R150 VanDerWaalsContact CG2-NH1 3.29Å; I132-V153 HydrophobicContact CD1-CG1 4.27Å; I132-L154 HydrophobicContact CD1-CD2 4.15Å; I132-L154 HydrophobicContact CG1-CD2 4.32Å
133D97.1Very high97.2Very high89 Ų8968.1 Ų68.148%0.47634%0.339SS..Hα-helixtrans-85.3-12.1-179.4-59.7-36.5000113.1N131 K137 R150N131-D133 VanDerWaalsContact C-N 3.29Å; N131-D133 PolarHBondContact O-N 2.98Å; N131-D133 PolarHBondContact OD1-N 2.71Å; N131-D133 VanDerWaalsContact OD1-N 3.14Å; D133-K137 WeakPolarHBondContact O-CD 3.34Å; D133-K137 VanDerWaalsContact O-CE 3.28Å; D133-K137 WeakPolarHBondContact O-CE 3.42Å; D133-K137 WeakPolarHBondContact O-CG 3.34Å; D133-R150 IonicContact OD1-NH1 2.69Å; D133-R150 PolarHBondContact OD1-NH1 3.25Å
134E97.4Very high97.2Very high112 Ų11268.3 Ų68.352%0.52335%0.35SS..Hα-helixtrans-83.7-46.2164.6-73.5157.2-147.900110.1N131 K136 K137 E138N131-E134 HydrophobicContact CB-CB 4.12Å; N131-E134 HydrophobicContact CB-CG 4.11Å; N131-E134 PolarHBondContact ND2-OE1 3.36Å; N131-E134 PolarHBondContact O-N 3.02Å; E134-K136 PolarHBondContact O-N 3.3Å; E134-K137 WeakPolarHBondContact O-CB 3.31Å; E134-K137 PolarHBondContact O-N 2.59Å; E134-E138 PolarHBondContact O-N 2.85Å
135L97.8Very high97.3Very high9 Ų968.8 Ų68.85%0.04735%0.352CS..Hα-helixtrans-54.8-36.8172.8-177.266.9000111.9I122 L127 N131 K137 E138 M139 W146 F149I122-L135 HydrophobicContact CD1-CD1 4.1Å; I122-L135 HydrophobicContact CG2-CD1 4.33Å; L127-L135 HydrophobicContact CD2-CD1 3.82Å; L127-L135 HydrophobicContact CD2-CD2 3.64Å; L127-L135 HydrophobicContact CD2-CG 4.41Å; N131-L135 WeakPolarHBondContact O-CB 3.41Å; N131-L135 PolarHBondContact O-N 3.38Å; L135-K137 VanDerWaalsContact C-N 3.34Å; L135-K137 PolarHBondContact O-N 2.89Å; L135-E138 PolarHBondContact O-N 2.81Å; L135-M139 HydrophobicContact CD1-CG 3.74Å; L135-M139 HydrophobicContact CD1-SD 4.3Å; L135-M139 HydrophobicContact CG-CG 4.03Å; L135-M139 VanDerWaalsContact O-CB 3.29Å; L135-M139 WeakPolarHBondContact O-CB 3.46Å; L135-M139 WeakPolarHBondContact O-CG 3.46Å; L135-M139 PolarHBondContact O-N 3.06Å; L135-W146 HydrophobicContact CB-CH2 4.09Å; L135-W146 HydrophobicContact CD2-CH2 4.06Å; L135-W146 HydrophobicContact CD2-CZ3 4.32Å; L135-W146 HydrophobicContact CG-CH2 3.92Å; L135-W146 HydrophobicContact CG-CZ3 4.02Å; L135-F149 HydrophobicContact CD1-CE1 4.41Å; L135-F149 HydrophobicContact CD2-CE1 3.99Å; L135-F149 HydrophobicContact CG-CE1 4.3Å
136K97.7Very high97.4Very high92 Ų9262 Ų6240%0.433%0.326SS..Hα-helixtrans-58.3-44.1173.7-171.3174.7-175.2-179.10112.8I132 E134 A140 W146I132-K136 PolarHBondContact O-N 3.04Å; E134-K136 PolarHBondContact O-N 3.3Å; K136-A140 PolarHBondContact O-N 3.11Å; K136-W146 VanDerWaalsContact CA-CH2 3.49Å; K136-W146 HydrophobicContact CB-CD2 4.16Å; K136-W146 HydrophobicContact CB-CE3 4.41Å; K136-W146 HydrophobicContact CB-CH2 3.8Å; K136-W146 HydrophobicContact CB-CZ2 3.49Å; K136-W146 VanDerWaalsContact CB-CZ2 3.49Å; K136-W146 HydrophobicContact CB-CZ3 4.25Å; K136-W146 HydrophobicContact CD-CD2 4.41Å; K136-W146 HydrophobicContact CD-CG 4.45Å; K136-W146 HydrophobicContact CD-CZ2 4.41Å; K136-W146 HydrophobicContact CG-CD2 3.81Å; K136-W146 HydrophobicContact CG-CE3 4.36Å; K136-W146 HydrophobicContact CG-CG 4.17Å; K136-W146 HydrophobicContact CG-CZ2 3.96Å; K136-W146 VanDerWaalsContact N-CH2 3.33Å
137K97.4Very high97.4Very high163 Ų16363.2 Ų63.271%0.70933%0.328SS*.Hα-helixtrans-70.7-43.1-178.1-64164.7-170.7167.20110.6D133 E134 L135D133-K137 WeakPolarHBondContact O-CD 3.34Å; D133-K137 VanDerWaalsContact O-CE 3.28Å; D133-K137 WeakPolarHBondContact O-CE 3.42Å; D133-K137 WeakPolarHBondContact O-CG 3.34Å; E134-K137 WeakPolarHBondContact O-CB 3.31Å; E134-K137 PolarHBondContact O-N 2.59Å; L135-K137 VanDerWaalsContact C-N 3.34Å; L135-K137 PolarHBondContact O-N 2.89Å
138E97.8Very high97.4Very high105 Ų10566.1 Ų66.149%0.49134%0.343SS..Hα-helixtrans-67.2-40.4179.1-167.460.7-149.800111.9T116 A120 I122 E134 L135T116-E138 WeakPolarHBondContact CG2-O 3.41Å; A120-E138 HydrophobicContact CB-CG 3.85Å; A120-E138 WeakPolarHBondContact CB-OE1 3.49Å; I122-E138 HydrophobicContact CD1-CG 4.13Å; E134-E138 PolarHBondContact O-N 2.85Å; L135-E138 PolarHBondContact O-N 2.81Å
139M97.3Very high97.5Very high1 Ų165.1 Ų65.11%0.00534%0.335CS..Hα-helixtrans-74.9-27.4-177.5-65.9-86.164.600114.1T116 I117 I122 L135 M141 W146 F149T116-M139 HydrophobicContact CG2-CE 3.46Å; T116-M139 VanDerWaalsContact CG2-CE 3.46Å; I117-M139 HydrophobicContact CG1-CE 3.67Å; I117-M139 HydrophobicContact CG1-SD 3.9Å; I122-M139 HydrophobicContact CD1-CE 3.43Å; I122-M139 VanDerWaalsContact CD1-CE 3.43Å; I122-M139 HydrophobicContact CD1-CG 4.42Å; I122-M139 HydrophobicContact CD1-SD 3.87Å; L135-M139 HydrophobicContact CD1-CG 3.74Å; L135-M139 HydrophobicContact CD1-SD 4.3Å; L135-M139 HydrophobicContact CG-CG 4.03Å; L135-M139 VanDerWaalsContact O-CB 3.29Å; L135-M139 WeakPolarHBondContact O-CB 3.46Å; L135-M139 WeakPolarHBondContact O-CG 3.46Å; L135-M139 PolarHBondContact O-N 3.06Å; M139-M141 HydrophobicContact CB-CE 4.2Å; M139-M141 HydrophobicContact CB-CG 4.08Å; M139-M141 HydrophobicContact CB-SD 4Å; M139-M141 HydrophobicContact CG-CE 4.39Å; M139-M141 PolarHBondContact O-N 3.28Å; M139-M141 HydrophobicContact SD-CE 3.84Å; M139-W146 HydrophobicContact CB-CE3 4.45Å; M139-W146 HydrophobicContact CB-CZ3 4.32Å; M139-W146 HydrophobicContact CG-CZ3 4.29Å; M139-F149 HydrophobicContact CG-CD1 4.45Å; M139-F149 HydrophobicContact CG-CE1 3.89Å; M139-F149 HydrophobicContact SD-CD1 4.4Å; M139-F149 HydrophobicContact SD-CE1 3.6Å; M139-F149 VanDerWaalsContact SD-CE1 3.6Å; M139-F149 HydrophobicContact SD-CZ 3.94Å
140A95.8Very high97.6Very high77 Ų7761.9 Ų61.964%0.63632%0.316SS*.  trans49.231.6177.100000114.7K136K136-A140 PolarHBondContact O-N 3.11Å
141M97.3Very high97.7Very high21 Ų2163.9 Ų63.910%0.10333%0.331CS..  trans-72.5154.8-179-74165.3174.600112.5L99 Y113 M139 D145 W146 F149L99-M141 HydrophobicContact CD1-CE 3.77Å; L99-M141 HydrophobicContact CD2-CE 4.32Å; Y113-M141 HydrophobicContact CD1-CG 3.7Å; Y113-M141 HydrophobicContact CD2-CE 4.28Å; Y113-M141 HydrophobicContact CD2-CG 4.23Å; Y113-M141 HydrophobicContact CE1-CB 4.01Å; Y113-M141 HydrophobicContact CE1-CG 3.57Å; Y113-M141 HydrophobicContact CE2-CG 4.1Å; Y113-M141 HydrophobicContact CG-CE 4.05Å; Y113-M141 HydrophobicContact CG-CG 4.03Å; M139-M141 HydrophobicContact CB-CE 4.2Å; M139-M141 HydrophobicContact CB-CG 4.08Å; M139-M141 HydrophobicContact CB-SD 4Å; M139-M141 HydrophobicContact CG-CE 4.39Å; M139-M141 PolarHBondContact O-N 3.28Å; M139-M141 HydrophobicContact SD-CE 3.84Å; M141-D145 HydrophobicContact CB-CB 4.23Å; M141-W146 HydrophobicContact CB-CB 3.94Å; M141-W146 HydrophobicContact SD-CE3 4.1Å; M141-F149 HydrophobicContact CE-CB 4.2Å; M141-F149 HydrophobicContact CE-CD1 3.8Å; M141-F149 HydrophobicContact CE-CD2 4.36Å; M141-F149 HydrophobicContact CE-CE1 4.22Å; M141-F149 HydrophobicContact CE-CG 3.86Å; M141-F149 HydrophobicContact SD-CB 3.83Å; M141-F149 HydrophobicContact SD-CD1 3.73Å; M141-F149 HydrophobicContact SD-CG 3.95Å
142N97.1Very high97.6Very high74 Ų7461.3 Ų61.340%0.39632%0.317SS..  trans-53154.6164.8-63-41.9000110.6Y113 G144 D145 W146Y113-N142 PolarHBondContact OH-N 3.03Å; Y113-N142 PolarHBondContact OH-ND2 2.91Å; Y113-N142 VanDerWaalsContact OH-ND2 3.11Å; N142-G144 VanDerWaalsContact C-N 3.32Å; N142-G144 PolarHBondContact O-N 2.66Å; N142-D145 HydrophobicContact CB-CB 4.33Å; N142-D145 WeakPolarHBondContact CB-OD2 3.35Å; N142-D145 PolarHBondContact ND2-OD2 3Å; N142-D145 PolarHBondContact O-N 3.4Å; N142-W146 VanDerWaalsContact O-CB 3.27Å; N142-W146 WeakPolarHBondContact O-CB 3.39Å; N142-W146 PolarHBondContact O-N 3.42Å
143F97.9Very high97.6Very high154 Ų15460.5 Ų60.568%0.67531%0.312SS*.Hα-helixtrans-54.7-44.4-177.9179.5-96.2000113.3H147F143-H147 AromaticContact CE2-CD2 3.75Å; F143-H147 AromaticContact CE2-NE2 3.57Å; F143-H147 AromaticContact CZ-CD2 3.68Å; F143-H147 AromaticContact CZ-NE2 3.58Å; F143-H147 PolarHBondContact O-CD2 3.29Å; F143-H147 PolarHBondContact O-N 3.41Å
144G97.9Very high97.6Very high40 Ų4059.9 Ų59.941%0.41231%0.309SS..Hα-helixtrans-65.1-57.6177.100000112.6N142 W146 H147 L148N142-G144 VanDerWaalsContact C-N 3.32Å; N142-G144 PolarHBondContact O-N 2.66Å; G144-W146 PolarHBondContact O-N 3.01Å; G144-H147 WeakPolarHBondContact O-CA 3.35Å; G144-H147 PolarHBondContact O-N 3.3Å; G144-L148 PolarHBondContact O-N 2.79Å
145D98.3Very high97.5Very high9 Ų960 Ų605%0.04831%0.309CS..Hα-helixtrans-52.7-42.3178.8-59-33.5000112.2L105 D106 Y113 M141 N142 H147 L148 F149L105-D145 WeakPolarHBondContact CA-OD1 3.14Å; L105-D145 HydrophobicContact CD1-CB 4.36Å; L105-D145 HydrophobicContact CG-CB 4.25Å; D106-D145 PolarHBondContact N-OD1 3.21Å; Y113-D145 HydrophobicContact CE2-CB 3.81Å; Y113-D145 WeakPolarHBondContact CE2-OD2 3.29Å; Y113-D145 PolarHBondContact OH-OD2 3.35Å; M141-D145 HydrophobicContact CB-CB 4.23Å; N142-D145 HydrophobicContact CB-CB 4.33Å; N142-D145 WeakPolarHBondContact CB-OD2 3.35Å; N142-D145 PolarHBondContact ND2-OD2 3Å; N142-D145 PolarHBondContact O-N 3.4Å; D145-H147 PolarHBondContact O-N 3.19Å; D145-L148 PolarHBondContact O-N 3Å; D145-F149 WeakPolarHBondContact O-CB 3.34Å; D145-F149 PolarHBondContact O-N 3.22Å
146W98.3Very high97.3Very high3 Ų361 Ų611%0.01131%0.314CS..Hα-helixtrans-60.1-44175.1171.9-107.3000112.4I132 L135 K136 M139 M141 N142 G144 F149 R150I132-W146 HydrophobicContact CG2-CH2 4.11Å; I132-W146 HydrophobicContact CG2-CZ2 3.69Å; I132-W146 WeakPolarHBondContact O-CH2 3.5Å; I132-W146 WeakPolarHBondContact O-CZ2 3.5Å; L135-W146 HydrophobicContact CB-CH2 4.09Å; L135-W146 HydrophobicContact CD2-CH2 4.06Å; L135-W146 HydrophobicContact CD2-CZ3 4.32Å; L135-W146 HydrophobicContact CG-CH2 3.92Å; L135-W146 HydrophobicContact CG-CZ3 4.02Å; K136-W146 VanDerWaalsContact CA-CH2 3.49Å; K136-W146 HydrophobicContact CB-CD2 4.16Å; K136-W146 HydrophobicContact CB-CE3 4.41Å; K136-W146 HydrophobicContact CB-CH2 3.8Å; K136-W146 HydrophobicContact CB-CZ2 3.49Å; K136-W146 VanDerWaalsContact CB-CZ2 3.49Å; K136-W146 HydrophobicContact CB-CZ3 4.25Å; K136-W146 HydrophobicContact CD-CD2 4.41Å; K136-W146 HydrophobicContact CD-CG 4.45Å; K136-W146 HydrophobicContact CD-CZ2 4.41Å; K136-W146 HydrophobicContact CG-CD2 3.81Å; K136-W146 HydrophobicContact CG-CE3 4.36Å; K136-W146 HydrophobicContact CG-CG 4.17Å; K136-W146 HydrophobicContact CG-CZ2 3.96Å; K136-W146 VanDerWaalsContact N-CH2 3.33Å; M139-W146 HydrophobicContact CB-CE3 4.45Å; M139-W146 HydrophobicContact CB-CZ3 4.32Å; M139-W146 HydrophobicContact CG-CZ3 4.29Å; M141-W146 HydrophobicContact CB-CB 3.94Å; M141-W146 HydrophobicContact SD-CE3 4.1Å; N142-W146 VanDerWaalsContact O-CB 3.27Å; N142-W146 WeakPolarHBondContact O-CB 3.39Å; N142-W146 PolarHBondContact O-N 3.42Å; G144-W146 PolarHBondContact O-N 3.01Å; W146-F149 HydrophobicContact CE3-CD1 4.2Å; W146-F149 AromaticContact CZ3-CD1 3.87Å; W146-F149 HydrophobicContact CZ3-CD1 3.87Å; W146-F149 HydrophobicContact CZ3-CE1 4.32Å; W146-R150 HydrophobicContact CH2-CB 4.47Å; W146-R150 HydrophobicContact CZ2-CB 4.02Å; W146-R150 HydrophobicContact CZ2-CG 4.26Å; W146-R150 WeakPolarHBondContact O-CB 3.14Å; W146-R150 PolarHBondContact O-N 3.07Å
147H98.4Very high97.2Very high85 Ų8558.8 Ų58.839%0.39430%0.303SS..Hα-helixtrans-67.2-36.7178.9-92.9-85000112.1F143 G144 D145 S151F143-H147 AromaticContact CE2-CD2 3.75Å; F143-H147 AromaticContact CE2-NE2 3.57Å; F143-H147 AromaticContact CZ-CD2 3.68Å; F143-H147 AromaticContact CZ-NE2 3.58Å; F143-H147 PolarHBondContact O-CD2 3.29Å; F143-H147 PolarHBondContact O-N 3.41Å; G144-H147 WeakPolarHBondContact O-CA 3.35Å; G144-H147 PolarHBondContact O-N 3.3Å; D145-H147 PolarHBondContact O-N 3.19Å; H147-S151 WeakPolarHBondContact O-CB 3.4Å; H147-S151 PolarHBondContact O-N 3.07Å; H147-S151 PolarHBondContact O-OG 2.91Å
148L98.4Very high97Very high63 Ų6354 Ų5433%0.3329%0.29SS..Hα-helixtrans-66.4-49.9174.1-60.5171.2000111.4I102 L105 G144 D145 R150 S151 M152I102-L148 HydrophobicContact CG2-CB 3.59Å; I102-L148 HydrophobicContact CG2-CD1 4.2Å; I102-L148 HydrophobicContact CG2-CG 4.4Å; L105-L148 HydrophobicContact CB-CD1 4.24Å; G144-L148 PolarHBondContact O-N 2.79Å; D145-L148 PolarHBondContact O-N 3Å; L148-R150 PolarHBondContact O-N 3.38Å; L148-S151 WeakPolarHBondContact O-CB 3.3Å; L148-S151 PolarHBondContact O-N 2.99Å; L148-S151 VanDerWaalsContact O-N 3.14Å; L148-M152 PolarHBondContact O-N 2.9Å
149F98.3Very high96.6Very high0 Ų052.2 Ų52.20%029%0.287CS..Hα-helixtrans-62.6-43.2177.6179.6-115.6000112.8L99 I102 L127 L135 M139 M141 D145 W146 S151 M152 V153L99-F149 HydrophobicContact CD1-CB 4.28Å; L99-F149 HydrophobicContact CD1-CD2 3.38Å; L99-F149 HydrophobicContact CD1-CE2 3.91Å; L99-F149 HydrophobicContact CD1-CG 4.02Å; I102-F149 HydrophobicContact CD1-CB 4.21Å; I102-F149 HydrophobicContact CD1-CD2 4.13Å; L127-F149 HydrophobicContact CD1-CZ 4.19Å; L127-F149 HydrophobicContact CD2-CE1 4.43Å; L127-F149 HydrophobicContact CD2-CZ 3.96Å; L135-F149 HydrophobicContact CD1-CE1 4.41Å; L135-F149 HydrophobicContact CD2-CE1 3.99Å; L135-F149 HydrophobicContact CG-CE1 4.3Å; M139-F149 HydrophobicContact CG-CD1 4.45Å; M139-F149 HydrophobicContact CG-CE1 3.89Å; M139-F149 HydrophobicContact SD-CD1 4.4Å; M139-F149 HydrophobicContact SD-CE1 3.6Å; M139-F149 VanDerWaalsContact SD-CE1 3.6Å; M139-F149 HydrophobicContact SD-CZ 3.94Å; M141-F149 HydrophobicContact CE-CB 4.2Å; M141-F149 HydrophobicContact CE-CD1 3.8Å; M141-F149 HydrophobicContact CE-CD2 4.36Å; M141-F149 HydrophobicContact CE-CE1 4.22Å; M141-F149 HydrophobicContact CE-CG 3.86Å; M141-F149 HydrophobicContact SD-CB 3.83Å; M141-F149 HydrophobicContact SD-CD1 3.73Å; M141-F149 HydrophobicContact SD-CG 3.95Å; D145-F149 WeakPolarHBondContact O-CB 3.34Å; D145-F149 PolarHBondContact O-N 3.22Å; W146-F149 HydrophobicContact CE3-CD1 4.2Å; W146-F149 AromaticContact CZ3-CD1 3.87Å; W146-F149 HydrophobicContact CZ3-CD1 3.87Å; W146-F149 HydrophobicContact CZ3-CE1 4.32Å; F149-S151 VanDerWaalsContact C-N 3.26Å; F149-S151 PolarHBondContact O-N 3.14Å; F149-M152 HydrophobicContact CD2-CE 3.72Å; F149-M152 HydrophobicContact CE2-CE 3.69Å; F149-M152 PolarHBondContact O-N 3.49Å; F149-V153 HydrophobicContact CD1-CG2 4.48Å; F149-V153 HydrophobicContact CD2-CG2 4.25Å; F149-V153 HydrophobicContact CE1-CG2 4.14Å; F149-V153 HydrophobicContact CE2-CG2 3.91Å; F149-V153 HydrophobicContact CZ-CG2 3.85Å; F149-V153 WeakPolarHBondContact O-CG2 3.33Å; F149-V153 PolarHBondContact O-N 3.3Å
150R98.1Very high96.1Very high80 Ų8053.4 Ų53.430%0.30229%0.292SS..Hα-helixtrans-58.4-38173.2177173.5173.5138.9-1.1111.7I132 D133 W146 L148 L154I132-R150 HydrophobicContact CG2-CG 3.88Å; I132-R150 VanDerWaalsContact CG2-CZ 3.5Å; I132-R150 VanDerWaalsContact CG2-NH1 3.29Å; D133-R150 IonicContact OD1-NH1 2.69Å; D133-R150 PolarHBondContact OD1-NH1 3.25Å; W146-R150 HydrophobicContact CH2-CB 4.47Å; W146-R150 HydrophobicContact CZ2-CB 4.02Å; W146-R150 HydrophobicContact CZ2-CG 4.26Å; W146-R150 WeakPolarHBondContact O-CB 3.14Å; W146-R150 PolarHBondContact O-N 3.07Å; L148-R150 PolarHBondContact O-N 3.38Å; R150-L154 HydrophobicContact CG-CD1 3.89Å; R150-L154 WeakPolarHBondContact O-CB 3.4Å; R150-L154 VanDerWaalsContact O-CG 3.25Å; R150-L154 WeakPolarHBondContact O-CG 3.38Å; R150-L154 PolarHBondContact O-N 3.19Å; R150-L154 VanDerWaalsContact O-N 3.07Å
151S97.9Very high95.4Very high70 Ų7055.7 Ų55.749%0.4929%0.293SS..Hα-helixtrans-66.5-50178-57.50000111H147 L148 F149 V153 L154 E155H147-S151 WeakPolarHBondContact O-CB 3.4Å; H147-S151 PolarHBondContact O-N 3.07Å; H147-S151 PolarHBondContact O-OG 2.91Å; L148-S151 WeakPolarHBondContact O-CB 3.3Å; L148-S151 PolarHBondContact O-N 2.99Å; L148-S151 VanDerWaalsContact O-N 3.14Å; F149-S151 VanDerWaalsContact C-N 3.26Å; F149-S151 PolarHBondContact O-N 3.14Å; S151-V153 VanDerWaalsContact C-N 3.34Å; S151-V153 PolarHBondContact O-N 3.46Å; S151-L154 PolarHBondContact O-N 3.07Å; S151-E155 WeakPolarHBondContact O-CB 3.28Å; S151-E155 PolarHBondContact O-N 3.35Å
152M96.9Very high94Very high23 Ų2362.4 Ų62.411%0.11333%0.325CS..Hα-helixtrans-56.1-45175-176-164.67300112.1K98 I102 L148 F149 L154 M156K98-M152 HydrophobicContact CB-CE 4.28Å; K98-M152 HydrophobicContact CB-SD 3.97Å; I102-M152 HydrophobicContact CD1-CB 4.1Å; I102-M152 HydrophobicContact CD1-CE 4.18Å; I102-M152 HydrophobicContact CD1-SD 3.72Å; I102-M152 HydrophobicContact CG1-SD 3.81Å; L148-M152 PolarHBondContact O-N 2.9Å; F149-M152 HydrophobicContact CD2-CE 3.72Å; F149-M152 HydrophobicContact CE2-CE 3.69Å; F149-M152 PolarHBondContact O-N 3.49Å; M152-L154 PolarHBondContact O-N 3.29Å; M152-M156 VanDerWaalsContact O-CB 3.31Å; M152-M156 WeakPolarHBondContact O-CB 3.38Å; M152-M156 WeakPolarHBondContact O-CG 3.4Å; M152-M156 PolarHBondContact O-N 3.07Å
153V97.3Very high92.2Very high0 Ų062.3 Ų62.30%033%0.327CS..Hα-helixtrans-64.9-38.1179.8171.30000111.8L127 I132 F149 S151 R157L127-V153 HydrophobicContact CB-CG1 4.47Å; L127-V153 HydrophobicContact CD1-CG2 4.23Å; L127-V153 HydrophobicContact CD2-CG1 4.45Å; L127-V153 HydrophobicContact CD2-CG2 4.06Å; I132-V153 HydrophobicContact CD1-CG1 4.27Å; F149-V153 HydrophobicContact CD1-CG2 4.48Å; F149-V153 HydrophobicContact CD2-CG2 4.25Å; F149-V153 HydrophobicContact CE1-CG2 4.14Å; F149-V153 HydrophobicContact CE2-CG2 3.91Å; F149-V153 HydrophobicContact CZ-CG2 3.85Å; F149-V153 WeakPolarHBondContact O-CG2 3.33Å; F149-V153 PolarHBondContact O-N 3.3Å; S151-V153 VanDerWaalsContact C-N 3.34Å; S151-V153 PolarHBondContact O-N 3.46Å; V153-R157 WeakPolarHBondContact O-CG 3.46Å; V153-R157 PolarHBondContact O-N 2.83Å; V153-R157 VanDerWaalsContact O-N 3.07Å
154L96.6Very high89.6Confident76 Ų7660 Ų6040%0.39833%0.325SS..Hα-helixtrans-74.1-39.7178.6-70.3171.8000112.6I132 R150 S151 M152 R157 S158I132-L154 HydrophobicContact CD1-CD2 4.15Å; I132-L154 HydrophobicContact CG1-CD2 4.32Å; R150-L154 HydrophobicContact CG-CD1 3.89Å; R150-L154 WeakPolarHBondContact O-CB 3.4Å; R150-L154 VanDerWaalsContact O-CG 3.25Å; R150-L154 WeakPolarHBondContact O-CG 3.38Å; R150-L154 PolarHBondContact O-N 3.19Å; R150-L154 VanDerWaalsContact O-N 3.07Å; S151-L154 PolarHBondContact O-N 3.07Å; M152-L154 PolarHBondContact O-N 3.29Å; L154-R157 PolarHBondContact O-N 3.49Å; L154-S158 PolarHBondContact O-N 2.89Å
155E95Very high87.2Confident115 Ų11563.3 Ų63.354%0.53734%0.339SS..Hα-helixtrans-59.6-46.6171.5177.8177.5-146.400111.1S151 R157 S158 V159S151-E155 WeakPolarHBondContact O-CB 3.28Å; S151-E155 PolarHBondContact O-N 3.35Å; E155-R157 VanDerWaalsContact C-N 3.32Å; E155-R157 PolarHBondContact O-N 2.95Å; E155-S158 PolarHBondContact O-N 3.33Å; E155-S158 PolarHBondContact O-OG 3.04Å; E155-V159 WeakPolarHBondContact O-CG2 3.27Å; E155-V159 PolarHBondContact O-N 3.48Å
156M93.8Very high84.8Confident31 Ų3171.3 Ų71.315%0.15338%0.376CS..Hα-helixtrans-66.5-30.7177.3-76.4-154.272.100113.4L85 L87 M90 M152 E160L85-M156 WeakPolarHBondContact O-CE 3.11Å; L87-M156 HydrophobicContact CB-CB 4.13Å; L87-M156 HydrophobicContact CB-CE 4.06Å; L87-M156 HydrophobicContact CD1-CB 4.09Å; L87-M156 HydrophobicContact CD1-CE 4.07Å; L87-M156 HydrophobicContact CD1-SD 4.01Å; L87-M156 HydrophobicContact CD2-CB 3.91Å; L87-M156 HydrophobicContact CG-CB 4.26Å; M90-M156 HydrophobicContact CE-CE 3.31Å; M90-M156 HydrophobicContact CE-SD 4.06Å; M90-M156 HydrophobicContact SD-CE 3.78Å; M90-M156 HydrophobicContact SD-SD 4.16Å; M152-M156 VanDerWaalsContact O-CB 3.31Å; M152-M156 WeakPolarHBondContact O-CB 3.38Å; M152-M156 WeakPolarHBondContact O-CG 3.4Å; M152-M156 PolarHBondContact O-N 3.07Å; M156-E160 WeakPolarHBondContact O-CB 3.45Å; M156-E160 PolarHBondContact O-N 3.14Å
157R95.4Very high81.6Confident45 Ų4575.7 Ų75.717%0.1740%0.4CS..Hα-helixtrans-68.8-40.7170.7-77.1179-169.1-158.91.3112.6L87 L127 A128 C130 V153 L154 E155 E160 N161L87-R157 HydrophobicContact CD2-CG 3.76Å; L127-R157 PolarHBondContact O-NE 3.37Å; L127-R157 PolarHBondContact O-NH2 3.06Å; A128-R157 PolarHBondContact O-NE 2.97Å; C130-R157 PolarHBondContact O-NH1 3.22Å; C130-R157 PolarHBondContact O-NH2 2.95Å; C130-R157 PolarHBondContact SG-NH2 2.9Å; C130-R157 VanDerWaalsContact SG-NH2 3.39Å; V153-R157 WeakPolarHBondContact O-CG 3.46Å; V153-R157 PolarHBondContact O-N 2.83Å; V153-R157 VanDerWaalsContact O-N 3.07Å; L154-R157 PolarHBondContact O-N 3.49Å; E155-R157 VanDerWaalsContact C-N 3.32Å; E155-R157 PolarHBondContact O-N 2.95Å; R157-E160 PolarHBondContact O-N 3.33Å; R157-N161 WeakPolarHBondContact O-CB 3.49Å; R157-N161 VanDerWaalsContact O-CG 3.27Å; R157-N161 PolarHBondContact O-N 3.23Å; R157-N161 PolarHBondContact O-ND2 2.88Å
158S93.1Very high78.8Confident61 Ų6177.6 Ų77.643%0.42742%0.42SS..Hα-helixtrans-70.6-36.7179.564.90000111.9L154 E155 Q162L154-S158 PolarHBondContact O-N 2.89Å; E155-S158 PolarHBondContact O-N 3.33Å; E155-S158 PolarHBondContact O-OG 3.04Å; S158-Q162 WeakPolarHBondContact O-CG 3.25Å; S158-Q162 PolarHBondContact O-N 2.89Å
159V88.9Confident75.7Confident69 Ų6982.2 Ų82.242%0.41843%0.433SS..Hα-helixtrans-63.2-48.4171.3174.10000111.1E155 N161 Q162 V163E155-V159 WeakPolarHBondContact O-CG2 3.27Å; E155-V159 PolarHBondContact O-N 3.48Å; V159-N161 PolarHBondContact O-N 3.22Å; V159-Q162 PolarHBondContact O-N 3.26Å; V159-V163 VanDerWaalsContact O-CG2 3.3Å; V159-V163 WeakPolarHBondContact O-CG2 3.45Å; V159-V163 PolarHBondContact O-N 3.49Å
160E88.3Confident72.7Confident25 Ų2590.8 Ų90.812%0.11747%0.47CS..Hα-helixtrans-62.6-39.4179.2-178.3165-12900112.7L86 L87 S88 M156 R157 Q162 V163L86-E160 WeakPolarHBondContact CB-OE1 3.5Å; L86-E160 HydrophobicContact CD2-CG 4.46Å; L86-E160 HydrophobicContact CG-CG 4.4Å; L87-E160 WeakPolarHBondContact CB-OE2 3.46Å; L87-E160 PolarHBondContact N-OE1 2.93Å; S88-E160 WeakPolarHBondContact CB-OE1 3.33Å; S88-E160 VanDerWaalsContact N-CD 3.34Å; S88-E160 PolarHBondContact N-OE1 2.82Å; S88-E160 PolarHBondContact N-OE2 3.41Å; S88-E160 PolarHBondContact OG-OE1 3.16Å; M156-E160 WeakPolarHBondContact O-CB 3.45Å; M156-E160 PolarHBondContact O-N 3.14Å; R157-E160 PolarHBondContact O-N 3.33Å; E160-Q162 PolarHBondContact O-N 3.36Å; E160-V163 PolarHBondContact O-N 2.66Å
161N79.9Confident69.6Low125 Ų12595.4 Ų95.467%0.66850%0.5SS*.Hα-helixtrans-66.4-22.7177.3-75.1-18000113.9R157 V159 V163R157-N161 WeakPolarHBondContact O-CB 3.49Å; R157-N161 VanDerWaalsContact O-CG 3.27Å; R157-N161 PolarHBondContact O-N 3.23Å; R157-N161 PolarHBondContact O-ND2 2.88Å; V159-N161 PolarHBondContact O-N 3.22Å; N161-V163 VanDerWaalsContact C-N 3.34Å
162Q68.5Low66.3Low162 Ų16298.8 Ų98.876%0.75751%0.513SS*.THydrogen-bonded Turntrans-86.5-4172.4-69.7-175.4106.400113.2S158 V159 E160S158-Q162 WeakPolarHBondContact O-CG 3.25Å; S158-Q162 PolarHBondContact O-N 2.89Å; V159-Q162 PolarHBondContact O-N 3.26Å; E160-Q162 PolarHBondContact O-N 3.36Å
163V59.2Low63.1Low73 Ų73105.8 Ų105.844%0.44255%0.545SS..  trans-106.129.7-177.6179.30000111.2L86 V159 E160 N161 P165L86-V163 HydrophobicContact CD1-CG1 3.95Å; L86-V163 HydrophobicContact CD2-CG1 4.29Å; L86-V163 HydrophobicContact CG-CG1 4.26Å; V159-V163 VanDerWaalsContact O-CG2 3.3Å; V159-V163 WeakPolarHBondContact O-CG2 3.45Å; V159-V163 PolarHBondContact O-N 3.49Å; E160-V163 PolarHBondContact O-N 2.66Å; N161-V163 VanDerWaalsContact C-N 3.34Å; V163-P165 WeakPolarHBondContact O-CD 3.42Å
164V42.8Very low60Low106 Ų106111.4 Ų111.464%0.64258%0.575SS**  trans-101.496166.9-179.10000109.2
165P47.9Very low56.7Low108 Ų108112 Ų11270%0.70159%0.586SS**  trans-78.5125.2175.230.5-34000111.6V163V163-P165 WeakPolarHBondContact O-CD 3.42Å
166E47.9Very low53.6Low178 Ų178112.2 Ų112.283%0.83260%0.6SS**SBendtrans-74.5123.1164.4-74.7-74.6123.100110.2
167D30.4Very low50.5Low94 Ų94115 Ų11550%0.50363%0.628SS.*  trans53.999.9170.5-161.115.8000119.4R169D167-R169 PolarHBondContact O-N 2.96Å; D167-R169 WeakPolarHBondContact OD1-CG 3.42Å; D167-R169 IonicContact OD1-NE 2.88Å; D167-R169 PolarHBondContact OD1-NE 2.68Å; D167-R169 VanDerWaalsContact OD1-NE 3.16Å; D167-R169 IonicContact OD2-CZ 3.86Å; D167-R169 IonicContact OD2-NE 2.63Å; D167-R169 PolarHBondContact OD2-NE 3.32Å; D167-R169 IonicContact OD2-NH2 3.97Å; D167-R169 PolarHBondContact OD2-NH2 3.04Å
168P40.5Very low48.4Very low126 Ų126118.6 Ų118.682%0.81866%0.657SS**  trans-83.876.1-175.835.6-36.5000113.3
169R33Very low45.3Very low159 Ų159122.8 Ų122.860%0.668%0.68SS**  trans-130.4-0.9-174.6-72.1-167.5-57.3106.44.6119.6D167D167-R169 PolarHBondContact O-N 2.96Å; D167-R169 WeakPolarHBondContact OD1-CG 3.42Å; D167-R169 IonicContact OD1-NE 2.88Å; D167-R169 PolarHBondContact OD1-NE 2.68Å; D167-R169 VanDerWaalsContact OD1-NE 3.16Å; D167-R169 IonicContact OD2-CZ 3.86Å; D167-R169 IonicContact OD2-NE 2.63Å; D167-R169 PolarHBondContact OD2-NE 3.32Å; D167-R169 IonicContact OD2-NH2 3.97Å; D167-R169 PolarHBondContact OD2-NH2 3.04Å
170F35.3Very low42.3Very low180 Ų180124 Ų12479%0.78970%0.697SS**  trans-136.179.6179.5-71.3-72.5000115.2
171L33.8Very low39.4Very low177 Ų177131.9 Ų131.993%0.92773%0.734SS**SBendtrans-135.3139.7145.8-86.6-178.6000111
172N28.1Very low36.9Very low141 Ų141128.9 Ų128.975%0.75473%0.732SS**  trans70.480.2164.9-161.176.2000119.5
173E29Very low34.8Very low170 Ų170130.7 Ų130.779%0.79474%0.74SS**  trans-162.2113.2149.2178.777.1148.400108
174N31.9Very low33.2Very low119 Ų119132.4 Ų132.464%0.63676%0.756SS**  cis-150.5-168.1-14.5-148.9-63.9000109.1
175S28.8Very low32.3Very low89 Ų89131.6 Ų131.662%0.62276%0.76SS**  trans-107.9171.1173.875.90000113.4
176S28.7Very low31.3Very low118 Ų118137.7 Ų137.783%0.82577%0.769SS**  trans87.1144.1158.6-55.20000119.7
177A30.2Very low30.4Very low91 Ų91140.7 Ų140.775%0.75277%0.773SS**  trans-124.2-146.7178.200000109.1
178P49.9Very low30.1Very low120 Ų120143 Ų14378%0.77979%0.79SS**  -117.7151.3-67.133.5-21.8000113.2
179V27.5Very low29.4Very low149 Ų149141.1 Ų141.190%0.90378%0.78SS**  trans-152.5149.4171.4-177.30000109.5
180A27.1Very low29.1Very low93 Ų93142.1 Ų142.177%0.76979%0.792SS**  cis-163.8158.2-38.100000108.8
181H26.6Very low28.6Very low192 Ų192138.1 Ų138.189%0.88979%0.786SS**  trans-61.2136.3-172.6-173.286.8000117.5
182G28.7Very low28.2Very low62 Ų62138.7 Ų138.764%0.63978%0.784SS**  59.2131.9123.200000122.1
183E23.9Very low28.3Very low199 Ų199139.3 Ų139.393%0.9379%0.786SS**  trans-79.3123171.3-73-170.192.700114.3
184S24.8Very low28.8Very low109 Ų109136.7 Ų136.776%0.76278%0.784SS**  trans58.9108.8136.8-152.90000122
185A24.4Very low29.4Very low89 Ų89138.9 Ų138.974%0.73679%0.79SS**  trans79146.3144.300000118.6
186R27Very low29.4Very low237 Ų237141.6 Ų141.689%0.89480%0.803SS**  cis-137.8130.716.8-68.9171.6177.1147.22.8113.7
187R30Very low29.7Very low240 Ų240144.5 Ų144.591%0.90680%0.804SS**  trans25.8132.8147-60.2-175.1175.5-139.1-4.1120.8
188T23.3Very low30.1Very low142 Ų142148.2 Ų148.287%0.87181%0.81SS**  -162178.8108.2-74.80000109.3
189S25.5Very low29.1Very low87 Ų87148 Ų14861%0.60881%0.811SS**  trans-112.6144.3-147.350.30000117.1
190H27.1Very low29.2Very low181 Ų181145.9 Ų145.984%0.83880%0.803SS**  trans62.6144.9153.1-67.4-135.2000116
191S24.3Very low29.6Very low96 Ų96149.7 Ų149.767%0.67181%0.805SS**  cis-175.8164.235.1-147.40000112.4
192E24.8Very low29.9Very low189 Ų189145.6 Ų145.688%0.88379%0.794SS**  trans72.7156.2154.7-46-152.210700123.2
193L31.4Very low30.6Very low154 Ų154148.5 Ų148.581%0.80680%0.801SS**  trans-98.2-179.3175.1-77.3168.7000109
194P39.8Very low31.3Very low115 Ų115148.5 Ų148.575%0.74779%0.794SS**  cis-140.3-17116.543.9-24.1000117
195H43.8Very low32Very low164 Ų164149.8 Ų149.876%0.75980%0.798SS**  trans-67.6152.1176.1-43.6-98000114.3
196T27.9Very low33.2Very low147 Ų147152.1 Ų152.190%0.90280%0.797SS**  trans-160.5159.6145.8-68.80000107.9
197E35.2Very low34.2Very low179 Ų179148.2 Ų148.284%0.83679%0.794SS**  trans-104.5172.1-159.3-53.4-168.3120.100117.1
198L38.9Very low35.9Very low168 Ų168141.7 Ų141.788%0.8877%0.772SS**  trans80.1120.4143.9-162.269.9000119.8
199S28.3Very low37.3Very low116 Ų116138.1 Ų138.181%0.81175%0.753SS**  trans-152.3152.7151.8-149.20000113.3
200S30.9Very low38.3Very low105 Ų105141.8 Ų141.873%0.73476%0.758SS**  trans-60.1131.2-16149.90000120.1
201Q34Very low40.1Very low173 Ų173139.4 Ų139.481%0.80875%0.748SS**  trans13.1142.7134.6-64.9-177.3-8.600122.7
202T34.2Very low42.2Very low106 Ų106139.3 Ų139.365%0.6574%0.737SS**  trans71.6153.8151.250.80000119.1Y204T202-Y204 HydrophobicContact CG2-CD2 4.44Å; T202-Y204 HydrophobicContact CG2-CE2 3.98Å
203P43Very low44Very low122 Ų122135.2 Ų135.279%0.79272%0.72SS**  cis-109.4167.910.640.7-32.7000116.5
204Y39.5Very low45.1Very low199 Ų199133.4 Ų133.478%0.7871%0.711SS**  trans-77138.9179.9-58.1-92.1000112.5T202T202-Y204 HydrophobicContact CG2-CD2 4.44Å; T202-Y204 HydrophobicContact CG2-CE2 3.98Å
205T38.8Very low45.7Very low137 Ų137133.5 Ų133.584%0.8471%0.71SS**  trans-104.190.9167.8580000109.9N207T205-N207 PolarHBondContact O-N 3.01Å
206L48.4Very low46.1Very low137 Ų137131.5 Ų131.572%0.71770%0.704SS**  trans-79.9110.7172.2-63.9177.8000108.9F208L206-F208 HydrophobicContact CB-CD2 4.37Å; L206-F208 HydrophobicContact CB-CE2 3.93Å; L206-F208 HydrophobicContact CD1-CE2 4.25Å; L206-F208 HydrophobicContact CD2-CZ 4.44Å; L206-F208 HydrophobicContact CG-CE2 4.47Å
207N48.8Very low47Very low155 Ų155127.4 Ų127.483%0.82969%0.691SS**  trans-120.581.8-178.6-175.447.5000109.5T205T205-N207 PolarHBondContact O-N 3.01Å
208F65Low47.5Very low104 Ų104127.3 Ų127.346%0.45670%0.696SS.*  trans-82.5142.7176.8-63.7-70.5000111.2L206 E212 L213L206-F208 HydrophobicContact CB-CD2 4.37Å; L206-F208 HydrophobicContact CB-CE2 3.93Å; L206-F208 HydrophobicContact CD1-CE2 4.25Å; L206-F208 HydrophobicContact CD2-CZ 4.44Å; L206-F208 HydrophobicContact CG-CE2 4.47Å; F208-E212 WeakPolarHBondContact CA-OE2 3.49Å; F208-E212 HydrophobicContact CB-CB 4.47Å; F208-E212 HydrophobicContact CD1-CB 4.45Å; F208-L213 HydrophobicContact CB-CG 4.23Å
209S53.4Low48Very low67 Ų67126.9 Ų126.947%0.46969%0.694SS.*  trans-68.5154.3166.4-173.30000110.9E211 E212 L213S209-E211 PolarHBondContact O-N 3.34Å; S209-E212 PolarHBondContact N-OE2 2.74Å; S209-E212 PolarHBondContact O-N 3.27Å; S209-E212 VanDerWaalsContact O-N 3.12Å; S209-L213 PolarHBondContact O-N 3.19Å
210F46.7Very low48.6Very low163 Ų163130.5 Ų130.572%0.71570%0.698SS**Hα-helixtrans-55.8-33.5172.4-178.4-99000112N214F210-N214 PolarHBondContact O-N 2.86Å
211E65.9Low49Very low132 Ų132128.9 Ų128.962%0.61770%0.698SS**Hα-helixtrans-65.4-41.3177.2-140.966.2-147.600112.5S209 N214 T215S209-E211 PolarHBondContact O-N 3.34Å; E211-N214 WeakPolarHBondContact O-CB 3.25Å; E211-N214 PolarHBondContact O-N 3.21Å; E211-T215 PolarHBondContact O-N 3.22Å
212E66.6Low48.8Very low94 Ų94124.4 Ų124.444%0.43969%0.691SS.*Hα-helixtrans-70.6-35.9-177.5-64.1172.9124.200111.6F208 S209 N214 T215F208-E212 WeakPolarHBondContact CA-OE2 3.49Å; F208-E212 HydrophobicContact CB-CB 4.47Å; F208-E212 HydrophobicContact CD1-CB 4.45Å; S209-E212 PolarHBondContact N-OE2 2.74Å; S209-E212 PolarHBondContact O-N 3.27Å; S209-E212 VanDerWaalsContact O-N 3.12Å; E212-N214 VanDerWaalsContact C-N 3.29Å; E212-N214 PolarHBondContact O-N 3.12Å; E212-T215 PolarHBondContact O-N 3.28Å; E212-T215 PolarHBondContact O-OG1 3.2Å
213L63.2Low49.4Very low102 Ų102125.5 Ų125.553%0.53470%0.7SS.*Hα-helixtrans-65.3-33.8172.4-72.8169.4000112.1F208 S209 T215 L216F208-L213 HydrophobicContact CB-CG 4.23Å; S209-L213 PolarHBondContact O-N 3.19Å; L213-T215 VanDerWaalsContact C-N 3.28Å; L213-T215 PolarHBondContact O-N 3.4Å; L213-L216 PolarHBondContact O-N 2.76Å
214N55.1Low49.1Very low116 Ų116130.4 Ų130.462%0.6270%0.702SS**Hα-helixtrans-68.8-28.7179.4-143.517.2000111.9F210 E211 E212F210-N214 PolarHBondContact O-N 2.86Å; E211-N214 WeakPolarHBondContact O-CB 3.25Å; E211-N214 PolarHBondContact O-N 3.21Å; E212-N214 VanDerWaalsContact C-N 3.29Å; E212-N214 PolarHBondContact O-N 3.12Å
215T52.5Low49.4Very low118 Ų118130.1 Ų130.172%0.72471%0.707SS**THydrogen-bonded Turntrans-80.3-7.3173.545.50000115.1E211 E212 L213 G217E211-T215 PolarHBondContact O-N 3.22Å; E212-T215 PolarHBondContact O-N 3.28Å; E212-T215 PolarHBondContact O-OG1 3.2Å; L213-T215 VanDerWaalsContact C-N 3.28Å; L213-T215 PolarHBondContact O-N 3.4Å; T215-G217 VanDerWaalsContact C-N 3.32Å
216L51.8Low49Very low122 Ų122127.7 Ų127.764%0.63970%0.696SS**THydrogen-bonded Turntrans-93.816.7177.7-68.6169.9000113.2L213 L218L213-L216 PolarHBondContact O-N 2.76Å; L216-L218 PolarHBondContact O-N 3.44Å
217G46Very low48.5Very low60 Ų60129 Ų12962%0.61970%0.704SS**  trans-66.6119.4172.600000112T215 D219T215-G217 VanDerWaalsContact C-N 3.32Å; G217-D219 PolarHBondContact O-N 3.36Å; G217-D219 VanDerWaalsContact O-N 3.17Å
218L46.1Very low48Very low178 Ų178128.3 Ų128.393%0.93270%0.699SS**  trans-50.4112.2179.2-70.8158.3000113.3L216L216-L218 PolarHBondContact O-N 3.44Å
219D49.2Very low46.8Very low158 Ų158128.5 Ų128.585%0.84571%0.714SS**  trans-124.487157.2-172.941.9000109.5G217G217-D219 PolarHBondContact O-N 3.36Å; G217-D219 VanDerWaalsContact O-N 3.17Å
220E42.4Very low46.1Very low193 Ų193135.5 Ų135.590%0.90273%0.73SS**  trans-120109.8162.6-169.9169.7139.400108.8
221G37.6Very low45.9Very low70 Ų70137 Ų13772%0.72274%0.739SS**  trans-92.4133.1-167.300000114.6
222A31.3Very low44.3Very low80 Ų80136.7 Ų136.766%0.66175%0.752SS**  trans-142.6125.1157.200000110.5R224A222-R224 PolarHBondContact O-N 3.48Å
223P46.9Very low42.7Very low129 Ų129138.7 Ų138.784%0.83876%0.761SS**  trans-75.699.3-177.429.9-34.1000111.1
224R36.8Very low41.6Very low224 Ų224141.2 Ų141.285%0.84578%0.781SS**  trans-112.6126.9161.2-75.5-168.5170.6125.61.8111A222 S226A222-R224 PolarHBondContact O-N 3.48Å; R224-S226 PolarHBondContact O-N 3.17Å
225H45.4Very low40.7Very low193 Ų193144.4 Ų144.489%0.89478%0.784SS**  trans-55.8105.5-165.2-49.5-84.8000113.1
226S29.2Very low40.1Very low87 Ų87150.2 Ų150.261%0.60879%0.793SS**  trans-128.2119.2165.747.70000108.4R224 L228R224-S226 PolarHBondContact O-N 3.17Å; S226-L228 VanDerWaalsContact C-N 3.34Å; S226-L228 PolarHBondContact O-N 3.47Å
227N39Very low39.5Very low165 Ų165150.8 Ų150.888%0.88280%0.802SS**  trans-81.178.9-173.8-76.4-68.2000110.9
228L37.8Very low39.2Very low139 Ų139153.6 Ų153.673%0.72881%0.809SS**  trans-98.285.3175.7-72.9166.7000110.5S226 W230S226-L228 VanDerWaalsContact C-N 3.34Å; S226-L228 PolarHBondContact O-N 3.47Å; L228-W230 PolarHBondContact O-N 3.13Å
229S40.1Very low38.8Very low108 Ų108149.9 Ų149.976%0.75580%0.798SS**  trans-74.339.8-17649.20000114.9
230W39.5Very low39.1Very low215 Ų215151.7 Ų151.781%0.81481%0.806SS**  trans-117.748.3-168.1-71.8107.7000114.9L228L228-W230 PolarHBondContact O-N 3.13Å
231Q41.4Very low39.5Very low194 Ų194146.2 Ų146.291%0.90779%0.79SS**  trans-160.264.4156.7-118.1159.8104.200114.9
232S32.3Very low40.1Very low125 Ų125147 Ų14787%0.87478%0.784SS**  trans-128.449.3171.3-66.60000113.1
233Q33Very low41.4Very low136 Ų136150.7 Ų150.764%0.63679%0.792SS**  trans-151.2109.1160.6-156.9170.4-137.700113.3R235Q233-R235 VanDerWaalsContact C-N 3.29Å; Q233-R235 HydrophobicContact CG-CG 4.04Å; Q233-R235 VanDerWaalsContact NE2-NE 3.12Å; Q233-R235 PolarHBondContact O-N 3.43Å
234T40.8Very low42.3Very low155 Ų155152.2 Ų152.295%0.95179%0.793SS**  trans-68.981.6170.4-44.50000110.6
235R36.6Very low44.3Very low183 Ų183143.7 Ų143.769%0.69177%0.768SS**PPolyproline II helixtrans-102.1135.4159.8-60.2-156.7-178.2-83.1-8108.3Q233Q233-R235 VanDerWaalsContact C-N 3.29Å; Q233-R235 HydrophobicContact CG-CG 4.04Å; Q233-R235 VanDerWaalsContact NE2-NE 3.12Å; Q233-R235 PolarHBondContact O-N 3.43Å
236R38.8Very low46Very low240 Ų240142 Ų14291%0.90676%0.76SS**PPolyproline II helixtrans-50.8141.8178.3-63.6175178.7165.9-2.5109.6P238R236-P238 VanDerWaalsContact O-CD 3.25Å; R236-P238 WeakPolarHBondContact O-CD 3.37Å; R236-P238 VanDerWaalsContact O-N 3.13Å
237T38.8Very low48.6Very low135 Ų135143.9 Ų143.983%0.82876%0.764SS**PPolyproline II helixtrans-50.8116163.636.10000109.3
238P40.7Very low50.8Low119 Ų119137.1 Ų137.177%0.77373%0.729SS**PPolyproline II helixtrans-69.8140.9163.131.4-31.1000107.7R236R236-P238 VanDerWaalsContact O-CD 3.25Å; R236-P238 WeakPolarHBondContact O-CD 3.37Å; R236-P238 VanDerWaalsContact O-N 3.13Å
239S37.7Very low53.1Low100 Ų100133.8 Ų133.870%0.69972%0.717SS**PPolyproline II helixtrans-50.8147.6-175.6-50.40000113.5S241S239-S241 PolarHBondContact O-N 3.45Å; S239-S241 PolarHBondContact O-OG 2.76Å
240L54.4Low55.6Low195 Ų195132.2 Ų132.2100%1.02170%0.699SS**  trans-69.257.9166.2-67.8173.9000111.4
241S51.2Low58.1Low79 Ų79128.3 Ų128.355%0.55269%0.691SS**  trans-114.7103-176.255.30000110.5S239S239-S241 PolarHBondContact O-N 3.45Å; S239-S241 PolarHBondContact O-OG 2.76Å
242S49.6Very low60.5Low85 Ų85123.3 Ų123.359%0.59467%0.669SS**  trans89.195.6177.6-42.40000115.9N244 S245S242-N244 PolarHBondContact O-N 3.36Å; S242-S245 WeakPolarHBondContact O-CB 3.37Å; S242-S245 PolarHBondContact O-N 3.01Å; S242-S245 VanDerWaalsContact O-N 3.12Å; S242-S245 PolarHBondContact O-OG 2.76Å
243L59.4Low63.5Low158 Ų158120.2 Ų120.283%0.82765%0.647SS**THydrogen-bonded Turntrans-58.5-7.6160.5-66.1167.9000113.7
244N66.2Low66.5Low161 Ų161120.3 Ų120.386%0.86165%0.646SS**THydrogen-bonded Turntrans-100.816.6177.1-165.450.8000112.5S242S242-N244 PolarHBondContact O-N 3.36Å
245S78.5Confident69Low46 Ų46118.1 Ų118.132%0.32263%0.628SS.*  trans-76.8140.7175-56.60000110.4S242 D247 S248 S249S242-S245 WeakPolarHBondContact O-CB 3.37Å; S242-S245 PolarHBondContact O-N 3.01Å; S242-S245 VanDerWaalsContact O-N 3.12Å; S242-S245 PolarHBondContact O-OG 2.76Å; S245-D247 VanDerWaalsContact C-N 3.26Å; S245-D247 PolarHBondContact O-N 3.46Å; S245-S248 WeakPolarHBondContact O-CA 3.42Å; S245-S248 WeakPolarHBondContact O-CB 3.37Å; S245-S248 PolarHBondContact O-N 3.03Å; S245-S249 PolarHBondContact O-N 3.23Å
246Q80.4Confident71.9Confident157 Ų157112.6 Ų112.673%0.73461%0.614SS**Hα-helixtrans-61.1-35.4-177.9-172.9169.3-22.400112.5S248 S249 I250Q246-S248 VanDerWaalsContact C-N 3.34Å; Q246-S248 PolarHBondContact O-N 3.12Å; Q246-S249 WeakPolarHBondContact O-CB 3.48Å; Q246-S249 PolarHBondContact O-N 3.06Å; Q246-I250 HydrophobicContact CG-CD1 4.45Å; Q246-I250 WeakPolarHBondContact O-CG1 3.47Å; Q246-I250 PolarHBondContact O-N 2.88Å
247D84.3Confident74.6Confident127 Ų127105.8 Ų105.868%0.67960%0.596SS**Hα-helixtrans-64.5-36.7173.3-54.2-82.8000112.6S245 I250 E251S245-D247 VanDerWaalsContact C-N 3.26Å; S245-D247 PolarHBondContact O-N 3.46Å; D247-I250 PolarHBondContact O-N 3.45Å; D247-E251 WeakPolarHBondContact O-CB 3.38Å; D247-E251 PolarHBondContact O-N 2.99Å
248S85.2Confident77.4Confident23 Ų23105.6 Ų105.616%0.16158%0.584CS.*Hα-helixtrans-68.8-36.7174.7-1730000111.3S245 Q246 I250 E251 I252S245-S248 WeakPolarHBondContact O-CA 3.42Å; S245-S248 WeakPolarHBondContact O-CB 3.37Å; S245-S248 PolarHBondContact O-N 3.03Å; Q246-S248 VanDerWaalsContact C-N 3.34Å; Q246-S248 PolarHBondContact O-N 3.12Å; S248-I250 VanDerWaalsContact C-N 3.32Å; S248-I250 PolarHBondContact O-N 2.97Å; S248-E251 PolarHBondContact O-N 2.98Å; S248-I252 WeakPolarHBondContact O-CB 3.44Å; S248-I252 WeakPolarHBondContact O-CD1 3.46Å; S248-I252 VanDerWaalsContact O-CG1 3.23Å; S248-I252 WeakPolarHBondContact O-CG1 3.23Å; S248-I252 PolarHBondContact O-N 3.5Å
249S86.1Confident80.1Confident68 Ų68103.9 Ų103.948%0.47657%0.571SS.*Hα-helixtrans-60.8-41.4170.4-172.10000111.9S245 Q246 E251 I252 S253S245-S249 PolarHBondContact O-N 3.23Å; Q246-S249 WeakPolarHBondContact O-CB 3.48Å; Q246-S249 PolarHBondContact O-N 3.06Å; S249-E251 VanDerWaalsContact C-N 3.34Å; S249-I252 PolarHBondContact O-N 2.87Å; S249-S253 PolarHBondContact O-N 3.05Å; S249-S253 PolarHBondContact O-OG 3.26Å
250I92.1Very high83Confident75 Ų75103.3 Ų103.339%0.38556%0.557SS.*Hα-helixtrans-67-36.6177.1-68.2163.2000111.2Q246 D247 S248 K254Q246-I250 HydrophobicContact CG-CD1 4.45Å; Q246-I250 WeakPolarHBondContact O-CG1 3.47Å; Q246-I250 PolarHBondContact O-N 2.88Å; D247-I250 PolarHBondContact O-N 3.45Å; S248-I250 VanDerWaalsContact C-N 3.32Å; S248-I250 PolarHBondContact O-N 2.97Å; I250-K254 HydrophobicContact CG2-CD 4.22Å; I250-K254 VanDerWaalsContact O-CG 3.29Å; I250-K254 WeakPolarHBondContact O-CG 3.38Å; I250-K254 PolarHBondContact O-N 2.91Å
251E93.6Very high85Confident134 Ų13496.1 Ų96.163%0.62653%0.526SS*.Hα-helixtrans-67.3-43.3174.9-173.5167.3-13400112D247 S248 S249 S253 K254 L255D247-E251 WeakPolarHBondContact O-CB 3.38Å; D247-E251 PolarHBondContact O-N 2.99Å; S248-E251 PolarHBondContact O-N 2.98Å; S249-E251 VanDerWaalsContact C-N 3.34Å; E251-S253 PolarHBondContact O-N 3.27Å; E251-K254 PolarHBondContact O-N 3.05Å; E251-L255 WeakPolarHBondContact O-CB 3.43Å; E251-L255 PolarHBondContact O-N 3.28Å
252I91.3Very high87.1Confident89 Ų8998 Ų9846%0.45653%0.525SS..Hα-helixtrans-62.5-41.4174.4-68.9162000111.1S248 S249 L255 T256S248-I252 WeakPolarHBondContact O-CB 3.44Å; S248-I252 WeakPolarHBondContact O-CD1 3.46Å; S248-I252 VanDerWaalsContact O-CG1 3.23Å; S248-I252 WeakPolarHBondContact O-CG1 3.23Å; S248-I252 PolarHBondContact O-N 3.5Å; S249-I252 PolarHBondContact O-N 2.87Å; I252-L255 PolarHBondContact O-N 3.45Å; I252-T256 WeakPolarHBondContact O-CB 3.29Å; I252-T256 PolarHBondContact O-N 2.87Å; I252-T256 PolarHBondContact O-OG1 3.45Å
253S94.4Very high89.4Confident60 Ų60101.7 Ų101.742%0.4253%0.528SS..Hα-helixtrans-59.6-51.7172.1-64.50000111.4S249 E251 L255 T256 D257S249-S253 PolarHBondContact O-N 3.05Å; S249-S253 PolarHBondContact O-OG 3.26Å; E251-S253 PolarHBondContact O-N 3.27Å; S253-L255 VanDerWaalsContact C-N 3.3Å; S253-L255 PolarHBondContact O-N 3.25Å; S253-T256 CarbonylContact O-C 3.49Å; S253-T256 WeakPolarHBondContact O-CA 3.41Å; S253-T256 WeakPolarHBondContact O-CB 3.34Å; S253-T256 PolarHBondContact O-N 3.31Å; S253-D257 VanDerWaalsContact O-CG 3.24Å; S253-D257 PolarHBondContact O-N 3.45Å
254K95.6Very high91.3Very high137 Ų137101.4 Ų101.460%0.59652%0.516SS*.Hα-helixtrans-59.7-37.5178.5-72.9166.9-179173.60113.3I250 E251 K258I250-K254 HydrophobicContact CG2-CD 4.22Å; I250-K254 VanDerWaalsContact O-CG 3.29Å; I250-K254 WeakPolarHBondContact O-CG 3.38Å; I250-K254 PolarHBondContact O-N 2.91Å; E251-K254 PolarHBondContact O-N 3.05Å; K254-K258 WeakPolarHBondContact O-CB 3.45Å; K254-K258 PolarHBondContact O-N 3.17Å
255L95.1Very high92.8Very high110 Ų11097.7 Ų97.758%0.57650%0.496SS*.Hα-helixtrans-66.2-42.2174.9-179.960.4000111E251 I252 S253 K258 V259E251-L255 WeakPolarHBondContact O-CB 3.43Å; E251-L255 PolarHBondContact O-N 3.28Å; I252-L255 PolarHBondContact O-N 3.45Å; S253-L255 VanDerWaalsContact C-N 3.3Å; S253-L255 PolarHBondContact O-N 3.25Å; L255-K258 PolarHBondContact O-N 3.27Å; L255-V259 HydrophobicContact CD1-CG2 4.47Å; L255-V259 WeakPolarHBondContact O-CG2 3.36Å; L255-V259 PolarHBondContact O-N 3.49Å
256T95.5Very high93.7Very high67 Ų6798.3 Ų98.341%0.41150%0.504SS..Hα-helixtrans-61.9-46.1174.9-540000111.1I252 S253 K258 V259 Q260I252-T256 WeakPolarHBondContact O-CB 3.29Å; I252-T256 PolarHBondContact O-N 2.87Å; I252-T256 PolarHBondContact O-OG1 3.45Å; S253-T256 CarbonylContact O-C 3.49Å; S253-T256 WeakPolarHBondContact O-CA 3.41Å; S253-T256 WeakPolarHBondContact O-CB 3.34Å; S253-T256 PolarHBondContact O-N 3.31Å; T256-K258 PolarHBondContact O-N 2.97Å; T256-V259 PolarHBondContact O-N 3.03Å; T256-Q260 WeakPolarHBondContact O-CG 3.43Å; T256-Q260 PolarHBondContact O-N 3.05Å
257D96.6Very high94.5Very high96 Ų9697.1 Ų97.151%0.51349%0.493SS..Hα-helixtrans-61.8-42177-64-30.8000111.4S253 Q260 A261S253-D257 VanDerWaalsContact O-CG 3.24Å; S253-D257 PolarHBondContact O-N 3.45Å; D257-Q260 PolarHBondContact O-N 3.36Å; D257-A261 WeakPolarHBondContact O-CB 3.46Å; D257-A261 PolarHBondContact O-N 2.96Å
258K97.4Very high95.1Very high132 Ų13297.7 Ų97.757%0.57449%0.486SS*.Hα-helixtrans-61.2-49.5175.4-171.4-165.8170.9-1600111.1K254 L255 T256 Q260 A261 E262K254-K258 WeakPolarHBondContact O-CB 3.45Å; K254-K258 PolarHBondContact O-N 3.17Å; L255-K258 PolarHBondContact O-N 3.27Å; T256-K258 PolarHBondContact O-N 2.97Å; K258-Q260 VanDerWaalsContact C-N 3.31Å; K258-Q260 PolarHBondContact O-N 2.95Å; K258-A261 WeakPolarHBondContact O-CB 3.39Å; K258-A261 PolarHBondContact O-N 2.82Å; K258-A261 VanDerWaalsContact O-N 3.17Å; K258-E262 IonicContact NZ-OE2 3.29Å; K258-E262 WeakPolarHBondContact O-CB 3.36Å; K258-E262 PolarHBondContact O-N 3.48Å
259V97.8Very high95.6Very high83 Ų83102.1 Ų102.150%0.50350%0.504SS..Hα-helixtrans-64-36.1179.4172.20000111.4L255 T256 Y263L255-V259 HydrophobicContact CD1-CG2 4.47Å; L255-V259 WeakPolarHBondContact O-CG2 3.36Å; L255-V259 PolarHBondContact O-N 3.49Å; T256-V259 PolarHBondContact O-N 3.03Å; V259-Y263 WeakPolarHBondContact O-CB 3.33Å; V259-Y263 PolarHBondContact O-N 2.74Å
260Q97.6Very high96.1Very high88 Ų88105 Ų10541%0.41151%0.506SS..Hα-helixtrans-67.5-37.6173-74.1-174.231.200113T256 D257 K258 R264T256-Q260 WeakPolarHBondContact O-CG 3.43Å; T256-Q260 PolarHBondContact O-N 3.05Å; D257-Q260 PolarHBondContact O-N 3.36Å; K258-Q260 VanDerWaalsContact C-N 3.31Å; K258-Q260 PolarHBondContact O-N 2.95Å; Q260-R264 WeakPolarHBondContact O-CB 3.27Å; Q260-R264 VanDerWaalsContact O-CG 3.24Å; Q260-R264 WeakPolarHBondContact O-CG 3.39Å; Q260-R264 PolarHBondContact O-N 3.34Å
261A96.4Very high96.3Very high44 Ų44105.6 Ų105.636%0.36451%0.508SS..Hα-helixtrans-65.4-49.4173.300000110.8D257 K258 Y263 R264 D265D257-A261 WeakPolarHBondContact O-CB 3.46Å; D257-A261 PolarHBondContact O-N 2.96Å; K258-A261 WeakPolarHBondContact O-CB 3.39Å; K258-A261 PolarHBondContact O-N 2.82Å; K258-A261 VanDerWaalsContact O-N 3.17Å; A261-Y263 VanDerWaalsContact C-N 3.33Å; A261-Y263 PolarHBondContact O-N 2.92Å; A261-R264 CarbonylContact O-C 3.55Å; A261-R264 WeakPolarHBondContact O-CB 3.49Å; A261-R264 PolarHBondContact O-N 3.2Å; A261-D265 WeakPolarHBondContact O-CB 3.39Å; A261-D265 PolarHBondContact O-N 2.91Å; A261-D265 VanDerWaalsContact O-OD1 3.06Å
262E96.8Very high96.3Very high117 Ų117101.4 Ų101.455%0.54750%0.497SS..Hα-helixtrans-58.6-41.7178.7-164.2166162.200112K258 D265 A266K258-E262 IonicContact NZ-OE2 3.29Å; K258-E262 WeakPolarHBondContact O-CB 3.36Å; K258-E262 PolarHBondContact O-N 3.48Å; E262-D265 PolarHBondContact O-N 2.9Å; E262-A266 WeakPolarHBondContact O-CB 3.48Å; E262-A266 PolarHBondContact O-N 3.39Å
263Y97.8Very high96.5Very high164 Ų164102.2 Ų102.264%0.64350%0.499SS*.Hα-helixtrans-62.9-44.9171.6178.4-94.4000113V259 A261 D265 Y267V259-Y263 WeakPolarHBondContact O-CB 3.33Å; V259-Y263 PolarHBondContact O-N 2.74Å; A261-Y263 VanDerWaalsContact C-N 3.33Å; A261-Y263 PolarHBondContact O-N 2.92Å; Y263-D265 VanDerWaalsContact C-N 3.26Å; Y263-D265 PolarHBondContact O-N 3.42Å; Y263-Y267 VanDerWaalsContact O-CB 3.27Å; Y263-Y267 WeakPolarHBondContact O-CB 3.39Å; Y263-Y267 PolarHBondContact O-N 2.93Å
264R97.7Very high96.2Very high151 Ų151103.3 Ų103.357%0.5750%0.498SS*.Hα-helixtrans-64.4-32.9176.2-75.3170.5-178.3157.35.9112Q260 A261 R268Q260-R264 WeakPolarHBondContact O-CB 3.27Å; Q260-R264 VanDerWaalsContact O-CG 3.24Å; Q260-R264 WeakPolarHBondContact O-CG 3.39Å; Q260-R264 PolarHBondContact O-N 3.34Å; A261-R264 CarbonylContact O-C 3.55Å; A261-R264 WeakPolarHBondContact O-CB 3.49Å; A261-R264 PolarHBondContact O-N 3.2Å; R264-R268 WeakPolarHBondContact O-CG 3.41Å; R264-R268 PolarHBondContact O-N 3.36Å; R264-R268 VanDerWaalsContact O-N 3.1Å; R264-R268 PolarHBondContact O-NH1 3.17Å
265D97.7Very high95.8Very high83 Ų83100.2 Ų100.244%0.44449%0.494SS..Hα-helixtrans-74.7-49.5-179.2-77.731.3000110.4A261 E262 Y263 Y267 R268 E269A261-D265 WeakPolarHBondContact O-CB 3.39Å; A261-D265 PolarHBondContact O-N 2.91Å; A261-D265 VanDerWaalsContact O-OD1 3.06Å; E262-D265 PolarHBondContact O-N 2.9Å; Y263-D265 VanDerWaalsContact C-N 3.26Å; Y263-D265 PolarHBondContact O-N 3.42Å; D265-Y267 VanDerWaalsContact C-N 3.27Å; D265-Y267 PolarHBondContact O-N 3.17Å; D265-R268 PolarHBondContact O-N 3.33Å; D265-R268 VanDerWaalsContact O-N 3.14Å; D265-R268 IonicContact OD1-CZ 2.68Å; D265-R268 IonicContact OD1-NH1 3.16Å; D265-R268 PolarHBondContact OD1-NH1 3.32Å; D265-R268 IonicContact OD1-NH2 2.8Å; D265-R268 PolarHBondContact OD1-NH2 3.39Å; D265-R268 IonicContact OD2-NH2 2.66Å; D265-R268 PolarHBondContact OD2-NH2 2.85Å; D265-E269 PolarHBondContact O-N 2.91Å
266A97.4Very high95Very high59 Ų59102 Ų10249%0.48850%0.499SS..Hα-helixtrans-58.5-36.6171.900000112.6E262 E269 Y270E262-A266 WeakPolarHBondContact O-CB 3.48Å; E262-A266 PolarHBondContact O-N 3.39Å; A266-E269 PolarHBondContact O-N 3.06Å; A266-Y270 WeakPolarHBondContact O-CB 3.46Å; A266-Y270 PolarHBondContact O-N 2.82Å
267Y97.8Very high93.9Very high132 Ų132105.3 Ų105.352%0.51851%0.514SS..Hα-helixtrans-69.5-37.4176-171.3-107.5000112.9Y263 D265 I271Y263-Y267 VanDerWaalsContact O-CB 3.27Å; Y263-Y267 WeakPolarHBondContact O-CB 3.39Å; Y263-Y267 PolarHBondContact O-N 2.93Å; D265-Y267 VanDerWaalsContact C-N 3.27Å; D265-Y267 PolarHBondContact O-N 3.17Å; Y267-I271 HydrophobicContact CD1-CD1 3.91Å; Y267-I271 HydrophobicContact CE1-CD1 3.52Å; Y267-I271 HydrophobicContact CE1-CG1 4.48Å; Y267-I271 WeakPolarHBondContact O-CG1 3.43Å; Y267-I271 PolarHBondContact O-N 2.94Å; Y267-I271 VanDerWaalsContact O-N 3.11Å
268R97Very high92.5Very high139 Ų139109.4 Ų109.453%0.52553%0.53SS..Hα-helixtrans-66.1-39.8171.1-72.9-168.3-43.6-77.110111.6R264 D265 I271 A272R264-R268 WeakPolarHBondContact O-CG 3.41Å; R264-R268 PolarHBondContact O-N 3.36Å; R264-R268 VanDerWaalsContact O-N 3.1Å; R264-R268 PolarHBondContact O-NH1 3.17Å; D265-R268 PolarHBondContact O-N 3.33Å; D265-R268 VanDerWaalsContact O-N 3.14Å; D265-R268 IonicContact OD1-CZ 2.68Å; D265-R268 IonicContact OD1-NH1 3.16Å; D265-R268 PolarHBondContact OD1-NH1 3.32Å; D265-R268 IonicContact OD1-NH2 2.8Å; D265-R268 PolarHBondContact OD1-NH2 3.39Å; D265-R268 IonicContact OD2-NH2 2.66Å; D265-R268 PolarHBondContact OD2-NH2 2.85Å; R268-I271 PolarHBondContact O-N 3.42Å; R268-A272 PolarHBondContact O-N 3.35Å
269E96Very high90.6Very high117 Ų117105.7 Ų105.755%0.54753%0.529SS..Hα-helixtrans-65-45.3176.4-161.7-169.7149.400111.3D265 A266 I271 A272 Q273D265-E269 PolarHBondContact O-N 2.91Å; A266-E269 PolarHBondContact O-N 3.06Å; E269-I271 VanDerWaalsContact C-N 3.31Å; E269-I271 PolarHBondContact O-N 2.86Å; E269-A272 CarbonylContact O-C 3.24Å; E269-A272 WeakPolarHBondContact O-CA 3.24Å; E269-A272 WeakPolarHBondContact O-CB 3.45Å; E269-A272 PolarHBondContact O-N 3.14Å; E269-Q273 HydrophobicContact CG-CG 4.44Å; E269-Q273 WeakPolarHBondContact O-CG 3.36Å; E269-Q273 PolarHBondContact O-N 2.9Å; E269-Q273 PolarHBondContact OE1-NE2 2.79Å
270Y96.4Very high88.2Confident129 Ų129104.8 Ų104.851%0.50654%0.536SS..Hα-helixtrans-55.5-44.6174.4173.1-102.2000112.1A266 A272 Q273 M274A266-Y270 WeakPolarHBondContact O-CB 3.46Å; A266-Y270 PolarHBondContact O-N 2.82Å; Y270-A272 VanDerWaalsContact C-N 3.32Å; Y270-A272 PolarHBondContact O-N 2.85Å; Y270-Q273 PolarHBondContact O-N 3Å; Y270-M274 HydrophobicContact CD1-CG 4.44Å; Y270-M274 HydrophobicContact CD2-CG 4.11Å; Y270-M274 HydrophobicContact CE1-CG 4.01Å; Y270-M274 HydrophobicContact CE2-CG 3.65Å; Y270-M274 HydrophobicContact CE2-SD 4.02Å; Y270-M274 HydrophobicContact CG-CG 4.49Å; Y270-M274 WeakPolarHBondContact O-CB 3.4Å; Y270-M274 VanDerWaalsContact O-CG 3.31Å; Y270-M274 WeakPolarHBondContact O-CG 3.4Å; Y270-M274 PolarHBondContact O-N 3.05Å
271I95.8Very high86Confident86 Ų86108 Ų10844%0.44156%0.562SS.*Hα-helixtrans-61.3-40.9174.2-70.6169.2000111.3Y267 R268 E269 M274 S275Y267-I271 HydrophobicContact CD1-CD1 3.91Å; Y267-I271 HydrophobicContact CE1-CD1 3.52Å; Y267-I271 HydrophobicContact CE1-CG1 4.48Å; Y267-I271 WeakPolarHBondContact O-CG1 3.43Å; Y267-I271 PolarHBondContact O-N 2.94Å; Y267-I271 VanDerWaalsContact O-N 3.11Å; R268-I271 PolarHBondContact O-N 3.42Å; E269-I271 VanDerWaalsContact C-N 3.31Å; E269-I271 PolarHBondContact O-N 2.86Å; I271-M274 PolarHBondContact O-N 2.75Å; I271-S275 WeakPolarHBondContact O-CB 3.31Å; I271-S275 PolarHBondContact O-N 2.99Å; I271-S275 PolarHBondContact O-OG 2.79Å
272A95.1Very high83.8Confident46 Ų46109.3 Ų109.338%0.3858%0.58SS.*Hα-helixtrans-70.9-29.2177.700000113.8R268 E269 Y270 S275 Q276R268-A272 PolarHBondContact O-N 3.35Å; E269-A272 CarbonylContact O-C 3.24Å; E269-A272 WeakPolarHBondContact O-CA 3.24Å; E269-A272 WeakPolarHBondContact O-CB 3.45Å; E269-A272 PolarHBondContact O-N 3.14Å; Y270-A272 VanDerWaalsContact C-N 3.32Å; Y270-A272 PolarHBondContact O-N 2.85Å; A272-S275 PolarHBondContact O-OG 2.94Å; A272-Q276 WeakPolarHBondContact O-CG 3.46Å; A272-Q276 PolarHBondContact O-NE2 3.02Å
273Q94.3Very high81.1Confident106 Ų106108.4 Ų108.450%0.49559%0.586SS.*Hα-helixtrans-72.9-44.6172-68.9179.813.800110.7E269 Y270 Q276E269-Q273 HydrophobicContact CG-CG 4.44Å; E269-Q273 WeakPolarHBondContact O-CG 3.36Å; E269-Q273 PolarHBondContact O-N 2.9Å; E269-Q273 PolarHBondContact OE1-NE2 2.79Å; Y270-Q273 PolarHBondContact O-N 3Å; Q273-Q276 PolarHBondContact O-N 3.1Å
274M88.6Confident78.5Confident84 Ų84107 Ų10741%0.41460%0.601SS.*Hα-helixtrans-69-35.8179.9-68.5-57.9-62.600113.1Y270 I271 Q276 L277 E278Y270-M274 HydrophobicContact CD1-CG 4.44Å; Y270-M274 HydrophobicContact CD2-CG 4.11Å; Y270-M274 HydrophobicContact CE1-CG 4.01Å; Y270-M274 HydrophobicContact CE2-CG 3.65Å; Y270-M274 HydrophobicContact CE2-SD 4.02Å; Y270-M274 HydrophobicContact CG-CG 4.49Å; Y270-M274 WeakPolarHBondContact O-CB 3.4Å; Y270-M274 VanDerWaalsContact O-CG 3.31Å; Y270-M274 WeakPolarHBondContact O-CG 3.4Å; Y270-M274 PolarHBondContact O-N 3.05Å; I271-M274 PolarHBondContact O-N 2.75Å; M274-Q276 VanDerWaalsContact C-N 3.28Å; M274-Q276 PolarHBondContact O-N 3.11Å; M274-L277 HydrophobicContact CE-CD2 4.39Å; M274-L277 WeakPolarHBondContact O-CB 3.46Å; M274-L277 PolarHBondContact O-N 3.44Å; M274-E278 PolarHBondContact O-N 3.47Å
275S87.1Confident75.8Confident72 Ų72104.9 Ų104.950%0.50361%0.605SS.*Hα-helixtrans-66.1-29.3176.965.20000113.1I271 A272 L277 G279I271-S275 WeakPolarHBondContact O-CB 3.31Å; I271-S275 PolarHBondContact O-N 2.99Å; I271-S275 PolarHBondContact O-OG 2.79Å; A272-S275 PolarHBondContact O-OG 2.94Å; S275-L277 VanDerWaalsContact C-N 3.27Å; S275-L277 PolarHBondContact O-N 3.41Å; S275-G279 PolarHBondContact O-N 2.69Å; S275-G279 VanDerWaalsContact O-N 3.15Å
276Q78.2Confident73.4Confident148 Ų148109 Ų10969%0.69263%0.625SS**Hα-helixtrans-70.8-20.6171.1-72.8173.191.600113.2A272 Q273 M274A272-Q276 WeakPolarHBondContact O-CG 3.46Å; A272-Q276 PolarHBondContact O-NE2 3.02Å; Q273-Q276 PolarHBondContact O-N 3.1Å; M274-Q276 VanDerWaalsContact C-N 3.28Å; M274-Q276 PolarHBondContact O-N 3.11Å
277L73.6Confident70.4Confident136 Ų136111.6 Ų111.671%0.71264%0.639SS**Hα-helixtrans-86.1-29.1178.1-17061.4000112.6M274 S275M274-L277 HydrophobicContact CE-CD2 4.39Å; M274-L277 WeakPolarHBondContact O-CB 3.46Å; M274-L277 PolarHBondContact O-N 3.44Å; S275-L277 VanDerWaalsContact C-N 3.27Å; S275-L277 PolarHBondContact O-N 3.41Å
278E65.2Low67.7Low181 Ų181109.3 Ų109.385%0.84666%0.656SS**Hα-helixtrans-79.8-25.1171.9-163.7163.7-157.100112.1M274 G280M274-E278 PolarHBondContact O-N 3.47Å; E278-G280 VanDerWaalsContact C-N 3.28Å; E278-G280 PolarHBondContact O-N 2.91Å
279G59.4Low65Low55 Ų55113.9 Ų113.957%0.56767%0.673SS**SBendtrans-70.773168.200000113.5S275S275-G279 PolarHBondContact O-N 2.69Å; S275-G279 VanDerWaalsContact O-N 3.15Å
280G45.6Very low62.1Low63 Ų63114.2 Ų114.265%0.64969%0.688SS**  trans-51.8147.8-171.600000116.8E278 G282E278-G280 VanDerWaalsContact C-N 3.28Å; E278-G280 PolarHBondContact O-N 2.91Å; G280-G282 PolarHBondContact O-N 3.29Å
281T51.8Low59.3Low156 Ų156113.4 Ų113.496%0.95770%0.702SS**SBendtrans-40.1111-172.753.30000115.9
282G50.5Low56.6Low71 Ų71115 Ų11573%0.73272%0.718SS**  trans-164137.417200000114.6G280G280-G282 PolarHBondContact O-N 3.29Å
283S39.8Very low53.4Low98 Ų98121.4 Ų121.469%0.68574%0.739SS**  trans67.378.2169.4-1500000119.2T285S283-T285 VanDerWaalsContact C-N 3.32Å; S283-T285 PolarHBondContact O-N 2.95Å; S283-T285 PolarHBondContact OG-OG1 3.24Å
284S44Very low50.3Low135 Ų135121.4 Ų121.494%0.94475%0.751SS**  trans-68.586.8151.7-65.10000110.9
285T40.5Very low47.7Very low107 Ų107122.4 Ų122.466%0.65676%0.762SS**  trans-136.1117.9170.548.70000111.2S283 S287S283-T285 VanDerWaalsContact C-N 3.32Å; S283-T285 PolarHBondContact O-N 2.95Å; S283-T285 PolarHBondContact OG-OG1 3.24Å; T285-S287 PolarHBondContact O-N 3.39Å
286I47.8Very low45Very low169 Ų169128.5 Ų128.587%0.86778%0.775SS**  trans-76.9112.9176.6-167.9169.2000110.5
287S34.2Very low42.8Very low113 Ų113130.8 Ų130.879%0.7978%0.779SS**  trans-162.779170.6-83.70000111.3T285 R289T285-S287 PolarHBondContact O-N 3.39Å; S287-R289 PolarHBondContact O-N 3.38Å
288G41.3Very low40.9Very low84 Ų84131.6 Ų131.687%0.86678%0.782SS**  trans-75.283.5174.300000112.3
289R39.8Very low39.2Very low236 Ų236126.7 Ų126.789%0.89178%0.78SS**  trans-163.794164.2-124.8176-177.4-102.23.9114.5S287S287-R289 PolarHBondContact O-N 3.38Å
290S34.3Very low37.8Very low123 Ų123132.6 Ų132.686%0.8679%0.793SS**  trans179.1141.6131.938.40000111.5
291S39.3Very low37.1Very low113 Ų113134.8 Ų134.879%0.7980%0.799SS**  trans-86.7136.2169-177.90000109.4H293S291-H293 PolarHBondContact O-N 3.23Å
292P37.8Very low36.1Very low119 Ų119133.3 Ų133.377%0.77380%0.795SS**  trans-84.696.7-177.132.8-33.6000112.1
293H28.3Very low35.2Very low181 Ų181135.9 Ų135.984%0.83880%0.801SS**  trans-144.197.1155.2-136.368.6000114.3S291S291-H293 PolarHBondContact O-N 3.23Å
294S29.2Very low34.8Very low105 Ų105134.6 Ų134.673%0.73480%0.803SS**  trans-152.2146.7165.9-163.70000105
295T34.1Very low34.1Very low105 Ų105132.3 Ų132.364%0.64480%0.801SS**  cis-161.7135.630.1-47.60000111.3
296Y30.8Very low33.7Very low201 Ų201132.8 Ų132.879%0.78881%0.809SS**  trans-151.9137.5149.9-35-85000107.7
297Y31.8Very low33Very low196 Ų196131.4 Ų131.477%0.76980%0.802SS**  cis-158148.80.3-118.7-48.5000110.1
298I33.1Very low32.9Very low152 Ų152134.3 Ų134.378%0.77980%0.802SS**  trans54.6126.2152-72.4155.6000120
299G29Very low32.5Very low78 Ų78134.9 Ų134.980%0.80479%0.793SS**  trans-173.294166.500000113.8
300Q30.2Very low31.9Very low180 Ų180130.1 Ų130.184%0.84179%0.785SS**  trans-73.8138.7-176.9-59163.7-15.900112.8
301S31.3Very low31.7Very low109 Ų109130.9 Ų130.976%0.76278%0.779SS**  154.8120.3117.4-71.10000117
302S30.6Very low31.6Very low125 Ų125132.7 Ų132.787%0.87478%0.775SS**  trans63.5160.9130-147.10000123
303S32.6Very low31.4Very low125 Ų125134.6 Ų134.687%0.87477%0.774SS**  trans67.1142.2-176.8-155.30000115.1
304G31.7Very low31.7Very low70 Ų70132.3 Ų132.372%0.72276%0.763SS**  cis178.2127.9-6.200000108.9
305G29.5Very low31.7Very low87 Ų87137.3 Ų137.390%0.89777%0.766SS**  trans-89.8162.7-165.200000116
306S31.1Very low31.7Very low118 Ų118135.6 Ų135.683%0.82577%0.769SS**  trans-145.186.8166-169.80000113.4
307I34.3Very low31.9Very low139 Ų139135.4 Ų135.471%0.71377%0.773SS**  trans-15.9129.4151.939.5171.4000119.7
308H30.3Very low31.6Very low174 Ų174133 Ų13381%0.80677%0.768SS**  72.5156.6126.6-69.9-161000119.9
309S33.1Very low31.4Very low96 Ų96131.9 Ų131.967%0.67176%0.764SS**  cis-168.7-156.8-11.756.90000110.9
310N26.9Very low31.3Very low136 Ų136136.7 Ų136.773%0.72777%0.765SS**  trans87.9137.6178.6-83.9-105.5000116.8
311L30.8Very low31.3Very low139 Ų139135.1 Ų135.173%0.72876%0.762SS**  cis-145170.8-0.3-175.854000112.5
312E36.9Very low31.2Very low151 Ų151139 Ų13971%0.70677%0.765SS**  trans-66.6-170-174.3-57.8173.2139.200115
313Q33.5Very low31.2Very low160 Ų160141.4 Ų141.475%0.74876%0.763SS**  cis-175.5145.536.1-148.11608200107.8
314E34.2Very low30.9Very low132 Ų132143.6 Ų143.662%0.61776%0.759SS**  cis-163.4173.3-3.9-158.3-145.3136.600109.6
315R30.6Very low30.7Very low211 Ų211146.2 Ų146.280%0.79675%0.752SS**  trans71.6130.8163.1-52.9179.8-165.3-123.2-19.3119.6
316G33.3Very low30.8Very low69 Ų69144.7 Ų144.771%0.71174%0.737SS**  cis149.4152.4-15.100000115.2
317K35.4Very low31.1Very low197 Ų197148.1 Ų148.186%0.85773%0.732SS**  trans78.5140174.4-61.1-170.9-179.7-166.30116.7
318E26.1Very low31.1Very low144 Ų144150.5 Ų150.567%0.67374%0.737SS**  cis-171.6120.5-10.6179.3-164.7107.500110.6
319N28.8Very low30.9Very low129 Ų129145.6 Ų145.669%0.6972%0.722SS**  175.4140.5119.5-99.1-64.1000116.4
320E27Very low30.5Very low179 Ų179150 Ų15084%0.83673%0.73SS**  trans48.8135.8154.6-145.9156.5104.200125.5
321L29.8Very low30.7Very low147 Ų147150.9 Ų150.977%0.7773%0.734SS**  trans-118125.2165.1-81.4164.3000106.9
322K29.6Very low30.5Very low190 Ų190151.2 Ų151.283%0.82673%0.733SS**  75.397.878.7-168.4-178.3-175.1175.70114.7
323Q28.7Very low30.2Very low177 Ų177151.4 Ų151.483%0.82773%0.731SS**  trans-132.6139.3156.5-80.5-177.612.300107.2
324E27.4Very low30.1Very low171 Ų171154.3 Ų154.380%0.79974%0.736SS**  66.3141.978.7-110-167.8144.100113.8
325E27.9Very low29.8Very low124 Ų124151.2 Ų151.258%0.57974%0.739SS**  cis-153.4150.64.2-166.7-131.3122.800110.7R327E325-R327 VanDerWaalsContact CD-NH2 3.3Å; E325-R327 IonicContact OE1-CZ 3.32Å; E325-R327 VanDerWaalsContact OE1-CZ 3.32Å; E325-R327 IonicContact OE1-NE 2.72Å; E325-R327 PolarHBondContact OE1-NE 3.24Å; E325-R327 IonicContact OE1-NH2 3.07Å; E325-R327 PolarHBondContact OE1-NH2 3.01Å; E325-R327 VanDerWaalsContact OE1-NH2 3.07Å; E325-R327 IonicContact OE2-CZ 3.53Å; E325-R327 IonicContact OE2-NE 3.69Å; E325-R327 IonicContact OE2-NH2 2.7Å; E325-R327 PolarHBondContact OE2-NH2 3.47Å
326G31.3Very low29.8Very low55 Ų55148.8 Ų148.857%0.56774%0.742SS**  111127.212900000122.6
327R36.8Very low29.8Very low191 Ų191151.1 Ų151.172%0.72174%0.742SS**  88.5104.5123.6-63.2162.5-162.1-159.16.9121.4E325E325-R327 VanDerWaalsContact CD-NH2 3.3Å; E325-R327 IonicContact OE1-CZ 3.32Å; E325-R327 VanDerWaalsContact OE1-CZ 3.32Å; E325-R327 IonicContact OE1-NE 2.72Å; E325-R327 PolarHBondContact OE1-NE 3.24Å; E325-R327 IonicContact OE1-NH2 3.07Å; E325-R327 PolarHBondContact OE1-NH2 3.01Å; E325-R327 VanDerWaalsContact OE1-NH2 3.07Å; E325-R327 IonicContact OE2-CZ 3.53Å; E325-R327 IonicContact OE2-NE 3.69Å; E325-R327 IonicContact OE2-NH2 2.7Å; E325-R327 PolarHBondContact OE2-NH2 3.47Å
328K34.8Very low29.8Very low188 Ų188148.6 Ų148.682%0.81774%0.737SS**  34.6145.9118.969.3160.7-177.4-179.60119.9
329S26Very low30.1Very low72 Ų72148.4 Ų148.450%0.50374%0.741SS.*  cis174.9165.64.138.70000112.2
330F24.6Very low30.3Very low189 Ų189152.5 Ų152.583%0.82975%0.748SS**  trans87.3146155.3-52.4-60.8000122.1
331L30.7Very low30.5Very low154 Ų154148.2 Ų148.281%0.80674%0.737SS**  trans89.4111.4141.3-122.787.7000122.9
332M27.4Very low30.6Very low145 Ų145146.2 Ų146.271%0.71474%0.736SS**  trans16.4125.5132.8-6617361.500121.9
333K30.8Very low30.7Very low155 Ų155142.5 Ų142.567%0.67473%0.734SS**  95.8117.8110.9-178.6174.6-179.3172.60122.1
334R30.7Very low30.8Very low222 Ų222137.7 Ų137.784%0.83873%0.732SS**  trans90.1137.9141.3-169.8-155.8-74.7153.7-16119
335G28.7Very low31Very low66 Ų66135.9 Ų135.968%0.6873%0.733SS**  trans108.8102.5167.300000110.7
336D30.9Very low31.2Very low160 Ų160135 Ų13586%0.85674%0.74SS**  cis84.2145.542.4-160.415.4000113.6
337V32.4Very low31.2Very low118 Ų118138.1 Ų138.172%0.71575%0.748SS**  trans80.692.2176.5-168.80000118.5
338L36.5Very low31.1Very low144 Ų144135.1 Ų135.175%0.75475%0.746SS**  82123.4123.4-156.567.5000123.5
339D32.4Very low31.2Very low140 Ų140133.8 Ų133.875%0.74974%0.743SS**  trans65.6140.1148.8-67.5-12.4000126.6
340Y31.2Very low31.7Very low216 Ų216134 Ų13485%0.84775%0.75SS**  trans94113.6146.1-139.9-107.4000121.9
341S32.5Very low32.3Very low88 Ų88130.7 Ų130.762%0.61575%0.749SS**  trans68.5123.7147.3-72.50000123.6
342S30.7Very low32.9Very low105 Ų105129.1 Ų129.173%0.73475%0.748SS**  trans85.9119.6134.9-159.20000122.7
343S32.7Very low33.4Very low112 Ų112130 Ų13078%0.78376%0.756SS**  trans70.6124138.458.20000122.7
344G30.7Very low33.9Very low77 Ų77130 Ų13079%0.79476%0.763SS**  trans96.2161.1151.800000116.8
345V30.7Very low35Very low133 Ų133125.3 Ų125.381%0.80676%0.761SS**  cis-176.7138.9-2852.30000107.7
346S32.5Very low35.5Very low105 Ų105129.9 Ų129.973%0.73477%0.768SS**  trans63.2154.9169.4-67.10000117.7
347T31Very low35.7Very low121 Ų121128 Ų12874%0.74276%0.763SS**  cis-157.6165-11.715.80000109.6
348N34.5Very low36.8Very low127 Ų127132 Ų13268%0.67977%0.773SS**  trans-20.9153.8166.8-49.917.5000118.1
349E37.7Very low37.7Very low160 Ų160133.7 Ų133.775%0.74878%0.777SS**  -163.6164.558.8-97.2-53.3146.200115.9
350A36.3Very low38.5Very low78 Ų78133.4 Ų133.465%0.64578%0.776SS**  trans67.4112.615500000122.9
351S38.1Very low39.6Very low118 Ų118131.3 Ų131.383%0.82577%0.774SS**  trans88.6144.5139.4-63.70000120.8
352P43.4Very low39.9Very low121 Ų121134.3 Ų134.379%0.78678%0.776SS**  trans-90.7158.9-163.236.8-37.3000114.5
353L37.4Very low40.1Very low165 Ų165134.1 Ų134.186%0.86478%0.775SS**  trans-116136.9164.6-66.8174.7000109.2
354D40.9Very low40.2Very low155 Ų155135.3 Ų135.383%0.82977%0.772SS**  trans-67130.8177.8-63.4-64.1000111.3I356D354-I356 VanDerWaalsContact C-N 3.33Å; D354-I356 PolarHBondContact O-N 3.23Å
355P53.5Low40.4Very low122 Ų122139.2 Ų139.279%0.79277%0.77SS**  trans-75.885176.830.6-34000111.3
356I39.8Very low40.4Very low162 Ų162138.7 Ų138.783%0.83177%0.772SS**  trans25.9111.7150.350.2166.8000118.3D354D354-I356 VanDerWaalsContact C-N 3.33Å; D354-I356 PolarHBondContact O-N 3.23Å
357T35.4Very low40.4Very low122 Ų122136.9 Ų136.975%0.74877%0.77SS**  trans-68.8131158.943.90000111.2E359T357-E359 PolarHBondContact O-N 3.01Å; T357-E359 VanDerWaalsContact O-N 3.15Å
358E54Low40.3Very low200 Ų200135.8 Ų135.894%0.93577%0.767SS**  trans-76.190.9169.456.9-169.3136.600110.8
359E56.4Low40.4Very low180 Ų180138.2 Ų138.284%0.84177%0.772SS**PPolyproline II helixtrans-90.2127.8172.9-69.2-153.999.300112.1T357T357-E359 PolarHBondContact O-N 3.01Å; T357-E359 VanDerWaalsContact O-N 3.15Å
360D49.7Very low40.2Very low135 Ų135138.5 Ų138.572%0.72278%0.777SS**PPolyproline II helixtrans-74.1138.7-168.6168.454.7000114.8K362D360-K362 PolarHBondContact O-NZ 3.37Å; D360-K362 IonicContact OD2-NZ 3.13Å; D360-K362 PolarHBondContact OD2-NZ 3.03Å
361E54.1Low40.1Very low171 Ų171142.3 Ų142.380%0.79979%0.786SS**PPolyproline II helixtrans-59.1128.2-168.7-173.7-173.9119.900114
362K37.8Very low40.7Very low152 Ų152142.8 Ų142.866%0.66179%0.786SS**  trans-164.6127.4150.844.8-148.9116.2-49.80114.2D360D360-K362 PolarHBondContact O-NZ 3.37Å; D360-K362 IonicContact OD2-NZ 3.13Å; D360-K362 PolarHBondContact OD2-NZ 3.03Å
363S35.2Very low40Very low101 Ų101140.8 Ų140.871%0.70679%0.788SS**  trans-55.2158.6171.9-49.30000112.3
364D34.1Very low39.8Very low136 Ų136142.6 Ų142.673%0.72779%0.789SS**  -161.1-170.860.1-134.2-48.5000115.9
365Q35.3Very low39.4Very low160 Ų160144.4 Ų144.475%0.74879%0.789SS**  trans-92.2167.4-153.7-64.9155.258.100117.2
366S31.6Very low38.1Very low122 Ų122143.6 Ų143.685%0.85379%0.786SS**  trans80147.5156.3-56.80000118.6
367G32.1Very low37.6Very low67 Ų67141.4 Ų141.469%0.69179%0.785SS**  cis163.594.6-9.200000117.1
368S29.6Very low37.3Very low97 Ų97144.5 Ų144.568%0.67879%0.791SS**  trans73.4148.6152.7-122.90000120.5
369K35.9Very low36.5Very low179 Ų179146.1 Ų146.178%0.77879%0.789SS**  trans62.9113144-71160.1-167.7169.40117.6
370L34.6Very low36Very low165 Ų165142.9 Ų142.986%0.86478%0.784SS**  -176.8173.853.2-106155.7000112.9
371L32.7Very low35.3Very low158 Ų158141.3 Ų141.383%0.82778%0.783SS**  trans-96.8-173.5171.4-57.5173.8000110.8
372P50.8Low34.7Very low128 Ų128139 Ų13983%0.83178%0.776SS**  -126.2165.9-66.637.5-23.5000112.4
373G28.1Very low34.7Very low80 Ų80139.5 Ų139.583%0.82578%0.778SS**  trans-162.7132.2176.600000116.8
374K34.9Very low34.7Very low202 Ų202141.7 Ų141.788%0.87878%0.777SS**  trans-95.3136.5172.2-61.1170.9178.3174.90110.6
375K32.3Very low34.7Very low194 Ų194141.2 Ų141.284%0.84378%0.779SS**  148.4132.9119.171.9-155.9174-179.20116.2
376S25.8Very low34.7Very low104 Ų104138.6 Ų138.673%0.72777%0.771SS**  trans43.8135.813963.90000123.8
377S29.1Very low34.9Very low116 Ų116139 Ų13981%0.81176%0.763SS**  trans74.3148.8151.6-104.80000117.4
378E29.4Very low35.1Very low187 Ų187145 Ų14587%0.87477%0.77SS**  cis-131.7-172.910.2-68.5-163.999.400114.5
379R37.8Very low35.7Very low235 Ų235147 Ų14789%0.88777%0.772SS**  trans-111.5-166.8176.7-116.6-170.8176.5171.1-2.6109.2
380P46.1Very low35.6Very low112 Ų112148.1 Ų148.173%0.72778%0.777SS**  cis-102.3-147.1-6.633.5-14.4000110
381S33.6Very low35.5Very low101 Ų101143.3 Ų143.371%0.70677%0.767SS**  cis-162.2-172.22.6-141.90000107.1
382L41.1Very low35.5Very low123 Ų123142 Ų14264%0.64477%0.771SS**  cis-162146.1-3.8-177.869.4000105
383F38.7Very low34.7Very low163 Ų163138.8 Ų138.872%0.71576%0.761SS**  cis-87.3-151.7-12.3-77-81.9000108.7
384Q35.9Very low35.2Very low147 Ų147142.8 Ų142.869%0.68776%0.763SS**  cis68160.312.1-85.9-172-76.600115.9D386Q384-D386 PolarHBondContact NE2-OD2 3.15Å
385T32.5Very low35.5Very low125 Ų125144.7 Ų144.777%0.76776%0.764SS**  cis-100.6-132.26.859.30000114.4
386D35.9Very low35.5Very low106 Ų106145.7 Ų145.757%0.56776%0.764SS**  trans-161.2166-134.9-72.4-83.1000112.8Q384Q384-D386 PolarHBondContact NE2-OD2 3.15Å
387L37.1Very low35.9Very low131 Ų131149.4 Ų149.469%0.68677%0.77SS**  cis168.2122-27.8173.163.1000107.6
388K35.1Very low36Very low193 Ų193152.9 Ų152.984%0.83977%0.77SS**  trans-179.3144.7160.3-99.2138.279.6176.70113.2
389L41.6Very low36.7Very low138 Ų138151 Ų15172%0.72377%0.765SS**  cis-170.2154.2-22.3-153.475000111.2
390K34.2Very low37Very low203 Ų203144.3 Ų144.388%0.88375%0.753SS**  trans73.1137.4150.7-149.3176.2-173.3-178.50117
391G32.5Very low36.3Very low63 Ų63144 Ų14465%0.64975%0.753SS**  cis156.2149.4-9.800000113.4
392S32.3Very low37Very low132 Ų132147.2 Ų147.292%0.92376%0.763SS**  trans71.6150.4-179-1540000115.6
393G35.1Very low37Very low60 Ų60149.9 Ų149.962%0.61977%0.772SS**  cis144.6112-11.600000114.3
394L38.7Very low37.1Very low164 Ų164149.7 Ų149.786%0.85978%0.778SS**  trans52.3119163.1-56.9178.3000120.5
395R40Very low37.4Very low242 Ų242150.9 Ų150.991%0.91378%0.784SS**  trans-169.2160.2134.148.1-132.1-62.8141.8-5.5111.9
396Y32.7Very low37.4Very low214 Ų214150.7 Ų150.784%0.83979%0.787SS**  trans-103.1162.9-167.5-80.7-104.6000114.3
397Q34.7Very low37.2Very low183 Ų183148.4 Ų148.486%0.85579%0.789SS**  trans65.6135.7165.1-49.3-148.135.700115.6
398K32.1Very low37Very low188 Ų188148.6 Ų148.682%0.81780%0.796SS**  -168.5151.352.1173170.9179.4-172.90110.9
399L43Very low37.2Very low147 Ų147146.7 Ų146.777%0.7779%0.79SS**  trans-93.9148.7164.3-61.6174000109.4
400P44.8Very low36.9Very low96 Ų96148.3 Ų148.362%0.62379%0.794SS**  -113163.676.80.122.3000111.6
401S31.5Very low37.2Very low104 Ų104143.5 Ų143.573%0.72779%0.786SS**  cis69.8134.149.1-65.70000115.2
402D46.8Very low37.5Very low170 Ų170147 Ų14791%0.90979%0.789SS**  trans-42.7148.6160.5-101-25.6000111.9
403E42.4Very low37.5Very low178 Ų178147.1 Ų147.183%0.83278%0.78SS**  trans-121.9145.9169.2-65.9-168.4127.600110.3
404D39.5Very low37.6Very low159 Ų159149.3 Ų149.385%0.8578%0.781SS**  trans-87.4161.1-157.4-111.9-48.1000116.1
405E43.1Very low37.6Very low172 Ų172147.8 Ų147.880%0.80478%0.781SS**  trans15.2147.6141.6-163.616493.300122.6
406S32.3Very low37.5Very low121 Ų121143.8 Ų143.885%0.84678%0.777SS**  trans76.1147.1168.178.80000117.2
407G31.7Very low37.9Very low59 Ų59140.8 Ų140.861%0.60878%0.775SS**  cis176.5174.2-5.100000111.1
408T34Very low38.1Very low134 Ų134141.7 Ų141.782%0.82278%0.776SS**  trans60.9156.7174.931.50000116
409E37.4Very low38.4Very low154 Ų154139 Ų13972%0.7277%0.77SS**  cis-149.7154.6-8.851.5-120.990.100113
410E36.9Very low38.2Very low172 Ų172139.2 Ų139.280%0.80477%0.772SS**  trans27.8167.1151.181.1-178173.500127.5
411S39.6Very low37.7Very low102 Ų102143.7 Ų143.771%0.71378%0.782SS**  trans77.580.2159.467.80000121
412D39.7Very low37.9Very low135 Ų135144.9 Ų144.972%0.72278%0.78SS**  6.1125.7114.8-179.235.8000118.3
413N31.1Very low37.3Very low136 Ų136145.8 Ų145.873%0.72778%0.776SS**  -178152.7121.3-106.6-92.7000114.4
414T37.3Very low36.8Very low105 Ų105147.3 Ų147.364%0.64478%0.78SS**  trans-70.2149.6-179.533.30000114.8L416T414-L416 PolarHBondContact O-N 2.91Å
415P39.3Very low36.6Very low132 Ų132144.1 Ų144.186%0.85778%0.776SS**  trans-77.3101.2170.631.5-32.8000111
416L37.8Very low35.9Very low158 Ų158143.5 Ų143.583%0.82777%0.773SS**  trans-79.1139.1171.3-89.5167.1000112.3T414T414-L416 PolarHBondContact O-N 2.91Å
417L40.2Very low36Very low152 Ų152140.8 Ų140.880%0.79676%0.764SS**  trans-62151.2166.6-74.9164.2000111.2
418K40.8Very low36.1Very low202 Ų202146.4 Ų146.488%0.87877%0.772SS**  trans-139.4128.6160-76.3-172.7173.6169.90109.8
419D37.1Very low36.1Very low130 Ų130144.1 Ų144.170%0.69577%0.767SS**  trans-92.5175.7-169.3-48.6-90.5000113.6
420D39.6Very low35.8Very low152 Ų152144 Ų14481%0.81377%0.766SS**  trans63.5141.3162.8-66.1-43.6000118.2
421K34Very low35.6Very low190 Ų190145.5 Ų145.583%0.82676%0.764SS**  -171160.257.1-161.3157.8-169143.50113.8
422D36.2Very low35.2Very low129 Ų129146.6 Ų146.669%0.6977%0.766SS**  trans-68.8150.1-174.9-37.2-107.3000116.8
423K34.6Very low34.8Very low190 Ų190143.8 Ų143.883%0.82676%0.762SS**  171.8142.1106.4-97.7152.2-172.4170.60116.6
424K31.8Very low34.7Very low209 Ų209147 Ų14791%0.90977%0.769SS**  trans67.7157159.9-69.9-172.2172.5-171.30116.4
425A34.1Very low34.1Very low92 Ų92146.9 Ų146.976%0.7677%0.773SS**  cis-142.2154.710.100000115.3
426E28.4Very low34Very low159 Ų159146.5 Ų146.574%0.74377%0.77SS**  trans8.9134.8153.4-165.8172.8-179.700123.5K428E426-K428 WeakPolarHBondContact OE1-CE 3.43Å; E426-K428 IonicContact OE1-NZ 3.08Å; E426-K428 PolarHBondContact OE1-NZ 3.25Å
427G34Very low33.6Very low65 Ų65147.2 Ų147.267%0.6777%0.769SS**  trans154.692160.100000111.6
428K34.6Very low33.1Very low176 Ų176148 Ų14877%0.76577%0.768SS**  47.5119.380.8-68172.4178.8158.20112.8E426E426-K428 WeakPolarHBondContact OE1-CE 3.43Å; E426-K428 IonicContact OE1-NZ 3.08Å; E426-K428 PolarHBondContact OE1-NZ 3.25Å
429A33.3Very low32.5Very low86 Ų86144.1 Ų144.171%0.71177%0.767SS**  cis-161.6178.8-0.400000111.7
430E30.6Very low32.4Very low151 Ų151143.1 Ų143.171%0.70677%0.766SS**  trans51.5126.9137.6-164.2154.6-153.800120.3
431R34.5Very low32.1Very low205 Ų205144.2 Ų144.277%0.77477%0.766SS**  cis-173.8167.9-7.2-116-179.1-167.8158.3-8.9109.3
432V29.7Very low32.8Very low124 Ų124140.2 Ų140.275%0.75276%0.759SS**  trans60.4107.5138.4173.50000120
433A31.1Very low32.7Very low76 Ų76141.9 Ų141.963%0.62877%0.766SS**  90.4118.6126.900000123.5
434K28.8Very low32.7Very low204 Ų204142.6 Ų142.689%0.88776%0.764SS**  75.5136.9123.4-66.5176.7-178.6-176.10120
435S25.6Very low33Very low103 Ų103139.6 Ų139.672%0.7276%0.763SS**  trans-71.9173.1157.861.40000111
436P37.8Very low33.1Very low123 Ų123143.2 Ų143.280%0.79976%0.762SS**  -136-1757738.7-23.7000114.2
437E27.9Very low33.8Very low173 Ų173143.5 Ų143.581%0.80877%0.767SS**  trans-88.7176.7-172.9-60.3150.291.600114.5
438H31.1Very low33.9Very low168 Ų168149.9 Ų149.978%0.77878%0.776SS**  trans80.5112.2141.9-133-35.1000120.2
439S28.8Very low34.2Very low121 Ų121146.2 Ų146.285%0.84678%0.778SS**  trans-174.4167.6134.729.80000110.3
440V34.2Very low34.3Very low110 Ų110149.4 Ų149.467%0.66778%0.776SS**  trans-133.9133.7-163.5173.70000111
441E32.1Very low34.5Very low175 Ų175150.3 Ų150.382%0.81878%0.781SS**  trans61.5175165.9-72.9-177.7-172.800117.3
442P50.4Low34.8Very low106 Ų106149 Ų14969%0.68878%0.777SS**  -132.4176.2-63.839.2-24.9000112
443I32.8Very low35.2Very low163 Ų163150.4 Ų150.484%0.83678%0.78SS**  trans-174.4143.8133.2-98.6153.8000113.5
444R35.7Very low35.3Very low206 Ų206152.2 Ų152.278%0.77779%0.788SS**  trans-46.3143.2-178.4-55.2155.3-179163.5-0.4116.1F446R444-F446 HydrophobicContact CB-CE2 4.31Å; R444-F446 HydrophobicContact CG-CE2 4.49Å
445T37.6Very low35.8Very low145 Ų145150.2 Ų150.289%0.8979%0.786SS**  trans-134.3142.6136.1-34.70000109.3
446F35.7Very low36.3Very low168 Ų168149 Ų14974%0.73778%0.783SS**  trans-101.6155.3-179.2-70.2-100.9000111.5R444R444-F446 HydrophobicContact CB-CE2 4.31Å; R444-F446 HydrophobicContact CG-CE2 4.49Å
447I44.5Very low36.6Very low166 Ų166150.7 Ų150.785%0.85178%0.784SS**  trans160.9101.7148.7-86.3152.2000105.9
448K35.5Very low37.8Very low199 Ų199149.7 Ų149.787%0.86578%0.784SS**  94.780.660.8-173.1-164.5174.5-177.90113.2
449A39.7Very low38.7Very low98 Ų98148.5 Ų148.581%0.8178%0.783SS**  trans-158.480.5152.700000108.2
450K35.8Very low39.7Very low153 Ų153151.8 Ų151.867%0.66578%0.782SS**  57.5102.1102.2-165.3-177.5-178.9-170.50113.6Y452K450-Y452 HydrophobicContact CD-CE2 4.16Å; K450-Y452 PolarHBondContact NZ-OH 3.15Å
451E35.3Very low40.7Very low171 Ų171155.8 Ų155.880%0.79979%0.79SS**  trans-65152.5173.3-48.294.7141.100112.7
452Y41Very low41.7Very low176 Ų176154.3 Ų154.369%0.6979%0.788SS**  trans-144.4125.8154.4-98.3-86.8000110.6K450K450-Y452 HydrophobicContact CD-CE2 4.16Å; K450-Y452 PolarHBondContact NZ-OH 3.15Å
453L38Very low41.2Very low155 Ų155155 Ų15581%0.81280%0.796SS**  trans62.7106.5155.6-57.3169.7000118.6
454S34Very low41.9Very low114 Ų114153.1 Ų153.180%0.79780%0.797SS**  trans-100.9160.7144.8-52.40000109.2
455D38.3Very low42.2Very low161 Ų161150.7 Ų150.786%0.86180%0.8SS**  trans62.4143.7-179.6-71.6-22.8000116.4
456A36.7Very low42.6Very low78 Ų78148.9 Ų148.965%0.64579%0.793SS**  cis-149.7172.718.700000113.1
457L43.1Very low42.9Very low159 Ų159143.9 Ų143.983%0.83279%0.789SS**  trans72.6127157.8-64.8163.3000115.8
458L53Low43Very low151 Ų151142.5 Ų142.579%0.79179%0.788SS**  cis-138.2138.812.1-95.2148000112.2
459D51.3Low43.4Very low143 Ų143143.5 Ų143.577%0.76579%0.786SS**  trans-67.2125.4151.3159.644.7000109.5
460K49.7Very low43.3Very low190 Ų190145 Ų14583%0.82679%0.79SS**  trans-172.9145.6139.8-110.9168.7-175.4178.80113.8
461K55.6Low43.2Very low194 Ų194143.5 Ų143.584%0.84379%0.79SS**  trans90.2117.7157.2-165.2171.6-179178.70116.8
462D51.7Low43.2Very low144 Ų144142.8 Ų142.877%0.7779%0.786SS**  trans-47.3135.4164.5-60.3-103.6000113.9
463S40Very low42.8Very low122 Ų122139 Ų13985%0.85379%0.785SS**  trans-146.8117.6139.9-84.70000107.7
464S48.2Very low43.1Very low123 Ų123136.8 Ų136.886%0.8678%0.783SS**  trans-74.8135.7170.7-56.40000110.3
465D41.9Very low43.6Very low155 Ų155137.6 Ų137.683%0.82979%0.786SS**  trans-139.6137.5155.5-172.618.7000109.7G467D465-G467 PolarHBondContact O-N 2.9Å
466S45.8Very low43.4Very low106 Ų106136.9 Ų136.974%0.74178%0.782SS**  trans-103.664.4-168.3570000111.7V468S466-V468 PolarHBondContact O-N 2.66Å
467G41.9Very low43.1Very low64 Ų64141.7 Ų141.766%0.6679%0.791SS**  trans-7287.5175.100000112.8D465 R469D465-G467 PolarHBondContact O-N 2.9Å; G467-R469 PolarHBondContact O-N 2.94Å
468V46.9Very low42.7Very low136 Ų136138.3 Ų138.382%0.82478%0.78SS**  trans-60.1130.7175-71.50000111.8S466S466-V468 PolarHBondContact O-N 2.66Å
469R43.9Very low41.8Very low221 Ų221138.7 Ų138.783%0.83478%0.782SS**  trans-133.7101.4173.5-61-176.794.6137.54.9109.7G467 N471G467-R469 PolarHBondContact O-N 2.94Å; R469-N471 PolarHBondContact O-N 2.77Å
470S36.9Very low40.8Very low129 Ų129139.5 Ų139.590%0.90278%0.781SS**  trans-83107.4168.9-580000108.8
471N33.3Very low40.1Very low121 Ų121135.8 Ų135.865%0.64777%0.77SS**  trans-101.7140.8176.2-104.383.9000110.5R469R469-N471 PolarHBondContact O-N 2.77Å
472E35.4Very low39.4Very low156 Ų156134.9 Ų134.973%0.72977%0.769SS**  trans67.1128.1145.8-126.262.7-117.100119.3
473S33.3Very low38.6Very low96 Ų96132.2 Ų132.267%0.67177%0.767SS**  cis-168162.6-25.2-106.50000109
474S45.1Very low38.5Very low109 Ų109130.7 Ų130.776%0.76276%0.762SS**  trans-74.1166.2170.8-480000112.5
475P43.6Very low37.8Very low132 Ų132132.4 Ų132.486%0.85776%0.762SS**  -146.2-174.8105.236.8-19.2000115.7
476N33.5Very low37.2Very low145 Ų145131.2 Ų131.278%0.77576%0.755SS**  trans-103.5176.3-163.5-71.2-68.4000116.3
477H32.2Very low36.7Very low180 Ų180132 Ų13283%0.83376%0.76SS**  trans78.2145.4156.9-95.1-78.8000117.8
478S33.8Very low36.3Very low88 Ų88136.7 Ų136.762%0.61577%0.765SS**  cis-163.7-178.913.8-156.30000113.8
479L33.9Very low35.8Very low159 Ų159137.1 Ų137.183%0.83276%0.762SS**  trans79158.6164.9-52.2-177.7000119
480H29.9Very low35.3Very low160 Ų160134 Ų13474%0.74176%0.757SS**  cis-175.1167-34.9-169.629.3000109.2
481N34.5Very low35.3Very low112 Ų112136.1 Ų136.160%0.59975%0.75SS**  trans66.5131.2-179.9-70.724.6000116.5
482E42.8Very low35.6Very low175 Ų175134.5 Ų134.582%0.81875%0.753SS**  81.613653.2-76-154.6122.200113.8
483A34.1Very low35.5Very low88 Ų88134.3 Ų134.373%0.72776%0.757SS**  cis-162.4-165.2-300000111.4
484A38.8Very low35.6Very low90 Ų90137.2 Ų137.274%0.74477%0.765SS**  trans77127.1-175.800000115
485D32.3Very low35.5Very low159 Ų159140.1 Ų140.185%0.8577%0.77SS**  69.3134.256.1-73.5-18.3000113.1
486D30.2Very low35Very low129 Ų129141 Ų14169%0.6976%0.762SS**  cis-147.1164.77.5-162.5-16.9000110.2
487S34.9Very low35.4Very low122 Ų122142.3 Ų142.385%0.85377%0.769SS**  trans-158.564.9172.9-77.60000113.3
488Q33.1Very low35.4Very low164 Ų164142.1 Ų142.177%0.76677%0.768SS**  trans-94.3103.4179-167.6178.5-83.700114.6
489L37Very low36Very low144 Ų144146 Ų14675%0.75478%0.782SS**  trans46.9159.4133.6-51.3174.6000123.2
490E32.9Very low36Very low155 Ų155147 Ų14772%0.72478%0.782SS**  trans72152.9156.4-67.4-140.5133.600118.5
491K37.8Very low36Very low174 Ų174141.8 Ų141.876%0.75777%0.772SS**  cis-167.9170.8-29.7-160.6149169177.90109.1
492A38.5Very low36.3Very low87 Ų87145 Ų14572%0.71978%0.783SS**  trans-74.6133.4178.600000114
493N33.3Very low35.9Very low152 Ų152143 Ų14381%0.81379%0.788SS**  trans-161.7120.3149.8-79.7-50.8000103.9
494L36.7Very low35.9Very low158 Ų158142.3 Ų142.383%0.82779%0.79SS**  54.797.950.6-163.473.5000112.7
495I42.6Very low35.9Very low169 Ų169147.4 Ų147.487%0.86780%0.795SS**  trans-143.2147.8148.4-100.2156.9000107.3
496E32.2Very low36.2Very low150 Ų150151 Ų15170%0.70180%0.796SS**  trans-118.6137.4-165.8170.7177.8-111.300108.4E498E496-E498 HydrophobicContact CG-CG 4.31Å
497L42.7Very low36.2Very low174 Ų174148.2 Ų148.291%0.91180%0.799SS**  trans-141.699.8167.9-77.8-179000108.8
498E32.4Very low36.6Very low176 Ų176150.9 Ų150.982%0.82280%0.8SS**  trans-82.5149.7169.8-56.6-176.9118.400110.7E496E496-E498 HydrophobicContact CG-CG 4.31Å
499D45Very low37.4Very low170 Ų170149.2 Ų149.291%0.90980%0.803SS**  trans-140.7144149.5-170.121.6000108
500E34Very low37.1Very low179 Ų179150.7 Ų150.784%0.83681%0.806SS**  trans-118147.1-154.6-150.7-140.7111.100115
501G31.1Very low37.2Very low50 Ų50148.4 Ų148.452%0.51581%0.807SS.*  trans95.1136.6164.500000114.7
502H39.8Very low37Very low181 Ų181147.6 Ų147.684%0.83881%0.81SS**  cis-149.4129.642.7-80.662.7000114.9
503S35.1Very low36.7Very low132 Ų132149.4 Ų149.492%0.92382%0.818SS**  trans69.2163150.5800000120.2
504G34.5Very low36.6Very low74 Ų74145.6 Ų145.676%0.76381%0.814SS**  trans120.342.4160.600000119.6R506G504-R506 PolarHBondContact O-N 2.7Å
505K37.9Very low36.4Very low196 Ų196145.3 Ų145.385%0.85281%0.813SS**  trans-65.6118.6-178-70.3174.8-179.2169.90114.9
506R38.9Very low35.9Very low234 Ų234146.1 Ų146.188%0.88381%0.813SS**  60.8119.1124.6-166.6-163.2-56.7-174.70.4120G504G504-R506 PolarHBondContact O-N 2.7Å
507G29.9Very low35.9Very low72 Ų72146 Ų14674%0.74282%0.817SS**  trans150.2124.2148.700000117.7
508M42.4Very low36.6Very low178 Ų178142.2 Ų142.288%0.87780%0.803SS**  trans-85.9159.2157.6-64.3-92.587.300109.5
509P50.9Low36.6Very low129 Ų129140 Ų14084%0.83880%0.801SS**  -147.4-178.510438.7-22.2000115.9
510H30.9Very low36.2Very low174 Ų174137.9 Ų137.981%0.80679%0.788SS**  trans-90.3160.9-166.1-68-95.7000117.4
511S33.8Very low36.3Very low107 Ų107134 Ų13475%0.74879%0.787SS**  trans73.7163145.2-62.40000118.7
512L34.7Very low36.7Very low158 Ų158141.9 Ų141.983%0.82780%0.801SS**  cis-139.517014.7-89.2177.1000113.5
513S31Very low36.3Very low125 Ų125141.6 Ų141.687%0.87480%0.802SS**  trans96.1131.6166.4-40.40000115.5
514G32.4Very low36.3Very low72 Ų72140.9 Ų140.974%0.74280%0.797SS**  cis154.3154.5-300000109.9
515L32.3Very low36.6Very low151 Ų151144.4 Ų144.479%0.79180%0.797SS**  cis-164.3138.5-1.6-136.8170.7000109.2
516Q31.8Very low36.4Very low187 Ų187140.5 Ų140.587%0.87479%0.793SS**  trans70.1170.4165.9-83.8156.43.500120.1
517D32.7Very low36.6Very low148 Ų148134.5 Ų134.579%0.79179%0.787SS**  trans-147.4-168-149-159.929.1000108.1
518P57.3Low36.9Very low93 Ų93139.1 Ų139.160%0.60479%0.789SS**  -115.5-164.5-5622.8-1000113.1
519V32.8Very low36.7Very low129 Ų129135.7 Ų135.778%0.78277%0.774SS**  trans82153.4153.9-146.50000120.2
520I36.1Very low36.2Very low126 Ų126138.2 Ų138.265%0.64677%0.772SS**  trans90101.5162.8-48.6-177.3000118
521A37.1Very low36.7Very low98 Ų98139.2 Ų139.281%0.8177%0.774SS**  trans-57.7149.4173.100000115.8
522R39.3Very low36.9Very low216 Ų216138.6 Ų138.682%0.81577%0.77SS**  trans-148.6144.7172.1-56-178-166.6-100.1-14.7110.3
523M30Very low37.4Very low174 Ų174136.4 Ų136.486%0.85777%0.765SS**  trans-87.5150.8179-39.589.972.500112.9
524S36.3Very low37.7Very low117 Ų117135.5 Ų135.582%0.81876%0.759SS**  trans171.6132.9147.6-73.80000106.8
525I39.8Very low37.9Very low148 Ų148140.5 Ų140.576%0.75976%0.763SS**  cis73.7105.225.3-54.9-176.4000114.4
526C34.5Very low37.9Very low115 Ų115138.6 Ų138.678%0.77776%0.761SS**  trans63.3157.8163.8-62.90000117.8
527S42.5Very low37.8Very low107 Ų107134.7 Ų134.775%0.74875%0.754SS**  cis-171.4150.7-26.6-90.20000107.6
528E37.5Very low37.9Very low169 Ų169135 Ų13579%0.7976%0.755SS**  trans-141.2113.7162.6-173.679.345.300109.4
529D38.3Very low36.8Very low106 Ų106137.9 Ų137.957%0.56776%0.764SS**  trans-78145.1170.8156.158.5000110.2K531D529-K531 PolarHBondContact OD1-N 3.07Å
530K39.3Very low36.7Very low183 Ų183136 Ų13680%0.79676%0.762SS**  trans-148.797.2132.4-61.8-157.9-172.8-141.90112.1
531K41Very low36.5Very low195 Ų195135.9 Ų135.985%0.84877%0.772SS**  159.6120.8101.2-165.4164.9-174.7177.40112.7D529D529-K531 PolarHBondContact OD1-N 3.07Å
532S37.8Very low36.2Very low94 Ų94136.5 Ų136.566%0.65777%0.771SS**  trans-78.7-173.8-176.9-22.90000113.6
533P46.6Very low36.8Very low111 Ų111131.1 Ų131.172%0.72176%0.763SS**  cis-140.8-172.63.141.7-22.4000117.1
534S36.7Very low36.9Very low106 Ų106131.2 Ų131.274%0.74176%0.762SS**  trans77.9133.6147.7-69.80000119
535E37.1Very low37.1Very low178 Ų178134 Ų13483%0.83276%0.762SS**  cis-146.2170.3-2.2-56.3-164.991.100113.1
536C31.4Very low36.6Very low110 Ų110132.2 Ų132.274%0.74376%0.763SS**  trans6279.8150.6-70.30000122.6
537S30.5Very low36.6Very low106 Ų106138.7 Ų138.774%0.74177%0.771SS**  42.8116.8107.8-600000123.3
538L35.1Very low36.3Very low154 Ų154139 Ų13981%0.80677%0.77SS**  92.6128.9121.3-68.7174.8000123.5
539I33.1Very low35.9Very low154 Ų154135.8 Ų135.879%0.7977%0.767SS**  trans76.6124.3146.565.2162.6000124.4
540A31.2Very low35.4Very low89 Ų89137.3 Ų137.374%0.73678%0.784SS**  trans90.9134.2136.200000121.7
541S31.7Very low35.1Very low123 Ų123137 Ų13786%0.8679%0.786SS**  trans78.7118.8153.8-55.40000120.8
542S30.8Very low34.7Very low112 Ų112137.1 Ų137.178%0.78379%0.786SS**  trans-67174.3148.2-45.60000111
543P51.3Low34.6Very low102 Ų102136.9 Ų136.966%0.66279%0.789SS**  cis-134.2-178.74.142-24.2000116.2
544E33.3Very low34Very low177 Ų177140.7 Ų140.783%0.82779%0.791SS**  trans58.6123.7147-74.2163.7137.100123.6
545E40.3Very low33.8Very low174 Ų174142.7 Ų142.781%0.81379%0.793SS**  trans23.2114.2135.5-168.1173.3176.100121.5
546S29.6Very low34Very low111 Ų111141.9 Ų141.978%0.77679%0.794SS**  177.3152.9122.5-84.70000114.1
547W33.3Very low34.1Very low252 Ų252144.9 Ų144.996%0.95580%0.802SS**  trans-84.1149.7169.2-74.784.8000112.3S549W547-S549 PolarHBondContact O-N 2.72Å
548P37.3Very low34.3Very low112 Ų112150.5 Ų150.573%0.72781%0.807SS**  trans-77.1111.6-174.629.1-35.1000114.7
549S28.3Very low34.3Very low103 Ų103148.6 Ų148.672%0.7280%0.802SS**  trans21.7135.9138.770.50000121.1W547W547-S549 PolarHBondContact O-N 2.72Å
550C28Very low34.8Very low137 Ų137147 Ų14793%0.92680%0.802SS**  trans-126.3156.1140.4-155.10000110.7
551Q32.4Very low34.9Very low178 Ų178148.3 Ų148.383%0.83281%0.805SS**  trans-110134.9-155.8-60.5168.9-28.700114
552K32.9Very low35Very low197 Ų197148 Ų14886%0.85780%0.799SS**  trans-162137.5134.2-132167.7-175.31710111.9
553A35Very low35.6Very low88 Ų88148.8 Ų148.873%0.72780%0.799SS**  trans-141.6142.6179.800000111.3
554Y34.3Very low35.1Very low192 Ų192150.3 Ų150.375%0.75381%0.806SS**  trans-167.1155.5139.630.4-122.8000113.4
555N32.1Very low35.7Very low147 Ų147149.9 Ų149.979%0.78681%0.808SS**  trans79.694.3167.2-53.5-44.7000118.3
556L41.3Very low35.2Very low162 Ų162149.7 Ų149.785%0.84881%0.813SS**  trans-78.5150.5154.7-69.974.3000109.8
557N34.5Very low35.3Very low172 Ų172150.4 Ų150.492%0.9281%0.808SS**  trans-151146.6141.2-101-50.2000112.1
558R34.8Very low35.3Very low224 Ų224144.9 Ų144.985%0.84580%0.798SS**  trans-81.8170-177.3-77.3-177.5167.9-129.91.5111.5
559T34.8Very low35Very low115 Ų115146.2 Ų146.271%0.70680%0.804SS**  cis-162.1173.8-2.513.10000109.1
560P44.5Very low35.1Very low121 Ų121145.3 Ų145.379%0.78680%0.803SS**  trans-101.3-163.1-166.842.2-38.9000116
561S33.3Very low35.7Very low115 Ų115144.2 Ų144.280%0.80479%0.794SS**  trans88.4148.6-180-135.80000114.3
562T32Very low35.7Very low118 Ų118141.5 Ų141.572%0.72479%0.789SS**  cis-133.9163.716.350.40000114
563V45.1Very low35.6Very low128 Ų128139.9 Ų139.978%0.77679%0.79SS**  trans-85.2140.1165.8173.60000111.1
564T40.1Very low35.4Very low134 Ų134146.9 Ų146.982%0.82280%0.798SS**  trans-136141.9157.6470000111
565L44.8Very low35.3Very low167 Ų167141.4 Ų141.487%0.87479%0.792SS**  trans-91144.9-178.4-61.8162.7000110.9
566N31.3Very low35.1Very low170 Ų170141.8 Ų141.891%0.90979%0.794SS**  trans-154167140.5-151.5-0.4000111.9
567N32.1Very low34.8Very low127 Ų127142.5 Ų142.568%0.67979%0.793SS**  trans-123152.2-160-161.2-5.4000112.8
568N33.4Very low34.5Very low136 Ų136140.9 Ų140.973%0.72778%0.784SS**  trans13.7130.9166-71.9-26.5000120.7
569T29.9Very low34.1Very low140 Ų140138.3 Ų138.386%0.85978%0.78SS**  -179.9147.1102.8-69.50000110.6
570A30.9Very low34Very low84 Ų84139 Ų13969%0.69478%0.779SS**  trans-83.1172.5177.500000111.6
571P40.3Very low33.3Very low114 Ų114141.1 Ų141.174%0.7478%0.778SS**  -157.4-179.569.544.7-24.1000117.6
572T31.6Very low33.5Very low120 Ų120142.5 Ų142.574%0.73678%0.775SS**  trans56.9110.5149.5-51.50000120.5R574T572-R574 HydrophobicContact CG2-CB 4.41Å
573N31.3Very low33.4Very low164 Ų164145.1 Ų145.188%0.87778%0.779SS**  trans-78.6124.5156.5-136.7-49.8000110.1
574R31.3Very low32.6Very low235 Ų235142.4 Ų142.489%0.88778%0.777SS**  trans-155.7111.6160.3-128.6178.2-171-175.22.7116T572T572-R574 HydrophobicContact CG2-CB 4.41Å
575A31.6Very low32.2Very low77 Ų77141.3 Ų141.364%0.63677%0.77SS**  trans0140.9157.500000122.6
576N28.7Very low31.6Very low154 Ų154143.3 Ų143.382%0.82477%0.766SS**  trans52.4113.6141.5-62.7-19.5000119.8
577Q34Very low31.5Very low178 Ų178143.2 Ų143.283%0.83276%0.76SS**  -170.5127.697.2-68.9-132.139.300106.6
578N28.1Very low31.4Very low137 Ų137142.7 Ų142.773%0.73376%0.762SS**  85139.668.4-158.611.6000113.7
579F27.8Very low31.4Very low170 Ų170142 Ų14275%0.74677%0.767SS**  trans80.798.5170.8-126.5-108.8000121.3
580D31.8Very low31.4Very low131 Ų131144 Ų14470%0.70177%0.767SS**  58.4158.9126.2-82.2-72000127.5
581E30.4Very low31.4Very low164 Ų164146.4 Ų146.477%0.76677%0.773SS**  trans101.4106.6147.1-152.9144.9125.300122.1
582I36.9Very low31.1Very low144 Ų144148.1 Ų148.174%0.73877%0.774SS**  trans95.1154140.5-126100.3000123.7
583E30.3Very low31Very low174 Ų174150.1 Ų150.181%0.81378%0.779SS**  trans-67.9168.1-160.7-61.4162111.200119.5
584G28.6Very low31.1Very low71 Ų71153.1 Ų153.173%0.73278%0.779SS**  trans154.862.1161.500000116.9
585V31.5Very low31.6Very low111 Ų111147.7 Ų147.767%0.67377%0.773SS**  76.8123.589.8172.50000116.4
586R32.8Very low31.3Very low208 Ų208147.6 Ų147.679%0.78578%0.78SS**  trans92.7127.2-178.2-68.1162.7-68.6-161.4-0.5115
587E28.1Very low32.1Very low168 Ų168146.8 Ų146.879%0.78578%0.783SS**  74.613551.4-66.6-177.2117.400113
588T29.3Very low31.8Very low117 Ų117143 Ų14372%0.71878%0.776SS**  cis-157.2151.8-1.822.80000109.6
589S34.6Very low32.7Very low120 Ų120142.5 Ų142.584%0.83978%0.781SS**  trans-93.8137.2166.3-590000111.5
590Q29.6Very low32.8Very low184 Ų184141.3 Ų141.386%0.8678%0.782SS**  trans-159.7139.7165.2-127.4168.182.700113.2
591V31.1Very low33.2Very low133 Ų133140.2 Ų140.281%0.80678%0.782SS**  trans-146.7162173-169.80000107.7
592I34.4Very low33.1Very low150 Ų150139 Ų13977%0.76979%0.786SS**  trans94.1125.6165.8-50.2174.7000117.4
593L29Very low32.6Very low162 Ų162137.1 Ų137.185%0.84879%0.792SS**  trans-135.9144.9150.2-75.6178.5000104.2
594R32.7Very low32.6Very low228 Ų228135.3 Ų135.386%0.8679%0.793SS**  cis-155.2-172.233.1-118.2179.5-179.5152.80.4109.9
595P41.7Very low32.8Very low120 Ų120139.9 Ų139.978%0.77980%0.795SS**  trans-136.1160.8-135.541.7-22.2000120.1
596G26.8Very low32.8Very low75 Ų75140.8 Ų140.877%0.77380%0.796SS**  trans76169.8143.700000119.4
597P44.3Very low32.7Very low138 Ų138139.7 Ų139.790%0.89680%0.8SS**  cis-115.2-171.92.941-29000114.8
598S29Very low32.8Very low97 Ų97137.6 Ų137.668%0.67879%0.794SS**  trans-110.8179.7-172.363.20000114.4
599P46.2Very low33.2Very low127 Ų127138.9 Ų138.983%0.82580%0.796SS**  -137.7174.484.129-8.6000117
600N29.1Very low33.1Very low146 Ų146142.9 Ų142.978%0.78180%0.798SS**  trans-84.4177.7-172.5-76.4-14.1000113.4
601P40.4Very low33Very low108 Ų108138.5 Ų138.570%0.70179%0.788SS**  cis-142.7160.418.443.4-24.2000120.7
602T28.2Very low32.9Very low139 Ų139140.4 Ų140.485%0.85379%0.79SS**  trans48.3115.4148.952.10000121.2
603A27.1Very low32.6Very low104 Ų104136.4 Ų136.486%0.8678%0.779SS**  trans-133150.4149.400000111.2
604V30.2Very low32.7Very low136 Ų136137.5 Ų137.582%0.82478%0.78SS**  trans-60.9142.6-175.6-179.10000113.3
605Q31.8Very low33.1Very low166 Ų166136.4 Ų136.478%0.77678%0.781SS**  175.1131.9121.2-96.3179.918.800114.4
606N31.8Very low32.6Very low130 Ų130142 Ų14270%0.69579%0.786SS**  147.9129.6125.2-82.8-68.9000111.4
607E31.6Very low32.5Very low186 Ų186143 Ų14387%0.86978%0.782SS**  trans-147.3152147.1-97.3-52.315800108.2
608N30.2Very low31.9Very low124 Ų124144 Ų14466%0.66377%0.774SS**  trans-137.7161.2-160.3-144.5-36.7000114
609L36.9Very low32.1Very low144 Ų144150.2 Ų150.275%0.75478%0.783SS**  trans60.4117.8166-59.6169.3000119.1
610K33.2Very low31.3Very low203 Ų203149.3 Ų149.388%0.88378%0.779SS**  trans160.4154.7131.2-86.7149.1-166.8162.60110.7
611S26.9Very low31.3Very low93 Ų93147.5 Ų147.565%0.6578%0.779SS**  cis-176.4158.2-30.154.60000108.1
612M29.2Very low30.9Very low173 Ų173153.1 Ų153.185%0.85279%0.787SS**  trans67.7158.5161.5-60.9-88.1-85.500116.5
613A29.1Very low31.1Very low65 Ų65153.1 Ų153.154%0.53779%0.788SS.*  cis-165.6166.3-21.500000113.3
614H31.1Very low32.2Very low186 Ų186159.6 Ų159.686%0.86179%0.79SS**  trans70.3167.9148.9-67.5-32.7000122.7
615K40.2Very low32.6Very low204 Ų204161.5 Ų161.589%0.88779%0.794SS**  trans-99.8161.9-173-62.9179174.4178.80112.4
616R30.8Very low32.4Very low238 Ų238158.5 Ų158.590%0.89879%0.792SS**  trans96.3129.1136.7-154.1-173.9-158.2164.95.5118.8
617S26.1Very low32.4Very low96 Ų96160.1 Ų160.167%0.67179%0.792SS**  trans119.3160.2133.4-144.40000119.2
618Q31.3Very low32.3Very low158 Ų158157.7 Ų157.774%0.73879%0.785SS**  trans66.891.2166-56-60.52.600122.4
619R32.8Very low32.5Very low228 Ų228155.5 Ų155.586%0.8679%0.785SS**  27.4147.6106.8-158.2179-167.4-179.64.7120.9
620S28.6Very low32.5Very low108 Ų108153.3 Ų153.376%0.75578%0.781SS**  trans89.6146.4164-140.60000114.7
621S30.3Very low32.6Very low109 Ų109151.3 Ų151.376%0.76278%0.775SS**  cis-141.5167.915.1-63.40000114.1
622Y31.6Very low33.1Very low225 Ų225152.6 Ų152.688%0.88277%0.774SS**  trans-68.5147.3163.9-108.8-116.8000112.1
623T31.7Very low33.3Very low140 Ų140153.6 Ų153.686%0.85978%0.776SS**  -176.2159.5113.929.40000112.6
624R50.3Low33.4Very low239 Ų239154.7 Ų154.790%0.90279%0.786SS**  trans-111.5-171.5172.3-80.5-168.1177.8-145.84.9110.7
625L38.3Very low33.4Very low177 Ų177150.7 Ų150.793%0.92779%0.785SS**  trans89.9149.1175.9-50.4171.1000112.8
626S28.3Very low32.9Very low103 Ų103147 Ų14772%0.7278%0.784SS**  cis-139.9138.13.6-1730000107.5
627K32.6Very low33.3Very low163 Ų163140.1 Ų140.171%0.70977%0.773SS**  61122.570.1-177.3170.7178.1170.40115.6
628D27.8Very low33.8Very low135 Ų135142.3 Ų142.372%0.72278%0.777SS**  trans62.4159.6164.5-683.7000119.1
629A34.5Very low34.2Very low78 Ų78139.5 Ų139.565%0.64578%0.775SS**  cis-173.8173.6-29.200000109.2
630S37.5Very low34.4Very low98 Ų98135 Ų13569%0.68577%0.773SS**  trans67.2154.6166.5-67.20000117.1
631E35.1Very low34.5Very low162 Ų162133.2 Ų133.276%0.75777%0.772SS**  cis-164.9177.4-12.1-110.2165.871.200106.9
632L38.4Very low35Very low120 Ų120138.4 Ų138.463%0.62878%0.781SS**  cis-156.6157.14.6-138.6176.2000107.9
633H32.3Very low35.1Very low193 Ų193131.4 Ų131.489%0.89478%0.778SS**  trans-176.7167134.9-94-55.3000110.5
634A31.4Very low35.6Very low89 Ų89133 Ų13374%0.73678%0.775SS**  trans-138.4168-144.700000117.7
635A31.8Very low35.4Very low102 Ų102130.1 Ų130.184%0.84377%0.772SS**  trans77.2103.5156.300000120.4
636S29.3Very low35.9Very low125 Ų125132.9 Ų132.987%0.87477%0.77SS**  -158.7128.7106.9-166.90000112.3
637S40.1Very low36.9Very low95 Ų95136.6 Ų136.666%0.66478%0.776SS**  trans-76.6178.5164.1-78.60000111.6
638D36.8Very low37.7Very low142 Ų142134 Ų13476%0.75978%0.779SS**  cis178.8159.5-33.5-90.9-55.7000105.6
639S39.4Very low38.9Very low98 Ų98135.1 Ų135.169%0.68578%0.783SS**  cis-149.2-155.6-16.840.40000105.4
640T36.8Very low39.3Very low133 Ų133142.8 Ų142.882%0.81681%0.812SS**  cis-156.8162.41948.20000107.8
641G31.1Very low39.3Very low72 Ų72145.1 Ų145.174%0.74282%0.818SS**  cis171.2156-1.400000110.9
642F39.5Very low39.6Very low217 Ų217144.2 Ų144.295%0.95282%0.822SS**  trans-82163.4166.9-97.6-108.8000110.6
643G35Very low39.6Very low79 Ų79145.5 Ų145.581%0.81483%0.832SS**  trans-164.964.6-17800000113.3
644E41.7Very low40.1Very low173 Ų173142.7 Ų142.781%0.80883%0.829SS**  trans-80.9-178.6168.7-157.9167.3167.800110.7
645E46.1Very low40.6Very low179 Ų179146.1 Ų146.184%0.83684%0.835SS**  trans52.492.2167.564.6179.9172.300119.6
646R48.2Very low41.2Very low235 Ų235149 Ų14989%0.88783%0.834SS**  trans-133.4159.2131.4-49.9-176.7-177.6-83.5-7.6106.6
647E50.4Low42Very low180 Ų180150.7 Ų150.784%0.84183%0.831SS**  cis-138.8168.618-69.8175.6143.900111.7
648S49.3Very low42.2Very low110 Ų110155 Ų15577%0.76984%0.844SS**  trans-151.9128.3161.6-85.20000111.8
649I51.4Low42.6Very low158 Ų158156.1 Ų156.181%0.8185%0.851SS**  trans68.899.8160.1-51.6161.2000115.7
650L43Very low42.9Very low239 Ų239161.4 Ų161.4100%1.25187%0.866SS**  -137.40104.9-105.9169.1000110.3

Retrieved 650 of 650 residues in 276.2 ms (Link to these results)