A0A077ZFT7_TRITR Loading...

Calponin family protein

AlphaFold DB , UniProt , Accession A0A077ZFT7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 428 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.9Very low36.9Very low236 Ų236181.7 Ų181.7100%1.16389%0.892SS**  0108.50-75.1173.3-178.800108.4
2R38.4Very low36.6Very low255 Ų255182.4 Ų182.496%0.96289%0.891SS**  trans-96.1113.9174.8-74.6-175.5-179.7-133.81.2107.8
3L37.9Very low36.1Very low157 Ų157182.4 Ų182.482%0.82289%0.888SS**PPolyproline II helixtrans-78.5127.9176.1-79.5128.9000109.9
4P39.8Very low35.7Very low121 Ų121183.3 Ų183.379%0.78689%0.89SS**PPolyproline II helixtrans-81.4130.9177.631.8-32.6000111
5W33.7Very low35.6Very low258 Ų258183.8 Ų183.898%0.97789%0.89SS**PPolyproline II helixtrans-71.3126.3172.3-89.348.2000110.4
6S37.9Very low35.9Very low105 Ų105179.1 Ų179.173%0.73488%0.879SS**PPolyproline II helixtrans-76.9140.4-173.757.20000113.5A8S6-A8 PolarHBondContact O-N 3.01Å
7Q37.4Very low35.4Very low205 Ų205180.2 Ų180.296%0.95888%0.881SS**  trans-68.874.7177.2-64.4175.7-1700113.4
8A36.3Very low35.2Very low87 Ų87179.7 Ų179.772%0.71988%0.877SS**  trans-113.310.6-18000000115.5S6S6-A8 PolarHBondContact O-N 3.01Å
9Q37Very low35.1Very low189 Ų189180.3 Ų180.388%0.88388%0.877SS**  trans-137.670.2179.5-72.7-176-9.300111.8
10Q35.2Very low34.8Very low195 Ų195183.5 Ų183.591%0.91188%0.88SS**  trans-139.110.3170.5-102.5-176.220.700115.3
11Q32.8Very low34.6Very low191 Ų191181.3 Ų181.389%0.89388%0.878SS**  trans-12773.5179.7-68.8-177.32500111.5
12Q32.8Very low34.1Very low190 Ų190179.4 Ų179.489%0.88887%0.866SS**  trans-158.745.1163.7-123.8177.977.300112.2
13Q29.9Very low33.7Very low182 Ų182171.8 Ų171.885%0.8586%0.858SS**  trans-147.3100.3166.5-70.5-171.151.900108.3
14Q30.2Very low33.3Very low195 Ų195172.3 Ų172.391%0.91186%0.86SS**  trans174.3117153.6-98.2163.492.900109.4
15Q34.4Very low32.9Very low191 Ų191175.1 Ų175.189%0.89386%0.863SS**  trans141.4147.6152.8-79.2-16436.800113.5
16P40Very low32.7Very low109 Ų109172.2 Ų172.271%0.70886%0.86SS**  -126.8156.3-87.1221.3000114.3Q18P16-Q18 PolarHBondContact O-N 2.64Å; P16-Q18 VanDerWaalsContact O-N 3.16Å
17Q28.4Very low32.4Very low198 Ų198176.5 Ų176.593%0.92587%0.868SS**  trans-74.789.2172.7-65.6172-0.200111.1
18Q32.2Very low32Very low170 Ų170172.4 Ų172.479%0.79486%0.86SS**  trans-149.480.7164.2-70.8-170.112.100109.6P16P16-Q18 PolarHBondContact O-N 2.64Å; P16-Q18 VanDerWaalsContact O-N 3.16Å
19Q33.2Very low31.6Very low191 Ų191177.9 Ų177.989%0.89387%0.87SS**  trans176.575.9163.8-101.3161.965.700109.5
20R29.2Very low31.3Very low244 Ų244175 Ų17592%0.92187%0.865SS**  trans-17255.1161.4-109.9170.4-165.7-150.35.1112
21T29.7Very low30.9Very low139 Ų139174.7 Ų174.785%0.85386%0.864SS**  trans-140.546.4173.529.10000110.8
22Q30.5Very low30.7Very low195 Ų195174.3 Ų174.391%0.91186%0.862SS**  trans-15065.6170-65.1-168.76.500110.5
23A30.2Very low30.5Very low96 Ų96173.1 Ų173.179%0.79386%0.856SS**  trans-157.942.8172.700000112.5
24I28.5Very low30.4Very low168 Ų168172 Ų17286%0.86286%0.856SS**  trans-143.580.4171.6-50.7176000108.5
25Q31.4Very low30.3Very low180 Ų180173.3 Ų173.384%0.84185%0.853SS**  trans-171105.3160-109.5165.629.200107.3
26Q30.1Very low30Very low197 Ų197173.8 Ų173.892%0.92185%0.852SS**  trans155.197.2152.3-85.2165.190.500109.6
27Q30Very low29.6Very low194 Ų194173.9 Ų173.991%0.90785%0.852SS**  trans-138.3141151.6-77.2-167.40.500109.8
28P30.5Very low29.5Very low120 Ų120169.7 Ų169.778%0.77985%0.845SS**  trans-95.5147.1-162.80.422000113.8
29Q27.1Very low29.4Very low202 Ų202170.4 Ų170.494%0.94485%0.846SS**  trans-66.4128.1171.4-83.1174-41.900111.7
30V30.4Very low29.2Very low127 Ų127167.3 Ų167.377%0.7784%0.843SS**  trans-111.6117.5170.6-179.10000108.9
31Q27.7Very low29.2Very low190 Ų190162.7 Ų162.789%0.88884%0.841SS**  trans-73.8124173.4-82.6168.2-14.600110.4
32Q28.5Very low29.1Very low183 Ų183160.6 Ų160.686%0.85584%0.838SS**  trans-106.3122.8169.2-82.2176.67.200109.6
33Q29.1Very low29.2Very low164 Ų164155.8 Ų155.877%0.76683%0.832SS**  trans-88.1124.4179.6-75.3175.5-16.600110.6R35Q33-R35 PolarHBondContact O-N 3.19Å
34D27.9Very low29.2Very low159 Ų159157.3 Ų157.385%0.8583%0.834SS**  trans-72.4111.3175.9-68.7-50.7000111.8
35R28.4Very low29.3Very low223 Ų223153 Ų15384%0.84283%0.831SS**  trans-110.7108.2167-68.2-170.8-179.3-148.51.3109.7Q33Q33-R35 PolarHBondContact O-N 3.19Å
36K26.5Very low29.2Very low201 Ų201151.5 Ų151.587%0.87483%0.834SS**PPolyproline II helixtrans-84.3126.9173.1-70.1178.4177.9175.10110.5
37P31.7Very low29.2Very low110 Ų110150.9 Ų150.971%0.71483%0.831SS**PPolyproline II helixtrans-93.7130.1165.9134000111.3F39P37-F39 HydrophobicContact CB-CE2 4.2Å
38S26.2Very low29.2Very low111 Ų111147.7 Ų147.778%0.77683%0.827SS**PPolyproline II helixtrans-89.7135.417245.70000110.8
39F30.5Very low29Very low185 Ų185151.3 Ų151.381%0.81183%0.831SS**  trans-138.7137.1165.2-73.4-75.7000110.7P37P37-F39 HydrophobicContact CB-CE2 4.2Å
40P29.6Very low29.2Very low126 Ų126147.9 Ų147.982%0.81883%0.826SS**PPolyproline II helixtrans-83.1150.3-17131.8-34.2000114.3
41V27.8Very low29.2Very low146 Ų146151 Ų15189%0.88583%0.832SS**PPolyproline II helixtrans-87.2130.2-177.3174.90000110.2
42A29.6Very low29.1Very low95 Ų95151 Ų15179%0.78583%0.832SS**PPolyproline II helixtrans-100.1136.2173.700000110.8
43A31.1Very low29.1Very low95 Ų95150.1 Ų150.179%0.78583%0.828SS**PPolyproline II helixtrans-80.1145.8-175.800000113
44P31.6Very low29.1Very low128 Ų128147.9 Ų147.983%0.83183%0.828SS**PPolyproline II helixtrans-81.2130.9-179.530.3-30.9000112.3
45G30.2Very low29.1Very low78 Ų78151.1 Ų151.180%0.80483%0.829SS**PPolyproline II helixtrans-82.3138.917900000113.6
46T29Very low29.1Very low147 Ų147145.1 Ų145.190%0.90283%0.827SS**PPolyproline II helixtrans-79.4130.2179.2-24.40000110.8
47Q29.8Very low29.1Very low184 Ų184145.9 Ų145.986%0.8683%0.826SS**  trans-115.3146.6167.4-72.6-158.6-11.400111.8
48P30.1Very low29Very low127 Ų127147.9 Ų147.983%0.82583%0.831SS**PPolyproline II helixtrans-94.5152.7-167.625.9-12.1000114.7
49K26.5Very low29.2Very low197 Ų197151.9 Ų151.986%0.85783%0.834SS**PPolyproline II helixtrans-72.6146.7-176.9-70.7-177.7173.4-1750113.8
50P31.7Very low29.2Very low129 Ų129152.2 Ų152.284%0.83884%0.838SS**PPolyproline II helixtrans-80.6148.3174.5-7.625.8000113.6
51Q29.4Very low29.1Very low192 Ų192155.2 Ų155.290%0.89784%0.841SS**PPolyproline II helixtrans-87138.2-177.3-69.6167.6-30.700112.6
52E26.2Very low29.1Very low191 Ų191154.8 Ų154.889%0.89384%0.839SS**PPolyproline II helixtrans-87.8138.6177.5-66.5173.3163.200111.5
53Q28.6Very low29Very low164 Ų164158.9 Ų158.977%0.76684%0.841SS**  trans-119.3127.3177.4-77.5-87.21.300109.7
54P28.7Very low28.9Very low118 Ų118159.6 Ų159.677%0.76684%0.838SS**PPolyproline II helixtrans-91.7144.7-176.733.9-31.6000113.2
55Y28.4Very low28.8Very low227 Ų227158 Ų15889%0.8984%0.836SS**PPolyproline II helixtrans-93.6138.9-176.6-24-79.5000111.6
56A28.8Very low28.8Very low96 Ų96162.4 Ų162.479%0.79384%0.84SS**PPolyproline II helixtrans-90.1147.8-179.200000112.7
57Y26.4Very low28.6Very low218 Ų218165 Ų16586%0.85584%0.842SS**  trans-112.7114.6-174-139.5-87.4000109.3
58D29.4Very low28.8Very low152 Ų152160.5 Ų160.581%0.81383%0.83SS**PPolyproline II helixtrans-91.2127179.1-71.3-35.5000111.3
59K29.3Very low28.7Very low195 Ų195163 Ų16385%0.84883%0.831SS**PPolyproline II helixtrans-98.2117.6176.9-65.2177.9179.6179.60108.4
60Q30.2Very low28.8Very low192 Ų192159 Ų15990%0.89782%0.823SS**PPolyproline II helixtrans-100.4141.6172.8-78.1-178.4-24.500111.4
61E29.1Very low28.5Very low188 Ų188160.8 Ų160.888%0.87982%0.82SS**PPolyproline II helixtrans-84.9151.6-158.3-61.8170.7152.200113.3
62V26.2Very low28.8Very low137 Ų137159.7 Ų159.783%0.8382%0.82SS**PPolyproline II helixtrans-93.3122.6-177.2175.60000109.2
63H27.9Very low28.8Very low182 Ų182158.9 Ų158.984%0.84382%0.817SS**PPolyproline II helixtrans-92.9124.2167.9-92.9-84.1000110.7
64P29.8Very low29Very low110 Ų110159.9 Ų159.971%0.71482%0.821SS**PPolyproline II helixtrans-100.1169.2170.937.3-30.5000112
65A28.5Very low29Very low94 Ų94162.1 Ų162.178%0.77783%0.827SS**  trans97103.9168.100000116.4
66L30.8Very low29.4Very low170 Ų170158 Ų15889%0.8982%0.82SS**  trans-159.5107.8130.2-103.7157.5000108
67Q25.5Very low29.4Very low202 Ų202162.9 Ų162.994%0.94483%0.827SS**  trans-119.299.5-178.2-163.1148.3-2.400105.4
68S33Very low29.8Very low89 Ų89157.8 Ų157.862%0.62282%0.82SS**  trans-126.5109.6175.455.30000107
69Q28.6Very low30.3Very low179 Ų179156.6 Ų156.684%0.83682%0.818SS**  71.294103.8-68.9-179-9.900111.4
70V27.4Very low30.6Very low114 Ų114155 Ų15569%0.69181%0.814SS**  86.1119.780170.80000110.3
71E26.7Very low31.1Very low166 Ų166151.6 Ų151.678%0.77681%0.806SS**  trans65.5107.1155.6-69.2158.5-162.900118.2
72D34.8Very low31.5Very low169 Ų169148.6 Ų148.690%0.90479%0.793SS**  -152.5120.9121-104.8-31.5000110.8
73Q27.6Very low32.1Very low175 Ų175147.2 Ų147.282%0.81879%0.787SS**  trans-74125.3172.2-61.4173.315.900108.1
74Q32.1Very low32.8Very low185 Ų185147.3 Ų147.386%0.86479%0.788SS**  trans-157.8105.6148.4-110.8159.343.200110.8N76Q74-N76 PolarHBondContact O-N 2.88Å
75N27.9Very low33.5Very low164 Ų164149.7 Ų149.788%0.87779%0.789SS**  trans-60.696.3169.2-63-38.1000109.3
76N36.7Very low34.3Very low141 Ų141150.6 Ų150.675%0.75479%0.788SS**  trans-136.2101.8155.6-105.3-22.5000103.8Q74 P78Q74-N76 PolarHBondContact O-N 2.88Å; N76-P78 WeakPolarHBondContact O-CD 3.28Å; N76-P78 VanDerWaalsContact O-CG 3.28Å; N76-P78 WeakPolarHBondContact O-CG 2.82Å; N76-P78 VanDerWaalsContact O-N 3.14Å
77E29.1Very low35.3Very low199 Ų199151 Ų15193%0.9379%0.785SS**  trans-63.6103.3173.6-65.4-172.9151.200108.6
78P35.1Very low36.5Very low111 Ų111152.1 Ų152.172%0.72178%0.781SS**  trans-93.8116.5169.86.619.3000104.5N76 Q80N76-P78 WeakPolarHBondContact O-CD 3.28Å; N76-P78 VanDerWaalsContact O-CG 3.28Å; N76-P78 WeakPolarHBondContact O-CG 2.82Å; N76-P78 VanDerWaalsContact O-N 3.14Å; P78-Q80 PolarHBondContact O-N 2.83Å
79V40Very low37.6Very low127 Ų127154 Ų15477%0.7778%0.779SS**  trans-10.3114.9161.81780000111.1V81V79-V81 PolarHBondContact O-N 2.67Å
80Q36.5Very low38.9Very low162 Ų162155.5 Ų155.576%0.75778%0.778SS**  trans-58.882.5175-69.6-178.510.900108.8P78 M82P78-Q80 PolarHBondContact O-N 2.83Å; Q80-M82 HydrophobicContact CB-CE 4.4Å; Q80-M82 PolarHBondContact O-N 2.72Å; Q80-M82 VanDerWaalsContact OE1-CE 3.31Å
81V39.5Very low40Very low119 Ų119158 Ų15872%0.72177%0.774SS**  trans-68.589155.6-178.60000102.3V79 P83V79-V81 PolarHBondContact O-N 2.67Å; V81-P83 WeakPolarHBondContact O-CD 3.45Å
82M37.3Very low41.5Very low125 Ų125154.4 Ų154.462%0.61676%0.764SS**  trans-37.9118.9165-76.1-77.8141.900105.5Q80 Q84Q80-M82 HydrophobicContact CB-CE 4.4Å; Q80-M82 PolarHBondContact O-N 2.72Å; Q80-M82 VanDerWaalsContact OE1-CE 3.31Å; M82-Q84 PolarHBondContact O-N 2.63Å
83P40.1Very low43.1Very low109 Ų109149.6 Ų149.671%0.70875%0.754SS**  trans-49.7115.3174-21.229.7000104.4V81 E85V81-P83 WeakPolarHBondContact O-CD 3.45Å; P83-E85 PolarHBondContact O-N 2.74Å
84Q42.2Very low45.4Very low183 Ų183151.3 Ų151.386%0.85575%0.753SS**  trans-60.492.6162.7-77.4-174.8-9.300102.6M82M82-Q84 PolarHBondContact O-N 2.63Å
85E43.3Very low47Very low160 Ų160149.7 Ų149.775%0.74874%0.74SS**  trans-46.4122172.7-79.7-172.214400104.1P83 Q87P83-E85 PolarHBondContact O-N 2.74Å; E85-Q87 VanDerWaalsContact C-N 3.33Å; E85-Q87 VanDerWaalsContact O-CA 3.3Å; E85-Q87 WeakPolarHBondContact O-CA 3.3Å; E85-Q87 PolarHBondContact O-N 3.49Å
86P46.4Very low49.3Very low114 Ų114142.7 Ų142.774%0.7470%0.703SS**  trans-52108.9-173.418.9-31000105.2R88P86-R88 WeakPolarHBondContact O-CA 3.34Å; P86-R88 PolarHBondContact O-N 2.75Å
87Q50.7Low50.8Low179 Ų179138.4 Ų138.484%0.83668%0.682SS**  trans-52.697.9-160.9-130.6162.1-27.600105.2E85 Q89E85-Q87 VanDerWaalsContact C-N 3.33Å; E85-Q87 VanDerWaalsContact O-CA 3.3Å; E85-Q87 WeakPolarHBondContact O-CA 3.3Å; E85-Q87 PolarHBondContact O-N 3.49Å; Q87-Q89 VanDerWaalsContact C-N 3.32Å; Q87-Q89 PolarHBondContact O-N 2.99Å
88R52Low52.9Low225 Ų225133 Ų13385%0.84966%0.659SS**  trans-62.8108.7-169.1-81-174.2-177167.33.2102.8P86 R90P86-R88 WeakPolarHBondContact O-CA 3.34Å; P86-R88 PolarHBondContact O-N 2.75Å; R88-R90 VanDerWaalsContact C-N 3.32Å; R88-R90 PolarHBondContact O-N 2.91Å
89Q55.9Low54.6Low128 Ų128132 Ų13260%0.59864%0.644SS**  trans-53.5105.8-172.8-76.7150.5-27.600105.4Q87 R91 T96Q87-Q89 VanDerWaalsContact C-N 3.32Å; Q87-Q89 PolarHBondContact O-N 2.99Å; Q89-R91 WeakPolarHBondContact O-CG 3.46Å; Q89-R91 PolarHBondContact O-N 3.35Å; Q89-T96 HydrophobicContact CB-CG2 4.14Å
90R56.7Low56Low211 Ų211128.8 Ų128.880%0.79662%0.623SS**  trans-61.2118.1-172.8-69.7-171.8176.5-171.1-0.7104.9R88 V97R88-R90 VanDerWaalsContact C-N 3.32Å; R88-R90 PolarHBondContact O-N 2.91Å; R90-V97 HydrophobicContact CB-CG2 4.47Å; R90-V97 WeakPolarHBondContact O-CG2 3.37Å; R90-V97 PolarHBondContact O-N 3.2Å
91R50Low57.6Low165 Ų165129 Ų12962%0.62362%0.617SS**EExtended strand (participates in β ladder)trans-92.1127.5179-66.8-176.4179-110.70.9106.9Q89 W95 T96Q89-R91 WeakPolarHBondContact O-CG 3.46Å; Q89-R91 PolarHBondContact O-N 3.35Å; R91-W95 WeakPolarHBondContact CA-O 3.23Å; R91-T96 HydrophobicContact CG-CG2 4.37Å
92V57.8Low59Low91 Ų91130.3 Ų130.355%0.55262%0.615SS**EExtended strand (participates in β ladder)trans-95.198.2163.7-177.80000105.1R94 W95 L100V92-R94 PolarHBondContact O-N 3.15Å; V92-W95 PolarHBondContact N-O 3.18Å; V92-W95 PolarHBondContact O-N 3.15Å; V92-L100 HydrophobicContact CB-CD1 4Å; V92-L100 HydrophobicContact CG2-CD1 4.21Å
93G68.3Low60Low69 Ų69127.6 Ų127.671%0.71161%0.606SS**THydrogen-bonded Turntrans59.7-119.2-170.600000112.3
94R75.7Confident61Low210 Ų210128.6 Ų128.679%0.79261%0.605SS**THydrogen-bonded Turntrans-85.4-14.5-176.5-159.2173-175.4-113.21.9113.8V92V92-R94 PolarHBondContact O-N 3.15Å
95W65.4Low61.8Low152 Ų152123.3 Ų123.358%0.57660%0.6SS**EExtended strand (participates in β ladder)trans-106.8142.6-172.2-59.3-76.8000112.4R91 V92 L100R91-W95 WeakPolarHBondContact CA-O 3.23Å; V92-W95 PolarHBondContact N-O 3.18Å; V92-W95 PolarHBondContact O-N 3.15Å; W95-L100 HydrophobicContact CB-CD2 4.24Å; W95-L100 HydrophobicContact CB-CG 4.21Å
96T77.4Confident62.5Low17 Ų17121.1 Ų121.110%0.10459%0.592CS.*EExtended strand (participates in β ladder)trans-78.2150.317053.50000110.3Q89 R91 D98 Q99 L100Q89-T96 HydrophobicContact CB-CG2 4.14Å; R91-T96 HydrophobicContact CG-CG2 4.37Å; T96-D98 PolarHBondContact O-N 3.26Å; T96-D98 VanDerWaalsContact O-N 3.15Å; T96-Q99 WeakPolarHBondContact O-CB 3.3Å; T96-Q99 PolarHBondContact O-N 3.3Å; T96-Q99 VanDerWaalsContact OG1-CD 3.28Å; T96-Q99 VanDerWaalsContact OG1-CG 3.23Å; T96-Q99 WeakPolarHBondContact OG1-CG 3.47Å; T96-Q99 PolarHBondContact OG1-OE1 3.42Å; T96-L100 PolarHBondContact O-N 2.94Å
97V67.8Low62.9Low51 Ų51119.7 Ų119.731%0.30958%0.581SS.*Hα-helixtrans-51.9-38.7176.91720000112.6R90 Q99 L100 R101R90-V97 HydrophobicContact CB-CG2 4.47Å; R90-V97 WeakPolarHBondContact O-CG2 3.37Å; R90-V97 PolarHBondContact O-N 3.2Å; V97-Q99 VanDerWaalsContact C-N 3.29Å; V97-Q99 PolarHBondContact O-N 3.32Å; V97-L100 PolarHBondContact O-N 3.37Å; V97-R101 HydrophobicContact CG1-CG 4.47Å; V97-R101 PolarHBondContact O-N 2.97Å
98D73.1Confident62.9Low84 Ų84114.3 Ų114.345%0.44956%0.561SS.*Hα-helixtrans-64.6-31.6177.8-62.5-32.4000113.2T96 Q102T96-D98 PolarHBondContact O-N 3.26Å; T96-D98 VanDerWaalsContact O-N 3.15Å; D98-Q102 VanDerWaalsContact O-CG 3.3Å; D98-Q102 WeakPolarHBondContact O-CG 3.38Å; D98-Q102 PolarHBondContact O-N 3.22Å; D98-Q102 VanDerWaalsContact O-N 3.15Å
99Q70.9Confident62.7Low90 Ų90111.7 Ų111.742%0.42156%0.563SS.*Hα-helixtrans-72.1-38175.3-74.1170.9-10.800110.7T96 V97 Q102 T103T96-Q99 WeakPolarHBondContact O-CB 3.3Å; T96-Q99 PolarHBondContact O-N 3.3Å; T96-Q99 VanDerWaalsContact OG1-CD 3.28Å; T96-Q99 VanDerWaalsContact OG1-CG 3.23Å; T96-Q99 WeakPolarHBondContact OG1-CG 3.47Å; T96-Q99 PolarHBondContact OG1-OE1 3.42Å; V97-Q99 VanDerWaalsContact C-N 3.29Å; V97-Q99 PolarHBondContact O-N 3.32Å; Q99-Q102 WeakPolarHBondContact O-CB 3.45Å; Q99-Q102 PolarHBondContact O-N 3Å; Q99-T103 PolarHBondContact O-N 3.24Å
100L69.3Low62.3Low61 Ų61114 Ų11432%0.31957%0.574SS.*Hα-helixtrans-65.9-42.3174.9-66.8172.7000111.3V92 W95 T96 V97 Q102 T103 D104V92-L100 HydrophobicContact CB-CD1 4Å; V92-L100 HydrophobicContact CG2-CD1 4.21Å; W95-L100 HydrophobicContact CB-CD2 4.24Å; W95-L100 HydrophobicContact CB-CG 4.21Å; T96-L100 PolarHBondContact O-N 2.94Å; V97-L100 PolarHBondContact O-N 3.37Å; L100-Q102 VanDerWaalsContact C-N 3.26Å; L100-Q102 PolarHBondContact O-N 3.13Å; L100-T103 WeakPolarHBondContact O-CA 3.43Å; L100-T103 WeakPolarHBondContact O-CB 3.35Å; L100-T103 PolarHBondContact O-N 3.35Å; L100-T103 PolarHBondContact O-OG1 3.29Å; L100-D104 PolarHBondContact O-N 2.64Å
101R69.5Low62.1Low167 Ų167109 Ų10963%0.6356%0.556SS**Hα-helixtrans-61.7-32.6174.5-71.8-177.1-169.7-178.13.2113.1V97 T103 D104V97-R101 HydrophobicContact CG1-CG 4.47Å; V97-R101 PolarHBondContact O-N 2.97Å; R101-T103 PolarHBondContact O-N 2.87Å; R101-D104 PolarHBondContact O-N 2.78Å
102Q68.8Low62.2Low146 Ų146104 Ų10468%0.68256%0.556SS**Hα-helixtrans-65.2-25.1172.1-72.2169.919.600112.3D98 Q99 L100D98-Q102 VanDerWaalsContact O-CG 3.3Å; D98-Q102 WeakPolarHBondContact O-CG 3.38Å; D98-Q102 PolarHBondContact O-N 3.22Å; D98-Q102 VanDerWaalsContact O-N 3.15Å; Q99-Q102 WeakPolarHBondContact O-CB 3.45Å; Q99-Q102 PolarHBondContact O-N 3Å; L100-Q102 VanDerWaalsContact C-N 3.26Å; L100-Q102 PolarHBondContact O-N 3.13Å
103T58.7Low61.8Low68 Ų68103.6 Ų103.642%0.41755%0.554SS.*Hα-helixtrans-84.7-13.3175.168.40000114.4Q99 L100 R101 G105 I106Q99-T103 PolarHBondContact O-N 3.24Å; L100-T103 WeakPolarHBondContact O-CA 3.43Å; L100-T103 WeakPolarHBondContact O-CB 3.35Å; L100-T103 PolarHBondContact O-N 3.35Å; L100-T103 PolarHBondContact O-OG1 3.29Å; R101-T103 PolarHBondContact O-N 2.87Å; T103-G105 PolarHBondContact O-N 3.29Å; T103-G105 VanDerWaalsContact O-N 3.13Å; T103-I106 CarbonylContact O-C 3.37Å; T103-I106 VanDerWaalsContact O-CA 3.32Å; T103-I106 WeakPolarHBondContact O-CA 3.42Å; T103-I106 WeakPolarHBondContact O-CB 3.32Å; T103-I106 PolarHBondContact O-N 3.31Å; T103-I106 VanDerWaalsContact O-O 3.12Å
104D61Low61.4Low130 Ų130106.4 Ų106.470%0.69555%0.552SS**THydrogen-bonded Turntrans-60.9-26178-72.9-22.1000112.5L100 R101L100-D104 PolarHBondContact O-N 2.64Å; R101-D104 PolarHBondContact O-N 2.78Å
105G59.7Low60.1Low72 Ų72104.6 Ų104.674%0.74255%0.55SS**THydrogen-bonded Turntrans-81.1-16.7171.300000114.2T103 V107T103-G105 PolarHBondContact O-N 3.29Å; T103-G105 VanDerWaalsContact O-N 3.13Å; G105-V107 PolarHBondContact O-N 3.24Å
106I58.2Low59.8Low114 Ų114106 Ų10659%0.58556%0.561SS**SBendtrans-93.782.2176.9-52.1176.8000106.8T103 P108T103-I106 CarbonylContact O-C 3.37Å; T103-I106 VanDerWaalsContact O-CA 3.32Å; T103-I106 WeakPolarHBondContact O-CA 3.42Å; T103-I106 WeakPolarHBondContact O-CB 3.32Å; T103-I106 PolarHBondContact O-N 3.31Å; T103-I106 VanDerWaalsContact O-O 3.12Å; I106-P108 WeakPolarHBondContact O-CD 3.13Å
107V53.2Low58.8Low84 Ų84107.8 Ų107.851%0.50958%0.577SS.*  trans-51.8113163.2177.30000106.5G105 L109 Y111G105-V107 PolarHBondContact O-N 3.24Å; V107-L109 PolarHBondContact O-N 3.32Å; V107-Y111 HydrophobicContact CG1-CG 4.27Å; V107-Y111 VanDerWaalsContact CG1-O 3.23Å; V107-Y111 WeakPolarHBondContact CG1-O 3.46Å
108P51.1Low58.1Low65 Ų65109 Ų10942%0.42259%0.588SS.*  trans-51.4137.7-179.5-21.927.9000107.5I106 Q110 Y111I106-P108 WeakPolarHBondContact O-CD 3.13Å; P108-Q110 HydrophobicContact CB-CB 4.49Å; P108-Q110 PolarHBondContact O-N 3.28Å; P108-Y111 HydrophobicContact CB-CD2 3.85Å; P108-Y111 HydrophobicContact CB-CE2 4.28Å; P108-Y111 HydrophobicContact CG-CD2 3.65Å; P108-Y111 HydrophobicContact CG-CE2 3.79Å; P108-Y111 WeakPolarHBondContact O-CA 3.31Å; P108-Y111 WeakPolarHBondContact O-CB 3.46Å; P108-Y111 PolarHBondContact O-N 3.45Å
109L48Very low57.5Low171 Ų171111 Ų11190%0.89560%0.595SS**THydrogen-bonded Turntrans-50.5-23.7-179.3-106.589.8000113.1V107 Y111V107-L109 PolarHBondContact O-N 3.32Å; L109-Y111 VanDerWaalsContact C-N 3.27Å; L109-Y111 PolarHBondContact O-N 3.37Å
110Q48.7Very low56.8Low176 Ų176117.9 Ų117.982%0.82262%0.617SS**THydrogen-bonded Turntrans-56.8-36.9171.9-64.1-168.3-3400113.1P108 G112P108-Q110 HydrophobicContact CB-CB 4.49Å; P108-Q110 PolarHBondContact O-N 3.28Å; Q110-G112 PolarHBondContact O-N 3.06Å
111Y52.2Low56.1Low105 Ų105118.5 Ų118.541%0.41264%0.638SS.*SBendtrans-84.189.1168.7-62.6-90.4000107.7V107 P108 L109 T113V107-Y111 HydrophobicContact CG1-CG 4.27Å; V107-Y111 VanDerWaalsContact CG1-O 3.23Å; V107-Y111 WeakPolarHBondContact CG1-O 3.46Å; P108-Y111 HydrophobicContact CB-CD2 3.85Å; P108-Y111 HydrophobicContact CB-CE2 4.28Å; P108-Y111 HydrophobicContact CG-CD2 3.65Å; P108-Y111 HydrophobicContact CG-CE2 3.79Å; P108-Y111 WeakPolarHBondContact O-CA 3.31Å; P108-Y111 WeakPolarHBondContact O-CB 3.46Å; P108-Y111 PolarHBondContact O-N 3.45Å; L109-Y111 VanDerWaalsContact C-N 3.27Å; L109-Y111 PolarHBondContact O-N 3.37Å; Y111-T113 PolarHBondContact O-N 3.31Å
112G50.6Low55.7Low61 Ų61115.4 Ų115.463%0.62963%0.632SS**  trans-47.6111.3-174.300000113.3Q110Q110-G112 PolarHBondContact O-N 3.06Å
113T51.2Low55.1Low83 Ų83111.1 Ų111.151%0.50962%0.615SS.*  trans-67.8135.7174.1179.70000110.6Y111 K115Y111-T113 PolarHBondContact O-N 3.31Å; T113-K115 PolarHBondContact OG1-N 3.27Å
114N58Low54.7Low127 Ų127109.7 Ų109.768%0.67962%0.615SS**  trans-88.31.3175.655.5-21.8000113.2F116 A117N114-F116 PolarHBondContact O-N 3.13Å; N114-F116 VanDerWaalsContact O-N 3.09Å; N114-A117 HydrophobicContact CB-CB 4.22Å; N114-A117 WeakPolarHBondContact O-CB 3.48Å; N114-A117 PolarHBondContact O-N 3.5Å
115K49.9Very low54.2Low172 Ų172112.7 Ų112.775%0.74862%0.622SS**THydrogen-bonded Turntrans-58.1-29-175.7-164.8177.8-71-172.50113.3T113T113-K115 PolarHBondContact OG1-N 3.27Å
116F58.4Low54Low183 Ų183112.7 Ų112.780%0.80362%0.621SS**THydrogen-bonded Turntrans-109.97.8176.8-51.7-70.4000113.2N114 S118N114-F116 PolarHBondContact O-N 3.13Å; N114-F116 VanDerWaalsContact O-N 3.09Å; F116-S118 PolarHBondContact O-N 3.01Å; F116-S118 VanDerWaalsContact O-N 3.14Å
117A57.3Low53.9Low54 Ų54110.7 Ų110.745%0.44661%0.614SS.*  trans-78.5100.8178.500000109.6N114 Q119N114-A117 HydrophobicContact CB-CB 4.22Å; N114-A117 WeakPolarHBondContact O-CB 3.48Å; N114-A117 PolarHBondContact O-N 3.5Å; A117-Q119 PolarHBondContact O-N 2.84Å
118S52.9Low54Low77 Ų77112.3 Ų112.354%0.53863%0.627SS.*  trans-61.2126.8170.8143.40000110.6F116 R120F116-S118 PolarHBondContact O-N 3.01Å; F116-S118 VanDerWaalsContact O-N 3.14Å; S118-R120 PolarHBondContact O-N 3.27Å; S118-R120 VanDerWaalsContact O-N 3.1Å; S118-R120 WeakPolarHBondContact OG-CB 3.23Å; S118-R120 PolarHBondContact OG-N 3.44Å
119Q60.7Low54.1Low126 Ų126118 Ų11859%0.58964%0.64SS**  trans-61-14.1171.1-16770.427.500112.9A117 G121 M122A117-Q119 PolarHBondContact O-N 2.84Å; Q119-G121 PolarHBondContact O-N 2.92Å; Q119-M122 WeakPolarHBondContact O-CB 3.37Å; Q119-M122 PolarHBondContact O-N 3.18Å
120R55.2Low54.4Low234 Ų234115 Ų11588%0.88363%0.625SS**THydrogen-bonded Turntrans-58.7113.6179.1-157.316095.1107.6-5.6109.7S118S118-R120 PolarHBondContact O-N 3.27Å; S118-R120 VanDerWaalsContact O-N 3.1Å; S118-R120 WeakPolarHBondContact OG-CB 3.23Å; S118-R120 PolarHBondContact OG-N 3.44Å
121G55.2Low54.8Low73 Ų73112.9 Ų112.975%0.75362%0.624SS**THydrogen-bonded Turntrans892.8-177.600000115.8Q119Q119-G121 PolarHBondContact O-N 2.92Å
122M60.3Low54.9Low103 Ų103112.7 Ų112.751%0.50764%0.638SS.*THydrogen-bonded Turntrans-80.7-22.7177-70.9-175.47100113.6Q119Q119-M122 WeakPolarHBondContact O-CB 3.37Å; Q119-M122 PolarHBondContact O-N 3.18Å
123T56Low54.9Low55 Ų55113.9 Ų113.934%0.33763%0.633SS.*SBendtrans-90.6123.3166.913.80000108.2
124G51.4Low55.1Low39 Ų39119 Ų11940%0.40265%0.649SS.*PPolyproline II helixtrans-56145.5174.600000110.3G126 T127G124-G126 PolarHBondContact O-N 3.29Å; G124-G126 VanDerWaalsContact O-N 3.16Å; G124-T127 PolarHBondContact O-N 3.19Å; G124-T127 VanDerWaalsContact O-N 3.15Å; G124-T127 PolarHBondContact O-OG1 3.09Å; G124-T127 VanDerWaalsContact O-OG1 3.07Å
125F50.5Low55Low193 Ų193118.4 Ų118.485%0.84665%0.649SS**THydrogen-bonded Turntrans-53.6124170.1-177.6-96.2000108.9
126G54.5Low55.2Low71 Ų71116 Ų11673%0.73265%0.649SS**THydrogen-bonded Turntrans93.3-1.6179.500000116.4G124 P128G124-G126 PolarHBondContact O-N 3.29Å; G124-G126 VanDerWaalsContact O-N 3.16Å; G126-P128 WeakPolarHBondContact O-CD 3.48Å
127T56Low55.2Low72 Ų72109.1 Ų109.144%0.44262%0.623SS.*  trans-73.7118.5170.2-32.40000109.3G124 R129G124-T127 PolarHBondContact O-N 3.19Å; G124-T127 VanDerWaalsContact O-N 3.15Å; G124-T127 PolarHBondContact O-OG1 3.09Å; G124-T127 VanDerWaalsContact O-OG1 3.07Å; T127-R129 PolarHBondContact O-N 3.31Å; T127-R129 VanDerWaalsContact O-N 3.15Å
128P55.8Low55.6Low118 Ų118116 Ų11677%0.76665%0.646SS**  trans-60.8121.6178.522.9-30.7000109.1G126 N130G126-P128 WeakPolarHBondContact O-CD 3.48Å; P128-N130 PolarHBondContact O-N 2.96Å
129R54Low56.4Low185 Ų185119.6 Ų119.670%0.69866%0.659SS**  trans-73.7113.5167.3-70.9-176.6177173.7-0.6106.4T127 T131T127-R129 PolarHBondContact O-N 3.31Å; T127-R129 VanDerWaalsContact O-N 3.15Å; R129-T131 VanDerWaalsContact C-N 3.31Å; R129-T131 HydrophobicContact CB-CG2 4.32Å; R129-T131 PolarHBondContact O-N 3.21Å
130N53Low56.4Low108 Ų108119.7 Ų119.758%0.57866%0.663SS**  trans-62.998.7170.4-167.2-18.4000107.7P128 S132 T133P128-N130 PolarHBondContact O-N 2.96Å; N130-S132 PolarHBondContact OD1-N 2.73Å; N130-S132 PolarHBondContact OD1-OG 3.42Å; N130-T133 WeakPolarHBondContact ND2-CG2 3.45Å; N130-T133 PolarHBondContact OD1-N 2.82Å; N130-T133 VanDerWaalsContact OD1-N 3.15Å
131T57.2Low56.9Low132 Ų132117.7 Ų117.781%0.8166%0.663SS**  trans-100.3-2.6175.747.10000111.1R129R129-T131 VanDerWaalsContact C-N 3.31Å; R129-T131 HydrophobicContact CB-CG2 4.32Å; R129-T131 PolarHBondContact O-N 3.21Å
132S55.2Low57.3Low100 Ų100122.2 Ų122.270%0.69967%0.665SS**  trans-107.33.3-171.958.30000113.9N130 K134N130-S132 PolarHBondContact OD1-N 2.73Å; N130-S132 PolarHBondContact OD1-OG 3.42Å; S132-K134 VanDerWaalsContact C-N 3.26Å; S132-K134 PolarHBondContact O-N 3.42Å
133T50Low57.3Low86 Ų86123.2 Ų123.253%0.52867%0.672SS.*  trans-63.696.2166.145.90000108.3N130 V135N130-T133 WeakPolarHBondContact ND2-CG2 3.45Å; N130-T133 PolarHBondContact OD1-N 2.82Å; N130-T133 VanDerWaalsContact OD1-N 3.15Å; T133-V135 PolarHBondContact O-N 3.37Å
134K54.8Low58Low192 Ų192124.3 Ų124.384%0.83568%0.68SS**  trans-55.495.4159.1-123.8-176.7178.9-1690105.4S132 V136S132-K134 VanDerWaalsContact C-N 3.26Å; S132-K134 PolarHBondContact O-N 3.42Å; K134-V136 VanDerWaalsContact C-N 3.3Å; K134-V136 PolarHBondContact O-N 3.27Å
135V56.3Low58.6Low114 Ų114128.8 Ų128.869%0.69169%0.69SS**  trans-7296.7174.5179.10000105.6T133 S137T133-V135 PolarHBondContact O-N 3.37Å; V135-S137 PolarHBondContact O-N 3.13Å
136V55.1Low59.4Low122 Ų122126.6 Ų126.674%0.73968%0.683SS**  trans-79.9107.3168-171.10000105.4K134K134-V136 VanDerWaalsContact C-N 3.3Å; K134-V136 PolarHBondContact O-N 3.27Å
137S57.9Low59.8Low37 Ų37127.5 Ų127.526%0.25967%0.67SS.*  trans-119136.1170.363.50000108.2V135 N139 L140V135-S137 PolarHBondContact O-N 3.13Å; S137-N139 PolarHBondContact O-N 2.84Å; S137-L140 PolarHBondContact O-N 2.82Å; S137-L140 WeakPolarHBondContact OG-CB 3.05Å; S137-L140 WeakPolarHBondContact OG-CD1 3.36Å
138E65.8Low60.1Low198 Ų198126.6 Ų126.693%0.92567%0.67SS**THydrogen-bonded Turntrans-55.7-21.2-179.6-61.9178.5179.600113.3
139N69Low60.4Low154 Ų154126.5 Ų126.582%0.82465%0.654SS**THydrogen-bonded Turntrans-98.2-0.2-175.9-49.3-27.4000114S137S137-N139 PolarHBondContact O-N 2.84Å
140L62Low60.8Low127 Ų127124.1 Ų124.167%0.66565%0.652SS**SBendtrans-108.4124.8175-94.384.6000109.9S137 E142S137-L140 PolarHBondContact O-N 2.82Å; S137-L140 WeakPolarHBondContact OG-CB 3.05Å; S137-L140 WeakPolarHBondContact OG-CD1 3.36Å; L140-E142 PolarHBondContact O-N 3.39Å
141Q64.6Low60.9Low192 Ų192121.8 Ų121.890%0.89765%0.645SS**PPolyproline II helixtrans-62.9132.1166.9-91.5170.7-33.700110.2L143Q141-L143 PolarHBondContact O-N 2.72Å
142E63.2Low60.7Low169 Ų169122 Ų12279%0.7964%0.637SS**PPolyproline II helixtrans-63.6127172.3-63.3-171.8162.600109.4L140L140-E142 PolarHBondContact O-N 3.39Å
143L60.7Low60.7Low124 Ų124122.2 Ų122.265%0.64964%0.638SS**PPolyproline II helixtrans-70.2134.2173.9-78.6168.2000109.3Q141 E145 I147Q141-L143 PolarHBondContact O-N 2.72Å; L143-E145 PolarHBondContact O-N 2.8Å; L143-I147 HydrophobicContact CD2-CG2 4.43Å
144P70.3Confident60.9Low77 Ų77125.5 Ų125.550%0.565%0.647SS.*PPolyproline II helixtrans-50137.5170.9-26.232.8000111.4E146 I147 A148P144-E146 PolarHBondContact O-N 2.85Å; P144-I147 HydrophobicContact CG-CD1 4.32Å; P144-I147 PolarHBondContact O-N 3.25Å; P144-A148 PolarHBondContact O-N 2.92Å
145E64.8Low60.7Low134 Ų134119.7 Ų119.763%0.62663%0.627SS**Hα-helixtrans-56.9-29.9-172.7-60.1-173.5166.600113.5L143 I147 A148 R149L143-E145 PolarHBondContact O-N 2.8Å; E145-I147 PolarHBondContact O-N 2.7Å; E145-A148 PolarHBondContact O-N 3.41Å; E145-R149 WeakPolarHBondContact O-CB 3.4Å; E145-R149 VanDerWaalsContact O-CG 3.32Å; E145-R149 WeakPolarHBondContact O-CG 3.29Å; E145-R149 PolarHBondContact O-N 3.31Å; E145-R149 IonicContact OE2-CZ 3.37Å; E145-R149 IonicContact OE2-NH1 3.38Å; E145-R149 PolarHBondContact OE2-NH1 3.23Å; E145-R149 IonicContact OE2-NH2 3.85Å
146E67.1Low60.3Low146 Ų146122 Ų12268%0.68262%0.624SS**Hα-helixtrans-61.2-41.3175.4-70.5179.7-175.700112.6P144 R149 M150P144-E146 PolarHBondContact O-N 2.85Å; E146-R149 PolarHBondContact O-N 3.09Å; E146-M150 PolarHBondContact O-N 3.28Å
147I64.2Low59.7Low90 Ų90123.6 Ų123.646%0.46263%0.627SS.*Hα-helixtrans-72.6-36.4178.4-58.1177.8000110.3L143 P144 E145 M150L143-I147 HydrophobicContact CD2-CG2 4.43Å; P144-I147 HydrophobicContact CG-CD1 4.32Å; P144-I147 PolarHBondContact O-N 3.25Å; E145-I147 PolarHBondContact O-N 2.7Å; I147-M150 PolarHBondContact O-N 3.11Å
148A61.2Low59Low53 Ų53130.8 Ų130.844%0.43866%0.657SS.*Hα-helixtrans-62.5-44.8174.900000111.3P144 E145 S151P144-A148 PolarHBondContact O-N 2.92Å; E145-A148 PolarHBondContact O-N 3.41Å; A148-S151 PolarHBondContact O-OG 2.89Å
149R63.2Low58.2Low117 Ų117124.7 Ų124.744%0.44264%0.636SS.*Hα-helixtrans-71.8-23.9178.9-71.4-173.3-65.7-108.70.2114.1E145 E146 S151 E152E145-R149 WeakPolarHBondContact O-CB 3.4Å; E145-R149 VanDerWaalsContact O-CG 3.32Å; E145-R149 WeakPolarHBondContact O-CG 3.29Å; E145-R149 PolarHBondContact O-N 3.31Å; E145-R149 IonicContact OE2-CZ 3.37Å; E145-R149 IonicContact OE2-NH1 3.38Å; E145-R149 PolarHBondContact OE2-NH1 3.23Å; E145-R149 IonicContact OE2-NH2 3.85Å; E146-R149 PolarHBondContact O-N 3.09Å; R149-S151 PolarHBondContact O-N 3.06Å; R149-S151 VanDerWaalsContact O-N 3.15Å; R149-E152 WeakPolarHBondContact O-CB 3.44Å; R149-E152 PolarHBondContact O-N 3.15Å
150M61.3Low57Low135 Ų135120 Ų12067%0.66562%0.624SS**Hα-helixtrans-52.3-39.1174.5-93.6176.76000111.9E146 I147 E152 S153E146-M150 PolarHBondContact O-N 3.28Å; I147-M150 PolarHBondContact O-N 3.11Å; M150-E152 VanDerWaalsContact C-N 3.27Å; M150-E152 PolarHBondContact O-N 3.3Å; M150-S153 PolarHBondContact O-N 3.3Å; M150-S153 PolarHBondContact O-OG 2.88Å
151S54.6Low56.1Low59 Ų59116.1 Ų116.141%0.41361%0.605SS.*Hα-helixtrans-75.6-8.2179.974.10000115A148 R149 E154A148-S151 PolarHBondContact O-OG 2.89Å; R149-S151 PolarHBondContact O-N 3.06Å; R149-S151 VanDerWaalsContact O-N 3.15Å; S151-E154 CarbonylContact O-C 3.4Å
152E53.6Low55.4Low137 Ų137112.7 Ų112.764%0.6459%0.594SS**Hα-helixtrans-76.8-33.2173.9-66.6179.6163.500111.4R149 M150 V155R149-E152 WeakPolarHBondContact O-CB 3.44Å; R149-E152 PolarHBondContact O-N 3.15Å; M150-E152 VanDerWaalsContact C-N 3.27Å; M150-E152 PolarHBondContact O-N 3.3Å; E152-V155 WeakPolarHBondContact O-CG2 3.38Å
153S55.3Low54.5Low103 Ų103113.6 Ų113.672%0.7259%0.59SS**Hα-helixtrans-69.5-44.2177.5720000111.5M150 V155M150-S153 PolarHBondContact O-N 3.3Å; M150-S153 PolarHBondContact O-OG 2.88Å; S153-V155 PolarHBondContact O-N 2.88Å
154E53.7Low53.8Low155 Ų155116.7 Ų116.772%0.72460%0.598SS**SBendtrans-82.271.2165.9-79.1-167.5147.600109.1S151 R156S151-E154 CarbonylContact O-C 3.4Å; E154-R156 VanDerWaalsContact C-N 3.28Å; E154-R156 PolarHBondContact O-N 3.17Å
155V50.9Low52.8Low70 Ų70115.5 Ų115.542%0.42460%0.595SS.*  trans-45.2102.1161.1176.10000106.7E152 S153 L157 T161E152-V155 WeakPolarHBondContact O-CG2 3.38Å; S153-V155 PolarHBondContact O-N 2.88Å; V155-L157 PolarHBondContact O-N 3.31Å; V155-T161 HydrophobicContact CG1-CG2 4.28Å
156R47.7Very low51.9Low162 Ų162113.2 Ų113.261%0.61159%0.593SS**  trans-49.2110.5-170.6-66.8166.9112.192.4-2.7106.4E154 Q158 S159E154-R156 VanDerWaalsContact C-N 3.28Å; E154-R156 PolarHBondContact O-N 3.17Å; R156-Q158 PolarHBondContact O-N 3.15Å; R156-S159 WeakPolarHBondContact CB-OG 3.41Å; R156-S159 CarbonylContact O-C 3.4Å; R156-S159 WeakPolarHBondContact O-CA 3.45Å; R156-S159 PolarHBondContact O-N 3.36Å; R156-S159 PolarHBondContact O-OG 2.95Å
157L43.8Very low51.2Low156 Ų156113.2 Ų113.282%0.81759%0.594SS**THydrogen-bonded Turntrans-57.1-22.4174.3-100.4103000111V155 T161V155-L157 PolarHBondContact O-N 3.31Å; L157-T161 HydrophobicContact CG-CG2 4.16Å
158Q43Very low50.6Low189 Ų189119.9 Ų119.988%0.88361%0.613SS**THydrogen-bonded Turntrans-66.6-32171.1-78.7-155.1-3600114.4R156 G160R156-Q158 PolarHBondContact O-N 3.15Å; Q158-G160 VanDerWaalsContact C-N 3.29Å; Q158-G160 PolarHBondContact O-N 3.47Å
159S48.9Very low50Low69 Ų69120.7 Ų120.748%0.48363%0.627SS.*SBendtrans-84.484.4162.756.20000106.5R156 T161R156-S159 WeakPolarHBondContact CB-OG 3.41Å; R156-S159 CarbonylContact O-C 3.4Å; R156-S159 WeakPolarHBondContact O-CA 3.45Å; R156-S159 PolarHBondContact O-N 3.36Å; R156-S159 PolarHBondContact O-OG 2.95Å; S159-T161 PolarHBondContact O-N 3.11Å
160G43.4Very low49.7Very low55 Ų55120.6 Ų120.657%0.56763%0.633SS**  trans-30.1108.2-17400000112.1Q158 N162Q158-G160 VanDerWaalsContact C-N 3.29Å; Q158-G160 PolarHBondContact O-N 3.47Å; G160-N162 PolarHBondContact O-N 3.49Å; G160-N162 PolarHBondContact O-OD1 3.33Å; G160-N162 VanDerWaalsContact O-OD1 3.13Å
161T43.4Very low49.2Very low46 Ų46116.8 Ų116.828%0.28262%0.617SS.*  trans-68128.9-173.3109.90000107.9V155 L157 S159 R163V155-T161 HydrophobicContact CG1-CG2 4.28Å; L157-T161 HydrophobicContact CG-CG2 4.16Å; S159-T161 PolarHBondContact O-N 3.11Å; T161-R163 PolarHBondContact O-N 3.15Å; T161-R163 VanDerWaalsContact O-N 3.13Å
162N48.6Very low48.7Very low121 Ų121116.2 Ų116.265%0.64762%0.621SS**G310 helixtrans-79.19.1-176.2-57.2-22.7000113G160 F164 A165G160-N162 PolarHBondContact O-N 3.49Å; G160-N162 PolarHBondContact O-OD1 3.33Å; G160-N162 VanDerWaalsContact O-OD1 3.13Å; N162-F164 PolarHBondContact O-N 2.99Å; N162-A165 HydrophobicContact CB-CB 4.14Å; N162-A165 PolarHBondContact O-N 3.37Å
163R45.7Very low48.4Very low188 Ų188118.4 Ų118.471%0.70963%0.628SS**G310 helixtrans-57-25.7-171.8-152.5-179.7-70.4163.3-2.6112.5T161T161-R163 PolarHBondContact O-N 3.15Å; T161-R163 VanDerWaalsContact O-N 3.13Å
164F46Very low47.9Very low189 Ų189117.4 Ų117.483%0.82963%0.634SS**G310 helixtrans-1256.3175.7-50.4-70.6000113.4N162 S166N162-F164 PolarHBondContact O-N 2.99Å; F164-S166 PolarHBondContact O-N 3.08Å; F164-S166 VanDerWaalsContact O-N 3.15Å
165A47.9Very low47.4Very low51 Ų51114 Ų11442%0.42162%0.624SS.*  trans-78.8104.2-179.300000109.1N162 Q167N162-A165 HydrophobicContact CB-CB 4.14Å; N162-A165 PolarHBondContact O-N 3.37Å; A165-Q167 PolarHBondContact O-N 2.93Å
166S47.1Very low47Very low86 Ų86114.1 Ų114.160%0.60164%0.64SS**  trans-58.7119.9169.4-177.10000109.2F164 R168F164-S166 PolarHBondContact O-N 3.08Å; F164-S166 VanDerWaalsContact O-N 3.15Å; S166-R168 PolarHBondContact O-N 3.14Å; S166-R168 WeakPolarHBondContact OG-CB 3.14Å; S166-R168 PolarHBondContact OG-N 3.38Å
167Q51.5Low46.9Very low147 Ų147116.1 Ų116.169%0.68765%0.647SS**  trans-65.71.4174.9-166.2163.427.600113.2A165 G169 M170A165-Q167 PolarHBondContact O-N 2.93Å; Q167-G169 PolarHBondContact O-N 2.92Å; Q167-M170 PolarHBondContact O-N 2.98Å
168R51.2Low46.9Very low229 Ų229116.2 Ų116.286%0.86465%0.648SS**THydrogen-bonded Turntrans-58102.8174.3-177170.8161.880.51.9109.8S166S166-R168 PolarHBondContact O-N 3.14Å; S166-R168 WeakPolarHBondContact OG-CB 3.14Å; S166-R168 PolarHBondContact OG-N 3.38Å
169G50.1Low47Very low71 Ų71112.2 Ų112.273%0.73264%0.636SS**THydrogen-bonded Turntrans92.83.3175.300000116Q167Q167-G169 PolarHBondContact O-N 2.92Å
170M55.3Low46.6Very low114 Ų114114.5 Ų114.556%0.56265%0.647SS**THydrogen-bonded Turntrans-86.1-18.1-179.8-86.3-176.780.500115Q167Q167-M170 PolarHBondContact O-N 2.98Å
171T50.8Low46.5Very low56 Ų56122 Ų12234%0.34466%0.658SS.*SBendtrans-87119.8170.648.20000109.5
172G44.5Very low46.4Very low47 Ų47128.8 Ų128.849%0.48569%0.687SS.*PPolyproline II helixtrans-53.2141.2172.800000111.1G174 T175G172-G174 PolarHBondContact O-N 2.94Å; G172-T175 PolarHBondContact O-N 3.13Å; G172-T175 PolarHBondContact O-OG1 2.99Å
173F47.2Very low46.1Very low183 Ų183126.6 Ų126.680%0.80369%0.686SS**THydrogen-bonded Turntrans-47.4127.6178.5-135-90.1000110.5T175F173-T175 PolarHBondContact O-N 2.98Å
174G44.7Very low46Very low81 Ų81125.5 Ų125.584%0.83569%0.693SS**THydrogen-bonded Turntrans83.8-3.8178.500000116.4G172 G176G172-G174 PolarHBondContact O-N 2.94Å; G174-G176 PolarHBondContact O-N 3.07Å
175T43.7Very low46Very low84 Ų84122.4 Ų122.452%0.51569%0.689SS.*PPolyproline II helixtrans-75123.2169.956.30000109.7G172 F173 R177G172-T175 PolarHBondContact O-N 3.13Å; G172-T175 PolarHBondContact O-OG1 2.99Å; F173-T175 PolarHBondContact O-N 2.98Å; T175-R177 PolarHBondContact O-N 3.39Å
176G43.2Very low46Very low73 Ų73124.7 Ų124.775%0.75370%0.7SS**PPolyproline II helixtrans-56.5127.6175.500000109.5G174 D178G174-G176 PolarHBondContact O-N 3.07Å; G176-D178 PolarHBondContact O-N 3.18Å
177R45.4Very low46.2Very low203 Ų203125.3 Ų125.377%0.76670%0.702SS**PPolyproline II helixtrans-68.7117.5165.7-67.4179.6-176.6158.82105.8T175 V179T175-R177 PolarHBondContact O-N 3.39Å; R177-V179 PolarHBondContact O-N 3.24Å
178D42.7Very low46.2Very low158 Ų158122.4 Ų122.485%0.84570%0.696SS**  trans-64.485.1155.9-97.7-18.9000106.3G176 V180G176-D178 PolarHBondContact O-N 3.18Å; D178-V180 PolarHBondContact O-N 3.39Å
179V45.7Very low46.6Very low105 Ų105120.7 Ų120.764%0.63670%0.698SS**  trans-62.6103.7146.9-176.40000101.4R177 R181R177-V179 PolarHBondContact O-N 3.24Å; V179-R181 HydrophobicContact CG1-CG 4.47Å; V179-R181 PolarHBondContact O-N 3.21Å
180V40.4Very low47.1Very low117 Ų117124.9 Ų124.971%0.70970%0.703SS**  trans-55.788.7158.2178.40000103.6D178 E182D178-V180 PolarHBondContact O-N 3.39Å; V180-E182 HydrophobicContact CG1-CG 4.43Å; V180-E182 PolarHBondContact O-N 2.9Å
181R41.3Very low47Very low212 Ų212125.2 Ų125.280%0.871%0.707SS**  trans-59107.7151.4-68.7-179.4174.9133.1-3.599.8V179 A183V179-R181 HydrophobicContact CG1-CG 4.47Å; V179-R181 PolarHBondContact O-N 3.21Å; R181-A183 HydrophobicContact CB-CB 4.2Å; R181-A183 PolarHBondContact O-N 3.13Å
182E42.3Very low47.4Very low189 Ų189127.8 Ų127.888%0.88373%0.725SS**  trans-5672.9154.7-76.1171.2156.700105.8V180V180-E182 HydrophobicContact CG1-CG 4.43Å; V180-E182 PolarHBondContact O-N 2.9Å
183A40.7Very low47.9Very low76 Ų76133.8 Ų133.863%0.62874%0.744SS**  trans-90.4116.317300000103R181R181-A183 HydrophobicContact CB-CB 4.2Å; R181-A183 PolarHBondContact O-N 3.13Å
184L45.6Very low48.2Very low165 Ų165131.7 Ų131.786%0.86474%0.739SS**SBendtrans80.628.9151.7-139.771000117.2P186L184-P186 WeakPolarHBondContact O-CD 3.18Å
185V45.6Very low49Very low123 Ų123133.3 Ų133.375%0.74573%0.728SS**  trans-95.4104.1145.2-1740000105.7
186P48.2Very low49.6Very low100 Ų100135.5 Ų135.565%0.64973%0.733SS**PPolyproline II helixtrans-52.4130.2169.520.2-28.9000107.2L184L184-P186 WeakPolarHBondContact O-CD 3.18Å
187P51.1Low50.2Low98 Ų98133.7 Ų133.764%0.63671%0.714SS**PPolyproline II helixtrans-53.7135.7-179.822.1-31.9000108Q189P187-Q189 PolarHBondContact O-N 3.21Å
188P50.5Low50.7Low86 Ų86130.9 Ų130.956%0.55871%0.707SS**PPolyproline II helixtrans-52.4122.7173.120.8-30.5000107.4D190 L191P188-D190 PolarHBondContact O-N 2.84Å; P188-L191 HydrophobicContact CG-CD1 4.12Å; P188-L191 HydrophobicContact CG-CG 4.26Å; P188-L191 PolarHBondContact O-N 3.03Å
189Q58.8Low51.2Low194 Ų194128.2 Ų128.291%0.90769%0.69SS**THydrogen-bonded Turntrans-62-5.4-168.5-72.1177.6-500113.8P187P187-Q189 PolarHBondContact O-N 3.21Å
190D60.7Low51.7Low158 Ų158131 Ų13185%0.84569%0.689SS**THydrogen-bonded Turntrans-99.620.8180-83.7-17000114.4P188 P192P188-D190 PolarHBondContact O-N 2.84Å; D190-P192 WeakPolarHBondContact O-CD 3.43Å
191L53.8Low52.3Low122 Ų122132.4 Ų132.464%0.63969%0.69SS**SBendtrans-83.1121.8168.6-71.4173.8000110.3P188 L193P188-L191 HydrophobicContact CG-CD1 4.12Å; P188-L191 HydrophobicContact CG-CG 4.26Å; P188-L191 PolarHBondContact O-N 3.03Å; L191-L193 PolarHBondContact O-N 2.96Å
192P58.6Low52.7Low110 Ų110125.8 Ų125.871%0.71467%0.673SS**PPolyproline II helixtrans-57130.9175.7-19.429.7000110.2D190 M194D190-P192 WeakPolarHBondContact O-CD 3.43Å; P192-M194 PolarHBondContact O-N 3.28Å; P192-M194 VanDerWaalsContact O-N 3.09Å
193L56.4Low52.9Low172 Ų172124.5 Ų124.590%0.90167%0.667SS**PPolyproline II helixtrans-50.1117.5171.5-173.766.9000108.6L191L191-L193 PolarHBondContact O-N 2.96Å
194M53.7Low53.1Low139 Ų139123.9 Ų123.969%0.68567%0.668SS**PPolyproline II helixtrans-69.9139.9178.9-69.9-160.8165.800109.6P192 E196P192-M194 PolarHBondContact O-N 3.28Å; P192-M194 VanDerWaalsContact O-N 3.09Å; M194-E196 PolarHBondContact O-N 3.05Å
195D60.1Low53.2Low115 Ų115121.7 Ų121.762%0.61566%0.656SS**PPolyproline II helixtrans-66.5128.6179.4-166.10.8000110.3G197 K198D195-G197 PolarHBondContact O-N 3.46Å; D195-K198 WeakPolarHBondContact O-CB 3.34Å; D195-K198 PolarHBondContact O-N 2.74Å
196E56.9Low53.2Low131 Ų131119 Ų11961%0.61264%0.639SS**Hα-helixtrans-54.2-24.9-175.5-66.4-176.7171.200112.8M194 K198 E199 R200M194-E196 PolarHBondContact O-N 3.05Å; E196-K198 VanDerWaalsContact C-N 3.34Å; E196-E199 PolarHBondContact O-N 2.97Å; E196-R200 PolarHBondContact O-N 3.14Å; E196-R200 VanDerWaalsContact O-N 3.13Å
197G55.1Low53.2Low35 Ų35123.1 Ų123.136%0.36164%0.642SS.*Hα-helixtrans-64.4-34.617400000113.6D195 M201D195-G197 PolarHBondContact O-N 3.46Å; G197-M201 WeakPolarHBondContact O-CG 3.4Å; G197-M201 PolarHBondContact O-N 3.1Å
198K56.5Low53Low143 Ų143126.9 Ų126.962%0.62266%0.656SS**Hα-helixtrans-76.3-34177-66.9177.8-178.2172.50111.5D195 E196 M201 T202D195-K198 WeakPolarHBondContact O-CB 3.34Å; D195-K198 PolarHBondContact O-N 2.74Å; E196-K198 VanDerWaalsContact C-N 3.34Å; K198-M201 PolarHBondContact O-N 2.94Å; K198-T202 PolarHBondContact O-N 3.06Å
199E53.2Low52.7Low102 Ų102131.6 Ų131.648%0.47767%0.67SS.*Hα-helixtrans-63.8-44.5175.2-60.4-170.9161.100111E196 M201 T202 E203E196-E199 PolarHBondContact O-N 2.97Å; E199-M201 VanDerWaalsContact C-N 3.29Å; E199-M201 PolarHBondContact O-N 3.03Å; E199-T202 CarbonylContact O-C 3.38Å; E199-T202 WeakPolarHBondContact O-CA 3.28Å; E199-T202 PolarHBondContact O-N 3.36Å; E199-T202 PolarHBondContact O-OG1 3.48Å; E199-E203 PolarHBondContact O-N 2.91Å
200R57.1Low52.1Low163 Ų163125.7 Ų125.762%0.61565%0.651SS**Hα-helixtrans-59.5-35.2173.2-96.1-177-77.8-161.9-9113.8E196 T202 E203E196-R200 PolarHBondContact O-N 3.14Å; E196-R200 VanDerWaalsContact O-N 3.13Å; R200-T202 PolarHBondContact O-N 2.74Å; R200-E203 PolarHBondContact O-N 2.97Å
201M51Low51.2Low147 Ų147121.4 Ų121.472%0.72464%0.644SS**Hα-helixtrans-68.2-25.1174.5-69.3-84.8-80.900112G197 K198 E199 I205G197-M201 WeakPolarHBondContact O-CG 3.4Å; G197-M201 PolarHBondContact O-N 3.1Å; K198-M201 PolarHBondContact O-N 2.94Å; E199-M201 VanDerWaalsContact C-N 3.29Å; E199-M201 PolarHBondContact O-N 3.03Å; M201-I205 WeakPolarHBondContact O-CD1 3.45Å; M201-I205 WeakPolarHBondContact O-CG1 3.45Å
202T50.1Low50.6Low74 Ų74119.2 Ų119.245%0.45464%0.636SS.*Hα-helixtrans-89.2-17.9173.5580000113.9K198 E199 R200 G204 I205K198-T202 PolarHBondContact O-N 3.06Å; E199-T202 CarbonylContact O-C 3.38Å; E199-T202 WeakPolarHBondContact O-CA 3.28Å; E199-T202 PolarHBondContact O-N 3.36Å; E199-T202 PolarHBondContact O-OG1 3.48Å; R200-T202 PolarHBondContact O-N 2.74Å; T202-G204 PolarHBondContact O-N 3.37Å; T202-I205 CarbonylContact O-C 3.38Å; T202-I205 PolarHBondContact O-N 3.45Å
203E46.4Very low50.2Low162 Ų162118.8 Ų118.876%0.75763%0.627SS**SBendtrans-6879.6167.3-76.7-167.9139.300110.7E199 R200E199-E203 PolarHBondContact O-N 2.91Å; R200-E203 PolarHBondContact O-N 2.97Å
204G46.2Very low49.6Very low63 Ų63119 Ų11965%0.64962%0.616SS**SBendtrans143-33.9-178.300000111.4T202 V206T202-G204 PolarHBondContact O-N 3.37Å; G204-V206 PolarHBondContact O-N 2.94Å
205I46.4Very low49.1Very low118 Ų118121.3 Ų121.361%0.60562%0.622SS**  trans-80.269.5161.5-49.2175.8000106.9M201 T202 R207M201-I205 WeakPolarHBondContact O-CD1 3.45Å; M201-I205 WeakPolarHBondContact O-CG1 3.45Å; T202-I205 CarbonylContact O-C 3.38Å; T202-I205 PolarHBondContact O-N 3.45Å; I205-R207 PolarHBondContact O-N 3Å
206V46.8Very low48.4Very low66 Ų66119.3 Ų119.340%0.462%0.622SS.*  trans-50.9109.7160.6176.70000105.1G204 L208 S210G204-V206 PolarHBondContact O-N 2.94Å; V206-L208 PolarHBondContact O-N 3.19Å; V206-S210 VanDerWaalsContact CG1-O 3.29Å; V206-S210 WeakPolarHBondContact CG1-O 3.03Å; V206-S210 WeakPolarHBondContact CG1-OG 3.4Å
207R48.6Very low47.6Very low187 Ų187117.4 Ų117.471%0.70662%0.623SS**  trans-43.6120.3175.2-74.3-179.8171.591.4-2.8105.5I205 Q209 S210I205-R207 PolarHBondContact O-N 3Å; R207-Q209 HydrophobicContact CB-CB 4.31Å; R207-Q209 CarbonylContact O-C 3.48Å; R207-Q209 PolarHBondContact O-N 3.31Å; R207-S210 PolarHBondContact O-N 2.76Å; R207-S210 PolarHBondContact O-OG 2.89Å
208L46.1Very low47.4Very low177 Ų177121.9 Ų121.993%0.92764%0.635SS**THydrogen-bonded Turntrans-49.8-17.8179.1-105.2144000112.8V206V206-L208 PolarHBondContact O-N 3.19Å
209Q43.2Very low47Very low185 Ų185124.1 Ų124.186%0.86465%0.645SS**THydrogen-bonded Turntrans-61.6-39.1169.4-66.8-75.9-83.600114.3R207 G211R207-Q209 HydrophobicContact CB-CB 4.31Å; R207-Q209 CarbonylContact O-C 3.48Å; R207-Q209 PolarHBondContact O-N 3.31Å; Q209-G211 PolarHBondContact O-N 2.79Å
210S47.4Very low46.7Very low71 Ų71122.6 Ų122.650%0.49766%0.656SS.*SBendtrans-9280174.161.60000109V206 R207 T212V206-S210 VanDerWaalsContact CG1-O 3.29Å; V206-S210 WeakPolarHBondContact CG1-O 3.03Å; V206-S210 WeakPolarHBondContact CG1-OG 3.4Å; R207-S210 PolarHBondContact O-N 2.76Å; R207-S210 PolarHBondContact O-OG 2.89Å; S210-T212 PolarHBondContact O-N 2.95Å; S210-T212 VanDerWaalsContact O-N 3.12Å
211G41.5Very low46.4Very low67 Ų67120.3 Ų120.369%0.69165%0.654SS**  trans-45120.2-178.900000112.4Q209Q209-G211 PolarHBondContact O-N 2.79Å
212T42Very low46.2Very low77 Ų77117.8 Ų117.847%0.47265%0.647SS.*  trans-72.1132.1175.7175.90000110.3S210 R214S210-T212 PolarHBondContact O-N 2.95Å; S210-T212 VanDerWaalsContact O-N 3.12Å; T212-R214 PolarHBondContact OG1-N 3.17Å; T212-R214 PolarHBondContact OG1-NE 3.45Å
213N49.9Very low45.9Very low100 Ų100115.7 Ų115.754%0.53564%0.64SS.*  trans-93.210.4178.453.8-17.3000113.1F215 A216N213-F215 PolarHBondContact O-N 3.38Å; N213-A216 HydrophobicContact CB-CB 4.05Å; N213-A216 PolarHBondContact O-N 3.46Å
214R43.8Very low45.5Very low178 Ų178116.4 Ų116.467%0.67264%0.64SS**THydrogen-bonded Turntrans-53.5-25-178-99.9-178.9-77.2174.7-9114.5T212T212-R214 PolarHBondContact OG1-N 3.17Å; T212-R214 PolarHBondContact OG1-NE 3.45Å
215F43.6Very low45.2Very low186 Ų186116.7 Ų116.782%0.81664%0.644SS**THydrogen-bonded Turntrans-121.39.4178.7-51.5-70.1000113N213 S217N213-F215 PolarHBondContact O-N 3.38Å; F215-S217 PolarHBondContact O-N 3.38Å
216A44.5Very low45Very low73 Ų73115.1 Ų115.160%0.60364%0.64SS**  trans-7794.9177.100000108.9N213 Q218N213-A216 HydrophobicContact CB-CB 4.05Å; N213-A216 PolarHBondContact O-N 3.46Å; A216-Q218 PolarHBondContact O-N 3.02Å
217S40.6Very low44.7Very low92 Ų92117.7 Ų117.764%0.64366%0.661SS**  trans-60.1119.2170-176.70000109.6F215 K219F215-S217 PolarHBondContact O-N 3.38Å; S217-K219 PolarHBondContact O-N 3.36Å; S217-K219 VanDerWaalsContact O-N 3.12Å; S217-K219 WeakPolarHBondContact OG-CB 3.37Å; S217-K219 PolarHBondContact OG-N 3.32Å
218Q51.3Low44.4Very low128 Ų128117.3 Ų117.360%0.59866%0.659SS**  trans-71.24.5173-172.2155.42300112.7A216 G220 M221A216-Q218 PolarHBondContact O-N 3.02Å; Q218-G220 PolarHBondContact O-N 3.25Å; Q218-M221 HydrophobicContact CB-SD 4.29Å; Q218-M221 HydrophobicContact CG-CB 3.8Å; Q218-M221 HydrophobicContact CG-CE 4.39Å; Q218-M221 HydrophobicContact CG-CG 4.12Å; Q218-M221 HydrophobicContact CG-SD 3.72Å; Q218-M221 PolarHBondContact O-N 2.98Å; Q218-M221 VanDerWaalsContact O-N 3.09Å
219K47.7Very low44.2Very low191 Ų191119.6 Ų119.683%0.8366%0.656SS**THydrogen-bonded Turntrans-56.9113.2176.9-166.5176.5-173.9-179.70109.4S217S217-K219 PolarHBondContact O-N 3.36Å; S217-K219 VanDerWaalsContact O-N 3.12Å; S217-K219 WeakPolarHBondContact OG-CB 3.37Å; S217-K219 PolarHBondContact OG-N 3.32Å
220G45.6Very low44.2Very low69 Ų69118.2 Ų118.271%0.71165%0.649SS**THydrogen-bonded Turntrans90.910.2178.500000116.3Q218 T222Q218-G220 PolarHBondContact O-N 3.25Å; G220-T222 VanDerWaalsContact C-N 3.33Å
221M50.8Low43.9Very low116 Ų116121.4 Ų121.457%0.57167%0.665SS**  trans-77.1-13.3177-86.7-177.954.800114.9Q218Q218-M221 HydrophobicContact CB-SD 4.29Å; Q218-M221 HydrophobicContact CG-CB 3.8Å; Q218-M221 HydrophobicContact CG-CE 4.39Å; Q218-M221 HydrophobicContact CG-CG 4.12Å; Q218-M221 HydrophobicContact CG-SD 3.72Å; Q218-M221 PolarHBondContact O-N 2.98Å; Q218-M221 VanDerWaalsContact O-N 3.09Å
222T47.9Very low43.8Very low94 Ų94122.6 Ų122.658%0.57766%0.659SS**SBendtrans-94.1113174.2-46.70000108.2G220 T226G220-T222 VanDerWaalsContact C-N 3.33Å; T222-T226 WeakPolarHBondContact CG2-OG1 3.5Å
223G43.5Very low43.6Very low30 Ų30128.6 Ų128.631%0.30968%0.679SS.*  trans-59.3143176.100000110.9G225 T226G223-G225 PolarHBondContact O-N 3.27Å; G223-T226 PolarHBondContact O-N 3.21Å; G223-T226 VanDerWaalsContact O-N 3.1Å; G223-T226 PolarHBondContact O-OG1 2.78Å
224F38Very low43.3Very low176 Ų176130.8 Ų130.877%0.77269%0.688SS**THydrogen-bonded Turntrans-47.9128.9170.9-178-99.1000110.2F270F224-F270 HydrophobicContact CE2-CD1 4.49Å
225G39Very low43.3Very low70 Ų70129.1 Ų129.172%0.72269%0.692SS**THydrogen-bonded Turntrans82.71.217900000116.5G223G223-G225 PolarHBondContact O-N 3.27Å
226T42.4Very low43.5Very low84 Ų84123.3 Ų123.352%0.51567%0.669SS.*  trans-87.5122.7174.758.20000111.8T222 G223T222-T226 WeakPolarHBondContact CG2-OG1 3.5Å; G223-T226 PolarHBondContact O-N 3.21Å; G223-T226 VanDerWaalsContact O-N 3.1Å; G223-T226 PolarHBondContact O-OG1 2.78Å
227S40.2Very low44Very low120 Ų120125.4 Ų125.484%0.83968%0.679SS**  trans-73.3126.3176.2-52.10000110.5R229S227-R229 PolarHBondContact O-N 3.04Å
228R44.2Very low44.7Very low180 Ų180129.5 Ų129.568%0.67969%0.686SS**  trans-73.5114.5172.1-167.7172.6-167.5-97.40.9108.3E230R228-E230 PolarHBondContact O-N 3.23Å
229R40.7Very low44.6Very low225 Ų225128.3 Ų128.385%0.84968%0.68SS**  trans-67.3101.4171.1-135.9-177.5-153.3-151.25107.2S227 V231S227-R229 PolarHBondContact O-N 3.04Å; R229-V231 PolarHBondContact O-N 3.35Å
230E42.6Very low45Very low155 Ų155124.3 Ų124.372%0.72467%0.674SS**  trans-61.6133.4161.5-65.2-175.9175.200106.4R228 T232R228-E230 PolarHBondContact O-N 3.23Å; E230-T232 VanDerWaalsContact C-N 3.32Å; E230-T232 PolarHBondContact O-N 3.44Å
231V42Very low45.5Very low139 Ų139129.9 Ų129.984%0.84268%0.681SS**  trans-55.7102.4179.5-176.40000106.4R229 K233R229-V231 PolarHBondContact O-N 3.35Å; V231-K233 PolarHBondContact O-N 3.46Å
232T38.8Very low45.3Very low91 Ų91130.6 Ų130.656%0.55868%0.683SS**  trans-62.8112.6175.8270000106E230 M234E230-T232 VanDerWaalsContact C-N 3.32Å; E230-T232 PolarHBondContact O-N 3.44Å; T232-M234 WeakPolarHBondContact O-CG 3.25Å; T232-M234 PolarHBondContact O-N 2.93Å
233K39.4Very low45.2Very low204 Ų204129.4 Ų129.489%0.88767%0.673SS**  trans-62.685.3172.3-58.7179.9-178.7-174.10107.7V231V231-K233 PolarHBondContact O-N 3.46Å
234M42.2Very low45.5Very low146 Ų146132 Ų13272%0.71969%0.685SS**  trans-106.4121.8174.647.3-155.7-76.100107.3T232 D236T232-M234 WeakPolarHBondContact O-CG 3.25Å; T232-M234 PolarHBondContact O-N 2.93Å; M234-D236 PolarHBondContact O-N 3.49Å; M234-D236 VanDerWaalsContact O-N 3.12Å
235N44Very low46Very low142 Ų142131.5 Ų131.576%0.75969%0.685SS**  trans-69.1101.4173.5-170.9-3.5000107.2S237N235-S237 PolarHBondContact O-N 3.43Å
236D47.4Very low46.2Very low65 Ų65134.3 Ų134.335%0.34868%0.679SS.*  trans-80.9100-178.9-171.6-6.7000109.8M234 K238 H239M234-D236 PolarHBondContact O-N 3.49Å; M234-D236 VanDerWaalsContact O-N 3.12Å; D236-K238 PolarHBondContact O-N 2.95Å; D236-K238 WeakPolarHBondContact OD1-CB 3.11Å; D236-K238 PolarHBondContact OD1-N 3.01Å; D236-H239 CarbonylContact O-C 3.5Å; D236-H239 PolarHBondContact O-N 3.06Å; D236-H239 IonicContact OD2-CD2 3.58Å; D236-H239 PolarHBondContact OD2-CD2 3.26Å
237S55Low46.4Very low116 Ų116134.6 Ų134.681%0.81168%0.682SS**THydrogen-bonded Turntrans-55.8-20.5174.9-84.30000114.3N235N235-S237 PolarHBondContact O-N 3.43Å
238K55.6Low46.5Very low178 Ų178135.7 Ų135.777%0.77468%0.679SS**THydrogen-bonded Turntrans-85.6-15.8179.5-62.8-171.2-179.1-176.10113.1D236D236-K238 PolarHBondContact O-N 2.95Å; D236-K238 WeakPolarHBondContact OD1-CB 3.11Å; D236-K238 PolarHBondContact OD1-N 3.01Å
239H49.1Very low46.2Very low104 Ų104133.9 Ų133.948%0.48168%0.678SS.*  trans-134.669-179.8-66-60.2000110.5D236 E241 Q242D236-H239 CarbonylContact O-C 3.5Å; D236-H239 PolarHBondContact O-N 3.06Å; D236-H239 IonicContact OD2-CD2 3.58Å; D236-H239 PolarHBondContact OD2-CD2 3.26Å; H239-E241 PolarHBondContact O-N 3.34Å; H239-E241 VanDerWaalsContact O-N 3.14Å; H239-Q242 HydrophobicContact CB-CG 4.24Å; H239-Q242 PolarHBondContact O-N 2.87Å
240P55.8Low46.3Very low107 Ų107127.1 Ų127.170%0.69567%0.665SS**THydrogen-bonded Turntrans-63.9-17.9-179.927.1-35.2000113.5Q242P240-Q242 PolarHBondContact O-N 3.36Å
241E56.3Low46.4Very low186 Ų186124.1 Ų124.187%0.86966%0.661SS**THydrogen-bonded Turntrans-71.3-16.4174.9-61-171.9-17100113H239 D243H239-E241 PolarHBondContact O-N 3.34Å; H239-E241 VanDerWaalsContact O-N 3.14Å; E241-D243 VanDerWaalsContact C-N 3.28Å; E241-D243 PolarHBondContact O-N 2.96Å
242Q48.1Very low46.4Very low131 Ų131121.1 Ų121.161%0.61264%0.639SS**  trans-82.179.6171.9-67.7179.89.400108.7H239 P240 P244H239-Q242 HydrophobicContact CB-CG 4.24Å; H239-Q242 PolarHBondContact O-N 2.87Å; P240-Q242 PolarHBondContact O-N 3.36Å; Q242-P244 WeakPolarHBondContact O-CD 3.31Å; Q242-P244 VanDerWaalsContact O-N 3.15Å
243D45.5Very low46.3Very low68 Ų68120.7 Ų120.736%0.36464%0.638SS.*  trans-62.5110.3171-175.6-6000109.3E241 E245 H246E241-D243 VanDerWaalsContact C-N 3.28Å; E241-D243 PolarHBondContact O-N 2.96Å; D243-E245 PolarHBondContact O-N 2.94Å; D243-E245 PolarHBondContact OD1-N 3.43Å; D243-H246 HydrophobicContact CB-CB 4.4Å; D243-H246 CarbonylContact O-C 3.58Å; D243-H246 PolarHBondContact O-N 3.15Å; D243-H246 IonicContact OD2-CD2 3.2Å; D243-H246 PolarHBondContact OD2-CD2 2.92Å; D243-H246 IonicContact OD2-CG 3.67Å
244P49.2Very low46.3Very low86 Ų86118.3 Ų118.356%0.55864%0.635SS**SBendtrans-66.3-19.3-179.2-15.831.1000112.7Q242Q242-P244 WeakPolarHBondContact O-CD 3.31Å; Q242-P244 VanDerWaalsContact O-N 3.15Å
245E47.5Very low46.4Very low165 Ų165119.5 Ų119.577%0.77164%0.638SS**SBendtrans-89.3-24.2-178.4-59.5-160.8160.500112.6D243 P247D243-E245 PolarHBondContact O-N 2.94Å; D243-E245 PolarHBondContact OD1-N 3.43Å; E245-P247 VanDerWaalsContact C-CD 3.49Å; E245-P247 WeakPolarHBondContact O-CD 3.08Å
246H44.7Very low46.5Very low128 Ų128115.8 Ų115.859%0.59362%0.623SS**  trans-125.671.3178.6-65-45.8000111.9D243 D248D243-H246 HydrophobicContact CB-CB 4.4Å; D243-H246 CarbonylContact O-C 3.58Å; D243-H246 PolarHBondContact O-N 3.15Å; D243-H246 IonicContact OD2-CD2 3.2Å; D243-H246 PolarHBondContact OD2-CD2 2.92Å; D243-H246 IonicContact OD2-CG 3.67Å; H246-D248 VanDerWaalsContact C-N 3.27Å; H246-D248 PolarHBondContact O-N 2.97Å
247P46.6Very low46.2Very low90 Ų90115.2 Ų115.258%0.58463%0.633SS**  trans-6496.516429.1-33.2000107.8E245 Q249 S250E245-P247 VanDerWaalsContact C-CD 3.49Å; E245-P247 WeakPolarHBondContact O-CD 3.08Å; P247-Q249 PolarHBondContact O-N 3.15Å; P247-S250 PolarHBondContact O-N 3.22Å
248D41.3Very low45.6Very low144 Ų144112.3 Ų112.377%0.7761%0.611SS**SBendtrans-603.1170.737.6-27.9000112.8H246 S250H246-D248 VanDerWaalsContact C-N 3.27Å; H246-D248 PolarHBondContact O-N 2.97Å; D248-S250 VanDerWaalsContact C-N 3.31Å; D248-S250 PolarHBondContact O-N 2.78Å
249Q38.9Very low45.3Very low141 Ų141108.6 Ų108.666%0.65960%0.599SS**  trans-88.136.9166.4-61.8-174.2800114.2P247 S251 I252P247-Q249 PolarHBondContact O-N 3.15Å; Q249-S251 PolarHBondContact O-N 2.71Å; Q249-I252 HydrophobicContact CB-CG1 4.21Å; Q249-I252 WeakPolarHBondContact O-CG1 3.32Å; Q249-I252 PolarHBondContact O-N 2.85Å; Q249-I252 VanDerWaalsContact O-N 3.15Å
250S42.8Very low45.1Very low83 Ų83111.6 Ų111.658%0.5861%0.606SS**THydrogen-bonded Turntrans-60.9-9.5163.575.90000112.5P247 D248 R260P247-S250 PolarHBondContact O-N 3.22Å; D248-S250 VanDerWaalsContact C-N 3.31Å; D248-S250 PolarHBondContact O-N 2.78Å; S250-R260 PolarHBondContact O-NH1 2.85Å; S250-R260 PolarHBondContact O-NH2 3.28Å
251S43Very low44.6Very low92 Ų92115.5 Ų115.564%0.64361%0.613SS**THydrogen-bonded Turntrans-109.650.3169.1580000112.2Q249 P253Q249-S251 PolarHBondContact O-N 2.71Å; S251-P253 WeakPolarHBondContact O-CD 3.5Å
252I42.3Very low44.3Very low76 Ų76109.6 Ų109.639%0.3960%0.596SS.*  trans-54.1111.2158.3-69.8175000106.3Q249 L254 S256Q249-I252 HydrophobicContact CB-CG1 4.21Å; Q249-I252 WeakPolarHBondContact O-CG1 3.32Å; Q249-I252 PolarHBondContact O-N 2.85Å; Q249-I252 VanDerWaalsContact O-N 3.15Å; I252-L254 PolarHBondContact O-N 2.84Å; I252-S256 WeakPolarHBondContact CG2-O 3.41Å; I252-S256 WeakPolarHBondContact CG2-OG 3.39Å
253P37.9Very low44Very low82 Ų82107.7 Ų107.753%0.53260%0.597SS.*  trans-57.4140-175.722.3-31.2000107.3S251 Q255 S256S251-P253 WeakPolarHBondContact O-CD 3.5Å; P253-Q255 PolarHBondContact O-N 2.82Å; P253-S256 PolarHBondContact O-N 3Å
254L39Very low44.3Very low155 Ų155111.9 Ų111.981%0.81261%0.614SS**THydrogen-bonded Turntrans-46.1-14.3-179.6-85.2146.4000115.1I252 S256 T258I252-L254 PolarHBondContact O-N 2.84Å; L254-S256 VanDerWaalsContact C-N 3.3Å; L254-T258 HydrophobicContact CD2-CG2 4.18Å
255Q43.8Very low44.1Very low170 Ų170117.1 Ų117.179%0.79463%0.628SS**THydrogen-bonded Turntrans-62.7-31169.1-67-170.8-56.800114P253P253-Q255 PolarHBondContact O-N 2.82Å
256S47.1Very low44.1Very low64 Ų64112.9 Ų112.945%0.44863%0.629SS.*SBendtrans-10097174.3154.10000107.2I252 P253 L254 T258I252-S256 WeakPolarHBondContact CG2-O 3.41Å; I252-S256 WeakPolarHBondContact CG2-OG 3.39Å; P253-S256 PolarHBondContact O-N 3Å; L254-S256 VanDerWaalsContact C-N 3.3Å; S256-T258 PolarHBondContact O-N 3.18Å
257G40.6Very low44.3Very low54 Ų54112.3 Ų112.356%0.55763%0.628SS**  trans-33.9106.1-172.800000113.8N259G257-N259 PolarHBondContact O-OD1 3.15Å
258T42.2Very low44.5Very low55 Ų55113.2 Ų113.234%0.33763%0.632SS.*  trans-82.6134.2178.4176.90000110.2L254 S256L254-T258 HydrophobicContact CD2-CG2 4.18Å; S256-T258 PolarHBondContact O-N 3.18Å
259N48.6Very low44.6Very low100 Ų100108.5 Ų108.554%0.53562%0.618SS.*  trans-93.26.3-173.6-51.3-30.6000112.8G257 F261 A262G257-N259 PolarHBondContact O-OD1 3.15Å; N259-F261 PolarHBondContact O-N 2.94Å; N259-A262 HydrophobicContact CB-CB 4.4Å; N259-A262 PolarHBondContact O-N 3.07Å
260R44.9Very low44.8Very low166 Ų166110.6 Ų110.663%0.62663%0.625SS**THydrogen-bonded Turntrans-54.4-26.7-173.3-84.2-174.6-171.1138.18.4114.4S250S250-R260 PolarHBondContact O-NH1 2.85Å; S250-R260 PolarHBondContact O-NH2 3.28Å
261F46.3Very low44.8Very low189 Ų189110.3 Ų110.383%0.82963%0.634SS**THydrogen-bonded Turntrans-116.58.9-177.3-50.8-70.7000113N259 S263N259-F261 PolarHBondContact O-N 2.94Å; F261-S263 PolarHBondContact O-N 3.49Å
262A49.4Very low44.8Very low62 Ų62109.5 Ų109.551%0.51263%0.626SS.*  trans-75.6106.8-179.800000110.1N259 Q264N259-A262 HydrophobicContact CB-CB 4.4Å; N259-A262 PolarHBondContact O-N 3.07Å; A262-Q264 PolarHBondContact O-N 3.16Å
263S42.1Very low44.8Very low92 Ų92110.5 Ų110.564%0.64365%0.645SS**  trans-63.1120.9173.2-175.70000110.3F261 K265F261-S263 PolarHBondContact O-N 3.49Å; S263-K265 PolarHBondContact O-N 3.28Å; S263-K265 VanDerWaalsContact O-N 3.1Å
264Q51.8Low45.2Very low156 Ų156115.5 Ų115.573%0.72965%0.654SS**  trans-71.2-0.6179.9-166.3160.623.200113.9A262 G266 M267A262-Q264 PolarHBondContact O-N 3.16Å; Q264-G266 PolarHBondContact O-N 3.4Å; Q264-M267 HydrophobicContact CG-CB 4.34Å; Q264-M267 PolarHBondContact O-N 3.19Å
265K46.2Very low45.3Very low196 Ų196119.5 Ų119.585%0.85266%0.658SS**THydrogen-bonded Turntrans-63.5110.3-177.7-154.8176.1-173.5178.80109.8S263S263-K265 PolarHBondContact O-N 3.28Å; S263-K265 VanDerWaalsContact O-N 3.1Å
266G46.8Very low45.4Very low76 Ų76117.8 Ų117.878%0.78465%0.65SS**THydrogen-bonded Turntrans86.417.817800000115.9Q264Q264-G266 PolarHBondContact O-N 3.4Å
267M48.9Very low45.2Very low115 Ų115122.7 Ų122.757%0.56767%0.67SS**  trans-87.8-11.1-177-79.7-173.758.600116Q264Q264-M267 HydrophobicContact CG-CB 4.34Å; Q264-M267 PolarHBondContact O-N 3.19Å
268T50.2Low45.1Very low110 Ų110125 Ų12568%0.67567%0.674SS**SBendtrans-87.7119.4171.71.60000109T272T268-T272 WeakPolarHBondContact CG2-OG1 3.43Å
269G44.5Very low45.1Very low45 Ų45129.6 Ų129.646%0.46469%0.691SS.*PPolyproline II helixtrans-59.6145.7176.100000111.3G271 T272G269-G271 PolarHBondContact O-N 3.42Å; G269-T272 PolarHBondContact O-N 3.26Å; G269-T272 PolarHBondContact O-OG1 3.16Å; G269-T272 VanDerWaalsContact O-OG1 3.06Å
270F41.6Very low44.9Very low185 Ų185132.6 Ų132.681%0.81170%0.704SS**THydrogen-bonded Turntrans-47.1127.8170.1179.6-99.8000110.8F224F224-F270 HydrophobicContact CE2-CD1 4.49Å
271G43.1Very low45.1Very low76 Ų76128.9 Ų128.978%0.78470%0.699SS**THydrogen-bonded Turntrans85.6-0.5176.300000116.6G269 A273G269-G271 PolarHBondContact O-N 3.42Å; G271-A273 PolarHBondContact O-N 2.81Å
272T44.5Very low45.2Very low76 Ų76123.4 Ų123.447%0.46668%0.679SS.*  trans-72.7120.517358.50000110.3T268 G269 R274T268-T272 WeakPolarHBondContact CG2-OG1 3.43Å; G269-T272 PolarHBondContact O-N 3.26Å; G269-T272 PolarHBondContact O-OG1 3.16Å; G269-T272 VanDerWaalsContact O-OG1 3.06Å; T272-R274 PolarHBondContact O-N 3.49Å; T272-R274 VanDerWaalsContact O-N 3.13Å
273A42Very low45.9Very low96 Ų96125.9 Ų125.979%0.79369%0.692SS**  trans-60.9115.2173.700000109.6G271 R275G271-A273 PolarHBondContact O-N 2.81Å; A273-R275 PolarHBondContact O-N 3.03Å; A273-R275 VanDerWaalsContact O-N 3.13Å
274R45.7Very low47Very low187 Ų187130 Ų13071%0.70670%0.699SS**  trans-70.3107166.4-147-179.3-166.1-1544.9105.1T272 E276T272-R274 PolarHBondContact O-N 3.49Å; T272-R274 VanDerWaalsContact O-N 3.13Å; R274-E276 IonicContact NH1-OE1 3.99Å; R274-E276 PolarHBondContact O-N 3.22Å
275R41.6Very low46.9Very low239 Ų239127.1 Ų127.190%0.90269%0.685SS**  trans-66.384.8166.7-92.2-175.8171.6174.9-3.3106.6A273 L277A273-R275 PolarHBondContact O-N 3.03Å; A273-R275 VanDerWaalsContact O-N 3.13Å; R275-L277 PolarHBondContact O-N 3.13Å
276E46.5Very low47.5Very low134 Ų134121.5 Ų121.563%0.62667%0.668SS**  trans-54.3116.1149.2-59.2-80.7146.500103.5R274 T278R274-E276 IonicContact NH1-OE1 3.99Å; R274-E276 PolarHBondContact O-N 3.22Å; E276-T278 VanDerWaalsContact C-N 3.29Å; E276-T278 PolarHBondContact O-N 3.34Å
277L42.9Very low48Very low167 Ų167126 Ų12687%0.87467%0.669SS**  trans-59.398.7-178-162149.9000106.4R275 H279R275-L277 PolarHBondContact O-N 3.13Å; L277-H279 PolarHBondContact O-N 3.15Å
278T38.6Very low48.2Very low103 Ų103128.9 Ų128.963%0.63268%0.675SS**  trans-63.8113.7-177.340.60000106.9E276 M280E276-T278 VanDerWaalsContact C-N 3.29Å; E276-T278 PolarHBondContact O-N 3.34Å; T278-M280 VanDerWaalsContact C-N 3.32Å; T278-M280 PolarHBondContact O-N 3.13Å
279H41.7Very low48Very low151 Ų151128.1 Ų128.170%0.69967%0.666SS**  trans-60.493.2174.9-175.4-105.1000108.9L277 V281L277-H279 PolarHBondContact O-N 3.15Å; H279-V281 WeakPolarHBondContact CE1-CG2 3.37Å; H279-V281 WeakPolarHBondContact ND1-CG2 3.36Å; H279-V281 PolarHBondContact O-N 3.13Å
280M44.2Very low48.2Very low164 Ų164130.8 Ų130.881%0.80867%0.674SS**  trans-87.4103.5172.1-68.1-176.7174.700106.9T278 D282T278-M280 VanDerWaalsContact C-N 3.32Å; T278-M280 PolarHBondContact O-N 3.13Å; M280-D282 PolarHBondContact O-N 3.22Å
281V48.9Very low48.2Very low88 Ų88128.5 Ų128.553%0.53367%0.67SS.*  trans-78.1101.6168-1770000106.8H279 S283H279-V281 WeakPolarHBondContact CE1-CG2 3.37Å; H279-V281 WeakPolarHBondContact ND1-CG2 3.36Å; H279-V281 PolarHBondContact O-N 3.13Å; V281-S283 PolarHBondContact O-N 3.13Å
282D47.5Very low48.1Very low74 Ų74131.2 Ų131.240%0.39666%0.662SS.*  trans-76.4108.9171.8-171.6-10.6000109.3M280 K284 H285M280-D282 PolarHBondContact O-N 3.22Å; D282-K284 PolarHBondContact O-N 3.42Å; D282-K284 PolarHBondContact OD1-N 3.25Å; D282-H285 HydrophobicContact CB-CB 4.46Å; D282-H285 CarbonylContact O-C 3.39Å; D282-H285 PolarHBondContact O-N 2.65Å; D282-H285 IonicContact OD2-CD2 3.69Å; D282-H285 PolarHBondContact OD2-CD2 2.84Å; D282-H285 IonicContact OD2-CG 3.76Å
283S64.4Low47.9Very low114 Ų114133 Ų13380%0.79768%0.675SS**THydrogen-bonded Turntrans-62.8-21.8178.8-48.30000113.3V281V281-S283 PolarHBondContact O-N 3.13Å
284K66.6Low47.8Very low179 Ų179133.7 Ų133.778%0.77867%0.665SS**THydrogen-bonded Turntrans-88.8-19.5-179.9-66.8-176.1178.2-179.60112.8D282D282-K284 PolarHBondContact O-N 3.42Å; D282-K284 PolarHBondContact OD1-N 3.25Å
285H49.6Very low47.7Very low94 Ų94132.3 Ų132.344%0.43567%0.667SS.*  trans-138.268-177.3-61.7-65.6000111.2D282 E287 Y288D282-H285 HydrophobicContact CB-CB 4.46Å; D282-H285 CarbonylContact O-C 3.39Å; D282-H285 PolarHBondContact O-N 2.65Å; D282-H285 IonicContact OD2-CD2 3.69Å; D282-H285 PolarHBondContact OD2-CD2 2.84Å; D282-H285 IonicContact OD2-CG 3.76Å; H285-E287 PolarHBondContact O-N 2.85Å; H285-E287 VanDerWaalsContact O-N 3.12Å; H285-Y288 HydrophobicContact CB-CD2 3.32Å; H285-Y288 HydrophobicContact CB-CE2 3.58Å; H285-Y288 HydrophobicContact CB-CG 4.45Å; H285-Y288 AromaticContact CG-CE2 3.8Å; H285-Y288 PolarHBondContact O-N 3.19Å; H285-Y288 VanDerWaalsContact O-N 3.11Å
286P57.6Low47.8Very low78 Ų78125.8 Ų125.851%0.50666%0.664SS.*G310 helixtrans-61-19.3175.925.8-33.7000112.9Y288 L289P286-Y288 PolarHBondContact O-N 3.15Å; P286-L289 WeakPolarHBondContact O-CB 3.47Å; P286-L289 VanDerWaalsContact O-CD1 3.3Å; P286-L289 WeakPolarHBondContact O-CD1 3.32Å; P286-L289 PolarHBondContact O-N 3.36Å
287E56.8Low47.6Very low171 Ų171124.9 Ų124.980%0.79967%0.667SS**G310 helixtrans-57.1-27.2173.3-32-86.2172.800112.8H285 L289H285-E287 PolarHBondContact O-N 2.85Å; H285-E287 VanDerWaalsContact O-N 3.12Å; E287-L289 PolarHBondContact O-N 2.96Å
288Y53.7Low47.5Very low175 Ų175123.3 Ų123.369%0.68666%0.659SS**G310 helixtrans-81.36.4178.5-67.1-58.2000113.3H285 P286 T290H285-Y288 HydrophobicContact CB-CD2 3.32Å; H285-Y288 HydrophobicContact CB-CE2 3.58Å; H285-Y288 HydrophobicContact CB-CG 4.45Å; H285-Y288 AromaticContact CG-CE2 3.8Å; H285-Y288 PolarHBondContact O-N 3.19Å; H285-Y288 VanDerWaalsContact O-N 3.11Å; P286-Y288 PolarHBondContact O-N 3.15Å; Y288-T290 PolarHBondContact O-N 2.99Å
289L46Very low47.5Very low94 Ų94122.2 Ų122.249%0.49265%0.654SS.*  trans-59.695.4159.6-97.298.8000107.4P286 E287 D291P286-L289 WeakPolarHBondContact O-CB 3.47Å; P286-L289 VanDerWaalsContact O-CD1 3.3Å; P286-L289 WeakPolarHBondContact O-CD1 3.32Å; P286-L289 PolarHBondContact O-N 3.36Å; E287-L289 PolarHBondContact O-N 2.96Å; L289-D291 PolarHBondContact O-N 3.19Å
290T48.7Very low47.6Very low102 Ų102123 Ų12363%0.62666%0.662SS**  trans-67.496.8166.4-540000105.4Y288 H292Y288-T290 PolarHBondContact O-N 2.99Å; T290-H292 WeakPolarHBondContact CG2-CD2 3.25Å; T290-H292 WeakPolarHBondContact CG2-NE2 3.2Å; T290-H292 PolarHBondContact O-N 3Å
291D42.5Very low47.4Very low137 Ų137124.2 Ų124.273%0.73367%0.666SS**  trans-55.385.6165.3-72.3-32.7000107.8L289 P293L289-D291 PolarHBondContact O-N 3.19Å; D291-P293 WeakPolarHBondContact O-CD 3.14Å
292H39.7Very low47.2Very low132 Ų132126.1 Ų126.161%0.61167%0.67SS**  trans-99.687.6161.1-82.4-49.2000106.8T290 D294T290-H292 WeakPolarHBondContact CG2-CD2 3.25Å; T290-H292 WeakPolarHBondContact CG2-NE2 3.2Å; T290-H292 PolarHBondContact O-N 3Å; H292-D294 PolarHBondContact O-N 3.15Å
293P41.7Very low46.9Very low115 Ų115126.1 Ų126.175%0.74769%0.688SS**THydrogen-bonded Turntrans-66.910.9-177.328.1-35.9000115.2D291D291-P293 WeakPolarHBondContact O-CD 3.14Å
294D38.7Very low45.8Very low110 Ų110124 Ų12459%0.58867%0.671SS**THydrogen-bonded Turntrans-100.4-11.8-166.2-45.346.9000113H292 A296 V297H292-D294 PolarHBondContact O-N 3.15Å; D294-A296 PolarHBondContact O-N 2.94Å; D294-V297 PolarHBondContact O-N 3.19Å; D294-V297 VanDerWaalsContact O-N 3.08Å
295Q44.2Very low45.2Very low158 Ų158121.8 Ų121.874%0.73867%0.667SS**THydrogen-bonded Turntrans-68.6-16.1-174.8-72.3-167.513.300114.4V297Q295-V297 PolarHBondContact O-N 3.24Å
296A43.4Very low45.1Very low101 Ų101125.2 Ų125.284%0.83568%0.681SS**THydrogen-bonded Turntrans-66.1-25.217300000112D294D294-A296 PolarHBondContact O-N 2.94Å
297V43.3Very low44.9Very low115 Ų115130.5 Ų130.570%0.69770%0.696SS**SBendtrans-111.477.4177.8-171.70000108.1D294 Q295 P299D294-V297 PolarHBondContact O-N 3.19Å; D294-V297 VanDerWaalsContact O-N 3.08Å; Q295-V297 PolarHBondContact O-N 3.24Å; V297-P299 WeakPolarHBondContact O-CD 3.18Å
298L39.7Very low44.5Very low135 Ų135125.9 Ų125.971%0.70769%0.687SS**  trans-60.6109167.4-69.3173.9000107.9L300L298-L300 PolarHBondContact O-N 2.73Å
299P38.6Very low44Very low80 Ų80121.4 Ų121.452%0.51968%0.681SS.*  trans-61131.1-179.524.7-31.4000108V297 Q301 M302V297-P299 WeakPolarHBondContact O-CD 3.18Å; P299-Q301 PolarHBondContact O-N 3.28Å; P299-M302 PolarHBondContact O-N 3.47Å
300L43.3Very low44.3Very low168 Ų168124.9 Ų124.988%0.8870%0.695SS**THydrogen-bonded Turntrans-49.9-12.7179.5-82.6153.1000114.5L298 M302L298-L300 PolarHBondContact O-N 2.73Å; L300-M302 VanDerWaalsContact C-N 3.29Å
301Q41.6Very low44Very low189 Ų189128.6 Ų128.688%0.88371%0.706SS**THydrogen-bonded Turntrans-68.4-25.2173.2-162.9174.3-56.600113.2P299 G303P299-Q301 PolarHBondContact O-N 3.28Å; Q301-G303 PolarHBondContact O-N 3.06Å
302M44.8Very low44.1Very low127 Ų127125.9 Ų125.963%0.62671%0.71SS**SBendtrans-83.193.9170.1-65.7-71.2-83.800107.7P299 L300 T304P299-M302 PolarHBondContact O-N 3.47Å; L300-M302 VanDerWaalsContact C-N 3.29Å; M302-T304 PolarHBondContact O-N 3.46Å
303G40.5Very low44.6Very low75 Ų75126.7 Ų126.777%0.77372%0.716SS**  trans-39.4111.4-175.300000112.7Q301Q301-G303 PolarHBondContact O-N 3.06Å
304T41.6Very low44.9Very low69 Ų69125.6 Ų125.642%0.42371%0.707SS.*  trans-70.1132.8-180-179.70000110.1M302 K306M302-T304 PolarHBondContact O-N 3.46Å; T304-K306 VanDerWaalsContact C-N 3.28Å; T304-K306 WeakPolarHBondContact OG1-CE 3.36Å; T304-K306 PolarHBondContact OG1-N 2.91Å
305N53.4Low45.3Very low132 Ų132122.4 Ų122.471%0.70670%0.7SS**G310 helixtrans-83.31.5175.858.8-15.4000113.3F307 A308N305-F307 PolarHBondContact O-N 3.3Å; N305-A308 HydrophobicContact CB-CB 4.42Å; N305-A308 PolarHBondContact O-N 3.21Å
306K46.7Very low45.1Very low167 Ų167125.6 Ų125.673%0.72671%0.712SS**G310 helixtrans-57.3-19.5-177.9-76.7-171.6-70.6-130.20114T304T304-K306 VanDerWaalsContact C-N 3.28Å; T304-K306 WeakPolarHBondContact OG1-CE 3.36Å; T304-K306 PolarHBondContact OG1-N 2.91Å
307F53.6Low44.9Very low189 Ų189123.8 Ų123.883%0.82970%0.703SS**G310 helixtrans-124.112.1177.7-51.4-70.7000113.8N305 S309N305-F307 PolarHBondContact O-N 3.3Å; F307-S309 PolarHBondContact O-N 3.36Å; F307-S309 VanDerWaalsContact O-N 3.08Å
308A48.5Very low44.9Very low74 Ų74121.1 Ų121.161%0.61269%0.693SS**  trans-74.2102.5177.200000109.3N305 Q310N305-A308 HydrophobicContact CB-CB 4.42Å; N305-A308 PolarHBondContact O-N 3.21Å; A308-Q310 PolarHBondContact O-N 3.07Å
309S43.5Very low45.2Very low80 Ų80124.2 Ų124.256%0.55970%0.701SS**  trans-65.3126.5173.797.80000109.1F307 Q311F307-S309 PolarHBondContact O-N 3.36Å; F307-S309 VanDerWaalsContact O-N 3.08Å; S309-Q311 PolarHBondContact O-N 3.04Å; S309-Q311 VanDerWaalsContact O-N 3.1Å
310Q51.9Low45.4Very low168 Ų168129.1 Ų129.179%0.78571%0.709SS**  trans-69-2.4175.2-162.8178.638.700112.8A308 G312 M313A308-Q310 PolarHBondContact O-N 3.07Å; Q310-G312 PolarHBondContact O-N 2.76Å; Q310-G312 VanDerWaalsContact O-N 3.07Å; Q310-M313 PolarHBondContact O-N 3.3Å
311Q42.8Very low45.3Very low180 Ų180128.5 Ų128.584%0.84171%0.706SS**THydrogen-bonded Turntrans-65.2111.8-174.9-149.8154.1-3.800109.8S309S309-Q311 PolarHBondContact O-N 3.04Å; S309-Q311 VanDerWaalsContact O-N 3.1Å
312G45.1Very low45.5Very low79 Ų79126.2 Ų126.281%0.81470%0.695SS**THydrogen-bonded Turntrans95.57.9179.200000116.4Q310 T314Q310-G312 PolarHBondContact O-N 2.76Å; Q310-G312 VanDerWaalsContact O-N 3.07Å; G312-T314 VanDerWaalsContact C-N 3.3Å; G312-T314 PolarHBondContact O-N 3.25Å
313M50Low45.4Very low150 Ų150123 Ų12374%0.73968%0.683SS**  trans-80.74.9-179.8-80.5-169.669.900115.9Q310 G315Q310-M313 PolarHBondContact O-N 3.3Å; M313-G315 PolarHBondContact O-N 3.44Å
314T47.1Very low45.4Very low92 Ų92123.5 Ų123.556%0.56469%0.688SS**  trans-81.5107.4177.5-40.30000110G312 A318G312-T314 VanDerWaalsContact C-N 3.3Å; G312-T314 PolarHBondContact O-N 3.25Å; T314-A318 HydrophobicContact CG2-CB 3.88Å
315G46.6Very low45.3Very low43 Ų43123.8 Ų123.844%0.44369%0.687SS.*  trans-60.3144.7174.900000112M313 G317 A318M313-G315 PolarHBondContact O-N 3.44Å; G315-G317 PolarHBondContact O-N 3.26Å; G315-A318 PolarHBondContact O-N 2.78Å; G315-A318 VanDerWaalsContact O-N 3.13Å
316F40.5Very low44.8Very low225 Ų225122.5 Ų122.599%0.98769%0.686SS**THydrogen-bonded Turntrans-51.3122171.9-175.9-98.9000110.1
317G40.6Very low44.8Very low63 Ų63121.2 Ų121.265%0.64969%0.686SS**THydrogen-bonded Turntrans98-4.1-179.900000116G315 F319G315-G317 PolarHBondContact O-N 3.26Å; G317-F319 PolarHBondContact O-N 2.78Å
318A43.2Very low44.3Very low59 Ų59120.5 Ų120.549%0.48868%0.679SS.*  trans-75.7121.2169.100000110.2T314 G315 R320T314-A318 HydrophobicContact CG2-CB 3.88Å; G315-A318 PolarHBondContact O-N 2.78Å; G315-A318 VanDerWaalsContact O-N 3.13Å; A318-R320 PolarHBondContact O-N 3.43Å
319F45.1Very low44.1Very low200 Ų200121.2 Ų121.288%0.87768%0.679SS**  trans-62.2121175.1-56.3-81.3000109.6G317 L321G317-F319 PolarHBondContact O-N 2.78Å; F319-L321 PolarHBondContact O-N 3.02Å; F319-L321 VanDerWaalsContact O-N 3.13Å
320R42.7Very low43.8Very low182 Ų182128.6 Ų128.669%0.68769%0.694SS**  trans-76.798.6173.9-155.3179.6177.3100.8-4.7107.1A318 E322A318-R320 PolarHBondContact O-N 3.43Å; R320-E322 HydrophobicContact CB-CG 4.2Å; R320-E322 VanDerWaalsContact CD-OE1 3.25Å; R320-E322 WeakPolarHBondContact CD-OE1 3.2Å; R320-E322 HydrophobicContact CG-CG 3.57Å; R320-E322 IonicContact CZ-OE1 2.81Å; R320-E322 IonicContact NE-OE1 3.76Å; R320-E322 PolarHBondContact NE-OE1 3.09Å; R320-E322 IonicContact NH2-OE1 2.65Å; R320-E322 PolarHBondContact O-N 3.12Å
321L41.1Very low43.2Very low156 Ų156128 Ų12882%0.81769%0.692SS**  trans-73.575.3171.7-145.992.9000107.6F319 T323F319-L321 PolarHBondContact O-N 3.02Å; F319-L321 VanDerWaalsContact O-N 3.13Å; L321-T323 PolarHBondContact O-N 3.02Å
322E46.5Very low43.2Very low140 Ų140122.5 Ų122.565%0.65468%0.677SS**  trans-70.7-4.9180-71-151.2147.500113R320 G324R320-E322 HydrophobicContact CB-CG 4.2Å; R320-E322 VanDerWaalsContact CD-OE1 3.25Å; R320-E322 WeakPolarHBondContact CD-OE1 3.2Å; R320-E322 HydrophobicContact CG-CG 3.57Å; R320-E322 IonicContact CZ-OE1 2.81Å; R320-E322 IonicContact NE-OE1 3.76Å; R320-E322 PolarHBondContact NE-OE1 3.09Å; R320-E322 IonicContact NH2-OE1 2.65Å; R320-E322 PolarHBondContact O-N 3.12Å; E322-G324 PolarHBondContact O-N 3.06Å; E322-G324 VanDerWaalsContact O-N 3.15Å
323T41.8Very low43.1Very low61 Ų61126 Ų12637%0.37468%0.676SS.*  trans-90.784.6179.8-39.40000109.7L321 N325L321-T323 PolarHBondContact O-N 3.02Å; T323-N325 PolarHBondContact O-N 3.1Å
324G40.8Very low42.8Very low85 Ų85128.2 Ų128.288%0.87668%0.681SS**SBendtrans-63.119174.300000115.8E322E322-G324 PolarHBondContact O-N 3.06Å; E322-G324 VanDerWaalsContact O-N 3.15Å
325N39.2Very low42.4Very low74 Ų74126.9 Ų126.940%0.39668%0.676SS.*SBendtrans-157.3117.4168.8-160-37.6000110.7T323 L327 Y328T323-N325 PolarHBondContact O-N 3.1Å; N325-L327 PolarHBondContact O-N 3.29Å; N325-L327 PolarHBondContact OD1-N 3.31Å; N325-Y328 HydrophobicContact CB-CD2 4.22Å; N325-Y328 PolarHBondContact O-N 3.13Å; N325-Y328 VanDerWaalsContact O-N 3.16Å
326P43.2Very low42Very low105 Ų105132.5 Ų132.568%0.68269%0.691SS**G310 helixtrans-62.3-9.7-177.224-33.6000114.6Y328 C329P326-Y328 VanDerWaalsContact C-N 3.32Å; P326-Y328 PolarHBondContact O-N 3.23Å; P326-C329 WeakPolarHBondContact O-CB 3.29Å; P326-C329 PolarHBondContact O-N 3.1Å
327L47.6Very low42.2Very low141 Ų141125.1 Ų125.174%0.73868%0.678SS**G310 helixtrans-69.4-28.1174.5-65.3-179.4000113.2N325 C329N325-L327 PolarHBondContact O-N 3.29Å; N325-L327 PolarHBondContact OD1-N 3.31Å; L327-C329 PolarHBondContact O-N 3.36Å
328Y42.6Very low42.3Very low174 Ų174128.4 Ų128.468%0.68268%0.679SS**G310 helixtrans-78.9-6.5174.7-68.8-70.9000113.3N325 P326 R330 Q331N325-Y328 HydrophobicContact CB-CD2 4.22Å; N325-Y328 PolarHBondContact O-N 3.13Å; N325-Y328 VanDerWaalsContact O-N 3.16Å; P326-Y328 VanDerWaalsContact C-N 3.32Å; P326-Y328 PolarHBondContact O-N 3.23Å; Y328-R330 PolarHBondContact O-N 3.03Å; Y328-Q331 PolarHBondContact O-N 2.63Å
329C43.4Very low42.3Very low89 Ų89130.4 Ų130.460%0.60168%0.681SS**G310 helixtrans-70-10.4175.6-65.50000113.3P326 L327 Q331P326-C329 WeakPolarHBondContact O-CB 3.29Å; P326-C329 PolarHBondContact O-N 3.1Å; L327-C329 PolarHBondContact O-N 3.36Å; C329-Q331 PolarHBondContact O-N 2.97Å
330R38.9Very low42.2Very low235 Ų235124.8 Ų124.889%0.88767%0.665SS**  trans-79.139.1166.3-68.9-160.1178-154.51112.3Y328 A332Y328-R330 PolarHBondContact O-N 3.03Å; R330-A332 PolarHBondContact O-N 2.86Å
331Q39Very low42.3Very low156 Ų156122 Ų12273%0.72967%0.673SS**  trans-53.2126.5164.7-82.5-178.41.800107.9Y328 C329 L333Y328-Q331 PolarHBondContact O-N 2.63Å; C329-Q331 PolarHBondContact O-N 2.97Å; Q331-L333 PolarHBondContact O-N 3.15Å
332A41.7Very low42.4Very low64 Ų64123.9 Ų123.953%0.52968%0.677SS.*  trans-46133.1-158.800000113.1R330 K334 S335R330-A332 PolarHBondContact O-N 2.86Å; A332-K334 PolarHBondContact O-N 3.36Å; A332-S335 PolarHBondContact O-N 3.44Å; A332-S335 PolarHBondContact O-OG 2.95Å
333L43.9Very low42.4Very low152 Ų152122.7 Ų122.780%0.79667%0.673SS**G310 helixtrans-48.4-20.7174.3-71.5165.4000113.5Q331 S335 Q336Q331-L333 PolarHBondContact O-N 3.15Å; L333-S335 PolarHBondContact O-N 3.12Å; L333-Q336 HydrophobicContact CD2-CG 4.38Å; L333-Q336 WeakPolarHBondContact O-CB 3.42Å; L333-Q336 PolarHBondContact O-N 2.77Å; L333-Q336 VanDerWaalsContact O-N 3.13Å
334K42.8Very low42.3Very low196 Ų196122.4 Ų122.485%0.85268%0.682SS**G310 helixtrans-62.5-18.2173.4-73.7-174.9175.6179.60114.6A332A332-K334 PolarHBondContact O-N 3.36Å
335S38.8Very low42.6Very low65 Ų65121.5 Ų121.546%0.45566%0.662SS.*G310 helixtrans-92.7-7.3175.963.50000113.8A332 L333 G337 I338A332-S335 PolarHBondContact O-N 3.44Å; A332-S335 PolarHBondContact O-OG 2.95Å; L333-S335 PolarHBondContact O-N 3.12Å; S335-G337 PolarHBondContact O-N 2.96Å; S335-I338 PolarHBondContact O-N 3.29Å
336Q39.9Very low43.1Very low160 Ų160123.9 Ų123.975%0.74868%0.675SS**THydrogen-bonded Turntrans-65.897169.7-70.8-73.4-900108.3L333L333-Q336 HydrophobicContact CD2-CG 4.38Å; L333-Q336 WeakPolarHBondContact O-CB 3.42Å; L333-Q336 PolarHBondContact O-N 2.77Å; L333-Q336 VanDerWaalsContact O-N 3.13Å
337G42.9Very low43.1Very low70 Ų70126.5 Ų126.572%0.72268%0.678SS**THydrogen-bonded Turntrans125.5-17178.600000114.9S335 I339S335-G337 PolarHBondContact O-N 2.96Å; G337-I339 PolarHBondContact O-N 3.22Å
338I42.4Very low43Very low132 Ų132128.7 Ų128.768%0.67768%0.682SS**  trans-99.380.6172-53.4175000107.5S335 P340S335-I338 PolarHBondContact O-N 3.29Å; I338-P340 VanDerWaalsContact O-CD 3.25Å; I338-P340 WeakPolarHBondContact O-CD 3.34Å
339I44.2Very low43.2Very low101 Ų101122.8 Ų122.852%0.51867%0.67SS.*  trans-64.1113.6165.3-70.9174.8000106.4G337 S341 M343G337-I339 PolarHBondContact O-N 3.22Å; I339-S341 PolarHBondContact O-N 3.21Å; I339-M343 HydrophobicContact CB-SD 4.1Å; I339-M343 HydrophobicContact CD1-SD 4.13Å; I339-M343 HydrophobicContact CG1-SD 3.8Å; I339-M343 HydrophobicContact CG2-CB 3.67Å; I339-M343 HydrophobicContact CG2-CG 3.33Å; I339-M343 WeakPolarHBondContact CG2-O 3.45Å; I339-M343 HydrophobicContact CG2-SD 3.4Å; I339-M343 WeakPolarHBondContact CG2-SD 3.38Å
340P42.6Very low43.3Very low83 Ų83122.3 Ų122.354%0.53967%0.667SS.*  trans-56.9131.6172.8-4.714000106.9I338 Q342 M343I338-P340 VanDerWaalsContact O-CD 3.25Å; I338-P340 WeakPolarHBondContact O-CD 3.34Å; P340-Q342 PolarHBondContact O-N 3.13Å; P340-M343 WeakPolarHBondContact O-CB 3.43Å; P340-M343 PolarHBondContact O-N 3.02Å
341S46Very low43.9Very low122 Ų122117.7 Ų117.785%0.85366%0.656SS**THydrogen-bonded Turntrans-55.3-10.3-174.7-1660000114.8I339I339-S341 PolarHBondContact O-N 3.21Å
342Q42.7Very low44.3Very low196 Ų196118.9 Ų118.992%0.91666%0.661SS**THydrogen-bonded Turntrans-74.1-27.3171.4-69.3-175.7-41.100113.6P340 G344P340-Q342 PolarHBondContact O-N 3.13Å; Q342-G344 PolarHBondContact O-N 2.78Å
343M45.5Very low44.6Very low116 Ų116119.4 Ų119.457%0.57167%0.672SS**SBendtrans-77.6104.7161.8157.1-178.1-84.800105.7I339 P340 S345I339-M343 HydrophobicContact CB-SD 4.1Å; I339-M343 HydrophobicContact CD1-SD 4.13Å; I339-M343 HydrophobicContact CG1-SD 3.8Å; I339-M343 HydrophobicContact CG2-CB 3.67Å; I339-M343 HydrophobicContact CG2-CG 3.33Å; I339-M343 WeakPolarHBondContact CG2-O 3.45Å; I339-M343 HydrophobicContact CG2-SD 3.4Å; I339-M343 WeakPolarHBondContact CG2-SD 3.38Å; P340-M343 WeakPolarHBondContact O-CB 3.43Å; P340-M343 PolarHBondContact O-N 3.02Å; M343-S345 PolarHBondContact O-N 3.08Å
344G40.6Very low44.9Very low54 Ų54118.9 Ų118.956%0.55767%0.668SS**  trans-46.6125.1-176.600000111.8Q342 N346Q342-G344 PolarHBondContact O-N 2.78Å; G344-N346 PolarHBondContact O-N 3.04Å; G344-N346 PolarHBondContact O-OD1 2.95Å
345S46.1Very low45.2Very low66 Ų66113 Ų11346%0.46265%0.648SS.*  trans-66.3128.5170.9167.40000109.3M343 Q347M343-S345 PolarHBondContact O-N 3.08Å; S345-Q347 PolarHBondContact O-N 3.18Å; S345-Q347 WeakPolarHBondContact OG-CB 3.4Å; S345-Q347 VanDerWaalsContact OG-CD 3.26Å; S345-Q347 WeakPolarHBondContact OG-CG 3.34Å; S345-Q347 PolarHBondContact OG-N 2.83Å; S345-Q347 PolarHBondContact OG-OE1 3.38Å
346N49.4Very low45.4Very low125 Ų125112.4 Ų112.467%0.66865%0.653SS**G310 helixtrans-77.56.2179.8-54.9-23.2000112.9G344 F348 A349G344-N346 PolarHBondContact O-N 3.04Å; G344-N346 PolarHBondContact O-OD1 2.95Å; N346-F348 PolarHBondContact O-N 3Å; N346-A349 HydrophobicContact CB-CB 4.2Å; N346-A349 PolarHBondContact O-N 2.62Å
347Q45Very low45.4Very low160 Ų160114.5 Ų114.575%0.74866%0.66SS**G310 helixtrans-55.5-23.4-176.8-77.3171.5-16.600113.4S345S345-Q347 PolarHBondContact O-N 3.18Å; S345-Q347 WeakPolarHBondContact OG-CB 3.4Å; S345-Q347 VanDerWaalsContact OG-CD 3.26Å; S345-Q347 WeakPolarHBondContact OG-CG 3.34Å; S345-Q347 PolarHBondContact OG-N 2.83Å; S345-Q347 PolarHBondContact OG-OE1 3.38Å
348F45.7Very low45.2Very low187 Ų187114.6 Ų114.682%0.8266%0.661SS**G310 helixtrans-118.15.3178.1-49.9-70.2000113.5N346 S350N346-F348 PolarHBondContact O-N 3Å; F348-S350 PolarHBondContact O-N 3.48Å; F348-S350 VanDerWaalsContact O-N 3.13Å
349A46.5Very low45.1Very low50 Ų50112.3 Ų112.341%0.41365%0.653SS.*  trans-74.9106.5178.100000109.2N346 Q351N346-A349 HydrophobicContact CB-CB 4.2Å; N346-A349 PolarHBondContact O-N 2.62Å; A349-Q351 PolarHBondContact O-N 3.1Å; A349-Q351 VanDerWaalsContact O-N 3.14Å
350S45.5Very low45Very low79 Ų79113.7 Ų113.755%0.55267%0.668SS**  trans-52.4117.8166.1159.90000109F348 Q352F348-S350 PolarHBondContact O-N 3.48Å; F348-S350 VanDerWaalsContact O-N 3.13Å; S350-Q352 PolarHBondContact O-N 2.78Å; S350-Q352 WeakPolarHBondContact OG-CB 2.93Å; S350-Q352 PolarHBondContact OG-N 3.17Å
351Q51.5Low45Very low138 Ų138117.7 Ų117.765%0.64567%0.673SS**  trans-63.30.3177.1-64.6-177.733.200113.4A349 G353 M354A349-Q351 PolarHBondContact O-N 3.1Å; A349-Q351 VanDerWaalsContact O-N 3.14Å; Q351-G353 PolarHBondContact O-N 3.3Å; Q351-M354 PolarHBondContact O-N 3.18Å
352Q47.2Very low44.7Very low181 Ų181118.7 Ų118.785%0.84667%0.668SS**THydrogen-bonded Turntrans-63.9102.3179-156167.525.600109.5S350S350-Q352 PolarHBondContact O-N 2.78Å; S350-Q352 WeakPolarHBondContact OG-CB 2.93Å; S350-Q352 PolarHBondContact OG-N 3.17Å
353G46.8Very low44.9Very low74 Ų74115 Ų11576%0.76366%0.659SS**THydrogen-bonded Turntrans106.8-1.3176.400000116.1Q351Q351-G353 PolarHBondContact O-N 3.3Å
354M51.7Low44.4Very low141 Ų141115.7 Ų115.770%0.69567%0.665SS**SBendtrans-81.2-14.5-178.1-75.1-17470.500114.8Q351Q351-M354 PolarHBondContact O-N 3.18Å
355T49Very low44.5Very low73 Ų73121.5 Ų121.545%0.44867%0.671SS.*SBendtrans-127.9123.6168.742.90000108.5
356G43.1Very low44.3Very low53 Ų53122.3 Ų122.355%0.54668%0.682SS.*  trans-60.2145.3174.800000110.2G358 T359G356-G358 PolarHBondContact O-N 2.76Å; G356-T359 PolarHBondContact O-N 2.86Å; G356-T359 PolarHBondContact O-OG1 2.96Å
357F40Very low44.2Very low204 Ų204122 Ų12290%0.89569%0.685SS**THydrogen-bonded Turntrans-53.3123.3173.9-166.4-93.8000109.7
358G38.2Very low44.2Very low72 Ų72123.1 Ų123.174%0.74269%0.69SS**THydrogen-bonded Turntrans1010.6175.700000117.2G356G356-G358 PolarHBondContact O-N 2.76Å
359T39.1Very low44.1Very low84 Ų84117.8 Ų117.852%0.51569%0.688SS.*PPolyproline II helixtrans-88.8122.3173.658.40000111.6G356G356-T359 PolarHBondContact O-N 2.86Å; G356-T359 PolarHBondContact O-OG1 2.96Å
360P42.6Very low44.2Very low129 Ų129122.5 Ų122.584%0.83871%0.706SS**PPolyproline II helixtrans-58.1138170.9-19.230.7000110.8
361R42.5Very low44.5Very low168 Ų168128.2 Ų128.263%0.63472%0.724SS**PPolyproline II helixtrans-86.9123.3174.4-62.4-177-172.4-131.4-0.7108.4V363R361-V363 PolarHBondContact O-N 3.39Å
362D39.2Very low44.6Very low142 Ų142126.8 Ų126.876%0.75972%0.72SS**  trans-79.1101.7168.3-149.6-9.9000107.8N364D362-N364 VanDerWaalsContact C-N 3.32Å
363V47Very low45.4Very low119 Ų119122.3 Ų122.372%0.72171%0.706SS**  trans-91.5-1.4177.1-112.70000111.8R361 Y365R361-V363 PolarHBondContact O-N 3.39Å; V363-Y365 VanDerWaalsContact C-N 3.33Å; V363-Y365 PolarHBondContact O-N 2.87Å
364N35.9Very low46Very low130 Ų130124.6 Ų124.670%0.69570%0.701SS**  trans-79.788.7177.2-65-27.6000108.3D362 A366D362-N364 VanDerWaalsContact C-N 3.32Å; N364-A366 PolarHBondContact O-N 3.05Å
365Y43.5Very low46.6Very low176 Ų176125.6 Ų125.669%0.6970%0.704SS**  trans-62.976.2146.7-71-83000106.9V363 T367V363-Y365 VanDerWaalsContact C-N 3.33Å; V363-Y365 PolarHBondContact O-N 2.87Å; Y365-T367 PolarHBondContact O-N 3.32Å
366A41.4Very low47.1Very low84 Ų84125.5 Ų125.569%0.69470%0.703SS**  trans-6773.2160.900000106.2N364 E368N364-A366 PolarHBondContact O-N 3.05Å; A366-E368 VanDerWaalsContact C-N 3.29Å; A366-E368 PolarHBondContact O-N 3.26Å
367T46.1Very low47.8Very low117 Ų117125.3 Ų125.372%0.71869%0.691SS**  trans-64.7103.6163.4-48.70000103.6Y365 G369Y365-T367 PolarHBondContact O-N 3.32Å; T367-G369 PolarHBondContact O-N 3.09Å
368E45.6Very low48.6Very low184 Ų184121.7 Ų121.786%0.8668%0.675SS**THydrogen-bonded Turntrans-46.8107.9-179.1-62.5177.7161.900110.1A366 L370A366-E368 VanDerWaalsContact C-N 3.29Å; A366-E368 PolarHBondContact O-N 3.26Å; E368-L370 PolarHBondContact O-N 3.13Å
369G43Very low49.5Very low76 Ų76123.4 Ų123.478%0.78467%0.667SS**THydrogen-bonded Turntrans80.218.714400000120.3T367T367-G369 PolarHBondContact O-N 3.09Å
370L49.6Very low49.8Very low149 Ų149122.8 Ų122.878%0.7867%0.666SS**  trans-124.7100.3166.5-88.688.5000111E368 L372E368-L370 PolarHBondContact O-N 3.13Å; L370-L372 PolarHBondContact O-N 3.44Å; L370-L372 VanDerWaalsContact O-N 3.07Å
371E51.6Low50.1Low199 Ų199123.6 Ų123.693%0.9366%0.659SS**  trans-61.9107.2161.8-72.7179.1165.600107.9
372L52.7Low50.5Low107 Ų107121 Ų12156%0.5666%0.662SS**  trans-70.4137.6171.5-80.7156.3000108.5L370 V376 T377L370-L372 PolarHBondContact O-N 3.44Å; L370-L372 VanDerWaalsContact O-N 3.07Å; L372-V376 HydrophobicContact CD2-CG1 4.29Å; L372-T377 HydrophobicContact CB-CG2 4Å
373P65Low50.8Low87 Ų87119.9 Ų119.957%0.56566%0.655SS**  trans-53.5142.6175.5-24.532.5000112E375 V376 T377P373-E375 PolarHBondContact O-N 3.26Å; P373-V376 PolarHBondContact O-N 3.34Å; P373-T377 PolarHBondContact O-N 2.91Å
374D59.2Low50.6Low122 Ų122120.2 Ų120.265%0.65265%0.651SS**Hα-helixtrans-52.7-29.3-176.1-77.2-11.9000114.5V376 T377 K378D374-V376 VanDerWaalsContact C-N 3.32Å; D374-V376 PolarHBondContact O-N 2.71Å; D374-T377 VanDerWaalsContact CA-OG1 3.29Å; D374-T377 WeakPolarHBondContact CA-OG1 3.44Å; D374-T377 PolarHBondContact O-OG1 3.24Å; D374-K378 VanDerWaalsContact O-CG 3.31Å; D374-K378 WeakPolarHBondContact O-CG 3.15Å; D374-K378 PolarHBondContact O-N 2.93Å; D374-K378 VanDerWaalsContact O-N 3.13Å
375E63.3Low51Low162 Ų162117.2 Ų117.276%0.75764%0.639SS**Hα-helixtrans-68.3-32.4176.9-64.1-168.7176.900112.2P373 L379P373-E375 PolarHBondContact O-N 3.26Å; E375-L379 WeakPolarHBondContact O-CG 3.39Å
376V61.1Low50.9Low71 Ų71114.9 Ų114.943%0.4365%0.648SS.*Hα-helixtrans-81.8-33.4179.3-171.90000111.1L372 P373 D374 L379L372-V376 HydrophobicContact CD2-CG1 4.29Å; P373-V376 PolarHBondContact O-N 3.34Å; D374-V376 VanDerWaalsContact C-N 3.32Å; D374-V376 PolarHBondContact O-N 2.71Å; V376-L379 WeakPolarHBondContact O-CB 3.35Å; V376-L379 PolarHBondContact O-N 3.39Å
377T57Low51Low49 Ų49117.8 Ų117.830%0.30165%0.647SS.*Hα-helixtrans-67.2-39.2174.657.30000111.2L372 P373 D374 L379 S380 E381L372-T377 HydrophobicContact CB-CG2 4Å; P373-T377 PolarHBondContact O-N 2.91Å; D374-T377 VanDerWaalsContact CA-OG1 3.29Å; D374-T377 WeakPolarHBondContact CA-OG1 3.44Å; D374-T377 PolarHBondContact O-OG1 3.24Å; T377-L379 PolarHBondContact O-N 3.29Å; T377-S380 PolarHBondContact O-N 2.7Å; T377-S380 PolarHBondContact O-OG 2.79Å; T377-E381 PolarHBondContact O-N 2.83Å
378K57.7Low50.9Low128 Ų128114.3 Ų114.356%0.55763%0.631SS**Hα-helixtrans-61.9-29.6173.7-74.6174.9-177.8175.60113.8D374 S380 E381D374-K378 VanDerWaalsContact O-CG 3.31Å; D374-K378 WeakPolarHBondContact O-CG 3.15Å; D374-K378 PolarHBondContact O-N 2.93Å; D374-K378 VanDerWaalsContact O-N 3.13Å; K378-S380 VanDerWaalsContact C-N 3.29Å; K378-S380 PolarHBondContact O-N 3.32Å; K378-E381 PolarHBondContact O-N 2.95Å
379L55.7Low50.7Low108 Ų108107.3 Ų107.357%0.56561%0.607SS**Hα-helixtrans-65.7-33.5174.9-68.8170.4000111.7E375 V376 T377 T382 I383E375-L379 WeakPolarHBondContact O-CG 3.39Å; V376-L379 WeakPolarHBondContact O-CB 3.35Å; V376-L379 PolarHBondContact O-N 3.39Å; T377-L379 PolarHBondContact O-N 3.29Å; L379-T382 PolarHBondContact O-OG1 3.04Å; L379-I383 WeakPolarHBondContact O-CG1 3.46Å; L379-I383 PolarHBondContact O-N 2.98Å
380S46.7Very low50.4Low71 Ų71112.7 Ų112.750%0.49760%0.604SS.*Hα-helixtrans-78.6-19.3176.171.30000113.2T377 K378 I383T377-S380 PolarHBondContact O-N 2.7Å; T377-S380 PolarHBondContact O-OG 2.79Å; K378-S380 VanDerWaalsContact C-N 3.29Å; K378-S380 PolarHBondContact O-N 3.32Å; S380-I383 CarbonylContact O-C 3.3Å; S380-I383 VanDerWaalsContact O-C 3.3Å; S380-I383 PolarHBondContact O-N 3.37Å
381E48.4Very low50.4Low146 Ų146112 Ų11268%0.68260%0.602SS**Hα-helixtrans-68.2-35.5172.9-66.2-178.6174.300112.2T377 K378T377-E381 PolarHBondContact O-N 2.83Å; K378-E381 PolarHBondContact O-N 2.95Å
382T51.5Low50Low114 Ų114111.6 Ų111.670%0.69960%0.596SS**Hα-helixtrans-76.4-30.8174.653.20000112.5L379 I384L379-T382 PolarHBondContact O-OG1 3.04Å; T382-I384 PolarHBondContact O-N 3.02Å
383I45.2Very low49.7Very low119 Ų119108.8 Ų108.861%0.6159%0.594SS**SBendtrans-90.382.5174.5-56.3169.4000107.3L379 S380 P385L379-I383 WeakPolarHBondContact O-CG1 3.46Å; L379-I383 PolarHBondContact O-N 2.98Å; S380-I383 CarbonylContact O-C 3.3Å; S380-I383 VanDerWaalsContact O-C 3.3Å; S380-I383 PolarHBondContact O-N 3.37Å; I383-P385 WeakPolarHBondContact O-CD 3.09Å
384I43.1Very low48.6Very low126 Ų126108 Ų10865%0.64659%0.594SS**  trans-47.2106.8169.7-59.9-178.7000106.7T382 S386 A388T382-I384 PolarHBondContact O-N 3.02Å; I384-S386 PolarHBondContact O-N 3.05Å; I384-A388 HydrophobicContact CG2-CB 3.83Å
385P42.7Very low48.1Very low67 Ų67106.2 Ų106.244%0.43559%0.592SS.*  trans-59.6135.4-176.720.6-28.5000105.2I383 Q387 A388I383-P385 WeakPolarHBondContact O-CD 3.09Å; P385-Q387 CarbonylContact O-C 3.6Å; P385-Q387 PolarHBondContact O-N 2.92Å; P385-A388 HydrophobicContact CG-CB 3.95Å; P385-A388 WeakPolarHBondContact O-CA 3.42Å; P385-A388 WeakPolarHBondContact O-CB 3.46Å; P385-A388 PolarHBondContact O-N 3.25Å
386S43.4Very low47.6Very low126 Ų126104.7 Ų104.788%0.88159%0.585SS**THydrogen-bonded Turntrans-57.2-9.5177.942.90000113.2I384I384-S386 PolarHBondContact O-N 3.05Å
387Q42.9Very low47.2Very low145 Ų145109.6 Ų109.668%0.67860%0.6SS**THydrogen-bonded Turntrans-78.1-29.9168-66.5-172.6-44.900114.5P385 G389P385-Q387 CarbonylContact O-C 3.6Å; P385-Q387 PolarHBondContact O-N 2.92Å; Q387-G389 VanDerWaalsContact C-N 3.26Å; Q387-G389 PolarHBondContact O-N 3.48Å
388A44.6Very low47Very low45 Ų45110.4 Ų110.437%0.37262%0.618SS.*SBendtrans-6994.5161.300000106.1I384 P385 W390I384-A388 HydrophobicContact CG2-CB 3.83Å; P385-A388 HydrophobicContact CG-CB 3.95Å; P385-A388 WeakPolarHBondContact O-CA 3.42Å; P385-A388 WeakPolarHBondContact O-CB 3.46Å; P385-A388 PolarHBondContact O-N 3.25Å; A388-W390 PolarHBondContact O-N 3.3Å
389G40.9Very low47Very low36 Ų36111.1 Ų111.137%0.37163%0.625SS.*  trans-42136.8-171.900000111.9Q387 N391Q387-G389 VanDerWaalsContact C-N 3.26Å; Q387-G389 PolarHBondContact O-N 3.48Å; G389-N391 PolarHBondContact O-N 3.21Å; G389-N391 PolarHBondContact O-OD1 3.16Å
390W36.8Very low46.9Very low189 Ų189108.6 Ų108.672%0.71661%0.614SS**  trans-60.498.4175.9178.574.2000109.9A388 K392 G393A388-W390 PolarHBondContact O-N 3.3Å; W390-K392 HydrophobicContact CD2-CB 4.14Å; W390-K392 HydrophobicContact CH2-CB 4.14Å; W390-K392 HydrophobicContact CZ2-CB 3.62Å; W390-K392 PolarHBondContact O-N 3.48Å; W390-K392 VanDerWaalsContact O-N 3.13Å; W390-G393 VanDerWaalsContact CE3-N 3.3Å; W390-G393 VanDerWaalsContact CZ3-N 3.32Å; W390-G393 PolarHBondContact O-N 2.96Å
391N48Very low46.8Very low136 Ų136106.8 Ų106.873%0.72761%0.607SS**THydrogen-bonded Turntrans-67.2-15-171.4-61.7-31.3000113.7G389 G393 A394G389-N391 PolarHBondContact O-N 3.21Å; G389-N391 PolarHBondContact O-OD1 3.16Å; N391-G393 PolarHBondContact O-N 2.99Å; N391-A394 PolarHBondContact O-N 2.89Å
392K43.3Very low46.8Very low189 Ų189109.2 Ų109.282%0.82262%0.615SS**THydrogen-bonded Turntrans-70-21.3178.1-73.7-175.9178.9179.80113W390W390-K392 HydrophobicContact CD2-CB 4.14Å; W390-K392 HydrophobicContact CH2-CB 4.14Å; W390-K392 HydrophobicContact CZ2-CB 3.62Å; W390-K392 PolarHBondContact O-N 3.48Å; W390-K392 VanDerWaalsContact O-N 3.13Å
393G47Very low46.6Very low49 Ų49107.2 Ų107.251%0.50562%0.618SS.*THydrogen-bonded Turntrans-105.2-10.5174.200000114.4W390 N391 S395W390-G393 VanDerWaalsContact CE3-N 3.3Å; W390-G393 VanDerWaalsContact CZ3-N 3.32Å; W390-G393 PolarHBondContact O-N 2.96Å; N391-G393 PolarHBondContact O-N 2.99Å; G393-S395 PolarHBondContact O-N 2.82Å
394A43Very low46.8Very low70 Ų70104.2 Ų104.258%0.57961%0.611SS**  trans-76.291.9-176.800000110.1N391N391-A394 PolarHBondContact O-N 2.89Å
395S47Very low47.2Very low85 Ų85105 Ų10559%0.59462%0.621SS**  trans-76.5122.4169.6-1720000109.2G393 K397G393-S395 PolarHBondContact O-N 2.82Å; S395-K397 PolarHBondContact O-N 3.37Å; S395-K397 WeakPolarHBondContact OG-CB 3.28Å; S395-K397 PolarHBondContact OG-N 3.12Å
396Q52.7Low47.7Very low130 Ų130108.9 Ų108.961%0.60763%0.627SS**  trans-64.44.3169.6-161.1-17717.700112.9G398 M399Q396-G398 PolarHBondContact O-N 3.15Å; Q396-M399 HydrophobicContact CB-SD 4.46Å; Q396-M399 HydrophobicContact CG-CB 3.93Å; Q396-M399 HydrophobicContact CG-CG 4.33Å; Q396-M399 HydrophobicContact CG-SD 4.02Å; Q396-M399 PolarHBondContact O-N 3.26Å
397K53Low48.2Very low174 Ų174106.2 Ų106.276%0.75760%0.603SS**THydrogen-bonded Turntrans-55.5108.4177.8-175.9177.7-176.4-179.10110.3S395S395-K397 PolarHBondContact O-N 3.37Å; S395-K397 WeakPolarHBondContact OG-CB 3.28Å; S395-K397 PolarHBondContact OG-N 3.12Å
398G53.5Low48.7Very low65 Ų65105.1 Ų105.167%0.6761%0.606SS**THydrogen-bonded Turntrans95.82.4177.200000115.5Q396Q396-G398 PolarHBondContact O-N 3.15Å
399M56.7Low49Very low144 Ų144111.4 Ų111.471%0.70963%0.625SS**  trans-82.7-20.1179.8-66.7-17869.100114.1Q396Q396-M399 HydrophobicContact CB-SD 4.46Å; Q396-M399 HydrophobicContact CG-CB 3.93Å; Q396-M399 HydrophobicContact CG-CG 4.33Å; Q396-M399 HydrophobicContact CG-SD 4.02Å; Q396-M399 PolarHBondContact O-N 3.26Å
400T54Low49.3Very low54 Ų54110.5 Ų110.533%0.33162%0.615SS.*SBendtrans-84.5131.1171.453.20000109.9
401G45.7Very low49.9Very low34 Ų34108.3 Ų108.335%0.35161%0.611SS.*PPolyproline II helixtrans-52.5147.9173.600000112.2G403 A404G401-G403 PolarHBondContact O-N 2.66Å; G401-A404 VanDerWaalsContact O-CB 3.31Å; G401-A404 WeakPolarHBondContact O-CB 3.05Å; G401-A404 PolarHBondContact O-N 3.46Å
402F47.9Very low50Low196 Ų196106.9 Ų106.986%0.8660%0.6SS**THydrogen-bonded Turntrans-52.4125.5176.9-177.1-95.6000110.5A404F402-A404 VanDerWaalsContact C-N 3.34Å; F402-A404 PolarHBondContact O-N 3.03Å
403G46.1Very low50.3Low73 Ų73101.8 Ų101.875%0.75358%0.581SS**THydrogen-bonded Turntrans84.3-5.3-179.100000116G401 V405G401-G403 PolarHBondContact O-N 2.66Å; G403-V405 PolarHBondContact O-N 3.38Å
404A50.2Low50.4Low56 Ų56105.7 Ų105.746%0.46358%0.584SS.*PPolyproline II helixtrans-67.2124.4172.300000110.2G401 F402 R406G401-A404 VanDerWaalsContact O-CB 3.31Å; G401-A404 WeakPolarHBondContact O-CB 3.05Å; G401-A404 PolarHBondContact O-N 3.46Å; F402-A404 VanDerWaalsContact C-N 3.34Å; F402-A404 PolarHBondContact O-N 3.03Å; A404-R406 PolarHBondContact O-N 3.34Å
405V52.6Low50.7Low143 Ų143109.9 Ų109.987%0.86759%0.585SS**PPolyproline II helixtrans-66.5121.6178.3-150.50000108.2G403 D407G403-V405 PolarHBondContact O-N 3.38Å; V405-D407 PolarHBondContact O-N 3.07Å
406R52.6Low50.8Low148 Ų148109.2 Ų109.256%0.55857%0.574SS**PPolyproline II helixtrans-73.2125.5170.3-65.7-177.5-171176.35107.7A404 V408A404-R406 PolarHBondContact O-N 3.34Å; R406-V408 HydrophobicContact CB-CG2 4.19Å; R406-V408 PolarHBondContact O-N 2.76Å
407D52.7Low50.5Low70 Ų70110.2 Ų110.237%0.37457%0.573SS.*  trans-7484.8171.4-172.414.4000109.7V405 K409 G410 K411 H412V405-D407 PolarHBondContact O-N 3.07Å; D407-K409 VanDerWaalsContact C-N 3.27Å; D407-K409 PolarHBondContact OD1-N 3.12Å; D407-G410 PolarHBondContact OD1-N 3.22Å; D407-G410 VanDerWaalsContact OD1-N 3.09Å; D407-G410 VanDerWaalsContact OD2-C 3.3Å; D407-K411 PolarHBondContact OD1-N 3.25Å; D407-K411 VanDerWaalsContact OD1-N 3.15Å; D407-K411 PolarHBondContact OD2-N 3.34Å; D407-H412 VanDerWaalsContact OD2-CB 3.28Å; D407-H412 WeakPolarHBondContact OD2-CB 3.09Å; D407-H412 PolarHBondContact OD2-N 3.04Å
408V53.7Low50.5Low122 Ų122107.1 Ų107.174%0.73956%0.561SS**THydrogen-bonded Turntrans-75.3-22.9175.8-174.30000110.7R406R406-V408 HydrophobicContact CB-CG2 4.19Å; R406-V408 PolarHBondContact O-N 2.76Å
409K51.2Low50.5Low176 Ų176111.3 Ų111.377%0.76556%0.563SS**THydrogen-bonded Turntrans-93.23.7-175.1-68.2-167.7179.1-171.40113.5D407 K411D407-K409 VanDerWaalsContact C-N 3.27Å; D407-K409 PolarHBondContact OD1-N 3.12Å; K409-K411 HydrophobicContact CB-CG 4.23Å; K409-K411 PolarHBondContact O-N 3.11Å; K409-K411 VanDerWaalsContact O-N 3.11Å
410G47.9Very low50.4Low17 Ų17109.9 Ų109.918%0.17556%0.558CS.*  trans58.423.618000000113.9D407 H412 L413 K414D407-G410 PolarHBondContact OD1-N 3.22Å; D407-G410 VanDerWaalsContact OD1-N 3.09Å; D407-G410 VanDerWaalsContact OD2-C 3.3Å; G410-H412 PolarHBondContact O-N 3.2Å; G410-L413 WeakPolarHBondContact O-CB 3.46Å; G410-L413 PolarHBondContact O-N 3.05Å; G410-K414 PolarHBondContact O-N 2.77Å
411K49.5Very low50.2Low144 Ų144113.8 Ų113.863%0.62657%0.568SS**Hα-helixtrans-61.6-33.3-179.4-74.2-170.3174.6-169.30111.9D407 K409 R415D407-K411 PolarHBondContact OD1-N 3.25Å; D407-K411 VanDerWaalsContact OD1-N 3.15Å; D407-K411 PolarHBondContact OD2-N 3.34Å; K409-K411 HydrophobicContact CB-CG 4.23Å; K409-K411 PolarHBondContact O-N 3.11Å; K409-K411 VanDerWaalsContact O-N 3.11Å; K411-R415 PolarHBondContact O-N 2.88Å; K411-R415 VanDerWaalsContact O-N 3.11Å
412H50.4Low50.4Low106 Ų106115.9 Ų115.949%0.49158%0.575SS.*Hα-helixtrans-67.7-40.4174.2177.941000111.5D407 G410 R415 L416D407-H412 VanDerWaalsContact OD2-CB 3.28Å; D407-H412 WeakPolarHBondContact OD2-CB 3.09Å; D407-H412 PolarHBondContact OD2-N 3.04Å; G410-H412 PolarHBondContact O-N 3.2Å; H412-R415 PolarHBondContact O-N 3.34Å; H412-L416 PolarHBondContact O-N 3.34Å; H412-L416 VanDerWaalsContact O-N 3.15Å
413L49.4Very low50.7Low81 Ų81115.6 Ų115.642%0.42458%0.576SS.*Hα-helixtrans-64.6-43.7173.9-116.776.4000111.1G410 R415 L416 W417G410-L413 WeakPolarHBondContact O-CB 3.46Å; G410-L413 PolarHBondContact O-N 3.05Å; L413-R415 VanDerWaalsContact C-N 3.25Å; L413-R415 PolarHBondContact O-N 2.8Å; L413-L416 PolarHBondContact O-N 3.21Å; L413-L416 VanDerWaalsContact O-N 3.17Å; L413-W417 PolarHBondContact O-N 2.93Å
414K47.7Very low50.9Low131 Ų131117.6 Ų117.657%0.5757%0.566SS**Hα-helixtrans-58.4-39.9177.2-157.8-173.7-171.8-111.70111.7G410 W417 E418G410-K414 PolarHBondContact O-N 2.77Å; K414-W417 PolarHBondContact O-N 3.05Å; K414-E418 WeakPolarHBondContact CE-OE1 3.45Å; K414-E418 IonicContact NZ-OE1 2.7Å; K414-E418 PolarHBondContact NZ-OE1 3.14Å; K414-E418 WeakPolarHBondContact O-CG 3.36Å; K414-E418 PolarHBondContact O-N 3.41Å
415R49.2Very low50.6Low158 Ų158122.5 Ų122.560%0.59658%0.58SS**Hα-helixtrans-65.6-40.6177.6-160.3-175.7-61.7141.8-0.1112.6K411 H412 L413 W417 E418 E419K411-R415 PolarHBondContact O-N 2.88Å; K411-R415 VanDerWaalsContact O-N 3.11Å; H412-R415 PolarHBondContact O-N 3.34Å; L413-R415 VanDerWaalsContact C-N 3.25Å; L413-R415 PolarHBondContact O-N 2.8Å; R415-W417 VanDerWaalsContact C-N 3.34Å; R415-E418 PolarHBondContact O-N 3.21Å; R415-E419 WeakPolarHBondContact O-CB 3.3Å; R415-E419 PolarHBondContact O-N 2.94Å; R415-E419 VanDerWaalsContact O-N 3.15Å
416L49.5Very low50Low71 Ų71123.5 Ų123.537%0.37257%0.574SS.*Hα-helixtrans-64.3-40.5174-76.8161.4000111.5H412 L413 E419 D420H412-L416 PolarHBondContact O-N 3.34Å; H412-L416 VanDerWaalsContact O-N 3.15Å; L413-L416 PolarHBondContact O-N 3.21Å; L413-L416 VanDerWaalsContact O-N 3.17Å; L416-E419 PolarHBondContact O-N 2.75Å; L416-D420 PolarHBondContact O-N 3.41Å; L416-D420 VanDerWaalsContact O-N 3.08Å
417W46.4Very low49.6Very low151 Ų151125.2 Ų125.257%0.57259%0.587SS**Hα-helixtrans-66.2-40177.4-84.864000112.9L413 K414 R415 E419 Y421L413-W417 PolarHBondContact O-N 2.93Å; K414-W417 PolarHBondContact O-N 3.05Å; R415-W417 VanDerWaalsContact C-N 3.34Å; W417-E419 VanDerWaalsContact C-N 3.29Å; W417-E419 PolarHBondContact O-N 3.08Å; W417-Y421 PolarHBondContact O-N 2.88Å
418E52.9Low48.8Very low110 Ų110133.7 Ų133.751%0.51463%0.631SS.*Hα-helixtrans-67.7-28.9176-74.6169.9-177.500112.3K414 R415K414-E418 WeakPolarHBondContact CE-OE1 3.45Å; K414-E418 IonicContact NZ-OE1 2.7Å; K414-E418 PolarHBondContact NZ-OE1 3.14Å; K414-E418 WeakPolarHBondContact O-CG 3.36Å; K414-E418 PolarHBondContact O-N 3.41Å; R415-E418 PolarHBondContact O-N 3.21Å
419E54Low48.5Very low152 Ų152134.3 Ų134.371%0.7163%0.625SS**Hα-helixtrans-80.7-36-179.6-153.4164.2-147.500111.9R415 L416 W417R415-E419 WeakPolarHBondContact O-CB 3.3Å; R415-E419 PolarHBondContact O-N 2.94Å; R415-E419 VanDerWaalsContact O-N 3.15Å; L416-E419 PolarHBondContact O-N 2.75Å; W417-E419 VanDerWaalsContact C-N 3.29Å; W417-E419 PolarHBondContact O-N 3.08Å
420D55.3Low48.4Very low114 Ų114132.1 Ų132.161%0.6162%0.618SS**Hα-helixtrans-87.7-22.6179.9-70.9-25.2000113.7L416L416-D420 PolarHBondContact O-N 3.41Å; L416-D420 VanDerWaalsContact O-N 3.08Å
421Y49Very low48.4Very low137 Ų137138.5 Ų138.554%0.53764%0.642SS.*  trans-135.269.9-176.7-57.5-85.5000112.6W417 E423 E424W417-Y421 PolarHBondContact O-N 2.88Å; Y421-E423 PolarHBondContact O-N 3.18Å; Y421-E424 PolarHBondContact O-N 2.99Å
422P50.8Low48.3Very low78 Ų78138.2 Ų138.251%0.50664%0.643SS.*THydrogen-bonded Turntrans-65.5-18.6178.926.4-34.5000113.5E424 E425P422-E424 VanDerWaalsContact C-N 3.29Å; P422-E424 PolarHBondContact O-N 3.03Å; P422-E425 WeakPolarHBondContact O-CG 3.06Å
423E53.1Low48.2Very low189 Ų189140.2 Ų140.288%0.88365%0.653SS**THydrogen-bonded Turntrans-79.7-8.4-179.8-59.4-161.5-169.700113.8Y421 E425Y421-E423 PolarHBondContact O-N 3.18Å; E423-E425 PolarHBondContact O-N 3.2Å
424E50.8Low48.1Very low116 Ų116144.1 Ų144.154%0.54267%0.668SS.*  trans-90.140.5172-63.4-161.7173.900112Y421 P422 H426Y421-E424 PolarHBondContact O-N 2.99Å; P422-E424 VanDerWaalsContact C-N 3.29Å; P422-E424 PolarHBondContact O-N 3.03Å; E424-H426 PolarHBondContact O-N 2.92Å
425E43Very low48.1Very low159 Ų159145.1 Ų145.174%0.74368%0.675SS**  trans-73.63.4-179.6-97.4-174.7-17800114.9P422 E423P422-E425 WeakPolarHBondContact O-CG 3.06Å; E423-E425 PolarHBondContact O-N 3.2Å
426H41.5Very low48.1Very low163 Ų163144.1 Ų144.176%0.75568%0.681SS**  trans-125.975.3-172.6-68.4-52.5000114.1E424E424-H426 PolarHBondContact O-N 2.92Å
427F43.9Very low47.9Very low185 Ų185150.2 Ų150.281%0.81171%0.707SS**  trans-136.982.9157.9-70.6-75.2000111.6
428L34.6Very low48.1Very low248 Ų248150.1 Ų150.1100%1.29872%0.719SS**  trans-111.90152-106.4164.1000108.4

Retrieved 428 of 428 residues in 233.4 ms (Link to these results)