A0A087WV86_HUMAN Loading...

Protein aurora borealis

AlphaFold DB , UniProt , Accession A0A087WV86, Species HUMAN (Homo sapiens, Human), Gene BORA, Length 634 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.5Very low40.8Very low240 Ų240166.2 Ų166.2100%1.18285%0.848SS**  096.60171.617817600106.3
2E34.4Very low41.3Very low187 Ų187162.9 Ų162.987%0.87485%0.846SS**  trans-158.7148-175-118.4158.1-167.400110.8
3R42.2Very low40.8Very low228 Ų228157.8 Ų157.886%0.8684%0.842SS**  trans-162.2118.4-179.4-88.1-173.4172.5-175.5-1.7110.1
4F38.6Very low40.1Very low197 Ų197163.2 Ų163.286%0.86485%0.845SS**  trans-151.3135.3154.9-68.8-77.1000106.4
5L45.8Very low39.5Very low132 Ų132159 Ų15969%0.69184%0.835SS**  cis103.192.223.8-73.5170.4000114.5
6F36.8Very low40.7Very low190 Ų190155.8 Ų155.883%0.83383%0.827SS**  trans64.4175.5150.6-74.9-64000117.4
7P53.1Low40.1Very low122 Ų122155.8 Ų155.879%0.79283%0.826SS**  cis-130.8-1667.643.9-26.7000116
8A36Very low39.7Very low91 Ų91153.2 Ų153.275%0.75282%0.817SS**  trans-133.9152.9171.200000111.4
9P51.5Low39.3Very low118 Ų118153.3 Ų153.377%0.76682%0.817SS**  trans-128.8177.316841.1-28.8000112.4
10D32.1Very low38.9Very low157 Ų157148.9 Ų148.984%0.8481%0.81SS**  cis-161.4169.7-39.1-113.9-42.1000108.9
11L34.3Very low38.6Very low166 Ų166147.6 Ų147.687%0.86981%0.812SS**  trans-126.4143.2174.8-77.8175.5000113.3
12P46.7Very low38.2Very low127 Ų127140.3 Ų140.383%0.82579%0.785SS**  trans-121.1172.4157.336.6-24.9000113.6
13A34.7Very low38.1Very low96 Ų96140.8 Ų140.879%0.79379%0.787SS**  trans-147-178.4-166.600000115
14R30.7Very low37.6Very low234 Ų234132.9 Ų132.988%0.88378%0.777SS**  trans87.5102.1167.1-71.5-179.3154.1-179.7-6.2121
15S31.3Very low37.2Very low100 Ų100131 Ų13170%0.69978%0.781SS**  30.8161.6102.4700000122.1
16P58.5Low36.4Very low108 Ų108127.8 Ų127.870%0.70178%0.779SS**  cis-140.8-146.7-33.738.6-16.6000112.3
17L30.7Very low36.3Very low156 Ų156125 Ų12582%0.81778%0.777SS**  trans89.4150.3169.6-58.4169.8000117.5
18V33.6Very low35.2Very low108 Ų108127.1 Ų127.166%0.65578%0.777SS**  cis-168.4166.6-28.3740000110.7
19N30.9Very low35Very low155 Ų155128.8 Ų128.883%0.82977%0.769SS**  trans69.5150.2171.9-64.4-19.9000117.9
20G31.6Very low34.1Very low66 Ų66133.6 Ų133.668%0.6877%0.772SS**  cis157.9160.4-10.800000114.5
21S33.4Very low34Very low121 Ų121129.7 Ų129.785%0.84677%0.769SS**  trans67.1158.2173.4-86.40000118.4
22S34.7Very low34.3Very low87 Ų87128.4 Ų128.461%0.60877%0.768SS**  cis-173.6142-24.2-98.90000111.2
23Q33.3Very low33.6Very low198 Ų198134.3 Ų134.393%0.92577%0.774SS**  trans62.1159.9157.8-59.6169.77.800117.1
24G31Very low33.9Very low62 Ų62139.8 Ų139.864%0.63978%0.78SS**  cis-160.4150.9-7.300000110.2
25V31Very low34.1Very low158 Ų158134.7 Ų134.796%0.95878%0.78SS**  81.1123.693.1175.30000115.3
26G29.4Very low34.1Very low63 Ų63133.3 Ų133.365%0.64978%0.781SS**  trans122.2105.2173.900000112.7
27V33.1Very low32.9Very low131 Ų131136.8 Ų136.879%0.79479%0.788SS**  69.2105.163.3-1770000111.1
28E31.8Very low32.9Very low168 Ų168135.1 Ų135.179%0.78578%0.784SS**  61.5142.886.7-101.8-171.213600114.3
29E30.6Very low32.7Very low126 Ų126132.8 Ų132.859%0.58978%0.782SS**  cis-153.7-144.211.3-155.1-147166.100112.7
30R33.3Very low32.8Very low219 Ų219134.1 Ų134.183%0.82679%0.788SS**  trans-66.3170.8-179.6-80177.7-88.7-145.6-10.2113.7
31G29.6Very low32.5Very low75 Ų75134.7 Ų134.777%0.77379%0.794SS**  cis174.6-159.95.800000113.9
32T40.2Very low32.2Very low139 Ų139134 Ų13485%0.85380%0.795SS**  trans-84.9162-167.257.40000116.5
33R32.8Very low32Very low251 Ų251136.2 Ų136.295%0.94781%0.806SS**  trans-168.4161.4133.3-108.1165.6-166-153.32.5115.8
34K40.1Very low32.3Very low210 Ų210132.5 Ų132.591%0.91380%0.798SS**  trans-114155.5174-74.1-178175.4179.70111.6
35S35.1Very low32.9Very low128 Ų128135.1 Ų135.190%0.89580%0.804SS**  trans-172.2155.1149.8-166.50000106.8
36G31.8Very low33Very low70 Ų70132.4 Ų132.472%0.72279%0.792SS**  cis165.5179.45.700000107
37H32.1Very low33Very low182 Ų182138.9 Ų138.984%0.84381%0.805SS**  cis-173.5177.4-9.6-176.140.2000108.6
38V31Very low32.8Very low121 Ų121137.8 Ų137.873%0.73380%0.803SS**  trans70.9139.9169.3-162.80000117.2
39G30.8Very low32.8Very low59 Ų59138.3 Ų138.361%0.60881%0.81SS**  cis151.3154.2-12.200000115.3
40L31.2Very low32.7Very low182 Ų182141.3 Ų141.395%0.95382%0.824SS**  trans69.4149.5169.8-44174.5000117.2
41G25.8Very low32.5Very low78 Ų78134 Ų13480%0.80482%0.816SS**  cis139.3101.6-1700000116.4
42A27.5Very low32.6Very low107 Ų107136.1 Ų136.188%0.88482%0.819SS**  trans-170.5157.3165.100000115.7
43T31.5Very low32Very low134 Ų134140.1 Ų140.182%0.82282%0.819SS**  trans-84.5176.117042.80000112
44P38.9Very low31.9Very low119 Ų119136.6 Ų136.677%0.77382%0.818SS**  cis-144.4-125.639.132-1.7000117.5
45P42.8Very low31.5Very low117 Ų117134 Ų13476%0.7681%0.808SS**  -123.9-172.1-97.639.9-22.8000117.4
46S33Very low31.2Very low102 Ų102135 Ų13571%0.71380%0.803SS**  trans-76.4154.5-17956.90000117.4
47H30.4Very low31.2Very low199 Ų199138.3 Ų138.392%0.92180%0.804SS**  trans-157.1165.5151.9-101.1-71.7000112.7
48S28.9Very low31.2Very low107 Ų107136.2 Ų136.275%0.74880%0.798SS**  trans-132.6153.2-178.259.20000112.9
49I30.5Very low31.8Very low180 Ų180136 Ų13692%0.92380%0.8SS**  trans-141.8161.4168.8-69-168.9000110.1
50Q30.2Very low32Very low188 Ų188140.7 Ų140.788%0.87981%0.806SS**  trans-139.9142.9-159.6174-171.75.900112.7
51G27.8Very low32.1Very low65 Ų65137.6 Ų137.667%0.6779%0.794SS**  trans87.1170.7163.600000117.1
52S31.7Very low32.4Very low120 Ų120140.6 Ų140.684%0.83979%0.792SS**  cis-165.7135.9-7.8-92.30000113.4
53R28.4Very low32.5Very low224 Ų224139.4 Ų139.485%0.84578%0.777SS**  trans36.3124135.7-173.1-168.1-168.2-175.45.9121.2
54L31.3Very low32.4Very low177 Ų177142.4 Ų142.493%0.92778%0.779SS**  trans-141.9174.6136.6-84.5-169.2000111.5
55H31.3Very low33.4Very low154 Ų154141.9 Ų141.971%0.71378%0.776SS**  trans-153.9-176.4-160.5-151.4-98.2000111.4
56L29.2Very low34.1Very low149 Ų149141.2 Ų141.278%0.7877%0.771SS**  trans92.2146.1171.2-54.3171.4000116.8
57N30.1Very low34.1Very low141 Ų141145 Ų14575%0.75478%0.777SS**  cis-163178.4-34.7-127.96.1000113.2
58L32.3Very low35.6Very low137 Ų137141.1 Ų141.172%0.71777%0.77SS**  trans-73.4171.8-176-132.469.3000115.7E60L58-E60 HydrophobicContact CD2-CB 4.13Å
59P44.9Very low35.8Very low117 Ų117141 Ų14176%0.7678%0.775SS**  -130.916368.127.1-6.5000114.4
60E33.8Very low36Very low158 Ų158140.9 Ų140.974%0.73877%0.768SS**  cis85.9124.835.8-151.4169-177.900113.7L58L58-E60 HydrophobicContact CD2-CB 4.13Å
61V33.2Very low36Very low116 Ų116141.7 Ų141.770%0.70377%0.769SS**  179.8139.593.7151.80000112.8
62D31.9Very low36.2Very low142 Ų142143.9 Ų143.976%0.75977%0.774SS**  trans43.1161.2152.2-75.4-42.2000125.3
63S30.6Very low36.7Very low82 Ų82146 Ų14657%0.57378%0.775SS**  cis-171.4131.8-32.2-106.80000114.8
64F28.7Very low36.8Very low196 Ų196141.5 Ų141.586%0.8678%0.777SS**  trans64.1164143.9-77-61.2000123.7
65P59.8Low36.9Very low109 Ų109137.6 Ų137.671%0.70877%0.769SS**  trans-127.3-138.4-14633.5-5.2000111.8
66P57.7Low37Very low102 Ų102139.7 Ų139.766%0.66278%0.782SS**  cis-143.9-160-6.342.6-19.3000117.5
67H33.9Very low37.1Very low181 Ų181135.5 Ų135.584%0.83878%0.775SS**  trans97.5155.1156.5-76.5-39.7000122.1
68P62.2Low37.8Very low118 Ų118136.3 Ų136.377%0.76678%0.779SS**  trans-122.2173.7-158.543.7-30.9000116.5
69A32.8Very low38Very low104 Ų104135.8 Ų135.886%0.8678%0.781SS**  trans-137.3170.4171.100000113
70K33.8Very low37.9Very low179 Ų179138.9 Ų138.978%0.77878%0.783SS**  trans-120.6-170.7-174.3-64.8-179.3178.5177.30111.8
71F30.5Very low38Very low205 Ų205140.6 Ų140.690%0.89979%0.791SS**  trans80.3144.9173.3-44.8-72.8000114.4
72S33.3Very low38.2Very low111 Ų111139.9 Ų139.978%0.77679%0.791SS**  cis-143.3157.3-0.9-1690000111.4
73L40.6Very low38.4Very low164 Ų164142.4 Ų142.486%0.85980%0.795SS**  trans-68.8144.5154.7-99.284.7000109.6
74C30.1Very low38.8Very low130 Ų130146.1 Ų146.188%0.87881%0.805SS**  trans-164.9145.1141.8-126.40000112.1
75A35.1Very low39.3Very low94 Ų94144.9 Ų144.978%0.77780%0.802SS**  trans31.9113.6162.300000120.2G77A75-G77 PolarHBondContact O-N 2.63Å
76M32.5Very low38.2Very low198 Ų198147 Ų14798%0.97581%0.806SS**  trans-69.9121.2154.3-62.1-170.2-56.800109.4
77G31.5Very low37.5Very low61 Ų61145.6 Ų145.663%0.62980%0.796SS**  trans-98.8132.4161.300000109.5A75 V79A75-G77 PolarHBondContact O-N 2.63Å; G77-V79 PolarHBondContact O-N 2.9Å; G77-V79 VanDerWaalsContact O-N 3.08Å
78D44.3Very low37.8Very low159 Ų159142.2 Ų142.285%0.8579%0.79SS**  trans-68.1103.5178.9178.612.4000110.7
79V37.4Very low36.9Very low125 Ų125144 Ų14476%0.75879%0.788SS**  trans-118.490.5174.7-178.30000108.8G77 E81G77-V79 PolarHBondContact O-N 2.9Å; G77-V79 VanDerWaalsContact O-N 3.08Å; V79-E81 PolarHBondContact O-N 3.34Å
80K43Very low37.1Very low183 Ų183143.6 Ų143.680%0.79678%0.775SS**  trans11.393.9149.5-64.6-68.3-175.2-178.60114S82K80-S82 PolarHBondContact O-N 3.32Å
81E34.6Very low37.4Very low194 Ų194141.1 Ų141.191%0.90778%0.777SS**  trans-57.5111.8171-69.8-171.1147.600109.8V79 K83V79-E81 PolarHBondContact O-N 3.34Å; E81-K83 PolarHBondContact O-N 3.44Å
82S39Very low38.1Very low100 Ų100135.2 Ų135.270%0.69977%0.774SS**  trans-69.887.6169.255.90000107.9K80 M84K80-S82 PolarHBondContact O-N 3.32Å; S82-M84 PolarHBondContact O-N 3.29Å
83K36Very low38.7Very low195 Ų195140.4 Ų140.485%0.84878%0.777SS**  trans-51.799.9178.4-178.6-176.2177.3-175.50109.7E81 Q85E81-K83 PolarHBondContact O-N 3.44Å; K83-Q85 PolarHBondContact O-N 3.01Å
84M38.4Very low39.3Very low161 Ų161139.7 Ų139.779%0.79377%0.772SS**  trans-63.1108.2176-74.1-176.7167.800108.5S82 I86S82-M84 PolarHBondContact O-N 3.29Å; M84-I86 VanDerWaalsContact C-N 3.28Å; M84-I86 PolarHBondContact O-N 3Å
85Q38.3Very low40.6Very low170 Ų170138.2 Ų138.279%0.79476%0.761SS**  trans-75.286.3174.7-177.4166.6-22.900108.3K83 T87K83-Q85 PolarHBondContact O-N 3.01Å; Q85-T87 PolarHBondContact O-N 3.01Å
86I38.2Very low41.7Very low152 Ų152140.5 Ų140.578%0.77977%0.765SS**  trans-72.685.7171.3-55.6175.8000107.3M84 P88M84-I86 VanDerWaalsContact C-N 3.28Å; M84-I86 PolarHBondContact O-N 3Å; I86-P88 WeakPolarHBondContact O-CD 3.36Å
87T42Very low43.2Very low73 Ų73135.2 Ų135.245%0.44874%0.74SS.*  trans-68.1126165.9-44.90000107.9Q85 E89Q85-T87 PolarHBondContact O-N 3.01Å; T87-E89 HydrophobicContact CG2-CG 3.82Å; T87-E89 PolarHBondContact O-N 2.93Å
88P39.8Very low44.8Very low110 Ų110135.1 Ų135.171%0.71473%0.725SS**  trans-77.855.2171.534.4-35.4000110.6I86 T90I86-P88 WeakPolarHBondContact O-CD 3.36Å; P88-T90 PolarHBondContact O-N 3.18Å; P88-T90 PolarHBondContact O-OG1 2.99Å
89E42.8Very low46Very low156 Ų156132.6 Ų132.673%0.72972%0.718SS**  trans-57102.6167.6-79.6-56.9137.800108T87 P91T87-E89 HydrophobicContact CG2-CG 3.82Å; T87-E89 PolarHBondContact O-N 2.93Å; E89-P91 WeakPolarHBondContact O-CD 3.45Å
90T38.5Very low47.2Very low96 Ų96135.7 Ų135.759%0.58972%0.721SS**  trans-101.9102.2179.4-57.50000107P88 G92P88-T90 PolarHBondContact O-N 3.18Å; P88-T90 PolarHBondContact O-OG1 2.99Å; T90-G92 PolarHBondContact O-N 2.97Å
91P39.8Very low48.2Very low127 Ų127131 Ų13183%0.82570%0.702SS**THydrogen-bonded Turntrans-61131.3-171.7-2435.3000111.6E89E89-P91 WeakPolarHBondContact O-CD 3.45Å
92G45.8Very low49.5Very low81 Ų81122.9 Ų122.984%0.83567%0.667SS**THydrogen-bonded Turntrans98.814.8168.600000117.5T90T90-G92 PolarHBondContact O-N 2.97Å
93R45.6Very low50.6Low220 Ų220123.3 Ų123.383%0.8367%0.667SS**  trans-100.2112.6162.7-75.9-169.5177.8-113.6-1.6111.4
94I53.2Low51.8Low148 Ų148117.2 Ų117.276%0.75965%0.649SS**  trans-58.4134.5160.5-49.5171.4000107.1V96I94-V96 PolarHBondContact O-N 3.03Å; I94-V96 VanDerWaalsContact O-N 3.16Å
95P56.8Low53Low99 Ų99113 Ų11364%0.64363%0.63SS**  trans-57.4121.2170.8-23.534000109.7L97P95-L97 HydrophobicContact CB-CD1 4.49Å; P95-L97 PolarHBondContact O-N 3.03Å
96V58.7Low54Low142 Ų142107.9 Ų107.986%0.86160%0.604SS**  trans-77.876.7170.7-176.10000107.1I94I94-V96 PolarHBondContact O-N 3.03Å; I94-V96 VanDerWaalsContact O-N 3.16Å
97L63.6Low55Low88 Ų88104.4 Ų104.446%0.46159%0.593SS.*  trans-56.5132.6170.1-81.8139.9000109P95 P99 Y106P95-L97 HydrophobicContact CB-CD1 4.49Å; P95-L97 PolarHBondContact O-N 3.03Å; L97-P99 WeakPolarHBondContact O-CD 3.5Å; L97-Y106 HydrophobicContact CD2-CD2 3.87Å; L97-Y106 HydrophobicContact CD2-CE1 4.39Å; L97-Y106 HydrophobicContact CD2-CE2 3.5Å; L97-Y106 VanDerWaalsContact CD2-CE2 3.5Å; L97-Y106 HydrophobicContact CD2-CG 4.49Å
98N64.9Low55.7Low58 Ų58106.6 Ų106.631%0.3160%0.602SS.*  trans-63.6123.1168.5177.40.7000108F100 E101 Y106N98-F100 PolarHBondContact O-N 3.22Å; N98-F100 WeakPolarHBondContact OD1-CD2 3.26Å; N98-F100 PolarHBondContact OD1-N 3.36Å; N98-F100 VanDerWaalsContact OD1-N 3.11Å; N98-E101 HydrophobicContact CB-CB 4.1Å; N98-E101 VanDerWaalsContact CB-CD 3.47Å; N98-E101 HydrophobicContact CB-CG 3.96Å; N98-E101 VanDerWaalsContact ND2-CD 3.29Å; N98-E101 PolarHBondContact ND2-OE1 3.2Å; N98-E101 PolarHBondContact O-N 3.02Å; N98-Y106 PolarHBondContact N-OH 2.99Å
99P68.7Low56.5Low107 Ų107107.1 Ų107.170%0.69560%0.598SS**THydrogen-bonded Turntrans-64.5-7.7-178.727.1-36.2000114.1L97L97-P99 WeakPolarHBondContact O-CD 3.5Å
100F63.1Low57.1Low190 Ų190107.3 Ų107.383%0.83360%0.598SS**THydrogen-bonded Turntrans-101-1.4174.6-56.5-71000114.3N98N98-F100 PolarHBondContact O-N 3.22Å; N98-F100 WeakPolarHBondContact OD1-CD2 3.26Å; N98-F100 PolarHBondContact OD1-N 3.36Å; N98-F100 VanDerWaalsContact OD1-N 3.11Å
101E65.5Low57.9Low84 Ų84109.9 Ų109.939%0.39360%0.604SS.*SBendtrans-106143.3177.4-73.5161-155.900110.8N98 Y106N98-E101 HydrophobicContact CB-CB 4.1Å; N98-E101 VanDerWaalsContact CB-CD 3.47Å; N98-E101 HydrophobicContact CB-CG 3.96Å; N98-E101 VanDerWaalsContact ND2-CD 3.29Å; N98-E101 PolarHBondContact ND2-OE1 3.2Å; N98-E101 PolarHBondContact O-N 3.02Å; E101-Y106 HydrophobicContact CB-CE2 3.83Å; E101-Y106 WeakPolarHBondContact OE2-CE2 3.13Å; E101-Y106 PolarHBondContact OE2-OH 2.96Å
102S60.4Low58.5Low24 Ų24112 Ų11217%0.16860%0.603CS.*  trans-84150.2-179.476.30000111.4S104 D105S102-S104 PolarHBondContact O-N 3.2Å; S102-S104 PolarHBondContact OG-OG 3.27Å; S102-D105 WeakPolarHBondContact CA-OD2 3.24Å; S102-D105 VanDerWaalsContact CB-OD2 3.32Å; S102-D105 WeakPolarHBondContact CB-OD2 3.31Å; S102-D105 PolarHBondContact N-OD2 3.41Å; S102-D105 PolarHBondContact O-N 3.31Å; S102-D105 PolarHBondContact OG-OD1 3.18Å; S102-D105 PolarHBondContact OG-OD2 2.87Å
103P62.8Low58.7Low109 Ų109113.8 Ų113.871%0.70860%0.598SS**THydrogen-bonded Turntrans-56.7-25175.9-27.135.9000113.9
104S61.1Low58.9Low67 Ų67110.6 Ų110.647%0.46960%0.596SS.*THydrogen-bonded Turntrans-64.5-38.8174.115.30000113.4S102 Y106 S107S102-S104 PolarHBondContact O-N 3.2Å; S102-S104 PolarHBondContact OG-OG 3.27Å; S104-Y106 VanDerWaalsContact C-N 3.27Å; S104-Y106 PolarHBondContact O-N 3.11Å; S104-S107 WeakPolarHBondContact O-CB 3.27Å; S104-S107 PolarHBondContact O-N 2.76Å; S104-S107 PolarHBondContact O-OG 3.39Å
105D62.6Low58.4Low71 Ų71107.9 Ų107.938%0.3860%0.596SS.*Hα-helixtrans-62.9-36.3-171-59.6-43.2000112S102 S107 N108S102-D105 WeakPolarHBondContact CA-OD2 3.24Å; S102-D105 VanDerWaalsContact CB-OD2 3.32Å; S102-D105 WeakPolarHBondContact CB-OD2 3.31Å; S102-D105 PolarHBondContact N-OD2 3.41Å; S102-D105 PolarHBondContact O-N 3.31Å; S102-D105 PolarHBondContact OG-OD1 3.18Å; S102-D105 PolarHBondContact OG-OD2 2.87Å; D105-S107 PolarHBondContact O-N 3.28Å; D105-N108 PolarHBondContact O-N 2.85Å
106Y59.6Low57.7Low64 Ų64108.2 Ų108.225%0.25160%0.601SS.*Hα-helixtrans-65.6-18.3176.3-68.7-96.6000113.7L97 N98 E101 S104 L109 H110L97-Y106 HydrophobicContact CD2-CD2 3.87Å; L97-Y106 HydrophobicContact CD2-CE1 4.39Å; L97-Y106 HydrophobicContact CD2-CE2 3.5Å; L97-Y106 VanDerWaalsContact CD2-CE2 3.5Å; L97-Y106 HydrophobicContact CD2-CG 4.49Å; N98-Y106 PolarHBondContact N-OH 2.99Å; E101-Y106 HydrophobicContact CB-CE2 3.83Å; E101-Y106 WeakPolarHBondContact OE2-CE2 3.13Å; E101-Y106 PolarHBondContact OE2-OH 2.96Å; S104-Y106 VanDerWaalsContact C-N 3.27Å; S104-Y106 PolarHBondContact O-N 3.11Å; Y106-L109 PolarHBondContact O-N 2.9Å; Y106-H110 PolarHBondContact O-ND1 3.18Å
107S59.5Low57.1Low79 Ų79107 Ų10755%0.55260%0.596SS**Hα-helixtrans-66.2-41.3176.7-48.80000111S104 D105 H110S104-S107 WeakPolarHBondContact O-CB 3.27Å; S104-S107 PolarHBondContact O-N 2.76Å; S104-S107 PolarHBondContact O-OG 3.39Å; D105-S107 PolarHBondContact O-N 3.28Å; S107-H110 PolarHBondContact O-N 3.07Å
108N57.3Low56.3Low118 Ų118107.3 Ų107.363%0.63161%0.605SS**Hα-helixtrans-76-26.9-179.6-58.6-59.3000112.2D105 H110 E111D105-N108 PolarHBondContact O-N 2.85Å; N108-H110 PolarHBondContact O-N 2.83Å; N108-E111 WeakPolarHBondContact O-CB 3.49Å; N108-E111 PolarHBondContact O-N 3.4Å
109L56.3Low55.6Low122 Ų122110.8 Ų110.864%0.63963%0.628SS**Hα-helixtrans-68.6-16.4174.2-91.5148.4000114.1Y106Y106-L109 PolarHBondContact O-N 2.9Å
110H54.8Low54.6Low159 Ų159115.1 Ų115.174%0.73664%0.636SS**THydrogen-bonded Turntrans-86.4-6.8172.7-72.989.7000113.5Y106 S107 N108 Q112Y106-H110 PolarHBondContact O-ND1 3.18Å; S107-H110 PolarHBondContact O-N 3.07Å; N108-H110 PolarHBondContact O-N 2.83Å; H110-Q112 PolarHBondContact O-N 2.97Å
111E56Low54Low151 Ų151114.6 Ų114.671%0.70663%0.634SS**SBendtrans-64.8110.9164-67.7-145.2149.700108.9N108 T113N108-E111 WeakPolarHBondContact O-CB 3.49Å; N108-E111 PolarHBondContact O-N 3.4Å; E111-T113 PolarHBondContact O-N 3.33Å
112Q51.7Low53.3Low171 Ų171116.5 Ų116.580%0.79966%0.657SS**  trans-5698.2-171.9179.3170.99400110.9H110 L114H110-Q112 PolarHBondContact O-N 2.97Å; Q112-L114 PolarHBondContact O-N 2.81Å
113T50.9Low52.7Low119 Ų119120.5 Ų120.573%0.7368%0.68SS**  trans-60.799.3-172.6-43.40000109.9E111 A115E111-T113 PolarHBondContact O-N 3.33Å; T113-A115 PolarHBondContact O-N 3.11Å
114L49.3Very low52.2Low152 Ų152125 Ų12580%0.79669%0.689SS**  trans-58.8117.8179.6-68.4178.1000108.1Q112 S116Q112-L114 PolarHBondContact O-N 2.81Å; L114-S116 PolarHBondContact O-N 3.32Å
115A43.5Very low52Low92 Ų92128.6 Ų128.676%0.7670%0.702SS**  trans-51.7129.4-160.800000112.5T113T113-A115 PolarHBondContact O-N 3.11Å
116S41.4Very low51.8Low106 Ų106130.7 Ų130.774%0.74172%0.719SS**  trans-43.5123.5-179.9-52.90000110.7L114 S118L114-S116 PolarHBondContact O-N 3.32Å; S116-S118 PolarHBondContact O-N 3.29Å; S116-S118 VanDerWaalsContact O-N 3.11Å
117P45.6Very low51.5Low116 Ų116134 Ų13475%0.75375%0.746SS**  trans-59.3121.6-17022.1-33.1000110.1V119P117-V119 VanDerWaalsContact O-CG2 3.24Å; P117-V119 WeakPolarHBondContact O-CG2 3.2Å; P117-V119 PolarHBondContact O-N 3.4Å
118S47.9Very low51.3Low94 Ų94136 Ų13666%0.65776%0.757SS**  trans-57.2105.5-170.1-178.10000112S116 F120S116-S118 PolarHBondContact O-N 3.29Å; S116-S118 VanDerWaalsContact O-N 3.11Å; S118-F120 PolarHBondContact O-N 3.37Å
119V48.8Very low51.8Low131 Ų131133.7 Ų133.779%0.79476%0.762SS**  trans-75.38.7-175.1-159.90000112.1P117 K121P117-V119 VanDerWaalsContact O-CG2 3.24Å; P117-V119 WeakPolarHBondContact O-CG2 3.2Å; P117-V119 PolarHBondContact O-N 3.4Å; V119-K121 PolarHBondContact O-N 3.35Å
120F47.8Very low52.3Low198 Ų198136.6 Ų136.687%0.86877%0.769SS**  trans-76.543.9176.5-64.2-68.4000113.6S118S118-F120 PolarHBondContact O-N 3.37Å
121K52Low52.9Low179 Ų179136 Ų13678%0.77876%0.764SS**  trans-110.195.9157.5-69.1-71.2-174.6175.50107V119 T123V119-K121 PolarHBondContact O-N 3.35Å; K121-T123 PolarHBondContact O-N 2.92Å
122S49.8Very low53.8Low125 Ų125137.8 Ų137.887%0.87477%0.765SS**  trans-73.671.2-177.5-165.50000112.2
123T47.7Very low55Low107 Ų107137 Ų13766%0.65676%0.755SS**  trans-72.6125.4163.6-610000107.9K121 L125K121-T123 PolarHBondContact O-N 2.92Å; T123-L125 PolarHBondContact O-N 3.38Å
124K52.2Low56.5Low205 Ų205133.2 Ų133.289%0.89173%0.733SS**  trans-71.776.6174.4-68.8-177179.1179.60110.7
125L56.6Low58.2Low141 Ų141133 Ų13374%0.73873%0.731SS**PPolyproline II helixtrans-60.4146.8162.7-70.4170.7000109.1T123 T127T123-L125 PolarHBondContact O-N 3.38Å; L125-T127 PolarHBondContact O-N 3.16Å
126P58.4Low60.3Low115 Ų115134.3 Ų134.375%0.74773%0.725SS**PPolyproline II helixtrans-52.7136.1168.3-23.433.9000109.7
127T54.7Low62.3Low134 Ų134133.8 Ų133.882%0.82271%0.711SS**PPolyproline II helixtrans-51124.6-179.5-44.50000109.4L125 G129L125-T127 PolarHBondContact O-N 3.16Å; T127-G129 PolarHBondContact O-N 2.78Å
128P55Low64.1Low121 Ų121132.3 Ų132.379%0.78670%0.696SS**  trans-53.3113.6-179.6-28.735.9000110K130P128-K130 PolarHBondContact O-N 3.47Å
129G67.1Low65.6Low70 Ų70131.8 Ų131.872%0.72270%0.698SS**  trans-56.2127.5-176.800000109.2T127 F131T127-G129 PolarHBondContact O-N 2.78Å; G129-F131 PolarHBondContact O-N 2.92Å
130K66.3Low67.4Low183 Ų183131.1 Ų131.180%0.79669%0.694SS**  trans-28.8105.5-169.9179.2179.7179.51740111.5P128 R132P128-K130 PolarHBondContact O-N 3.47Å; K130-R132 HydrophobicContact CG-CG 4.41Å; K130-R132 WeakPolarHBondContact O-CG 3.43Å; K130-R132 PolarHBondContact O-N 2.87Å; K130-R132 VanDerWaalsContact O-N 3.07Å
131F68.5Low69.2Low145 Ų145126.2 Ų126.264%0.63668%0.676SS**  trans-55.2119.1-176-178.4-98.8000109.6G129 W133G129-F131 PolarHBondContact O-N 2.92Å; F131-W133 AromaticContact CE1-CD2 3.92Å; F131-W133 HydrophobicContact CE1-CD2 3.92Å; F131-W133 AromaticContact CE1-CE2 3.63Å; F131-W133 HydrophobicContact CE1-CE3 4.48Å; F131-W133 HydrophobicContact CE1-CG 4.28Å; F131-W133 AromaticContact CE1-CZ2 4Å; F131-W133 HydrophobicContact CE1-CZ2 4Å; F131-W133 AromaticContact CE1-NE1 3.76Å; F131-W133 AromaticContact CZ-CD2 3.7Å; F131-W133 HydrophobicContact CZ-CD2 3.7Å; F131-W133 AromaticContact CZ-CE2 3.61Å; F131-W133 AromaticContact CZ-CE3 3.8Å; F131-W133 HydrophobicContact CZ-CE3 3.8Å; F131-W133 HydrophobicContact CZ-CG 4.44Å; F131-W133 AromaticContact CZ-CH2 3.81Å; F131-W133 HydrophobicContact CZ-CH2 3.81Å; F131-W133 AromaticContact CZ-CZ2 3.69Å; F131-W133 HydrophobicContact CZ-CZ2 3.69Å; F131-W133 AromaticContact CZ-CZ3 3.85Å; F131-W133 HydrophobicContact CZ-CZ3 3.85Å
132R74.3Confident70.7Confident190 Ų190124.2 Ų124.272%0.71767%0.673SS**  trans-142.2113-179.7-75.3-179.769.1-167.30.3105.8K130 S134 Q137K130-R132 HydrophobicContact CG-CG 4.41Å; K130-R132 WeakPolarHBondContact O-CG 3.43Å; K130-R132 PolarHBondContact O-N 2.87Å; K130-R132 VanDerWaalsContact O-N 3.07Å; R132-S134 PolarHBondContact O-N 2.95Å; R132-Q137 PolarHBondContact O-OE1 3.07Å
133W76.4Confident72.4Confident155 Ų155124.1 Ų124.159%0.58767%0.67SS**  trans-51.3107.1163.7-63.2121.6000109F131 L138 I141F131-W133 AromaticContact CE1-CD2 3.92Å; F131-W133 HydrophobicContact CE1-CD2 3.92Å; F131-W133 AromaticContact CE1-CE2 3.63Å; F131-W133 HydrophobicContact CE1-CE3 4.48Å; F131-W133 HydrophobicContact CE1-CG 4.28Å; F131-W133 AromaticContact CE1-CZ2 4Å; F131-W133 HydrophobicContact CE1-CZ2 4Å; F131-W133 AromaticContact CE1-NE1 3.76Å; F131-W133 AromaticContact CZ-CD2 3.7Å; F131-W133 HydrophobicContact CZ-CD2 3.7Å; F131-W133 AromaticContact CZ-CE2 3.61Å; F131-W133 AromaticContact CZ-CE3 3.8Å; F131-W133 HydrophobicContact CZ-CE3 3.8Å; F131-W133 HydrophobicContact CZ-CG 4.44Å; F131-W133 AromaticContact CZ-CH2 3.81Å; F131-W133 HydrophobicContact CZ-CH2 3.81Å; F131-W133 AromaticContact CZ-CZ2 3.69Å; F131-W133 HydrophobicContact CZ-CZ2 3.69Å; F131-W133 AromaticContact CZ-CZ3 3.85Å; F131-W133 HydrophobicContact CZ-CZ3 3.85Å; W133-L138 HydrophobicContact CB-CD1 4.2Å; W133-L138 HydrophobicContact CB-CD2 4.11Å; W133-L138 HydrophobicContact CB-CG 4.08Å; W133-L138 HydrophobicContact CD2-CD2 3.77Å; W133-L138 HydrophobicContact CE3-CD2 3.65Å; W133-L138 HydrophobicContact CE3-CG 4.4Å; W133-L138 HydrophobicContact CG-CD2 4.02Å; W133-L138 HydrophobicContact CZ3-CD2 4.25Å; W133-I141 HydrophobicContact CE3-CD1 4.47Å; W133-I141 HydrophobicContact CH2-CD1 4Å; W133-I141 HydrophobicContact CZ3-CD1 3.74Å
134S83.1Confident74.2Confident39 Ų39125.1 Ų125.127%0.27368%0.676SS.*  trans-80.7158.3161.481.20000109R132 D136 Q137 L138R132-S134 PolarHBondContact O-N 2.95Å; S134-D136 WeakPolarHBondContact CB-OD2 3.47Å; S134-D136 PolarHBondContact O-N 2.76Å; S134-D136 PolarHBondContact OG-N 3.24Å; S134-D136 PolarHBondContact OG-OD2 3.36Å; S134-Q137 PolarHBondContact O-N 2.95Å; S134-Q137 VanDerWaalsContact O-N 3.09Å; S134-Q137 WeakPolarHBondContact OG-CG 3.48Å; S134-Q137 PolarHBondContact OG-N 3.34Å; S134-Q137 VanDerWaalsContact OG-N 3.13Å; S134-L138 PolarHBondContact O-N 3.25Å
135I84.8Confident75.7Confident147 Ų147124.4 Ų124.475%0.75468%0.676SS**Hα-helixtrans-58.9-38.1175.9-62.4172000109.4Q137 L138 A139I135-Q137 VanDerWaalsContact C-N 3.33Å; I135-Q137 PolarHBondContact O-N 2.99Å; I135-L138 PolarHBondContact O-N 3.24Å; I135-A139 WeakPolarHBondContact O-CB 3.39Å; I135-A139 PolarHBondContact O-N 3.25Å
136D86.9Confident77.2Confident120 Ų120122.9 Ų122.964%0.64267%0.667SS**Hα-helixtrans-65.4-32.8177.4-25-81.9000112.7S134 V140S134-D136 WeakPolarHBondContact CB-OD2 3.47Å; S134-D136 PolarHBondContact O-N 2.76Å; S134-D136 PolarHBondContact OG-N 3.24Å; S134-D136 PolarHBondContact OG-OD2 3.36Å; D136-V140 WeakPolarHBondContact O-CG2 3.38Å; D136-V140 PolarHBondContact O-N 3.29Å
137Q83.4Confident78.7Confident94 Ų94121.4 Ų121.444%0.43965%0.653SS.*Hα-helixtrans-74.6-37.8174.7-74.6173.1-11.100112.2R132 S134 I135 A139 V140R132-Q137 PolarHBondContact O-OE1 3.07Å; S134-Q137 PolarHBondContact O-N 2.95Å; S134-Q137 VanDerWaalsContact O-N 3.09Å; S134-Q137 WeakPolarHBondContact OG-CG 3.48Å; S134-Q137 PolarHBondContact OG-N 3.34Å; S134-Q137 VanDerWaalsContact OG-N 3.13Å; I135-Q137 VanDerWaalsContact C-N 3.33Å; I135-Q137 PolarHBondContact O-N 2.99Å; Q137-A139 VanDerWaalsContact C-N 3.33Å; Q137-V140 PolarHBondContact O-N 3.44Å
138L83.4Confident80.3Confident85 Ų85118.3 Ų118.345%0.44564%0.635SS.*Hα-helixtrans-67.1-36.3173.8-66.1174.6000111.1W133 S134 I135 V140 I141W133-L138 HydrophobicContact CB-CD1 4.2Å; W133-L138 HydrophobicContact CB-CD2 4.11Å; W133-L138 HydrophobicContact CB-CG 4.08Å; W133-L138 HydrophobicContact CD2-CD2 3.77Å; W133-L138 HydrophobicContact CE3-CD2 3.65Å; W133-L138 HydrophobicContact CE3-CG 4.4Å; W133-L138 HydrophobicContact CG-CD2 4.02Å; W133-L138 HydrophobicContact CZ3-CD2 4.25Å; S134-L138 PolarHBondContact O-N 3.25Å; I135-L138 PolarHBondContact O-N 3.24Å; L138-V140 PolarHBondContact O-N 3Å; L138-I141 HydrophobicContact CD2-CD1 3.89Å; L138-I141 WeakPolarHBondContact O-CB 3.48Å; L138-I141 PolarHBondContact O-N 3.32Å
139A81.2Confident81.9Confident83 Ų83117.7 Ų117.769%0.68662%0.622SS**THydrogen-bonded Turntrans-68.6-8.7174.800000114.6I135 Q137I135-A139 WeakPolarHBondContact O-CB 3.39Å; I135-A139 PolarHBondContact O-N 3.25Å; Q137-A139 VanDerWaalsContact C-N 3.33Å
140V85Confident82.9Confident117 Ų117116.9 Ų116.971%0.70960%0.6SS**THydrogen-bonded Turntrans-93.2-11.9171.3169.60000111.8D136 Q137 L138 N142D136-V140 WeakPolarHBondContact O-CG2 3.38Å; D136-V140 PolarHBondContact O-N 3.29Å; Q137-V140 PolarHBondContact O-N 3.44Å; L138-V140 PolarHBondContact O-N 3Å; V140-N142 PolarHBondContact O-N 3.15Å
141I86.6Confident84Confident96 Ų96112.5 Ų112.549%0.49259%0.585SS.*SBendtrans-80.5108.9173-52.9176.5000108.1W133 L138W133-I141 HydrophobicContact CE3-CD1 4.47Å; W133-I141 HydrophobicContact CH2-CD1 4Å; W133-I141 HydrophobicContact CZ3-CD1 3.74Å; L138-I141 HydrophobicContact CD2-CD1 3.89Å; L138-I141 WeakPolarHBondContact O-CB 3.48Å; L138-I141 PolarHBondContact O-N 3.32Å
142N83.3Confident85Confident136 Ų136111 Ų11173%0.72758%0.58SS**PPolyproline II helixtrans-61.6145.3167.4-67.9-17.6000109.7V140V140-N142 PolarHBondContact O-N 3.15Å
143P84.8Confident85.7Confident123 Ų123107.6 Ų107.680%0.79957%0.567SS**PPolyproline II helixtrans-50.6143.8164-24.434.5000110.8E145P143-E145 PolarHBondContact O-N 2.66Å
144V85.6Confident86.3Confident129 Ų129106.1 Ų106.178%0.78257%0.566SS**PPolyproline II helixtrans-66.3126.9171.2178.60000107.8I146V144-I146 PolarHBondContact O-N 3Å
145E84.9Confident86.3Confident190 Ų190106.9 Ų106.989%0.88858%0.575SS**  trans-70.8114.4171.6-169.5160.4-148.700107.6P143P143-E145 PolarHBondContact O-N 2.66Å
146I87.5Confident86.4Confident109 Ų109104.5 Ų104.556%0.55956%0.563SS**  trans-98.3123.6177-58175.5000106.7V144 D150 I151V144-I146 PolarHBondContact O-N 3Å; I146-D150 HydrophobicContact CG2-CB 4.41Å; I146-I151 HydrophobicContact CG2-CD1 4.18Å; I146-I151 HydrophobicContact CG2-CG1 3.85Å
147D90.6Very high86.2Confident84 Ų84107 Ų10745%0.44957%0.565SS.*  trans-63.4131.7-179.6-148.433.3000109.6E149 D150 I151D147-E149 PolarHBondContact O-N 3.44Å; D147-D150 HydrophobicContact CB-CB 4.14Å; D147-D150 WeakPolarHBondContact O-CA 3.34Å; D147-D150 VanDerWaalsContact O-CB 3.3Å; D147-D150 WeakPolarHBondContact O-CB 3.28Å; D147-D150 PolarHBondContact O-N 2.93Å; D147-I151 PolarHBondContact O-N 2.97Å
148P87.3Confident86Confident68 Ų68108.5 Ų108.544%0.44258%0.575SS.*Hα-helixtrans-63.1-29.2178.117.4-19.8000111.3D150 I151 H152P148-D150 VanDerWaalsContact C-N 3.31Å; P148-D150 PolarHBondContact O-N 3.28Å; P148-I151 WeakPolarHBondContact O-CB 3.44Å; P148-I151 PolarHBondContact O-N 3.07Å; P148-H152 VanDerWaalsContact O-CG 3.24Å; P148-H152 PolarHBondContact O-N 3.28Å; P148-H152 PolarHBondContact O-ND1 3.39Å; P148-H152 VanDerWaalsContact O-ND1 3.16Å
149E89Confident85.6Confident109 Ų109108.2 Ų108.251%0.50958%0.58SS.*Hα-helixtrans-63.2-29169.4-75.262.6-148.400113.4D147 R153D147-E149 PolarHBondContact O-N 3.44Å; E149-R153 WeakPolarHBondContact O-CB 3.24Å; E149-R153 PolarHBondContact O-N 2.94Å; E149-R153 PolarHBondContact O-NH1 3.04Å
150D88.2Confident85Confident52 Ų52111 Ų11128%0.27858%0.579SS.*Hα-helixtrans-69.5-42.5169.9-77.30.9000111.2I146 D147 P148 R153 Q154I146-D150 HydrophobicContact CG2-CB 4.41Å; D147-D150 HydrophobicContact CB-CB 4.14Å; D147-D150 WeakPolarHBondContact O-CA 3.34Å; D147-D150 VanDerWaalsContact O-CB 3.3Å; D147-D150 WeakPolarHBondContact O-CB 3.28Å; D147-D150 PolarHBondContact O-N 2.93Å; P148-D150 VanDerWaalsContact C-N 3.31Å; P148-D150 PolarHBondContact O-N 3.28Å; D150-R153 PolarHBondContact O-N 3.24Å; D150-R153 IonicContact OD1-CZ 3.9Å; D150-R153 IonicContact OD1-NH1 2.65Å; D150-R153 PolarHBondContact OD1-NH1 2.71Å; D150-R153 IonicContact OD1-NH2 3.64Å; D150-R153 PolarHBondContact OD1-NH2 2.93Å; D150-R153 IonicContact OD2-NH2 2.69Å; D150-Q154 WeakPolarHBondContact O-CB 3.37Å; D150-Q154 WeakPolarHBondContact O-CG 3.4Å; D150-Q154 PolarHBondContact O-N 2.62Å
151I88.4Confident84.3Confident92 Ų92108.5 Ų108.547%0.47257%0.567SS.*Hα-helixtrans-64.3-46176.9-56.5174.8000109.8I146 D147 P148 R153 Q154 A155I146-I151 HydrophobicContact CG2-CD1 4.18Å; I146-I151 HydrophobicContact CG2-CG1 3.85Å; D147-I151 PolarHBondContact O-N 2.97Å; P148-I151 WeakPolarHBondContact O-CB 3.44Å; P148-I151 PolarHBondContact O-N 3.07Å; I151-R153 PolarHBondContact O-N 2.82Å; I151-Q154 PolarHBondContact O-N 2.9Å; I151-A155 WeakPolarHBondContact O-CB 3.24Å; I151-A155 PolarHBondContact O-N 2.78Å
152H90.1Very high83.4Confident114 Ų114114.9 Ų114.953%0.52859%0.585SS.*Hα-helixtrans-62.1-40.6174.7-64144000112P148 A155 L156P148-H152 VanDerWaalsContact O-CG 3.24Å; P148-H152 PolarHBondContact O-N 3.28Å; P148-H152 PolarHBondContact O-ND1 3.39Å; P148-H152 VanDerWaalsContact O-ND1 3.16Å; H152-A155 PolarHBondContact O-N 3.32Å; H152-L156 WeakPolarHBondContact O-CB 3.49Å; H152-L156 VanDerWaalsContact O-CG 3.26Å; H152-L156 WeakPolarHBondContact O-CG 3.38Å; H152-L156 PolarHBondContact O-N 2.92Å
153R89.8Confident82.7Confident117 Ų117112.9 Ų112.944%0.44257%0.573SS.*Hα-helixtrans-66.4-37.3176.7-173.316971.3-97.76.2112.5E149 D150 I151 Y157E149-R153 WeakPolarHBondContact O-CB 3.24Å; E149-R153 PolarHBondContact O-N 2.94Å; E149-R153 PolarHBondContact O-NH1 3.04Å; D150-R153 PolarHBondContact O-N 3.24Å; D150-R153 IonicContact OD1-CZ 3.9Å; D150-R153 IonicContact OD1-NH1 2.65Å; D150-R153 PolarHBondContact OD1-NH1 2.71Å; D150-R153 IonicContact OD1-NH2 3.64Å; D150-R153 PolarHBondContact OD1-NH2 2.93Å; D150-R153 IonicContact OD2-NH2 2.69Å; I151-R153 PolarHBondContact O-N 2.82Å; R153-Y157 WeakPolarHBondContact O-CB 3.34Å; R153-Y157 PolarHBondContact O-N 2.83Å
154Q87.4Confident82.5Confident124 Ų124111.4 Ų111.458%0.57956%0.558SS**Hα-helixtrans-68.1-44.6173-72.417724.100111.7D150 I151 L156 Y157 L158D150-Q154 WeakPolarHBondContact O-CB 3.37Å; D150-Q154 WeakPolarHBondContact O-CG 3.4Å; D150-Q154 PolarHBondContact O-N 2.62Å; I151-Q154 PolarHBondContact O-N 2.9Å; Q154-L156 VanDerWaalsContact C-N 3.33Å; Q154-L156 PolarHBondContact O-N 2.93Å; Q154-Y157 PolarHBondContact O-N 3.15Å; Q154-L158 WeakPolarHBondContact O-CB 3.48Å; Q154-L158 WeakPolarHBondContact O-CG 3.15Å; Q154-L158 PolarHBondContact O-N 3.34Å
155A84.8Confident82.7Confident55 Ų55112 Ų11246%0.45555%0.55SS.*Hα-helixtrans-61.8-40.2175.700000112.1I151 H152 L158 S159I151-A155 WeakPolarHBondContact O-CB 3.24Å; I151-A155 PolarHBondContact O-N 2.78Å; H152-A155 PolarHBondContact O-N 3.32Å; A155-L158 PolarHBondContact O-N 2.91Å; A155-S159 PolarHBondContact O-N 3.25Å; A155-S159 PolarHBondContact O-OG 2.91Å
156L85.9Confident83Confident97 Ų97108.8 Ų108.851%0.50854%0.539SS..Hα-helixtrans-62.9-46.5171.3-76.5165.9000111.6H152 Q154 L158 S159 H160H152-L156 WeakPolarHBondContact O-CB 3.49Å; H152-L156 VanDerWaalsContact O-CG 3.26Å; H152-L156 WeakPolarHBondContact O-CG 3.38Å; H152-L156 PolarHBondContact O-N 2.92Å; Q154-L156 VanDerWaalsContact C-N 3.33Å; Q154-L156 PolarHBondContact O-N 2.93Å; L156-L158 VanDerWaalsContact C-N 3.29Å; L156-L158 PolarHBondContact O-N 3.11Å; L156-S159 PolarHBondContact O-N 2.99Å; L156-S159 PolarHBondContact O-OG 2.79Å; L156-S159 VanDerWaalsContact O-OG 3.05Å; L156-H160 WeakPolarHBondContact O-CB 3.38Å; L156-H160 PolarHBondContact O-N 3.04Å; L156-H160 PolarHBondContact O-ND1 3.17Å
157Y82.4Confident83.2Confident172 Ų172106.2 Ų106.268%0.67553%0.529SS*.Hα-helixtrans-61.2-39.2177.9-172-92.7000112.1R153 Q154 H160 S161R153-Y157 WeakPolarHBondContact O-CB 3.34Å; R153-Y157 PolarHBondContact O-N 2.83Å; Q154-Y157 PolarHBondContact O-N 3.15Å; Y157-H160 PolarHBondContact O-N 3.36Å; Y157-S161 WeakPolarHBondContact O-CB 3.4Å; Y157-S161 PolarHBondContact O-N 2.92Å
158L80.2Confident83.2Confident126 Ų126105.7 Ų105.766%0.6652%0.523SS*.Hα-helixtrans-69.2-36.6176.2-69.7170000112.7Q154 A155 L156 S161Q154-L158 WeakPolarHBondContact O-CB 3.48Å; Q154-L158 WeakPolarHBondContact O-CG 3.15Å; Q154-L158 PolarHBondContact O-N 3.34Å; A155-L158 PolarHBondContact O-N 2.91Å; L156-L158 VanDerWaalsContact C-N 3.29Å; L156-L158 PolarHBondContact O-N 3.11Å; L158-S161 WeakPolarHBondContact O-CB 3.49Å; L158-S161 PolarHBondContact O-N 3.05Å
159S75.3Confident83.5Confident79 Ų79106.5 Ų106.555%0.55252%0.524SS*.Hα-helixtrans-76.6-27174.7670000113.6A155 L156 S161A155-S159 PolarHBondContact O-N 3.25Å; A155-S159 PolarHBondContact O-OG 2.91Å; L156-S159 PolarHBondContact O-N 2.99Å; L156-S159 PolarHBondContact O-OG 2.79Å; L156-S159 VanDerWaalsContact O-OG 3.05Å; S159-S161 VanDerWaalsContact C-N 3.34Å
160H68.8Low83.8Confident142 Ų142108.7 Ų108.766%0.65753%0.532SS*.Hα-helixtrans-78.7-20.7170.7-72.664.7000112.3L156 Y157 R162L156-H160 WeakPolarHBondContact O-CB 3.38Å; L156-H160 PolarHBondContact O-N 3.04Å; L156-H160 PolarHBondContact O-ND1 3.17Å; Y157-H160 PolarHBondContact O-N 3.36Å; H160-R162 PolarHBondContact O-N 2.82Å
161S70.3Confident84.1Confident64 Ų64111.7 Ų111.745%0.44854%0.54SS..SBendtrans-69.175.9161-156.20000109Y157 L158 S159 I163Y157-S161 WeakPolarHBondContact O-CB 3.4Å; Y157-S161 PolarHBondContact O-N 2.92Å; L158-S161 WeakPolarHBondContact O-CB 3.49Å; L158-S161 PolarHBondContact O-N 3.05Å; S159-S161 VanDerWaalsContact C-N 3.34Å; S161-I163 PolarHBondContact O-N 3.39Å
162R65.9Low84.4Confident230 Ų230111.5 Ų111.587%0.86854%0.536SS*.  trans-63.385.3167.8-70.5-172.4178.3-163.5-0.4108.3H160 D164H160-R162 PolarHBondContact O-N 2.82Å; R162-D164 PolarHBondContact O-N 3.32Å; R162-D164 VanDerWaalsContact O-N 3.15Å
163I69.8Low84.6Confident95 Ų95112.5 Ų112.549%0.48754%0.539SS..  trans-50.8120.2153-11767000105.3S161 K165 E168S161-I163 PolarHBondContact O-N 3.39Å; I163-K165 PolarHBondContact O-N 2.69Å; I163-K165 VanDerWaalsContact O-N 3.13Å; I163-E168 HydrophobicContact CG2-CB 3.82Å; I163-E168 HydrophobicContact CG2-CG 4.28Å
164D81.1Confident84.7Confident92 Ų92109.7 Ų109.749%0.49254%0.541SS..  trans-63.7117.2176.2-179.3-4.5000107.3R162 D166 V167 E168R162-D164 PolarHBondContact O-N 3.32Å; R162-D164 VanDerWaalsContact O-N 3.15Å; D164-D166 PolarHBondContact O-N 3.07Å; D164-D166 PolarHBondContact OD1-N 3.11Å; D164-V167 HydrophobicContact CB-CB 4.03Å; D164-V167 HydrophobicContact CB-CG2 3.78Å; D164-V167 WeakPolarHBondContact O-CA 3.19Å; D164-V167 WeakPolarHBondContact O-CB 3.49Å; D164-V167 PolarHBondContact O-N 2.75Å; D164-V167 WeakPolarHBondContact OD2-CG2 3.44Å; D164-E168 PolarHBondContact O-N 3.08Å
165K88.8Confident84.9Confident140 Ų140107.7 Ų107.761%0.60953%0.533SS*.Hα-helixtrans-59.5-38.9-174-174.8-178.3173.6-175.40110.6I163 V167 E168 D169I163-K165 PolarHBondContact O-N 2.69Å; I163-K165 VanDerWaalsContact O-N 3.13Å; K165-V167 PolarHBondContact O-N 2.88Å; K165-E168 PolarHBondContact O-N 3.42Å; K165-D169 VanDerWaalsContact CE-OD2 3.23Å; K165-D169 WeakPolarHBondContact CE-OD2 3.4Å; K165-D169 WeakPolarHBondContact O-CB 3.33Å; K165-D169 PolarHBondContact O-N 2.83Å
166D91.3Very high85.2Confident123 Ų123109.7 Ų109.766%0.65853%0.533SS*.Hα-helixtrans-66.6-24.5178.8-67.5-6.5000111.7D164 K170D164-D166 PolarHBondContact O-N 3.07Å; D164-D166 PolarHBondContact OD1-N 3.11Å; D166-K170 WeakPolarHBondContact O-CB 3.33Å; D166-K170 PolarHBondContact O-N 3Å
167V91.1Very high85.4Confident55 Ų55109.6 Ų109.633%0.33353%0.53SS..Hα-helixtrans-83.4-36.1174.6-178.60000111.4D164 K165 K170 R171D164-V167 HydrophobicContact CB-CB 4.03Å; D164-V167 HydrophobicContact CB-CG2 3.78Å; D164-V167 WeakPolarHBondContact O-CA 3.19Å; D164-V167 WeakPolarHBondContact O-CB 3.49Å; D164-V167 PolarHBondContact O-N 2.75Å; D164-V167 WeakPolarHBondContact OD2-CG2 3.44Å; K165-V167 PolarHBondContact O-N 2.88Å; V167-K170 PolarHBondContact O-N 3.16Å; V167-R171 VanDerWaalsContact O-CG 3.31Å; V167-R171 WeakPolarHBondContact O-CG 3.45Å; V167-R171 PolarHBondContact O-N 2.95Å
168E91.3Very high85.6Confident73 Ų73107.1 Ų107.134%0.34152%0.523SS..Hα-helixtrans-72.2-46.3174.8-163.759.3-129.600112I163 D164 K165 K170 R171 Q172I163-E168 HydrophobicContact CG2-CB 3.82Å; I163-E168 HydrophobicContact CG2-CG 4.28Å; D164-E168 PolarHBondContact O-N 3.08Å; K165-E168 PolarHBondContact O-N 3.42Å; E168-K170 PolarHBondContact O-N 3.18Å; E168-K170 VanDerWaalsContact O-N 3.17Å; E168-R171 WeakPolarHBondContact O-CA 3.31Å; E168-R171 WeakPolarHBondContact O-CB 3.38Å; E168-R171 PolarHBondContact O-N 2.93Å; E168-R171 WeakPolarHBondContact OE2-CD 3.42Å; E168-R171 IonicContact OE2-CZ 3.12Å; E168-R171 IonicContact OE2-NE 2.62Å; E168-R171 IonicContact OE2-NH1 2.67Å; E168-R171 PolarHBondContact OE2-NH1 2.87Å; E168-Q172 WeakPolarHBondContact O-CB 3.47Å; E168-Q172 PolarHBondContact O-N 2.98Å
169D93.7Very high85.8Confident86 Ų86107.6 Ų107.646%0.4652%0.52SS..Hα-helixtrans-57.5-32.8172.8-71.3-7.3000110.5K165 K173K165-D169 VanDerWaalsContact CE-OD2 3.23Å; K165-D169 WeakPolarHBondContact CE-OD2 3.4Å; K165-D169 WeakPolarHBondContact O-CB 3.33Å; K165-D169 PolarHBondContact O-N 2.83Å; D169-K173 WeakPolarHBondContact O-CB 3.5Å; D169-K173 PolarHBondContact O-N 3.33Å
170K95.1Very high86.3Confident155 Ų155109.1 Ų109.167%0.67453%0.527SS*.Hα-helixtrans-73.5-34172.4-177.5177.4-179.5-179.60113.9D166 V167 E168 A174D166-K170 WeakPolarHBondContact O-CB 3.33Å; D166-K170 PolarHBondContact O-N 3Å; V167-K170 PolarHBondContact O-N 3.16Å; E168-K170 PolarHBondContact O-N 3.18Å; E168-K170 VanDerWaalsContact O-N 3.17Å; K170-A174 WeakPolarHBondContact O-CB 3.13Å; K170-A174 PolarHBondContact O-N 3.05Å
171R94.2Very high86.5Confident115 Ų115107.4 Ų107.443%0.43452%0.517SS..Hα-helixtrans-66-51.3171.4-72.4163.5-172.6146.54.3110V167 E168 K173 A174 I175V167-R171 VanDerWaalsContact O-CG 3.31Å; V167-R171 WeakPolarHBondContact O-CG 3.45Å; V167-R171 PolarHBondContact O-N 2.95Å; E168-R171 WeakPolarHBondContact O-CA 3.31Å; E168-R171 WeakPolarHBondContact O-CB 3.38Å; E168-R171 PolarHBondContact O-N 2.93Å; E168-R171 WeakPolarHBondContact OE2-CD 3.42Å; E168-R171 IonicContact OE2-CZ 3.12Å; E168-R171 IonicContact OE2-NE 2.62Å; E168-R171 IonicContact OE2-NH1 2.67Å; E168-R171 PolarHBondContact OE2-NH1 2.87Å; R171-K173 PolarHBondContact O-N 2.86Å; R171-A174 WeakPolarHBondContact O-CB 3.49Å; R171-A174 PolarHBondContact O-N 2.94Å; R171-A174 VanDerWaalsContact O-N 3.07Å; R171-I175 WeakPolarHBondContact O-CG1 3.12Å; R171-I175 PolarHBondContact O-N 3.31Å
172Q95.4Very high86.1Confident87 Ų87112.2 Ų112.241%0.40754%0.538SS..Hα-helixtrans-58.7-46.1178.1179.355.526.400111.3E168 A174 I175 E176E168-Q172 WeakPolarHBondContact O-CB 3.47Å; E168-Q172 PolarHBondContact O-N 2.98Å; Q172-A174 VanDerWaalsContact C-N 3.33Å; Q172-A174 PolarHBondContact O-N 2.88Å; Q172-I175 WeakPolarHBondContact O-CB 3.43Å; Q172-I175 PolarHBondContact O-N 3.13Å; Q172-E176 WeakPolarHBondContact CG-OE1 3.38Å; Q172-E176 PolarHBondContact NE2-OE1 2.8Å; Q172-E176 WeakPolarHBondContact O-CG 3.46Å; Q172-E176 PolarHBondContact O-N 3.28Å
173K94.4Very high85.9Confident136 Ų136106.9 Ų106.959%0.59153%0.531SS*.Hα-helixtrans-61-37.8173.2-178.9175.1177.9177.10113.2D169 R171 I175 E176 E177D169-K173 WeakPolarHBondContact O-CB 3.5Å; D169-K173 PolarHBondContact O-N 3.33Å; R171-K173 PolarHBondContact O-N 2.86Å; K173-I175 VanDerWaalsContact C-N 3.34Å; K173-E176 PolarHBondContact O-N 3.09Å; K173-E177 WeakPolarHBondContact O-CB 3.37Å; K173-E177 PolarHBondContact O-N 2.85Å
174A92.3Very high85.6Confident57 Ų57105.3 Ų105.347%0.47152%0.522SS..Hα-helixtrans-69.5-33.1176.600000112.3K170 R171 Q172 F178K170-A174 WeakPolarHBondContact O-CB 3.13Å; K170-A174 PolarHBondContact O-N 3.05Å; R171-A174 WeakPolarHBondContact O-CB 3.49Å; R171-A174 PolarHBondContact O-N 2.94Å; R171-A174 VanDerWaalsContact O-N 3.07Å; Q172-A174 VanDerWaalsContact C-N 3.33Å; Q172-A174 PolarHBondContact O-N 2.88Å; A174-F178 WeakPolarHBondContact O-CB 3.42Å; A174-F178 PolarHBondContact O-N 3.46Å
175I91.3Very high84.4Confident82 Ų82106.6 Ų106.642%0.42153%0.534SS..Hα-helixtrans-65.3-52170.6-68.3164.2000109.5R171 Q172 K173 E177 F178 F179R171-I175 WeakPolarHBondContact O-CG1 3.12Å; R171-I175 PolarHBondContact O-N 3.31Å; Q172-I175 WeakPolarHBondContact O-CB 3.43Å; Q172-I175 PolarHBondContact O-N 3.13Å; K173-I175 VanDerWaalsContact C-N 3.34Å; I175-E177 VanDerWaalsContact C-N 3.32Å; I175-E177 PolarHBondContact O-N 3.5Å; I175-F178 WeakPolarHBondContact O-CA 3.43Å; I175-F178 WeakPolarHBondContact O-CB 3.47Å; I175-F178 PolarHBondContact O-N 3.05Å; I175-F179 HydrophobicContact CG2-CD2 3.77Å; I175-F179 HydrophobicContact CG2-CE2 3.93Å; I175-F179 WeakPolarHBondContact O-CD2 3.33Å; I175-F179 PolarHBondContact O-N 3.39Å
176E91.5Very high83.1Confident98 Ų98103.8 Ų103.846%0.45853%0.529SS..Hα-helixtrans-58-42.1176.5-72.5168.3-169.400112.3Q172 K173 F178 F179 T180Q172-E176 WeakPolarHBondContact CG-OE1 3.38Å; Q172-E176 PolarHBondContact NE2-OE1 2.8Å; Q172-E176 WeakPolarHBondContact O-CG 3.46Å; Q172-E176 PolarHBondContact O-N 3.28Å; K173-E176 PolarHBondContact O-N 3.09Å; E176-F178 VanDerWaalsContact C-N 3.27Å; E176-F178 PolarHBondContact O-N 3.45Å; E176-F179 PolarHBondContact O-N 2.65Å; E176-T180 WeakPolarHBondContact O-CB 3.47Å; E176-T180 PolarHBondContact O-N 2.93Å; E176-T180 PolarHBondContact O-OG1 3.43Å
177E90.4Very high81.4Confident95 Ų95101.3 Ų101.344%0.44452%0.522SS..Hα-helixtrans-66.1-28.7176.3-174.1175.1163.200112.4K173 I175 K181K173-E177 WeakPolarHBondContact O-CB 3.37Å; K173-E177 PolarHBondContact O-N 2.85Å; I175-E177 VanDerWaalsContact C-N 3.32Å; I175-E177 PolarHBondContact O-N 3.5Å; E177-K181 HydrophobicContact CG-CD 4.37Å; E177-K181 VanDerWaalsContact CG-CE 3.49Å; E177-K181 VanDerWaalsContact CG-NZ 3.34Å; E177-K181 VanDerWaalsContact O-CD 3.28Å; E177-K181 WeakPolarHBondContact O-CD 3.32Å; E177-K181 VanDerWaalsContact O-CG 3.24Å; E177-K181 WeakPolarHBondContact O-CG 3.17Å; E177-K181 IonicContact OE1-NZ 3.36Å; E177-K181 PolarHBondContact OE1-NZ 2.95Å
178F85.1Confident79.9Confident119 Ų119104.4 Ų104.452%0.52254%0.543SS..Hα-helixtrans-76.2-41.5173.2179.6-96.7000112.4A174 I175 E176 K181 I184A174-F178 WeakPolarHBondContact O-CB 3.42Å; A174-F178 PolarHBondContact O-N 3.46Å; I175-F178 WeakPolarHBondContact O-CA 3.43Å; I175-F178 WeakPolarHBondContact O-CB 3.47Å; I175-F178 PolarHBondContact O-N 3.05Å; E176-F178 VanDerWaalsContact C-N 3.27Å; E176-F178 PolarHBondContact O-N 3.45Å; F178-K181 VanDerWaalsContact O-O 3.13Å; F178-I184 HydrophobicContact CD1-CD1 3.93Å; F178-I184 HydrophobicContact CD1-CG1 4.06Å; F178-I184 HydrophobicContact CE1-CD1 3.71Å; F178-I184 HydrophobicContact CE1-CG1 3.62Å; F178-I184 HydrophobicContact CZ-CG1 3.99Å
179F84.8Confident78.1Confident136 Ų136111.1 Ų111.160%0.59657%0.565SS**Hα-helixtrans-80.2-25.2179-79.1-84.3000114.2I175 E176 I184I175-F179 HydrophobicContact CG2-CD2 3.77Å; I175-F179 HydrophobicContact CG2-CE2 3.93Å; I175-F179 WeakPolarHBondContact O-CD2 3.33Å; I175-F179 PolarHBondContact O-N 3.39Å; E176-F179 PolarHBondContact O-N 2.65Å; F179-I184 HydrophobicContact CB-CD1 4.3Å; F179-I184 HydrophobicContact CD1-CD1 3.19Å; F179-I184 HydrophobicContact CE1-CD1 3.48Å; F179-I184 VanDerWaalsContact CE1-CD1 3.48Å; F179-I184 HydrophobicContact CG-CD1 3.78Å; F179-I184 HydrophobicContact CZ-CD1 4.27Å
180T85Confident76.4Confident112 Ų112109.9 Ų109.969%0.68756%0.561SS**SBendtrans-82.3-18177.2-53.60000112.4E176E176-T180 WeakPolarHBondContact O-CB 3.47Å; E176-T180 PolarHBondContact O-N 2.93Å; E176-T180 PolarHBondContact O-OG1 3.43Å
181K74.3Confident74.1Confident105 Ų105110.2 Ų110.246%0.45757%0.57SS.*SBendtrans-88.8121.4168.2-69.2171.8-169169.90108E177 F178 V183E177-K181 HydrophobicContact CG-CD 4.37Å; E177-K181 VanDerWaalsContact CG-CE 3.49Å; E177-K181 VanDerWaalsContact CG-NZ 3.34Å; E177-K181 VanDerWaalsContact O-CD 3.28Å; E177-K181 WeakPolarHBondContact O-CD 3.32Å; E177-K181 VanDerWaalsContact O-CG 3.24Å; E177-K181 WeakPolarHBondContact O-CG 3.17Å; E177-K181 IonicContact OE1-NZ 3.36Å; E177-K181 PolarHBondContact OE1-NZ 2.95Å; F178-K181 VanDerWaalsContact O-O 3.13Å; K181-V183 HydrophobicContact CB-CG2 4.3Å; K181-V183 PolarHBondContact O-N 3.17Å
182D62.2Low72.1Confident165 Ų165111.6 Ų111.688%0.88258%0.581SS**THydrogen-bonded Turntrans-68.636.3173.8-59.5-59.4000113.6
183V62.1Low69.8Low119 Ų119116.5 Ų116.572%0.72160%0.604SS**THydrogen-bonded Turntrans-102.22.2174.3-171.40000110.3K181 V185K181-V183 HydrophobicContact CB-CG2 4.3Å; K181-V183 PolarHBondContact O-N 3.17Å; V183-V185 VanDerWaalsContact C-N 3.33Å; V183-V185 PolarHBondContact O-N 2.83Å
184I62.6Low67.5Low61 Ų61113.2 Ų113.231%0.31361%0.609SS.*SBendtrans-61.4101.9155.5-62.1-173.7000107.2F178 F179 P186F178-I184 HydrophobicContact CD1-CD1 3.93Å; F178-I184 HydrophobicContact CD1-CG1 4.06Å; F178-I184 HydrophobicContact CE1-CD1 3.71Å; F178-I184 HydrophobicContact CE1-CG1 3.62Å; F178-I184 HydrophobicContact CZ-CG1 3.99Å; F179-I184 HydrophobicContact CB-CD1 4.3Å; F179-I184 HydrophobicContact CD1-CD1 3.19Å; F179-I184 HydrophobicContact CE1-CD1 3.48Å; F179-I184 VanDerWaalsContact CE1-CD1 3.48Å; F179-I184 HydrophobicContact CG-CD1 3.78Å; F179-I184 HydrophobicContact CZ-CD1 4.27Å; I184-P186 WeakPolarHBondContact O-CD 3.41Å; I184-P186 VanDerWaalsContact O-N 3.14Å
185V55Low65.7Low120 Ų120120.2 Ų120.273%0.72763%0.629SS**PPolyproline II helixtrans-52.3119.9166.1179.50000106.6V183 S187V183-V185 VanDerWaalsContact C-N 3.33Å; V183-V185 PolarHBondContact O-N 2.83Å; V185-S187 PolarHBondContact O-N 3.07Å
186P61.4Low63Low80 Ų80124.5 Ų124.552%0.51965%0.647SS.*PPolyproline II helixtrans-52.2142.3178.8-27.535.3000110I184I184-P186 WeakPolarHBondContact O-CD 3.41Å; I184-P186 VanDerWaalsContact O-N 3.14Å
187S56.2Low61Low71 Ų71128.6 Ų128.650%0.49767%0.671SS.*PPolyproline II helixtrans-49.4130.4176-175.50000108.4V185 W189 T190V185-S187 PolarHBondContact O-N 3.07Å; S187-W189 PolarHBondContact O-N 3.45Å; S187-T190 PolarHBondContact O-N 2.89Å; S187-T190 PolarHBondContact O-OG1 3.03Å
188P59.1Low58.7Low120 Ų120127.5 Ų127.578%0.77967%0.674SS**THydrogen-bonded Turntrans-61.911.1-172.6-27.636.3000116.8
189W53.1Low57Low214 Ų214129.7 Ų129.781%0.81169%0.686SS**THydrogen-bonded Turntrans-1193-177.1-55.998.4000112.8S187S187-W189 PolarHBondContact O-N 3.45Å
190T58Low54.3Low60 Ų60128 Ų12837%0.36869%0.69SS.*  trans-107.195.217655.30000111.3S187 H192S187-T190 PolarHBondContact O-N 2.89Å; S187-T190 PolarHBondContact O-OG1 3.03Å; T190-H192 PolarHBondContact O-N 2.82Å; T190-H192 VanDerWaalsContact O-N 3.15Å
191D48.1Very low52.4Low162 Ų162129.6 Ų129.687%0.86669%0.689SS**  trans-61.1113.2163.6-74.8-46.5000109
192H52.3Low50.4Low145 Ų145129.7 Ų129.767%0.67170%0.703SS**  trans-123.882.6-177.3-78.2-5.3000110.5T190 G194T190-H192 PolarHBondContact O-N 2.82Å; T190-H192 VanDerWaalsContact O-N 3.15Å; H192-G194 PolarHBondContact O-N 2.81Å
193E46.3Very low49.5Very low189 Ų189127.6 Ų127.688%0.88370%0.701SS**  trans-46124.1165.6-60.1-72.9-169.200110.1
194G47.1Very low48.4Very low67 Ų67130.1 Ų130.169%0.69170%0.703SS**  trans-74.1134.3-161.200000115.7H192H192-G194 PolarHBondContact O-N 2.81Å
195K53.4Low46.9Very low204 Ų204133.6 Ų133.689%0.88773%0.731SS**  trans74.199.8157.5-49.2169.3-175.9174.70117.7
196Q35.5Very low46Very low173 Ų173132.9 Ų132.981%0.80873%0.727SS**  -164.8157.4100.5-118.9-169.814.600113.4S198Q196-S198 PolarHBondContact O-N 2.56Å
197L49.4Very low45Very low183 Ų183135.5 Ų135.596%0.95874%0.737SS**  trans-72.575.6157.1-83.3164.5000109.4
198S42.2Very low44.2Very low73 Ų73139.6 Ų139.651%0.5175%0.751SS.*  trans-100.6107.8168.256.40000109.4Q196 C200Q196-S198 PolarHBondContact O-N 2.56Å; S198-C200 PolarHBondContact O-N 3.37Å; S198-C200 PolarHBondContact OG-SG 3Å
199Q48.7Very low43Very low165 Ų165140.2 Ų140.277%0.77175%0.748SS**  trans-70.675.1175-170.2-175.28.200110.1H201Q199-H201 VanDerWaalsContact C-N 3.32Å; Q199-H201 PolarHBondContact NE2-NE2 2.95Å; Q199-H201 PolarHBondContact O-CD2 3.17Å; Q199-H201 PolarHBondContact O-N 2.99Å
200C28.3Very low42.6Very low101 Ų101135.2 Ų135.268%0.68275%0.745SS**  trans-76.778.6-173.2-74.80000112.5S198 S202S198-C200 PolarHBondContact O-N 3.37Å; S198-C200 PolarHBondContact OG-SG 3Å; C200-S202 PolarHBondContact O-N 3.47Å
201H45.3Very low41.6Very low144 Ų144139.9 Ų139.967%0.66777%0.768SS**  trans-56.797.7156.8-65.6-79.6000109.3Q199Q199-H201 VanDerWaalsContact C-N 3.32Å; Q199-H201 PolarHBondContact NE2-NE2 2.95Å; Q199-H201 PolarHBondContact O-CD2 3.17Å; Q199-H201 PolarHBondContact O-N 2.99Å
202S33Very low41Very low108 Ų108138 Ų13876%0.75577%0.768SS**  trans-106.945.6-179.5-1580000112.2C200 K204C200-S202 PolarHBondContact O-N 3.47Å; S202-K204 PolarHBondContact O-N 3.25Å
203S43.3Very low40.4Very low120 Ų120136.6 Ų136.684%0.83977%0.771SS**  trans-74.958.7170.744.60000111.5
204K38.5Very low40.4Very low173 Ų173134.9 Ų134.975%0.75277%0.774SS**  trans-130.852174.9-156.4177.7-178.5176.80113.1S202 T206S202-K204 PolarHBondContact O-N 3.25Å; K204-T206 PolarHBondContact O-N 2.95Å
205C31.7Very low40.4Very low133 Ų133135 Ų13590%0.89978%0.775SS**  trans-67.7114.1150.9-151.50000107N207C205-N207 PolarHBondContact O-N 3.31Å
206T35.8Very low39.7Very low105 Ų105134.7 Ų134.764%0.64477%0.774SS**  trans-69.1121.1-175.939.30000111K204 I208K204-T206 PolarHBondContact O-N 2.95Å; T206-I208 PolarHBondContact O-N 2.8Å
207N40Very low40.2Very low136 Ų136135.2 Ų135.273%0.72777%0.773SS**  trans-50.2122.1169.8177.5-23.5000110.5C205 N209C205-N207 PolarHBondContact O-N 3.31Å; N207-N209 PolarHBondContact OD1-N 3.27Å
208I38.8Very low39.9Very low157 Ų157133.5 Ų133.581%0.80576%0.764SS**  trans-124.1125.7152.5-56179.8000105.6T206T206-I208 PolarHBondContact O-N 2.8Å
209N34.5Very low39.8Very low132 Ų132133.6 Ų133.671%0.70676%0.762SS**  trans-43.1151.6-165.1-64-55.6000116.9N207 D211N207-N209 PolarHBondContact OD1-N 3.27Å; N209-D211 PolarHBondContact O-N 2.84Å
210S45.3Very low39.8Very low109 Ų109132.8 Ų132.876%0.76276%0.761SS**  trans-42.5122.3160.752.10000113.6
211D35.8Very low40.8Very low158 Ų158135.6 Ų135.685%0.84576%0.764SS**  -158.2132129.3-103.7-30.2000110.1N209 P213N209-D211 PolarHBondContact O-N 2.84Å; D211-P213 WeakPolarHBondContact O-CD 3.36Å
212S35.7Very low41Very low123 Ų123133.5 Ų133.586%0.8677%0.766SS**PPolyproline II helixtrans-101.8118.9-178.8-77.10000112.2
213P40.7Very low42.2Very low115 Ų115137 Ų13775%0.74777%0.77SS**PPolyproline II helixtrans-95.8122.7151.832.5-27.9000110.4D211D211-P213 WeakPolarHBondContact O-CD 3.36Å
214V45.8Very low43.5Very low153 Ų153140.3 Ų140.393%0.92777%0.769SS**SBendtrans-52.3142.6176.9169.90000112.5
215G46.1Very low44.8Very low70 Ų70137.5 Ų137.572%0.72277%0.771SS**  trans9856151.600000117.6
216K39.9Very low46.5Very low197 Ų197138.1 Ų138.186%0.85777%0.766SS**  trans-126113.6161.1-67.4-177.4-176.5174.70110.5L218K216-L218 PolarHBondContact O-N 3.14Å
217K45.8Very low47.9Very low184 Ų184137.5 Ų137.580%0.877%0.772SS**  trans-63.2104.7177.2176.9-174173.5-1780109.3T219K217-T219 VanDerWaalsContact C-N 3.3Å; K217-T219 PolarHBondContact O-N 2.88Å; K217-T219 PolarHBondContact O-OG1 2.93Å
218L42.5Very low49.1Very low147 Ų147134.8 Ų134.877%0.7777%0.768SS**  trans-68.291.2176.8-159.3159.3000108.6K216 I220K216-L218 PolarHBondContact O-N 3.14Å; L218-I220 HydrophobicContact CD2-CG1 3.62Å; L218-I220 PolarHBondContact O-N 3.3Å; L218-I220 VanDerWaalsContact O-N 3.14Å
219T41.2Very low50.4Low75 Ų75132.1 Ų132.146%0.4676%0.762SS.*  trans-81.995.9-179.5-56.80000107.1K217 H221K217-T219 VanDerWaalsContact C-N 3.3Å; K217-T219 PolarHBondContact O-N 2.88Å; K217-T219 PolarHBondContact O-OG1 2.93Å; T219-H221 VanDerWaalsContact C-N 3.26Å; T219-H221 PolarHBondContact O-CD2 2.89Å; T219-H221 PolarHBondContact O-N 3.49Å
220I48.2Very low52.3Low148 Ų148134.7 Ų134.776%0.75977%0.77SS**  trans-64.593.5170.6-57174.9000106.8L218 S222L218-I220 HydrophobicContact CD2-CG1 3.62Å; L218-I220 PolarHBondContact O-N 3.3Å; L218-I220 VanDerWaalsContact O-N 3.14Å; I220-S222 PolarHBondContact O-N 3.28Å
221H48Very low53.9Low160 Ų160134.9 Ų134.974%0.74177%0.767SS**  trans-69.3102.1168.7-80.4-91.1000107.1T219 E223T219-H221 VanDerWaalsContact C-N 3.26Å; T219-H221 PolarHBondContact O-CD2 2.89Å; T219-H221 PolarHBondContact O-N 3.49Å; H221-E223 VanDerWaalsContact C-N 3.3Å; H221-E223 PolarHBondContact O-N 3.45Å
222S49.8Very low56.2Low100 Ų100134.5 Ų134.570%0.69976%0.764SS**  trans-60.999163.2173.40000107.4I220 K224I220-S222 PolarHBondContact O-N 3.28Å; S222-K224 PolarHBondContact O-N 3.21Å
223E59.4Low58.3Low181 Ų181135.7 Ų135.785%0.84676%0.76SS**  trans-67.5114.7175.4-174.6167.4-170.800108.2H221 S225H221-E223 VanDerWaalsContact C-N 3.3Å; H221-E223 PolarHBondContact O-N 3.45Å; E223-S225 PolarHBondContact O-N 3.26Å
224K69.7Low60.3Low191 Ų191135.1 Ų135.183%0.8376%0.758SS**  trans-85.297.4178.6-64.3-176.4180-175.50108S222 D226S222-K224 PolarHBondContact O-N 3.21Å; K224-D226 PolarHBondContact O-N 2.89Å
225S67.2Low62.3Low113 Ų113132.2 Ų132.279%0.7974%0.737SS**  trans-61.8119.4168.241.80000109.7E223 A227E223-S225 PolarHBondContact O-N 3.26Å; S225-A227 PolarHBondContact O-N 3.43Å
226D66.7Low64.2Low146 Ų146132.5 Ų132.578%0.78173%0.726SS**  trans-82.8109.9174.7-172.79.3000109.4K224 A228K224-D226 PolarHBondContact O-N 2.89Å; D226-A228 PolarHBondContact O-N 3.03Å
227A64.4Low66.3Low93 Ų93130.8 Ų130.877%0.76973%0.732SS**  trans-84.845.5-177.600000112.3S225 C229S225-A227 PolarHBondContact O-N 3.43Å; A227-C229 PolarHBondContact O-N 3.33Å
228A66.5Low68.2Low79 Ų79128.7 Ų128.765%0.65373%0.729SS**  trans-73.484.6-178.400000112D226D226-A228 PolarHBondContact O-N 3.03Å
229C64.6Low70.3Confident100 Ų100125.7 Ų125.768%0.67671%0.71SS**  trans-83.2114.3177.256.20000112.4A227A227-C229 PolarHBondContact O-N 3.33Å
230Q76.1Confident72.4Confident186 Ų186126.5 Ų126.587%0.86971%0.712SS**  trans-87.8107.8171.3-175.8177.90.100110.3L232Q230-L232 PolarHBondContact O-N 2.77Å
231T77Confident74.1Confident114 Ų114123.5 Ų123.570%0.69970%0.697SS**  trans-78.3109.2173.742.90000111.1L233T231-L233 PolarHBondContact O-N 2.81Å
232L84.3Confident75.9Confident149 Ų149122 Ų12278%0.7869%0.69SS**  trans-82.4106.1172.7-170.4150.3000109.6Q230Q230-L232 PolarHBondContact O-N 2.77Å
233L80.1Confident77.5Confident149 Ų149123.3 Ų123.378%0.7869%0.689SS**  trans-92.2103.9175.9-63.5176.8000110.2T231T231-L233 PolarHBondContact O-N 2.81Å
234S83.9Confident78.8Confident103 Ų103118.5 Ų118.572%0.7267%0.669SS**  trans-86.3110.8169.756.90000110.4
235L86.2Confident79.5Confident91 Ų91113 Ų11348%0.47665%0.648SS.*  trans-84.5150171.8-59.9172.7000110.2F239 L241L235-F239 HydrophobicContact CB-CB 4.17Å; L235-F239 HydrophobicContact CB-CD1 4.1Å; L235-F239 HydrophobicContact CB-CG 4.32Å; L235-F239 HydrophobicContact CD1-CD1 3.9Å; L235-F239 HydrophobicContact CD1-CE1 4.24Å; L235-F239 HydrophobicContact CD2-CD1 3.94Å; L235-F239 HydrophobicContact CD2-CE1 3.95Å; L235-F239 HydrophobicContact CG-CD1 4.19Å; L235-L241 HydrophobicContact CD1-CD1 3.68Å; L235-L241 HydrophobicContact CD1-CD2 4.43Å; L235-L241 HydrophobicContact CD1-CG 4.05Å
236P87.6Confident80.3Confident77 Ų77108 Ų10850%0.562%0.615SS.*  trans-54.8150.6170.3-2431.8000112.5D238 F239P236-D238 VanDerWaalsContact CB-OD1 3.26Å; P236-D238 WeakPolarHBondContact CB-OD1 3.47Å; P236-D238 PolarHBondContact O-N 3.06Å; P236-F239 HydrophobicContact CB-CB 4.01Å; P236-F239 HydrophobicContact CG-CB 4.21Å; P236-F239 HydrophobicContact CG-CD2 4.47Å; P236-F239 WeakPolarHBondContact O-CB 3.35Å; P236-F239 PolarHBondContact O-N 3.17Å
237V83.9Confident81Confident160 Ų160106.8 Ų106.897%0.9761%0.608SS**THydrogen-bonded Turntrans-63.8-25.4-174.5178.90000112.5
238D85.3Confident81.6Confident140 Ų140111.7 Ų111.775%0.74961%0.608SS**THydrogen-bonded Turntrans-982.3177.658.2-30.2000113.7P236 N240P236-D238 VanDerWaalsContact CB-OD1 3.26Å; P236-D238 WeakPolarHBondContact CB-OD1 3.47Å; P236-D238 PolarHBondContact O-N 3.06Å; D238-N240 PolarHBondContact O-N 3.33Å
239F85.5Confident81.8Confident85 Ų85115.7 Ų115.737%0.37361%0.611SS.*  trans-74.889.3-176.1-169-93000112.2L235 P236 L241 I244L235-F239 HydrophobicContact CB-CB 4.17Å; L235-F239 HydrophobicContact CB-CD1 4.1Å; L235-F239 HydrophobicContact CB-CG 4.32Å; L235-F239 HydrophobicContact CD1-CD1 3.9Å; L235-F239 HydrophobicContact CD1-CE1 4.24Å; L235-F239 HydrophobicContact CD2-CD1 3.94Å; L235-F239 HydrophobicContact CD2-CE1 3.95Å; L235-F239 HydrophobicContact CG-CD1 4.19Å; P236-F239 HydrophobicContact CB-CB 4.01Å; P236-F239 HydrophobicContact CG-CB 4.21Å; P236-F239 HydrophobicContact CG-CD2 4.47Å; P236-F239 WeakPolarHBondContact O-CB 3.35Å; P236-F239 PolarHBondContact O-N 3.17Å; F239-L241 HydrophobicContact CD1-CD2 4.38Å; F239-L241 HydrophobicContact CD1-CG 4.05Å; F239-L241 HydrophobicContact CE1-CD2 3.75Å; F239-L241 HydrophobicContact CE1-CG 3.93Å; F239-L241 PolarHBondContact O-N 3.3Å; F239-I244 HydrophobicContact CD1-CD1 4.5Å; F239-I244 HydrophobicContact CD2-CD1 4.19Å; F239-I244 HydrophobicContact CE1-CD1 3.95Å; F239-I244 HydrophobicContact CE2-CD1 3.58Å; F239-I244 HydrophobicContact CZ-CD1 3.45Å; F239-I244 VanDerWaalsContact CZ-CD1 3.45Å
240N85.3Confident82.3Confident91 Ų91118.1 Ų118.149%0.48761%0.606SS.*  trans-76.191.5178.9-170.6-18.1000111.8D238 E242 N243 I244D238-N240 PolarHBondContact O-N 3.33Å; N240-E242 PolarHBondContact O-N 3.26Å; N240-E242 WeakPolarHBondContact OD1-CA 3.41Å; N240-E242 WeakPolarHBondContact OD1-CB 3.3Å; N240-E242 PolarHBondContact OD1-N 3.23Å; N240-N243 HydrophobicContact CB-CB 3.95Å; N240-N243 PolarHBondContact O-N 2.96Å; N240-N243 PolarHBondContact OD1-N 3.48Å; N240-I244 WeakPolarHBondContact O-CG1 3.23Å; N240-I244 PolarHBondContact O-N 2.62Å
241L85.4Confident81.5Confident86 Ų86113.7 Ų113.745%0.4560%0.601SS.*Hα-helixtrans-51.9-38.3172-85.9166.6000113.3L235 F239 I244 L245L235-L241 HydrophobicContact CD1-CD1 3.68Å; L235-L241 HydrophobicContact CD1-CD2 4.43Å; L235-L241 HydrophobicContact CD1-CG 4.05Å; F239-L241 HydrophobicContact CD1-CD2 4.38Å; F239-L241 HydrophobicContact CD1-CG 4.05Å; F239-L241 HydrophobicContact CE1-CD2 3.75Å; F239-L241 HydrophobicContact CE1-CG 3.93Å; F239-L241 PolarHBondContact O-N 3.3Å; L241-I244 PolarHBondContact O-N 2.79Å; L241-L245 HydrophobicContact CD2-CD1 3.9Å; L241-L245 WeakPolarHBondContact O-CB 3.33Å; L241-L245 PolarHBondContact O-N 3.32Å
242E85.2Confident80.4Confident127 Ų127113.4 Ų113.459%0.59360%0.596SS**Hα-helixtrans-70.8-34.7-178.9-168.1-178.2167.900111.7N240 I244 G246 R250N240-E242 PolarHBondContact O-N 3.26Å; N240-E242 WeakPolarHBondContact OD1-CA 3.41Å; N240-E242 WeakPolarHBondContact OD1-CB 3.3Å; N240-E242 PolarHBondContact OD1-N 3.23Å; E242-I244 VanDerWaalsContact C-N 3.26Å; E242-I244 PolarHBondContact O-N 2.96Å; E242-G246 WeakPolarHBondContact O-CA 3.16Å; E242-G246 PolarHBondContact O-N 3.01Å; E242-R250 IonicContact OE1-NH1 3.91Å
243N83.9Confident79.1Confident128 Ų128114.8 Ų114.868%0.68460%0.598SS**Hα-helixtrans-70.1-22.9174.1-171.482.4000113.1N240N240-N243 HydrophobicContact CB-CB 3.95Å; N240-N243 PolarHBondContact O-N 2.96Å; N240-N243 PolarHBondContact OD1-N 3.48Å
244I85.5Confident77.8Confident80 Ų80116.9 Ų116.941%0.4160%0.601SS.*Hα-helixtrans-93.5-37.2-179.1-62.9167.2000111.5F239 N240 L241 E242F239-I244 HydrophobicContact CD1-CD1 4.5Å; F239-I244 HydrophobicContact CD2-CD1 4.19Å; F239-I244 HydrophobicContact CE1-CD1 3.95Å; F239-I244 HydrophobicContact CE2-CD1 3.58Å; F239-I244 HydrophobicContact CZ-CD1 3.45Å; F239-I244 VanDerWaalsContact CZ-CD1 3.45Å; N240-I244 WeakPolarHBondContact O-CG1 3.23Å; N240-I244 PolarHBondContact O-N 2.62Å; L241-I244 PolarHBondContact O-N 2.79Å; E242-I244 VanDerWaalsContact C-N 3.26Å; E242-I244 PolarHBondContact O-N 2.96Å
245L84.8Confident76.2Confident75 Ų75115.7 Ų115.739%0.39360%0.597SS.*Hα-helixtrans-114.9-21.3-172.3-61.2178.8000113.9L241 D247 Y248 F249L241-L245 HydrophobicContact CD2-CD1 3.9Å; L241-L245 WeakPolarHBondContact O-CB 3.33Å; L241-L245 PolarHBondContact O-N 3.32Å; L245-D247 VanDerWaalsContact C-N 3.27Å; L245-D247 PolarHBondContact O-N 3.06Å; L245-Y248 CarbonylContact O-C 3.58Å; L245-Y248 WeakPolarHBondContact O-CA 3.49Å; L245-Y248 WeakPolarHBondContact O-CB 3.41Å; L245-Y248 PolarHBondContact O-N 2.82Å; L245-F249 HydrophobicContact CB-CD2 4.07Å; L245-F249 HydrophobicContact CB-CE2 4.47Å; L245-F249 WeakPolarHBondContact O-CD2 3.4Å; L245-F249 PolarHBondContact O-N 2.75Å
246G84.8Confident74.5Confident10 Ų10118 Ų11810%0.10361%0.61CS.*THydrogen-bonded Turntrans-60.2-33-171.500000113.9E242 Y248 F249 R250E242-G246 WeakPolarHBondContact O-CA 3.16Å; E242-G246 PolarHBondContact O-N 3.01Å; G246-Y248 VanDerWaalsContact C-N 3.35Å; G246-F249 CarbonylContact O-C 3.4Å; G246-F249 PolarHBondContact O-N 2.75Å; G246-R250 VanDerWaalsContact O-CD 3.24Å; G246-R250 WeakPolarHBondContact O-CD 3.34Å; G246-R250 VanDerWaalsContact O-CG 3.31Å; G246-R250 WeakPolarHBondContact O-CG 3.49Å; G246-R250 PolarHBondContact O-N 2.87Å; G246-R250 PolarHBondContact O-NE 3.15Å
247D81.8Confident72.7Confident120 Ų120123.1 Ų123.164%0.64263%0.627SS**THydrogen-bonded Turntrans-73.9-25.8176.4-68.1-12000113L245 R250L245-D247 VanDerWaalsContact C-N 3.27Å; L245-D247 PolarHBondContact O-N 3.06Å; D247-R250 IonicContact OD1-CZ 3.81Å; D247-R250 IonicContact OD1-NE 2.9Å; D247-R250 PolarHBondContact OD1-NE 3.13Å; D247-R250 IonicContact OD1-NH2 3.57Å; D247-R250 PolarHBondContact OD1-NH2 3.3Å
248Y76.7Confident70.6Confident196 Ų196120.3 Ų120.377%0.76962%0.615SS**THydrogen-bonded Turntrans-83.8-17.8171.1-57.7-81.3000113L245 G246L245-Y248 CarbonylContact O-C 3.58Å; L245-Y248 WeakPolarHBondContact O-CA 3.49Å; L245-Y248 WeakPolarHBondContact O-CB 3.41Å; L245-Y248 PolarHBondContact O-N 2.82Å; G246-Y248 VanDerWaalsContact C-N 3.35Å
249F70.6Confident68.8Low163 Ų163120.6 Ų120.672%0.71562%0.624SS**SBendtrans-111.617.8-179.4-80.8-87.7000113.4L245 G246 A251L245-F249 HydrophobicContact CB-CD2 4.07Å; L245-F249 HydrophobicContact CB-CE2 4.47Å; L245-F249 WeakPolarHBondContact O-CD2 3.4Å; L245-F249 PolarHBondContact O-N 2.75Å; G246-F249 CarbonylContact O-C 3.4Å; G246-F249 PolarHBondContact O-N 2.75Å; F249-A251 PolarHBondContact O-N 3.4Å; F249-A251 VanDerWaalsContact O-N 3.11Å
250R74Confident67.1Low150 Ų150118.9 Ų118.957%0.56663%0.631SS**  trans-62.6114.7165.4-58.9-56.1175.5-161.2-10.1108.5E242 G246 D247 D252E242-R250 IonicContact OE1-NH1 3.91Å; G246-R250 VanDerWaalsContact O-CD 3.24Å; G246-R250 WeakPolarHBondContact O-CD 3.34Å; G246-R250 VanDerWaalsContact O-CG 3.31Å; G246-R250 WeakPolarHBondContact O-CG 3.49Å; G246-R250 PolarHBondContact O-N 2.87Å; G246-R250 PolarHBondContact O-NE 3.15Å; D247-R250 IonicContact OD1-CZ 3.81Å; D247-R250 IonicContact OD1-NE 2.9Å; D247-R250 PolarHBondContact OD1-NE 3.13Å; D247-R250 IonicContact OD1-NH2 3.57Å; D247-R250 PolarHBondContact OD1-NH2 3.3Å; R250-D252 PolarHBondContact O-N 3.2Å
251A59.3Low65.2Low93 Ų93121.8 Ų121.877%0.76965%0.647SS**  trans-65.1114.8162.800000107.4F249 E253F249-A251 PolarHBondContact O-N 3.4Å; F249-A251 VanDerWaalsContact O-N 3.11Å; A251-E253 PolarHBondContact O-N 3.41Å
252D54.9Low63.3Low108 Ų108126.6 Ų126.658%0.57867%0.672SS**  trans-67.9101.8173.6-177.515000108.7R250 F254 A255R250-D252 PolarHBondContact O-N 3.2Å; D252-F254 PolarHBondContact O-N 3.05Å; D252-F254 WeakPolarHBondContact OD1-CD2 3.48Å; D252-A255 VanDerWaalsContact O-CB 3.27Å; D252-A255 WeakPolarHBondContact O-CB 3.4Å; D252-A255 PolarHBondContact O-N 3.24Å
253E56.8Low61.4Low179 Ų179124 Ų12484%0.83667%0.668SS**G310 helixtrans-67.2-7.9-170.3-154.7166.5-158.500112.6A251 A255A251-E253 PolarHBondContact O-N 3.41Å; E253-A255 VanDerWaalsContact C-N 3.32Å
254F51.9Low59.5Low193 Ų193124.1 Ų124.185%0.84668%0.679SS**G310 helixtrans-79.8-6.3170.1-60.4-65000114.4D252 D256D252-F254 PolarHBondContact O-N 3.05Å; D252-F254 WeakPolarHBondContact OD1-CD2 3.48Å; F254-D256 VanDerWaalsContact C-N 3.25Å; F254-D256 PolarHBondContact O-N 3.3Å
255A51.2Low57.6Low77 Ų77124.9 Ų124.964%0.63669%0.691SS**G310 helixtrans-75.6-4.8-18000000114.9D252 E253 Q257D252-A255 VanDerWaalsContact O-CB 3.27Å; D252-A255 WeakPolarHBondContact O-CB 3.4Å; D252-A255 PolarHBondContact O-N 3.24Å; E253-A255 VanDerWaalsContact C-N 3.32Å; A255-Q257 PolarHBondContact O-N 3.42Å
256D50.6Low56Low140 Ų140125.5 Ų125.575%0.74970%0.702SS**  trans-80.548.1-166.6-159.335.3000115F254F254-D256 VanDerWaalsContact C-N 3.25Å; F254-D256 PolarHBondContact O-N 3.3Å
257Q50.3Low54.3Low184 Ų184133.4 Ų133.486%0.8674%0.741SS**SBendtrans-142.339.6173.5-72.2-58.6-51.300113.8A255A255-Q257 PolarHBondContact O-N 3.42Å
258S39.6Very low53.2Low102 Ų102139 Ų13971%0.71375%0.753SS**  trans-153.695.1166.2-168.30000114.4G260S258-G260 VanDerWaalsContact C-N 3.33Å; S258-G260 PolarHBondContact O-N 3.36Å
259P47.7Very low52.5Low145 Ų145140.6 Ų140.694%0.94276%0.757SS**  trans-81.473.3178.533.9-35.3000112
260G48.9Very low51.9Low50 Ų50141.9 Ų141.952%0.51576%0.763SS.*  trans153.998.4161.300000117.1S258S258-G260 VanDerWaalsContact C-N 3.33Å; S258-G260 PolarHBondContact O-N 3.36Å
261N44.8Very low51.1Low152 Ų152142 Ų14281%0.81377%0.774SS**  trans-17551.6130.9-99.9-51000113.5S263N261-S263 PolarHBondContact O-N 3.18Å
262L45.7Very low50.8Low186 Ų186146.4 Ų146.497%0.97478%0.776SS**  trans-77.548.1163.6-63-176.3000111.6S264L262-S264 PolarHBondContact O-N 3.31Å
263S45.4Very low50.6Low74 Ų74149.3 Ų149.352%0.51779%0.791SS.*  trans-78.4110.3171.4-179.90000108.5N261 S265N261-S263 PolarHBondContact O-N 3.18Å; S263-S265 VanDerWaalsContact C-N 3.28Å; S263-S265 PolarHBondContact O-N 3.25Å; S263-S265 PolarHBondContact O-OG 2.67Å
264S44.7Very low50.1Low130 Ų130147.9 Ų147.991%0.90979%0.789SS**THydrogen-bonded Turntrans-69.672.6-170.658.20000113.5L262L262-S264 PolarHBondContact O-N 3.31Å
265S46.1Very low49.9Very low95 Ų95142.4 Ų142.466%0.66479%0.787SS**THydrogen-bonded Turntrans-152.1-2.1-17758.40000115.8S263S263-S265 VanDerWaalsContact C-N 3.28Å; S263-S265 PolarHBondContact O-N 3.25Å; S263-S265 PolarHBondContact O-OG 2.67Å
266S50.5Low49.4Very low88 Ų88145.2 Ų145.262%0.61579%0.791SS**G310 helixtrans-881.3-169.559.30000116.2R268 R269S266-R268 PolarHBondContact O-N 2.69Å; S266-R269 PolarHBondContact O-N 3.39Å
267L49.9Very low49Very low177 Ų177141.9 Ų141.993%0.92779%0.789SS**G310 helixtrans-57.4-18.1-177-160.871000114.1
268R57.8Low48.4Very low238 Ų238138 Ų13890%0.89878%0.782SS**G310 helixtrans-93.89.2175-63.6-172.2177.9-167.5-0.9114.9S266S266-R268 PolarHBondContact O-N 2.69Å
269R61.3Low48.4Very low229 Ų229140.3 Ų140.386%0.86479%0.786SS**SBendtrans-136.747.4-175.3-64.7-169.2-174.5168.12.5114.2S266S266-R269 PolarHBondContact O-N 3.39Å
270K59.6Low47.8Very low189 Ų189138 Ų13882%0.82277%0.773SS**  trans-147.447.9162.1-153.7179.3-180-177.10112.5
271L57.3Low47.2Very low154 Ų154143.2 Ų143.281%0.80679%0.789SS**SBendtrans-99.74.3170.2-67.9178.7000113
272F52.4Low46.6Very low184 Ų184141.6 Ų141.681%0.80779%0.789SS**SBendtrans-122.1138170.2-55.9-68000108.3
273L49.6Very low46Very low170 Ų170140.4 Ų140.489%0.8978%0.783SS**  trans-75.3124.4162.2-67.1164.3000106.7G275L273-G275 PolarHBondContact O-N 3.32Å; L273-G275 VanDerWaalsContact O-N 3.11Å
274D47.4Very low46Very low149 Ų149143 Ų14380%0.79780%0.798SS**  trans-64.3114.9170.8-87.9-38.6000108.6N276D274-N276 PolarHBondContact O-N 2.88Å
275G48.1Very low45.2Very low78 Ų78142.4 Ų142.480%0.80479%0.794SS**  trans-73.240.2-172.900000114.4L273 G277L273-G275 PolarHBondContact O-N 3.32Å; L273-G275 VanDerWaalsContact O-N 3.11Å; G275-G277 VanDerWaalsContact C-N 3.28Å; G275-G277 PolarHBondContact O-N 3.48Å
276N40.8Very low44.4Very low136 Ų136142.3 Ų142.373%0.72780%0.799SS**  trans-95.143.4-178.2-73.590000112.4D274 S278D274-N276 PolarHBondContact O-N 2.88Å; N276-S278 PolarHBondContact O-N 2.91Å
277G41.9Very low43.4Very low69 Ų69143.4 Ų143.471%0.71181%0.807SS**  trans-69.269.3166.600000111.4G275 I279G275-G277 VanDerWaalsContact C-N 3.28Å; G275-G277 PolarHBondContact O-N 3.48Å; G277-I279 VanDerWaalsContact C-N 3.26Å; G277-I279 PolarHBondContact O-N 2.89Å
278S36.3Very low43.4Very low102 Ų102140.7 Ų140.771%0.71380%0.8SS**  trans-73.579.6176.1-173.50000110.2N276 S280N276-S278 PolarHBondContact O-N 2.91Å; S278-S280 PolarHBondContact O-N 3.31Å
279I40.9Very low42Very low152 Ų152133.1 Ų133.178%0.77980%0.796SS**  trans-54133.7166.154.7173.2000109.6G277G277-I279 VanDerWaalsContact C-N 3.26Å; G277-I279 PolarHBondContact O-N 2.89Å
280S34.7Very low40.6Very low97 Ų97128 Ų12868%0.67880%0.795SS**  trans-151.598.8176.8-73.70000108.3S278 S282S278-S280 PolarHBondContact O-N 3.31Å; S280-S282 PolarHBondContact O-N 3.46Å
281D35.6Very low39.9Very low159 Ų159123.5 Ų123.585%0.8579%0.785SS**  trans-63122.8-175.2-61.2-78.7000112.1
282S32.7Very low38.7Very low117 Ų117124.9 Ų124.982%0.81879%0.787SS**  trans-141.3110.816050.40000109.1S280S280-S282 PolarHBondContact O-N 3.46Å
283L33.1Very low37.6Very low161 Ų161121.5 Ų121.584%0.84379%0.786SS**  trans-71.8150.2-175.1-71.3169.3000111.7
284P44.9Very low36.6Very low129 Ų129116.4 Ų116.484%0.83878%0.775SS**  trans-70.2144.6-17829.6-35.8000112
285S29.1Very low35.8Very low118 Ų118115.8 Ų115.883%0.82578%0.776SS**  trans-128.7140.7174.9-166.40000112.7
286A28.7Very low35.2Very low93 Ų93120 Ų12077%0.76978%0.775SS**  trans-35.6157.2173.300000118.1
287S30.4Very low34.6Very low110 Ų110119.3 Ų119.377%0.76978%0.775SS**  cis-161.7-129.6-12.8-172.90000110.8
288P48.6Very low34.3Very low121 Ų121121.2 Ų121.279%0.78678%0.778SS**  trans-127.3172-130.742.1-23.6000117.7
289G28.2Very low34.3Very low79 Ų79123.9 Ų123.981%0.81478%0.784SS**  trans102.3160.3169.400000114.2
290S32.3Very low33.8Very low121 Ų121123.7 Ų123.785%0.84678%0.779SS**  cis-152.8179686.70000110.1
291P46Very low33.8Very low94 Ų94127.9 Ų127.961%0.6179%0.79SS**  trans-119.1-173.1-147.734.4-17.8000118
292H30.5Very low33.7Very low183 Ų183126.7 Ų126.785%0.84778%0.778SS**  trans74.1156.8178.5-41.3-73.6000114.2
293S29.6Very low33.6Very low113 Ų113132.3 Ų132.379%0.7978%0.783SS**  cis-143.5159.1-1.1-1750000106.1
294G28.5Very low33.6Very low63 Ų63129.3 Ų129.365%0.64978%0.776SS**  cis98.9122.327.900000111.1
295V31.8Very low33.5Very low136 Ų136130.7 Ų130.782%0.82477%0.774SS**  trans91.296.6171.3-168.80000119.5
296Q34.2Very low33.6Very low167 Ų167132.2 Ų132.278%0.7877%0.773SS**  43.9139.6128-60.8-170.5-5.900125.8
297T29.6Very low34Very low121 Ų121134.7 Ų134.774%0.74277%0.773SS**  trans88.4136.9134.441.20000124.9
298S35.4Very low34.2Very low110 Ų110134.6 Ų134.677%0.76977%0.772SS**  trans61.6104.114761.70000121.9
299L36.2Very low34Very low158 Ų158134.4 Ų134.483%0.82777%0.771SS**  -168.495.2114.9-164.372.4000107.8
300E30.7Very low34.3Very low148 Ų148136.7 Ų136.769%0.69277%0.769SS**  53.287.787.9-162.6176.3-177.200114.9F302E300-F302 HydrophobicContact CG-CD2 4.06Å; E300-F302 HydrophobicContact CG-CE2 3.9Å
301M33.3Very low34.1Very low184 Ų184140.3 Ų140.391%0.90677%0.769SS**  trans-141.1104.7146.9-177.3161.7-75.600109.2
302F33Very low33.2Very low135 Ų135142.1 Ų142.159%0.59278%0.783SS**  trans-60.1152.5163.7-68.1-85.5000109E300E300-F302 HydrophobicContact CG-CD2 4.06Å; E300-F302 HydrophobicContact CG-CE2 3.9Å
303Y31.2Very low33.1Very low234 Ų234144.9 Ų144.992%0.91879%0.786SS**  -141.2156.759.8-76.3-84.6000115.3
304S33Very low33Very low99 Ų99144.6 Ų144.669%0.69278%0.784SS**  trans-79.2153.8-170.3-44.30000114.8
305I43.8Very low33.5Very low157 Ų157147 Ų14781%0.80579%0.788SS**  trans-66.1141.6148.7-59.7160.3000108L307I305-L307 HydrophobicContact CG2-CD1 4.49Å
306D30.3Very low33.4Very low150 Ų150147.8 Ų147.880%0.80279%0.787SS**  trans-152.4165.4151.9-139.6-29.2000112.4
307L37.2Very low33.2Very low145 Ų145148.3 Ų148.376%0.75979%0.789SS**  trans-101168.7-159.1-7778000115.6I305I305-L307 HydrophobicContact CG2-CD1 4.49Å
308S35.2Very low33.4Very low109 Ų109148.5 Ų148.576%0.76279%0.791SS**  trans-57.5151.8175.8-1800000114.4V310S308-V310 PolarHBondContact OG-N 2.89Å
309P43.2Very low33.7Very low116 Ų116148.9 Ų148.975%0.75379%0.79SS**  -138.4122.4122.635.3-23.1000116.3
310V35.1Very low33.5Very low128 Ų128146.8 Ų146.878%0.77679%0.789SS**  trans19.3126.5140.5-1510000119.6S308S308-V310 PolarHBondContact OG-N 2.89Å
311K29.4Very low33.7Very low196 Ų196145.8 Ų145.885%0.85280%0.798SS**  139110.4115.1-162171-166.7170.80115.3
312C26.6Very low33.9Very low133 Ų133139.9 Ų139.990%0.89978%0.784SS**  trans-156.7164144.1-136.40000113.3
313R27.5Very low34.2Very low240 Ų240142.5 Ų142.591%0.90680%0.798SS**  trans-67.7150.1-170.8-84.4176.5167.3152.9-7.1114.8
314S28Very low34.1Very low108 Ų108141.4 Ų141.476%0.75580%0.799SS**  trans-78.6159.5150.760.50000110.5
315P38.2Very low34.4Very low113 Ų113142.3 Ų142.373%0.73481%0.805SS**  -146.2161.888.139-23.3000116.4
316L30.2Very low33.8Very low153 Ų153140 Ų14080%0.80180%0.803SS**  trans71.4124.7154.3-103.169.2000122
317Q30.8Very low34Very low177 Ų177137.8 Ų137.883%0.82780%0.799SS**  trans84.9101.2134.1-138.4154.322.300120.6
318T34Very low34.1Very low126 Ų126137.2 Ų137.277%0.77380%0.804SS**  trans-76179.4153.251.30000110.2
319P41.3Very low34.1Very low118 Ų118139.6 Ų139.677%0.76681%0.807SS**  cis-139.1167.97.742.8-25.6000117.7
320S32.5Very low34Very low113 Ų113142.9 Ų142.979%0.7981%0.812SS**  trans-174.6123.3132.228.30000108.4
321S34.8Very low34.1Very low127 Ų127141.6 Ų141.689%0.88882%0.815SS**  66.3110.589.6-160.40000113
322G36.7Very low34.5Very low60 Ų60138 Ų13862%0.61982%0.815SS**  trans-102.4153.9-169.700000114.8
323Q38.2Very low35.1Very low190 Ų190136.1 Ų136.189%0.88881%0.808SS**  trans-135.176.7161.4-76.1-167.9-23.200109.8S325Q323-S325 PolarHBondContact O-N 3.38Å; Q323-S325 VanDerWaalsContact O-N 3.16Å
324F31.1Very low35.7Very low212 Ų212134.7 Ų134.793%0.9381%0.809SS**  trans-8185.3171.1-74.2-70.1000110.8
325S37.7Very low36.7Very low117 Ų117138.6 Ų138.682%0.81881%0.812SS**  trans-87.3100.6158.546.30000109.2Q323 S327Q323-S325 PolarHBondContact O-N 3.38Å; Q323-S325 VanDerWaalsContact O-N 3.16Å; S325-S327 PolarHBondContact O-N 3.45Å
326S32.7Very low36.5Very low110 Ų110145 Ų14577%0.76982%0.823SS**  trans-80110.5-174.840.80000112.8
327S32.8Very low36.9Very low103 Ų103143.1 Ų143.172%0.7282%0.823SS**  trans-168.8111.8155.1-84.40000111.8S325 I329S325-S327 PolarHBondContact O-N 3.45Å; S327-I329 PolarHBondContact O-N 2.85Å
328P39.1Very low37.2Very low132 Ų132143.3 Ų143.386%0.85783%0.828SS**  trans-75108.8170-11.527.9000110.4Q330P328-Q330 PolarHBondContact O-N 3.27Å
329I36.3Very low37.2Very low159 Ų159141 Ų14182%0.81583%0.829SS**  trans-78.9115.2173.5-61.2177.6000108.9S327 A331S327-I329 PolarHBondContact O-N 2.85Å; I329-A331 PolarHBondContact O-N 2.95Å
330Q41.9Very low36.8Very low186 Ų186141 Ų14187%0.86983%0.832SS**  trans-66113.7173.5-70.7-174.5-5.500110.6P328 S332P328-Q330 PolarHBondContact O-N 3.27Å; Q330-S332 PolarHBondContact O-N 3.4Å; Q330-S332 VanDerWaalsContact O-N 3.07Å
331A36Very low36.8Very low101 Ų101143.1 Ų143.184%0.83583%0.833SS**  trans-75.395.7179.600000111.3I329I329-A331 PolarHBondContact O-N 2.95Å
332S39Very low36.7Very low121 Ų121143.4 Ų143.485%0.84683%0.83SS**  trans-75.2124.8170.965.90000110.9Q330Q330-S332 PolarHBondContact O-N 3.4Å; Q330-S332 VanDerWaalsContact O-N 3.07Å
333A38.8Very low36.7Very low92 Ų92145.8 Ų145.876%0.7684%0.837SS**  trans-82.4127.3-170.800000113.3
334K38.8Very low37.1Very low211 Ų211142.3 Ų142.392%0.91783%0.831SS**  trans-151.8147.6147.1-101.2126.3-170.3176.50111.1
335K48.9Very low37.4Very low190 Ų190137.4 Ų137.483%0.82682%0.823SS**  trans-92.4138.9-172.6-51.9166.9-176.3175.70109.7
336Y35Very low37.5Very low246 Ų246137.3 Ų137.397%0.96582%0.819SS**  -153.1153.6129.1-80.2-58.6000109
337S38.4Very low37.6Very low114 Ų114139 Ų13980%0.79782%0.819SS**  trans-146.5136.5-175.8177.40000109.1
338L37.6Very low37.7Very low181 Ų181139.4 Ų139.495%0.94882%0.821SS**  trans178.1148.4158.3-101.9158.3000109.7
339G32.8Very low37.3Very low77 Ų77138 Ų13879%0.79482%0.815SS**  trans107.566.3161.500000117.9
340S33.5Very low37.3Very low118 Ų118136.5 Ų136.583%0.82582%0.815SS**  trans-85.6148.3157.1-53.80000111
341I32.2Very low36.9Very low159 Ų159134.1 Ų134.182%0.81581%0.814SS**  trans-158.7147136.429.2172.7000112.3
342T33.4Very low37Very low132 Ų132138.4 Ų138.481%0.8181%0.814SS**  trans53.2102.6156.653.40000120.3
343S35.6Very low36.7Very low110 Ų110138.1 Ų138.177%0.76981%0.811SS**  trans-83179.8142.173.60000109.2
344P46.3Very low36.7Very low117 Ų117139.6 Ų139.676%0.7681%0.813SS**  cis-133.5168.834.741.4-23.6000117.8
345S37.6Very low36.4Very low109 Ų109137.6 Ų137.676%0.76281%0.811SS**  trans-72.5173.9168.7-24.10000112.1
346P41.4Very low35.5Very low115 Ų115136.2 Ų136.275%0.74781%0.807SS**  -134.1-163.552.429.5-3.6000112.5
347I33.8Very low35.5Very low147 Ų147133.9 Ų133.975%0.75480%0.803SS**  cis-154.215819.2-7.9177.9000112.2
348S34.1Very low35.4Very low110 Ų110136.7 Ų136.777%0.76980%0.803SS**  trans54.4116.1148.3-57.90000122.1
349S31.5Very low35.3Very low104 Ų104136.2 Ų136.273%0.72780%0.8SS**PPolyproline II helixtrans-62156.9155.5-43.70000112.6
350P36.1Very low35.2Very low126 Ų126135.5 Ų135.582%0.81879%0.792SS**PPolyproline II helixtrans-73.5131.6168.330.7-33.5000111.5
351T34.3Very low35.3Very low137 Ų137138.8 Ų138.884%0.8480%0.795SS**PPolyproline II helixtrans-88.7130.9175.7-64.90000110.6
352F36.8Very low35.5Very low191 Ų191137.7 Ų137.784%0.83880%0.796SS**PPolyproline II helixtrans-67.1149.6168-73.4-101.4000111.4
353S33Very low35.6Very low114 Ų114137.1 Ų137.180%0.79779%0.794SS**  175.4173.5125.5-80.30000110
354P38.8Very low35.3Very low123 Ų123139.3 Ų139.380%0.79980%0.796SS**  trans-89.1175.3-165.316.5-0.9000113.4
355I32.3Very low34.8Very low169 Ų169138.5 Ų138.587%0.86779%0.793SS**  trans-109.4118.4165-66.5-178.7000109.6
356E31.1Very low34.5Very low161 Ų161142.7 Ų142.775%0.75280%0.801SS**  trans-77.2150.9172.6-173.2-179.114700110.4
357F33.8Very low34.1Very low198 Ų198145 Ų14587%0.86880%0.802SS**  trans-77.2126.5178.8-82.4-95000111.7
358Q36.9Very low34Very low172 Ų172148.4 Ų148.480%0.80481%0.805SS**  trans-135.3149.4157.8-65.7-166.714.900111
359I36.2Very low34Very low171 Ų171151.8 Ų151.888%0.87781%0.806SS**  trans-86.1147.6-178.1-101.965.1000110.5
360G30.6Very low34.1Very low62 Ų62156.2 Ų156.264%0.63981%0.813SS**  trans173.1115.5165.500000115.7
361E35.6Very low33.8Very low187 Ų187155.4 Ų155.487%0.87481%0.806SS**  trans43.2124.3148.5-56.8-62.391.900120.8
362T36.3Very low33.7Very low137 Ų137154.8 Ų154.884%0.8480%0.802SS**  trans-104.9146.5166.954.40000112.6
363P35.6Very low33.5Very low120 Ų120154.1 Ų154.178%0.77980%0.8SS**  trans-117.1113.4148.232.8-23000110
364L29.2Very low33.6Very low155 Ų155153.7 Ų153.781%0.81280%0.798SS**  71.7100.291.2-103.1167.7000115
365S34.9Very low34.2Very low100 Ų100153.6 Ų153.670%0.69980%0.797SS**  trans18.9134.9151.7640000121.5
366E32.7Very low34.1Very low198 Ų198153.3 Ų153.393%0.92580%0.797SS**  -147.7177.9124.4-126.5176.5-133.700112.3
367Q32.5Very low34.1Very low164 Ų164149.7 Ų149.777%0.76680%0.795SS**  trans-111.5158.2-155.1-54.7-178.84.400115.8
368R31.2Very low34Very low217 Ų217145.7 Ų145.782%0.81979%0.791SS**  107.3132.1124.9-142.2175.6-151.1172.78.4119.9
369K34Very low33.8Very low181 Ų181143.3 Ų143.379%0.78779%0.794SS**  trans70.5110.1152.7-101.4-171.3173.4-167.20120.1
370F34.5Very low33.4Very low197 Ų197138.2 Ų138.286%0.86478%0.783SS**  trans-71.7154143.9-65.4-93000111.1
371T29.7Very low33.3Very low109 Ų109141.5 Ų141.567%0.66979%0.791SS**  trans-140.3136.6153.1-59.50000107.4
372V32.5Very low33.1Very low125 Ų125139.6 Ų139.676%0.75879%0.787SS**  trans-119.2136-178.8-168.60000108.5
373H31.3Very low33Very low176 Ų176136.9 Ų136.982%0.81577%0.774SS**  trans-141.4130.1168.1-81.7-68000111.8
374S35.7Very low32.9Very low106 Ų106138.8 Ų138.874%0.74178%0.777SS**  trans-107.7149.5166.4-171.20000109
375P52.1Low32.9Very low121 Ų121134.8 Ų134.879%0.78677%0.773SS**  trans-114.9126.8168.935.3-23.4000112.7
376D29.8Very low33Very low162 Ų162137.6 Ų137.687%0.86678%0.779SS**  trans-98.9157.3169.5-102.2-54.3000112.8
377A30.9Very low33.2Very low85 Ų85135 Ų13570%0.70278%0.776SS**  trans-22.5139-17900000120.8
378S32.3Very low33.3Very low114 Ų114134 Ų13480%0.79778%0.777SS**  156.4159.792.260.60000116.4
379S32.2Very low33.9Very low123 Ų123129.2 Ų129.286%0.8677%0.774SS**  trans70145.7155.9-155.70000119.9
380G27.1Very low33.8Very low63 Ų63126.8 Ų126.865%0.64978%0.778SS**  trans-175-57.4167.900000122.3
381T29.4Very low33.9Very low132 Ų132125.5 Ų125.581%0.8178%0.778SS**  trans73.3143.8-178.5-43.50000117.8
382N32.1Very low34.1Very low146 Ų146131.9 Ų131.978%0.78179%0.79SS**  trans75.4158.4166.793.768.9000119.2
383S33.4Very low34.2Very low80 Ų80130.7 Ų130.756%0.55979%0.788SS**  -163.1148.4-51.555.10000112.3
384N33.6Very low34.9Very low161 Ų161127.7 Ų127.786%0.86178%0.783SS**  trans69.3138.3164-48.3-36.6000117.8
385G30.1Very low34.8Very low70 Ų70132 Ų13272%0.72279%0.785SS**  trans169.810.4171.900000124.3
386I35.3Very low34.3Very low160 Ų160133.8 Ų133.882%0.82179%0.786SS**  trans64.3115.7171.7-52.3170000116.4
387T36.8Very low35Very low142 Ų142132.1 Ų132.187%0.87178%0.777SS**  trans-130.8138.2160.9-38.10000109.5
388N35.1Very low35.7Very low145 Ų145131 Ų13178%0.77577%0.774SS**  trans-79.6151.6-174.7-86.5-66.1000113.6
389P43.6Very low35.8Very low116 Ų116131.6 Ų131.675%0.75378%0.777SS**  trans-91.1127.7-173.334.3-33000112.9
390C32.7Very low36Very low129 Ų129131.1 Ų131.187%0.87277%0.774SS**  trans-155.833171.2-141.70000117.1
391I36.7Very low36.5Very low171 Ų171133.7 Ų133.788%0.87778%0.779SS**  trans-128.9101.3163.3-53.2179.6000108.9
392R33.1Very low36.8Very low242 Ų242134.6 Ų134.691%0.91378%0.777SS**  trans-139.286.1173.2-175176.4-179.4151.71.5109.8
393S34.8Very low37Very low101 Ų101136 Ų13671%0.70678%0.776SS**PPolyproline II helixtrans-68.3143.116042.20000109.6
394P47Very low37Very low112 Ų112139.1 Ų139.173%0.72779%0.786SS**PPolyproline II helixtrans-74.4130.2172.129.9-32.3000110.2I396P394-I396 PolarHBondContact O-N 3.19Å
395Y33Very low36.8Very low198 Ų198142.2 Ų142.278%0.77679%0.786SS**PPolyproline II helixtrans-65.1126.3168.1-174.2-95.5000109.1D397Y395-D397 HydrophobicContact CD1-CB 4.22Å; Y395-D397 HydrophobicContact CE1-CB 3.8Å
396I42Very low36.8Very low158 Ų158144 Ų14481%0.8179%0.788SS**  trans-108120.7164.4-64.3-178.1000106.5P394P394-I396 PolarHBondContact O-N 3.19Å
397D42.9Very low36.7Very low126 Ų126142.5 Ų142.567%0.67479%0.788SS**  trans-80.8158-178-166.17.5000111.3Y395Y395-D397 HydrophobicContact CD1-CB 4.22Å; Y395-D397 HydrophobicContact CE1-CB 3.8Å
398G46Very low36.3Very low62 Ų62144.6 Ų144.664%0.63979%0.79SS**  trans87.657.8168.300000116.9
399C34.6Very low36.2Very low127 Ų127148.6 Ų148.686%0.85880%0.795SS**  trans-140.6109.5156.5-87.10000109.8P401C399-P401 WeakPolarHBondContact O-CD 3.47Å
400S37.5Very low35.7Very low113 Ų113150.8 Ų150.879%0.7980%0.799SS**  trans-97.7111.5-179.4-60.10000111.6I402S400-I402 PolarHBondContact O-N 2.77Å
401P37.7Very low35.5Very low117 Ų117152.6 Ų152.676%0.7680%0.795SS**  trans-78.1113163.41.417.5000107.9C399 K403C399-P401 WeakPolarHBondContact O-CD 3.47Å; P401-K403 VanDerWaalsContact C-N 3.33Å; P401-K403 PolarHBondContact O-N 3.48Å
402I35.6Very low35.2Very low150 Ų150152.3 Ų152.377%0.76979%0.792SS**  trans-73.588.3178.9-55.1176.2000108.8S400S400-I402 PolarHBondContact O-N 2.77Å
403K35Very low35.2Very low177 Ų177151.4 Ų151.477%0.7779%0.79SS**  trans-103.476.1178.7-167170.4-176.7172.20111.2P401 W405P401-K403 VanDerWaalsContact C-N 3.33Å; P401-K403 PolarHBondContact O-N 3.48Å; K403-W405 VanDerWaalsContact C-N 3.27Å; K403-W405 PolarHBondContact O-N 2.85Å
404N32.9Very low35.1Very low144 Ų144153 Ų15377%0.7780%0.801SS**  trans-7575.6174.7-76.7-5.1000111.6
405W30.3Very low34.2Very low227 Ų227151.3 Ų151.386%0.8680%0.804SS**  trans-137.694.7167.5-76.8103000110.1K403K403-W405 VanDerWaalsContact C-N 3.27Å; K403-W405 PolarHBondContact O-N 2.85Å
406S31.1Very low34.1Very low108 Ų108145.6 Ų145.676%0.75581%0.806SS**  trans-101.7112.3178.255.60000111.4M408S406-M408 PolarHBondContact O-N 3.05Å; S406-M408 VanDerWaalsContact O-N 3.11Å
407P32.8Very low33.7Very low127 Ų127144.6 Ų144.683%0.82581%0.807SS**  trans-77.896.4175.330.7-32.9000110.3R409P407-R409 PolarHBondContact O-N 3.25Å
408M27.9Very low33.3Very low186 Ų186147.3 Ų147.392%0.91682%0.816SS**  trans-75.296.2-179.9-164.365.7176.800111S406S406-M408 PolarHBondContact O-N 3.05Å; S406-M408 VanDerWaalsContact O-N 3.11Å
409R33.2Very low32.6Very low230 Ų230155.2 Ų155.287%0.86883%0.828SS**  trans-75139.5179.4176.8173.1164.5171.3-5111.6P407 Q411P407-R409 PolarHBondContact O-N 3.25Å; R409-Q411 PolarHBondContact O-N 3.34Å
410L32.8Very low32.4Very low161 Ų161159.8 Ų159.884%0.84383%0.827SS**  trans-56.1127.3-179.5-161.384.1000113.1
411Q28.6Very low32Very low168 Ų168161.3 Ų161.379%0.78583%0.831SS**  trans-145.6140.1159-172.4164.42.700110.2R409R409-Q411 PolarHBondContact O-N 3.34Å
412M31.3Very low31.7Very low165 Ų165159.7 Ų159.781%0.81382%0.823SS**  trans-88.3142.6-172.7-49-153.886.900112.7
413Y31.6Very low31.5Very low223 Ų223159.2 Ų159.288%0.87583%0.827SS**  trans-131.9144.5154.8-88.8-83.2000109.9
414S32.5Very low31.3Very low133 Ų133157.9 Ų157.993%0.9383%0.826SS**  trans-98140.6-179.4-1740000110.8
415G29.4Very low31Very low78 Ų78159.4 Ų159.480%0.80483%0.829SS**  trans149.6104.7-178.500000109.5
416G30.8Very low31.1Very low78 Ų78155.2 Ų155.280%0.80482%0.822SS**  trans-120.2162.9-16900000114.6
417T33Very low31.1Very low136 Ų136155.4 Ų155.483%0.83482%0.821SS**  trans-142.7149.3157.525.20000108.4
418Q34.4Very low30.8Very low184 Ų184158.6 Ų158.686%0.8682%0.822SS**  trans-93.6126.6-173.9-61175.88.700111
419Y31.4Very low30.8Very low227 Ų227156.6 Ų156.689%0.8982%0.821SS**  trans-131.2145.4153.2-75.5-74.3000109.9
420R30.3Very low30.8Very low224 Ų224151.3 Ų151.385%0.84581%0.809SS**  trans-132.7113.9-157.8175-165.2-177.4-1564.1109.2
421T28.8Very low30.6Very low144 Ų144147.8 Ų147.888%0.88379%0.788SS**  trans-125.7122.5171.6-44.50000107.9
422S32Very low30.6Very low84 Ų84145 Ų14559%0.58778%0.783SS**  trans-83.6138.5-173.3-57.30000111.7
423V30.8Very low30.4Very low140 Ų140146.6 Ų146.685%0.84879%0.788SS**  trans-68.1136.2159.3177.40000108.3
424I31.5Very low30.1Very low148 Ų148139.6 Ų139.676%0.75978%0.783SS**  trans-120.6131.7164.7-65.2-179.4000107.4
425Q27.2Very low30Very low176 Ų176142 Ų14282%0.82278%0.78SS**  trans-109.2133.5-175179.1-179300108
426I31.3Very low30Very low140 Ų140145.9 Ų145.972%0.71878%0.783SS**  trans-120.1126174.4-57.4-180000107.2
427P30.7Very low30.3Very low111 Ų111150.6 Ų150.672%0.72178%0.784SS**  trans-81.3161.4-178.734.3-35.5000112
428F27.2Very low30.5Very low194 Ų194152.6 Ų152.685%0.85178%0.783SS**  trans-120.8145.4174.126.8-100.7000109.4
429T27.2Very low30.4Very low145 Ų145150.2 Ų150.289%0.8978%0.776SS**  trans-132.4155.6173.446.50000109.5
430L33.7Very low30.6Very low118 Ų118146.2 Ų146.262%0.61876%0.764SS**  trans-116165-161.3-165.675.2000111.1
431E28.4Very low30.8Very low87 Ų87142.1 Ų142.141%0.40775%0.754SS.*  trans143.9179.2134.1-67-119.2-159.800114.6K524 E525E431-K524 WeakPolarHBondContact OE1-CA 3.2Å; E431-K524 PolarHBondContact OE1-N 2.93Å; E431-E525 HydrophobicContact CB-CB 4.37Å; E431-E525 HydrophobicContact CB-CG 3.6Å; E431-E525 VanDerWaalsContact CD-N 3.34Å; E431-E525 HydrophobicContact CG-CB 4.24Å; E431-E525 HydrophobicContact CG-CG 3.93Å; E431-E525 PolarHBondContact OE1-N 3.3Å
432T28.3Very low30.8Very low111 Ų111141 Ų14168%0.68174%0.743SS**  trans-152.5150.3-134.1-13.60000115.1
433Q27.1Very low30.7Very low198 Ų198144 Ų14493%0.92575%0.751SS**  trans68.7152.3166-64.1-169.9-1400119.2
434G26.6Very low31.5Very low75 Ų75142.3 Ų142.377%0.77374%0.742SS**  trans160.269.617600000117.4
435E29Very low31.4Very low184 Ų184140 Ų14086%0.8674%0.74SS**  trans11.7147.8152.5-62.1169.5168.500124.9
436D31.1Very low31.4Very low160 Ų160137.6 Ų137.686%0.85674%0.737SS**  trans79.3172.8144.6-76.417.8000124.8
437E36.1Very low31.2Very low177 Ų177137.5 Ų137.583%0.82774%0.738SS**  trans-113.8171.1-146.9-74.3-164.2133.200117.7
438E36.2Very low31.1Very low177 Ų177137.8 Ų137.883%0.82774%0.738SS**  trans65.2111.6150.6-79.3-165.9164.700123.7
439D33.4Very low31.1Very low134 Ų134133.5 Ų133.572%0.71773%0.732SS**  91146.3127.4-150.627.1000123.4
440K35.7Very low31.1Very low144 Ų144131.6 Ų131.663%0.62672%0.724SS**  trans69.8108.3153.4-93.9168.6-174.8-70.80125.7
441E34.2Very low31.7Very low138 Ų138131.8 Ų131.865%0.64573%0.733SS**  70.6127.8120.4-90.5-172.296.500124.7
442N28.8Very low31.7Very low120 Ų120131.2 Ų131.264%0.64274%0.743SS**  trans79.3104.6146.8-64.2-50.9000123.3
443I29.8Very low31.9Very low147 Ų147134.7 Ų134.775%0.75475%0.753SS**  trans-4.5160.213248.9164.8000120.7
444P48.3Very low31.9Very low104 Ų104132.6 Ų132.668%0.67575%0.749SS**  cis-146.5-170.4-29.639.2-19.1000115.9
445S28.6Very low32.1Very low100 Ų100132.9 Ų132.970%0.69974%0.743SS**  trans99.1133.8138.3-72.60000124.3
446T28.1Very low32.2Very low126 Ų126129.5 Ų129.577%0.77375%0.747SS**  trans77.8137.2134.6-66.90000117.9
447D26.2Very low32Very low137 Ų137125.6 Ų125.673%0.73375%0.745SS**  cis-158176.911.1-143.6-15.2000114.4
448V29.1Very low31.9Very low118 Ų118125 Ų12572%0.71575%0.746SS**  trans55137.8144.3155.60000120.8
449S28Very low31.4Very low104 Ų104125 Ų12573%0.72775%0.745SS**  cis-167.4156.3-12.9590000112
450S25.8Very low31.2Very low105 Ų105125 Ų12573%0.73475%0.745SS**  trans-84.7-170.8163640000111.1
451P47.6Very low30.7Very low122 Ų122129.2 Ų129.279%0.79276%0.756SS**  cis-126.7-152.12.634.3-8.8000111.5
452A28Very low30.6Very low74 Ų74129.5 Ų129.561%0.61276%0.758SS**  cis-162.6168.710.400000113
453M32Very low30.5Very low185 Ų185131.8 Ų131.891%0.91176%0.762SS**  trans39147.1135.7-67174.9-16500122.2
454D27.2Very low30.4Very low154 Ų154128.6 Ų128.682%0.82475%0.753SS**  cis-173.3179.7-12.1-174.821.3000108.6
455A30.3Very low29.3Very low80 Ų80129.5 Ų129.566%0.66175%0.752SS**  trans80.5100.4157.500000121.2
456A30.8Very low29.4Very low113 Ų113133.1 Ų133.193%0.93476%0.758SS**  trans16137.1138.500000122.9
457G27.4Very low29.5Very low79 Ų79131.5 Ų131.581%0.81476%0.758SS**  trans-165.9130.7161.300000114.1
458I33.4Very low29.6Very low165 Ų165129.9 Ų129.985%0.84676%0.757SS**  trans-117.5126.2-178.6-56.6163.2000109.3
459H26.9Very low29.8Very low175 Ų175129.2 Ų129.281%0.8175%0.754SS**  -170.2145.2126.8-134.5-94.2000117.9
460L29.3Very low29.9Very low135 Ų135133.4 Ų133.471%0.70776%0.761SS**  trans-60.6140.4164.2170.280.6000114.1
461R25.8Very low30Very low232 Ų232132.4 Ų132.488%0.87577%0.767SS**  trans-151.9150.6139.3-146.2169.7-172.1-98.61.6113.7
462Q31.2Very low29.4Very low144 Ų144133.3 Ų133.367%0.67377%0.771SS**  trans-115.5-176.3-175.8-178.4-179.80.700110
463F26.6Very low29.5Very low168 Ų168137.9 Ų137.974%0.73778%0.779SS**  trans94.1143.3166-68-102.1000116.8
464S27.2Very low29.6Very low81 Ų81135.1 Ų135.157%0.56677%0.768SS**  cis-176.3-176.8-19.258.50000112
465N26.5Very low29.7Very low122 Ų122134.1 Ų134.165%0.65277%0.767SS**  trans79.1123.3157.8-6723.9000116.5
466E30.9Very low29.9Very low176 Ų176136.2 Ų136.282%0.82277%0.771SS**  71.3140.274.6-69.9-177.313800113.7
467A29.4Very low29.7Very low93 Ų93137.1 Ų137.177%0.76977%0.765SS**  cis-170.4-168.7-13.800000109.6
468S28.5Very low29.7Very low103 Ų103137.3 Ų137.372%0.7276%0.759SS**  trans97.397152.7-137.80000122.2
469T32.6Very low29.4Very low104 Ų104138.8 Ų138.864%0.63877%0.765SS**  60.7123.712360.20000125.3
470H31.2Very low29.4Very low192 Ų192135.5 Ų135.589%0.88976%0.761SS**  trans59.3135.6133.5-59.4-57.6000123.1
471G27.2Very low29.3Very low83 Ų83135.1 Ų135.186%0.85676%0.764SS**  trans167.498.1161.100000117.6
472T34.3Very low29.6Very low142 Ų142129.1 Ų129.187%0.87175%0.753SS**  trans-65.1136.3-176.827.60000119.7
473H31.1Very low29.6Very low169 Ų169129.8 Ų129.878%0.78276%0.756SS**  83.2126.5122.5-154.1-126.2000124.1
474L34Very low29.7Very low128 Ų128127.9 Ų127.967%0.6775%0.754SS**  trans60.6130.2149.7-105.7-175.1000123.5
475V29.8Very low29.8Very low133 Ų133132 Ų13281%0.80676%0.764SS**  169.6155.6117.3155.40000111.7
476V33.1Very low29.9Very low123 Ų123131 Ų13175%0.74577%0.767SS**  trans-104.6142.8-175.4174.60000113
477T27.4Very low29.8Very low133 Ų133127.8 Ų127.882%0.81676%0.764SS**  trans-168.7115.7155-73.80000106.5
478A27.3Very low29.7Very low83 Ų83127.5 Ų127.569%0.68676%0.761SS**  cis88.8114.24800000114.5
479M27Very low29.8Very low196 Ų196127.4 Ų127.497%0.96676%0.761SS**  trans-143.1164.9161.6-75.5-156.574.600109.3
480S27.6Very low29.6Very low105 Ų105129.2 Ų129.273%0.73476%0.762SS**  trans-156.9-173.2-162.259.20000113.4
481V27.4Very low29.6Very low127 Ų127128.6 Ų128.677%0.7776%0.757SS**  trans77.9129.4169.21710000114.9
482T31.6Very low29.5Very low106 Ų106132.8 Ų132.865%0.6575%0.754SS**  cis-159.7134-6.218.90000109.9
483Q32.2Very low29.2Very low158 Ų158133.5 Ų133.574%0.73875%0.752SS**  71.4120.298.7-172.4-171.1-25.100118.3
484N26.7Very low28.9Very low128 Ų128129.7 Ų129.768%0.68475%0.75SS**  trans154.9128.8141.1-86.6-42.7000110.7
485Q30.4Very low28.5Very low167 Ų167131.3 Ų131.378%0.7876%0.758SS**  cis-144171.2-14-73.1-167.52.400111.7
486S29.3Very low28.5Very low103 Ų103133 Ų13372%0.7276%0.762SS**  trans-51.9174.8-179.963.50000117.1
487S28.8Very low28.6Very low108 Ų108136 Ų13676%0.75577%0.768SS**  cis-169.6172.121.9-4.30000110.2
488A27.2Very low28.6Very low86 Ų86137 Ų13771%0.71177%0.768SS**  cis179.3159.5-27.600000110
489S30.5Very low29Very low101 Ų101138.2 Ų138.271%0.70677%0.767SS**  trans64.2164.7165.6-730000119.2
490E27.2Very low29.4Very low143 Ų143136.8 Ų136.867%0.66876%0.757SS**  cis-155.2142-32.9-109.2165134.200107.8
491K30.6Very low29.7Very low178 Ų178143 Ų14377%0.77477%0.765SS**  46.2134.797.3-54.9-177.3-165.3160.30117.7
492E25.6Very low30.1Very low172 Ų172145 Ų14580%0.80477%0.766SS**  trans90.896.7147.6-153.7156.6174.900121.2
493L27.8Very low30.5Very low156 Ų156147.5 Ų147.582%0.81777%0.768SS**  trans54126.4135.1-64.2175.5000124.1
494A25Very low30.8Very low90 Ų90146.2 Ų146.274%0.74477%0.766SS**  trans92.4137.4132.100000122
495L26.3Very low31.7Very low162 Ų162144.8 Ų144.885%0.84876%0.758SS**  trans51.4113.9163.7-97.664.9000117.3
496L30.1Very low32.2Very low167 Ų167144 Ų14487%0.87476%0.759SS**  -153.116168.7-87.8164.7000113.1
497Q33.8Very low32.6Very low187 Ų187144 Ų14487%0.87476%0.756SS**  trans-76.9155.1163.7-66.6167-47.800109.3
498D28.6Very low33.4Very low153 Ų153144.4 Ų144.482%0.81875%0.753SS**  -179.4176.983.1-165.511.1000111.7
499V35.1Very low33.9Very low109 Ų109146 Ų14666%0.66175%0.75SS**  trans77.185.2167.6-164.80000118.4
500E34.8Very low34.9Very low166 Ų166148.8 Ų148.878%0.77675%0.753SS**  30120.6128.8-58.6-179.2140.800121
501R35.4Very low35.6Very low236 Ų236146.7 Ų146.789%0.89175%0.75SS**  -159.1114.5103-112167.7-63.6110.511.6112.7
502E34.6Very low36.2Very low168 Ų168145 Ų14579%0.78575%0.749SS**  trans-70.2141.4173.1-162.5157.4-131.100110.2D504E502-D504 WeakPolarHBondContact CG-OD1 3.26Å
503K41.2Very low37Very low159 Ų159142.8 Ų142.869%0.69175%0.75SS**  trans-143.577.5179.2-168.3-161.1-177.8-126.50110N505K503-N505 WeakPolarHBondContact CE-OD1 3.33Å; K503-N505 PolarHBondContact NZ-OD1 3.09Å; K503-N505 PolarHBondContact O-N 3.22Å; K503-N505 PolarHBondContact O-ND2 2.89Å
504D37.4Very low37.4Very low131 Ų131142 Ų14270%0.70175%0.745SS**  trans-73.886.9-174.9-58.6-31.4000112.2E502 N506E502-D504 WeakPolarHBondContact CG-OD1 3.26Å; D504-N506 PolarHBondContact O-N 3.45Å
505N45.8Very low38.3Very low99 Ų99146.8 Ų146.853%0.52975%0.752SS.*  trans-82.365.9173.4-42.7-78.7000109.6K503 T507K503-N505 WeakPolarHBondContact CE-OD1 3.33Å; K503-N505 PolarHBondContact NZ-OD1 3.09Å; K503-N505 PolarHBondContact O-N 3.22Å; K503-N505 PolarHBondContact O-ND2 2.89Å; N505-T507 PolarHBondContact O-N 3.16Å
506N42.1Very low38.7Very low150 Ų150145.2 Ų145.280%0.80274%0.743SS**  trans-76.756.3165.5-171.352.5000110.6D504D504-N506 PolarHBondContact O-N 3.45Å
507T36.6Very low39.4Very low104 Ų104141.4 Ų141.464%0.63874%0.736SS**  trans-92.7109.3166.8-54.40000106.4N505 D509N505-T507 PolarHBondContact O-N 3.16Å; T507-D509 HydrophobicContact CG2-CB 4.25Å; T507-D509 PolarHBondContact O-N 2.92Å
508V45.2Very low39.4Very low116 Ų116138.9 Ų138.970%0.70373%0.728SS**  trans-73.588.9158.7178.30000105.6M510V508-M510 HydrophobicContact CG1-SD 4.25Å; V508-M510 PolarHBondContact O-N 2.85Å
509D37.7Very low39.8Very low119 Ų119139.9 Ų139.964%0.63673%0.728SS**  trans-70110.3175.9-164.66.5000107.7T507 V511T507-D509 HydrophobicContact CG2-CB 4.25Å; T507-D509 PolarHBondContact O-N 2.92Å; D509-V511 HydrophobicContact CB-CG2 4.05Å; D509-V511 PolarHBondContact O-N 2.9Å
510M52Low39.6Very low160 Ų160140.8 Ų140.879%0.78873%0.734SS**  trans-79.467.6175.5-71.3-62.8-57.400108.1V508 D512V508-M510 HydrophobicContact CG1-SD 4.25Å; V508-M510 PolarHBondContact O-N 2.85Å; M510-D512 PolarHBondContact O-N 3.26Å; M510-D512 VanDerWaalsContact O-N 3.09Å
511V42.1Very low39.5Very low99 Ų99138.5 Ų138.560%0.673%0.732SS**  trans-60.6110.5175.7177.80000108.1D509D509-V511 HydrophobicContact CB-CG2 4.05Å; D509-V511 PolarHBondContact O-N 2.9Å
512D43.4Very low39Very low141 Ų141138 Ų13875%0.75473%0.73SS**  trans-52.8135.3166.4-74.8-50.6000108.9M510 I514M510-D512 PolarHBondContact O-N 3.26Å; M510-D512 VanDerWaalsContact O-N 3.09Å; D512-I514 PolarHBondContact O-N 2.9Å
513P41.9Very low38.8Very low126 Ų126134.1 Ų134.182%0.81871%0.714SS**  trans-57.8103.1179.8-25.735.1000111.1E515P513-E515 PolarHBondContact O-N 3.01Å
514I36Very low38.3Very low140 Ų140134.1 Ų134.172%0.71871%0.713SS**  trans-66134.2-178.9-140.1165.4000108.6D512 I516D512-I514 PolarHBondContact O-N 2.9Å; I514-I516 VanDerWaalsContact C-N 3.34Å; I514-I516 HydrophobicContact CG2-CG2 3.87Å; I514-I516 PolarHBondContact O-N 2.77Å
515E45Very low37.7Very low191 Ų191132.8 Ų132.889%0.89370%0.703SS**  trans-67.293.5175.1-73.7-173.1116.100109.4P513 A517P513-E515 PolarHBondContact O-N 3.01Å; E515-A517 PolarHBondContact O-N 2.98Å
516I34.9Very low37.3Very low129 Ų129133.1 Ų133.166%0.66271%0.711SS**  trans-73.479.8169.750.1166.9000110I514 D518I514-I516 VanDerWaalsContact C-N 3.34Å; I514-I516 HydrophobicContact CG2-CG2 3.87Å; I514-I516 PolarHBondContact O-N 2.77Å; I516-D518 PolarHBondContact O-N 2.94Å
517A44.7Very low36.8Very low86 Ų86131.1 Ų131.171%0.71170%0.703SS**  trans-68.868.2161.600000110.1E515 E519E515-A517 PolarHBondContact O-N 2.98Å; A517-E519 PolarHBondContact O-N 2.9Å; A517-E519 VanDerWaalsContact O-N 3.09Å
518D32.8Very low36.3Very low134 Ų134132.1 Ų132.172%0.71771%0.705SS**  trans-80.981.9177.4-85.5-20.4000110.8I516I516-D518 PolarHBondContact O-N 2.94Å
519E37.9Very low35.5Very low175 Ų175133.4 Ų133.482%0.81871%0.708SS**  trans-89.1100.6168.151.8178.316900111.7A517A517-E519 PolarHBondContact O-N 2.9Å; A517-E519 VanDerWaalsContact O-N 3.09Å
520T30.6Very low35Very low128 Ų128130.7 Ų130.779%0.78571%0.708SS**  trans-128.172.3173.967.70000113.6
521T31.7Very low33.9Very low118 Ų118129 Ų12972%0.72471%0.712SS**  trans21.3125.9136.3-50.90000120I523T521-I523 HydrophobicContact CG2-CG1 4.48Å
522W26.2Very low33.5Very low225 Ų225132.1 Ų132.185%0.85273%0.725SS**  trans-144.683.9139.5-169.6-92.4000113.8
523I30.1Very low33.2Very low87 Ų87130.6 Ų130.645%0.44672%0.722SS.*  trans52.7115.7136.5-50.2176.7000118.5T521T521-I523 HydrophobicContact CG2-CG1 4.48Å
524K30.8Very low32.4Very low158 Ų158131.9 Ų131.969%0.68772%0.719SS**  175.1123.698.3-151.3170.9-179.1178.90116.1E431E431-K524 WeakPolarHBondContact OE1-CA 3.2Å; E431-K524 PolarHBondContact OE1-N 2.93Å
525E24.7Very low32Very low104 Ų104130.1 Ų130.149%0.48672%0.715SS.*  trans-57.5170.8165.4-106.9-147.7111.500115.8E431 V527E431-E525 HydrophobicContact CB-CB 4.37Å; E431-E525 HydrophobicContact CB-CG 3.6Å; E431-E525 VanDerWaalsContact CD-N 3.34Å; E431-E525 HydrophobicContact CG-CB 4.24Å; E431-E525 HydrophobicContact CG-CG 3.93Å; E431-E525 PolarHBondContact OE1-N 3.3Å; E525-V527 WeakPolarHBondContact OE1-CG2 3.48Å
526P36.3Very low31Very low106 Ų106126.7 Ų126.769%0.68870%0.703SS**  cis-137.1154.922.437.1-17000119.7
527V31.8Very low30.8Very low107 Ų107129.4 Ų129.465%0.64871%0.71SS**  22.5135.5122.1153.30000118.5E525E525-V527 WeakPolarHBondContact OE1-CG2 3.48Å
528D27.3Very low30.5Very low126 Ų126130.4 Ų130.467%0.67471%0.707SS**  cis-162174.426.8-148.2-11.2000116.3
529N27.3Very low30.5Very low143 Ų143129.8 Ų129.877%0.76571%0.713SS**  trans71.7129.3147.6-82.1-59.4000123.2
530G27.4Very low30.3Very low62 Ų62124.6 Ų124.664%0.63971%0.707SS**  129.774124.600000121.6
531S28.3Very low30.6Very low125 Ų125126.6 Ų126.687%0.87471%0.711SS**  trans57.9137146.257.80000123.2
532L33.8Very low30.5Very low164 Ų164124.2 Ų124.286%0.85970%0.703SS**  trans-55.2161.4156.8-75.9165.3000112.1
533P38.5Very low30.8Very low108 Ų108122.6 Ų122.670%0.70170%0.702SS**  cis-152.1-168.137.338.1-13.5000118.1
534M24.4Very low30.7Very low154 Ų154123.6 Ų123.676%0.75972%0.717SS**  trans80112.9140.6-115.956.6-175.800122.7
535T26.8Very low31.1Very low103 Ų103124.2 Ų124.263%0.63273%0.726SS**  71142129.547.40000124.4
536D25.2Very low31.7Very low118 Ų118127.9 Ų127.963%0.63174%0.743SS**  trans71.9147.2149.6-61.8-14.9000118.5
537F30.2Very low31.6Very low187 Ų187128.8 Ų128.882%0.8274%0.743SS**  cis-129.8125.329.1-92.6-101.9000117.4
538V38.1Very low31.7Very low107 Ų107127.7 Ų127.765%0.64874%0.74SS**  58114.4122.2179.20000120.4
539S34.1Very low32Very low121 Ų121129.7 Ų129.785%0.84675%0.745SS**  trans-91.7139.6140.5-65.90000110.7
540G32.1Very low32.5Very low66 Ų66131 Ų13168%0.6875%0.748SS**  trans-89.4155.7147.300000108.9
541I37Very low33Very low170 Ų170134.3 Ų134.387%0.87276%0.76SS**  cis-142.3153.135.8-33177.2000110
542A30.6Very low33.4Very low68 Ų68137.3 Ų137.356%0.56276%0.763SS**  trans-71.4172.2175.100000112.5
543F31.7Very low33.4Very low190 Ų190135 Ų13583%0.83376%0.76SS**  cis-157167.734.3-64.2-90.6000109.6
544S29Very low33.4Very low108 Ų108135.7 Ų135.776%0.75577%0.765SS**  cis-163.4174.1-8-110.10000109.1
545I37.8Very low34Very low172 Ų172137 Ų13788%0.88277%0.774SS**  trans-136.8135178.1-68.9176.9000112.3
546E38.7Very low34.4Very low180 Ų180136.8 Ų136.884%0.84178%0.783SS**  trans-167135.6160.6-179.6161.5-13700106.4
547N33.3Very low35Very low126 Ų126140.6 Ų140.667%0.67480%0.797SS**  cis-153.11476.1-1591.2000111
548S34.6Very low35.1Very low84 Ų84137.5 Ų137.559%0.58780%0.798SS**  trans43.9162.6145.8-145.20000120.7
549H32.8Very low34.8Very low167 Ų167137.1 Ų137.177%0.77380%0.8SS**  cis-144.5176.821.9-35.5-81.3000113.4
550M38.4Very low34.8Very low170 Ų170137.8 Ų137.884%0.83780%0.799SS**  trans-74.3150.9-178.6-59.1154.2-76.400114.4
551C37.4Very low35.1Very low133 Ų133140.9 Ų140.990%0.89980%0.799SS**  trans-143.1119.6151.7-82.30000109.7
552M37.8Very low34.9Very low187 Ų187138.5 Ų138.592%0.92179%0.794SS**  trans-101.7140.6162.6-71.3-175.37200108.9
553S33.1Very low35Very low116 Ų116140.9 Ų140.981%0.81181%0.805SS**  trans-111.3127.9170.9-63.30000109.5
554P37.9Very low35Very low122 Ų122140.9 Ų140.979%0.79281%0.808SS**  trans-80.2148.5-176.532-34.8000112.4
555L36.8Very low35.3Very low181 Ų181141.5 Ų141.595%0.94881%0.812SS**  trans-71.5134.3163.3-68166.9000109.6
556A36.1Very low35.2Very low99 Ų99138.8 Ų138.882%0.81881%0.809SS**  trans-145.384.5173.100000109.7
557E37.2Very low34.9Very low199 Ų199136.6 Ų136.693%0.9380%0.803SS**  trans-82.6119.7176.8-175.5-174.2160.300110.4
558S33.3Very low35.3Very low122 Ų122138 Ų13885%0.85381%0.809SS**  trans-155.7131160-151.90000112.2
559S31.6Very low35.7Very low98 Ų98142 Ų14269%0.68582%0.818SS**  trans-70.4151.3-176.6-178.20000113.5
560V32.8Very low36.3Very low136 Ų136142.8 Ų142.882%0.82482%0.824SS**  -166.5132115.2143.30000109.8
561I39.1Very low36.1Very low131 Ų131141.2 Ų141.267%0.67282%0.819SS**  trans-98.8152.2173.6-27177.3000109
562P32.4Very low36.6Very low119 Ų119140.2 Ų140.277%0.77381%0.814SS**  -123.8134.8127.334.4-29.4000111.5
563C32.5Very low36.6Very low119 Ų119134 Ų13480%0.80480%0.798SS**  trans-75.1139.3177.1-51.90000110.7
564E32.9Very low36.8Very low189 Ų189139.8 Ų139.888%0.88380%0.803SS**  trans-137.2143163.8-161.2154.7-129.200110.7S566E564-S566 PolarHBondContact O-N 2.83Å
565S33.8Very low37Very low122 Ų122140 Ų14085%0.85380%0.798SS**  trans-87.997.9-155.9-56.70000113.6N567S565-N567 PolarHBondContact O-N 3.47Å
566S36.3Very low37.1Very low115 Ų115138.1 Ų138.180%0.80479%0.794SS**  trans-73.9108.5170.4-72.70000112.1E564 I568E564-S566 PolarHBondContact O-N 2.83Å; S566-I568 PolarHBondContact O-N 2.85Å
567N33.6Very low37.2Very low134 Ų134141 Ų14172%0.71779%0.791SS**  trans-68.3107.8171.4-178.92.5000110.4S565 Q569S565-N567 PolarHBondContact O-N 3.47Å; N567-Q569 VanDerWaalsContact C-N 3.32Å; N567-Q569 PolarHBondContact O-N 3.11Å
568I41.8Very low37Very low155 Ų155139 Ų13980%0.79579%0.786SS**  trans-76.276.7178.547.6163.7000112.2S566 M570S566-I568 PolarHBondContact O-N 2.85Å; I568-M570 PolarHBondContact O-N 2.86Å
569Q43Very low37.2Very low169 Ų169138.5 Ų138.579%0.7978%0.782SS**  trans-72.5114.4159.1-66.2-169.7-103.200109N567 D571N567-Q569 VanDerWaalsContact C-N 3.32Å; N567-Q569 PolarHBondContact O-N 3.11Å; Q569-D571 PolarHBondContact O-N 3.04Å
570M44.4Very low37.2Very low183 Ų183137.3 Ų137.390%0.90178%0.784SS**  trans-71.3108.3163.8-70.7-176.8178.600108.9I568I568-M570 PolarHBondContact O-N 2.86Å
571D34.8Very low37.1Very low136 Ų136136.6 Ų136.673%0.72779%0.785SS**  trans-94.4156.2142.396.957.7000109Q569 G573Q569-D571 PolarHBondContact O-N 3.04Å; D571-G573 WeakPolarHBondContact OD1-CA 3.19Å; D571-G573 PolarHBondContact OD1-N 2.9Å
572S47.8Very low36.6Very low113 Ų113137.6 Ų137.679%0.7979%0.792SS**  trans-128.748.7175-65.10000109.9Y574S572-Y574 PolarHBondContact O-N 2.88Å
573G38.2Very low36.7Very low56 Ų56140 Ų14058%0.57780%0.797SS**  trans-84.986.5176.600000112.3D571 N575D571-G573 WeakPolarHBondContact OD1-CA 3.19Å; D571-G573 PolarHBondContact OD1-N 2.9Å; G573-N575 PolarHBondContact O-N 3.45Å
574Y35.9Very low37.1Very low237 Ų237142.6 Ų142.693%0.92980%0.799SS**  trans-61.4104.3163.8-85.3-87.5000110.2S572S572-Y574 PolarHBondContact O-N 2.88Å
575N41.8Very low37.1Very low128 Ų128140.6 Ų140.668%0.68480%0.795SS**  trans-131.5108.9170.5-177.612.7000111.2G573G573-N575 PolarHBondContact O-N 3.45Å
576T39Very low36.9Very low141 Ų141140 Ų14087%0.86579%0.786SS**  trans-104.476.117745.30000111.6
577Q39.1Very low36.6Very low159 Ų159141 Ų14174%0.74379%0.787SS**  trans-102.798.1166.7-81.8-164.4-9.800112.3C579Q577-C579 PolarHBondContact O-N 3.09Å
578N33.3Very low36.4Very low157 Ų157138.3 Ų138.384%0.8479%0.791SS**  trans-80.893.7168.1176.483.3000110.2
579C36.6Very low35.9Very low112 Ų112135.5 Ų135.576%0.75779%0.79SS**  trans-125.484.4170.3-75.90000109.7Q577Q577-C579 PolarHBondContact O-N 3.09Å
580G32Very low35.6Very low72 Ų72136.2 Ų136.274%0.74279%0.794SS**  trans-76.4123.8176.800000112.1
581S31Very low34.9Very low121 Ų121133.4 Ų133.485%0.84679%0.792SS**  trans-141.2105165.5-79.10000109.3
582N29.4Very low34.8Very low152 Ų152137.3 Ų137.381%0.81380%0.798SS**  trans-82.5113.6174.8172.215.7000109.9
583I33.3Very low33.9Very low169 Ų169137.2 Ų137.287%0.86780%0.797SS**  trans-133.8138.3149.654.7172.6000109.7
584M41Very low33.7Very low175 Ų175141.7 Ų141.786%0.86280%0.8SS**  trans-117.7106.8176.1173.8-172.272.300107.6
585D32.8Very low33.3Very low147 Ų147136.7 Ų136.779%0.78679%0.785SS**  trans-154.8-173.1161.1-143.9-32.4000111
586T29.6Very low32.9Very low108 Ų108134.7 Ų134.766%0.66378%0.781SS**  trans-123.3178.5-146.254.30000114.4
587V31.1Very low32.4Very low138 Ų138135.7 Ų135.784%0.83678%0.781SS**  trans57.896.4161.8-66.90000120.7
588G28.6Very low32.1Very low77 Ų77132.5 Ų132.579%0.79478%0.782SS**  82.4-170.6106.800000120.4
589A32.3Very low32Very low95 Ų95133.3 Ų133.379%0.78578%0.781SS**  trans67.9102.2-178.900000117.2
590E35.3Very low31.8Very low184 Ų184133.7 Ų133.786%0.8678%0.779SS**  trans-58.2156.8160.457.9-100.999.600113.8
591S30.1Very low31.7Very low124 Ų124135.1 Ų135.187%0.86778%0.777SS**  trans-151.6122.8159.4-175.10000110.4
592Y33.8Very low31.7Very low218 Ų218137.2 Ų137.286%0.85577%0.773SS**  trans-144.9123.4-173.9-155.1-77.7000110.2
593C28.3Very low31.8Very low112 Ų112136 Ų13676%0.75777%0.771SS**  trans-143.2122.1168-80.10000106.9
594K33.8Very low31.6Very low150 Ų150134.2 Ų134.265%0.65276%0.759SS**  69146.269.5-74.4-175.4142.6-124.90112.3
595E27.8Very low31Very low132 Ų132130.7 Ų130.762%0.61775%0.752SS**  cis-165.2147.931.9-157.264.7-61.800106.9
596S32.3Very low30.9Very low86 Ų86131.6 Ų131.660%0.60175%0.749SS**  cis-172.6-155.6-18.9-104.70000109.5
597D28.1Very low31Very low162 Ų162131.5 Ų131.587%0.86675%0.753SS**  trans75.6141.1166.2-66.1-7.5000118.4
598A34.7Very low30.9Very low91 Ų91134.3 Ų134.375%0.75276%0.757SS**  cis-153.4174.8-1500000107.7
599Q31.3Very low30.9Very low175 Ų175134.5 Ų134.582%0.81875%0.751SS**  cis-176135.744173.4167.3800112.2
600T32.1Very low30.8Very low119 Ų119138.5 Ų138.573%0.7375%0.751SS**  trans16.3156.7152.161.40000123.3
601C29.5Very low30.6Very low102 Ų102135.5 Ų135.569%0.68974%0.74SS**  cis-175.2-178.46.1-111.50000108.8
602E30.4Very low30.5Very low165 Ų165136.7 Ų136.777%0.77173%0.734SS**  cis-169.7-160.7-23.9-148.6-179.4123.500109.5
603V31.3Very low30.4Very low127 Ų127135.4 Ų135.477%0.7773%0.733SS**  trans68.6143.2158.6163.60000119.2
604E29.2Very low30.6Very low131 Ų131137 Ų13761%0.61273%0.729SS**  cis-165.7111.1-27.5177.6-178.5167.400108.1K606E604-K606 IonicContact OE1-NZ 2.63Å; E604-K606 PolarHBondContact OE1-NZ 2.95Å
605S29Very low30.3Very low102 Ų102136.9 Ų136.971%0.71374%0.736SS**  86.7154.690.7-49.90000119.7
606K30.1Very low30.8Very low166 Ų166136.5 Ų136.572%0.72273%0.734SS**  trans81.3149165.6-59.6146.4-178.6157.70117.7E604E604-K606 IonicContact OE1-NZ 2.63Å; E604-K606 PolarHBondContact OE1-NZ 2.95Å
607S32.7Very low30.9Very low106 Ų106138.3 Ų138.374%0.74174%0.741SS**  cis-173.2164.9-21.1-96.30000112.1
608Q28.3Very low31.2Very low196 Ų196136.1 Ų136.192%0.91673%0.734SS**  trans78.7158.1152.2-156.2170.86.800119.4
609A28.9Very low31.2Very low81 Ų81139.2 Ų139.267%0.66973%0.733SS**  -166.6179.8-80.100000112.5
610F30Very low31.2Very low180 Ų180142 Ų14279%0.78974%0.736SS**  trans84.4113.5160.7-95.7-110.2000122
611N30Very low31.3Very low120 Ų120141.2 Ų141.264%0.64273%0.734SS**  trans61.9165.2131-75.57.9000122.2
612M29.8Very low31.4Very low150 Ų150148.4 Ų148.474%0.73975%0.747SS**  cis176.9129.1-34.2169.8166.161.300107.9
613K30.8Very low31.6Very low191 Ų191149.1 Ų149.183%0.8375%0.753SS**  trans176.4169.8130.9-102.4-163.1173.5-158.60114.1
614Q31.9Very low31.6Very low144 Ų144151.8 Ų151.867%0.67375%0.754SS**  trans-138.6147.8-172.2148.1-169.157.200106.9H616Q614-H616 VanDerWaalsContact CD-NE2 3.34Å; Q614-H616 WeakPolarHBondContact CG-NE2 2.97Å; Q614-H616 PolarHBondContact NE2-CE1 2.86Å; Q614-H616 VanDerWaalsContact NE2-CE1 3.32Å
615D28.4Very low32Very low149 Ų149151.6 Ų151.680%0.79776%0.762SS**  trans-157.9167.8158.5-112.6-47.3000112
616H38.3Very low32.1Very low123 Ų123151.8 Ų151.857%0.56977%0.769SS**  trans-132.4175.6-149.4-58.8-98.5000117.3Q614Q614-H616 VanDerWaalsContact CD-NE2 3.34Å; Q614-H616 WeakPolarHBondContact CG-NE2 2.97Å; Q614-H616 PolarHBondContact NE2-CE1 2.86Å; Q614-H616 VanDerWaalsContact NE2-CE1 3.32Å
617T33.5Very low32.2Very low124 Ų124149.3 Ų149.376%0.76177%0.773SS**  trans85.3142154.1-7.80000115.1
618T34.7Very low32.9Very low117 Ų117148.8 Ų148.872%0.71877%0.767SS**  cis-159.7125.137.5-54.70000116.4
619Q34.1Very low33.2Very low156 Ų156147.5 Ų147.573%0.72976%0.759SS**  trans17.2119.8138-174.3-159.876.700121.7
620R32.4Very low33.6Very low233 Ų233151.8 Ų151.888%0.87977%0.765SS**  -169.1159.7115.3-121.1173.3-86.9-166.6-5.2113.7
621C33.4Very low33.7Very low102 Ų102148.4 Ų148.469%0.68976%0.762SS**  trans-133151-179.4179.50000109.9
622W30.9Very low33.9Very low254 Ų254148.3 Ų148.396%0.96277%0.771SS**  trans-179.1171.6136.7-89.5118.6000109.5
623M34.7Very low34Very low179 Ų179146.4 Ų146.488%0.88277%0.772SS**  trans-133.9161.6-160.2-151-176.4-165.600112.9
624K32.2Very low35.1Very low184 Ų184146.9 Ų146.980%0.880%0.795SS**  trans91.492.8151.2-161.5165-177175.20120.9
625T38.7Very low35.3Very low127 Ų127147 Ų14778%0.77980%0.801SS**  trans45.6125.2135.663.80000123
626A29.3Very low35.6Very low105 Ų105146.9 Ų146.987%0.86880%0.801SS**  trans-152.7148.4134.700000111.1
627S32.9Very low35.5Very low114 Ų114148.2 Ų148.280%0.79781%0.814SS**  trans-97.9-178.1166.456.90000109.6
628P48.1Very low35.6Very low95 Ų95149.6 Ų149.662%0.61782%0.817SS**  cis-136.2-172.55.443.2-25.1000114.8
629F34.8Very low35.7Very low169 Ų169151.7 Ų151.774%0.74182%0.824SS**  158.2140.5125.6-92-66.7000113.1
630Q35.8Very low35.8Very low172 Ų172151.4 Ų151.480%0.80483%0.83SS**  trans53.1162.3147.7-72.6169.2-200120.8
631C31.8Very low36Very low109 Ų109145.6 Ų145.674%0.73683%0.826SS**  cis-177.1159.1-44.7-111.40000108.1
632S34.6Very low36.2Very low117 Ų117148.9 Ų148.982%0.81884%0.837SS**  trans56.4120.1158.848.60000120
633S32.7Very low36.7Very low110 Ų110140.2 Ų140.277%0.76983%0.826SS**  trans-73.1170.5163.2-29.50000112.9
634P54.3Low36.8Very low201 Ų201136.6 Ų136.6100%1.30582%0.821SS**  -84.90129-8.627.6000111.3

Retrieved 634 of 634 residues in 302 ms (Link to these results)