RT05_MOUSE Loading...

Small ribosomal subunit protein uS5m

AlphaFold DB , UniProt , Accession Q99N87, Species MOUSE (Mus musculus, Mouse), Gene Mrps5, Length 432 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.5Very low39.6Very low239 Ų239134.5 Ų134.5100%1.17786%0.864SS**  0119.80-66.1-60.6-153.100107.7
2A38.2Very low39.9Very low96 Ų96132.8 Ų132.879%0.79385%0.854SS**  trans39.9106.7177.400000117.3
3A39Very low39.9Very low102 Ų102129.2 Ų129.284%0.84384%0.842SS**  62.9140.358.300000113.5
4A47.1Very low39.8Very low99 Ų99130.9 Ų130.982%0.81884%0.84SS**  cis-141.3176.718.900000114.9
5V38.9Very low39.6Very low134 Ų134129.8 Ų129.881%0.81284%0.835SS**  trans-132.7145.9-179.1171.30000109.8
6R41.8Very low39.3Very low238 Ų238128.2 Ų128.290%0.89883%0.829SS**  trans-166.9122.6154.4-100.6145-173.4178.61.9108.1
7A42.2Very low39.1Very low86 Ų86130.4 Ų130.471%0.71183%0.831SS**  71.7115.981.900000111.6
8A38Very low39Very low109 Ų109134.6 Ų134.690%0.90184%0.838SS**  cis84.511935.600000114.4
9G37.4Very low38.9Very low74 Ų74132.9 Ų132.976%0.76384%0.839SS**  trans171131.3173.900000116
10C39.4Very low38.8Very low135 Ų135130.1 Ų130.191%0.91284%0.836SS**  trans64.7108.1154.2-570000123.2
11L34.4Very low38.5Very low167 Ų167132.5 Ų132.587%0.87484%0.836SS**  trans-85.5-171.8137.4-81.8167.9000108.7
12P43.4Very low38.3Very low115 Ų115130.4 Ų130.475%0.74782%0.821SS**  cis-147.3-158.216.245.3-23.2000117.1
13A39.8Very low38.3Very low85 Ų85133 Ų13370%0.70282%0.82SS**  trans75.8150.8155.300000119.2
14L38.1Very low37.8Very low154 Ų154133.1 Ų133.181%0.80682%0.815SS**  cis-163.6153.5-11.3-112.1169.6000110.5
15C36.2Very low37.3Very low114 Ų114139.1 Ų139.177%0.7782%0.817SS**  trans61.2160.1158.7-76.60000120
16S35.6Very low37.1Very low104 Ų104141.5 Ų141.573%0.72782%0.819SS**  cis-158.1169.8-9.939.90000112.7
17L35.2Very low36.9Very low165 Ų165137.7 Ų137.786%0.86482%0.815SS**  trans-43150.4-177-56.889.6000118.8
18Q37.9Very low36.3Very low206 Ų206138.7 Ų138.796%0.96382%0.818SS**  -157173.6110.3-127.5176.8-20.200113
19A36.6Very low36.4Very low103 Ų103141.6 Ų141.685%0.85182%0.817SS**  trans-111.6162.5-165.400000114.3
20G37.3Very low36.2Very low76 Ų76144.8 Ų144.878%0.78482%0.817SS**  trans-167.5118.6173.100000113.1
21H32.6Very low36.2Very low181 Ų181143.2 Ų143.284%0.83881%0.813SS**  trans-70.7156.1175.5-60.1-109.9000111.4
22F35.4Very low36.2Very low196 Ų196143.9 Ų143.986%0.8681%0.809SS**  -159.2120.3130-113.5-71.1000114.5
23L38.2Very low36.3Very low150 Ų150144 Ų14479%0.78581%0.81SS**  trans19.7139.9161.4-73.5166.6000123.8
24S29.3Very low36.2Very low105 Ų105146.4 Ų146.473%0.73482%0.815SS**  trans-72.2158.2162.757.70000113.1
25R35.8Very low36.3Very low225 Ų225144 Ų14485%0.84982%0.818SS**  trans-146.5101.3154.9-143.3174.9-168.2-161.72.7112.5
26Q34.5Very low36.2Very low184 Ų184143.2 Ų143.286%0.8682%0.819SS**  trans-71.9134.7156.9-70.2178.6-19.900108.5
27L37.7Very low36.4Very low157 Ų157144.5 Ų144.582%0.82282%0.823SS**  trans-148.1111.5149.9-94-175.6000109.3
28S29.1Very low36.2Very low108 Ų108141.9 Ų141.976%0.75582%0.819SS**  trans-132.5128.4161.858.80000107.8
29L40Very low36.2Very low169 Ų169141.4 Ų141.489%0.88581%0.814SS**  trans-164.2165.8147.7-107.9166.8000109.7
30N33.1Very low36.1Very low142 Ų142144.6 Ų144.676%0.75982%0.815SS**  trans-104.4154.9-167.7-50.3-73.3000112
31A39.9Very low36.3Very low101 Ų101145.8 Ų145.884%0.83582%0.818SS**  trans-146136.4152.400000110
32F34.5Very low36.3Very low182 Ų182143 Ų14380%0.79881%0.814SS**  trans-111.6153.1164.5-74.6-88.6000107.9
33P45.2Very low36.4Very low117 Ų117143.6 Ų143.676%0.7682%0.816SS**  -125154.3100.74.916.4000110.8
34V37.4Very low36.2Very low135 Ų135142.5 Ų142.582%0.81882%0.816SS**  cis67.485.344-171.90000112.9
35A41.3Very low36.4Very low103 Ų103141.9 Ų141.985%0.85182%0.816SS**  trans-151.7130.8153.700000107.9
36A33.8Very low36.4Very low98 Ų98139.4 Ų139.481%0.8182%0.819SS**  trans-134127.9176.600000109.6
37T39.6Very low36.3Very low131 Ų131134.7 Ų134.780%0.80481%0.807SS**  trans-157127.9161.210.90000108.5F39T37-F39 HydrophobicContact CG2-CE2 4.16Å
38S32.1Very low36.3Very low110 Ų110136 Ų13677%0.76981%0.808SS**  trans-126.2116.8175.955.70000108.4
39F38Very low36.6Very low197 Ų197134.4 Ų134.486%0.86481%0.809SS**  trans-120.4116.3169.4-79.8-75.3000110.2T37T37-F39 HydrophobicContact CG2-CE2 4.16Å
40L34.5Very low36.3Very low169 Ų169131.5 Ų131.589%0.88580%0.803SS**  trans-95.7122.1168.1-103.5161.8000107.3
41A40Very low36.4Very low101 Ų101132.6 Ų132.684%0.83581%0.808SS**  trans-135.2114.5168.300000108.5
42V34.1Very low36.1Very low124 Ų124133 Ų13375%0.75281%0.805SS**  trans-112128.3172.4172.40000107.2
43K36.3Very low36.1Very low208 Ų208128.3 Ų128.390%0.90479%0.794SS**  trans-156.4158150.3-115.2164.5-173.6-178.60112.1
44T34.8Very low35.6Very low127 Ų127132.9 Ų132.978%0.77980%0.796SS**  trans-92.8146.9-160.9400000114.1
45A32.9Very low35.5Very low91 Ų91132.5 Ų132.575%0.75279%0.786SS**  trans21.7134.114200000120.8
46L36.7Very low35.3Very low173 Ų173132.3 Ų132.391%0.90677%0.774SS**  -155.6176.9109.9-105.9165000111
47S30.9Very low35.5Very low85 Ų85139.7 Ų139.759%0.59478%0.781SS**  trans-99.5-173.4-167.3500000114.7
48H38.6Very low35.3Very low185 Ų185143.6 Ų143.686%0.85678%0.781SS**  trans80.9130.7-178.5-45.6-77.4000115.2
49G34.3Very low35.7Very low75 Ų75146.3 Ų146.377%0.77379%0.787SS**  cis133.189.1-26.600000116.9
50S34.9Very low35.5Very low108 Ų108145.2 Ų145.276%0.75578%0.784SS**  trans-173.5152.8152.352.70000112.1
51L35Very low35.5Very low164 Ų164142.5 Ų142.586%0.85978%0.778SS**  trans13.9145.7147.7-73.788.9000119.9
52S32.8Very low35.3Very low111 Ų111145.3 Ų145.378%0.77678%0.778SS**  cis-171.3-165.5-5.4-157.30000106.5
53S35.3Very low35.4Very low83 Ų83146.2 Ų146.258%0.5878%0.784SS**  cis-161.5158.7-0.184.30000110.3
54R35.4Very low35.4Very low212 Ų212141.4 Ų141.480%0.878%0.777SS**  trans64.5158.7155.1-61.9179.189.3151.65117
55E35.1Very low35.5Very low128 Ų128143.4 Ų143.460%0.59878%0.782SS**  cis-166165.1-21.4-111.7-159.793.500108.8
56T37Very low35.8Very low98 Ų98143.6 Ų143.660%0.60178%0.778SS**  cis-152.9154.5-20.2-8.70000107.8
57R36.8Very low35.9Very low254 Ų254144 Ų14496%0.95877%0.774SS**  trans-167.9147.9131.8-108.6168.6-168.9-155.10.4112.8
58R34.9Very low36.2Very low212 Ų212145.8 Ų145.880%0.878%0.782SS**  trans-88153.1-169.5-66.3170.9171.1158.7-5112.6
59N41.2Very low36.1Very low167 Ų167144.8 Ų144.889%0.89378%0.782SS**  -165.7108.2119.3-94.6-13.7000109.6
60H34.3Very low36.3Very low174 Ų174150.6 Ų150.681%0.80679%0.789SS**  trans-99.4151.8173.3-62.6-96.2000110
61C34.4Very low36.6Very low113 Ų113151.6 Ų151.676%0.76479%0.791SS**  trans-161.8131.6131-120.70000112.9
62L36.3Very low36.8Very low160 Ų160153 Ų15384%0.83879%0.793SS**  trans53.986.4148.2-58.6170.9000118.7
63T36.7Very low37.1Very low143 Ų143153.7 Ų153.788%0.87780%0.796SS**  trans-153.9151.3136.3-5.20000109.4
64S36Very low37.1Very low106 Ų106156.5 Ų156.574%0.74181%0.814SS**  trans66.180.9-179.9-173.40000117.1
65L36Very low37.5Very low169 Ų169152.2 Ų152.289%0.88581%0.811SS**  trans-132.887.6149.4-91176.2000109
66S39.1Very low37.8Very low96 Ų96151.4 Ų151.467%0.67182%0.82SS**  trans-15732.6176.768.10000113.1
67H38.3Very low38Very low180 Ų180152.7 Ų152.783%0.83383%0.833SS**  trans-152.367.5175.2-84.8-63.1000111.4
68V37.4Very low38.3Very low124 Ų124145.8 Ų145.875%0.75282%0.821SS**  trans-141.2155.1162.7-1740000106.3
69L36.8Very low39Very low164 Ų164139 Ų13986%0.85982%0.817SS**  trans7361.4-172.8-50.3179.1000115.1
70Q38.8Very low39.1Very low197 Ų197138.9 Ų138.992%0.92182%0.817SS**  trans-144.265153.5-155.216915.300112.1
71T41.8Very low39.6Very low129 Ų129142 Ų14279%0.79182%0.821SS**SBendtrans-129.8131.816747.30000107.8
72Q39.4Very low40.5Very low194 Ų194142.9 Ų142.991%0.90782%0.824SS**SBendtrans6275.9179.5-57-180-2.800115.8
73C38.7Very low41.1Very low124 Ų124138.6 Ų138.684%0.83882%0.817SS**  trans-163.2120.9142.6-111.80000109.1V75C73-V75 PolarHBondContact O-N 3.19Å
74C34.5Very low42.2Very low143 Ų143139.8 Ų139.897%0.96681%0.813SS**  trans-8295.7-178-66.70000110.7
75V44.7Very low43.2Very low122 Ų122142.8 Ų142.874%0.73982%0.816SS**  trans-118.8127.1167.9-175.50000108.7C73C73-V75 PolarHBondContact O-N 3.19Å
76S41.5Very low44.2Very low111 Ų111139.6 Ų139.678%0.77681%0.806SS**  trans-58.4138.1-176.941.80000112.4P78S76-P78 WeakPolarHBondContact O-CD 3.39Å
77S40.3Very low45.3Very low125 Ų125145.2 Ų145.287%0.87481%0.813SS**  trans-87.6127.8-176.1-50.30000112.9
78P44.1Very low47.1Very low108 Ų108142.5 Ų142.570%0.70181%0.811SS**  trans-119.4114.9167.429.8-11.5000112.4S76S76-P78 WeakPolarHBondContact O-CD 3.39Å
79G49.1Very low49.1Very low71 Ų71145 Ų14573%0.73281%0.808SS**SBendtrans86.5149.9159.300000117.7W81G79-W81 PolarHBondContact O-N 3.19Å
80N42.3Very low51.6Low164 Ų164139.7 Ų139.788%0.87779%0.785SS**  trans-76.298.1174.1-78.8-38000110.9T82N80-T82 PolarHBondContact O-N 3Å
81W46.1Very low54.1Low239 Ų239137.6 Ų137.691%0.90577%0.773SS**  trans-72.492.6171.7-76.873.3000111.1G79 G83G79-W81 PolarHBondContact O-N 3.19Å; W81-G83 VanDerWaalsContact C-N 3.31Å; W81-G83 PolarHBondContact O-N 3.24Å
82T53.1Low56.5Low132 Ų132140.4 Ų140.481%0.8177%0.774SS**  trans-68.487.8168.350.70000110N80 Q84N80-T82 PolarHBondContact O-N 3Å; T82-Q84 PolarHBondContact O-N 3.04Å
83G48.6Very low59Low69 Ų69134.5 Ų134.571%0.71175%0.751SS**  trans-60.494.8-177.600000113.4W81 Q85W81-G83 VanDerWaalsContact C-N 3.31Å; W81-G83 PolarHBondContact O-N 3.24Å; G83-Q85 PolarHBondContact O-N 2.89Å
84Q59.1Low61.6Low168 Ų168133.6 Ų133.679%0.78573%0.733SS**  trans-66.9116.7176.4-178.7172.3-22.400110.1T82 C86T82-Q84 PolarHBondContact O-N 3.04Å; Q84-C86 VanDerWaalsContact C-N 3.27Å; Q84-C86 PolarHBondContact O-N 2.65Å
85Q56.6Low64.5Low170 Ų170131.8 Ų131.879%0.79471%0.713SS**  trans-71.278.9177.2-74.2-165.6-7.900112.1G83 R87G83-Q85 PolarHBondContact O-N 2.89Å; Q85-R87 PolarHBondContact O-N 2.89Å
86C57.1Low66.9Low101 Ų101129.6 Ų129.668%0.68270%0.701SS**  trans-67.397.7169.7-69.80000110.4Q84Q84-C86 VanDerWaalsContact C-N 3.27Å; Q84-C86 PolarHBondContact O-N 2.65Å
87R63.9Low69.5Low215 Ų215126.6 Ų126.681%0.81168%0.683SS**  trans-74.4125.3165.7-67.6-175178.3-164.4-2.6108.9Q85 Y89Q85-R87 PolarHBondContact O-N 2.89Å; R87-Y89 PolarHBondContact O-N 2.88Å; R87-Y89 VanDerWaalsContact O-N 3.11Å
88P74.1Confident72.2Confident122 Ų122126.2 Ų126.279%0.79267%0.667SS**  trans-65.7113.7177.226.4-33.2000109.7
89Y79.7Confident74.7Confident176 Ų176125 Ų12569%0.6965%0.652SS**  trans-107.5103.7179.7-179-110.9000109.7R87 K94R87-Y89 PolarHBondContact O-N 2.88Å; R87-Y89 VanDerWaalsContact O-N 3.11Å; Y89-K94 HydrophobicContact CE2-CG 4.33Å; Y89-K94 PolarHBondContact OH-NZ 2.97Å
90S89.9Confident76.9Confident53 Ų53126.5 Ų126.537%0.37164%0.643SS.*  trans-114.3169.5177.378.20000111.5F92 T93S90-F92 VanDerWaalsContact C-N 3.26Å; S90-F92 PolarHBondContact O-N 3.45Å; S90-F92 PolarHBondContact OG-N 3.06Å; S90-T93 PolarHBondContact N-OG1 2.9Å; S90-T93 PolarHBondContact O-N 3.35Å; S90-T93 VanDerWaalsContact O-N 3.09Å; S90-T93 PolarHBondContact O-OG1 3.35Å
91F91.7Very high79.5Confident154 Ų154121.3 Ų121.368%0.67561%0.611SS**G310 helixtrans-52.3-45.6173.2179.2-99.8000112.2T93 K94F91-T93 PolarHBondContact O-N 3.27Å; F91-K94 HydrophobicContact CD2-CD 4.09Å; F91-K94 WeakPolarHBondContact O-CB 3.19Å; F91-K94 WeakPolarHBondContact O-CG 3.42Å; F91-K94 PolarHBondContact O-N 3.39Å
92F91.6Very high81.9Confident188 Ų188117.6 Ų117.683%0.82560%0.601SS**G310 helixtrans-69-10.4-179.4-53.1-73.9000114.6S90S90-F92 VanDerWaalsContact C-N 3.26Å; S90-F92 PolarHBondContact O-N 3.45Å; S90-F92 PolarHBondContact OG-N 3.06Å
93T92Very high83.9Confident69 Ų69114 Ų11442%0.42359%0.59SS.*G310 helixtrans-93.13.5174.562.70000113.9S90 F91S90-T93 PolarHBondContact N-OG1 2.9Å; S90-T93 PolarHBondContact O-N 3.35Å; S90-T93 VanDerWaalsContact O-N 3.09Å; S90-T93 PolarHBondContact O-OG1 3.35Å; F91-T93 PolarHBondContact O-N 3.27Å
94K93.5Very high86.1Confident106 Ų106112.7 Ų112.746%0.46157%0.572SS.*PPolyproline II helixtrans-81.1131178.7-63.7169.7-171.7-77.50110.3Y89 F91Y89-K94 HydrophobicContact CE2-CG 4.33Å; Y89-K94 PolarHBondContact OH-NZ 2.97Å; F91-K94 HydrophobicContact CD2-CD 4.09Å; F91-K94 WeakPolarHBondContact O-CB 3.19Å; F91-K94 WeakPolarHBondContact O-CG 3.42Å; F91-K94 PolarHBondContact O-N 3.39Å
95L94.8Very high87.9Confident104 Ų104106.1 Ų106.155%0.54554%0.543SS..PPolyproline II helixtrans-102.6164.2177-56.8-177.2000111.7E99 L100L95-E99 HydrophobicContact CB-CB 4.32Å; L95-L100 HydrophobicContact CB-CD2 4.37Å; L95-L100 HydrophobicContact CB-CG 4.36Å
96T96.4Very high89.7Confident77 Ų77101 Ų10147%0.47253%0.53SS..PPolyproline II helixtrans-68155.9177.469.20000112.2E98 E99 L100T96-E98 PolarHBondContact O-N 2.82Å; T96-E99 VanDerWaalsContact CB-OE1 3.28Å; T96-E99 WeakPolarHBondContact CB-OE1 3.31Å; T96-E99 WeakPolarHBondContact CG2-OE1 3.28Å; T96-E99 PolarHBondContact N-OE1 3.4Å; T96-E99 PolarHBondContact O-N 3.09Å; T96-E99 WeakPolarHBondContact OG1-CG 3.49Å; T96-E99 PolarHBondContact OG1-N 2.89Å; T96-E99 PolarHBondContact OG1-OE1 3.18Å; T96-L100 WeakPolarHBondContact O-CG 3.46Å; T96-L100 PolarHBondContact O-N 2.99Å; T96-L100 VanDerWaalsContact O-N 3.1Å
97A96.3Very high91.4Very high48 Ų48101.2 Ų101.240%0.39752%0.52SS..Hα-helixtrans-59.1-3017600000112.8W101A97-W101 WeakPolarHBondContact O-CB 3.37Å; A97-W101 PolarHBondContact O-N 2.87Å
98E96.3Very high92.8Very high116 Ų11696.6 Ų96.654%0.54252%0.516SS..Hα-helixtrans-60.6-51.6175.5-72.6-88.79900111.5T96 W101 K102 R125T96-E98 PolarHBondContact O-N 2.82Å; E98-W101 PolarHBondContact O-N 3.22Å; E98-K102 WeakPolarHBondContact O-CB 3.24Å; E98-K102 PolarHBondContact O-N 2.85Å; E98-R125 IonicContact OE1-CZ 2.87Å; E98-R125 VanDerWaalsContact OE1-CZ 3.26Å; E98-R125 IonicContact OE1-NH1 2.69Å; E98-R125 PolarHBondContact OE1-NH1 3.06Å; E98-R125 IonicContact OE1-NH2 2.65Å; E98-R125 PolarHBondContact OE1-NH2 2.87Å
99E96Very high93.6Very high84 Ų8492.3 Ų92.339%0.39349%0.494SS..Hα-helixtrans-64.6-45.1179-65.7161.6-95.300111.9L95 T96 W101 K102 G103L95-E99 HydrophobicContact CB-CB 4.32Å; T96-E99 VanDerWaalsContact CB-OE1 3.28Å; T96-E99 WeakPolarHBondContact CB-OE1 3.31Å; T96-E99 WeakPolarHBondContact CG2-OE1 3.28Å; T96-E99 PolarHBondContact N-OE1 3.4Å; T96-E99 PolarHBondContact O-N 3.09Å; T96-E99 WeakPolarHBondContact OG1-CG 3.49Å; T96-E99 PolarHBondContact OG1-N 2.89Å; T96-E99 PolarHBondContact OG1-OE1 3.18Å; E99-W101 VanDerWaalsContact C-N 3.35Å; E99-W101 PolarHBondContact O-N 3.23Å; E99-K102 WeakPolarHBondContact O-CB 3.36Å; E99-K102 PolarHBondContact O-N 2.8Å; E99-G103 PolarHBondContact O-N 3.03Å
100L96.2Very high94.2Very high102 Ų10287.1 Ų87.153%0.53449%0.488SS..Hα-helixtrans-59.3-44.8177.5-66.9173.2000111.1L95 T96 A104L95-L100 HydrophobicContact CB-CD2 4.37Å; L95-L100 HydrophobicContact CB-CG 4.36Å; T96-L100 WeakPolarHBondContact O-CG 3.46Å; T96-L100 PolarHBondContact O-N 2.99Å; T96-L100 VanDerWaalsContact O-N 3.1Å; L100-A104 WeakPolarHBondContact O-CB 3.46Å; L100-A104 PolarHBondContact O-N 3.03Å
101W97.3Very high94.3Very high55 Ų5586.2 Ų86.221%0.20849%0.487CS..Hα-helixtrans-69.1-40.2175.5-81.7116.3000112.9A97 E98 E99 G103 A104 L105 R125 K126A97-W101 WeakPolarHBondContact O-CB 3.37Å; A97-W101 PolarHBondContact O-N 2.87Å; E98-W101 PolarHBondContact O-N 3.22Å; E99-W101 VanDerWaalsContact C-N 3.35Å; E99-W101 PolarHBondContact O-N 3.23Å; W101-G103 PolarHBondContact O-N 3.27Å; W101-A104 PolarHBondContact O-N 3.11Å; W101-L105 HydrophobicContact CB-CD1 4.44Å; W101-L105 HydrophobicContact CE3-CD1 4.19Å; W101-L105 HydrophobicContact CE3-CD2 4.18Å; W101-L105 HydrophobicContact CE3-CG 4.03Å; W101-L105 HydrophobicContact CZ3-CD2 4.34Å; W101-L105 WeakPolarHBondContact O-CB 3.49Å; W101-L105 WeakPolarHBondContact O-CD1 3.39Å; W101-L105 WeakPolarHBondContact O-CG 3.46Å; W101-L105 PolarHBondContact O-N 2.91Å; W101-R125 HydrophobicContact CB-CG 4.38Å; W101-R125 HydrophobicContact CD2-CG 3.84Å; W101-R125 HydrophobicContact CE3-CB 4.42Å; W101-R125 HydrophobicContact CE3-CG 4.21Å; W101-R125 HydrophobicContact CG-CG 3.89Å; W101-K126 HydrophobicContact CH2-CB 4.19Å; W101-K126 HydrophobicContact CZ2-CB 4.1Å; W101-K126 WeakPolarHBondContact CZ2-O 3.41Å; W101-K126 PolarHBondContact NE1-O 2.87Å
102K96.2Very high94.3Very high161 Ų16181.9 Ų81.970%0.748%0.479SS*.Hα-helixtrans-57.7-47.6176.5-178.7-179.9-179.9-178.40111.3E98 E99 A106E98-K102 WeakPolarHBondContact O-CB 3.24Å; E98-K102 PolarHBondContact O-N 2.85Å; E99-K102 WeakPolarHBondContact O-CB 3.36Å; E99-K102 PolarHBondContact O-N 2.8Å; K102-A106 PolarHBondContact O-N 3.35Å
103G94.9Very high94.3Very high56 Ų5682.8 Ų82.858%0.57748%0.477SS*.Hα-helixtrans-66-49.1173.700000112.8E99 W101 L105 A106E99-G103 PolarHBondContact O-N 3.03Å; W101-G103 PolarHBondContact O-N 3.27Å; G103-L105 VanDerWaalsContact C-N 3.33Å; G103-L105 PolarHBondContact O-N 3.27Å; G103-A106 PolarHBondContact O-N 2.81Å
104A95.6Very high94.3Very high41 Ų4186 Ų8634%0.33949%0.485SS..Hα-helixtrans-64.3-32.9-175.500000113.9L100 W101 K123L100-A104 WeakPolarHBondContact O-CB 3.46Å; L100-A104 PolarHBondContact O-N 3.03Å; W101-A104 PolarHBondContact O-N 3.11Å; A104-K123 WeakPolarHBondContact O-CD 3.37Å; A104-K123 WeakPolarHBondContact O-CE 3.5Å; A104-K123 PolarHBondContact O-NZ 3.5Å
105L96.1Very high94.2Very high31 Ų3183.9 Ų83.916%0.16249%0.493CS..Hα-helixtrans-84.6-28.3179.7-63.3169.2000113.5W101 G103 E107 K123 R125W101-L105 HydrophobicContact CB-CD1 4.44Å; W101-L105 HydrophobicContact CE3-CD1 4.19Å; W101-L105 HydrophobicContact CE3-CD2 4.18Å; W101-L105 HydrophobicContact CE3-CG 4.03Å; W101-L105 HydrophobicContact CZ3-CD2 4.34Å; W101-L105 WeakPolarHBondContact O-CB 3.49Å; W101-L105 WeakPolarHBondContact O-CD1 3.39Å; W101-L105 WeakPolarHBondContact O-CG 3.46Å; W101-L105 PolarHBondContact O-N 2.91Å; G103-L105 VanDerWaalsContact C-N 3.33Å; G103-L105 PolarHBondContact O-N 3.27Å; L105-E107 VanDerWaalsContact C-N 3.25Å; L105-E107 HydrophobicContact CB-CG 3.7Å; L105-E107 PolarHBondContact O-N 2.99Å; L105-K123 HydrophobicContact CD2-CB 3.79Å; L105-R125 HydrophobicContact CD1-CB 4Å; L105-R125 HydrophobicContact CD1-CG 4.48Å
106A94.6Very high94.1Very high63 Ų6388 Ų8852%0.52150%0.502SS..  trans54.430.3176.400000115.7K102 G103 T108 G109K102-A106 PolarHBondContact O-N 3.35Å; G103-A106 PolarHBondContact O-N 2.81Å; A106-T108 VanDerWaalsContact C-N 3.3Å; A106-T108 PolarHBondContact O-N 3.03Å; A106-G109 PolarHBondContact O-N 3.11Å
107E93.2Very high93.9Very high105 Ų10586.7 Ų86.749%0.49150%0.503SS..THydrogen-bonded Turntrans-67.1-26.9-167.9-49.7-152.3113.100114.4L105 A112 K122L105-E107 VanDerWaalsContact C-N 3.25Å; L105-E107 HydrophobicContact CB-CG 3.7Å; L105-E107 PolarHBondContact O-N 2.99Å; E107-A112 WeakPolarHBondContact O-CB 3.41Å; E107-K122 WeakPolarHBondContact OE1-CE 3.48Å; E107-K122 IonicContact OE1-NZ 2.66Å; E107-K122 PolarHBondContact OE1-NZ 2.91Å
108T92.2Very high93.9Very high118 Ų11893.6 Ų93.672%0.72453%0.525SS*.THydrogen-bonded Turntrans-87.1-5.1-178.751.50000114.1A106A106-T108 VanDerWaalsContact C-N 3.3Å; A106-T108 PolarHBondContact O-N 3.03Å
109G91.2Very high93.8Very high31 Ų3199.1 Ų99.132%0.3254%0.54SS..SBendtrans-66.6159.1-172.200000115A106 G111 A112A106-G109 PolarHBondContact O-N 3.11Å; G109-G111 PolarHBondContact O-N 3.02Å; G109-G111 VanDerWaalsContact O-N 3.07Å; G109-A112 WeakPolarHBondContact O-CB 3.4Å; G109-A112 PolarHBondContact O-N 3.08Å
110A92.2Very high93.8Very high68 Ų68101.3 Ų101.356%0.56256%0.56SS**Hα-helixtrans-56.1-29.5-177.900000114A112 R113A110-A112 VanDerWaalsContact C-N 3.31Å; A110-A112 PolarHBondContact O-N 2.9Å; A110-R113 PolarHBondContact O-N 3.5Å
111G91.4Very high93.7Very high34 Ų34106.1 Ų106.135%0.35158%0.576SS.*Hα-helixtrans-64.4-30175.400000114.4G109 R116G109-G111 PolarHBondContact O-N 3.02Å; G109-G111 VanDerWaalsContact O-N 3.07Å; G111-R116 PolarHBondContact O-N 2.72Å
112A92Very high93.6Very high62 Ų62110 Ų11051%0.51260%0.595SS.*Hα-helixtrans-72.1-43177.300000111.6E107 G109 A110 K114 G115E107-A112 WeakPolarHBondContact O-CB 3.41Å; G109-A112 WeakPolarHBondContact O-CB 3.4Å; G109-A112 PolarHBondContact O-N 3.08Å; A110-A112 VanDerWaalsContact C-N 3.31Å; A110-A112 PolarHBondContact O-N 2.9Å; A112-K114 VanDerWaalsContact C-N 3.35Å; A112-K114 PolarHBondContact O-N 3.27Å; A112-G115 PolarHBondContact O-N 2.9Å
113R91.6Very high93.6Very high207 Ų207108.8 Ų108.878%0.78159%0.59SS**Hα-helixtrans-54.6-42.5-172.1-61.9-175.3-177.7-172.2-1.4114A110A110-R113 PolarHBondContact O-N 3.5Å
114K92.2Very high93.5Very high136 Ų136113.2 Ų113.259%0.59159%0.593SS**THydrogen-bonded Turntrans-112.824.1-177.9-63.6-170176.6-171.50113.5A112 R116 E237A112-K114 VanDerWaalsContact C-N 3.35Å; A112-K114 PolarHBondContact O-N 3.27Å; K114-R116 VanDerWaalsContact C-N 3.3Å; K114-R116 PolarHBondContact O-N 2.72Å; K114-E237 WeakPolarHBondContact CE-O 3.48Å; K114-E237 PolarHBondContact NZ-O 3.11Å; K114-E237 VanDerWaalsContact NZ-O 3.16Å
115G91Very high93.5Very high62 Ų62117 Ų11764%0.63960%0.598SS**THydrogen-bonded Turntrans68.120.5172.300000115.8A112 G117A112-G115 PolarHBondContact O-N 2.9Å; G115-G117 VanDerWaalsContact C-N 3.3Å; G115-G117 PolarHBondContact O-N 3.16Å
116R93.7Very high93.5Very high191 Ų191117.8 Ų117.872%0.72160%0.6SS**  trans-70.6-23.1-175.9-61.9175.3170.7174-6.5113G111 K114G111-R116 PolarHBondContact O-N 2.72Å; K114-R116 VanDerWaalsContact C-N 3.3Å; K114-R116 PolarHBondContact O-N 2.72Å
117G92.2Very high93.5Very high49 Ų49119 Ų11951%0.50560%0.598SS.*SBendtrans-84.2122.5179.400000114.3G115G115-G117 VanDerWaalsContact C-N 3.3Å; G115-G117 PolarHBondContact O-N 3.16Å
118K95.5Very high93.5Very high194 Ų194118.3 Ų118.384%0.84360%0.598SS**  trans-62.4134.4169-64.3-179.8-177.5177.30110
119R94.5Very high93.6Very high231 Ų231118.1 Ų118.187%0.87259%0.592SS**SBendtrans-91.50.9-174.1-65.4-174.8176.6-157.3-4.9115.2
120T95.6Very high93.7Very high131 Ų131124 Ų12480%0.80460%0.604SS**THydrogen-bonded Turntrans-64.1-44.8-171.646.80000113.8
121K94.8Very high93.7Very high202 Ų202123.3 Ų123.388%0.87860%0.604SS**THydrogen-bonded Turntrans-114.651.6177.6-65.2-172.4177.8-176.90111.6K123K121-K123 PolarHBondContact O-N 2.95Å
122K94.5Very high93.8Very high137 Ų137128.4 Ų128.460%0.59662%0.619SS**  trans-65.7125.5177.3-164.2-153.3169.9-175.50110.6E107E107-K122 WeakPolarHBondContact OE1-CE 3.48Å; E107-K122 IonicContact OE1-NZ 2.66Å; E107-K122 PolarHBondContact OE1-NZ 2.91Å
123K95.7Very high93.9Very high136 Ų136131 Ų13159%0.59162%0.623SS**  trans-56.7150.5167.6-61.9-179.6-177.2-1770111A104 L105 K121A104-K123 WeakPolarHBondContact O-CD 3.37Å; A104-K123 WeakPolarHBondContact O-CE 3.5Å; A104-K123 PolarHBondContact O-NZ 3.5Å; L105-K123 HydrophobicContact CD2-CB 3.79Å; K121-K123 PolarHBondContact O-N 2.95Å
124K94.2Very high94.1Very high149 Ų149127.5 Ų127.565%0.64862%0.618SS**  trans-128.7138.3176.2-62.9-179.6-176.1178.60109
125R95.6Very high94.1Very high119 Ų119122.3 Ų122.345%0.44960%0.603SS.*  trans-56.9137.1169.4-164170.1173.3165-1.3108.9E98 W101 L105 R185E98-R125 IonicContact OE1-CZ 2.87Å; E98-R125 VanDerWaalsContact OE1-CZ 3.26Å; E98-R125 IonicContact OE1-NH1 2.69Å; E98-R125 PolarHBondContact OE1-NH1 3.06Å; E98-R125 IonicContact OE1-NH2 2.65Å; E98-R125 PolarHBondContact OE1-NH2 2.87Å; W101-R125 HydrophobicContact CB-CG 4.38Å; W101-R125 HydrophobicContact CD2-CG 3.84Å; W101-R125 HydrophobicContact CE3-CB 4.42Å; W101-R125 HydrophobicContact CE3-CG 4.21Å; W101-R125 HydrophobicContact CG-CG 3.89Å; L105-R125 HydrophobicContact CD1-CB 4Å; L105-R125 HydrophobicContact CD1-CG 4.48Å; R125-R185 PolarHBondContact O-NH1 2.96Å; R125-R185 VanDerWaalsContact O-NH1 3.15Å; R125-R185 PolarHBondContact O-NH2 3.21Å
126K94.6Very high94.3Very high48 Ų48121.9 Ų121.921%0.20959%0.585CS.*  trans-122.3123.9164.6179.8164.8-178.8167.60106.4W101 D182W101-K126 HydrophobicContact CH2-CB 4.19Å; W101-K126 HydrophobicContact CZ2-CB 4.1Å; W101-K126 WeakPolarHBondContact CZ2-O 3.41Å; W101-K126 PolarHBondContact NE1-O 2.87Å; K126-D182 IonicContact NZ-OD1 3.83Å; K126-D182 PolarHBondContact NZ-OD1 3.45Å; K126-D182 IonicContact NZ-OD2 3.85Å; K126-D182 PolarHBondContact NZ-OD2 2.59Å
127D94.9Very high94.3Very high89 Ų89114.7 Ų114.748%0.47657%0.57SS.*  trans-68.1139.4169.5-175.917.2000108.8N129 R130D127-N129 PolarHBondContact OD1-N 3.35Å; D127-R130 HydrophobicContact CB-CB 4.38Å; D127-R130 WeakPolarHBondContact OD2-CB 3.42Å; D127-R130 PolarHBondContact OD2-N 3.44Å
128L94.6Very high94.3Very high91 Ų91123 Ų12348%0.47659%0.586SS.*SBendtrans-108-19.7179.2-60.8-179000111.7Q132L128-Q132 PolarHBondContact O-NE2 3.33Å
129N94.6Very high94.2Very high113 Ų113117.2 Ų117.260%0.60457%0.57SS**SBendtrans-77.5-29.8179-62.515.2000110.6D127 G131 Q132D127-N129 PolarHBondContact OD1-N 3.35Å; N129-G131 PolarHBondContact O-N 2.74Å; N129-Q132 PolarHBondContact O-N 2.98Å; N129-Q132 VanDerWaalsContact O-N 3.12Å
130R92.9Very high94.2Very high155 Ų155106.3 Ų106.359%0.58553%0.529SS*.THydrogen-bonded Turntrans-55.2120.9172.6-172.7-178-160.1160.718112D127D127-R130 HydrophobicContact CB-CB 4.38Å; D127-R130 WeakPolarHBondContact OD2-CB 3.42Å; D127-R130 PolarHBondContact OD2-N 3.44Å
131G91.7Very high94.2Very high54 Ų54103.7 Ų103.756%0.55751%0.507SS*.THydrogen-bonded Turntrans8910.1178.300000114.1N129N129-G131 PolarHBondContact O-N 2.74Å
132Q93.4Very high94.2Very high140 Ų14096.1 Ų96.165%0.65448%0.476SS*.  trans-96.9146164.8-57.4-172.434.300109.7L128 N129L128-Q132 PolarHBondContact O-NE2 3.33Å; N129-Q132 PolarHBondContact O-N 2.98Å; N129-Q132 VanDerWaalsContact O-N 3.12Å
133I94Very high94.2Very high116 Ų11693.9 Ų93.960%0.59546%0.464SS*.  trans-115.8142.4176.5-60.2172000107.6G135 E136I133-G135 PolarHBondContact O-N 3.09Å; I133-E136 HydrophobicContact CB-CB 4.45Å; I133-E136 HydrophobicContact CB-CG 3.8Å; I133-E136 HydrophobicContact CG2-CG 4.23Å; I133-E136 WeakPolarHBondContact O-CB 3.5Å; I133-E136 PolarHBondContact O-N 2.89Å
134I95.3Very high94.1Very high135 Ų13589 Ų8969%0.69245%0.446SS*.THydrogen-bonded Turntrans-67.8132.5179.9-58.6177.3000109.2E136 L146I134-E136 VanDerWaalsContact C-N 3.35Å; I134-L146 HydrophobicContact CG2-CD2 4.32Å
135G93.3Very high94Very high26 Ų2684.5 Ų84.527%0.26844%0.442SS..THydrogen-bonded Turntrans90.3-14.6-175.700000114.8I133I133-G135 PolarHBondContact O-N 3.09Å
136E94.4Very high93.9Very high54 Ų5484.1 Ų84.125%0.25245%0.448SS..  trans-74.7141.8174.6-73.6-58.513600112.8I133 I134 N147 R162I133-E136 HydrophobicContact CB-CB 4.45Å; I133-E136 HydrophobicContact CB-CG 3.8Å; I133-E136 HydrophobicContact CG2-CG 4.23Å; I133-E136 WeakPolarHBondContact O-CB 3.5Å; I133-E136 PolarHBondContact O-N 2.89Å; I134-E136 VanDerWaalsContact C-N 3.35Å; E136-N147 WeakPolarHBondContact OE1-CB 3.4Å; E136-N147 PolarHBondContact OE1-ND2 3.26Å; E136-R162 VanDerWaalsContact CD-NH2 3.3Å; E136-R162 IonicContact OE1-CZ 3.68Å; E136-R162 IonicContact OE1-NH1 3.76Å; E136-R162 IonicContact OE1-NH2 2.72Å; E136-R162 PolarHBondContact OE1-NH2 3.49Å; E136-R162 IonicContact OE2-CZ 3.39Å; E136-R162 IonicContact OE2-NH1 2.72Å; E136-R162 PolarHBondContact OE2-NH1 3.25Å; E136-R162 IonicContact OE2-NH2 3.16Å; E136-R162 PolarHBondContact OE2-NH2 3.21Å; E136-R162 VanDerWaalsContact OE2-NH2 3.16Å
137G93.2Very high93.8Very high40 Ų4083.2 Ų83.241%0.41245%0.445SS..  trans-169.8164.5179.500000112.6S139 G140 Q167G137-S139 PolarHBondContact O-N 2.87Å; G137-S139 VanDerWaalsContact O-N 3.09Å; G137-G140 PolarHBondContact O-N 3.47Å; G137-Q167 PolarHBondContact O-NE2 3.35Å
138R93.2Very high93.8Very high223 Ų22380.2 Ų80.284%0.84243%0.43SS*.THydrogen-bonded Turntrans-56.6-27.8-174.5-68-178.7177.8179.9-3.1114.6G140R138-G140 PolarHBondContact O-N 3.36Å
139S93.4Very high93.7Very high73 Ų7380.2 Ų80.251%0.5144%0.436SS..THydrogen-bonded Turntrans-74.2-11.1179-46.70000113.5G137 F141 Q161G137-S139 PolarHBondContact O-N 2.87Å; G137-S139 VanDerWaalsContact O-N 3.09Å; S139-F141 VanDerWaalsContact C-N 3.34Å; S139-F141 PolarHBondContact O-N 3.23Å; S139-Q161 WeakPolarHBondContact O-CG 3.03Å; S139-Q161 PolarHBondContact O-NE2 3.12Å
140G93.9Very high93.7Very high1 Ų179.5 Ų79.51%0.0143%0.431CS..  trans68.624.1176.800000115.6G137 R138 Q161 R162 Q167G137-G140 PolarHBondContact O-N 3.47Å; R138-G140 PolarHBondContact O-N 3.36Å; G140-Q161 WeakPolarHBondContact O-CA 3.36Å; G140-R162 PolarHBondContact O-N 2.75Å; G140-Q167 VanDerWaalsContact CA-OE1 3.23Å
141F96.2Very high93.7Very high76 Ų7676.7 Ų76.733%0.33343%0.427SS..EExtended strand (participates in β ladder)trans-65.8145.3176.3-78.8-72.3000112.5S139 W143 N147 I159 G160 Q161S139-F141 VanDerWaalsContact C-N 3.34Å; S139-F141 PolarHBondContact O-N 3.23Å; F141-W143 HydrophobicContact CB-CD2 4.35Å; F141-W143 VanDerWaalsContact CB-CE2 3.5Å; F141-W143 HydrophobicContact CB-CH2 4.43Å; F141-W143 HydrophobicContact CB-CZ2 3.55Å; F141-W143 HydrophobicContact CD1-CH2 4.4Å; F141-W143 HydrophobicContact CD1-CZ2 4.25Å; F141-W143 HydrophobicContact CD2-CZ2 4Å; F141-W143 HydrophobicContact CG-CH2 4.27Å; F141-W143 AromaticContact CG-CZ2 3.69Å; F141-W143 HydrophobicContact CG-CZ2 3.69Å; F141-N147 PolarHBondContact O-ND2 3.11Å; F141-I159 HydrophobicContact CD1-CG2 4.31Å; F141-G160 WeakPolarHBondContact CA-O 3.3Å; F141-G160 WeakPolarHBondContact CD1-O 3.4Å; F141-Q161 HydrophobicContact CD1-CB 4.31Å; F141-Q161 HydrophobicContact CD1-CG 4.39Å; F141-Q161 HydrophobicContact CE1-CB 4.46Å; F141-Q161 HydrophobicContact CE1-CG 4.49Å
142L94.7Very high93.7Very high43 Ų4380.5 Ų80.523%0.22543%0.428CS..EExtended strand (participates in β ladder)trans-113.9111.2177.2-55.5-179.9000108V148 G160 R162L142-V148 HydrophobicContact CB-CG1 4Å; L142-V148 HydrophobicContact CB-CG2 4.2Å; L142-V148 HydrophobicContact CD2-CG1 3.87Å; L142-V148 HydrophobicContact CG-CG1 4.35Å; L142-G160 PolarHBondContact N-O 2.87Å; L142-G160 PolarHBondContact O-N 3.18Å; L142-R162 HydrophobicContact CD1-CG 4.49Å; L142-R162 HydrophobicContact CD2-CG 3.99Å; L142-R162 HydrophobicContact CG-CG 4.38Å
143W95.4Very high93.5Very high91 Ų9179.7 Ų79.735%0.34544%0.438SS..  trans-107.4108.6-174.4-56.4107.1000109.6F141 G145 L146 N147 V148 I159F141-W143 HydrophobicContact CB-CD2 4.35Å; F141-W143 VanDerWaalsContact CB-CE2 3.5Å; F141-W143 HydrophobicContact CB-CH2 4.43Å; F141-W143 HydrophobicContact CB-CZ2 3.55Å; F141-W143 HydrophobicContact CD1-CH2 4.4Å; F141-W143 HydrophobicContact CD1-CZ2 4.25Å; F141-W143 HydrophobicContact CD2-CZ2 4Å; F141-W143 HydrophobicContact CG-CH2 4.27Å; F141-W143 AromaticContact CG-CZ2 3.69Å; F141-W143 HydrophobicContact CG-CZ2 3.69Å; W143-G145 PolarHBondContact O-N 2.84Å; W143-L146 HydrophobicContact CB-CB 4.03Å; W143-L146 HydrophobicContact CB-CD1 4.15Å; W143-L146 HydrophobicContact CB-CG 4.47Å; W143-L146 PolarHBondContact O-N 2.99Å; W143-N147 PolarHBondContact N-OD1 3.47Å; W143-N147 PolarHBondContact O-N 3.44Å; W143-N147 PolarHBondContact O-OD1 2.78Å; W143-V148 PolarHBondContact O-N 3.35Å; W143-I159 HydrophobicContact CE3-CD1 4.46Å; W143-I159 HydrophobicContact CE3-CG1 4.22Å; W143-I159 HydrophobicContact CE3-CG2 4.01Å; W143-I159 HydrophobicContact CH2-CG2 4.4Å; W143-I159 HydrophobicContact CZ3-CD1 4.05Å; W143-I159 HydrophobicContact CZ3-CG1 4.23Å; W143-I159 HydrophobicContact CZ3-CG2 3.77Å
144P93.5Very high93.3Very high34 Ų3477.6 Ų77.622%0.22145%0.445CS..BIsolated β-bridgetrans-54.5121.8176.7-24.132.9000111.5L150 Q157P144-L150 HydrophobicContact CB-CD1 3.9Å; P144-Q157 HydrophobicContact CB-CB 4.44Å; P144-Q157 HydrophobicContact CG-CB 4.14Å; P144-Q157 WeakPolarHBondContact CG-O 3.5Å
145G92.1Very high93.1Very high54 Ų5476 Ų7656%0.55744%0.441SS*.THydrogen-bonded Turntrans89.1-3.5-178.300000116.1W143 V148W143-G145 PolarHBondContact O-N 2.84Å; G145-V148 PolarHBondContact N-O 2.77Å
146L93.5Very high93Very high110 Ų11079 Ų7958%0.57645%0.454SS*.THydrogen-bonded Turntrans-113.2-65.6173.5-65.9176.4000112.7I134 W143I134-L146 HydrophobicContact CG2-CD2 4.32Å; W143-L146 HydrophobicContact CB-CB 4.03Å; W143-L146 HydrophobicContact CB-CD1 4.15Å; W143-L146 HydrophobicContact CB-CG 4.47Å; W143-L146 PolarHBondContact O-N 2.99Å
147N92.7Very high92.8Very high30 Ų3078.7 Ų78.716%0.1645%0.452CS..THydrogen-bonded Turntrans-110.2-14.4178.668.4-23.3000113.9E136 F141 W143E136-N147 WeakPolarHBondContact OE1-CB 3.4Å; E136-N147 PolarHBondContact OE1-ND2 3.26Å; F141-N147 PolarHBondContact O-ND2 3.11Å; W143-N147 PolarHBondContact N-OD1 3.47Å; W143-N147 PolarHBondContact O-N 3.44Å; W143-N147 PolarHBondContact O-OD1 2.78Å
148V93.2Very high92.7Very high26 Ų2683.6 Ų83.616%0.15847%0.469CS..BIsolated β-bridgetrans-124.6150.4169.7-60.80000111.1L142 W143 G145L142-V148 HydrophobicContact CB-CG1 4Å; L142-V148 HydrophobicContact CB-CG2 4.2Å; L142-V148 HydrophobicContact CD2-CG1 3.87Å; L142-V148 HydrophobicContact CG-CG1 4.35Å; W143-V148 PolarHBondContact O-N 3.35Å; G145-V148 PolarHBondContact N-O 2.77Å
149P94.2Very high92.8Very high91 Ų9178.4 Ų78.459%0.59146%0.457SS*.  trans-55.7146.4177.2-26.235.3000112.5I151 Q157P149-I151 VanDerWaalsContact C-N 3.31Å; P149-I151 PolarHBondContact O-N 2.87Å; P149-Q157 PolarHBondContact O-NE2 3.18Å
150L93.2Very high92.7Very high97 Ų9776.2 Ų76.251%0.50845%0.446SS..SBendtrans-64.5-35.9179.9-176.662000112.5P144 V156 Q157P144-L150 HydrophobicContact CB-CD1 3.9Å; L150-V156 HydrophobicContact CD1-CG1 4.22Å; L150-V156 WeakPolarHBondContact O-CA 3.25Å; L150-Q157 PolarHBondContact O-N 2.75Å
151I93.2Very high92.8Very high96 Ų9682 Ų8249%0.49247%0.473SS..EExtended strand (participates in β ladder)trans-121.9139.4-177.6-59.3175000109.1P149 V155 V156P149-I151 VanDerWaalsContact C-N 3.31Å; P149-I151 PolarHBondContact O-N 2.87Å; I151-V155 CarbonylContact C-O 3.59Å; I151-V155 WeakPolarHBondContact CA-O 3.45Å; I151-V156 HydrophobicContact CG1-CG2 4.33Å
152K91.4Very high92.7Very high135 Ų13580.6 Ų80.659%0.58747%0.465SS*.EExtended strand (participates in β ladder)trans-138.9127.7173.7-172.4177.9178.9-174.20108.9G154 V155 Q157K152-G154 PolarHBondContact O-N 3.48Å; K152-V155 PolarHBondContact N-O 3.03Å; K152-V155 PolarHBondContact O-N 3.36Å; K152-Q157 HydrophobicContact CB-CG 3.71Å; K152-Q157 VanDerWaalsContact CD-OE1 3.24Å
153S89.8Confident92.7Very high122 Ų12281.3 Ų81.385%0.85347%0.474SS*.THydrogen-bonded Turntrans51.538.2-176.3-52.90000114.2V155S153-V155 VanDerWaalsContact C-N 3.27Å; S153-V155 PolarHBondContact O-N 3.22Å
154G89.8Confident92.7Very high72 Ų7285 Ų8574%0.74249%0.492SS*.THydrogen-bonded Turntrans82-11-179.100000115.8K152K152-G154 PolarHBondContact O-N 3.48Å
155V90.5Very high92.8Very high102 Ų10289 Ų8962%0.61851%0.508SS*.EExtended strand (participates in β ladder)trans-103.8141-178.6-172.40000110.4I151 K152 S153 Q157I151-V155 CarbonylContact C-O 3.59Å; I151-V155 WeakPolarHBondContact CA-O 3.45Å; K152-V155 PolarHBondContact N-O 3.03Å; K152-V155 PolarHBondContact O-N 3.36Å; S153-V155 VanDerWaalsContact C-N 3.27Å; S153-V155 PolarHBondContact O-N 3.22Å; V155-Q157 PolarHBondContact O-N 3.41Å
156V91.1Very high92.9Very high88 Ų8891.2 Ų91.253%0.53350%0.504SS..EExtended strand (participates in β ladder)trans-66.3130.4172.3179.80000109.1L150 I151L150-V156 HydrophobicContact CD1-CG1 4.22Å; L150-V156 WeakPolarHBondContact O-CA 3.25Å; I151-V156 HydrophobicContact CG1-CG2 4.33Å
157Q89.9Confident93Very high48 Ų4886.7 Ų86.722%0.22448%0.48CS..PPolyproline II helixtrans-75140.9177.5-66-164.5102.900110.8P144 P149 L150 K152 V155P144-Q157 HydrophobicContact CB-CB 4.44Å; P144-Q157 HydrophobicContact CG-CB 4.14Å; P144-Q157 WeakPolarHBondContact CG-O 3.5Å; P149-Q157 PolarHBondContact O-NE2 3.18Å; L150-Q157 PolarHBondContact O-N 2.75Å; K152-Q157 HydrophobicContact CB-CG 3.71Å; K152-Q157 VanDerWaalsContact CD-OE1 3.24Å; V155-Q157 PolarHBondContact O-N 3.41Å
158N91.8Very high93.1Very high143 Ų14390.8 Ų90.877%0.76550%0.498SS*.PPolyproline II helixtrans-84.3168.2169.3-72.8-27.6000111G160N158-G160 PolarHBondContact O-N 2.69Å
159I94.8Very high93.2Very high114 Ų11495.3 Ų95.359%0.58552%0.515SS*.PPolyproline II helixtrans-61.8123.3170.9-59.4164000108.6F141 W143F141-I159 HydrophobicContact CD1-CG2 4.31Å; W143-I159 HydrophobicContact CE3-CD1 4.46Å; W143-I159 HydrophobicContact CE3-CG1 4.22Å; W143-I159 HydrophobicContact CE3-CG2 4.01Å; W143-I159 HydrophobicContact CH2-CG2 4.4Å; W143-I159 HydrophobicContact CZ3-CD1 4.05Å; W143-I159 HydrophobicContact CZ3-CG1 4.23Å; W143-I159 HydrophobicContact CZ3-CG2 3.77Å
160G92.1Very high93.2Very high27 Ų2792.9 Ų92.928%0.27850%0.499SS..EExtended strand (participates in β ladder)trans-117.5174.5179.500000112.7F141 L142 N158F141-G160 WeakPolarHBondContact CA-O 3.3Å; F141-G160 WeakPolarHBondContact CD1-O 3.4Å; L142-G160 PolarHBondContact N-O 2.87Å; L142-G160 PolarHBondContact O-N 3.18Å; N158-G160 PolarHBondContact O-N 2.69Å
161Q94.9Very high93.2Very high124 Ų12491.7 Ų91.758%0.57949%0.491SS*.EExtended strand (participates in β ladder)trans-139.8138169.9-165.8179.67.100109.2S139 G140 F141S139-Q161 WeakPolarHBondContact O-CG 3.03Å; S139-Q161 PolarHBondContact O-NE2 3.12Å; G140-Q161 WeakPolarHBondContact O-CA 3.36Å; F141-Q161 HydrophobicContact CD1-CB 4.31Å; F141-Q161 HydrophobicContact CD1-CG 4.39Å; F141-Q161 HydrophobicContact CE1-CB 4.46Å; F141-Q161 HydrophobicContact CE1-CG 4.49Å
162R94.9Very high93.4Very high46 Ų4689.4 Ų89.417%0.17449%0.486CS..  trans-65.9151.7174.2-68.7-177.1-170.8120.29.3111.4E136 G140 L142 E166 Q167E136-R162 VanDerWaalsContact CD-NH2 3.3Å; E136-R162 IonicContact OE1-CZ 3.68Å; E136-R162 IonicContact OE1-NH1 3.76Å; E136-R162 IonicContact OE1-NH2 2.72Å; E136-R162 PolarHBondContact OE1-NH2 3.49Å; E136-R162 IonicContact OE2-CZ 3.39Å; E136-R162 IonicContact OE2-NH1 2.72Å; E136-R162 PolarHBondContact OE2-NH1 3.25Å; E136-R162 IonicContact OE2-NH2 3.16Å; E136-R162 PolarHBondContact OE2-NH2 3.21Å; E136-R162 VanDerWaalsContact OE2-NH2 3.16Å; G140-R162 PolarHBondContact O-N 2.75Å; L142-R162 HydrophobicContact CD1-CG 4.49Å; L142-R162 HydrophobicContact CD2-CG 3.99Å; L142-R162 HydrophobicContact CG-CG 4.38Å; R162-E166 HydrophobicContact CB-CB 4.1Å; R162-E166 HydrophobicContact CG-CB 4.45Å; R162-Q167 HydrophobicContact CB-CB 4.4Å
163S95.7Very high93.6Very high57 Ų5786 Ų8640%0.39948%0.476SS..  trans-61.7156.8163.2670000111.2E165 E166 Q167S163-E165 PolarHBondContact O-N 2.65Å; S163-E166 VanDerWaalsContact CB-OE2 3.31Å; S163-E166 WeakPolarHBondContact CB-OE2 3.49Å; S163-E166 PolarHBondContact N-OE2 3.18Å; S163-E166 PolarHBondContact O-N 3.3Å; S163-E166 WeakPolarHBondContact OG-CB 3.49Å; S163-E166 VanDerWaalsContact OG-CD 3.24Å; S163-E166 WeakPolarHBondContact OG-CG 3.45Å; S163-E166 PolarHBondContact OG-N 2.9Å; S163-E166 PolarHBondContact OG-OE2 2.77Å; S163-Q167 PolarHBondContact O-N 2.77Å
164K95.3Very high93.7Very high168 Ų16883.9 Ų83.973%0.7345%0.454SS*.Hα-helixtrans-55.7-37.4177-174.4179.1178.5-176.30112.2Q168K164-Q168 WeakPolarHBondContact O-CB 3.38Å; K164-Q168 VanDerWaalsContact O-CG 3.28Å; K164-Q168 WeakPolarHBondContact O-CG 3.23Å; K164-Q168 PolarHBondContact O-N 2.9Å
165E95.4Very high93.9Very high120 Ų12084.2 Ų84.256%0.56144%0.442SS*.Hα-helixtrans-71.1-43.9178.1-64.7-175.1-15700113.2S163 Q167 Q168 K169S163-E165 PolarHBondContact O-N 2.65Å; E165-Q167 VanDerWaalsContact C-N 3.33Å; E165-Q168 PolarHBondContact O-N 3.35Å; E165-K169 WeakPolarHBondContact O-CD 3.35Å; E165-K169 VanDerWaalsContact O-CG 3.24Å; E165-K169 WeakPolarHBondContact O-CG 3.43Å; E165-K169 PolarHBondContact O-N 3.1Å; E165-K169 IonicContact OE2-NZ 3.04Å; E165-K169 PolarHBondContact OE2-NZ 3.22Å
166E94.5Very high94.2Very high99 Ų9985.3 Ų85.346%0.46344%0.44SS..Hα-helixtrans-62.4-42.8176.2-72.9165.113000110.9R162 S163 Q168 K169 V170R162-E166 HydrophobicContact CB-CB 4.1Å; R162-E166 HydrophobicContact CG-CB 4.45Å; S163-E166 VanDerWaalsContact CB-OE2 3.31Å; S163-E166 WeakPolarHBondContact CB-OE2 3.49Å; S163-E166 PolarHBondContact N-OE2 3.18Å; S163-E166 PolarHBondContact O-N 3.3Å; S163-E166 WeakPolarHBondContact OG-CB 3.49Å; S163-E166 VanDerWaalsContact OG-CD 3.24Å; S163-E166 WeakPolarHBondContact OG-CG 3.45Å; S163-E166 PolarHBondContact OG-N 2.9Å; S163-E166 PolarHBondContact OG-OE2 2.77Å; E166-Q168 VanDerWaalsContact C-N 3.32Å; E166-Q168 PolarHBondContact O-N 3.44Å; E166-K169 PolarHBondContact O-N 3.2Å; E166-V170 WeakPolarHBondContact O-CG2 3.44Å; E166-V170 PolarHBondContact O-N 2.66Å
167Q94.3Very high94.3Very high16 Ų1686.2 Ų86.28%0.07544%0.438CS..Hα-helixtrans-63.2-38.9176-17758.822.500111.6G137 G140 R162 S163 E165 V170 E171G137-Q167 PolarHBondContact O-NE2 3.35Å; G140-Q167 VanDerWaalsContact CA-OE1 3.23Å; R162-Q167 HydrophobicContact CB-CB 4.4Å; S163-Q167 PolarHBondContact O-N 2.77Å; E165-Q167 VanDerWaalsContact C-N 3.33Å; Q167-V170 PolarHBondContact O-N 3.37Å; Q167-E171 PolarHBondContact NE2-OE1 2.93Å; Q167-E171 WeakPolarHBondContact O-CG 3.33Å; Q167-E171 PolarHBondContact O-N 3.32Å
168Q95.1Very high94.6Very high115 Ų11591.2 Ų91.254%0.53746%0.455SS..Hα-helixtrans-64.4-39.2172.4-76.5175.5-1400112.7K164 E165 E166 E171 A172K164-Q168 WeakPolarHBondContact O-CB 3.38Å; K164-Q168 VanDerWaalsContact O-CG 3.28Å; K164-Q168 WeakPolarHBondContact O-CG 3.23Å; K164-Q168 PolarHBondContact O-N 2.9Å; E165-Q168 PolarHBondContact O-N 3.35Å; E166-Q168 VanDerWaalsContact C-N 3.32Å; E166-Q168 PolarHBondContact O-N 3.44Å; Q168-E171 PolarHBondContact O-N 3.43Å; Q168-A172 WeakPolarHBondContact O-CB 3.36Å; Q168-A172 PolarHBondContact O-N 2.98Å
169K95.9Very high94.7Very high122 Ų12290 Ų9053%0.5345%0.445SS..Hα-helixtrans-64.6-38.9174.5-68.5158.3-167.9162.60111.4E165 E166 T173E165-K169 WeakPolarHBondContact O-CD 3.35Å; E165-K169 VanDerWaalsContact O-CG 3.24Å; E165-K169 WeakPolarHBondContact O-CG 3.43Å; E165-K169 PolarHBondContact O-N 3.1Å; E165-K169 IonicContact OE2-NZ 3.04Å; E165-K169 PolarHBondContact OE2-NZ 3.22Å; E166-K169 PolarHBondContact O-N 3.2Å; K169-T173 WeakPolarHBondContact O-CG2 3.08Å; K169-T173 PolarHBondContact O-N 3.25Å; K169-T173 PolarHBondContact O-OG1 3.43Å
170V94Very high94.8Very high39 Ų3988.5 Ų88.524%0.23644%0.436CS..Hα-helixtrans-66.5-42.5173.4172.10000111.6E166 Q167 T173 M174E166-V170 WeakPolarHBondContact O-CG2 3.44Å; E166-V170 PolarHBondContact O-N 2.66Å; Q167-V170 PolarHBondContact O-N 3.37Å; V170-T173 WeakPolarHBondContact CA-OG1 3.13Å; V170-T173 PolarHBondContact O-OG1 3.2Å; V170-T173 VanDerWaalsContact O-OG1 3.08Å; V170-M174 HydrophobicContact CG1-CE 4.16Å; V170-M174 WeakPolarHBondContact O-CB 3.35Å; V170-M174 WeakPolarHBondContact O-CG 3.38Å; V170-M174 PolarHBondContact O-N 2.98Å
171E93.8Very high94.8Very high73 Ų7392.5 Ų92.534%0.34144%0.442SS..Hα-helixtrans-68-37.8176.7-72.7-176.4-166.600112.7Q167 Q168 M174 V175Q167-E171 PolarHBondContact NE2-OE1 2.93Å; Q167-E171 WeakPolarHBondContact O-CG 3.33Å; Q167-E171 PolarHBondContact O-N 3.32Å; Q168-E171 PolarHBondContact O-N 3.43Å; E171-M174 HydrophobicContact CB-CE 4.42Å; E171-M174 HydrophobicContact CG-CE 3.86Å; E171-M174 PolarHBondContact O-N 3.4Å; E171-V175 WeakPolarHBondContact O-CG2 3.4Å; E171-V175 PolarHBondContact O-N 3.02Å; E171-V175 VanDerWaalsContact O-N 3.11Å
172A96Very high94.8Very high48 Ų4888.8 Ų88.840%0.39743%0.426SS..Hα-helixtrans-62.2-51.3173.500000112Q168 M174 V175 E176Q168-A172 WeakPolarHBondContact O-CB 3.36Å; Q168-A172 PolarHBondContact O-N 2.98Å; A172-M174 VanDerWaalsContact C-N 3.32Å; A172-M174 PolarHBondContact O-N 3.15Å; A172-V175 WeakPolarHBondContact O-CA 3.36Å; A172-V175 WeakPolarHBondContact O-CB 2.98Å; A172-V175 PolarHBondContact O-N 2.77Å; A172-E176 WeakPolarHBondContact O-CG 3.28Å; A172-E176 PolarHBondContact O-N 3.04Å
173T95.4Very high94.8Very high62 Ų6293.9 Ų93.938%0.3845%0.446SS..Hα-helixtrans-63.6-33.7179.150.20000112.8K169 V170 V175 E176 Q177K169-T173 WeakPolarHBondContact O-CG2 3.08Å; K169-T173 PolarHBondContact O-N 3.25Å; K169-T173 PolarHBondContact O-OG1 3.43Å; V170-T173 WeakPolarHBondContact CA-OG1 3.13Å; V170-T173 PolarHBondContact O-OG1 3.2Å; V170-T173 VanDerWaalsContact O-OG1 3.08Å; T173-V175 VanDerWaalsContact C-N 3.35Å; T173-E176 PolarHBondContact O-N 3.31Å; T173-Q177 WeakPolarHBondContact O-CB 3.47Å; T173-Q177 VanDerWaalsContact O-CG 3.3Å; T173-Q177 WeakPolarHBondContact O-CG 3.39Å; T173-Q177 PolarHBondContact O-N 3.22Å
174M92.9Very high94.7Very high78 Ų7896.3 Ų96.338%0.38445%0.449SS..Hα-helixtrans-62.9-38169.5-77.6-167.6-65.100112.8V170 E171 A172 R178V170-M174 HydrophobicContact CG1-CE 4.16Å; V170-M174 WeakPolarHBondContact O-CB 3.35Å; V170-M174 WeakPolarHBondContact O-CG 3.38Å; V170-M174 PolarHBondContact O-N 2.98Å; E171-M174 HydrophobicContact CB-CE 4.42Å; E171-M174 HydrophobicContact CG-CE 3.86Å; E171-M174 PolarHBondContact O-N 3.4Å; A172-M174 VanDerWaalsContact C-N 3.32Å; A172-M174 PolarHBondContact O-N 3.15Å; M174-R178 VanDerWaalsContact O-CB 3.25Å; M174-R178 WeakPolarHBondContact O-CB 3.14Å; M174-R178 PolarHBondContact O-N 2.98Å; M174-R178 VanDerWaalsContact O-N 3.11Å
175V94.2Very high94.5Very high80 Ų8094.5 Ų94.549%0.48544%0.437SS..Hα-helixtrans-67.3-46.9174.9170.40000110.8E171 A172 T173 Q177 R178 E179E171-V175 WeakPolarHBondContact O-CG2 3.4Å; E171-V175 PolarHBondContact O-N 3.02Å; E171-V175 VanDerWaalsContact O-N 3.11Å; A172-V175 WeakPolarHBondContact O-CA 3.36Å; A172-V175 WeakPolarHBondContact O-CB 2.98Å; A172-V175 PolarHBondContact O-N 2.77Å; T173-V175 VanDerWaalsContact C-N 3.35Å; V175-Q177 PolarHBondContact O-N 2.97Å; V175-R178 WeakPolarHBondContact O-CB 3.4Å; V175-R178 PolarHBondContact O-N 2.83Å; V175-R178 VanDerWaalsContact O-N 3.12Å; V175-E179 HydrophobicContact CG1-CG 4.48Å; V175-E179 WeakPolarHBondContact O-CG 3.24Å; V175-E179 PolarHBondContact O-N 3.25Å
176E95.7Very high94.4Very high125 Ų12596.7 Ų96.758%0.58445%0.445SS*.Hα-helixtrans-56.4-50.1177.1-70173.5168.100112.1A172 T173 R178 E179 E180A172-E176 WeakPolarHBondContact O-CG 3.28Å; A172-E176 PolarHBondContact O-N 3.04Å; T173-E176 PolarHBondContact O-N 3.31Å; E176-R178 VanDerWaalsContact C-N 3.3Å; E176-R178 PolarHBondContact O-N 3.25Å; E176-E179 PolarHBondContact O-N 3.29Å; E176-E180 WeakPolarHBondContact O-CB 3.34Å; E176-E180 PolarHBondContact O-N 3.12Å
177Q94.8Very high94.4Very high107 Ų10797.6 Ų97.650%0.545%0.452SS..Hα-helixtrans-58.2-42175.3-71.8178.127.500111.8T173 V175 E180 W181T173-Q177 WeakPolarHBondContact O-CB 3.47Å; T173-Q177 VanDerWaalsContact O-CG 3.3Å; T173-Q177 WeakPolarHBondContact O-CG 3.39Å; T173-Q177 PolarHBondContact O-N 3.22Å; V175-Q177 PolarHBondContact O-N 2.97Å; Q177-E180 PolarHBondContact O-N 3.49Å; Q177-W181 PolarHBondContact O-N 3.25Å
178R94.7Very high94.3Very high153 Ų153106 Ų10658%0.57749%0.488SS*.Hα-helixtrans-66.3-37179.6-171.6-175.7-166.9-141.38.5112.2M174 V175 E176 D182M174-R178 VanDerWaalsContact O-CB 3.25Å; M174-R178 WeakPolarHBondContact O-CB 3.14Å; M174-R178 PolarHBondContact O-N 2.98Å; M174-R178 VanDerWaalsContact O-N 3.11Å; V175-R178 WeakPolarHBondContact O-CB 3.4Å; V175-R178 PolarHBondContact O-N 2.83Å; V175-R178 VanDerWaalsContact O-N 3.12Å; E176-R178 VanDerWaalsContact C-N 3.3Å; E176-R178 PolarHBondContact O-N 3.25Å; R178-D182 PolarHBondContact O-N 2.91Å
179E95.3Very high94.3Very high116 Ų116106.4 Ų106.454%0.54250%0.499SS..Hα-helixtrans-69.4-41.9172-71.5-150.7165.700112.2V175 E176 W181 D182 R183V175-E179 HydrophobicContact CG1-CG 4.48Å; V175-E179 WeakPolarHBondContact O-CG 3.24Å; V175-E179 PolarHBondContact O-N 3.25Å; E176-E179 PolarHBondContact O-N 3.29Å; E179-W181 VanDerWaalsContact C-N 3.34Å; E179-W181 PolarHBondContact O-N 3.2Å; E179-D182 CarbonylContact O-C 3.5Å; E179-D182 PolarHBondContact O-N 2.94Å; E179-R183 VanDerWaalsContact O-CB 3.23Å; E179-R183 WeakPolarHBondContact O-CB 3.19Å; E179-R183 PolarHBondContact O-N 2.66Å
180E95.9Very high94.1Very high84 Ų84110.6 Ų110.639%0.39352%0.517SS..Hα-helixtrans-62.5-41.7177.9-158.2-135.5-167.300111.2E176 Q177 R183 K184E176-E180 WeakPolarHBondContact O-CB 3.34Å; E176-E180 PolarHBondContact O-N 3.12Å; Q177-E180 PolarHBondContact O-N 3.49Å; E180-R183 WeakPolarHBondContact O-CB 3.32Å; E180-R183 PolarHBondContact O-N 3.41Å; E180-K184 HydrophobicContact CG-CD 4.48Å; E180-K184 WeakPolarHBondContact O-CB 3.45Å; E180-K184 WeakPolarHBondContact O-CG 3.05Å; E180-K184 PolarHBondContact O-N 3.4Å; E180-K184 WeakPolarHBondContact OE1-CE 3.49Å; E180-K184 IonicContact OE1-NZ 2.84Å; E180-K184 PolarHBondContact OE1-NZ 2.9Å; E180-K184 WeakPolarHBondContact OE2-CE 3.09Å; E180-K184 IonicContact OE2-NZ 3.62Å; E180-K184 PolarHBondContact OE2-NZ 2.89Å
181W93.2Very high94.1Very high110 Ų110114.5 Ų114.542%0.41753%0.527SS..Hα-helixtrans-60-45.2171-85.1114.5000112.9Q177 E179 R183 R185Q177-W181 PolarHBondContact O-N 3.25Å; E179-W181 VanDerWaalsContact C-N 3.34Å; E179-W181 PolarHBondContact O-N 3.2Å; W181-R183 VanDerWaalsContact C-N 3.34Å; W181-R185 VanDerWaalsContact O-CB 3.24Å; W181-R185 WeakPolarHBondContact O-CB 3.49Å; W181-R185 PolarHBondContact O-N 2.96Å
182D93.3Very high94.1Very high46 Ų46117 Ų11725%0.24654%0.539CS..Hα-helixtrans-69.7-31.1176.3-87.2-5.7000112.2K126 R178 E179 R185 K186K126-D182 IonicContact NZ-OD1 3.83Å; K126-D182 PolarHBondContact NZ-OD1 3.45Å; K126-D182 IonicContact NZ-OD2 3.85Å; K126-D182 PolarHBondContact NZ-OD2 2.59Å; R178-D182 PolarHBondContact O-N 2.91Å; E179-D182 CarbonylContact O-C 3.5Å; E179-D182 PolarHBondContact O-N 2.94Å; D182-R185 PolarHBondContact O-N 3.28Å; D182-K186 WeakPolarHBondContact O-CB 3.21Å; D182-K186 WeakPolarHBondContact O-CD 3.42Å; D182-K186 WeakPolarHBondContact O-CG 3.44Å; D182-K186 PolarHBondContact O-N 3.07Å
183R94.8Very high94Very high154 Ų154123.9 Ų123.958%0.58155%0.554SS**Hα-helixtrans-65.6-54.2174.6-166.8-175.9-57.6-160.42.7110E179 E180 W181 R185 K186 I187E179-R183 VanDerWaalsContact O-CB 3.23Å; E179-R183 WeakPolarHBondContact O-CB 3.19Å; E179-R183 PolarHBondContact O-N 2.66Å; E180-R183 WeakPolarHBondContact O-CB 3.32Å; E180-R183 PolarHBondContact O-N 3.41Å; W181-R183 VanDerWaalsContact C-N 3.34Å; R183-R185 PolarHBondContact O-N 3.43Å; R183-K186 PolarHBondContact O-N 3.44Å; R183-I187 WeakPolarHBondContact O-CG1 3.39Å; R183-I187 PolarHBondContact O-N 3.42Å
184K94.1Very high94Very high108 Ų108121.5 Ų121.547%0.4754%0.542SS..Hα-helixtrans-53-39.8171.9-74170.8175.11680111.8E180E180-K184 HydrophobicContact CG-CD 4.48Å; E180-K184 WeakPolarHBondContact O-CB 3.45Å; E180-K184 WeakPolarHBondContact O-CG 3.05Å; E180-K184 PolarHBondContact O-N 3.4Å; E180-K184 WeakPolarHBondContact OE1-CE 3.49Å; E180-K184 IonicContact OE1-NZ 2.84Å; E180-K184 PolarHBondContact OE1-NZ 2.9Å; E180-K184 WeakPolarHBondContact OE2-CE 3.09Å; E180-K184 IonicContact OE2-NZ 3.62Å; E180-K184 PolarHBondContact OE2-NZ 2.89Å
185R91.1Very high94.2Very high129 Ų129120.7 Ų120.749%0.48754%0.535SS..Hα-helixtrans-74.7-23.5177.4-166.4-179-169.6-159.25.5114.8R125 W181 D182 R183R125-R185 PolarHBondContact O-NH1 2.96Å; R125-R185 VanDerWaalsContact O-NH1 3.15Å; R125-R185 PolarHBondContact O-NH2 3.21Å; W181-R185 VanDerWaalsContact O-CB 3.24Å; W181-R185 WeakPolarHBondContact O-CB 3.49Å; W181-R185 PolarHBondContact O-N 2.96Å; D182-R185 PolarHBondContact O-N 3.28Å; R183-R185 PolarHBondContact O-N 3.43Å
186K92.8Very high94.2Very high166 Ų166119.7 Ų119.772%0.72253%0.532SS*.Hα-helixtrans-83.6-31.8176-75.9162.5-173.5172.10112D182 R183 K188D182-K186 WeakPolarHBondContact O-CB 3.21Å; D182-K186 WeakPolarHBondContact O-CD 3.42Å; D182-K186 WeakPolarHBondContact O-CG 3.44Å; D182-K186 PolarHBondContact O-N 3.07Å; R183-K186 PolarHBondContact O-N 3.44Å; K186-K188 PolarHBondContact O-N 2.61Å
187I94.3Very high94.1Very high119 Ų119116 Ų11661%0.6153%0.526SS*.  trans-58.6130.4177.1-70.1165.5000110R183R183-I187 WeakPolarHBondContact O-CG1 3.39Å; R183-I187 PolarHBondContact O-N 3.42Å
188K93.1Very high94.1Very high191 Ų191118.8 Ų118.883%0.8355%0.545SS*.  trans-108.4114.9179.6-179.7-172.5172.7-168.50109.2K186 K190K186-K188 PolarHBondContact O-N 2.61Å; K188-K190 PolarHBondContact O-N 3.41Å
189V94.1Very high94Very high125 Ų125114.3 Ų114.376%0.75854%0.535SS*.  trans-52.9133.2174.6-176.30000110.3R191V189-R191 PolarHBondContact O-N 3.21Å
190K93.5Very high94.1Very high209 Ų209112.6 Ų112.691%0.90952%0.523SS*.  trans-64.2127.2174.6-66.2179.7-178.4174.90108.4K188K188-K190 PolarHBondContact O-N 3.41Å
191R92.2Very high94.1Very high121 Ų121108.9 Ų108.946%0.45751%0.508SS..  trans-113.1132.1-179.8-171-167.872.190.2-8.2109.4V189 R193 G197 V203V189-R191 PolarHBondContact O-N 3.21Å; R191-R193 PolarHBondContact O-N 3.24Å; R191-G197 PolarHBondContact NH2-O 3.22Å; R191-V203 VanDerWaalsContact NH1-CG1 3.3Å; R191-V203 VanDerWaalsContact NH1-CG2 3.27Å
192E93.7Very high94.3Very high126 Ų126104 Ų10459%0.58949%0.492SS*.  trans-54.1134.5168.8-162.7-156.6151.500110R223E192-R223 IonicContact OE1-NH1 2.61Å; E192-R223 PolarHBondContact OE1-NH1 2.89Å; E192-R223 IonicContact OE2-NH1 2.66Å
193R95.4Very high94.5Very high192 Ų192102.5 Ų102.573%0.72548%0.484SS*.  trans-92.7140.1176.767-175.8-175.9-139.6-1.6109.5R191R191-R193 PolarHBondContact O-N 3.24Å
194G95.1Very high94.5Very high12 Ų1297 Ų9712%0.12447%0.469CS..  trans-75.5-150.3163.600000110.9S196 G201G194-S196 PolarHBondContact O-N 2.78Å; G194-G201 CarbonylContact C-O 3.57Å; G194-G201 VanDerWaalsContact CA-O 3.3Å; G194-G201 WeakPolarHBondContact CA-O 3.35Å
195W96.1Very high94.6Very high62 Ų6294.4 Ų94.424%0.23546%0.46CS..SBendtrans-56.6-21.4-173.8-48.5-33.2000115.1G201 L225 R320 A321 T324 M344W195-G201 PolarHBondContact N-O 2.92Å; W195-L225 VanDerWaalsContact CH2-O 3.3Å; W195-L225 WeakPolarHBondContact CH2-O 3.14Å; W195-L225 HydrophobicContact CZ2-CD2 4.37Å; W195-L225 WeakPolarHBondContact CZ3-O 3.2Å; W195-R320 HydrophobicContact CD2-CB 4.44Å; W195-R320 HydrophobicContact CD2-CG 3.92Å; W195-R320 HydrophobicContact CE3-CG 4.14Å; W195-R320 HydrophobicContact CG-CB 4.46Å; W195-R320 HydrophobicContact CG-CG 4.3Å; W195-R320 HydrophobicContact CZ2-CG 4.46Å; W195-A321 HydrophobicContact CH2-CB 3.84Å; W195-A321 HydrophobicContact CZ2-CB 3.95Å; W195-T324 PolarHBondContact NE1-OG1 3.13Å; W195-M344 HydrophobicContact CH2-CE 3.77Å; W195-M344 HydrophobicContact CZ3-CE 3.82Å
196S95.8Very high94.8Very high59 Ų5989.3 Ų89.341%0.41345%0.448SS..SBendtrans-157.7155170.7-44.50000109.8G194 N198 T199G194-S196 PolarHBondContact O-N 2.78Å; S196-N198 PolarHBondContact O-N 3.37Å; S196-T199 WeakPolarHBondContact CA-OG1 3.3Å; S196-T199 VanDerWaalsContact CB-OG1 3.3Å; S196-T199 WeakPolarHBondContact CB-OG1 3.4Å; S196-T199 PolarHBondContact N-OG1 3.11Å; S196-T199 VanDerWaalsContact N-OG1 3.13Å; S196-T199 PolarHBondContact O-N 3.16Å; S196-T199 VanDerWaalsContact O-N 3.11Å; S196-T199 PolarHBondContact O-OG1 2.84Å
197G92.9Very high95Very high46 Ų4684.3 Ų84.347%0.47443%0.432SS..THydrogen-bonded Turntrans-56.7-39.8-166.900000116.6R191R191-G197 PolarHBondContact NH2-O 3.22Å
198N94.1Very high95.1Very high167 Ų16779.1 Ų79.189%0.89341%0.406SS*.THydrogen-bonded Turntrans-93.6-8.9-179.9-73.5-12.3000114S196S196-N198 PolarHBondContact O-N 3.37Å
199T93.9Very high95.3Very high59 Ų5972.7 Ų72.736%0.36238%0.381SS..  trans-86.3154.2176.6420000112.3S196S196-T199 WeakPolarHBondContact CA-OG1 3.3Å; S196-T199 VanDerWaalsContact CB-OG1 3.3Å; S196-T199 WeakPolarHBondContact CB-OG1 3.4Å; S196-T199 PolarHBondContact N-OG1 3.11Å; S196-T199 VanDerWaalsContact N-OG1 3.13Å; S196-T199 PolarHBondContact O-N 3.16Å; S196-T199 VanDerWaalsContact O-N 3.11Å; S196-T199 PolarHBondContact O-OG1 2.84Å
200W96.2Very high95.5Very high79 Ų7971 Ų7130%0.29937%0.373SS..  trans-93.5-19.3176.8-67.483.7000113.4G202 V203 I224 V227 F270W200-G202 PolarHBondContact O-N 3.08Å; W200-V203 VanDerWaalsContact O-CB 3.29Å; W200-V203 WeakPolarHBondContact O-CB 3.09Å; W200-V203 VanDerWaalsContact O-CG2 3.31Å; W200-V203 WeakPolarHBondContact O-CG2 2.9Å; W200-V203 PolarHBondContact O-N 2.92Å; W200-I224 HydrophobicContact CB-CD1 4.25Å; W200-I224 HydrophobicContact CB-CG2 4.02Å; W200-I224 HydrophobicContact CE3-CD1 3.97Å; W200-I224 WeakPolarHBondContact O-CB 3.48Å; W200-I224 WeakPolarHBondContact O-CG2 3.45Å; W200-V227 HydrophobicContact CB-CB 4.17Å; W200-V227 HydrophobicContact CB-CG2 3.53Å; W200-V227 HydrophobicContact CG-CB 4.41Å; W200-V227 HydrophobicContact CG-CG2 3.96Å; W200-F270 HydrophobicContact CD2-CZ 4.08Å; W200-F270 AromaticContact CE3-CE2 3.97Å; W200-F270 HydrophobicContact CE3-CE2 3.97Å; W200-F270 AromaticContact CE3-CZ 3.56Å; W200-F270 HydrophobicContact CE3-CZ 3.56Å; W200-F270 AromaticContact CZ3-CE2 3.86Å; W200-F270 HydrophobicContact CZ3-CE2 3.86Å; W200-F270 AromaticContact CZ3-CZ 3.95Å; W200-F270 HydrophobicContact CZ3-CZ 3.95Å
201G97.1Very high95.5Very high6 Ų661.9 Ų61.96%0.06234%0.338CS..THydrogen-bonded Turntrans-61.5131.9178.600000112.6G194 W195 V203 I224G194-G201 CarbonylContact C-O 3.57Å; G194-G201 VanDerWaalsContact CA-O 3.3Å; G194-G201 WeakPolarHBondContact CA-O 3.35Å; W195-G201 PolarHBondContact N-O 2.92Å; G201-V203 VanDerWaalsContact C-N 3.33Å; G201-I224 CarbonylContact C-O 3.58Å; G201-I224 WeakPolarHBondContact CA-O 3.3Å
202G96.5Very high95.7Very high8 Ų862.3 Ų62.38%0.08236%0.357CS..THydrogen-bonded Turntrans85.2-7.6-176.100000115.6W200 R223 I224W200-G202 PolarHBondContact O-N 3.08Å; G202-R223 WeakPolarHBondContact O-CD 3.48Å; G202-R223 PolarHBondContact O-NH1 3.48Å; G202-I224 PolarHBondContact N-O 3.13Å
203V97.3Very high95.7Very high15 Ų1562.4 Ų62.49%0.09136%0.361CS..  trans-77135.1176.7-179.90000109.7R191 W200 G201 I224R191-V203 VanDerWaalsContact NH1-CG1 3.3Å; R191-V203 VanDerWaalsContact NH1-CG2 3.27Å; W200-V203 VanDerWaalsContact O-CB 3.29Å; W200-V203 WeakPolarHBondContact O-CB 3.09Å; W200-V203 VanDerWaalsContact O-CG2 3.31Å; W200-V203 WeakPolarHBondContact O-CG2 2.9Å; W200-V203 PolarHBondContact O-N 2.92Å; G201-V203 VanDerWaalsContact C-N 3.33Å; V203-I224 HydrophobicContact CB-CD1 4.45Å; V203-I224 PolarHBondContact O-N 2.91Å; V203-I224 VanDerWaalsContact O-N 3.09Å
204S96.3Very high95.6Very high37 Ų3756.1 Ų56.126%0.25936%0.356SS..BIsolated β-bridgetrans-75.7147.6170-177.20000111.9G206 D221 T222S204-G206 PolarHBondContact OG-N 2.9Å; S204-D221 WeakPolarHBondContact CB-OD1 3.29Å; S204-D221 PolarHBondContact OG-OD1 3.21Å; S204-T222 CarbonylContact C-O 3.6Å; S204-T222 VanDerWaalsContact CA-O 3.28Å; S204-T222 WeakPolarHBondContact CA-O 3.34Å
205I94.9Very high95.5Very high54 Ų5459.4 Ų59.428%0.27737%0.368SS..  trans-99.8-13.3169.2-62.6169.5000111.2T222 I224 V247 F270 K274I205-T222 HydrophobicContact CB-CG2 3.91Å; I205-T222 HydrophobicContact CD1-CG2 3.93Å; I205-T222 HydrophobicContact CG1-CG2 4.31Å; I205-T222 PolarHBondContact N-O 2.67Å; I205-I224 HydrophobicContact CD1-CD1 3.9Å; I205-I224 HydrophobicContact CD1-CG1 3.55Å; I205-I224 HydrophobicContact CG1-CD1 3.86Å; I205-I224 HydrophobicContact CG1-CG1 3.87Å; I205-V247 HydrophobicContact CD1-CG2 4.18Å; I205-F270 HydrophobicContact CD1-CB 4.05Å; I205-F270 HydrophobicContact CD1-CD1 3.96Å; I205-F270 HydrophobicContact CD1-CG 4.04Å; I205-K274 HydrophobicContact CG2-CD 3.98Å
206G95.6Very high95.5Very high23 Ų2360.7 Ų60.724%0.23738%0.383CS..  trans84.6177.5-163.200000112.7S204 T222S204-G206 PolarHBondContact OG-N 2.9Å; G206-T222 WeakPolarHBondContact O-CB 3.26Å; G206-T222 PolarHBondContact O-OG1 3.45Å
207P97.2Very high95.5Very high61 Ų6159.3 Ų59.340%0.39637%0.369SS..SBendtrans-65.2158.7-17426.3-35000113.5Y217 F220 K274P207-Y217 WeakPolarHBondContact CB-O 3.38Å; P207-F220 VanDerWaalsContact CA-O 3.27Å; P207-F220 WeakPolarHBondContact CA-O 3.31Å; P207-K274 WeakPolarHBondContact O-CD 3.28Å; P207-K274 WeakPolarHBondContact O-CE 3.18Å; P207-K274 PolarHBondContact O-NZ 3.21Å
208P97.2Very high95.6Very high9 Ų964.7 Ų64.76%0.05838%0.382CS..PPolyproline II helixtrans-51.4153.2172.8-21.229.8000113.8Y217 F220 K274 I278P208-Y217 HydrophobicContact CB-CD2 3.72Å; P208-Y217 HydrophobicContact CB-CE2 4.48Å; P208-Y217 HydrophobicContact CB-CG 4.18Å; P208-Y217 HydrophobicContact CG-CD2 4.37Å; P208-Y217 HydrophobicContact CG-CG 4.33Å; P208-F220 HydrophobicContact CG-CB 4.14Å; P208-K274 HydrophobicContact CB-CG 4.24Å; P208-K274 HydrophobicContact CG-CG 4.45Å; P208-I278 HydrophobicContact CB-CG1 3.91Å; P208-I278 HydrophobicContact CG-CD1 3.62Å; P208-I278 HydrophobicContact CG-CG1 3.5Å
209D97Very high95.7Very high56 Ų5663.1 Ų63.130%0.29937%0.373SS..PPolyproline II helixtrans-69.5142.9170.9-49.4-28.8000108.3R271 K274 N275D209-R271 WeakPolarHBondContact OD2-CD 3.39Å; D209-R271 WeakPolarHBondContact OD2-CG 3.3Å; D209-K274 VanDerWaalsContact OD1-CE 3.31Å; D209-K274 WeakPolarHBondContact OD1-CE 3.48Å; D209-K274 IonicContact OD1-NZ 3.84Å; D209-K274 PolarHBondContact OD1-NZ 3.13Å; D209-N275 WeakPolarHBondContact CB-ND2 3.31Å; D209-N275 PolarHBondContact N-OD1 2.99Å; D209-N275 PolarHBondContact OD2-ND2 3.34Å; D209-N275 PolarHBondContact OD2-OD1 3.47Å
210P96.9Very high95.8Very high90 Ų9061.5 Ų61.558%0.58436%0.361SS*.PPolyproline II helixtrans-64.1152.2-179.326.4-34.8000112.5E215P210-E215 CarbonylContact C-O 3.51Å; P210-E215 VanDerWaalsContact CA-O 3.25Å; P210-E215 WeakPolarHBondContact CA-O 3.36Å; P210-E215 WeakPolarHBondContact CB-O 3.28Å
211G94.7Very high95.9Very high18 Ų1859.9 Ų59.919%0.18636%0.358CS..PPolyproline II helixtrans-78.8161.1177.400000113N213 G214 E215G211-N213 PolarHBondContact O-N 3.18Å; G211-G214 PolarHBondContact O-N 2.77Å; G211-E215 PolarHBondContact N-O 3.48Å
212P95.7Very high96Very high130 Ų13059.6 Ų59.684%0.84436%0.356SS*.THydrogen-bonded Turntrans-65.4-20.2179.329-35.7000113.2G214P212-G214 VanDerWaalsContact C-N 3.29Å; P212-G214 PolarHBondContact O-N 2.79Å
213N94.5Very high96Very high127 Ų12761.8 Ų61.868%0.67936%0.361SS*.THydrogen-bonded Turntrans-86.48.9-177-50.9-35.4000113.4G211 E215G211-N213 PolarHBondContact O-N 3.18Å; N213-E215 VanDerWaalsContact C-N 3.3Å; N213-E215 HydrophobicContact CB-CG 4.3Å; N213-E215 PolarHBondContact ND2-OE1 2.87Å
214G93.2Very high96.1Very high60 Ų6061.1 Ų61.162%0.61936%0.357SS*.SBendtrans831.4-170.300000114.5G211 P212 T216G211-G214 PolarHBondContact O-N 2.77Å; P212-G214 VanDerWaalsContact C-N 3.29Å; P212-G214 PolarHBondContact O-N 2.79Å; G214-T216 PolarHBondContact O-N 2.92Å; G214-T216 PolarHBondContact O-OG1 2.98Å
215E93.4Very high96.2Very high82 Ų8259.5 Ų59.538%0.38335%0.346SS..  trans-59.6123.5174.9-67.9167.4-120.400111.3P210 G211 N213 Y217P210-E215 CarbonylContact C-O 3.51Å; P210-E215 VanDerWaalsContact CA-O 3.25Å; P210-E215 WeakPolarHBondContact CA-O 3.36Å; P210-E215 WeakPolarHBondContact CB-O 3.28Å; G211-E215 PolarHBondContact N-O 3.48Å; N213-E215 VanDerWaalsContact C-N 3.3Å; N213-E215 HydrophobicContact CB-CG 4.3Å; N213-E215 PolarHBondContact ND2-OE1 2.87Å; E215-Y217 HydrophobicContact CB-CE1 4.1Å; E215-Y217 HydrophobicContact CB-CE2 4.45Å; E215-Y217 PolarHBondContact OE2-OH 3.18Å
216T95Very high96.3Very high88 Ų8858.5 Ų58.554%0.5434%0.34SS..  trans-125.4144.4-179.5-50.30000109.7G214 E218G214-T216 PolarHBondContact O-N 2.92Å; G214-T216 PolarHBondContact O-OG1 2.98Å; T216-E218 HydrophobicContact CG2-CG 3.61Å
217Y95.3Very high96.4Very high31 Ų3159.5 Ų59.512%0.12234%0.341CS..  trans-129.741.6-165.9-45.7-73000112.5P207 P208 E215 D219 F220 I278P207-Y217 WeakPolarHBondContact CB-O 3.38Å; P208-Y217 HydrophobicContact CB-CD2 3.72Å; P208-Y217 HydrophobicContact CB-CE2 4.48Å; P208-Y217 HydrophobicContact CB-CG 4.18Å; P208-Y217 HydrophobicContact CG-CD2 4.37Å; P208-Y217 HydrophobicContact CG-CG 4.33Å; E215-Y217 HydrophobicContact CB-CE1 4.1Å; E215-Y217 HydrophobicContact CB-CE2 4.45Å; E215-Y217 PolarHBondContact OE2-OH 3.18Å; Y217-D219 VanDerWaalsContact C-N 3.29Å; Y217-D219 PolarHBondContact O-N 2.79Å; Y217-F220 PolarHBondContact O-N 3.1Å; Y217-F220 VanDerWaalsContact O-N 3.15Å; Y217-I278 HydrophobicContact CD1-CG2 4.13Å; Y217-I278 HydrophobicContact CE1-CG2 3.74Å
218E95Very high96.5Very high159 Ų15963.2 Ų63.274%0.74335%0.347SS*.THydrogen-bonded Turntrans-62.7-33.8-171.7-48.8-154.2145.800113T216 F220T216-E218 HydrophobicContact CG2-CG 3.61Å; E218-F220 PolarHBondContact O-N 2.91Å
219D96.2Very high96.5Very high133 Ų13367 Ų6771%0.71137%0.367SS*.THydrogen-bonded Turntrans-64.5-15.2177.4-57.6-41.3000114.4Y217 N251Y217-D219 VanDerWaalsContact C-N 3.29Å; Y217-D219 PolarHBondContact O-N 2.79Å; D219-N251 HydrophobicContact CB-CB 4.29Å; D219-N251 WeakPolarHBondContact O-CA 3.41Å
220F97.6Very high96.5Very high25 Ų2566.2 Ų66.211%0.1136%0.364CS..  trans-93.4110.5-172.9-75.2-96.9000112.4P207 P208 Y217 E218 V249 G250 N251 I278 L281P207-F220 VanDerWaalsContact CA-O 3.27Å; P207-F220 WeakPolarHBondContact CA-O 3.31Å; P208-F220 HydrophobicContact CG-CB 4.14Å; Y217-F220 PolarHBondContact O-N 3.1Å; Y217-F220 VanDerWaalsContact O-N 3.15Å; E218-F220 PolarHBondContact O-N 2.91Å; F220-V249 HydrophobicContact CD1-CB 4.49Å; F220-G250 WeakPolarHBondContact CA-O 3.44Å; F220-N251 HydrophobicContact CD1-CB 4.18Å; F220-N251 HydrophobicContact CD2-CB 4.32Å; F220-N251 HydrophobicContact CE1-CB 4Å; F220-N251 HydrophobicContact CE2-CB 4.17Å; F220-N251 HydrophobicContact CG-CB 4.33Å; F220-N251 HydrophobicContact CZ-CB 4Å; F220-I278 HydrophobicContact CB-CD1 4.42Å; F220-I278 HydrophobicContact CD1-CD1 3.66Å; F220-I278 HydrophobicContact CD2-CD1 4.43Å; F220-I278 HydrophobicContact CE1-CD1 3.97Å; F220-I278 HydrophobicContact CG-CD1 3.92Å; F220-I278 HydrophobicContact CZ-CD1 4.46Å; F220-L281 HydrophobicContact CE1-CD1 3.9Å; F220-L281 HydrophobicContact CE1-CD2 3.78Å; F220-L281 HydrophobicContact CZ-CD1 3.89Å
221D97.6Very high96.6Very high46 Ų4666.8 Ų66.825%0.24636%0.358CS..EExtended strand (participates in β ladder)trans-76.7144.8165.2-173.212.8000110.4S204 R223 V249 G250 L328S204-D221 WeakPolarHBondContact CB-OD1 3.29Å; S204-D221 PolarHBondContact OG-OD1 3.21Å; D221-R223 IonicContact OD1-NE 2.79Å; D221-R223 IonicContact OD2-CZ 2.91Å; D221-R223 IonicContact OD2-NE 3.19Å; D221-R223 PolarHBondContact OD2-NE 2.88Å; D221-R223 IonicContact OD2-NH2 3.26Å; D221-R223 PolarHBondContact OD2-NH2 2.72Å; D221-V249 WeakPolarHBondContact O-CA 3.48Å; D221-G250 PolarHBondContact N-O 2.99Å; D221-G250 VanDerWaalsContact N-O 3.15Å; D221-G250 PolarHBondContact O-N 3.09Å; D221-L328 HydrophobicContact CB-CD2 3.74Å; D221-L328 WeakPolarHBondContact O-CD2 3.38Å
222T98.3Very high96.7Very high0 Ų071.3 Ų71.30%038%0.377CS..EExtended strand (participates in β ladder)trans-119.2104.5-177.5-61.30000109.6S204 I205 G206 V247 V249 K274S204-T222 CarbonylContact C-O 3.6Å; S204-T222 VanDerWaalsContact CA-O 3.28Å; S204-T222 WeakPolarHBondContact CA-O 3.34Å; I205-T222 HydrophobicContact CB-CG2 3.91Å; I205-T222 HydrophobicContact CD1-CG2 3.93Å; I205-T222 HydrophobicContact CG1-CG2 4.31Å; I205-T222 PolarHBondContact N-O 2.67Å; G206-T222 WeakPolarHBondContact O-CB 3.26Å; G206-T222 PolarHBondContact O-OG1 3.45Å; T222-V247 HydrophobicContact CG2-CG1 3.28Å; T222-V249 HydrophobicContact CG2-CG1 4Å; T222-K274 HydrophobicContact CG2-CB 4.1Å; T222-K274 HydrophobicContact CG2-CD 4.12Å; T222-K274 HydrophobicContact CG2-CG 3.74Å
223R98.2Very high96.8Very high54 Ų5471.5 Ų71.520%0.20437%0.369CS..EExtended strand (participates in β ladder)trans-106.7133.5-179-62.5-79.6171.1169-6.7112.3E192 G202 D221 A248 T324 L328E192-R223 IonicContact OE1-NH1 2.61Å; E192-R223 PolarHBondContact OE1-NH1 2.89Å; E192-R223 IonicContact OE2-NH1 2.66Å; G202-R223 WeakPolarHBondContact O-CD 3.48Å; G202-R223 PolarHBondContact O-NH1 3.48Å; D221-R223 IonicContact OD1-NE 2.79Å; D221-R223 IonicContact OD2-CZ 2.91Å; D221-R223 IonicContact OD2-NE 3.19Å; D221-R223 PolarHBondContact OD2-NE 2.88Å; D221-R223 IonicContact OD2-NH2 3.26Å; D221-R223 PolarHBondContact OD2-NH2 2.72Å; R223-A248 PolarHBondContact N-O 3.29Å; R223-A248 PolarHBondContact O-N 3.35Å; R223-T324 HydrophobicContact CB-CG2 3.49Å; R223-T324 VanDerWaalsContact CB-CG2 3.49Å; R223-T324 HydrophobicContact CG-CG2 3.93Å; R223-L328 HydrophobicContact CB-CD1 4.07Å; R223-L328 HydrophobicContact CG-CD1 4.22Å; R223-L328 HydrophobicContact CG-CD2 4.14Å; R223-L328 HydrophobicContact CG-CG 4.36Å
224I98.4Very high96.9Very high1 Ų167.6 Ų67.61%0.00535%0.349CS..EExtended strand (participates in β ladder)trans-75.1137.4175.9-63.9165.3000110.5W200 G201 G202 V203 I205 V227 V245 V247 F270W200-I224 HydrophobicContact CB-CD1 4.25Å; W200-I224 HydrophobicContact CB-CG2 4.02Å; W200-I224 HydrophobicContact CE3-CD1 3.97Å; W200-I224 WeakPolarHBondContact O-CB 3.48Å; W200-I224 WeakPolarHBondContact O-CG2 3.45Å; G201-I224 CarbonylContact C-O 3.58Å; G201-I224 WeakPolarHBondContact CA-O 3.3Å; G202-I224 PolarHBondContact N-O 3.13Å; V203-I224 HydrophobicContact CB-CD1 4.45Å; V203-I224 PolarHBondContact O-N 2.91Å; V203-I224 VanDerWaalsContact O-N 3.09Å; I205-I224 HydrophobicContact CD1-CD1 3.9Å; I205-I224 HydrophobicContact CD1-CG1 3.55Å; I205-I224 HydrophobicContact CG1-CD1 3.86Å; I205-I224 HydrophobicContact CG1-CG1 3.87Å; I224-V227 HydrophobicContact CG2-CG2 3.71Å; I224-V245 HydrophobicContact CG2-CG1 4.3Å; I224-V247 HydrophobicContact CG1-CG2 4.49Å; I224-F270 HydrophobicContact CD1-CD1 4.21Å; I224-F270 HydrophobicContact CD1-CE1 3.5Å; I224-F270 HydrophobicContact CD1-CE2 4.39Å; I224-F270 HydrophobicContact CD1-CZ 3.6Å; I224-F270 HydrophobicContact CG1-CE1 4.13Å
225L98.2Very high97.2Very high3 Ų370 Ų702%0.01636%0.363CS..EExtended strand (participates in β ladder)trans-110.2-42175.6-57.3178.4000113.1W195 L246 A248 A321 T324 I325 M344 T348W195-L225 VanDerWaalsContact CH2-O 3.3Å; W195-L225 WeakPolarHBondContact CH2-O 3.14Å; W195-L225 HydrophobicContact CZ2-CD2 4.37Å; W195-L225 WeakPolarHBondContact CZ3-O 3.2Å; L225-L246 HydrophobicContact CB-CD2 4.19Å; L225-L246 HydrophobicContact CB-CG 4.13Å; L225-L246 HydrophobicContact CD1-CD2 4.31Å; L225-L246 HydrophobicContact CD1-CG 4.23Å; L225-L246 PolarHBondContact N-O 2.85Å; L225-A248 HydrophobicContact CD1-CB 3.92Å; L225-A248 HydrophobicContact CG-CB 4.36Å; L225-A321 HydrophobicContact CD2-CB 4.44Å; L225-T324 HydrophobicContact CD2-CG2 4.09Å; L225-I325 HydrophobicContact CD1-CD1 3.81Å; L225-I325 HydrophobicContact CD1-CG1 4.08Å; L225-I325 HydrophobicContact CD2-CD1 4.4Å; L225-I325 HydrophobicContact CD2-CG1 4.13Å; L225-M344 HydrophobicContact CB-CG 4.18Å; L225-T348 HydrophobicContact CD1-CG2 4.03Å
226E97.9Very high97.3Very high33 Ų3375.8 Ų75.815%0.15439%0.387CS..EExtended strand (participates in β ladder)trans-140.7134.7177.5-169.3-164.8-175.100110.1R228 R244 V245 L246 M344E226-R228 HydrophobicContact CG-CB 4.36Å; E226-R228 VanDerWaalsContact OE1-CD 3.29Å; E226-R228 WeakPolarHBondContact OE1-CD 3.45Å; E226-R244 IonicContact OE1-NH2 2.77Å; E226-R244 IonicContact OE2-CZ 3.48Å; E226-R244 IonicContact OE2-NE 2.67Å; E226-R244 IonicContact OE2-NH2 3.21Å; E226-R244 PolarHBondContact OE2-NH2 3.12Å; E226-V245 CarbonylContact O-C 3.51Å; E226-V245 VanDerWaalsContact O-CA 3.29Å; E226-V245 WeakPolarHBondContact O-CA 3.32Å; E226-V245 WeakPolarHBondContact O-CG1 3.29Å; E226-L246 HydrophobicContact CB-CB 3.92Å; E226-L246 PolarHBondContact N-O 2.88Å; E226-L246 PolarHBondContact O-N 2.91Å; E226-M344 HydrophobicContact CB-CB 4.46Å; E226-M344 HydrophobicContact CB-CG 4.38Å
227V98.1Very high97.3Very high44 Ų4475.9 Ų75.927%0.26738%0.382SS..EExtended strand (participates in β ladder)trans-122.2113.51631760000107.8W200 I224 V243 V245 F270W200-V227 HydrophobicContact CB-CB 4.17Å; W200-V227 HydrophobicContact CB-CG2 3.53Å; W200-V227 HydrophobicContact CG-CB 4.41Å; W200-V227 HydrophobicContact CG-CG2 3.96Å; I224-V227 HydrophobicContact CG2-CG2 3.71Å; V227-V243 HydrophobicContact CG1-CG1 4.02Å; V227-V245 HydrophobicContact CG2-CG1 3.99Å; V227-V245 HydrophobicContact CG2-CG2 4.24Å; V227-F270 HydrophobicContact CG2-CE1 3.86Å; V227-F270 HydrophobicContact CG2-CZ 4.28Å
228R98Very high97.2Very high139 Ų13975.4 Ų75.453%0.52539%0.386SS..EExtended strand (participates in β ladder)trans-122.9122-176.8-173.3168.9177167.7-0.2110.8E226 V230 R244E226-R228 HydrophobicContact CG-CB 4.36Å; E226-R228 VanDerWaalsContact OE1-CD 3.29Å; E226-R228 WeakPolarHBondContact OE1-CD 3.45Å; R228-V230 HydrophobicContact CG-CG1 4.02Å; R228-V230 PolarHBondContact O-N 2.89Å; R228-R244 PolarHBondContact N-O 3.21Å; R228-R244 PolarHBondContact O-N 2.94Å
229N97.6Very high97.3Very high87 Ų8775.9 Ų75.947%0.46538%0.381SS..EExtended strand (participates in β ladder)trans-70119.8164.1-60.8-58.4000107.8F231 K241N229-F231 HydrophobicContact CB-CE2 4.47Å; N229-K241 WeakPolarHBondContact OD1-CE 3.42Å; N229-K241 PolarHBondContact OD1-NZ 3.05Å
230V97.9Very high97.3Very high40 Ų4073.9 Ų73.924%0.24237%0.366CS..EExtended strand (participates in β ladder)trans-113.6157.9173.6-63.30000109.2R228 S242 R244R228-V230 HydrophobicContact CG-CG1 4.02Å; R228-V230 PolarHBondContact O-N 2.89Å; V230-S242 WeakPolarHBondContact CG2-O 3.39Å; V230-S242 PolarHBondContact N-O 2.85Å; V230-S242 PolarHBondContact O-N 3.05Å; V230-R244 HydrophobicContact CG1-CB 4.29Å; V230-R244 HydrophobicContact CG2-CB 4.46Å
231F97.6Very high97.3Very high103 Ų10377.5 Ų77.545%0.45238%0.382SS..EExtended strand (participates in β ladder)trans-132.1144.9-178.8-59.1-88.1000109.6N229 R239 K240 K241N229-F231 HydrophobicContact CB-CE2 4.47Å; F231-R239 HydrophobicContact CB-CG 3.94Å; F231-R239 HydrophobicContact CD1-CG 3.72Å; F231-R239 VanDerWaalsContact CD2-NH2 3.32Å; F231-R239 VanDerWaalsContact CE2-NH2 3.28Å; F231-R239 HydrophobicContact CG-CG 4.06Å; F231-K240 CarbonylContact C-O 3.56Å; F231-K240 VanDerWaalsContact CA-O 3.26Å; F231-K240 WeakPolarHBondContact CA-O 3.43Å; F231-K241 HydrophobicContact CD1-CB 4.03Å; F231-K241 HydrophobicContact CD1-CG 4.18Å; F231-K241 HydrophobicContact CE1-CB 3.94Å; F231-K241 HydrophobicContact CE1-CG 3.8Å; F231-K241 HydrophobicContact CZ-CG 4.42Å
232N97.3Very high97.3Very high112 Ų11276.7 Ų76.760%0.59938%0.38SS*.EExtended strand (participates in β ladder)trans-119.7154.9167.4-168.528.3000108.9R239 K240N232-R239 CarbonylContact O-C 3.55Å; N232-K240 PolarHBondContact N-O 3Å; N232-K240 PolarHBondContact O-N 3.2Å
233M97.9Very high97.3Very high134 Ų13476.9 Ų76.966%0.6638%0.381SS*.EExtended strand (participates in β ladder)trans-87.3145.8165.2-161.159.37300109.2
234T97.3Very high97.3Very high45 Ų4576.6 Ų76.628%0.27638%0.38SS..EExtended strand (participates in β ladder)trans-152125.8-177.2-60.10000108.6K236 E237 G238T234-K236 VanDerWaalsContact C-N 3.33Å; T234-K236 PolarHBondContact O-N 3.13Å; T234-K236 VanDerWaalsContact O-N 3.1Å; T234-E237 PolarHBondContact O-N 2.9Å; T234-G238 PolarHBondContact N-O 3.49Å; T234-G238 WeakPolarHBondContact O-CA 3.29Å; T234-G238 PolarHBondContact O-N 2.93Å
235A97.8Very high97.3Very high110 Ų11076.5 Ų76.591%0.90938%0.379SS*.THydrogen-bonded Turntrans-48.2-46.5-166.900000114.8
236K96.4Very high97.3Very high205 Ų20576.4 Ų76.489%0.89138%0.379SS*.THydrogen-bonded Turntrans-81.8-36.1-177.5-61-174.5179.4-177.40114.2T234T234-K236 VanDerWaalsContact C-N 3.33Å; T234-K236 PolarHBondContact O-N 3.13Å; T234-K236 VanDerWaalsContact O-N 3.1Å
237E94Very high97.4Very high90 Ų9074.8 Ų74.842%0.42137%0.371SS..THydrogen-bonded Turntrans-89.8-28.5-175.6-72.6175.2-149.400113.2K114 T234 K240K114-E237 WeakPolarHBondContact CE-O 3.48Å; K114-E237 PolarHBondContact NZ-O 3.11Å; K114-E237 VanDerWaalsContact NZ-O 3.16Å; T234-E237 PolarHBondContact O-N 2.9Å; E237-K240 VanDerWaalsContact CD-NZ 3.31Å; E237-K240 IonicContact OE1-NZ 2.75Å; E237-K240 PolarHBondContact OE1-NZ 3.23Å; E237-K240 WeakPolarHBondContact OE2-CD 3.36Å; E237-K240 WeakPolarHBondContact OE2-CE 3.37Å; E237-K240 WeakPolarHBondContact OE2-CG 3.47Å; E237-K240 IonicContact OE2-NZ 3.23Å; E237-K240 PolarHBondContact OE2-NZ 3.34Å
238G95.2Very high97.4Very high21 Ų2172.7 Ų72.722%0.21636%0.359CS..EExtended strand (participates in β ladder)trans76.5-127.1-159.900000110.9T234 K240T234-G238 PolarHBondContact N-O 3.49Å; T234-G238 WeakPolarHBondContact O-CA 3.29Å; T234-G238 PolarHBondContact O-N 2.93Å; G238-K240 PolarHBondContact O-N 2.77Å
239R96.1Very high97.4Very high169 Ų16966.1 Ų66.164%0.63833%0.334SS*.EExtended strand (participates in β ladder)trans-76.282.9-174.4-173.5178.9173.1159.4-0112.5F231 N232F231-R239 HydrophobicContact CB-CG 3.94Å; F231-R239 HydrophobicContact CD1-CG 3.72Å; F231-R239 VanDerWaalsContact CD2-NH2 3.32Å; F231-R239 VanDerWaalsContact CE2-NH2 3.28Å; F231-R239 HydrophobicContact CG-CG 4.06Å; N232-R239 CarbonylContact O-C 3.55Å
240K96.4Very high97.4Very high90 Ų9062 Ų6239%0.39131%0.312SS..EExtended strand (participates in β ladder)trans-67.3129.3175.9-172.2164.6-161.9135.30111.2F231 N232 E237 G238F231-K240 CarbonylContact C-O 3.56Å; F231-K240 VanDerWaalsContact CA-O 3.26Å; F231-K240 WeakPolarHBondContact CA-O 3.43Å; N232-K240 PolarHBondContact N-O 3Å; N232-K240 PolarHBondContact O-N 3.2Å; E237-K240 VanDerWaalsContact CD-NZ 3.31Å; E237-K240 IonicContact OE1-NZ 2.75Å; E237-K240 PolarHBondContact OE1-NZ 3.23Å; E237-K240 WeakPolarHBondContact OE2-CD 3.36Å; E237-K240 WeakPolarHBondContact OE2-CE 3.37Å; E237-K240 WeakPolarHBondContact OE2-CG 3.47Å; E237-K240 IonicContact OE2-NZ 3.23Å; E237-K240 PolarHBondContact OE2-NZ 3.34Å; G238-K240 PolarHBondContact O-N 2.77Å
241K97.1Very high97.4Very high102 Ų10262.1 Ų62.144%0.44331%0.311SS..EExtended strand (participates in β ladder)trans-91.8139.5177.3-171.6-163.5172.1-163.60111.1N229 F231N229-K241 WeakPolarHBondContact OD1-CE 3.42Å; N229-K241 PolarHBondContact OD1-NZ 3.05Å; F231-K241 HydrophobicContact CD1-CB 4.03Å; F231-K241 HydrophobicContact CD1-CG 4.18Å; F231-K241 HydrophobicContact CE1-CB 3.94Å; F231-K241 HydrophobicContact CE1-CG 3.8Å; F231-K241 HydrophobicContact CZ-CG 4.42Å
242S97.5Very high97.4Very high28 Ų2858.3 Ų58.320%0.19630%0.301CS..EExtended strand (participates in β ladder)trans-133.4156.4163.1170.60000110.4V230 A263V230-S242 WeakPolarHBondContact CG2-O 3.39Å; V230-S242 PolarHBondContact N-O 2.85Å; V230-S242 PolarHBondContact O-N 3.05Å; S242-A263 WeakPolarHBondContact CA-O 3.49Å; S242-A263 WeakPolarHBondContact CB-O 3.5Å; S242-A263 PolarHBondContact OG-O 2.87Å
243V98.4Very high97.3Very high4 Ų458 Ų582%0.02430%0.3CS..EExtended strand (participates in β ladder)trans-103.4125.3171.3-175.70000108.6V227 V245 K262 A263 R266 A269V227-V243 HydrophobicContact CG1-CG1 4.02Å; V243-V245 HydrophobicContact CG1-CG2 3.98Å; V243-K262 WeakPolarHBondContact O-CA 3.3Å; V243-A263 PolarHBondContact N-O 3.01Å; V243-A263 PolarHBondContact O-N 2.75Å; V243-R266 HydrophobicContact CG1-CB 4.36Å; V243-R266 HydrophobicContact CG1-CG 4.31Å; V243-R266 HydrophobicContact CG2-CB 4.4Å; V243-A269 HydrophobicContact CB-CB 4.37Å; V243-A269 HydrophobicContact CG1-CB 4.39Å
244R98.4Very high97.3Very high48 Ų4851.6 Ų51.618%0.18127%0.268CS..EExtended strand (participates in β ladder)trans-98.7133164.6-178.4-178.8114.5169.51.3108.6E226 R228 V230 I260 G261 K262E226-R244 IonicContact OE1-NH2 2.77Å; E226-R244 IonicContact OE2-CZ 3.48Å; E226-R244 IonicContact OE2-NE 2.67Å; E226-R244 IonicContact OE2-NH2 3.21Å; E226-R244 PolarHBondContact OE2-NH2 3.12Å; R228-R244 PolarHBondContact N-O 3.21Å; R228-R244 PolarHBondContact O-N 2.94Å; V230-R244 HydrophobicContact CG1-CB 4.29Å; V230-R244 HydrophobicContact CG2-CB 4.46Å; R244-I260 HydrophobicContact CG-CG2 3.62Å; R244-G261 WeakPolarHBondContact CA-O 3.37Å; R244-K262 HydrophobicContact CB-CG 4.21Å; R244-K262 HydrophobicContact CG-CG 4.2Å
245V98.5Very high97.3Very high0 Ų050.5 Ų50.50%026%0.263CS..EExtended strand (participates in β ladder)trans-122.7138.5170.6-1690000109.4I224 E226 V227 V243 V247 I260 G261 A269 F270 A273I224-V245 HydrophobicContact CG2-CG1 4.3Å; E226-V245 CarbonylContact O-C 3.51Å; E226-V245 VanDerWaalsContact O-CA 3.29Å; E226-V245 WeakPolarHBondContact O-CA 3.32Å; E226-V245 WeakPolarHBondContact O-CG1 3.29Å; V227-V245 HydrophobicContact CG2-CG1 3.99Å; V227-V245 HydrophobicContact CG2-CG2 4.24Å; V243-V245 HydrophobicContact CG1-CG2 3.98Å; V245-V247 HydrophobicContact CG1-CG2 3.56Å; V245-I260 CarbonylContact O-C 3.39Å; V245-I260 VanDerWaalsContact O-CA 3.28Å; V245-I260 WeakPolarHBondContact O-CA 3.24Å; V245-G261 PolarHBondContact N-O 2.57Å; V245-G261 PolarHBondContact O-N 2.86Å; V245-A269 HydrophobicContact CG2-CB 3.78Å; V245-F270 HydrophobicContact CB-CD1 4.33Å; V245-F270 HydrophobicContact CG1-CD1 3.86Å; V245-F270 HydrophobicContact CG1-CE1 3.85Å; V245-F270 HydrophobicContact CG2-CD1 3.82Å; V245-F270 HydrophobicContact CG2-CE1 3.86Å; V245-A273 HydrophobicContact CB-CB 4.5Å
246L98.6Very high97.3Very high0 Ų045.2 Ų45.20%022%0.22CC..EExtended strand (participates in β ladder)trans-107.2126.1162.9177.864.6000108.1L225 E226 F258 I260 M344 L345L225-L246 HydrophobicContact CB-CD2 4.19Å; L225-L246 HydrophobicContact CB-CG 4.13Å; L225-L246 HydrophobicContact CD1-CD2 4.31Å; L225-L246 HydrophobicContact CD1-CG 4.23Å; L225-L246 PolarHBondContact N-O 2.85Å; E226-L246 HydrophobicContact CB-CB 3.92Å; E226-L246 PolarHBondContact N-O 2.88Å; E226-L246 PolarHBondContact O-N 2.91Å; L246-F258 HydrophobicContact CD1-CD2 4.06Å; L246-I260 HydrophobicContact CD1-CG1 4.1Å; L246-M344 HydrophobicContact CD2-CB 4.33Å; L246-M344 HydrophobicContact CD2-CG 3.9Å; L246-L345 HydrophobicContact CD1-CD1 4.11Å; L246-L345 HydrophobicContact CD2-CB 4.47Å; L246-L345 HydrophobicContact CD2-CD1 4.47Å
247V98.5Very high97.4Very high0 Ų035.5 Ų35.50%018%0.178CC..EExtended strand (participates in β ladder)trans-127.6145.9-177.9176.10000108.9I205 T222 I224 V245 F258 A259 A273I205-V247 HydrophobicContact CD1-CG2 4.18Å; T222-V247 HydrophobicContact CG2-CG1 3.28Å; I224-V247 HydrophobicContact CG1-CG2 4.49Å; V245-V247 HydrophobicContact CG1-CG2 3.56Å; V247-F258 VanDerWaalsContact O-CA 3.25Å; V247-F258 WeakPolarHBondContact O-CA 3.25Å; V247-F258 WeakPolarHBondContact O-CB 3.28Å; V247-A259 PolarHBondContact N-O 2.7Å; V247-A259 VanDerWaalsContact N-O 3.13Å; V247-A259 PolarHBondContact O-N 2.8Å; V247-A273 HydrophobicContact CB-CB 3.92Å; V247-A273 HydrophobicContact CG2-CB 3.46Å; V247-A273 VanDerWaalsContact CG2-CB 3.46Å
248A98.5Very high97.6Very high0 Ų032.6 Ų32.60%016%0.164CC..EExtended strand (participates in β ladder)trans-116149.9163.900000110.4R223 L225 G257 F258 I325 L328R223-A248 PolarHBondContact N-O 3.29Å; R223-A248 PolarHBondContact O-N 3.35Å; L225-A248 HydrophobicContact CD1-CB 3.92Å; L225-A248 HydrophobicContact CG-CB 4.36Å; A248-G257 CarbonylContact C-O 3.51Å; A248-G257 VanDerWaalsContact CA-O 3.24Å; A248-G257 WeakPolarHBondContact CA-O 3.31Å; A248-F258 HydrophobicContact CB-CB 4.38Å; A248-I325 HydrophobicContact CB-CG1 4.22Å; A248-L328 HydrophobicContact CB-CD1 3.81Å
249V98.4Very high97.8Very high0 Ų031.9 Ų31.90%016%0.156CC..EExtended strand (participates in β ladder)trans-126.8153.1174.9-61.90000109.1F220 D221 T222 A256 G257 A277 I278 L281F220-V249 HydrophobicContact CD1-CB 4.49Å; D221-V249 WeakPolarHBondContact O-CA 3.48Å; T222-V249 HydrophobicContact CG2-CG1 4Å; V249-A256 CarbonylContact O-C 3.59Å; V249-A256 WeakPolarHBondContact O-CA 3.33Å; V249-A256 WeakPolarHBondContact O-CB 3.13Å; V249-G257 PolarHBondContact N-O 3.22Å; V249-G257 PolarHBondContact O-N 3.33Å; V249-A277 HydrophobicContact CB-CB 4.34Å; V249-A277 HydrophobicContact CG1-CB 3.81Å; V249-A277 HydrophobicContact CG2-CB 3.6Å; V249-I278 HydrophobicContact CB-CD1 4.24Å; V249-I278 HydrophobicContact CG2-CD1 3.78Å; V249-I278 HydrophobicContact CG2-CG1 4.43Å; V249-L281 HydrophobicContact CG2-CD2 3.94Å
250G98.2Very high97.9Very high2 Ų226.1 Ų26.12%0.02114%0.137CC..EExtended strand (participates in β ladder)trans-179.3160.9169.800000113F220 D221 A255 L328F220-G250 WeakPolarHBondContact CA-O 3.44Å; D221-G250 PolarHBondContact N-O 2.99Å; D221-G250 VanDerWaalsContact N-O 3.15Å; D221-G250 PolarHBondContact O-N 3.09Å; G250-A255 WeakPolarHBondContact CA-O 3.35Å; G250-L328 CarbonylContact C-O 3.6Å; G250-L328 VanDerWaalsContact C-O 3.29Å; G250-L328 WeakPolarHBondContact CA-O 3.38Å
251N97.3Very high98Very high41 Ų4121.9 Ų21.922%0.21912%0.119CC..  trans-104.79.2-171.471.6-9.3000114.6D219 F220 N253 A255 L328D219-N251 HydrophobicContact CB-CB 4.29Å; D219-N251 WeakPolarHBondContact O-CA 3.41Å; F220-N251 HydrophobicContact CD1-CB 4.18Å; F220-N251 HydrophobicContact CD2-CB 4.32Å; F220-N251 HydrophobicContact CE1-CB 4Å; F220-N251 HydrophobicContact CE2-CB 4.17Å; F220-N251 HydrophobicContact CG-CB 4.33Å; F220-N251 HydrophobicContact CZ-CB 4Å; N251-N253 PolarHBondContact O-N 2.9Å; N251-N253 VanDerWaalsContact O-N 3.08Å; N251-N253 WeakPolarHBondContact OD1-CA 3.18Å; N251-N253 PolarHBondContact OD1-N 3.37Å; N251-A255 PolarHBondContact N-O 2.98Å; N251-A255 VanDerWaalsContact N-O 3.12Å; N251-A255 PolarHBondContact OD1-N 2.88Å; N251-A255 PolarHBondContact OD1-O 3.47Å; N251-L328 PolarHBondContact N-O 3.48Å
252G96.8Very high98Very high23 Ų2323.3 Ų23.324%0.23713%0.125CC..SBendtrans69.6-0.1-176.100000115.3R286 L328 I329 G330G252-R286 PolarHBondContact O-NH1 3.33Å; G252-L328 WeakPolarHBondContact CA-O 3.33Å; G252-L328 PolarHBondContact N-O 2.66Å; G252-I329 CarbonylContact C-O 3.59Å; G252-I329 VanDerWaalsContact C-O 3.23Å; G252-G330 WeakPolarHBondContact O-CA 3.43Å
253N97Very high98.1Very high106 Ų10622.7 Ų22.757%0.56712%0.122SC*.SBendtrans-117.728.6-172.5-71.2-33000113.1N251 I329N251-N253 PolarHBondContact O-N 2.9Å; N251-N253 VanDerWaalsContact O-N 3.08Å; N251-N253 WeakPolarHBondContact OD1-CA 3.18Å; N251-N253 PolarHBondContact OD1-N 3.37Å; N253-I329 PolarHBondContact N-O 3.33Å
254G96.6Very high98Very high0 Ų026.3 Ų26.30%015%0.152CC..SBendtrans93.9-24.4-179.900000114.4I284 I329G254-I284 WeakPolarHBondContact CA-O 3.45Å; G254-I284 PolarHBondContact O-N 2.99Å; G254-I329 WeakPolarHBondContact CA-O 3.33Å; G254-I329 PolarHBondContact N-O 2.9Å
255A97.9Very high97.9Very high21 Ų2128.7 Ų28.717%0.17417%0.169CC..EExtended strand (participates in β ladder)trans-86.2115179.600000111.4G250 N251G250-A255 WeakPolarHBondContact CA-O 3.35Å; N251-A255 PolarHBondContact N-O 2.98Å; N251-A255 VanDerWaalsContact N-O 3.12Å; N251-A255 PolarHBondContact OD1-N 2.88Å; N251-A255 PolarHBondContact OD1-O 3.47Å
256A98.3Very high97.8Very high0 Ų033.4 Ų33.40%019%0.186CC..EExtended strand (participates in β ladder)trans-148151.5177.800000112.4V249 H282 I329 F352V249-A256 CarbonylContact O-C 3.59Å; V249-A256 WeakPolarHBondContact O-CA 3.33Å; V249-A256 WeakPolarHBondContact O-CB 3.13Å; A256-H282 PolarHBondContact N-O 3.02Å; A256-H282 PolarHBondContact O-N 2.65Å; A256-I329 HydrophobicContact CB-CG1 3.57Å; A256-F352 HydrophobicContact CB-CE1 3.92Å; A256-F352 HydrophobicContact CB-CZ 4.02Å; A256-F352 VanDerWaalsContact O-CE1 3.32Å; A256-F352 WeakPolarHBondContact O-CE1 3.43Å
257G98.3Very high97.8Very high0 Ų035 Ų350%020%0.203CC..EExtended strand (participates in β ladder)trans-147.1171.2-176.300000112.5A248 V249 Y280A248-G257 CarbonylContact C-O 3.51Å; A248-G257 VanDerWaalsContact CA-O 3.24Å; A248-G257 WeakPolarHBondContact CA-O 3.31Å; V249-G257 PolarHBondContact N-O 3.22Å; V249-G257 PolarHBondContact O-N 3.33Å; G257-Y280 VanDerWaalsContact CA-O 3.28Å; G257-Y280 WeakPolarHBondContact CA-O 3.45Å
258F98.4Very high97.8Very high30 Ų3037.9 Ų37.913%0.13222%0.218CC..EExtended strand (participates in β ladder)trans-148.3144.8177.770.7-80.7000112.3L246 V247 A248 T348 R349 F352L246-F258 HydrophobicContact CD1-CD2 4.06Å; V247-F258 VanDerWaalsContact O-CA 3.25Å; V247-F258 WeakPolarHBondContact O-CA 3.25Å; V247-F258 WeakPolarHBondContact O-CB 3.28Å; A248-F258 HydrophobicContact CB-CB 4.38Å; F258-T348 HydrophobicContact CB-CG2 3.95Å; F258-T348 HydrophobicContact CD1-CG2 4.03Å; F258-T348 HydrophobicContact CD2-CG2 3.82Å; F258-T348 HydrophobicContact CE2-CG2 4.39Å; F258-T348 HydrophobicContact CG-CG2 3.63Å; F258-R349 HydrophobicContact CE2-CG 3.7Å; F258-R349 HydrophobicContact CZ-CB 4.5Å; F258-R349 HydrophobicContact CZ-CG 3.63Å; F258-F352 HydrophobicContact CB-CE2 4.22Å; F258-F352 HydrophobicContact CD1-CB 4.47Å; F258-F352 AromaticContact CD1-CD2 3.32Å; F258-F352 HydrophobicContact CD1-CD2 3.32Å; F258-F352 AromaticContact CD1-CE2 3.53Å; F258-F352 HydrophobicContact CD1-CE2 3.53Å; F258-F352 AromaticContact CD1-CG 3.87Å; F258-F352 HydrophobicContact CD1-CG 3.87Å; F258-F352 HydrophobicContact CD1-CZ 4.24Å; F258-F352 HydrophobicContact CE1-CB 3.99Å; F258-F352 AromaticContact CE1-CD2 3.67Å; F258-F352 HydrophobicContact CE1-CD2 3.67Å; F258-F352 HydrophobicContact CE1-CE2 4.34Å; F258-F352 AromaticContact CE1-CG 3.9Å; F258-F352 HydrophobicContact CE1-CG 3.9Å; F258-F352 HydrophobicContact CG-CD2 4.25Å; F258-F352 HydrophobicContact CG-CE2 4.2Å
259A98.5Very high97.8Very high6 Ų637.9 Ų37.95%0.0522%0.218CC..EExtended strand (participates in β ladder)trans-145.1164.9176.900000113.4V247 R276 A277V247-A259 PolarHBondContact N-O 2.7Å; V247-A259 VanDerWaalsContact N-O 3.13Å; V247-A259 PolarHBondContact O-N 2.8Å; A259-R276 HydrophobicContact CB-CB 4.04Å; A259-R276 HydrophobicContact CB-CG 4.01Å; A259-A277 HydrophobicContact CB-CB 3.85Å
260I98.4Very high97.7Very high47 Ų4739.1 Ų39.124%0.24122%0.224CC..EExtended strand (participates in β ladder)trans-109.2117.5176.3-55.2177.1000109.5R244 V245 L246 K262 L345R244-I260 HydrophobicContact CG-CG2 3.62Å; V245-I260 CarbonylContact O-C 3.39Å; V245-I260 VanDerWaalsContact O-CA 3.28Å; V245-I260 WeakPolarHBondContact O-CA 3.24Å; L246-I260 HydrophobicContact CD1-CG1 4.1Å; I260-K262 HydrophobicContact CG2-CG 4.41Å; I260-L345 HydrophobicContact CD1-CD1 3.75Å; I260-L345 HydrophobicContact CD1-CD2 3.74Å; I260-L345 HydrophobicContact CD1-CG 4.42Å; I260-L345 HydrophobicContact CG1-CD1 4.28Å
261G98.1Very high97.7Very high1 Ų144.5 Ų44.51%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-91.7140.9166.500000111.4R244 V245R244-G261 WeakPolarHBondContact CA-O 3.37Å; V245-G261 PolarHBondContact N-O 2.57Å; V245-G261 PolarHBondContact O-N 2.86Å
262K98.4Very high97.8Very high132 Ų13248.1 Ų48.157%0.57426%0.257SS*.EExtended strand (participates in β ladder)trans-134.7130.8169.2-73.617866.2-170.30110.3V243 R244 I260V243-K262 WeakPolarHBondContact O-CA 3.3Å; R244-K262 HydrophobicContact CB-CG 4.21Å; R244-K262 HydrophobicContact CG-CG 4.2Å; I260-K262 HydrophobicContact CG2-CG 4.41Å
263A98.2Very high97.8Very high16 Ų1647 Ų4713%0.13225%0.246CC..EExtended strand (participates in β ladder)trans-153.3-176.4173.200000111.1S242 V243 D265 D268 A269S242-A263 WeakPolarHBondContact CA-O 3.49Å; S242-A263 WeakPolarHBondContact CB-O 3.5Å; S242-A263 PolarHBondContact OG-O 2.87Å; V243-A263 PolarHBondContact N-O 3.01Å; V243-A263 PolarHBondContact O-N 2.75Å; A263-D265 WeakPolarHBondContact CB-O 3.31Å; A263-D268 HydrophobicContact CB-CB 3.63Å; A263-A269 HydrophobicContact CB-CB 4.03Å
264A96.9Very high97.9Very high80 Ų8042.8 Ų42.866%0.66122%0.223SC*.SBendtrans-79.7-51171.800000111.1
265D96.6Very high97.9Very high98 Ų9845 Ų4552%0.52423%0.234SC..SBendtrans-84.3162.8168.8-173.149.6000112.5A263 G267A263-D265 WeakPolarHBondContact CB-O 3.31Å; D265-G267 PolarHBondContact OD2-N 2.69Å
266R97.1Very high97.9Very high98 Ų9850.1 Ų50.137%0.3725%0.249SC..Hα-helixtrans-78.1-33.9176.7-175.2-178.263.4-145.1-8.6113.2V243 A269 F270V243-R266 HydrophobicContact CG1-CB 4.36Å; V243-R266 HydrophobicContact CG1-CG 4.31Å; V243-R266 HydrophobicContact CG2-CB 4.4Å; R266-A269 PolarHBondContact O-N 3Å; R266-F270 HydrophobicContact CG-CD1 4.46Å; R266-F270 HydrophobicContact CG-CD2 4.15Å; R266-F270 HydrophobicContact CG-CE1 3.96Å; R266-F270 HydrophobicContact CG-CE2 3.62Å; R266-F270 HydrophobicContact CG-CZ 3.51Å; R266-F270 WeakPolarHBondContact O-CG 3.46Å; R266-F270 PolarHBondContact O-N 2.67Å
267G97Very high97.9Very high34 Ų3450.1 Ų50.135%0.35125%0.249SC..Hα-helixtrans-63-49.7179.700000112D265 A269 F270 R271D265-G267 PolarHBondContact OD2-N 2.69Å; G267-A269 VanDerWaalsContact C-N 3.26Å; G267-A269 PolarHBondContact O-N 3.22Å; G267-F270 WeakPolarHBondContact O-CB 3.15Å; G267-F270 PolarHBondContact O-N 3.04Å; G267-F270 VanDerWaalsContact O-N 3.11Å; G267-R271 PolarHBondContact O-N 2.91Å
268D98.2Very high97.8Very high61 Ų6151 Ų5133%0.32625%0.253SS..Hα-helixtrans-60.7-35.7172.2-69.1-46.3000112.6A263 F270 R271 K272A263-D268 HydrophobicContact CB-CB 3.63Å; D268-F270 VanDerWaalsContact C-N 3.33Å; D268-R271 PolarHBondContact O-N 2.94Å; D268-R271 IonicContact OD1-CZ 3.66Å; D268-R271 IonicContact OD1-NH1 3.76Å; D268-R271 PolarHBondContact OD1-NH1 3.05Å; D268-R271 IonicContact OD1-NH2 2.86Å; D268-R271 PolarHBondContact OD1-NH2 3.3Å; D268-K272 VanDerWaalsContact O-CB 3.28Å; D268-K272 WeakPolarHBondContact O-CB 3.39Å; D268-K272 VanDerWaalsContact O-CG 3.25Å; D268-K272 WeakPolarHBondContact O-CG 3.38Å; D268-K272 PolarHBondContact O-N 2.67Å
269A98.4Very high97.7Very high0 Ų055.9 Ų55.90%028%0.276CS..Hα-helixtrans-68.8-31.2176.600000112.3V243 V245 A263 R266 G267 A273V243-A269 HydrophobicContact CB-CB 4.37Å; V243-A269 HydrophobicContact CG1-CB 4.39Å; V245-A269 HydrophobicContact CG2-CB 3.78Å; A263-A269 HydrophobicContact CB-CB 4.03Å; R266-A269 PolarHBondContact O-N 3Å; G267-A269 VanDerWaalsContact C-N 3.26Å; G267-A269 PolarHBondContact O-N 3.22Å; A269-A273 VanDerWaalsContact O-CB 3.24Å; A269-A273 WeakPolarHBondContact O-CB 3.27Å; A269-A273 PolarHBondContact O-N 3.26Å; A269-A273 VanDerWaalsContact O-N 3.13Å
270F98.2Very high97.7Very high25 Ų2561.3 Ų61.311%0.1130%0.297CS..Hα-helixtrans-68.3-52.6170.3-68.2-29.8000111.3W200 I205 I224 V227 V245 R266 G267 D268 K272 A273 K274W200-F270 HydrophobicContact CD2-CZ 4.08Å; W200-F270 AromaticContact CE3-CE2 3.97Å; W200-F270 HydrophobicContact CE3-CE2 3.97Å; W200-F270 AromaticContact CE3-CZ 3.56Å; W200-F270 HydrophobicContact CE3-CZ 3.56Å; W200-F270 AromaticContact CZ3-CE2 3.86Å; W200-F270 HydrophobicContact CZ3-CE2 3.86Å; W200-F270 AromaticContact CZ3-CZ 3.95Å; W200-F270 HydrophobicContact CZ3-CZ 3.95Å; I205-F270 HydrophobicContact CD1-CB 4.05Å; I205-F270 HydrophobicContact CD1-CD1 3.96Å; I205-F270 HydrophobicContact CD1-CG 4.04Å; I224-F270 HydrophobicContact CD1-CD1 4.21Å; I224-F270 HydrophobicContact CD1-CE1 3.5Å; I224-F270 HydrophobicContact CD1-CE2 4.39Å; I224-F270 HydrophobicContact CD1-CZ 3.6Å; I224-F270 HydrophobicContact CG1-CE1 4.13Å; V227-F270 HydrophobicContact CG2-CE1 3.86Å; V227-F270 HydrophobicContact CG2-CZ 4.28Å; V245-F270 HydrophobicContact CB-CD1 4.33Å; V245-F270 HydrophobicContact CG1-CD1 3.86Å; V245-F270 HydrophobicContact CG1-CE1 3.85Å; V245-F270 HydrophobicContact CG2-CD1 3.82Å; V245-F270 HydrophobicContact CG2-CE1 3.86Å; R266-F270 HydrophobicContact CG-CD1 4.46Å; R266-F270 HydrophobicContact CG-CD2 4.15Å; R266-F270 HydrophobicContact CG-CE1 3.96Å; R266-F270 HydrophobicContact CG-CE2 3.62Å; R266-F270 HydrophobicContact CG-CZ 3.51Å; R266-F270 WeakPolarHBondContact O-CG 3.46Å; R266-F270 PolarHBondContact O-N 2.67Å; G267-F270 WeakPolarHBondContact O-CB 3.15Å; G267-F270 PolarHBondContact O-N 3.04Å; G267-F270 VanDerWaalsContact O-N 3.11Å; D268-F270 VanDerWaalsContact C-N 3.33Å; F270-K272 PolarHBondContact O-N 3.04Å; F270-A273 PolarHBondContact O-N 2.78Å; F270-K274 WeakPolarHBondContact O-CB 3.41Å; F270-K274 PolarHBondContact O-N 3.2Å
271R98Very high97.6Very high116 Ų11662.1 Ų62.144%0.43830%0.301SS..Hα-helixtrans-54.4-49.5177.8-169.1169.969.4-99.8-6.9111.8D209 G267 D268 A273 K274 N275D209-R271 WeakPolarHBondContact OD2-CD 3.39Å; D209-R271 WeakPolarHBondContact OD2-CG 3.3Å; G267-R271 PolarHBondContact O-N 2.91Å; D268-R271 PolarHBondContact O-N 2.94Å; D268-R271 IonicContact OD1-CZ 3.66Å; D268-R271 IonicContact OD1-NH1 3.76Å; D268-R271 PolarHBondContact OD1-NH1 3.05Å; D268-R271 IonicContact OD1-NH2 2.86Å; D268-R271 PolarHBondContact OD1-NH2 3.3Å; R271-A273 VanDerWaalsContact C-N 3.31Å; R271-A273 PolarHBondContact O-N 2.9Å; R271-K274 PolarHBondContact O-N 3.24Å; R271-N275 PolarHBondContact O-N 3.06Å; R271-N275 PolarHBondContact O-OD1 3.08Å
272K98.2Very high97.6Very high117 Ų11765.5 Ų65.551%0.50932%0.317SS..Hα-helixtrans-67.1-24178-69.5-178.5-178-167.30114.5D268 F270 R276D268-K272 VanDerWaalsContact O-CB 3.28Å; D268-K272 WeakPolarHBondContact O-CB 3.39Å; D268-K272 VanDerWaalsContact O-CG 3.25Å; D268-K272 WeakPolarHBondContact O-CG 3.38Å; D268-K272 PolarHBondContact O-N 2.67Å; F270-K272 PolarHBondContact O-N 3.04Å; K272-R276 WeakPolarHBondContact O-CB 3.3Å
273A98.3Very high97.6Very high0 Ų066.9 Ų66.90%032%0.319CS..Hα-helixtrans-82-43.5174.500000111.5V245 V247 A269 F270 R271 A277V245-A273 HydrophobicContact CB-CB 4.5Å; V247-A273 HydrophobicContact CB-CB 3.92Å; V247-A273 HydrophobicContact CG2-CB 3.46Å; V247-A273 VanDerWaalsContact CG2-CB 3.46Å; A269-A273 VanDerWaalsContact O-CB 3.24Å; A269-A273 WeakPolarHBondContact O-CB 3.27Å; A269-A273 PolarHBondContact O-N 3.26Å; A269-A273 VanDerWaalsContact O-N 3.13Å; F270-A273 PolarHBondContact O-N 2.78Å; R271-A273 VanDerWaalsContact C-N 3.31Å; R271-A273 PolarHBondContact O-N 2.9Å; A273-A277 PolarHBondContact O-N 2.9Å
274K97.5Very high97.6Very high17 Ų1766.1 Ų66.17%0.07431%0.313CS..Hα-helixtrans-60.2-64.6-177.7-179177.174.7155.30111.4I205 P207 P208 D209 T222 F270 R271 R276 A277I205-K274 HydrophobicContact CG2-CD 3.98Å; P207-K274 WeakPolarHBondContact O-CD 3.28Å; P207-K274 WeakPolarHBondContact O-CE 3.18Å; P207-K274 PolarHBondContact O-NZ 3.21Å; P208-K274 HydrophobicContact CB-CG 4.24Å; P208-K274 HydrophobicContact CG-CG 4.45Å; D209-K274 VanDerWaalsContact OD1-CE 3.31Å; D209-K274 WeakPolarHBondContact OD1-CE 3.48Å; D209-K274 IonicContact OD1-NZ 3.84Å; D209-K274 PolarHBondContact OD1-NZ 3.13Å; T222-K274 HydrophobicContact CG2-CB 4.1Å; T222-K274 HydrophobicContact CG2-CD 4.12Å; T222-K274 HydrophobicContact CG2-CG 3.74Å; F270-K274 WeakPolarHBondContact O-CB 3.41Å; F270-K274 PolarHBondContact O-N 3.2Å; R271-K274 PolarHBondContact O-N 3.24Å; K274-R276 VanDerWaalsContact C-N 3.26Å; K274-R276 PolarHBondContact O-N 3.04Å; K274-A277 WeakPolarHBondContact O-CB 3.35Å; K274-A277 PolarHBondContact O-N 2.76Å
275N97.4Very high97.6Very high46 Ų4665.1 Ų65.125%0.24630%0.295CS..Hα-helixtrans-65.1-35.4-172.4-49.35000110.6D209 R271 A277 I278D209-N275 WeakPolarHBondContact CB-ND2 3.31Å; D209-N275 PolarHBondContact N-OD1 2.99Å; D209-N275 PolarHBondContact OD2-ND2 3.34Å; D209-N275 PolarHBondContact OD2-OD1 3.47Å; R271-N275 PolarHBondContact O-N 3.06Å; R271-N275 PolarHBondContact O-OD1 3.08Å; N275-A277 VanDerWaalsContact C-N 3.26Å; N275-A277 PolarHBondContact O-N 3.24Å; N275-I278 PolarHBondContact O-N 3.26Å
276R97.9Very high97.7Very high128 Ų12863.2 Ų63.248%0.48328%0.28SS..Hα-helixtrans-66.1-22.3175.7-171.8167.9-171-161.5-3.2113.9A259 K272 K274 Y280A259-R276 HydrophobicContact CB-CB 4.04Å; A259-R276 HydrophobicContact CB-CG 4.01Å; K272-R276 WeakPolarHBondContact O-CB 3.3Å; K274-R276 VanDerWaalsContact C-N 3.26Å; K274-R276 PolarHBondContact O-N 3.04Å; R276-Y280 HydrophobicContact CG-CD2 4.29Å; R276-Y280 HydrophobicContact CG-CE2 3.76Å; R276-Y280 PolarHBondContact NH2-OH 3.44Å; R276-Y280 VanDerWaalsContact O-CD2 3.24Å; R276-Y280 WeakPolarHBondContact O-CD2 3.48Å
277A98Very high97.7Very high0 Ų059.5 Ų59.50%027%0.266CS..Hα-helixtrans-74.7-26.6-179.500000112.9V249 A259 A273 K274 N275 Y280V249-A277 HydrophobicContact CB-CB 4.34Å; V249-A277 HydrophobicContact CG1-CB 3.81Å; V249-A277 HydrophobicContact CG2-CB 3.6Å; A259-A277 HydrophobicContact CB-CB 3.85Å; A273-A277 PolarHBondContact O-N 2.9Å; K274-A277 WeakPolarHBondContact O-CB 3.35Å; K274-A277 PolarHBondContact O-N 2.76Å; N275-A277 VanDerWaalsContact C-N 3.26Å; N275-A277 PolarHBondContact O-N 3.24Å; A277-Y280 CarbonylContact O-C 3.57Å; A277-Y280 PolarHBondContact O-N 3.01Å; A277-Y280 VanDerWaalsContact O-N 3.16Å
278I96.7Very high97.7Very high18 Ų1861.5 Ų61.59%0.09227%0.266CS..Hα-helixtrans-69.5-32.1177.6-63.7-66.1000111.9P208 Y217 F220 V249 N275 Y280 L281P208-I278 HydrophobicContact CB-CG1 3.91Å; P208-I278 HydrophobicContact CG-CD1 3.62Å; P208-I278 HydrophobicContact CG-CG1 3.5Å; Y217-I278 HydrophobicContact CD1-CG2 4.13Å; Y217-I278 HydrophobicContact CE1-CG2 3.74Å; F220-I278 HydrophobicContact CB-CD1 4.42Å; F220-I278 HydrophobicContact CD1-CD1 3.66Å; F220-I278 HydrophobicContact CD2-CD1 4.43Å; F220-I278 HydrophobicContact CE1-CD1 3.97Å; F220-I278 HydrophobicContact CG-CD1 3.92Å; F220-I278 HydrophobicContact CZ-CD1 4.46Å; V249-I278 HydrophobicContact CB-CD1 4.24Å; V249-I278 HydrophobicContact CG2-CD1 3.78Å; V249-I278 HydrophobicContact CG2-CG1 4.43Å; N275-I278 PolarHBondContact O-N 3.26Å; I278-Y280 PolarHBondContact O-N 2.78Å; I278-L281 HydrophobicContact CD1-CD2 4.43Å; I278-L281 HydrophobicContact CG2-CD1 4.48Å; I278-L281 WeakPolarHBondContact O-CG 3.39Å
279H96.5Very high97.5Very high133 Ų13359.9 Ų59.962%0.61626%0.264SS*.THydrogen-bonded Turntrans-740.7172.8-49.6-51.5000114.2
280Y97.2Very high97.4Very high120 Ų12060.4 Ų60.447%0.47127%0.266SS..THydrogen-bonded Turntrans-13749.4176.5-52.8-62.6000111.1G257 R276 A277 I278G257-Y280 VanDerWaalsContact CA-O 3.28Å; G257-Y280 WeakPolarHBondContact CA-O 3.45Å; R276-Y280 HydrophobicContact CG-CD2 4.29Å; R276-Y280 HydrophobicContact CG-CE2 3.76Å; R276-Y280 PolarHBondContact NH2-OH 3.44Å; R276-Y280 VanDerWaalsContact O-CD2 3.24Å; R276-Y280 WeakPolarHBondContact O-CD2 3.48Å; A277-Y280 CarbonylContact O-C 3.57Å; A277-Y280 PolarHBondContact O-N 3.01Å; A277-Y280 VanDerWaalsContact O-N 3.16Å; I278-Y280 PolarHBondContact O-N 2.78Å
281L97.8Very high97.4Very high64 Ų6459.2 Ų59.234%0.33526%0.261SS..EExtended strand (participates in β ladder)trans-72.4143168.7-67.5172.4000110.7F220 V249 I278F220-L281 HydrophobicContact CE1-CD1 3.9Å; F220-L281 HydrophobicContact CE1-CD2 3.78Å; F220-L281 HydrophobicContact CZ-CD1 3.89Å; V249-L281 HydrophobicContact CG2-CD2 3.94Å; I278-L281 HydrophobicContact CD1-CD2 4.43Å; I278-L281 HydrophobicContact CG2-CD1 4.48Å; I278-L281 WeakPolarHBondContact O-CG 3.39Å
282H97.9Very high97.4Very high73 Ų7353.7 Ų53.734%0.33824%0.24SC..EExtended strand (participates in β ladder)trans-110139162.1-65.4-85.6000107.9A256 I284 F352A256-H282 PolarHBondContact N-O 3.02Å; A256-H282 PolarHBondContact O-N 2.65Å; H282-I284 HydrophobicContact CB-CD1 3.95Å; H282-I284 HydrophobicContact CB-CG1 4.46Å; H282-F352 HydrophobicContact CB-CD1 4.11Å; H282-F352 HydrophobicContact CB-CE1 4.5Å; H282-F352 AromaticContact CD2-CD1 3.61Å
283Y98Very high97.4Very high160 Ų16049.6 Ų49.663%0.62722%0.223SC*.EExtended strand (participates in β ladder)trans-81.9126.8160.5-172.9-104.9000108.5E285Y283-E285 HydrophobicContact CD1-CG 4.09Å; Y283-E285 HydrophobicContact CE1-CG 3.84Å
284I98.1Very high97.4Very high1 Ų153.1 Ų53.11%0.00524%0.239CC..  trans-116.2111.2178.2-56-57.1000108.1G254 H282 I329 I331 F352 L355 A356G254-I284 WeakPolarHBondContact CA-O 3.45Å; G254-I284 PolarHBondContact O-N 2.99Å; H282-I284 HydrophobicContact CB-CD1 3.95Å; H282-I284 HydrophobicContact CB-CG1 4.46Å; I284-I329 HydrophobicContact CB-CG2 3.79Å; I284-I329 HydrophobicContact CG1-CD1 4.24Å; I284-I329 HydrophobicContact CG1-CG1 4.45Å; I284-I329 HydrophobicContact CG1-CG2 4.38Å; I284-I329 HydrophobicContact CG2-CG2 3.89Å; I284-I331 HydrophobicContact CG2-CD1 4.44Å; I284-F352 HydrophobicContact CD1-CD1 4.41Å; I284-L355 HydrophobicContact CD1-CB 3.79Å; I284-L355 HydrophobicContact CG1-CB 4.41Å; I284-L355 HydrophobicContact CG2-CB 3.83Å; I284-L355 HydrophobicContact CG2-CD1 4.36Å; I284-A356 HydrophobicContact CD1-CB 3.94Å
285E97.6Very high97.4Very high59 Ų5956.2 Ų56.228%0.27626%0.256SS..  trans-64.4150.3176.4-57.9161.2132.300110.6Y283 F293 Q358 T360Y283-E285 HydrophobicContact CD1-CG 4.09Å; Y283-E285 HydrophobicContact CE1-CG 3.84Å; E285-F293 HydrophobicContact CB-CD2 4.49Å; E285-F293 HydrophobicContact CB-CE2 3.88Å; E285-Q358 PolarHBondContact O-NE2 3.06Å; E285-T360 HydrophobicContact CB-CG2 4.45Å; E285-T360 HydrophobicContact CG-CG2 4.41Å; E285-T360 VanDerWaalsContact OE1-CG2 3.28Å; E285-T360 WeakPolarHBondContact OE1-CG2 3.24Å; E285-T360 WeakPolarHBondContact OE2-CG2 3.38Å
286R97.8Very high97.4Very high58 Ų5854.7 Ų54.722%0.21925%0.248CC..  trans-135.8124.4-177.1-65.2177.4-67173.6-3.9110.2G252 E288 G289 T291 G330 I331G252-R286 PolarHBondContact O-NH1 3.33Å; R286-E288 PolarHBondContact O-N 3.38Å; R286-G289 PolarHBondContact NH1-O 3.25Å; R286-G289 PolarHBondContact O-N 3.16Å; R286-T291 CarbonylContact C-O 3.57Å; R286-T291 WeakPolarHBondContact CA-O 3.38Å; R286-G330 WeakPolarHBondContact CD-O 3.31Å; R286-G330 PolarHBondContact NH1-O 3Å; R286-I331 HydrophobicContact CG-CG1 4.15Å
287Y97.5Very high97.4Very high20 Ų2052.8 Ų52.88%0.07825%0.254CS..BIsolated β-bridgetrans-66.2126.1169.9-177.6-104000109.3G289 H290 T291 F293 H361 E374 R376Y287-G289 PolarHBondContact O-N 2.9Å; Y287-H290 PolarHBondContact O-N 3.35Å; Y287-T291 HydrophobicContact CD1-CG2 3.91Å; Y287-T291 PolarHBondContact N-O 2.8Å; Y287-T291 PolarHBondContact O-N 3.15Å; Y287-F293 AromaticContact CD2-CD1 3.95Å; Y287-F293 HydrophobicContact CD2-CD1 3.95Å; Y287-F293 AromaticContact CD2-CE1 3.84Å; Y287-F293 HydrophobicContact CD2-CE1 3.84Å; Y287-F293 HydrophobicContact CG-CD1 4.46Å; Y287-H361 AromaticContact CD2-CE1 3.56Å; Y287-H361 AromaticContact CD2-ND1 3.98Å; Y287-H361 AromaticContact CE2-CE1 3.33Å; Y287-H361 WeakPolarHBondContact CE2-CE1 3.45Å; Y287-H361 AromaticContact CE2-ND1 3.68Å; Y287-E374 PolarHBondContact OH-OE1 3.19Å; Y287-E374 PolarHBondContact OH-OE2 2.98Å; Y287-R376 PolarHBondContact OH-NH2 3.26Å
288E95.8Very high97.3Very high75 Ų7554 Ų5435%0.3526%0.261SS..THydrogen-bonded Turntrans48.122.7-173.5-66.2-176.815500114.9R286 H290 R312 R376R286-E288 PolarHBondContact O-N 3.38Å; E288-H290 WeakPolarHBondContact CB-CD2 3.25Å; E288-H290 PolarHBondContact O-N 3.43Å; E288-H290 IonicContact OE2-CD2 2.77Å; E288-H290 PolarHBondContact OE2-CD2 2.84Å; E288-H290 IonicContact OE2-CE1 3.32Å; E288-H290 IonicContact OE2-NE2 3.83Å; E288-H290 PolarHBondContact OE2-NE2 3.06Å; E288-R312 IonicContact OE1-NH2 2.67Å; E288-R312 PolarHBondContact OE1-NH2 3.22Å; E288-R312 IonicContact OE2-CZ 3Å; E288-R312 VanDerWaalsContact OE2-CZ 3.26Å; E288-R312 IonicContact OE2-NE 2.7Å; E288-R312 PolarHBondContact OE2-NE 3.32Å; E288-R312 IonicContact OE2-NH2 3.66Å; E288-R312 PolarHBondContact OE2-NH2 3.4Å; E288-R376 IonicContact OE1-CZ 3.94Å; E288-R376 IonicContact OE1-NH1 3.43Å; E288-R376 IonicContact OE1-NH2 3.38Å; E288-R376 PolarHBondContact OE1-NH2 3.44Å
289G95Very high97.3Very high27 Ų2762.4 Ų62.428%0.27829%0.291SS..THydrogen-bonded Turntrans67.38.8-175.800000116R286 Y287R286-G289 PolarHBondContact NH1-O 3.25Å; R286-G289 PolarHBondContact O-N 3.16Å; Y287-G289 PolarHBondContact O-N 2.9Å
290H97.1Very high97.3Very high11 Ų1158.2 Ų58.25%0.05127%0.271CS..THydrogen-bonded Turntrans-125-29.4-177.972.182.6000115.6Y287 E288 R312 I331 K332 D333Y287-H290 PolarHBondContact O-N 3.35Å; E288-H290 WeakPolarHBondContact CB-CD2 3.25Å; E288-H290 PolarHBondContact O-N 3.43Å; E288-H290 IonicContact OE2-CD2 2.77Å; E288-H290 PolarHBondContact OE2-CD2 2.84Å; E288-H290 IonicContact OE2-CE1 3.32Å; E288-H290 IonicContact OE2-NE2 3.83Å; E288-H290 PolarHBondContact OE2-NE2 3.06Å; H290-R312 WeakPolarHBondContact NE2-CG 3.39Å; H290-I331 CarbonylContact O-C 3.23Å; H290-K332 HydrophobicContact CB-CB 4.24Å; H290-K332 HydrophobicContact CB-CD 4.19Å; H290-K332 HydrophobicContact CB-CG 4.42Å; H290-K332 PolarHBondContact O-N 2.88Å; H290-D333 IonicContact ND1-OD2 2.68Å; H290-D333 PolarHBondContact O-N 3.38Å; H290-D333 VanDerWaalsContact O-N 3.15Å
291T97.8Very high97.3Very high0 Ų059.2 Ų59.20%028%0.278CS..BIsolated β-bridgetrans-136.5-176.4-174.9-1630000112.8R286 Y287 K309 Q310 D333R286-T291 CarbonylContact C-O 3.57Å; R286-T291 WeakPolarHBondContact CA-O 3.38Å; Y287-T291 HydrophobicContact CD1-CG2 3.91Å; Y287-T291 PolarHBondContact N-O 2.8Å; Y287-T291 PolarHBondContact O-N 3.15Å; T291-K309 HydrophobicContact CG2-CG 3.95Å; T291-Q310 PolarHBondContact OG1-N 3.15Å; T291-D333 VanDerWaalsContact CB-O 3.23Å; T291-D333 WeakPolarHBondContact CB-O 3.28Å; T291-D333 PolarHBondContact OG1-O 3.17Å
292I98.1Very high97.3Very high0 Ų066.5 Ų66.50%030%0.301CS..  trans-88.5156.5175.860.1178.2000110.9H294 I296 M307 K309 I331 M334 L355I292-H294 WeakPolarHBondContact CD1-O 3.36Å; I292-H294 WeakPolarHBondContact CG1-O 3.4Å; I292-H294 PolarHBondContact O-N 3.41Å; I292-I296 HydrophobicContact CD1-CD1 4.15Å; I292-I296 HydrophobicContact CD1-CG1 4.34Å; I292-M307 HydrophobicContact CD1-CB 4Å; I292-K309 HydrophobicContact CG1-CB 4.23Å; I292-K309 WeakPolarHBondContact O-CG 3.41Å; I292-I331 HydrophobicContact CG2-CD1 4.19Å; I292-M334 HydrophobicContact CD1-CG 4.38Å; I292-M334 HydrophobicContact CD1-SD 4.1Å; I292-M334 HydrophobicContact CG2-SD 3.99Å; I292-L355 HydrophobicContact CG2-CD2 3.53Å
293F98.1Very high97.3Very high31 Ų3163 Ų6314%0.13629%0.285CS..SBendtrans-67.8-36.2-175.5-81.3-92000113.9E285 Y287 K309 Q358 T360 H361E285-F293 HydrophobicContact CB-CD2 4.49Å; E285-F293 HydrophobicContact CB-CE2 3.88Å; Y287-F293 AromaticContact CD2-CD1 3.95Å; Y287-F293 HydrophobicContact CD2-CD1 3.95Å; Y287-F293 AromaticContact CD2-CE1 3.84Å; Y287-F293 HydrophobicContact CD2-CE1 3.84Å; Y287-F293 HydrophobicContact CG-CD1 4.46Å; F293-K309 WeakPolarHBondContact O-CD 3.32Å; F293-Q358 HydrophobicContact CD2-CG 4.45Å; F293-Q358 VanDerWaalsContact N-OE1 3.16Å; F293-T360 HydrophobicContact CD2-CG2 4.32Å; F293-T360 HydrophobicContact CE1-CG2 4.45Å; F293-T360 HydrophobicContact CE2-CG2 3.98Å; F293-T360 HydrophobicContact CZ-CG2 4.04Å; F293-H361 AromaticContact CD1-CD2 3.64Å; F293-H361 AromaticContact CD1-CG 3.91Å; F293-H361 AromaticContact CD1-NE2 3.81Å
294H97.8Very high97.3Very high74 Ų7459.4 Ų59.434%0.34327%0.274SS..SBendtrans-152.9176.7-178.457.2-98.3000111.8I292 I296 E359I292-H294 WeakPolarHBondContact CD1-O 3.36Å; I292-H294 WeakPolarHBondContact CG1-O 3.4Å; I292-H294 PolarHBondContact O-N 3.41Å; H294-I296 PolarHBondContact O-N 2.8Å; H294-E359 PolarHBondContact CE1-N 3.36Å; H294-E359 PolarHBondContact CE1-O 3.22Å; H294-E359 PolarHBondContact ND1-O 2.99Å
295D97.9Very high97.2Very high82 Ų8259.4 Ų59.444%0.43927%0.274SS..  trans-73.1114.4178.4-86.925.7000112.1M307 K308 K309D295-M307 CarbonylContact C-O 3.37Å; D295-M307 WeakPolarHBondContact CA-O 3.49Å; D295-K308 WeakPolarHBondContact OD1-CA 3.25Å; D295-K308 VanDerWaalsContact OD1-CB 3.31Å; D295-K308 WeakPolarHBondContact OD1-CB 3.1Å; D295-K308 WeakPolarHBondContact OD2-CD 3.22Å; D295-K308 WeakPolarHBondContact OD2-CE 3.31Å; D295-K308 WeakPolarHBondContact OD2-CG 3.34Å; D295-K308 IonicContact OD2-NZ 3.27Å; D295-K309 PolarHBondContact OD1-N 3.15Å
296I97.7Very high97.2Very high15 Ų1558.6 Ų58.68%0.07727%0.268CS..EExtended strand (participates in β ladder)trans-101115.7-175.3-58.8167.9000110.4I292 H294 L298 M307 L355 Q358I292-I296 HydrophobicContact CD1-CD1 4.15Å; I292-I296 HydrophobicContact CD1-CG1 4.34Å; H294-I296 PolarHBondContact O-N 2.8Å; I296-L298 HydrophobicContact CG2-CD2 4.1Å; I296-M307 HydrophobicContact CB-CB 4.45Å; I296-M307 HydrophobicContact CB-CE 3.76Å; I296-M307 HydrophobicContact CD1-CE 3.96Å; I296-M307 HydrophobicContact CG1-CE 4.46Å; I296-M307 HydrophobicContact CG2-CE 3.72Å; I296-M307 PolarHBondContact N-O 3.08Å; I296-M307 PolarHBondContact O-N 3.48Å; I296-L355 HydrophobicContact CD1-CD2 4.24Å; I296-Q358 HydrophobicContact CD1-CB 4.1Å
297S96.6Very high97.2Very high87 Ų8755.9 Ų55.961%0.60826%0.258SS*.EExtended strand (participates in β ladder)trans-113113.2175.9-168.30000110.7R306S297-R306 PolarHBondContact OG-NE 3.44Å
298L96.1Very high97.3Very high26 Ų2657 Ų5714%0.13626%0.263CS..EExtended strand (participates in β ladder)trans-135.5152.8-175.374.692.6000113.8I296 F300 Q304 I305 M307 G350I296-L298 HydrophobicContact CG2-CD2 4.1Å; L298-F300 HydrophobicContact CD1-CB 4.06Å; L298-Q304 WeakPolarHBondContact O-CA 3.49Å; L298-I305 HydrophobicContact CD1-CB 4.17Å; L298-I305 HydrophobicContact CD1-CD1 4.2Å; L298-I305 HydrophobicContact CD1-CG1 4.14Å; L298-I305 HydrophobicContact CD2-CB 4.44Å; L298-I305 HydrophobicContact CG-CB 4.05Å; L298-I305 PolarHBondContact N-O 2.78Å; L298-I305 PolarHBondContact O-N 3.42Å; L298-M307 HydrophobicContact CD2-CE 4.32Å; L298-G350 WeakPolarHBondContact CD2-O 3.32Å
299R97.2Very high97.4Very high194 Ų19455.9 Ų55.973%0.73226%0.257SS*.EExtended strand (participates in β ladder)trans-124.497.7173.3-176.3178.767.9176.4-0.3111.1K301 T303 Q304R299-K301 WeakPolarHBondContact CG-O 3.46Å; R299-K301 PolarHBondContact O-N 2.89Å; R299-T303 CarbonylContact C-O 3.56Å; R299-T303 WeakPolarHBondContact CA-O 3.32Å; R299-Q304 HydrophobicContact CB-CG 4.31Å; R299-Q304 HydrophobicContact CG-CG 4.06Å
300F97Very high97.5Very high45 Ų4556.6 Ų56.620%0.19725%0.254CS..EExtended strand (participates in β ladder)trans-90.5101173.6-165.3-94.2000110.6L298 R302 T303 N346 R349L298-F300 HydrophobicContact CD1-CB 4.06Å; F300-R302 PolarHBondContact O-N 2.95Å; F300-T303 PolarHBondContact N-O 3.37Å; F300-T303 WeakPolarHBondContact O-CB 3.47Å; F300-T303 PolarHBondContact O-N 3.22Å; F300-N346 HydrophobicContact CD1-CB 4.03Å; F300-N346 WeakPolarHBondContact CD1-O 3.45Å; F300-N346 HydrophobicContact CE1-CB 4.48Å; F300-R349 HydrophobicContact CD1-CB 4.11Å; F300-R349 HydrophobicContact CE1-CB 3.57Å; F300-R349 HydrophobicContact CE1-CG 4.43Å; F300-R349 HydrophobicContact CE2-CB 4.2Å; F300-R349 HydrophobicContact CZ-CB 3.63Å; F300-R349 HydrophobicContact CZ-CG 4.41Å
301K96.8Very high97.5Very high142 Ų14260.5 Ų60.562%0.61728%0.28SS*.THydrogen-bonded Turntrans57.6-120.4-171.9-53.4-172.6176-163.50111.2R299R299-K301 WeakPolarHBondContact CG-O 3.46Å; R299-K301 PolarHBondContact O-N 2.89Å
302R97.4Very high97.4Very high216 Ų21668.5 Ų68.582%0.81531%0.31SS*.THydrogen-bonded Turntrans-92.711.5174.8-62.8-172.6-178.1-178.30.2113.2F300 S341F300-R302 PolarHBondContact O-N 2.95Å; R302-S341 VanDerWaalsContact O-CB 3.31Å; R302-S341 WeakPolarHBondContact O-CB 3.42Å; R302-S341 PolarHBondContact O-N 2.95Å
303T97.8Very high97.3Very high0 Ų072 Ų720%035%0.347CS..EExtended strand (participates in β ladder)trans-107.9116.8178.2-560000108.9R299 F300 I305 V338 S341 N346 L347R299-T303 CarbonylContact C-O 3.56Å; R299-T303 WeakPolarHBondContact CA-O 3.32Å; F300-T303 PolarHBondContact N-O 3.37Å; F300-T303 WeakPolarHBondContact O-CB 3.47Å; F300-T303 PolarHBondContact O-N 3.22Å; T303-I305 HydrophobicContact CG2-CG1 4.19Å; T303-V338 HydrophobicContact CG2-CG1 4.05Å; T303-S341 WeakPolarHBondContact CB-O 3.18Å; T303-S341 WeakPolarHBondContact CG2-O 3.38Å; T303-S341 PolarHBondContact OG1-O 3.3Å; T303-N346 WeakPolarHBondContact OG1-CB 3.34Å; T303-L347 HydrophobicContact CG2-CB 4.42Å
304Q97.4Very high97.3Very high85 Ų8573.1 Ų73.140%0.39735%0.35SS..EExtended strand (participates in β ladder)trans-95.7138.8171.4-72.8165.9-37.100109L298 R299 V338 T339L298-Q304 WeakPolarHBondContact O-CA 3.49Å; R299-Q304 HydrophobicContact CB-CG 4.31Å; R299-Q304 HydrophobicContact CG-CG 4.06Å; Q304-V338 WeakPolarHBondContact O-CA 3.5Å; Q304-V338 WeakPolarHBondContact O-CG1 3.36Å; Q304-T339 VanDerWaalsContact CB-OG1 3.22Å; Q304-T339 WeakPolarHBondContact CB-OG1 3.21Å; Q304-T339 PolarHBondContact N-O 2.97Å; Q304-T339 PolarHBondContact O-N 3.49Å; Q304-T339 PolarHBondContact OE1-OG1 3.23Å
305I97.9Very high97.2Very high0 Ų070.4 Ų70.40%034%0.342CS..EExtended strand (participates in β ladder)trans-132.2124173.8-46-179.5000106.9L298 T303 M307 I322 V338 L347 L351L298-I305 HydrophobicContact CD1-CB 4.17Å; L298-I305 HydrophobicContact CD1-CD1 4.2Å; L298-I305 HydrophobicContact CD1-CG1 4.14Å; L298-I305 HydrophobicContact CD2-CB 4.44Å; L298-I305 HydrophobicContact CG-CB 4.05Å; L298-I305 PolarHBondContact N-O 2.78Å; L298-I305 PolarHBondContact O-N 3.42Å; T303-I305 HydrophobicContact CG2-CG1 4.19Å; I305-M307 HydrophobicContact CG2-CG 3.71Å; I305-M307 HydrophobicContact CG2-SD 4.03Å; I305-I322 HydrophobicContact CG2-CD1 4.43Å; I305-V338 HydrophobicContact CG2-CG2 4.38Å; I305-L347 WeakPolarHBondContact CD1-O 3.48Å; I305-L351 HydrophobicContact CD1-CB 4.43Å
306R97.3Very high97.2Very high42 Ų4266.6 Ų66.616%0.15832%0.322CS..EExtended strand (participates in β ladder)trans-118.9116173.7-58.8-168.566.6-118.9-14.7107.7S297 A336 R337 D409 D412S297-R306 PolarHBondContact OG-NE 3.44Å; R306-A336 CarbonylContact O-C 3.5Å; R306-A336 WeakPolarHBondContact O-CA 3.23Å; R306-R337 PolarHBondContact N-O 2.84Å; R306-R337 PolarHBondContact O-N 3.43Å; R306-D409 VanDerWaalsContact CZ-CB 3.41Å; R306-D409 VanDerWaalsContact CZ-CG 3.49Å; R306-D409 IonicContact CZ-OD1 3.6Å; R306-D409 IonicContact CZ-OD2 2.79Å; R306-D409 IonicContact NE-OD1 2.78Å; R306-D409 IonicContact NH1-OD1 3.21Å; R306-D409 IonicContact NH1-OD2 2.82Å; R306-D409 PolarHBondContact NH1-OD2 2.86Å; R306-D412 IonicContact CZ-OD2 3.48Å; R306-D412 VanDerWaalsContact CZ-OD2 3.23Å; R306-D412 VanDerWaalsContact NH1-CG 3.35Å; R306-D412 IonicContact NH1-OD1 3.9Å; R306-D412 IonicContact NH1-OD2 3.51Å; R306-D412 PolarHBondContact NH1-OD2 2.91Å; R306-D412 IonicContact NH2-OD2 2.67Å; R306-D412 PolarHBondContact NH2-OD2 2.8Å
307M98.2Very high97.2Very high2 Ų272.1 Ų72.11%0.0134%0.342CS..EExtended strand (participates in β ladder)trans-117144.1-175.5-51.5-173.9-66.800108.8I292 D295 I296 L298 I305 M334 Y335 A336 L351 L355I292-M307 HydrophobicContact CD1-CB 4Å; D295-M307 CarbonylContact C-O 3.37Å; D295-M307 WeakPolarHBondContact CA-O 3.49Å; I296-M307 HydrophobicContact CB-CB 4.45Å; I296-M307 HydrophobicContact CB-CE 3.76Å; I296-M307 HydrophobicContact CD1-CE 3.96Å; I296-M307 HydrophobicContact CG1-CE 4.46Å; I296-M307 HydrophobicContact CG2-CE 3.72Å; I296-M307 PolarHBondContact N-O 3.08Å; I296-M307 PolarHBondContact O-N 3.48Å; L298-M307 HydrophobicContact CD2-CE 4.32Å; I305-M307 HydrophobicContact CG2-CG 3.71Å; I305-M307 HydrophobicContact CG2-SD 4.03Å; M307-M334 HydrophobicContact CB-SD 4.24Å; M307-M334 HydrophobicContact SD-CE 4.29Å; M307-M334 HydrophobicContact SD-SD 4.32Å; M307-Y335 CarbonylContact C-O 3.56Å; M307-Y335 WeakPolarHBondContact CA-O 3.49Å; M307-A336 HydrophobicContact CB-CB 4.42Å; M307-A336 HydrophobicContact CG-CB 3.93Å; M307-L351 HydrophobicContact CE-CD1 4.29Å; M307-L351 HydrophobicContact SD-CD1 3.38Å; M307-L351 WeakPolarHBondContact SD-CD1 3.32Å; M307-L355 HydrophobicContact CE-CD2 3.87Å; M307-L355 HydrophobicContact CE-CG 4.15Å; M307-L355 HydrophobicContact SD-CD2 4.44Å
308K97.9Very high97.2Very high43 Ų4368.9 Ų68.919%0.18732%0.319CS..EExtended strand (participates in β ladder)trans-125.4139.1179.9-56-158.1168.8-156.70112.6D295 Y335 D412D295-K308 WeakPolarHBondContact OD1-CA 3.25Å; D295-K308 VanDerWaalsContact OD1-CB 3.31Å; D295-K308 WeakPolarHBondContact OD1-CB 3.1Å; D295-K308 WeakPolarHBondContact OD2-CD 3.22Å; D295-K308 WeakPolarHBondContact OD2-CE 3.31Å; D295-K308 WeakPolarHBondContact OD2-CG 3.34Å; D295-K308 IonicContact OD2-NZ 3.27Å; K308-Y335 HydrophobicContact CB-CD1 4.41Å; K308-Y335 HydrophobicContact CD-CD1 4.35Å; K308-Y335 HydrophobicContact CG-CD1 4.02Å; K308-Y335 PolarHBondContact N-O 3.06Å; K308-Y335 PolarHBondContact O-N 2.9Å; K308-D412 VanDerWaalsContact CE-OD2 3.29Å; K308-D412 WeakPolarHBondContact CE-OD2 3.47Å; K308-D412 IonicContact NZ-OD1 3.63Å; K308-D412 PolarHBondContact NZ-OD1 3.09Å; K308-D412 IonicContact NZ-OD2 2.67Å; K308-D412 PolarHBondContact NZ-OD2 3.29Å
309K98.1Very high97.3Very high51 Ų5169.7 Ų69.722%0.22232%0.322CS..EExtended strand (participates in β ladder)trans-60.9137.6165173.3174.8172-176.30107.4T291 I292 F293 D295 E374T291-K309 HydrophobicContact CG2-CG 3.95Å; I292-K309 HydrophobicContact CG1-CB 4.23Å; I292-K309 WeakPolarHBondContact O-CG 3.41Å; F293-K309 WeakPolarHBondContact O-CD 3.32Å; D295-K309 PolarHBondContact OD1-N 3.15Å; K309-E374 IonicContact NZ-OE1 2.75Å; K309-E374 PolarHBondContact NZ-OE1 3.17Å
310Q97.7Very high97.3Very high43 Ų4366.4 Ų66.420%0.20131%0.309CS..  trans-138151.1178.5-66.1-69.9-89.600109.5T291 Y314T291-Q310 PolarHBondContact OG1-N 3.15Å; Q310-Y314 HydrophobicContact CB-CD1 3.83Å; Q310-Y314 HydrophobicContact CB-CE1 4.45Å; Q310-Y314 HydrophobicContact CB-CG 3.86Å; Q310-Y314 HydrophobicContact CG-CD1 3.68Å; Q310-Y314 HydrophobicContact CG-CD2 4.49Å; Q310-Y314 HydrophobicContact CG-CE1 3.79Å; Q310-Y314 HydrophobicContact CG-CG 4.04Å; Q310-Y314 PolarHBondContact OE1-OH 2.94Å
311P97.1Very high97.4Very high93 Ų9364.2 Ų64.260%0.60430%0.3SS*.  trans-69164.9176.730.4-36000111.8Y314P311-Y314 WeakPolarHBondContact O-CB 3.35Å; P311-Y314 PolarHBondContact O-N 2.97Å
312R96.5Very high97.4Very high167 Ų16757.5 Ų57.563%0.6327%0.271SS*.THydrogen-bonded Turntrans-57.8137179.7-60.9-179.9-173.4-167.75.8111.1E288 H290E288-R312 IonicContact OE1-NH2 2.67Å; E288-R312 PolarHBondContact OE1-NH2 3.22Å; E288-R312 IonicContact OE2-CZ 3Å; E288-R312 VanDerWaalsContact OE2-CZ 3.26Å; E288-R312 IonicContact OE2-NE 2.7Å; E288-R312 PolarHBondContact OE2-NE 3.32Å; E288-R312 IonicContact OE2-NH2 3.66Å; E288-R312 PolarHBondContact OE2-NH2 3.4Å; H290-R312 WeakPolarHBondContact NE2-CG 3.39Å
313G95.5Very high97.5Very high75 Ų7548.4 Ų48.477%0.77324%0.238SC*.THydrogen-bonded Turntrans87.42.9177.600000115.2D333G313-D333 WeakPolarHBondContact CA-OD1 3.38Å; G313-D333 PolarHBondContact N-OD1 2.95Å; G313-D333 PolarHBondContact N-OD2 2.78Å
314Y96.7Very high97.5Very high54 Ų5449 Ų4921%0.21224%0.241CC..  trans-73.3-32172.7-177.1-93.5000113.2Q310 P311 R317 D333Q310-Y314 HydrophobicContact CB-CD1 3.83Å; Q310-Y314 HydrophobicContact CB-CE1 4.45Å; Q310-Y314 HydrophobicContact CB-CG 3.86Å; Q310-Y314 HydrophobicContact CG-CD1 3.68Å; Q310-Y314 HydrophobicContact CG-CD2 4.49Å; Q310-Y314 HydrophobicContact CG-CE1 3.79Å; Q310-Y314 HydrophobicContact CG-CG 4.04Å; Q310-Y314 PolarHBondContact OE1-OH 2.94Å; P311-Y314 WeakPolarHBondContact O-CB 3.35Å; P311-Y314 PolarHBondContact O-N 2.97Å; Y314-R317 HydrophobicContact CD1-CG 4.06Å; Y314-R317 HydrophobicContact CE1-CB 3.75Å; Y314-R317 VanDerWaalsContact CE1-CD 3.5Å; Y314-R317 HydrophobicContact CE1-CG 3.5Å; Y314-R317 VanDerWaalsContact CZ-CD 3.47Å; Y314-R317 PolarHBondContact O-NE 3.5Å; Y314-R317 PolarHBondContact O-NH2 3.24Å; Y314-D333 PolarHBondContact N-OD1 2.83Å
315G97.2Very high97.5Very high16 Ų1645 Ų4517%0.16522%0.223CC..  trans78.8-173.6-178.400000114.9R317 K332 D333 M334G315-R317 PolarHBondContact O-N 3.13Å; G315-K332 CarbonylContact C-O 3.53Å; G315-D333 PolarHBondContact N-OD1 2.65Å; G315-M334 PolarHBondContact O-N 3.18Å
316L98Very high97.6Very high3 Ų345 Ų452%0.01622%0.223CC..EExtended strand (participates in β ladder)trans-92.676.3-178.3-64176.9000111.9C318 I323 C326 R327 I331 K332 M334 T432L316-C318 PolarHBondContact O-N 3.12Å; L316-I323 HydrophobicContact CB-CB 4.47Å; L316-I323 HydrophobicContact CB-CG1 4.08Å; L316-I323 HydrophobicContact CB-CG2 4.1Å; L316-I323 HydrophobicContact CD1-CG2 3.89Å; L316-I323 VanDerWaalsContact O-CD1 3.31Å; L316-I323 WeakPolarHBondContact O-CD1 3.26Å; L316-I323 WeakPolarHBondContact O-CG1 3.39Å; L316-C326 HydrophobicContact CD1-CB 3.84Å; L316-C326 HydrophobicContact CD2-CB 3.82Å; L316-C326 HydrophobicContact CG-CB 4.49Å; L316-R327 HydrophobicContact CD1-CG 3.97Å; L316-I331 HydrophobicContact CD2-CG2 4.19Å; L316-K332 WeakPolarHBondContact CD2-O 3.32Å; L316-K332 VanDerWaalsContact CG-O 3.32Å; L316-K332 WeakPolarHBondContact CG-O 3.43Å; L316-M334 HydrophobicContact CD2-CB 4.23Å; L316-T432 PolarHBondContact N-OG1 2.77Å
317R97.2Very high97.6Very high130 Ų13049.7 Ų49.749%0.49124%0.241SC..EExtended strand (participates in β ladder)trans-80.863.4177.2-52-165.4-163.1-176.2-0.6111.5Y314 G315 M334 Y335 A336Y314-R317 HydrophobicContact CD1-CG 4.06Å; Y314-R317 HydrophobicContact CE1-CB 3.75Å; Y314-R317 VanDerWaalsContact CE1-CD 3.5Å; Y314-R317 HydrophobicContact CE1-CG 3.5Å; Y314-R317 VanDerWaalsContact CZ-CD 3.47Å; Y314-R317 PolarHBondContact O-NE 3.5Å; Y314-R317 PolarHBondContact O-NH2 3.24Å; G315-R317 PolarHBondContact O-N 3.13Å; R317-M334 PolarHBondContact N-O 2.75Å; R317-Y335 HydrophobicContact CB-CD2 4.22Å; R317-A336 PolarHBondContact O-N 3.02Å
318C96.8Very high97.6Very high20 Ų2050 Ų5014%0.13524%0.242CC..SBendtrans-126172.5-169.8-63.90000112.4L316 I322 I323 M334 A336L316-C318 PolarHBondContact O-N 3.12Å; C318-I322 HydrophobicContact CB-CB 3.93Å; C318-I322 HydrophobicContact CB-CG2 3.85Å; C318-I323 HydrophobicContact CB-CG1 3.86Å; C318-I323 WeakPolarHBondContact O-CD1 3.44Å; C318-M334 PolarHBondContact SG-O 3.38Å; C318-A336 HydrophobicContact CB-CB 4.07Å; C318-A336 WeakPolarHBondContact SG-CB 3.41Å; C318-A336 PolarHBondContact SG-N 3.2Å; C318-A336 VanDerWaalsContact SG-N 3.42Å
319H97.5Very high97.6Very high43 Ų4347.9 Ų47.920%0.19923%0.233CC..  trans-62.3138.6165.8173.2-109.6000110.5A321 I322 I323 V338 L347H319-A321 PolarHBondContact O-N 2.87Å; H319-I322 HydrophobicContact CB-CD1 4.16Å; H319-I322 HydrophobicContact CB-CG1 4.23Å; H319-I322 WeakPolarHBondContact O-CA 3.15Å; H319-I322 VanDerWaalsContact O-CB 3.3Å; H319-I322 WeakPolarHBondContact O-CB 3.49Å; H319-I322 PolarHBondContact O-N 2.9Å; H319-I323 PolarHBondContact O-N 3.19Å; H319-V338 HydrophobicContact CB-CG2 4.34Å; H319-L347 WeakPolarHBondContact ND1-CD1 3.44Å
320R97.6Very high97.5Very high124 Ų12446 Ų4647%0.46823%0.228SC..Hα-helixtrans-48.2-31.9-173.863.7-175173.5175.1-3.6116.6W195 T324W195-R320 HydrophobicContact CD2-CB 4.44Å; W195-R320 HydrophobicContact CD2-CG 3.92Å; W195-R320 HydrophobicContact CE3-CG 4.14Å; W195-R320 HydrophobicContact CG-CB 4.46Å; W195-R320 HydrophobicContact CG-CG 4.3Å; W195-R320 HydrophobicContact CZ2-CG 4.46Å; R320-T324 PolarHBondContact O-N 2.89Å; R320-T324 VanDerWaalsContact O-N 3.12Å; R320-T324 PolarHBondContact O-OG1 2.95Å
321A98Very high97.6Very high0 Ų044.1 Ų44.10%022%0.219CC..Hα-helixtrans-75.8-3517500000113W195 L225 H319 T324 I325 M344W195-A321 HydrophobicContact CH2-CB 3.84Å; W195-A321 HydrophobicContact CZ2-CB 3.95Å; L225-A321 HydrophobicContact CD2-CB 4.44Å; H319-A321 PolarHBondContact O-N 2.87Å; A321-T324 PolarHBondContact O-N 2.91Å; A321-I325 WeakPolarHBondContact O-CD1 3.49Å; A321-I325 VanDerWaalsContact O-CG1 3.31Å; A321-I325 WeakPolarHBondContact O-CG1 3.12Å; A321-I325 PolarHBondContact O-N 3.11Å; A321-M344 HydrophobicContact CB-CE 3.96Å; A321-M344 HydrophobicContact CB-SD 3.3Å; A321-M344 WeakPolarHBondContact CB-SD 3.33Å
322I98.3Very high97.6Very high0 Ų046.1 Ų46.10%022%0.218CC..Hα-helixtrans-64.7-46.6171-56.3-179.9000108.9I305 C318 H319 T324 I325 C326 M334 A336 V338 L347 L351I305-I322 HydrophobicContact CG2-CD1 4.43Å; C318-I322 HydrophobicContact CB-CB 3.93Å; C318-I322 HydrophobicContact CB-CG2 3.85Å; H319-I322 HydrophobicContact CB-CD1 4.16Å; H319-I322 HydrophobicContact CB-CG1 4.23Å; H319-I322 WeakPolarHBondContact O-CA 3.15Å; H319-I322 VanDerWaalsContact O-CB 3.3Å; H319-I322 WeakPolarHBondContact O-CB 3.49Å; H319-I322 PolarHBondContact O-N 2.9Å; I322-T324 PolarHBondContact O-N 2.84Å; I322-I325 CarbonylContact O-C 3.29Å; I322-I325 PolarHBondContact O-N 3.27Å; I322-C326 WeakPolarHBondContact O-CB 3.36Å; I322-C326 PolarHBondContact O-N 2.88Å; I322-C326 PolarHBondContact O-SG 3.36Å; I322-C326 VanDerWaalsContact O-SG 3.33Å; I322-M334 HydrophobicContact CG2-CE 3.7Å; I322-A336 HydrophobicContact CD1-CB 4.05Å; I322-A336 HydrophobicContact CG2-CB 4.5Å; I322-V338 HydrophobicContact CD1-CG2 3.74Å; I322-L347 HydrophobicContact CD1-CD2 4.41Å; I322-L347 HydrophobicContact CG1-CD2 3.8Å; I322-L351 HydrophobicContact CB-CD2 4.42Å; I322-L351 HydrophobicContact CG1-CD2 4.27Å; I322-L351 HydrophobicContact CG2-CD1 4.1Å; I322-L351 HydrophobicContact CG2-CD2 4.09Å
323I98.2Very high97.7Very high25 Ų2538.8 Ų38.813%0.12819%0.192CC..Hα-helixtrans-52.4-44.7173.8-56179.8000111L316 C318 H319 I325 R327 T432L316-I323 HydrophobicContact CB-CB 4.47Å; L316-I323 HydrophobicContact CB-CG1 4.08Å; L316-I323 HydrophobicContact CB-CG2 4.1Å; L316-I323 HydrophobicContact CD1-CG2 3.89Å; L316-I323 VanDerWaalsContact O-CD1 3.31Å; L316-I323 WeakPolarHBondContact O-CD1 3.26Å; L316-I323 WeakPolarHBondContact O-CG1 3.39Å; C318-I323 HydrophobicContact CB-CG1 3.86Å; C318-I323 WeakPolarHBondContact O-CD1 3.44Å; H319-I323 PolarHBondContact O-N 3.19Å; I323-I325 VanDerWaalsContact C-N 3.34Å; I323-I325 PolarHBondContact O-N 2.86Å; I323-R327 WeakPolarHBondContact O-CG 3.43Å; I323-R327 PolarHBondContact O-N 3Å; I323-R327 VanDerWaalsContact O-N 3.16Å; I323-T432 HydrophobicContact CD1-CG2 4.17Å
324T98.2Very high97.8Very high12 Ų1235.2 Ų35.27%0.07416%0.155CC..Hα-helixtrans-64.2-36.2179.1-52.40000112.3W195 R223 L225 R320 A321 I322 L328W195-T324 PolarHBondContact NE1-OG1 3.13Å; R223-T324 HydrophobicContact CB-CG2 3.49Å; R223-T324 VanDerWaalsContact CB-CG2 3.49Å; R223-T324 HydrophobicContact CG-CG2 3.93Å; L225-T324 HydrophobicContact CD2-CG2 4.09Å; R320-T324 PolarHBondContact O-N 2.89Å; R320-T324 VanDerWaalsContact O-N 3.12Å; R320-T324 PolarHBondContact O-OG1 2.95Å; A321-T324 PolarHBondContact O-N 2.91Å; I322-T324 PolarHBondContact O-N 2.84Å; T324-L328 WeakPolarHBondContact O-CG 3.38Å
325I98.4Very high97.9Very high1 Ų134.6 Ų34.61%0.00515%0.152CC..Hα-helixtrans-79.3-41.5178.5-64.3161.6000111.4L225 A248 A321 I322 I323 R327 L328 I329 T348 L351 F352L225-I325 HydrophobicContact CD1-CD1 3.81Å; L225-I325 HydrophobicContact CD1-CG1 4.08Å; L225-I325 HydrophobicContact CD2-CD1 4.4Å; L225-I325 HydrophobicContact CD2-CG1 4.13Å; A248-I325 HydrophobicContact CB-CG1 4.22Å; A321-I325 WeakPolarHBondContact O-CD1 3.49Å; A321-I325 VanDerWaalsContact O-CG1 3.31Å; A321-I325 WeakPolarHBondContact O-CG1 3.12Å; A321-I325 PolarHBondContact O-N 3.11Å; I322-I325 CarbonylContact O-C 3.29Å; I322-I325 PolarHBondContact O-N 3.27Å; I323-I325 VanDerWaalsContact C-N 3.34Å; I323-I325 PolarHBondContact O-N 2.86Å; I325-R327 VanDerWaalsContact C-N 3.3Å; I325-R327 PolarHBondContact O-N 2.86Å; I325-L328 WeakPolarHBondContact O-CA 3.25Å; I325-L328 WeakPolarHBondContact O-CB 3.33Å; I325-L328 PolarHBondContact O-N 3.16Å; I325-I329 HydrophobicContact CG2-CD1 3.79Å; I325-I329 HydrophobicContact CG2-CG1 4.32Å; I325-I329 WeakPolarHBondContact O-CG1 3.14Å; I325-I329 PolarHBondContact O-N 3.42Å; I325-T348 HydrophobicContact CD1-CG2 4.02Å; I325-L351 HydrophobicContact CB-CD2 3.92Å; I325-L351 HydrophobicContact CD1-CD2 3.66Å; I325-L351 HydrophobicContact CG1-CD2 4.41Å; I325-L351 HydrophobicContact CG2-CD2 3.75Å; I325-F352 HydrophobicContact CG2-CE2 3.82Å; I325-F352 HydrophobicContact CG2-CZ 3.87Å
326C98.3Very high97.9Very high0 Ų034.1 Ų34.10%015%0.147CC..Hα-helixtrans-58.4-41.2177.4-71.20000111.9L316 I322 L328 I329 G330 I331 M334L316-C326 HydrophobicContact CD1-CB 3.84Å; L316-C326 HydrophobicContact CD2-CB 3.82Å; L316-C326 HydrophobicContact CG-CB 4.49Å; I322-C326 WeakPolarHBondContact O-CB 3.36Å; I322-C326 PolarHBondContact O-N 2.88Å; I322-C326 PolarHBondContact O-SG 3.36Å; I322-C326 VanDerWaalsContact O-SG 3.33Å; C326-L328 VanDerWaalsContact C-N 3.32Å; C326-L328 PolarHBondContact O-N 3.28Å; C326-I329 PolarHBondContact O-N 3.1Å; C326-G330 PolarHBondContact O-N 3.34Å; C326-I331 CarbonylContact C-O 3.57Å; C326-I331 HydrophobicContact CB-CB 4Å; C326-I331 HydrophobicContact CB-CG2 4.34Å; C326-I331 PolarHBondContact O-N 3.06Å; C326-M334 WeakPolarHBondContact SG-CE 3.24Å
327R97.8Very high97.8Very high142 Ų14238.6 Ų38.654%0.53616%0.164SC..Hα-helixtrans-61.7-34.9172.4-70177-176.9176.1-2.5113.4L316 I323 I325 G330 T432L316-R327 HydrophobicContact CD1-CG 3.97Å; I323-R327 WeakPolarHBondContact O-CG 3.43Å; I323-R327 PolarHBondContact O-N 3Å; I323-R327 VanDerWaalsContact O-N 3.16Å; I325-R327 VanDerWaalsContact C-N 3.3Å; I325-R327 PolarHBondContact O-N 2.86Å; R327-G330 PolarHBondContact O-N 3.49Å; R327-T432 PolarHBondContact NE-OXT 2.85Å; R327-T432 PolarHBondContact NH2-OXT 3.14Å
328L98Very high97.8Very high7 Ų733.7 Ų33.74%0.03715%0.148CC..Hα-helixtrans-73.9-29.8175.3-69177.3000113D221 R223 A248 G250 N251 G252 T324 I325 C326D221-L328 HydrophobicContact CB-CD2 3.74Å; D221-L328 WeakPolarHBondContact O-CD2 3.38Å; R223-L328 HydrophobicContact CB-CD1 4.07Å; R223-L328 HydrophobicContact CG-CD1 4.22Å; R223-L328 HydrophobicContact CG-CD2 4.14Å; R223-L328 HydrophobicContact CG-CG 4.36Å; A248-L328 HydrophobicContact CB-CD1 3.81Å; G250-L328 CarbonylContact C-O 3.6Å; G250-L328 VanDerWaalsContact C-O 3.29Å; G250-L328 WeakPolarHBondContact CA-O 3.38Å; N251-L328 PolarHBondContact N-O 3.48Å; G252-L328 WeakPolarHBondContact CA-O 3.33Å; G252-L328 PolarHBondContact N-O 2.66Å; T324-L328 WeakPolarHBondContact O-CG 3.38Å; I325-L328 WeakPolarHBondContact O-CA 3.25Å; I325-L328 WeakPolarHBondContact O-CB 3.33Å; I325-L328 PolarHBondContact O-N 3.16Å; C326-L328 VanDerWaalsContact C-N 3.32Å; C326-L328 PolarHBondContact O-N 3.28Å
329I98.1Very high97.8Very high0 Ų034 Ų340%015%0.15CC..Hα-helixtrans-77-32.6172.1-63.2165.2000110.9G252 N253 G254 A256 I284 I325 C326 I331 L355G252-I329 CarbonylContact C-O 3.59Å; G252-I329 VanDerWaalsContact C-O 3.23Å; N253-I329 PolarHBondContact N-O 3.33Å; G254-I329 WeakPolarHBondContact CA-O 3.33Å; G254-I329 PolarHBondContact N-O 2.9Å; A256-I329 HydrophobicContact CB-CG1 3.57Å; I284-I329 HydrophobicContact CB-CG2 3.79Å; I284-I329 HydrophobicContact CG1-CD1 4.24Å; I284-I329 HydrophobicContact CG1-CG1 4.45Å; I284-I329 HydrophobicContact CG1-CG2 4.38Å; I284-I329 HydrophobicContact CG2-CG2 3.89Å; I325-I329 HydrophobicContact CG2-CD1 3.79Å; I325-I329 HydrophobicContact CG2-CG1 4.32Å; I325-I329 WeakPolarHBondContact O-CG1 3.14Å; I325-I329 PolarHBondContact O-N 3.42Å; C326-I329 PolarHBondContact O-N 3.1Å; I329-I331 HydrophobicContact CB-CD1 4.43Å; I329-I331 HydrophobicContact CB-CG1 4.4Å; I329-I331 HydrophobicContact CD1-CD1 4.31Å; I329-I331 HydrophobicContact CG2-CD1 3.93Å; I329-I331 HydrophobicContact CG2-CG1 3.89Å; I329-L355 HydrophobicContact CD1-CD1 3.72Å
330G97.5Very high97.8Very high11 Ų1134.9 Ų34.911%0.11317%0.17CC..THydrogen-bonded Turntrans88.627.9-168.300000114.2G252 R286 C326 R327G252-G330 WeakPolarHBondContact O-CA 3.43Å; R286-G330 WeakPolarHBondContact CD-O 3.31Å; R286-G330 PolarHBondContact NH1-O 3Å; C326-G330 PolarHBondContact O-N 3.34Å; R327-G330 PolarHBondContact O-N 3.49Å
331I98.2Very high97.7Very high3 Ų331.2 Ų31.22%0.01516%0.164CC..  trans-84.8127.8165.3-65.9167.9000107.6I284 R286 H290 I292 L316 C326 I329 M334 L355I284-I331 HydrophobicContact CG2-CD1 4.44Å; R286-I331 HydrophobicContact CG-CG1 4.15Å; H290-I331 CarbonylContact O-C 3.23Å; I292-I331 HydrophobicContact CG2-CD1 4.19Å; L316-I331 HydrophobicContact CD2-CG2 4.19Å; C326-I331 CarbonylContact C-O 3.57Å; C326-I331 HydrophobicContact CB-CB 4Å; C326-I331 HydrophobicContact CB-CG2 4.34Å; C326-I331 PolarHBondContact O-N 3.06Å; I329-I331 HydrophobicContact CB-CD1 4.43Å; I329-I331 HydrophobicContact CB-CG1 4.4Å; I329-I331 HydrophobicContact CD1-CD1 4.31Å; I329-I331 HydrophobicContact CG2-CD1 3.93Å; I329-I331 HydrophobicContact CG2-CG1 3.89Å; I331-M334 HydrophobicContact CG2-CB 4.08Å; I331-L355 HydrophobicContact CD1-CD1 4.27Å; I331-L355 HydrophobicContact CD1-CD2 4.35Å
332K97.9Very high97.6Very high135 Ų13537.3 Ų37.359%0.58719%0.194SC*.  trans-105.9-38.4-175.2-55.9177.7-175.1174.20112.4H290 G315 L316H290-K332 HydrophobicContact CB-CB 4.24Å; H290-K332 HydrophobicContact CB-CD 4.19Å; H290-K332 HydrophobicContact CB-CG 4.42Å; H290-K332 PolarHBondContact O-N 2.88Å; G315-K332 CarbonylContact C-O 3.53Å; L316-K332 WeakPolarHBondContact CD2-O 3.32Å; L316-K332 VanDerWaalsContact CG-O 3.32Å; L316-K332 WeakPolarHBondContact CG-O 3.43Å
333D98.3Very high97.5Very high13 Ų1340.3 Ų40.37%0.0721%0.21CC..SBendtrans-125.1108.8-170.3-69-73000110.3H290 T291 G313 Y314 G315H290-D333 IonicContact ND1-OD2 2.68Å; H290-D333 PolarHBondContact O-N 3.38Å; H290-D333 VanDerWaalsContact O-N 3.15Å; T291-D333 VanDerWaalsContact CB-O 3.23Å; T291-D333 WeakPolarHBondContact CB-O 3.28Å; T291-D333 PolarHBondContact OG1-O 3.17Å; G313-D333 WeakPolarHBondContact CA-OD1 3.38Å; G313-D333 PolarHBondContact N-OD1 2.95Å; G313-D333 PolarHBondContact N-OD2 2.78Å; Y314-D333 PolarHBondContact N-OD1 2.83Å; G315-D333 PolarHBondContact N-OD1 2.65Å
334M98.1Very high97.5Very high0 Ų040.4 Ų40.40%021%0.21CC..EExtended strand (participates in β ladder)trans-163.2140.4179.9-165.3177.367.600111.8I292 M307 G315 L316 R317 C318 I322 C326 I331 A336I292-M334 HydrophobicContact CD1-CG 4.38Å; I292-M334 HydrophobicContact CD1-SD 4.1Å; I292-M334 HydrophobicContact CG2-SD 3.99Å; M307-M334 HydrophobicContact CB-SD 4.24Å; M307-M334 HydrophobicContact SD-CE 4.29Å; M307-M334 HydrophobicContact SD-SD 4.32Å; G315-M334 PolarHBondContact O-N 3.18Å; L316-M334 HydrophobicContact CD2-CB 4.23Å; R317-M334 PolarHBondContact N-O 2.75Å; C318-M334 PolarHBondContact SG-O 3.38Å; I322-M334 HydrophobicContact CG2-CE 3.7Å; C326-M334 WeakPolarHBondContact SG-CE 3.24Å; I331-M334 HydrophobicContact CG2-CB 4.08Å; M334-A336 HydrophobicContact CE-CB 4.16Å
335Y98Very high97.4Very high41 Ų4140.9 Ų40.916%0.16121%0.212CC..EExtended strand (participates in β ladder)trans-98.8136.4163.8173.7-96.1000110M307 K308 R317 R337M307-Y335 CarbonylContact C-O 3.56Å; M307-Y335 WeakPolarHBondContact CA-O 3.49Å; K308-Y335 HydrophobicContact CB-CD1 4.41Å; K308-Y335 HydrophobicContact CD-CD1 4.35Å; K308-Y335 HydrophobicContact CG-CD1 4.02Å; K308-Y335 PolarHBondContact N-O 3.06Å; K308-Y335 PolarHBondContact O-N 2.9Å; R317-Y335 HydrophobicContact CB-CD2 4.22Å; Y335-R337 HydrophobicContact CE1-CB 4.18Å
336A97.9Very high97.4Very high7 Ų741.8 Ų41.86%0.05822%0.217CC..EExtended strand (participates in β ladder)trans-145.3122.3172.600000113.6R306 M307 R317 C318 I322 M334R306-A336 CarbonylContact O-C 3.5Å; R306-A336 WeakPolarHBondContact O-CA 3.23Å; M307-A336 HydrophobicContact CB-CB 4.42Å; M307-A336 HydrophobicContact CG-CB 3.93Å; R317-A336 PolarHBondContact O-N 3.02Å; C318-A336 HydrophobicContact CB-CB 4.07Å; C318-A336 WeakPolarHBondContact SG-CB 3.41Å; C318-A336 PolarHBondContact SG-N 3.2Å; C318-A336 VanDerWaalsContact SG-N 3.42Å; I322-A336 HydrophobicContact CD1-CB 4.05Å; I322-A336 HydrophobicContact CG2-CB 4.5Å; M334-A336 HydrophobicContact CE-CB 4.16Å
337R96.5Very high97.4Very high97 Ų9741.8 Ų41.837%0.36622%0.217SC..EExtended strand (participates in β ladder)trans-100.4133.9171.6-166.5178.2-173.5166.14.1110.2R306 Y335 T339R306-R337 PolarHBondContact N-O 2.84Å; R306-R337 PolarHBondContact O-N 3.43Å; Y335-R337 HydrophobicContact CE1-CB 4.18Å; R337-T339 HydrophobicContact CG-CG2 4.29Å
338V97.4Very high97.4Very high26 Ų2635 Ų3516%0.15819%0.191CC..EExtended strand (participates in β ladder)trans-110.2132.3171.2-1780000108.5T303 Q304 I305 H319 I322 L347T303-V338 HydrophobicContact CG2-CG1 4.05Å; Q304-V338 WeakPolarHBondContact O-CA 3.5Å; Q304-V338 WeakPolarHBondContact O-CG1 3.36Å; I305-V338 HydrophobicContact CG2-CG2 4.38Å; H319-V338 HydrophobicContact CB-CG2 4.34Å; I322-V338 HydrophobicContact CD1-CG2 3.74Å; V338-L347 HydrophobicContact CG1-CD1 4.31Å; V338-L347 HydrophobicContact CG2-CD1 4.11Å; V338-L347 HydrophobicContact CG2-CG 4.5Å
339T96.4Very high97.5Very high27 Ų2739.7 Ų39.717%0.16621%0.209CC..EExtended strand (participates in β ladder)trans-129.9159.9176.549.20000111.8Q304 R337Q304-T339 VanDerWaalsContact CB-OG1 3.22Å; Q304-T339 WeakPolarHBondContact CB-OG1 3.21Å; Q304-T339 PolarHBondContact N-O 2.97Å; Q304-T339 PolarHBondContact O-N 3.49Å; Q304-T339 PolarHBondContact OE1-OG1 3.23Å; R337-T339 HydrophobicContact CG-CG2 4.29Å
340G95.9Very high97.4Very high62 Ų6239.7 Ų39.764%0.63921%0.209SC*.EExtended strand (participates in β ladder)trans71.9-132-171.600000112.8M342G340-M342 PolarHBondContact O-N 3.12Å
341S96.7Very high97.5Very high47 Ų4739.2 Ų39.233%0.32920%0.203SC..  trans-74.4111.3-171.8-177.50000113.1R302 T303 N343R302-S341 VanDerWaalsContact O-CB 3.31Å; R302-S341 WeakPolarHBondContact O-CB 3.42Å; R302-S341 PolarHBondContact O-N 2.95Å; T303-S341 WeakPolarHBondContact CB-O 3.18Å; T303-S341 WeakPolarHBondContact CG2-O 3.38Å; T303-S341 PolarHBondContact OG1-O 3.3Å; S341-N343 PolarHBondContact O-N 2.83Å
342M95.3Very high97.5Very high127 Ų12739.1 Ų39.163%0.62620%0.203SC*.  trans-77.229175.9-58.2-176.974.400114.5G340 M344G340-M342 PolarHBondContact O-N 3.12Å; M342-M344 PolarHBondContact O-N 2.65Å
343N96.7Very high97.5Very high63 Ų6336.6 Ų36.634%0.33719%0.193SC..  trans-69.6113.5178.6176.5-4.7000110.8S341 L345 N346 L347S341-N343 PolarHBondContact O-N 2.83Å; N343-L345 PolarHBondContact O-N 2.77Å; N343-L345 VanDerWaalsContact O-N 3.08Å; N343-L345 PolarHBondContact OD1-N 3.35Å; N343-N346 HydrophobicContact CB-CB 4.3Å; N343-N346 PolarHBondContact O-N 3.2Å; N343-L347 PolarHBondContact O-N 3.42Å
344M97.4Very high97.4Very high28 Ų2836.2 Ų36.214%0.13819%0.192CC..Hα-helixtrans-51.3-37.7-173.7-160.86876.900114.2W195 L225 E226 L246 A321 M342 T348W195-M344 HydrophobicContact CH2-CE 3.77Å; W195-M344 HydrophobicContact CZ3-CE 3.82Å; L225-M344 HydrophobicContact CB-CG 4.18Å; E226-M344 HydrophobicContact CB-CB 4.46Å; E226-M344 HydrophobicContact CB-CG 4.38Å; L246-M344 HydrophobicContact CD2-CB 4.33Å; L246-M344 HydrophobicContact CD2-CG 3.9Å; A321-M344 HydrophobicContact CB-CE 3.96Å; A321-M344 HydrophobicContact CB-SD 3.3Å; A321-M344 WeakPolarHBondContact CB-SD 3.33Å; M342-M344 PolarHBondContact O-N 2.65Å; M344-T348 WeakPolarHBondContact O-CB 3.37Å; M344-T348 PolarHBondContact O-N 3.43Å; M344-T348 PolarHBondContact O-OG1 2.9Å
345L97.8Very high97.4Very high21 Ų2136.2 Ų36.211%0.1119%0.192CC..Hα-helixtrans-71.4-37179.6178.459.7000112.5L246 I260 N343 R349L246-L345 HydrophobicContact CD1-CD1 4.11Å; L246-L345 HydrophobicContact CD2-CB 4.47Å; L246-L345 HydrophobicContact CD2-CD1 4.47Å; I260-L345 HydrophobicContact CD1-CD1 3.75Å; I260-L345 HydrophobicContact CD1-CD2 3.74Å; I260-L345 HydrophobicContact CD1-CG 4.42Å; I260-L345 HydrophobicContact CG1-CD1 4.28Å; N343-L345 PolarHBondContact O-N 2.77Å; N343-L345 VanDerWaalsContact O-N 3.08Å; N343-L345 PolarHBondContact OD1-N 3.35Å; L345-R349 HydrophobicContact CD1-CG 4.33Å; L345-R349 WeakPolarHBondContact O-CB 3.34Å; L345-R349 VanDerWaalsContact O-CG 3.25Å; L345-R349 WeakPolarHBondContact O-CG 3.41Å; L345-R349 PolarHBondContact O-N 3.39Å; L345-R349 VanDerWaalsContact O-N 3.11Å
346N98Very high97.4Very high21 Ų2136.7 Ų36.711%0.11220%0.204CC..Hα-helixtrans-73.9-37.2175.6-70.1-9.3000110.9F300 T303 N343 G350F300-N346 HydrophobicContact CD1-CB 4.03Å; F300-N346 WeakPolarHBondContact CD1-O 3.45Å; F300-N346 HydrophobicContact CE1-CB 4.48Å; T303-N346 WeakPolarHBondContact OG1-CB 3.34Å; N343-N346 HydrophobicContact CB-CB 4.3Å; N343-N346 PolarHBondContact O-N 3.2Å; N346-G350 PolarHBondContact O-N 3.29Å
347L98.2Very high97.3Very high0 Ų045.1 Ų45.10%024%0.235CC..Hα-helixtrans-60.9-50.7174.4-177.5163.5000110.9T303 I305 H319 I322 V338 N343 G350 L351T303-L347 HydrophobicContact CG2-CB 4.42Å; I305-L347 WeakPolarHBondContact CD1-O 3.48Å; H319-L347 WeakPolarHBondContact ND1-CD1 3.44Å; I322-L347 HydrophobicContact CD1-CD2 4.41Å; I322-L347 HydrophobicContact CG1-CD2 3.8Å; V338-L347 HydrophobicContact CG1-CD1 4.31Å; V338-L347 HydrophobicContact CG2-CD1 4.11Å; V338-L347 HydrophobicContact CG2-CG 4.5Å; N343-L347 PolarHBondContact O-N 3.42Å; L347-G350 PolarHBondContact O-N 2.99Å; L347-L351 WeakPolarHBondContact O-CB 3.4Å; L347-L351 PolarHBondContact O-N 3.03Å
348T98.2Very high97.3Very high0 Ų041 Ų410%022%0.219CC..Hα-helixtrans-62.8-46.4179.4-53.80000111.1L225 F258 I325 M344 G350 L351 F352L225-T348 HydrophobicContact CD1-CG2 4.03Å; F258-T348 HydrophobicContact CB-CG2 3.95Å; F258-T348 HydrophobicContact CD1-CG2 4.03Å; F258-T348 HydrophobicContact CD2-CG2 3.82Å; F258-T348 HydrophobicContact CE2-CG2 4.39Å; F258-T348 HydrophobicContact CG-CG2 3.63Å; I325-T348 HydrophobicContact CD1-CG2 4.02Å; M344-T348 WeakPolarHBondContact O-CB 3.37Å; M344-T348 PolarHBondContact O-N 3.43Å; M344-T348 PolarHBondContact O-OG1 2.9Å; T348-G350 PolarHBondContact O-N 3.31Å; T348-L351 PolarHBondContact O-N 3.04Å; T348-F352 HydrophobicContact CG2-CD2 3.96Å; T348-F352 HydrophobicContact CG2-CE2 4.03Å; T348-F352 WeakPolarHBondContact O-CD2 3.49Å; T348-F352 PolarHBondContact O-N 2.8Å; T348-F352 VanDerWaalsContact O-N 3.1Å
349R98.1Very high97.3Very high105 Ų10543.1 Ų43.140%0.39623%0.228SC..Hα-helixtrans-61.6-43.6176.4-76.5174.8172.7-155.3-4.9112.6F258 F300 L345 H353F258-R349 HydrophobicContact CE2-CG 3.7Å; F258-R349 HydrophobicContact CZ-CB 4.5Å; F258-R349 HydrophobicContact CZ-CG 3.63Å; F300-R349 HydrophobicContact CD1-CB 4.11Å; F300-R349 HydrophobicContact CE1-CB 3.57Å; F300-R349 HydrophobicContact CE1-CG 4.43Å; F300-R349 HydrophobicContact CE2-CB 4.2Å; F300-R349 HydrophobicContact CZ-CB 3.63Å; F300-R349 HydrophobicContact CZ-CG 4.41Å; L345-R349 HydrophobicContact CD1-CG 4.33Å; L345-R349 WeakPolarHBondContact O-CB 3.34Å; L345-R349 VanDerWaalsContact O-CG 3.25Å; L345-R349 WeakPolarHBondContact O-CG 3.41Å; L345-R349 PolarHBondContact O-N 3.39Å; L345-R349 VanDerWaalsContact O-N 3.11Å; R349-H353 WeakPolarHBondContact O-CB 3.36Å; R349-H353 PolarHBondContact O-N 2.84Å
350G97.9Very high97.3Very high0 Ų042.4 Ų42.40%022%0.223CC..Hα-helixtrans-63.7-41.8176.600000112.5L298 N346 L347 T348 H353 G354L298-G350 WeakPolarHBondContact CD2-O 3.32Å; N346-G350 PolarHBondContact O-N 3.29Å; L347-G350 PolarHBondContact O-N 2.99Å; T348-G350 PolarHBondContact O-N 3.31Å; G350-H353 PolarHBondContact O-N 2.75Å; G350-G354 PolarHBondContact O-N 2.89Å
351L98.3Very high97.4Very high0 Ų040.8 Ų40.80%020%0.199CC..Hα-helixtrans-59.6-57177.7179.565.5000111.5I305 M307 I322 I325 L347 T348 H353 G354 L355I305-L351 HydrophobicContact CD1-CB 4.43Å; M307-L351 HydrophobicContact CE-CD1 4.29Å; M307-L351 HydrophobicContact SD-CD1 3.38Å; M307-L351 WeakPolarHBondContact SD-CD1 3.32Å; I322-L351 HydrophobicContact CB-CD2 4.42Å; I322-L351 HydrophobicContact CG1-CD2 4.27Å; I322-L351 HydrophobicContact CG2-CD1 4.1Å; I322-L351 HydrophobicContact CG2-CD2 4.09Å; I325-L351 HydrophobicContact CB-CD2 3.92Å; I325-L351 HydrophobicContact CD1-CD2 3.66Å; I325-L351 HydrophobicContact CG1-CD2 4.41Å; I325-L351 HydrophobicContact CG2-CD2 3.75Å; L347-L351 WeakPolarHBondContact O-CB 3.4Å; L347-L351 PolarHBondContact O-N 3.03Å; T348-L351 PolarHBondContact O-N 3.04Å; L351-H353 VanDerWaalsContact C-N 3.29Å; L351-H353 PolarHBondContact O-N 2.77Å; L351-G354 PolarHBondContact O-N 3.37Å; L351-L355 HydrophobicContact CD1-CD1 3.74Å; L351-L355 HydrophobicContact CD1-CG 4.16Å; L351-L355 HydrophobicContact CG-CD1 3.91Å; L351-L355 WeakPolarHBondContact O-CG 3.29Å; L351-L355 PolarHBondContact O-N 3.47Å
352F98.4Very high97.5Very high2 Ų241.3 Ų41.31%0.00920%0.196CC..Hα-helixtrans-60.5-38.5177.6-83.6-80.9000112.1A256 F258 H282 I284 I325 T348 G354 A356A256-F352 HydrophobicContact CB-CE1 3.92Å; A256-F352 HydrophobicContact CB-CZ 4.02Å; A256-F352 VanDerWaalsContact O-CE1 3.32Å; A256-F352 WeakPolarHBondContact O-CE1 3.43Å; F258-F352 HydrophobicContact CB-CE2 4.22Å; F258-F352 HydrophobicContact CD1-CB 4.47Å; F258-F352 AromaticContact CD1-CD2 3.32Å; F258-F352 HydrophobicContact CD1-CD2 3.32Å; F258-F352 AromaticContact CD1-CE2 3.53Å; F258-F352 HydrophobicContact CD1-CE2 3.53Å; F258-F352 AromaticContact CD1-CG 3.87Å; F258-F352 HydrophobicContact CD1-CG 3.87Å; F258-F352 HydrophobicContact CD1-CZ 4.24Å; F258-F352 HydrophobicContact CE1-CB 3.99Å; F258-F352 AromaticContact CE1-CD2 3.67Å; F258-F352 HydrophobicContact CE1-CD2 3.67Å; F258-F352 HydrophobicContact CE1-CE2 4.34Å; F258-F352 AromaticContact CE1-CG 3.9Å; F258-F352 HydrophobicContact CE1-CG 3.9Å; F258-F352 HydrophobicContact CG-CD2 4.25Å; F258-F352 HydrophobicContact CG-CE2 4.2Å; H282-F352 HydrophobicContact CB-CD1 4.11Å; H282-F352 HydrophobicContact CB-CE1 4.5Å; H282-F352 AromaticContact CD2-CD1 3.61Å; I284-F352 HydrophobicContact CD1-CD1 4.41Å; I325-F352 HydrophobicContact CG2-CE2 3.82Å; I325-F352 HydrophobicContact CG2-CZ 3.87Å; T348-F352 HydrophobicContact CG2-CD2 3.96Å; T348-F352 HydrophobicContact CG2-CE2 4.03Å; T348-F352 WeakPolarHBondContact O-CD2 3.49Å; T348-F352 PolarHBondContact O-N 2.8Å; T348-F352 VanDerWaalsContact O-N 3.1Å; F352-G354 VanDerWaalsContact C-N 3.34Å; F352-G354 PolarHBondContact O-N 3.49Å; F352-A356 WeakPolarHBondContact O-CB 3.37Å; F352-A356 PolarHBondContact O-N 3.26Å
353H97.7Very high97.5Very high81 Ų8140 Ų4038%0.37519%0.189SC..Hα-helixtrans-67.7-28.9177.6-177.473.9000114.1R349 G350 L351 R357R349-H353 WeakPolarHBondContact O-CB 3.36Å; R349-H353 PolarHBondContact O-N 2.84Å; G350-H353 PolarHBondContact O-N 2.75Å; L351-H353 VanDerWaalsContact C-N 3.29Å; L351-H353 PolarHBondContact O-N 2.77Å; H353-R357 VanDerWaalsContact CE1-CZ 3.43Å; H353-R357 PolarHBondContact CE1-NE 3.47Å; H353-R357 PolarHBondContact NE2-NH1 2.91Å; H353-R357 WeakPolarHBondContact O-CB 3.19Å; H353-R357 WeakPolarHBondContact O-CD 3.11Å; H353-R357 VanDerWaalsContact O-CG 3.29Å; H353-R357 WeakPolarHBondContact O-CG 3.35Å
354G97.4Very high97.6Very high5 Ų539.5 Ų39.55%0.05219%0.185CC..Hα-helixtrans-78.2-49.4173.200000112.2G350 L351 F352 A356 R357 Q358G350-G354 PolarHBondContact O-N 2.89Å; L351-G354 PolarHBondContact O-N 3.37Å; F352-G354 VanDerWaalsContact C-N 3.34Å; F352-G354 PolarHBondContact O-N 3.49Å; G354-A356 VanDerWaalsContact C-N 3.32Å; G354-A356 PolarHBondContact O-N 2.86Å; G354-R357 PolarHBondContact O-N 2.93Å; G354-Q358 PolarHBondContact O-N 2.92Å
355L98.1Very high97.6Very high1 Ų138.2 Ų38.21%0.00518%0.179CC..Hα-helixtrans-64.2-35.1-178.5-65.4176.4000112.6I284 I292 I296 M307 I329 I331 L351 R357 Q358I284-L355 HydrophobicContact CD1-CB 3.79Å; I284-L355 HydrophobicContact CG1-CB 4.41Å; I284-L355 HydrophobicContact CG2-CB 3.83Å; I284-L355 HydrophobicContact CG2-CD1 4.36Å; I292-L355 HydrophobicContact CG2-CD2 3.53Å; I296-L355 HydrophobicContact CD1-CD2 4.24Å; M307-L355 HydrophobicContact CE-CD2 3.87Å; M307-L355 HydrophobicContact CE-CG 4.15Å; M307-L355 HydrophobicContact SD-CD2 4.44Å; I329-L355 HydrophobicContact CD1-CD1 3.72Å; I331-L355 HydrophobicContact CD1-CD1 4.27Å; I331-L355 HydrophobicContact CD1-CD2 4.35Å; L351-L355 HydrophobicContact CD1-CD1 3.74Å; L351-L355 HydrophobicContact CD1-CG 4.16Å; L351-L355 HydrophobicContact CG-CD1 3.91Å; L351-L355 WeakPolarHBondContact O-CG 3.29Å; L351-L355 PolarHBondContact O-N 3.47Å; L355-R357 PolarHBondContact O-N 3.19Å; L355-Q358 WeakPolarHBondContact O-CG 3.1Å; L355-Q358 PolarHBondContact O-NE2 2.85Å
356A96.7Very high97.6Very high50 Ų5040.2 Ų40.241%0.41319%0.19SC..THydrogen-bonded Turntrans-84.115.7174.100000113.9I284 F352 G354I284-A356 HydrophobicContact CD1-CB 3.94Å; F352-A356 WeakPolarHBondContact O-CB 3.37Å; F352-A356 PolarHBondContact O-N 3.26Å; G354-A356 VanDerWaalsContact C-N 3.32Å; G354-A356 PolarHBondContact O-N 2.86Å
357R96.3Very high97.5Very high185 Ų18545.6 Ų45.670%0.69821%0.212SC*.THydrogen-bonded Turntrans-130.810.5176.3-80.8-174157.1-159-10.5113.2H353 G354 L355H353-R357 VanDerWaalsContact CE1-CZ 3.43Å; H353-R357 PolarHBondContact CE1-NE 3.47Å; H353-R357 PolarHBondContact NE2-NH1 2.91Å; H353-R357 WeakPolarHBondContact O-CB 3.19Å; H353-R357 WeakPolarHBondContact O-CD 3.11Å; H353-R357 VanDerWaalsContact O-CG 3.29Å; H353-R357 WeakPolarHBondContact O-CG 3.35Å; G354-R357 PolarHBondContact O-N 2.93Å; L355-R357 PolarHBondContact O-N 3.19Å
358Q96Very high97.4Very high9 Ų950 Ų504%0.04223%0.231CC..PPolyproline II helixtrans-72.1130.5173.370.4-168.5-34.600109.9E285 F293 I296 G354 L355E285-Q358 PolarHBondContact O-NE2 3.06Å; F293-Q358 HydrophobicContact CD2-CG 4.45Å; F293-Q358 VanDerWaalsContact N-OE1 3.16Å; I296-Q358 HydrophobicContact CD1-CB 4.1Å; G354-Q358 PolarHBondContact O-N 2.92Å; L355-Q358 WeakPolarHBondContact O-CG 3.1Å; L355-Q358 PolarHBondContact O-NE2 2.85Å
359E96.9Very high97.2Very high72 Ų7250.6 Ų50.634%0.33624%0.238SC..PPolyproline II helixtrans-71131.8161.3-168.5156.2-117.200109.7H294 H363 L364 K367H294-E359 PolarHBondContact CE1-N 3.36Å; H294-E359 PolarHBondContact CE1-O 3.22Å; H294-E359 PolarHBondContact ND1-O 2.99Å; E359-H363 HydrophobicContact CG-CB 4.02Å; E359-L364 HydrophobicContact CG-CB 4.37Å; E359-K367 WeakPolarHBondContact OE1-CD 3.43Å; E359-K367 WeakPolarHBondContact OE1-CE 3.45Å; E359-K367 IonicContact OE1-NZ 2.9Å; E359-K367 PolarHBondContact OE1-NZ 2.68Å; E359-K367 IonicContact OE2-NZ 3.26Å; E359-K367 PolarHBondContact OE2-NZ 2.87Å
360T97.8Very high97.2Very high12 Ų1247.6 Ų47.67%0.07423%0.23CC..PPolyproline II helixtrans-82.6163.7174.464.20000110.5E285 F293 Q362 H363 L364E285-T360 HydrophobicContact CB-CG2 4.45Å; E285-T360 HydrophobicContact CG-CG2 4.41Å; E285-T360 VanDerWaalsContact OE1-CG2 3.28Å; E285-T360 WeakPolarHBondContact OE1-CG2 3.24Å; E285-T360 WeakPolarHBondContact OE2-CG2 3.38Å; F293-T360 HydrophobicContact CD2-CG2 4.32Å; F293-T360 HydrophobicContact CE1-CG2 4.45Å; F293-T360 HydrophobicContact CE2-CG2 3.98Å; F293-T360 HydrophobicContact CZ-CG2 4.04Å; T360-Q362 PolarHBondContact O-N 3.45Å; T360-Q362 PolarHBondContact OG1-N 2.98Å; T360-H363 PolarHBondContact O-N 3.36Å; T360-H363 VanDerWaalsContact OG1-CG 3.23Å; T360-H363 PolarHBondContact OG1-N 2.99Å; T360-H363 PolarHBondContact OG1-ND1 3.5Å; T360-L364 WeakPolarHBondContact O-CB 3.2Å; T360-L364 PolarHBondContact O-N 3.39Å
361H98Very high97.2Very high27 Ų2752.2 Ų52.213%0.12525%0.251CS..Hα-helixtrans-59.2-32.6172.3-60.4169.9000112Y287 F293 L364 A365 V372 V386 A387Y287-H361 AromaticContact CD2-CE1 3.56Å; Y287-H361 AromaticContact CD2-ND1 3.98Å; Y287-H361 AromaticContact CE2-CE1 3.33Å; Y287-H361 WeakPolarHBondContact CE2-CE1 3.45Å; Y287-H361 AromaticContact CE2-ND1 3.68Å; F293-H361 AromaticContact CD1-CD2 3.64Å; F293-H361 AromaticContact CD1-CG 3.91Å; F293-H361 AromaticContact CD1-NE2 3.81Å; H361-L364 PolarHBondContact O-N 2.85Å; H361-A365 WeakPolarHBondContact O-CB 3.44Å; H361-A365 PolarHBondContact O-N 2.98Å; H361-V372 HydrophobicContact CB-CG1 4.22Å; H361-V386 HydrophobicContact CB-CG2 4.47Å; H361-V386 WeakPolarHBondContact ND1-CG2 3.41Å; H361-A387 HydrophobicContact CB-CB 3.87Å; H361-A387 WeakPolarHBondContact O-CB 3.21Å
362Q97.7Very high97.1Very high58 Ų5853.4 Ų53.427%0.27126%0.258SS..Hα-helixtrans-70.5-48.5178.4-168.554.454.900111.7T360 L364 A365 D366 S388 H390T360-Q362 PolarHBondContact O-N 3.45Å; T360-Q362 PolarHBondContact OG1-N 2.98Å; Q362-L364 PolarHBondContact O-N 2.8Å; Q362-A365 PolarHBondContact O-N 2.79Å; Q362-A365 VanDerWaalsContact O-N 3.12Å; Q362-D366 PolarHBondContact NE2-OD1 2.97Å; Q362-D366 PolarHBondContact NE2-OD2 3.32Å; Q362-D366 PolarHBondContact O-N 3.37Å; Q362-S388 PolarHBondContact NE2-O 3.17Å; Q362-S388 PolarHBondContact OE1-O 2.79Å; Q362-H390 VanDerWaalsContact CD-CE1 3.47Å; Q362-H390 PolarHBondContact NE2-CE1 2.95Å; Q362-H390 PolarHBondContact NE2-ND1 3.37Å
363H97Very high97.1Very high101 Ų10156.1 Ų56.147%0.46828%0.275SS..Hα-helixtrans-59.3-36.2174.2-63156.2000111.9E359 T360 K367E359-H363 HydrophobicContact CG-CB 4.02Å; T360-H363 PolarHBondContact O-N 3.36Å; T360-H363 VanDerWaalsContact OG1-CG 3.23Å; T360-H363 PolarHBondContact OG1-N 2.99Å; T360-H363 PolarHBondContact OG1-ND1 3.5Å; H363-K367 WeakPolarHBondContact O-CB 3.35Å; H363-K367 PolarHBondContact O-N 3.18Å
364L97.3Very high97.1Very high51 Ų5153.6 Ų53.627%0.26726%0.263SS..Hα-helixtrans-66.3-43.5174.4-177.162.4000112.4E359 T360 H361 Q362 K368 V372E359-L364 HydrophobicContact CG-CB 4.37Å; T360-L364 WeakPolarHBondContact O-CB 3.2Å; T360-L364 PolarHBondContact O-N 3.39Å; H361-L364 PolarHBondContact O-N 2.85Å; Q362-L364 PolarHBondContact O-N 2.8Å; L364-K368 HydrophobicContact CD1-CD 4Å; L364-K368 HydrophobicContact CD1-CG 4.3Å; L364-K368 WeakPolarHBondContact O-CB 3.39Å; L364-K368 PolarHBondContact O-N 2.84Å; L364-K368 VanDerWaalsContact O-N 3.09Å; L364-V372 HydrophobicContact CB-CG2 4.42Å; L364-V372 HydrophobicContact CD2-CG2 4.18Å; L364-V372 HydrophobicContact CG-CG2 4.25Å
365A97.7Very high97.1Very high1 Ų159.9 Ų59.91%0.00829%0.289CS..Hα-helixtrans-62.4-50.7177.400000111.5H361 Q362 K367 K368 G369 L370 V372 A387H361-A365 WeakPolarHBondContact O-CB 3.44Å; H361-A365 PolarHBondContact O-N 2.98Å; Q362-A365 PolarHBondContact O-N 2.79Å; Q362-A365 VanDerWaalsContact O-N 3.12Å; A365-K367 VanDerWaalsContact C-N 3.3Å; A365-K367 PolarHBondContact O-N 2.88Å; A365-K368 PolarHBondContact O-N 3.34Å; A365-G369 WeakPolarHBondContact O-CA 3.37Å; A365-G369 PolarHBondContact O-N 3.36Å; A365-L370 WeakPolarHBondContact CA-O 3.33Å; A365-L370 WeakPolarHBondContact CB-O 3.36Å; A365-L370 PolarHBondContact O-N 3.33Å; A365-V372 HydrophobicContact CB-CG2 3.98Å; A365-A387 HydrophobicContact CB-CB 4.03Å
366D97.2Very high96.9Very high63 Ų6362.6 Ų62.634%0.33730%0.299SS..Hα-helixtrans-63.8-33.7180-70.5-45.8000112.8Q362 P389 H390Q362-D366 PolarHBondContact NE2-OD1 2.97Å; Q362-D366 PolarHBondContact NE2-OD2 3.32Å; Q362-D366 PolarHBondContact O-N 3.37Å; D366-P389 WeakPolarHBondContact OD1-CA 3.47Å; D366-H390 IonicContact OD1-CG 3.99Å; D366-H390 PolarHBondContact OD1-N 2.98Å; D366-H390 IonicContact OD1-ND1 3.39Å; D366-H390 PolarHBondContact OD1-ND1 3.27Å; D366-H390 IonicContact OD2-CE1 2.99Å; D366-H390 IonicContact OD2-ND1 3.6Å; D366-H390 PolarHBondContact OD2-ND1 3.22Å
367K96.4Very high96.8Very high134 Ų13469.9 Ų69.958%0.58333%0.325SS*.Hα-helixtrans-74.6-32.9177.9172.3-176.1172.7-1720114E359 H363 A365E359-K367 WeakPolarHBondContact OE1-CD 3.43Å; E359-K367 WeakPolarHBondContact OE1-CE 3.45Å; E359-K367 IonicContact OE1-NZ 2.9Å; E359-K367 PolarHBondContact OE1-NZ 2.68Å; E359-K367 IonicContact OE2-NZ 3.26Å; E359-K367 PolarHBondContact OE2-NZ 2.87Å; H363-K367 WeakPolarHBondContact O-CB 3.35Å; H363-K367 PolarHBondContact O-N 3.18Å; A365-K367 VanDerWaalsContact C-N 3.3Å; A365-K367 PolarHBondContact O-N 2.88Å
368K95.8Very high96.8Very high92 Ų9268.6 Ų68.640%0.433%0.327SS..Hα-helixtrans-95.8-17.7179.1-72.4-170.2165.8-155.60113.6L364 A365 L370 E398L364-K368 HydrophobicContact CD1-CD 4Å; L364-K368 HydrophobicContact CD1-CG 4.3Å; L364-K368 WeakPolarHBondContact O-CB 3.39Å; L364-K368 PolarHBondContact O-N 2.84Å; L364-K368 VanDerWaalsContact O-N 3.09Å; A365-K368 PolarHBondContact O-N 3.34Å; K368-L370 VanDerWaalsContact C-N 3.28Å; K368-L370 HydrophobicContact CB-CB 4.21Å; K368-L370 HydrophobicContact CB-CD1 4.42Å; K368-L370 HydrophobicContact CB-CG 4.47Å; K368-E398 VanDerWaalsContact CD-OE1 3.26Å; K368-E398 WeakPolarHBondContact CD-OE1 3.38Å; K368-E398 WeakPolarHBondContact CE-OE1 3.29Å; K368-E398 IonicContact NZ-OE1 2.77Å; K368-E398 PolarHBondContact NZ-OE1 3.05Å; K368-E398 IonicContact NZ-OE2 2.97Å; K368-E398 PolarHBondContact NZ-OE2 3.49Å
369G95.5Very high96.8Very high13 Ų1370.5 Ų70.513%0.13434%0.34CS..THydrogen-bonded Turntrans65.130.8-169.200000112.6A365 L393 S394A365-G369 WeakPolarHBondContact O-CA 3.37Å; A365-G369 PolarHBondContact O-N 3.36Å; G369-L393 CarbonylContact O-C 3.6Å; G369-L393 WeakPolarHBondContact O-CA 3.5Å; G369-L393 WeakPolarHBondContact O-CD1 3.33Å; G369-S394 PolarHBondContact O-N 2.94Å
370L96.7Very high96.7Very high43 Ų4369 Ų6923%0.22535%0.345CS..SBendtrans-135151.1-172.5-72.2173.7000112.2A365 K368 E398A365-L370 WeakPolarHBondContact CA-O 3.33Å; A365-L370 WeakPolarHBondContact CB-O 3.36Å; A365-L370 PolarHBondContact O-N 3.33Å; K368-L370 VanDerWaalsContact C-N 3.28Å; K368-L370 HydrophobicContact CB-CB 4.21Å; K368-L370 HydrophobicContact CB-CD1 4.42Å; K368-L370 HydrophobicContact CB-CG 4.47Å; L370-E398 HydrophobicContact CD1-CG 3.68Å
371H97.6Very high96.7Very high96 Ų9674.2 Ų74.244%0.44438%0.378SS..  trans-66.9133.1173.1-70.7-73.5000111.2V385 S388 L393H371-V385 HydrophobicContact CB-CG1 4.41Å; H371-S388 WeakPolarHBondContact ND1-CB 3.4Å; H371-L393 VanDerWaalsContact CD2-CD1 3.49Å; H371-L393 WeakPolarHBondContact CD2-CD1 3.28Å
372V97.9Very high96.6Very high26 Ų2677.8 Ų77.816%0.15840%0.398CS..EExtended strand (participates in β ladder)trans-92.9114.8171.3-178.30000108.1H361 L364 A365 V386 A387H361-V372 HydrophobicContact CB-CG1 4.22Å; L364-V372 HydrophobicContact CB-CG2 4.42Å; L364-V372 HydrophobicContact CD2-CG2 4.18Å; L364-V372 HydrophobicContact CG-CG2 4.25Å; A365-V372 HydrophobicContact CB-CG2 3.98Å; V372-V386 HydrophobicContact CB-CG2 4.16Å; V372-V386 HydrophobicContact CG1-CG2 3.71Å; V372-V386 VanDerWaalsContact O-CG2 3.28Å; V372-V386 WeakPolarHBondContact O-CG2 3.28Å; V372-V386 PolarHBondContact O-N 3.29Å; V372-A387 HydrophobicContact CB-CB 4.2Å; V372-A387 HydrophobicContact CG2-CB 4.44Å; V372-A387 PolarHBondContact N-O 2.81Å; V372-A387 PolarHBondContact O-N 3.31Å
373V97.8Very high96.6Very high58 Ų5878.7 Ų78.735%0.35241%0.409SS..EExtended strand (participates in β ladder)trans-103.8130.7178.5-176.20000109.3F375 P383 I384 V385V373-F375 HydrophobicContact CB-CE2 4.4Å; V373-F375 HydrophobicContact CG1-CD2 4.28Å; V373-F375 HydrophobicContact CG1-CE1 4.26Å; V373-F375 HydrophobicContact CG1-CE2 3.81Å; V373-F375 HydrophobicContact CG1-CZ 3.8Å; V373-P383 HydrophobicContact CG1-CB 3.55Å; V373-I384 CarbonylContact C-O 3.59Å; V373-I384 WeakPolarHBondContact CA-O 3.28Å; V373-V385 HydrophobicContact CG2-CG2 4.44Å
374E97.2Very high96.6Very high29 Ų2976.3 Ų76.314%0.13640%0.399CS..EExtended strand (participates in β ladder)trans-103.4123.4169.1-169.2177.4-115.200109.3Y287 K309 R376 I384 V386Y287-E374 PolarHBondContact OH-OE1 3.19Å; Y287-E374 PolarHBondContact OH-OE2 2.98Å; K309-E374 IonicContact NZ-OE1 2.75Å; K309-E374 PolarHBondContact NZ-OE1 3.17Å; E374-R376 HydrophobicContact CG-CG 4.26Å; E374-R376 IonicContact OE2-CZ 2.65Å; E374-R376 IonicContact OE2-NE 3.55Å; E374-R376 PolarHBondContact OE2-NE 2.86Å; E374-R376 IonicContact OE2-NH2 2.72Å; E374-R376 PolarHBondContact OE2-NH2 3.32Å; E374-I384 PolarHBondContact N-O 2.77Å; E374-I384 WeakPolarHBondContact O-CB 3.44Å; E374-I384 PolarHBondContact O-N 2.78Å; E374-I384 VanDerWaalsContact O-N 3.17Å; E374-V386 HydrophobicContact CB-CG1 3.71Å; E374-V386 HydrophobicContact CB-CG2 4.15Å
375F97Very high96.6Very high136 Ų13677.9 Ų77.960%0.59641%0.411SS*.PPolyproline II helixtrans-95.7137.9167.8-65.2-78.9000109.1V373 P383V373-F375 HydrophobicContact CB-CE2 4.4Å; V373-F375 HydrophobicContact CG1-CD2 4.28Å; V373-F375 HydrophobicContact CG1-CE1 4.26Å; V373-F375 HydrophobicContact CG1-CE2 3.81Å; V373-F375 HydrophobicContact CG1-CZ 3.8Å; F375-P383 HydrophobicContact CE1-CB 3.82Å; F375-P383 HydrophobicContact CZ-CB 4.15Å
376R95.3Very high96.6Very high58 Ų5879.9 Ų79.922%0.21942%0.423CS..  trans-128.5129.1-178.4-56.3-174.3175.7-164.5-1.2110Y287 E288 E374 E378 C379 G380 I384Y287-R376 PolarHBondContact OH-NH2 3.26Å; E288-R376 IonicContact OE1-CZ 3.94Å; E288-R376 IonicContact OE1-NH1 3.43Å; E288-R376 IonicContact OE1-NH2 3.38Å; E288-R376 PolarHBondContact OE1-NH2 3.44Å; E374-R376 HydrophobicContact CG-CG 4.26Å; E374-R376 IonicContact OE2-CZ 2.65Å; E374-R376 IonicContact OE2-NE 3.55Å; E374-R376 PolarHBondContact OE2-NE 2.86Å; E374-R376 IonicContact OE2-NH2 2.72Å; E374-R376 PolarHBondContact OE2-NH2 3.32Å; R376-E378 HydrophobicContact CB-CG 3.87Å; R376-E378 WeakPolarHBondContact CD-OE1 3.42Å; R376-E378 IonicContact NH1-OE1 2.77Å; R376-E378 PolarHBondContact NH1-OE1 3.41Å; R376-E378 PolarHBondContact O-N 3.05Å; R376-C379 HydrophobicContact CB-CB 4.26Å; R376-C379 PolarHBondContact O-N 3.39Å; R376-G380 PolarHBondContact O-N 3.44Å; R376-I384 HydrophobicContact CG-CD1 4.19Å
377E94.7Very high96.6Very high204 Ų20477.3 Ų77.395%0.95341%0.41SS*.G310 helixtrans-54.9-36.3178-63.1174.6-177.900112C379 G380E377-C379 VanDerWaalsContact C-N 3.26Å; E377-C379 PolarHBondContact O-N 3.34Å; E377-G380 PolarHBondContact O-N 3.46Å
378E95.5Very high96.6Very high157 Ų15773.5 Ų73.573%0.73440%0.401SS*.G310 helixtrans-66.6-17.9175.362.1-177.4-17100114.8R376R376-E378 HydrophobicContact CB-CG 3.87Å; R376-E378 WeakPolarHBondContact CD-OE1 3.42Å; R376-E378 IonicContact NH1-OE1 2.77Å; R376-E378 PolarHBondContact NH1-OE1 3.41Å; R376-E378 PolarHBondContact O-N 3.05Å
379C95.7Very high96.7Very high49 Ų4970 Ų7033%0.33139%0.387SS..G310 helixtrans-110.42.4179.3-58.90000113.2R376 E377 L382R376-C379 HydrophobicContact CB-CB 4.26Å; R376-C379 PolarHBondContact O-N 3.39Å; E377-C379 VanDerWaalsContact C-N 3.26Å; E377-C379 PolarHBondContact O-N 3.34Å; C379-L382 HydrophobicContact CB-CB 4.23Å; C379-L382 HydrophobicContact CB-CD2 4.46Å
380G95.5Very high96.7Very high41 Ų4176.7 Ų76.742%0.42341%0.414SS..THydrogen-bonded Turntrans60.1-134.7-175.200000112.3R376 E377 L382R376-G380 PolarHBondContact O-N 3.44Å; E377-G380 PolarHBondContact O-N 3.46Å; G380-L382 VanDerWaalsContact C-N 3.26Å; G380-L382 PolarHBondContact O-N 3.34Å
381P96.5Very high96.6Very high121 Ų12177.2 Ų77.279%0.78643%0.431SS*.THydrogen-bonded Turntrans-80.43.9-174.434.3-36.9000114.7P383P381-P383 VanDerWaalsContact O-CD 3.28Å; P381-P383 WeakPolarHBondContact O-CD 3.43Å
382L97.1Very high96.3Very high103 Ų10377.2 Ų77.254%0.53945%0.447SS..  trans-64.9117.6-174.7-177.369.8000111.8C379 G380 I384C379-L382 HydrophobicContact CB-CB 4.23Å; C379-L382 HydrophobicContact CB-CD2 4.46Å; G380-L382 VanDerWaalsContact C-N 3.26Å; G380-L382 PolarHBondContact O-N 3.34Å; L382-I384 PolarHBondContact O-N 3.26Å
383P97Very high96.2Very high77 Ų7780.1 Ų80.150%0.546%0.461SS..  trans-78.5108.5177.730.3-32.9000111V373 F375 P381V373-P383 HydrophobicContact CG1-CB 3.55Å; F375-P383 HydrophobicContact CE1-CB 3.82Å; F375-P383 HydrophobicContact CZ-CB 4.15Å; P381-P383 VanDerWaalsContact O-CD 3.28Å; P381-P383 WeakPolarHBondContact O-CD 3.43Å
384I97.4Very high95.9Very high50 Ų5079.6 Ų79.626%0.25646%0.46SS..EExtended strand (participates in β ladder)trans-91106.9176.8-54.5177.1000108.9V373 E374 R376 L382 V386V373-I384 CarbonylContact C-O 3.59Å; V373-I384 WeakPolarHBondContact CA-O 3.28Å; E374-I384 PolarHBondContact N-O 2.77Å; E374-I384 WeakPolarHBondContact O-CB 3.44Å; E374-I384 PolarHBondContact O-N 2.78Å; E374-I384 VanDerWaalsContact O-N 3.17Å; R376-I384 HydrophobicContact CG-CD1 4.19Å; L382-I384 PolarHBondContact O-N 3.26Å; I384-V386 HydrophobicContact CG2-CG1 4.07Å; I384-V386 PolarHBondContact O-N 2.79Å
385V97.2Very high95.8Very high84 Ų8488 Ų8851%0.50950%0.496SS..EExtended strand (participates in β ladder)trans-70.3111.3173.7-176.60000109H371 V373H371-V385 HydrophobicContact CB-CG1 4.41Å; V373-V385 HydrophobicContact CG2-CG2 4.44Å
386V97.4Very high95.6Very high44 Ų4488.9 Ų88.927%0.26750%0.502SS..EExtended strand (participates in β ladder)trans-101.7-14.1-177-67.70000113.6H361 V372 E374 I384H361-V386 HydrophobicContact CB-CG2 4.47Å; H361-V386 WeakPolarHBondContact ND1-CG2 3.41Å; V372-V386 HydrophobicContact CB-CG2 4.16Å; V372-V386 HydrophobicContact CG1-CG2 3.71Å; V372-V386 VanDerWaalsContact O-CG2 3.28Å; V372-V386 WeakPolarHBondContact O-CG2 3.28Å; V372-V386 PolarHBondContact O-N 3.29Å; E374-V386 HydrophobicContact CB-CG1 3.71Å; E374-V386 HydrophobicContact CB-CG2 4.15Å; I384-V386 HydrophobicContact CG2-CG1 4.07Å; I384-V386 PolarHBondContact O-N 2.79Å
387A97.5Very high95.5Very high8 Ų891.6 Ų91.67%0.06653%0.527CS..EExtended strand (participates in β ladder)trans-157.3154.3167.400000111.1H361 A365 V372H361-A387 HydrophobicContact CB-CB 3.87Å; H361-A387 WeakPolarHBondContact O-CB 3.21Å; A365-A387 HydrophobicContact CB-CB 4.03Å; V372-A387 HydrophobicContact CB-CB 4.2Å; V372-A387 HydrophobicContact CG2-CB 4.44Å; V372-A387 PolarHBondContact N-O 2.81Å; V372-A387 PolarHBondContact O-N 3.31Å
388S97.4Very high95.4Very high55 Ų5586.6 Ų86.639%0.38550%0.504SS..  trans-131.1146.6173.852.80000109.4Q362 H371Q362-S388 PolarHBondContact NE2-O 3.17Å; Q362-S388 PolarHBondContact OE1-O 2.79Å; H371-S388 WeakPolarHBondContact ND1-CB 3.4Å
389P97.2Very high95.3Very high18 Ų1885 Ų8512%0.11751%0.508CS..  trans-63.2143.6173.928.3-34.6000110.6D366 G391 L393D366-P389 WeakPolarHBondContact OD1-CA 3.47Å; P389-G391 VanDerWaalsContact C-N 3.35Å; P389-L393 HydrophobicContact CG-CD1 3.8Å
390H95.7Very high95.2Very high153 Ų15391.8 Ų91.871%0.70853%0.534SS*.SBendtrans-77-25.7167.9-60.598.4000112Q362 D366Q362-H390 VanDerWaalsContact CD-CE1 3.47Å; Q362-H390 PolarHBondContact NE2-CE1 2.95Å; Q362-H390 PolarHBondContact NE2-ND1 3.37Å; D366-H390 IonicContact OD1-CG 3.99Å; D366-H390 PolarHBondContact OD1-N 2.98Å; D366-H390 IonicContact OD1-ND1 3.39Å; D366-H390 PolarHBondContact OD1-ND1 3.27Å; D366-H390 IonicContact OD2-CE1 2.99Å; D366-H390 IonicContact OD2-ND1 3.6Å; D366-H390 PolarHBondContact OD2-ND1 3.22Å
391G93.5Very high95Very high55 Ų5594.1 Ų94.157%0.56754%0.542SS*.SBendtrans-85.3-166.9177.300000113.3P389 L393P389-G391 VanDerWaalsContact C-N 3.35Å; G391-L393 PolarHBondContact O-N 3.36Å
392A92.7Very high94.9Very high96 Ų9697.9 Ų97.979%0.79355%0.549SS*.PPolyproline II helixtrans-62.4129.217400000111.1
393L94.9Very high94.8Very high86 Ų8698.9 Ų98.945%0.4556%0.559SS.*PPolyproline II helixtrans-69130.5170.9-173.873.7000109.5G369 H371 P389 G391G369-L393 CarbonylContact O-C 3.6Å; G369-L393 WeakPolarHBondContact O-CA 3.5Å; G369-L393 WeakPolarHBondContact O-CD1 3.33Å; H371-L393 VanDerWaalsContact CD2-CD1 3.49Å; H371-L393 WeakPolarHBondContact CD2-CD1 3.28Å; P389-L393 HydrophobicContact CG-CD1 3.8Å; G391-L393 PolarHBondContact O-N 3.36Å
394S92.4Very high94.7Very high47 Ų4799.2 Ų99.233%0.32956%0.561SS.*PPolyproline II helixtrans-61.5135.6171.2-177.50000110G369 E396G369-S394 PolarHBondContact O-N 2.94Å; S394-E396 PolarHBondContact OG-N 3.27Å; S394-E396 VanDerWaalsContact OG-N 3.14Å; S394-E396 PolarHBondContact OG-O 2.81Å
395K93.7Very high94.5Very high206 Ų206103.9 Ų103.990%0.89659%0.587SS**SBendtrans-86.9-17.5170.6-61.9-177.4-178.51800112.3
396E93.1Very high94.3Very high154 Ų154104.3 Ų104.372%0.7259%0.59SS**SBendtrans-96.5130.2-179-68.6171.6-156.800109.4S394S394-E396 PolarHBondContact OG-N 3.27Å; S394-E396 VanDerWaalsContact OG-N 3.14Å; S394-E396 PolarHBondContact OG-O 2.81Å
397P93.5Very high94.2Very high115 Ų115111.3 Ų111.375%0.74762%0.617SS**PPolyproline II helixtrans-73.2161.5174.432.5-35.2000111
398E93Very high94.1Very high99 Ų99117.4 Ų117.446%0.46365%0.647SS.*PPolyproline II helixtrans-71.3141.9170.4-61.3-167130.700110.7K368 L370 E400K368-E398 VanDerWaalsContact CD-OE1 3.26Å; K368-E398 WeakPolarHBondContact CD-OE1 3.38Å; K368-E398 WeakPolarHBondContact CE-OE1 3.29Å; K368-E398 IonicContact NZ-OE1 2.77Å; K368-E398 PolarHBondContact NZ-OE1 3.05Å; K368-E398 IonicContact NZ-OE2 2.97Å; K368-E398 PolarHBondContact NZ-OE2 3.49Å; L370-E398 HydrophobicContact CD1-CG 3.68Å; E398-E400 PolarHBondContact O-N 2.93Å
399P93.5Very high93.9Very high125 Ų125117.1 Ų117.181%0.81264%0.642SS**PPolyproline II helixtrans-68.6127.9175.728-34000110.6P401P399-P401 VanDerWaalsContact O-CD 3.31Å; P399-P401 WeakPolarHBondContact O-CD 3.31Å
400E93Very high93.8Very high190 Ų190123.6 Ų123.689%0.88866%0.664SS**  trans-86.8114.1179.4-62-171.7168.900111E398E398-E400 PolarHBondContact O-N 2.93Å
401P92.5Very high93.7Very high90 Ų90119.2 Ų119.258%0.58464%0.644SS**  trans-83.6134.2175.532.8-32.8000111.1P399 V403P399-P401 VanDerWaalsContact O-CD 3.31Å; P399-P401 WeakPolarHBondContact O-CD 3.31Å; P401-V403 PolarHBondContact O-N 3.07Å; P401-V403 VanDerWaalsContact O-N 3.16Å
402E93.5Very high93.7Very high201 Ų201118 Ų11894%0.93962%0.624SS**SBendtrans-53.4-37.1176.4-62-178.4173.200113
403V95.2Very high93.8Very high123 Ų123114.8 Ų114.875%0.74559%0.594SS**SBendtrans-137.9116.4177.7-175.30000109.9P401P401-V403 PolarHBondContact O-N 3.07Å; P401-V403 VanDerWaalsContact O-N 3.16Å
404P93.7Very high93.8Very high84 Ų84114.6 Ų114.655%0.54559%0.59SS.*  trans-82130.7179.530.6-33.8000112.6T406P404-T406 PolarHBondContact O-N 3.18Å
405D94.8Very high93.9Very high148 Ų148114 Ų11479%0.79159%0.589SS**  trans-73.556.6171.7-176.130.8000112.5
406T92.7Very high93.9Very high94 Ų94111.6 Ų111.658%0.57758%0.582SS**  trans-93122.7175.9-65.30000110.2P404 L408P404-T406 PolarHBondContact O-N 3.18Å; T406-L408 HydrophobicContact CG2-CD2 4.41Å; T406-L408 WeakPolarHBondContact O-CG 3.48Å; T406-L408 PolarHBondContact O-N 3.42Å
407K94.9Very high94.1Very high190 Ų190109.6 Ų109.683%0.82657%0.573SS**  trans-70.389.9-177.5-70174.4-177.9167.50112
408L94.5Very high94.1Very high136 Ų136107 Ų10771%0.71257%0.567SS**  trans-65147.5179.9-54.6-175.8000112.8T406 V413T406-L408 HydrophobicContact CG2-CD2 4.41Å; T406-L408 WeakPolarHBondContact O-CG 3.48Å; T406-L408 PolarHBondContact O-N 3.42Å; L408-V413 HydrophobicContact CB-CG2 4.16Å; L408-V413 HydrophobicContact CD1-CG2 4.13Å
409D94.1Very high94.2Very high49 Ų49106.8 Ų106.826%0.26257%0.568SS.*  trans-98.3120.1170.9-177.991.8000110.8R306 Q411 D412 V413R306-D409 VanDerWaalsContact CZ-CB 3.41Å; R306-D409 VanDerWaalsContact CZ-CG 3.49Å; R306-D409 IonicContact CZ-OD1 3.6Å; R306-D409 IonicContact CZ-OD2 2.79Å; R306-D409 IonicContact NE-OD1 2.78Å; R306-D409 IonicContact NH1-OD1 3.21Å; R306-D409 IonicContact NH1-OD2 2.82Å; R306-D409 PolarHBondContact NH1-OD2 2.86Å; D409-Q411 PolarHBondContact O-N 2.67Å; D409-Q411 WeakPolarHBondContact OD2-CB 3.04Å; D409-Q411 WeakPolarHBondContact OD2-CG 3.26Å; D409-Q411 PolarHBondContact OD2-N 2.65Å; D409-D412 PolarHBondContact O-N 2.72Å; D409-V413 PolarHBondContact O-N 3.48Å
410W94.8Very high94.1Very high155 Ų155103 Ų10359%0.58754%0.539SS*.Hα-helixtrans-55.4-26.1-177.9176.3-132.6000114.1D412 V413 K414W410-D412 VanDerWaalsContact C-N 3.26Å; W410-D412 PolarHBondContact O-N 3.16Å; W410-V413 HydrophobicContact CE3-CB 4.03Å; W410-V413 HydrophobicContact CE3-CG1 4.12Å; W410-V413 HydrophobicContact CZ3-CB 4.35Å; W410-V413 HydrophobicContact CZ3-CG1 3.98Å; W410-K414 HydrophobicContact CD2-CB 4.26Å; W410-K414 HydrophobicContact CE3-CB 4.34Å; W410-K414 HydrophobicContact CH2-CB 4.3Å; W410-K414 HydrophobicContact CH2-CG 4.46Å; W410-K414 HydrophobicContact CZ2-CB 4.24Å; W410-K414 HydrophobicContact CZ2-CD 3.92Å; W410-K414 HydrophobicContact CZ2-CG 4.22Å; W410-K414 HydrophobicContact CZ3-CB 4.35Å; W410-K414 WeakPolarHBondContact O-CB 3.42Å; W410-K414 PolarHBondContact O-N 2.82Å
411Q93.3Very high94Very high61 Ų61105.2 Ų105.229%0.28554%0.54SS..Hα-helixtrans-74.7-18.8-179.2-44.8178.19.600113D409D409-Q411 PolarHBondContact O-N 2.67Å; D409-Q411 WeakPolarHBondContact OD2-CB 3.04Å; D409-Q411 WeakPolarHBondContact OD2-CG 3.26Å; D409-Q411 PolarHBondContact OD2-N 2.65Å
412D93.6Very high94.1Very high28 Ų28104.1 Ų104.115%0.1553%0.534CS..Hα-helixtrans-91.7-45.2173.3-72.5-27.5000111.1R306 K308 D409 W410 K414 A415 M416R306-D412 IonicContact CZ-OD2 3.48Å; R306-D412 VanDerWaalsContact CZ-OD2 3.23Å; R306-D412 VanDerWaalsContact NH1-CG 3.35Å; R306-D412 IonicContact NH1-OD1 3.9Å; R306-D412 IonicContact NH1-OD2 3.51Å; R306-D412 PolarHBondContact NH1-OD2 2.91Å; R306-D412 IonicContact NH2-OD2 2.67Å; R306-D412 PolarHBondContact NH2-OD2 2.8Å; K308-D412 VanDerWaalsContact CE-OD2 3.29Å; K308-D412 WeakPolarHBondContact CE-OD2 3.47Å; K308-D412 IonicContact NZ-OD1 3.63Å; K308-D412 PolarHBondContact NZ-OD1 3.09Å; K308-D412 IonicContact NZ-OD2 2.67Å; K308-D412 PolarHBondContact NZ-OD2 3.29Å; D409-D412 PolarHBondContact O-N 2.72Å; W410-D412 VanDerWaalsContact C-N 3.26Å; W410-D412 PolarHBondContact O-N 3.16Å; D412-K414 VanDerWaalsContact C-N 3.31Å; D412-K414 PolarHBondContact O-N 3.06Å; D412-A415 CarbonylContact O-C 3.52Å; D412-A415 WeakPolarHBondContact O-CA 3.37Å; D412-A415 VanDerWaalsContact O-CB 3.26Å; D412-A415 WeakPolarHBondContact O-CB 3.44Å; D412-A415 PolarHBondContact O-N 2.96Å; D412-M416 WeakPolarHBondContact O-CG 3.13Å; D412-M416 PolarHBondContact O-N 3.12Å
413V95.6Very high94.1Very high29 Ų29100.1 Ų100.118%0.17652%0.523CS..Hα-helixtrans-54.9-48.7173.3179.80000110.6L408 D409 W410 A415 M416 Q417L408-V413 HydrophobicContact CB-CG2 4.16Å; L408-V413 HydrophobicContact CD1-CG2 4.13Å; D409-V413 PolarHBondContact O-N 3.48Å; W410-V413 HydrophobicContact CE3-CB 4.03Å; W410-V413 HydrophobicContact CE3-CG1 4.12Å; W410-V413 HydrophobicContact CZ3-CB 4.35Å; W410-V413 HydrophobicContact CZ3-CG1 3.98Å; V413-A415 PolarHBondContact O-N 2.92Å; V413-M416 HydrophobicContact CG2-CE 4.45Å; V413-M416 PolarHBondContact O-N 2.97Å; V413-Q417 WeakPolarHBondContact O-CG 3.03Å; V413-Q417 PolarHBondContact O-N 2.86Å
414K95.5Very high94.1Very high82 Ų82103.5 Ų103.536%0.35752%0.523SS..Hα-helixtrans-64-20.3174.8-165.3174.7-178.8162.10113.6W410 D412 L419 K420W410-K414 HydrophobicContact CD2-CB 4.26Å; W410-K414 HydrophobicContact CE3-CB 4.34Å; W410-K414 HydrophobicContact CH2-CB 4.3Å; W410-K414 HydrophobicContact CH2-CG 4.46Å; W410-K414 HydrophobicContact CZ2-CB 4.24Å; W410-K414 HydrophobicContact CZ2-CD 3.92Å; W410-K414 HydrophobicContact CZ2-CG 4.22Å; W410-K414 HydrophobicContact CZ3-CB 4.35Å; W410-K414 WeakPolarHBondContact O-CB 3.42Å; W410-K414 PolarHBondContact O-N 2.82Å; D412-K414 VanDerWaalsContact C-N 3.31Å; D412-K414 PolarHBondContact O-N 3.06Å; K414-L419 HydrophobicContact CD-CB 4.45Å; K414-L419 WeakPolarHBondContact CE-O 3.49Å; K414-L419 HydrophobicContact CG-CB 3.59Å; K414-L419 CarbonylContact O-C 3.55Å; K414-L419 PolarHBondContact O-N 3.22Å; K414-K420 WeakPolarHBondContact O-CB 3.48Å; K414-K420 PolarHBondContact O-N 2.99Å
415A93.6Very high93.8Very high36 Ų36103.4 Ų103.430%0.29851%0.514SS..Hα-helixtrans-80.9-45.3173.800000111.9D412 V413 Q417 G418 K420D412-A415 CarbonylContact O-C 3.52Å; D412-A415 WeakPolarHBondContact O-CA 3.37Å; D412-A415 VanDerWaalsContact O-CB 3.26Å; D412-A415 WeakPolarHBondContact O-CB 3.44Å; D412-A415 PolarHBondContact O-N 2.96Å; V413-A415 PolarHBondContact O-N 2.92Å; A415-Q417 VanDerWaalsContact C-N 3.33Å; A415-Q417 PolarHBondContact O-N 3.49Å; A415-G418 PolarHBondContact O-N 2.83Å; A415-G418 VanDerWaalsContact O-N 3.13Å; A415-K420 HydrophobicContact CB-CB 4.44Å; A415-K420 HydrophobicContact CB-CD 3.55Å
416M94.1Very high93.6Very high155 Ų155102 Ų10276%0.76451%0.506SS*.Hα-helixtrans-62.3-41.3177.9-62.6-173.5-58.600111.1D412 V413 G418D412-M416 WeakPolarHBondContact O-CG 3.13Å; D412-M416 PolarHBondContact O-N 3.12Å; V413-M416 HydrophobicContact CG2-CE 4.45Å; V413-M416 PolarHBondContact O-N 2.97Å; M416-G418 PolarHBondContact O-N 3.41Å; M416-G418 VanDerWaalsContact O-N 3.12Å
417Q96.6Very high93.7Very high112 Ų112101.2 Ų101.252%0.52350%0.498SS..THydrogen-bonded Turntrans-72.76175.6-65.7173.3-26.300114.5V413 A415 L419V413-Q417 WeakPolarHBondContact O-CG 3.03Å; V413-Q417 PolarHBondContact O-N 2.86Å; A415-Q417 VanDerWaalsContact C-N 3.33Å; A415-Q417 PolarHBondContact O-N 3.49Å; Q417-L419 HydrophobicContact CB-CD1 4.11Å; Q417-L419 HydrophobicContact CB-CG 4.01Å; Q417-L419 PolarHBondContact O-N 3.21Å
418G93.6Very high93.7Very high61 Ų61102.4 Ų102.463%0.62950%0.503SS*.SBendtrans68.2-9.1-177.800000116.1A415 M416 K420A415-G418 PolarHBondContact O-N 2.83Å; A415-G418 VanDerWaalsContact O-N 3.13Å; M416-G418 PolarHBondContact O-N 3.41Å; M416-G418 VanDerWaalsContact O-N 3.12Å; G418-K420 PolarHBondContact O-N 3.42Å
419L95.1Very high93.8Very high93 Ų93104.9 Ų104.949%0.48750%0.503SS..  trans-65.8-7.3-176.2-63.3179.4000114.8K414 Q417 R421K414-L419 HydrophobicContact CD-CB 4.45Å; K414-L419 WeakPolarHBondContact CE-O 3.49Å; K414-L419 HydrophobicContact CG-CB 3.59Å; K414-L419 CarbonylContact O-C 3.55Å; K414-L419 PolarHBondContact O-N 3.22Å; Q417-L419 HydrophobicContact CB-CD1 4.11Å; Q417-L419 HydrophobicContact CB-CG 4.01Å; Q417-L419 PolarHBondContact O-N 3.21Å; L419-R421 VanDerWaalsContact C-N 3.33Å; L419-R421 PolarHBondContact O-N 3.33Å
420K91Very high93.8Very high46 Ų46108.1 Ų108.120%0.253%0.527CS..  trans-83.165.1-177.2-173179.1164.5-171.20112.7K414 A415 G418 S422K414-K420 WeakPolarHBondContact O-CB 3.48Å; K414-K420 PolarHBondContact O-N 2.99Å; A415-K420 HydrophobicContact CB-CB 4.44Å; A415-K420 HydrophobicContact CB-CD 3.55Å; G418-K420 PolarHBondContact O-N 3.42Å; K420-S422 PolarHBondContact O-N 3.38Å
421R92.2Very high93.8Very high237 Ų237105.7 Ų105.789%0.89454%0.54SS*.  trans-65.5117.4172.9-60.2-178.6-176.9176.20.8110.6L419L419-R421 VanDerWaalsContact C-N 3.33Å; L419-R421 PolarHBondContact O-N 3.33Å
422S93Very high93.5Very high67 Ų67106 Ų10647%0.46955%0.546SS..  trans-162.3115.7176.1175.50000112K420 W424 F425K420-S422 PolarHBondContact O-N 3.38Å; S422-W424 PolarHBondContact O-N 3.32Å; S422-W424 VanDerWaalsContact O-N 3.08Å; S422-F425 WeakPolarHBondContact O-CB 3.41Å; S422-F425 PolarHBondContact O-N 2.78Å; S422-F425 VanDerWaalsContact O-N 3.13Å
423V95.3Very high93.4Very high117 Ų117110 Ų11071%0.70957%0.566SS**THydrogen-bonded Turntrans-63.3-13.6-179.8-58.70000114.5L427V423-L427 WeakPolarHBondContact O-CD2 3.46Å
424W93.6Very high93.3Very high194 Ų194114.2 Ų114.274%0.73559%0.587SS**THydrogen-bonded Turntrans-95-7.8-179.9-56.1106.5000113.7S422 L427S422-W424 PolarHBondContact O-N 3.32Å; S422-W424 VanDerWaalsContact O-N 3.08Å; W424-L427 HydrophobicContact CE3-CD1 3.86Å; W424-L427 HydrophobicContact CZ3-CD1 4.49Å
425F87.8Confident93.2Very high81 Ų81116 Ų11636%0.35560%0.599SS.*SBendtrans-84.8148.6177.8-166.4-121.1000110.3S422 L427S422-F425 WeakPolarHBondContact O-CB 3.41Å; S422-F425 PolarHBondContact O-N 2.78Å; S422-F425 VanDerWaalsContact O-N 3.13Å; F425-L427 PolarHBondContact O-N 3.38Å
426N90Very high93.2Very high118 Ų118120.7 Ų120.763%0.63162%0.617SS**SBendtrans51.915.9179.3-64.8-6.8000117.9K428N426-K428 PolarHBondContact O-N 2.82Å
427L95.2Very high93.1Very high78 Ų78118.6 Ų118.641%0.40861%0.608SS.*  trans-56.1135.8171-69.2176.8000112.1V423 W424 F425 R429V423-L427 WeakPolarHBondContact O-CD2 3.46Å; W424-L427 HydrophobicContact CE3-CD1 3.86Å; W424-L427 HydrophobicContact CZ3-CD1 4.49Å; F425-L427 PolarHBondContact O-N 3.38Å; L427-R429 WeakPolarHBondContact O-CG 3.44Å
428K96.1Very high92.9Very high215 Ų215119 Ų11994%0.93561%0.614SS**  trans-56.9133.5171.6-63.9-177179.6-178.60110.2N426N426-K428 PolarHBondContact O-N 2.82Å
429R95.4Very high92.8Very high188 Ų188123.1 Ų123.171%0.70961%0.613SS**  trans-142.2156.2-173.6-74167.9-165.1-111.9-0.6109.7L427L427-R429 WeakPolarHBondContact O-CG 3.44Å
430P95.7Very high92.7Very high117 Ų117125.5 Ų125.576%0.7662%0.622SS**  trans-64.6158.4171.829.7-36.5000111.4
431A93.2Very high92.8Very high104 Ų104132.1 Ų132.186%0.8666%0.657SS**  trans-58.2153.4175.500000112.9
432T86.4Confident92.9Very high69 Ų69122.5 Ų122.542%0.42364%0.636SS.*  trans-138.20-167.957.80000112.2L316 I323 R327L316-T432 PolarHBondContact N-OG1 2.77Å; I323-T432 HydrophobicContact CD1-CG2 4.17Å; R327-T432 PolarHBondContact NE-OXT 2.85Å; R327-T432 PolarHBondContact NH2-OXT 3.14Å

Retrieved 432 of 432 residues in 775.3 ms (Link to these results)