A0A096NCS7_PAPAN Loading...

FEZ family zinc finger 2

AlphaFold DB (A0A2K5MX32), UniProt , Accession A0A096NCS7, Species PAPAN (Papio anubis, Olive baboon), Gene FEZF2, Length 457 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.6Very low32.5Very low239 Ų239142.8 Ų142.8100%1.17786%0.858SS**  0105.30-62160.3-175.700105.2
2A32.8Very low32.6Very low100 Ų100140.3 Ų140.383%0.82685%0.848SS**  74.410353.200000112.4
3S33.5Very low32.4Very low132 Ų132139.8 Ų139.892%0.92385%0.849SS**  trans-140.8133.7153.1-79.10000107.3
4S34.8Very low32.3Very low113 Ų113136.8 Ų136.879%0.7985%0.846SS**PPolyproline II helixtrans-98142.8-169.946.30000112.5
5A32.8Very low31.9Very low103 Ų103136.1 Ų136.185%0.85185%0.846SS**PPolyproline II helixtrans-88.7130.516300000109.7
6S34.4Very low31.8Very low115 Ų115134.9 Ų134.980%0.80484%0.841SS**PPolyproline II helixtrans-89.5162.3176.9-63.70000112.1
7L33.9Very low31.7Very low157 Ų157141.4 Ų141.482%0.82285%0.846SS**PPolyproline II helixtrans-90.8150.8178.8-57.894.1000112.2
8E30.7Very low31.5Very low196 Ų196139.1 Ų139.192%0.91685%0.845SS**  trans-165.4139.7130.2-103.7167.5-174.700107.1
9T30.1Very low31.1Very low107 Ų107135.9 Ų135.966%0.65684%0.843SS**  cis128.289.53.1-67.90000109
10M28.6Very low30.8Very low178 Ų178134.7 Ų134.788%0.87785%0.847SS**  trans55.3138.4157.5-53.6-170.8179.100118.5
11V31.3Very low30.8Very low131 Ų131133.3 Ų133.379%0.79484%0.842SS**  -160.3147.160159.70000110.1
12P34.2Very low30.9Very low113 Ų113127.8 Ų127.873%0.73482%0.824SS**  trans-93.2145.6179.935.3-34.7000115.1
13P30Very low30.7Very low133 Ų133127 Ų12786%0.86482%0.818SS**  trans-84.1165.6169.434.9-34.9000113.2
14A30.8Very low30.7Very low98 Ų98127 Ų12781%0.8181%0.812SS**  trans-112.7148.6-172.100000114.6
15C25.8Very low30.7Very low126 Ų126127 Ų12785%0.85181%0.812SS**  trans-175.6168.7166-109.10000109.9
16P31.1Very low30.7Very low117 Ų117131 Ų13176%0.7681%0.811SS**  -133.5-178.6-52.137.1-19.9000113.3
17R30.1Very low30.8Very low245 Ų245131.6 Ų131.693%0.92581%0.809SS**  trans-82.6159.1159.5-94.7-175.5173-165.20.7109.7
18A27.7Very low31.2Very low100 Ų100130.1 Ų130.183%0.82680%0.801SS**  cis-159.3171.9-7.300000109.9
19G24.2Very low31.4Very low79 Ų79123.9 Ų123.981%0.81478%0.783SS**  trans-151.3152.9173.500000112.3
20A24.8Very low31.6Very low112 Ų112126 Ų12693%0.92678%0.784SS**  trans-90.1170.4-165.100000115.7
21S30.3Very low32.2Very low105 Ų105120.5 Ų120.573%0.73476%0.763SS**  trans-100.3168.8-175.4-159.60000112.1
22P38Very low32.9Very low124 Ų124117.6 Ų117.681%0.80574%0.742SS**  -144175.188.836.6-19.3000116.8
23A28.1Very low33Very low84 Ų84118.8 Ų118.869%0.69474%0.738SS**  trans-31.6149.4177.600000118.1
24T32.4Very low33.5Very low130 Ų130120.9 Ų120.980%0.79873%0.729SS**  -163127.259.537.80000113.4
25S34.6Very low34.2Very low113 Ų113121 Ų12179%0.7971%0.714SS**  trans-163.6-0.5165.7-88.40000116.5T27S25-T27 PolarHBondContact O-N 2.89Å
26K33.1Very low34.9Very low189 Ų189117.8 Ų117.882%0.82269%0.687SS**THydrogen-bonded Turntrans-76.8-12.3-167.6-65.6-174.7176.3-178.50115.7
27T37.2Very low35.3Very low127 Ų127113.8 Ų113.878%0.77967%0.665SS**THydrogen-bonded Turntrans-80.6-20.9-171.9-31.20000114.9S25S25-T27 PolarHBondContact O-N 2.89Å
28L42.4Very low35.7Very low125 Ų125109.5 Ų109.565%0.65465%0.653SS**THydrogen-bonded Turntrans-92.2-32.9-172.1-89.2164.2000114.6F30 S31L28-F30 PolarHBondContact O-N 2.68Å; L28-S31 WeakPolarHBondContact O-CB 3.05Å; L28-S31 PolarHBondContact O-N 3.22Å; L28-S31 VanDerWaalsContact O-N 3.16Å
29A35.7Very low36.2Very low65 Ų65110.6 Ų110.654%0.53765%0.649SS.*Hα-helixtrans-58.8-50.7-179.100000112.1S31 I32A29-S31 PolarHBondContact O-N 3.22Å; A29-I32 PolarHBondContact O-N 2.89Å
30F33.2Very low36.7Very low153 Ų153110.8 Ų110.867%0.67164%0.638SS**Hα-helixtrans-56.9-13.2177-78-76.3000115.3L28 R34L28-F30 PolarHBondContact O-N 2.68Å; F30-R34 VanDerWaalsContact O-CB 3.29Å; F30-R34 WeakPolarHBondContact O-CB 3.44Å
31S41.9Very low37Very low61 Ų61112.6 Ų112.643%0.42763%0.627SS.*Hα-helixtrans-83.3-27.1176.4-65.60000113.3L28 A29 I35L28-S31 WeakPolarHBondContact O-CB 3.05Å; L28-S31 PolarHBondContact O-N 3.22Å; L28-S31 VanDerWaalsContact O-N 3.16Å; A29-S31 PolarHBondContact O-N 3.22Å; S31-I35 VanDerWaalsContact O-CD1 3.28Å; S31-I35 WeakPolarHBondContact O-CD1 3.34Å; S31-I35 VanDerWaalsContact O-CG1 3.27Å; S31-I35 WeakPolarHBondContact O-CG1 3.32Å
32I44.6Very low36.9Very low70 Ų70113.6 Ų113.636%0.35963%0.631SS.*Hα-helixtrans-85.6-48.9-172.3-62.9175.3000110.9A29 R34 I35 M36 L402A29-I32 PolarHBondContact O-N 2.89Å; I32-R34 VanDerWaalsContact C-N 3.27Å; I32-R34 PolarHBondContact O-N 3.35Å; I32-I35 WeakPolarHBondContact O-CB 3.19Å; I32-I35 PolarHBondContact O-N 3.27Å; I32-M36 WeakPolarHBondContact O-CG 3.49Å; I32-M36 PolarHBondContact O-N 2.83Å; I32-M36 VanDerWaalsContact O-N 3.17Å; I32-L402 HydrophobicContact CD1-CD2 4.09Å
33E37.4Very low36.7Very low138 Ų138119.5 Ų119.565%0.64564%0.637SS**Hα-helixtrans-59.4-40.2176-65.6175.9159.700111.4I35 M36 A37E33-I35 PolarHBondContact O-N 3.09Å; E33-M36 PolarHBondContact O-N 3.24Å; E33-A37 WeakPolarHBondContact O-CB 3.28Å; E33-A37 PolarHBondContact O-N 2.9Å
34R40.8Very low36.7Very low178 Ų178119.4 Ų119.467%0.67264%0.636SS**Hα-helixtrans-70.4-8.3177.8-154.3174.1-163.3178.47.8114.4F30 I32 K38F30-R34 VanDerWaalsContact O-CB 3.29Å; F30-R34 WeakPolarHBondContact O-CB 3.44Å; I32-R34 VanDerWaalsContact C-N 3.27Å; I32-R34 PolarHBondContact O-N 3.35Å; R34-K38 WeakPolarHBondContact O-CD 3.43Å; R34-K38 WeakPolarHBondContact O-CG 3.37Å
35I44.4Very low36.5Very low99 Ų99119.2 Ų119.251%0.50864%0.638SS.*Hα-helixtrans-89.7-41.1166.8-71.8166.5000110.1S31 I32 E33S31-I35 VanDerWaalsContact O-CD1 3.28Å; S31-I35 WeakPolarHBondContact O-CD1 3.34Å; S31-I35 VanDerWaalsContact O-CG1 3.27Å; S31-I35 WeakPolarHBondContact O-CG1 3.32Å; I32-I35 WeakPolarHBondContact O-CB 3.19Å; I32-I35 PolarHBondContact O-N 3.27Å; E33-I35 PolarHBondContact O-N 3.09Å
36M40.2Very low36.2Very low59 Ų59123.5 Ų123.529%0.29164%0.643SS.*Hα-helixtrans-69-47.9-179.7-60.7-76.6-85.100112.3I32 E33 K38 T39 M406I32-M36 WeakPolarHBondContact O-CG 3.49Å; I32-M36 PolarHBondContact O-N 2.83Å; I32-M36 VanDerWaalsContact O-N 3.17Å; E33-M36 PolarHBondContact O-N 3.24Å; M36-K38 VanDerWaalsContact C-N 3.27Å; M36-K38 PolarHBondContact O-N 2.9Å; M36-T39 PolarHBondContact O-N 3.44Å; M36-T39 VanDerWaalsContact O-N 3.07Å; M36-T39 PolarHBondContact O-OG1 3.13Å; M36-M406 HydrophobicContact CE-CB 4.46Å
37A39.3Very low35.9Very low34 Ų34123 Ų12328%0.28164%0.643SS.*G310 helixtrans-59.4-36.1-178.500000113E33 T39 S40E33-A37 WeakPolarHBondContact O-CB 3.28Å; E33-A37 PolarHBondContact O-N 2.9Å; A37-T39 PolarHBondContact O-N 3.22Å; A37-S40 PolarHBondContact O-N 3.15Å; A37-S40 PolarHBondContact O-OG 2.77Å
38K40.1Very low35.4Very low155 Ų155122.9 Ų122.967%0.67464%0.644SS**G310 helixtrans-68.63177.5-73.3-176.3179.5171.30115.1R34 M36R34-K38 WeakPolarHBondContact O-CD 3.43Å; R34-K38 WeakPolarHBondContact O-CG 3.37Å; M36-K38 VanDerWaalsContact C-N 3.27Å; M36-K38 PolarHBondContact O-N 2.9Å
39T36.8Very low34.7Very low123 Ų123128.7 Ų128.776%0.75566%0.658SS**G310 helixtrans-117.27.1173.346.10000113.7M36 A37M36-T39 PolarHBondContact O-N 3.44Å; M36-T39 VanDerWaalsContact O-N 3.07Å; M36-T39 PolarHBondContact O-OG1 3.13Å; A37-T39 PolarHBondContact O-N 3.22Å
40S36.2Very low34.4Very low82 Ų82131.6 Ų131.657%0.57367%0.671SS**THydrogen-bonded Turntrans-137.25.3-172.255.60000116.5A37A37-S40 PolarHBondContact O-N 3.15Å; A37-S40 PolarHBondContact O-OG 2.77Å
41E29.4Very low34.1Very low151 Ų151128.1 Ų128.171%0.70668%0.678SS**  trans-102.9112.7-179.9-73.4168.9-168.400111.7
42P28.4Very low33.4Very low125 Ų125130 Ų13081%0.81270%0.698SS**PPolyproline II helixtrans-67.2140.1159.130.3-32.6000109A44P42-A44 PolarHBondContact O-N 2.63Å
43R34.2Very low32.6Very low248 Ų248134.1 Ų134.194%0.93672%0.72SS**PPolyproline II helixtrans-83.7117-171.7-152.9178.7-171.7-148.7-2.9110
44A28.2Very low32Very low82 Ų82136.2 Ų136.268%0.67873%0.729SS**PPolyproline II helixtrans-59.6146.1174.200000111.5P42P42-A44 PolarHBondContact O-N 2.63Å
45P28.3Very low31.3Very low127 Ų127132 Ų13283%0.82573%0.733SS**PPolyproline II helixtrans-59.3153168.3-21.233.6000111.7
46F28.5Very low30.4Very low203 Ų203135.7 Ų135.789%0.8975%0.754SS**PPolyproline II helixtrans-102.9116.4172.4-124.9-93.7000108.2
47E26Very low29.7Very low179 Ų179135 Ų13584%0.83676%0.762SS**PPolyproline II helixtrans-79.1136.6168.5-67.8-167.8148.100110.5
48P28.1Very low29.1Very low124 Ų124138.9 Ų138.981%0.80579%0.786SS**PPolyproline II helixtrans-85.4132.2168.633.2-30.6000110.5
49R26.7Very low28.5Very low247 Ų247140.7 Ų140.793%0.93280%0.797SS**PPolyproline II helixtrans-96.9130.7170.7-141.3174.2-162.4-103.12.2109.6
50P30.1Very low27.9Very low125 Ų125138.6 Ų138.681%0.81280%0.8SS**PPolyproline II helixtrans-93.9169.7-170.236.9-37.5000114.5
51G27.5Very low27.7Very low80 Ų80144.6 Ų144.683%0.82582%0.816SS**  trans105.2138.4172.700000113.4
52A25.6Very low27.6Very low101 Ų101147.4 Ų147.484%0.83583%0.826SS**  cis-152.7-179.9-10.600000109.3
53L27.8Very low27.5Very low157 Ų157149.2 Ų149.282%0.82283%0.828SS**  trans-73.9153.5174-66.585.2000111.3
54E25.1Very low27.2Very low181 Ų181145.4 Ų145.485%0.84683%0.825SS**  -160.3157.5118.7-99.1-48.5108.800108.9
55A27Very low27Very low91 Ų91149 Ų14975%0.75283%0.833SS**  trans-149.9101.6-169.700000115.4
56D25.4Very low26.9Very low176 Ų176150.6 Ų150.694%0.94183%0.834SS**  trans-159.3160.8159.8-151.121.8000108
57G24.8Very low26.7Very low45 Ų45146.7 Ų146.746%0.46483%0.83SS.*  cis-173115-1.900000112.9
58S26.9Very low26.7Very low114 Ų114143.4 Ų143.480%0.79783%0.827SS**  trans69.4163.9161.482.70000121.4
59Q28.3Very low27.1Very low193 Ų193142.6 Ų142.690%0.90282%0.822SS**  trans75108.8168.2-45.8-148.915.400118.7
60G24.1Very low27.1Very low79 Ų79138.5 Ų138.581%0.81482%0.818SS**  trans-111.5168.9-17400000115.4
61K30.9Very low27.4Very low209 Ų209138 Ų13891%0.90982%0.815SS**  trans-132.8140.8166.3-67.1-175.4-179.5176.20109.6L63K61-L63 PolarHBondContact O-N 2.88Å
62K28.4Very low27.3Very low210 Ų210140.4 Ų140.491%0.91382%0.817SS**  trans-61125.5-172.3-68.2173.5177.1174.20111.7
63L26.3Very low27.3Very low163 Ų163144.2 Ų144.285%0.85382%0.82SS**  trans-114.6124.8159.6-77.3175000109.3K61 N65K61-L63 PolarHBondContact O-N 2.88Å; L63-N65 PolarHBondContact O-N 3.44Å; L63-N65 VanDerWaalsContact O-N 3.09Å
64L26.8Very low27.3Very low167 Ų167144.7 Ų144.787%0.87482%0.821SS**  trans-79.390.5-176.3-71.5167.6000111L66L64-L66 PolarHBondContact O-N 3.42Å
65N24.9Very low27.4Very low158 Ų158141 Ų14185%0.84581%0.813SS**  trans-73.698.1162.6-87.6-36000109.7L63L63-N65 PolarHBondContact O-N 3.44Å; L63-N65 VanDerWaalsContact O-N 3.09Å
66L25.5Very low27.4Very low161 Ų161145.2 Ų145.284%0.84382%0.822SS**  trans-119.388.5162.7-12780.2000109.8L64L64-L66 PolarHBondContact O-N 3.42Å
67C25.3Very low27.5Very low121 Ų121145.6 Ų145.682%0.81882%0.818SS**  trans-142.575.6168.8-162.60000108.3P69C67-P69 WeakPolarHBondContact O-CD 3.47Å
68S24.6Very low27.6Very low110 Ų110149.1 Ų149.177%0.76983%0.833SS**  trans-67.2123.7-178.5-500000110.9
69P37.1Very low27.6Very low107 Ų107152.4 Ų152.470%0.69584%0.841SS**  trans-86.5-168.3167.537.1-33.3000110.7C67C67-P69 WeakPolarHBondContact O-CD 3.47Å
70L26.3Very low27.3Very low161 Ų161146.8 Ų146.884%0.84383%0.834SS**  trans86.7152.1176-53.4170.6000115.7
71P37.4Very low27.4Very low115 Ų115153.9 Ų153.975%0.74784%0.838SS**  cis-137.8154.3-42.236.4-22.2000114.3
72C23.8Very low27.1Very low129 Ų129152.6 Ų152.687%0.87284%0.836SS**  trans-147.9102.7143.655.50000110.5
73M26Very low27.1Very low181 Ų181148.7 Ų148.789%0.89283%0.829SS**  trans-132.9127.6165.1-81.1-70.6177.800106.7
74I27.7Very low27.2Very low168 Ų168146.8 Ų146.886%0.86283%0.826SS**  trans-129128.5160.2-65.2-176.9000105.2
75P28.4Very low27.2Very low104 Ų104143.8 Ų143.868%0.67582%0.819SS**  trans-97.8164-162.638-36.9000113.6
76L25.8Very low27.3Very low179 Ų179146 Ų14694%0.93782%0.821SS**  trans-132.1138.1144.8-74.5176.8000108.1
77Q27.9Very low27.5Very low184 Ų184144.9 Ų144.986%0.8682%0.821SS**  trans-87.9155-178-73176.5-92.500111.8
78P27.8Very low27.6Very low119 Ų119146.9 Ų146.977%0.77382%0.823SS**  trans-81.8145.8173.233.9-33.9000111.8
79L25.5Very low27.8Very low183 Ų183149.8 Ų149.896%0.95883%0.829SS**  trans-104.2131.4149.7-72.8172000107.1
80G23.2Very low27.2Very low75 Ų75149.2 Ų149.277%0.77383%0.828SS**  trans-110164.9-17700000112.9
81Y26Very low27.1Very low227 Ų227152.2 Ų152.289%0.8983%0.829SS**  trans-150.6175.2153.761.7-93.9000109.2
82E23.5Very low26.9Very low183 Ų183150.9 Ų150.986%0.85582%0.823SS**  trans-90.3171.3-149.5-55.8-166.2129.600116.7
83V29.3Very low27.2Very low128 Ų128152.1 Ų152.178%0.77682%0.816SS**  trans-110.7135.1176.4-174.50000109.3
84P27.3Very low27.3Very low123 Ų123150.6 Ų150.680%0.79981%0.81SS**  trans-109.5153.5145.5-9.829.3000112.9
85S26.9Very low27.2Very low103 Ų103154.6 Ų154.672%0.7282%0.815SS**  trans-93.1174.2-162.8-55.80000115.5
86K28.4Very low27.3Very low204 Ų204158.7 Ų158.789%0.88782%0.822SS**  trans89.5131.2-178-51.6157.5-174.3174.30111.4
87T28.3Very low27.3Very low138 Ų138155.6 Ų155.685%0.84782%0.815SS**  cis-140.3152.117.5-540000111.4
88L28.8Very low27.2Very low164 Ų164152.8 Ų152.886%0.85982%0.816SS**  trans-69.9134.2171.9-70.7165.8000111.7
89L27.7Very low27.2Very low170 Ų170154.9 Ų154.989%0.8982%0.82SS**  trans-168.1139.7147.8-109.8167.8000114.1
90S25.8Very low27.5Very low95 Ų95158.1 Ų158.166%0.66482%0.819SS**  trans21.7116.9161.2-1590000121.5S92S90-S92 PolarHBondContact O-N 3.15Å
91Y24.4Very low27.7Very low224 Ų224159.6 Ų159.688%0.87882%0.824SS**  trans-86.683.9173.4-166.5-89.7000112.7
92S32.1Very low27.7Very low87 Ų87153 Ų15361%0.60883%0.825SS**  trans-160.383170.162.10000114.2S90S90-S92 PolarHBondContact O-N 3.15Å
93E30.8Very low28Very low156 Ų156148.1 Ų148.173%0.72982%0.824SS**  trans-175.799.1146.4-99.6-45.795.100110
94L27.1Very low27.9Very low148 Ų148146.2 Ų146.278%0.77583%0.831SS**  trans-149.481.3169.9-84.4-176.6000111.1
95W27.4Very low27.8Very low253 Ų253144.1 Ų144.196%0.95883%0.831SS**  trans-162.550.4158.3-118.838.7000114.6
96K29.5Very low27.8Very low189 Ų189143.3 Ų143.382%0.82284%0.839SS**  trans-144.984.4172.3-70.2-176.4-173.4163.80114.1
97S26.2Very low27.7Very low114 Ų114137.5 Ų137.580%0.79784%0.837SS**  trans-175.9107154.748.90000113.1
98S25.9Very low27.6Very low125 Ų125135.1 Ų135.187%0.87484%0.84SS**  trans-179.388.8149.8-83.80000110.5
99L27.6Very low27.6Very low163 Ų163131.1 Ų131.185%0.85384%0.839SS**  trans-153.893.7163.4-101.9-178.5000110.6
100R30.9Very low27.5Very low251 Ų251127.2 Ų127.295%0.94784%0.839SS**  trans170118.2137.7-100.9174.2-76.2-136.23.8112.4
101A28.1Very low27.5Very low106 Ų106126.8 Ų126.888%0.87685%0.85SS**  trans-178.2147.4139.800000108.7
102G26.3Very low27.6Very low88 Ų88119.8 Ų119.891%0.90785%0.846SS**  trans90.1129.1177.800000114.6
103G29.3Very low27.2Very low81 Ų81120 Ų12084%0.83586%0.862SS**  trans-164.2178.5179.800000112.6
104G26.4Very low26.9Very low89 Ų89116.6 Ų116.692%0.91887%0.869SS**  trans94.4139.6-173.200000112.9
105G26.6Very low26.7Very low78 Ų78113.6 Ų113.680%0.80487%0.874SS**  cis176.9152.2-8.200000112.6
106G27Very low26.7Very low87 Ų87106.1 Ų106.190%0.89787%0.865SS**  trans74153.3174.900000116.3
107G26.5Very low26.8Very low81 Ų81102.9 Ų102.984%0.83586%0.864SS**  cis173.6144.4-9.700000112.8
108G26.3Very low26.9Very low89 Ų89104 Ų10492%0.91887%0.865SS**  trans78.5153.717500000116.4
109G27.2Very low26.9Very low80 Ų80103.8 Ų103.883%0.82586%0.862SS**  cis174.6145.9-8.500000112.8
110G26.2Very low26.7Very low87 Ų8799.8 Ų99.890%0.89786%0.861SS**  trans77.2151.1-178.900000114.8
111G26.1Very low26.5Very low86 Ų8692.4 Ų92.489%0.88785%0.853SS**  cis124.9132.9500000110.6
112G25.3Very low26.5Very low78 Ų7893.5 Ų93.580%0.80486%0.855SS**  cis-175.8172.7-5.100000110.8
113G24.2Very low26.4Very low91 Ų9192.6 Ų92.694%0.93885%0.846SS**  trans74.9161.9-179.700000115.1
114G24.3Very low26.3Very low85 Ų8595.7 Ų95.788%0.87684%0.842SS**  cis153.5122-5.800000111.4
115G24.2Very low26.2Very low85 Ų8598 Ų9888%0.87684%0.842SS**  trans120121.2171.900000115.8
116A26.7Very low26.2Very low95 Ų95101.9 Ų101.979%0.78584%0.837SS**  trans-94.2162.9150.800000108.3
117P32.4Very low26.4Very low122 Ų122104 Ų10479%0.79283%0.833SS**  -142.1156.79937.6-25000116.1
118V28.2Very low26.4Very low136 Ų136108 Ų10882%0.82484%0.835SS**  trans18.2148.1137.7-166.90000120.4
119C26Very low26.4Very low121 Ų121110.3 Ų110.382%0.81884%0.836SS**  trans-64.9150.2-170.556.90000118
120G22.8Very low26.5Very low79 Ų79110 Ų11081%0.81483%0.832SS**  trans-129.3145.6153.100000110.1
121A26.8Very low26.7Very low96 Ų96112.8 Ų112.879%0.79383%0.832SS**  trans-106.8174-172.600000113.7
122S27.7Very low26.8Very low130 Ų130114.5 Ų114.591%0.90983%0.829SS**  trans79.3145.2-169.583.20000115
123G24.4Very low27Very low69 Ų69117.1 Ų117.171%0.71183%0.833SS**  cis-175.1175-7.100000113.1
124L26.4Very low27.1Very low145 Ų145121.4 Ų121.476%0.75983%0.826SS**  trans67.557.7166.3-54.1179.8000119.4K126L124-K126 PolarHBondContact O-N 3.31Å
125C24.6Very low27.3Very low137 Ų137122 Ų12293%0.92682%0.823SS**  trans-76.1107.7149.1-173.30000109.4
126K26.9Very low27.5Very low161 Ų161124.7 Ų124.770%0.781%0.812SS**  trans-103.1133.3179.3-85.5-179.4170.8171.90112.8L124L124-K126 PolarHBondContact O-N 3.31Å
127T30.5Very low27.7Very low130 Ų130128.7 Ų128.780%0.79882%0.82SS**SBendtrans85.9105.4168.568.90000119.7
128N27.6Very low27.3Very low165 Ų165126.6 Ų126.688%0.88282%0.82SS**  trans6274.3142.7-61.711000119.7
129C26.7Very low27.3Very low139 Ų139128.9 Ų128.994%0.93983%0.827SS**  trans-104.7134.4132.5-169.50000108
130G27.9Very low27.3Very low73 Ų73127.5 Ų127.575%0.75382%0.824SS**  trans-175.278.4-172.100000113.6
131V30.3Very low28.1Very low145 Ų145129.8 Ų129.888%0.87983%0.825SS**  trans-145.1125.3152.8-178.20000105.1
132C29.8Very low28.1Very low123 Ų123130.7 Ų130.783%0.83183%0.825SS**  trans-82.5159.7178.7-65.40000111.4
133C27.6Very low28Very low133 Ų133129.7 Ų129.790%0.89983%0.825SS**  trans-63.9146.4162.1-59.30000109.8
134K27.5Very low28.2Very low181 Ų181134 Ų13479%0.78783%0.831SS**  trans-128.1117.4157.3-161.1-174.2-172.7-136.50108E136K134-E136 WeakPolarHBondContact CE-OE1 3.4Å; K134-E136 IonicContact NZ-OE1 3.68Å; K134-E136 PolarHBondContact NZ-OE1 2.91Å
135A28.7Very low28.8Very low97 Ų97132.8 Ų132.880%0.80283%0.831SS**  trans-147.2126171.500000106.5
136E28.8Very low29Very low141 Ų141131 Ų13166%0.65983%0.827SS**  trans-82.1137.8-174.9-51.7-80.3142.200110K134K134-E136 WeakPolarHBondContact CE-OE1 3.4Å; K134-E136 IonicContact NZ-OE1 3.68Å; K134-E136 PolarHBondContact NZ-OE1 2.91Å
137L29.7Very low28.9Very low180 Ų180127.1 Ų127.194%0.94283%0.832SS**  trans-143113.1148-78.3-176.1000107
138G24.3Very low28.8Very low77 Ų77133 Ų13379%0.79484%0.84SS**  trans-99.1142177.400000111.7
139L28.2Very low28.8Very low185 Ų185131.7 Ų131.797%0.96984%0.837SS**  trans-151.2158.6158.6-103.2169.3000108.6
140A27.1Very low28.7Very low92 Ų92133 Ų13376%0.7683%0.833SS**  trans-83.2165.5-164.700000114.3
141P37.9Very low28.6Very low127 Ų127138.7 Ų138.783%0.82584%0.837SS**  trans-102.5165.1-160.939.3-36.1000115.7
142S26.5Very low28.7Very low115 Ų115137 Ų13780%0.80483%0.829SS**  trans-152.5127.1162.554.80000114.6
143A26.4Very low28.5Very low109 Ų109139.4 Ų139.490%0.90183%0.828SS**  trans63.6154.7153.700000123
144L29.5Very low28.4Very low160 Ų160138.6 Ų138.684%0.83882%0.819SS**  trans-114.3169.3179.1-103.3171.6000108.3
145P37.4Very low28.3Very low119 Ų119138 Ų13877%0.77382%0.823SS**  -159.3152.661.641.4-18.1000122.1
146A29.5Very low28.1Very low100 Ų100140 Ų14083%0.82682%0.82SS**  trans47.8139.7131.600000126.1
147G26Very low28Very low79 Ų79142.2 Ų142.281%0.81483%0.83SS**  trans115.5141.9157.400000114.9
148R27.7Very low27.7Very low254 Ų254137.4 Ų137.496%0.95882%0.816SS**  cis-153.2172.2-6.5-119.6-176.7-173.9179.33108.8
149V27.8Very low27.8Very low137 Ų137141 Ų14183%0.8382%0.823SS**  trans-133.3136.6-175.7175.30000112.5
150I24.2Very low27.7Very low167 Ų167135.5 Ų135.586%0.85681%0.81SS**  trans-144.2149.5166.2-59.2-175.2000111.4
151K25.1Very low27.7Very low191 Ų191139 Ų13983%0.8382%0.815SS**  trans-142.7177.5171.7-86-172.8179.4-179.10107.4
152P33.5Very low27.6Very low110 Ų110138.6 Ų138.671%0.71481%0.813SS**  cis-120.9-132.910.325.91.8000111.5
153Q24.2Very low27.6Very low174 Ų174137.1 Ų137.181%0.81381%0.807SS**  cis-156.9-171.40.5-154.3161.2-18.600111.4
154V26.9Very low27.7Very low116 Ų116138.2 Ų138.270%0.70381%0.809SS**  trans-148.1147.5-172.1177.30000111.6
155I25Very low27.4Very low169 Ų169134.2 Ų134.287%0.86781%0.806SS**  trans-140.7158.5163.8-58.1-175.8000110
156N24.9Very low27Very low138 Ų138134.5 Ų134.574%0.73881%0.811SS**  trans-135.9153.6-165.9-96.4-32.8000115.1
157Q25.3Very low26.8Very low188 Ų188137 Ų13788%0.87981%0.81SS**  trans172.9152.2146.8-95.8157.839.600110.3
158A24.9Very low26.8Very low79 Ų79144.4 Ų144.465%0.65382%0.815SS**  cis93131.76.600000115.6
159V26.8Very low26.5Very low152 Ų152141.1 Ų141.192%0.92180%0.804SS**  cis-153.2156.63.5-172.30000110.7
160G26Very low26.4Very low69 Ų69143.3 Ų143.371%0.71180%0.802SS**  trans168.6146.8159.400000118
161L26.4Very low26.6Very low166 Ų166141.1 Ų141.187%0.86979%0.792SS**  trans-162152.2174.8-111.5173.2000109.5
162P36.4Very low26.6Very low118 Ų118142.4 Ų142.477%0.76679%0.793SS**  -162.2163.884.542.5-21.7000121.2
163A25.4Very low26.4Very low84 Ų84145.6 Ų145.669%0.69480%0.804SS**  trans66.6140.8139.200000126.1
164S28.7Very low26.5Very low132 Ų132143.2 Ų143.292%0.92380%0.797SS**  trans63.6154.5171.773.30000116.6
165G24.3Very low26.4Very low76 Ų76142 Ų14278%0.78479%0.793SS**  cis178.4165.4-7.100000108
166S28.6Very low26.6Very low126 Ų126140.6 Ų140.688%0.88179%0.792SS**  cis-152.1-143.8-1.5-168.90000109.8
167L25.4Very low26.8Very low153 Ų153138.9 Ų138.980%0.80180%0.797SS**  trans-92.2155.4-177.4-63.5165.5000114.5
168Y26Very low26.8Very low234 Ų234140.7 Ų140.792%0.91880%0.798SS**  trans-160.8161.1132-110.4-69.7000114.1
169Y20.9Very low27.9Very low184 Ų184142 Ų14272%0.72280%0.799SS**  trans-85.7160.9-179.9-123.9-117.7000112.1
170F26.1Very low28.6Very low184 Ų184139.7 Ų139.781%0.80779%0.788SS**  -173-176.2111-114.8-86.6000113.5
171N28Very low28.7Very low120 Ų120141.2 Ų141.264%0.64279%0.788SS**  trans-100165.6-154.4-77.8-67.5000116.4
172Y25.2Very low28.6Very low218 Ų218140.4 Ų140.486%0.85578%0.779SS**  trans-46.9144.3152-101.5-116.4000112.7
173L29.9Very low28.2Very low178 Ų178141.1 Ų141.193%0.93278%0.776SS**  trans-152.5167.8130-112.8173.3000109.9
174D25.9Very low28.3Very low124 Ų124143.8 Ų143.866%0.66378%0.778SS**  trans-123.5144.5-156.1-156.3-11.5000113.5
175S25.6Very low28.1Very low89 Ų89142.9 Ų142.962%0.62277%0.772SS**  trans49127.9153-68.20000123.4
176T27.9Very low28.3Very low140 Ų140142.4 Ų142.486%0.85977%0.766SS**  trans72.5103.7136.8550000121.8
177A28.8Very low28.2Very low102 Ų102144.7 Ų144.784%0.84376%0.763SS**  trans-151.1152.3135.700000110.5
178Y26.3Very low28.2Very low227 Ų227144.7 Ų144.789%0.8976%0.763SS**  trans-122170.3172.1-101.1-109.3000106.6
179P48.3Very low28.1Very low105 Ų105142.5 Ų142.568%0.68276%0.758SS**  cis-127-139.1-49.338.9-18.5000107.3
180P41.6Very low28.8Very low104 Ų104139 Ų13968%0.67576%0.758SS**  cis-134.5-177.2-2139.4-20.7000115.8
181S26.4Very low28.8Very low102 Ų102135.6 Ų135.671%0.71376%0.757SS**  trans82.7151.5147.4-51.90000121.9
182E25.8Very low28.7Very low149 Ų149133 Ų13370%0.69676%0.759SS**  trans65.1105.8156-61.4-35.778.700123.8
183L27.8Very low28.7Very low132 Ų132130.3 Ų130.369%0.69176%0.759SS**  90.6131120.5-66.4173.6000122.9
184L26Very low28.5Very low140 Ų140127.9 Ų127.973%0.73375%0.746SS**  trans66.1102.5139-64.6168000121.2
185S26.2Very low28.6Very low114 Ų114129 Ų12980%0.79775%0.752SS**  58.9141.5108.6-570000122
186G26.7Very low28.6Very low65 Ų65128 Ų12867%0.6775%0.748SS**  trans115.478.5172.100000111.6
187H26.8Very low28.5Very low174 Ų174130.2 Ų130.281%0.80675%0.749SS**  59.5148.475.3-81.9-85.3000116
188L25.8Very low29.1Very low154 Ų154129.7 Ų129.781%0.80675%0.745SS**  trans77.2115.2-178.2-47.7-178.6000112.1
189F24.2Very low29.6Very low187 Ų187125 Ų12582%0.8274%0.742SS**  cis55.8151.338.4-71.3-81.1000114.8
190P35.8Very low29Very low111 Ų111124.9 Ų124.972%0.72175%0.75SS**  cis-107.4-178.7-24.530.7-10.8000108.9
191S26.4Very low28.3Very low113 Ų113124.2 Ų124.279%0.7975%0.753SS**  -176.316151.2-68.90000106.7
192G25.3Very low28.4Very low65 Ų65127.4 Ų127.467%0.6776%0.761SS**  cis1301353.100000110.6
193L25Very low29Very low162 Ų162125.4 Ų125.485%0.84877%0.771SS**  trans70.6144.3171.3-49-177.1000115
194L25.4Very low29Very low126 Ų126123.5 Ų123.566%0.6677%0.774SS**  cis-159.7147.6-3.7-117.9165.5000109.9
195N27.7Very low29.5Very low148 Ų148124.5 Ų124.579%0.79177%0.774SS**  trans52.5155146.1-81.33.8000122.2
196A26.2Very low29.8Very low67 Ų67125.3 Ų125.355%0.55478%0.777SS**  cis-159.4158.3-1200000112.3
197Q26.4Very low30.3Very low188 Ų188130.8 Ų130.888%0.87978%0.782SS**  trans50.4115.8143.1-69.7163.2-24.700120.5
198A40.2Very low30.9Very low91 Ų91128.3 Ų128.375%0.75277%0.774SS**  trans-68.5178.6152.700000111.6
199P36.7Very low31.4Very low129 Ų129128.9 Ų128.984%0.83877%0.77SS**  -131.9160.9113.537.4-31.2000113.7
200A36.6Very low32.3Very low101 Ų101127.2 Ų127.284%0.83577%0.77SS**  trans-120.8133.4179.200000112.2
201A27.1Very low32.7Very low91 Ų91128.2 Ų128.275%0.75277%0.768SS**  trans-176.1137.3146.400000107
202L27.4Very low33Very low168 Ų168130.1 Ų130.188%0.8877%0.765SS**  cis-146.7164.445.7-101.990.9000111.9
203A40.1Very low33.7Very low108 Ų108131.6 Ų131.689%0.89376%0.757SS**  trans-83.5124.4171.700000111.9
204A26.8Very low34.5Very low91 Ų91127.6 Ų127.675%0.75275%0.747SS**  trans-131.6150.4171.500000111.4
205H36.6Very low35.2Very low162 Ų162130.7 Ų130.775%0.7576%0.755SS**  trans-62.4145.8-165.1-70.4-96.6000115.1K207H205-K207 PolarHBondContact O-N 2.84Å
206P32.7Very low35.9Very low131 Ų131131.4 Ų131.485%0.85176%0.758SS**THydrogen-bonded Turntrans-7652.4175.135.1-38.3000112.3
207K36.4Very low36.4Very low179 Ų179132.7 Ų132.778%0.77877%0.769SS**THydrogen-bonded Turntrans-135.2-17179.2-92.8-164.7169.9-168.20115H205H205-K207 PolarHBondContact O-N 2.84Å
208L40.5Very low37Very low123 Ų123126.6 Ų126.664%0.64476%0.757SS**SBendtrans-93.4-29.2-179.3-71.2170.4000113.5L210 L211L208-L210 PolarHBondContact O-N 3.44Å; L208-L211 PolarHBondContact O-N 2.84Å
209F36.2Very low36.8Very low165 Ų165131 Ų13172%0.72477%0.767SS**THydrogen-bonded Turntrans-62.2-7.6-178.5-156.5-97.5000115.3N213F209-N213 PolarHBondContact O-ND2 3.04Å
210L42.2Very low36.4Very low153 Ų153129.7 Ų129.780%0.80177%0.767SS**THydrogen-bonded Turntrans-110.12.4177.7-71.9175.5000114.5L208L208-L210 PolarHBondContact O-N 3.44Å
211L44.4Very low36.7Very low132 Ų132129.2 Ų129.269%0.69176%0.763SS**THydrogen-bonded Turntrans-107.4-30.3173.9-113.278.1000113.8L208L208-L211 PolarHBondContact O-N 2.84Å
212E33.9Very low37.3Very low153 Ų153132 Ų13272%0.71577%0.765SS**SBendtrans-78.6-42.8-176.7-145.3159.2153.800111.8A214 K215E212-A214 PolarHBondContact O-N 3.25Å; E212-K215 PolarHBondContact O-N 3.12Å
213N39Very low37.7Very low95 Ų95133.6 Ų133.651%0.50877%0.765SS.*THydrogen-bonded Turntrans-62.1-11.9173.7-67.5-47.4000113.9F209 K215F209-N213 PolarHBondContact O-ND2 3.04Å; N213-K215 VanDerWaalsContact C-N 3.32Å
214A42.9Very low37.1Very low78 Ų78137.9 Ų137.965%0.64576%0.764SS**THydrogen-bonded Turntrans-81.8-3.8177.800000114.2E212E212-A214 PolarHBondContact O-N 3.25Å
215K40Very low37.1Very low192 Ų192139.3 Ų139.384%0.83577%0.765SS**SBendtrans-110.2-4.7179.9-79.6-172172-174.40115.6E212 N213E212-K215 PolarHBondContact O-N 3.12Å; N213-K215 VanDerWaalsContact C-N 3.32Å
216L41.9Very low36.9Very low162 Ų162140 Ų14085%0.84877%0.768SS**SBendtrans-116.48.9-178.4-73.2170.1000114
217A35.8Very low36.7Very low94 Ų94139.6 Ų139.678%0.77777%0.766SS**  trans-10845.2179.300000112.8
218G40.3Very low36.3Very low61 Ų61134.7 Ų134.763%0.62976%0.759SS**  trans-94.9149.9158.500000109.6
219L36Very low36Very low184 Ų184134.8 Ų134.896%0.96377%0.767SS**SBendtrans71.364.8-179.3-50.3177.7000116.7
220A28.6Very low35.9Very low101 Ų101135.3 Ų135.384%0.83577%0.765SS**  trans-164.399.3141.300000109.9
221A43.1Very low35.6Very low90 Ų90132.9 Ų132.974%0.74476%0.759SS**  trans-84.5163.716300000110
222D38.2Very low35.4Very low151 Ų151135.2 Ų135.281%0.80777%0.766SS**SBendtrans69.9144.7177.8-58.6-39.8000118.3
223K35.7Very low35.5Very low201 Ų201137.5 Ų137.587%0.87477%0.773SS**  trans67.451.9170.5-55.8-176.8-175.41760118.1
224F27.6Very low35.9Very low197 Ų197139.5 Ų139.586%0.86478%0.78SS**  trans-111.6131.1137.8-88.8-88.1000109.9H226F224-H226 PolarHBondContact O-N 2.85Å
225P28.2Very low36.4Very low122 Ų122145.4 Ų145.479%0.79279%0.785SS**PPolyproline II helixtrans-72.3121.817828.8-32.9000110.3
226H30.6Very low37.4Very low175 Ų175139 Ų13981%0.8176%0.76SS**PPolyproline II helixtrans-57.9133.7166.4-76.9-77.9000109.8F224 A228F224-H226 PolarHBondContact O-N 2.85Å; H226-A228 PolarHBondContact O-N 3.4Å; H226-A228 VanDerWaalsContact O-N 3.11Å
227P30.5Very low38.4Very low123 Ų123133.9 Ų133.980%0.79974%0.736SS**PPolyproline II helixtrans-59.611916026.4-32000107.4
228A27.5Very low39.8Very low76 Ų76132.6 Ų132.663%0.62873%0.726SS**PPolyproline II helixtrans-57.3147-166.100000112.7H226 Y230H226-A228 PolarHBondContact O-N 3.4Å; H226-A228 VanDerWaalsContact O-N 3.11Å; A228-Y230 PolarHBondContact O-N 3.03Å; A228-Y230 VanDerWaalsContact O-N 3.11Å
229P33.9Very low41Very low125 Ų125134 Ų13481%0.81272%0.723SS**PPolyproline II helixtrans-57.2120.7175.224.4-33.8000109.8
230Y34.2Very low42.6Very low176 Ų176125.2 Ų125.269%0.6968%0.677SS**  trans-42.5122.3-169.5-80.1-81.2000113.1A228 H232 E362A228-Y230 PolarHBondContact O-N 3.03Å; A228-Y230 VanDerWaalsContact O-N 3.11Å; Y230-H232 PolarHBondContact O-N 3.04Å; Y230-E362 HydrophobicContact CE2-CG 4.43Å
231P35Very low44.6Very low103 Ų103123.6 Ų123.667%0.66965%0.653SS**  trans-66.3101.7178.527-33.5000108.9K233P231-K233 PolarHBondContact O-N 3.22Å
232H40.2Very low45.9Very low181 Ų181124.8 Ų124.884%0.83864%0.643SS**SBendtrans-77.131.1-168.8-142.6-48.1000113.5Y230Y230-H232 PolarHBondContact O-N 3.04Å
233K36.4Very low47.2Very low200 Ų200118.4 Ų118.487%0.8761%0.609SS**  trans-139.742.5-178.7-72.2-173.4175.5178.60111.9P231 R235P231-K233 PolarHBondContact O-N 3.22Å; K233-R235 PolarHBondContact O-N 3.06Å; K233-R235 VanDerWaalsContact O-N 3.1Å
234E47.7Very low49Very low138 Ų138110.8 Ų110.865%0.64558%0.578SS**PPolyproline II helixtrans-56.9117.8157.4-73.9-172147.200108.3L236E234-L236 PolarHBondContact O-N 2.87Å
235R53.3Low51.1Low201 Ų201109 Ų10976%0.75857%0.57SS**PPolyproline II helixtrans-57.5135.8171.2-170.5179.6-176.1172.64.3108K233 E241K233-R235 PolarHBondContact O-N 3.06Å; K233-R235 VanDerWaalsContact O-N 3.1Å; R235-E241 WeakPolarHBondContact CG-OE1 3.32Å; R235-E241 IonicContact NE-OE2 3.39Å; R235-E241 PolarHBondContact NE-OE2 3.41Å; R235-E241 IonicContact NH2-OE2 3.92Å
236L60.8Low53Low59 Ų59106.8 Ų106.831%0.30955%0.549SS..PPolyproline II helixtrans-66.9146.8177.3-65.195000108E234 A238 L240 E241 L244 Y356E234-L236 PolarHBondContact O-N 2.87Å; L236-A238 PolarHBondContact O-N 3.5Å; L236-L240 HydrophobicContact CB-CD2 4.39Å; L236-L240 HydrophobicContact CD2-CD2 3.77Å; L236-L240 HydrophobicContact CD2-CG 4.19Å; L236-E241 HydrophobicContact CB-CG 3.63Å; L236-E241 PolarHBondContact N-OE1 2.93Å; L236-L244 HydrophobicContact CD2-CD1 4Å; L236-Y356 HydrophobicContact CD2-CE1 3.98Å; L236-Y356 HydrophobicContact CG-CE1 4.22Å
237P64.1Low54.6Low54 Ų5498.8 Ų98.835%0.35151%0.512SS..PPolyproline II helixtrans-51.6133175.3-27.934.9000110.3P239 L240 E241 Y356P237-P239 VanDerWaalsContact C-CD 3.41Å; P237-P239 VanDerWaalsContact C-N 3.3Å; P237-P239 VanDerWaalsContact O-N 3.14Å; P237-L240 HydrophobicContact CB-CB 4.47Å; P237-L240 WeakPolarHBondContact O-CA 3.5Å; P237-L240 VanDerWaalsContact O-CB 3.3Å; P237-L240 WeakPolarHBondContact O-CB 3.5Å; P237-L240 PolarHBondContact O-N 2.9Å; P237-E241 PolarHBondContact O-N 3.05Å; P237-Y356 HydrophobicContact CG-CD2 3.76Å; P237-Y356 HydrophobicContact CG-CE2 4.3Å; P237-Y356 HydrophobicContact CG-CG 4.22Å
238A63.8Low56.3Low67 Ų6796.1 Ų96.155%0.55450%0.496SS*.Hα-helixtrans-52.2-38.7-17300000114.5L236 L240 E241 Q242L236-A238 PolarHBondContact O-N 3.5Å; A238-L240 PolarHBondContact O-N 3.13Å; A238-E241 PolarHBondContact O-N 3.2Å; A238-Q242 WeakPolarHBondContact O-CB 3.36Å; A238-Q242 PolarHBondContact O-N 2.97Å
239P65.1Low57.9Low89 Ų8995.1 Ų95.158%0.57849%0.488SS*.Hα-helixtrans-61.2-30.5172.8-24.735.6000113.9P237 V243P237-P239 VanDerWaalsContact C-CD 3.41Å; P237-P239 VanDerWaalsContact C-N 3.3Å; P237-P239 VanDerWaalsContact O-N 3.14Å; P239-V243 WeakPolarHBondContact O-CB 3.42Å; P239-V243 WeakPolarHBondContact O-CG2 3.39Å; P239-V243 PolarHBondContact O-N 3.33Å; P239-V243 VanDerWaalsContact O-N 3.09Å
240L69.8Low58.9Low0 Ų093.9 Ų93.90%047%0.474CS..Hα-helixtrans-78.4-37.3174.5-178.862.5000111.8L236 P237 A238 L244 I350 R351 A354 Y356L236-L240 HydrophobicContact CB-CD2 4.39Å; L236-L240 HydrophobicContact CD2-CD2 3.77Å; L236-L240 HydrophobicContact CD2-CG 4.19Å; P237-L240 HydrophobicContact CB-CB 4.47Å; P237-L240 WeakPolarHBondContact O-CA 3.5Å; P237-L240 VanDerWaalsContact O-CB 3.3Å; P237-L240 WeakPolarHBondContact O-CB 3.5Å; P237-L240 PolarHBondContact O-N 2.9Å; A238-L240 PolarHBondContact O-N 3.13Å; L240-L244 HydrophobicContact CD1-CD1 3.93Å; L240-L244 HydrophobicContact CD1-CG 3.96Å; L240-L244 HydrophobicContact CG-CD1 3.86Å; L240-L244 HydrophobicContact CG-CG 4.33Å; L240-L244 VanDerWaalsContact O-CB 3.23Å; L240-L244 WeakPolarHBondContact O-CB 3.35Å; L240-L244 WeakPolarHBondContact O-CD1 3.48Å; L240-L244 WeakPolarHBondContact O-CG 3.27Å; L240-L244 PolarHBondContact O-N 3.49Å; L240-I350 HydrophobicContact CD1-CB 4.38Å; L240-I350 HydrophobicContact CD1-CG2 3.63Å; L240-R351 HydrophobicContact CD1-CG 4.1Å; L240-R351 HydrophobicContact CD2-CG 3.86Å; L240-A354 HydrophobicContact CB-CB 4.07Å; L240-A354 HydrophobicContact CD1-CB 4.27Å; L240-Y356 HydrophobicContact CD2-CD1 3.28Å; L240-Y356 HydrophobicContact CD2-CE1 3.99Å; L240-Y356 HydrophobicContact CD2-CG 3.78Å
241E71.9Confident59.7Low67 Ų6788.1 Ų88.131%0.31346%0.458SS..Hα-helixtrans-61.2-47.3172.5-66.6-167.2151.900110.9R235 L236 P237 A238 L244 K245R235-E241 WeakPolarHBondContact CG-OE1 3.32Å; R235-E241 IonicContact NE-OE2 3.39Å; R235-E241 PolarHBondContact NE-OE2 3.41Å; R235-E241 IonicContact NH2-OE2 3.92Å; L236-E241 HydrophobicContact CB-CG 3.63Å; L236-E241 PolarHBondContact N-OE1 2.93Å; P237-E241 PolarHBondContact O-N 3.05Å; A238-E241 PolarHBondContact O-N 3.2Å; E241-L244 PolarHBondContact O-N 2.99Å; E241-K245 WeakPolarHBondContact O-CB 3.42Å; E241-K245 PolarHBondContact O-N 2.8Å
242Q68.8Low60.7Low116 Ų11686.5 Ų86.554%0.54245%0.453SS..Hα-helixtrans-59.9-54.8176.6174.9172.1-1000111.9A238 L244 K245 E246A238-Q242 WeakPolarHBondContact O-CB 3.36Å; A238-Q242 PolarHBondContact O-N 2.97Å; Q242-L244 VanDerWaalsContact C-N 3.27Å; Q242-L244 PolarHBondContact O-N 3.2Å; Q242-K245 WeakPolarHBondContact O-CA 3.25Å; Q242-K245 WeakPolarHBondContact O-CB 3.22Å; Q242-K245 PolarHBondContact O-N 3.29Å; Q242-E246 HydrophobicContact CG-CG 4.39Å; Q242-E246 WeakPolarHBondContact CG-OE1 3.41Å; Q242-E246 PolarHBondContact NE2-OE1 2.88Å; Q242-E246 WeakPolarHBondContact O-CG 3.45Å; Q242-E246 PolarHBondContact O-N 3.42Å
243V66.6Low61Low16 Ų1685.7 Ų85.710%0.09745%0.449CS..Hα-helixtrans-65.9-31.1-177.2176.20000111.3P239 N247 I350P239-V243 WeakPolarHBondContact O-CB 3.42Å; P239-V243 WeakPolarHBondContact O-CG2 3.39Å; P239-V243 PolarHBondContact O-N 3.33Å; P239-V243 VanDerWaalsContact O-N 3.09Å; V243-N247 WeakPolarHBondContact CG1-ND2 3.47Å; V243-N247 WeakPolarHBondContact O-CB 3.31Å; V243-N247 PolarHBondContact O-N 3.27Å; V243-N247 PolarHBondContact O-ND2 2.73Å; V243-I350 HydrophobicContact CB-CG2 4.19Å; V243-I350 HydrophobicContact CG1-CD1 4.06Å; V243-I350 HydrophobicContact CG1-CG1 4.29Å; V243-I350 HydrophobicContact CG1-CG2 3.61Å
244L72.3Confident61.8Low42 Ų4286.8 Ų86.822%0.2245%0.448CS..Hα-helixtrans-67.8-36.8170.9-72.2171.2000112.4L236 L240 E241 Q242 S248 N347L236-L244 HydrophobicContact CD2-CD1 4Å; L240-L244 HydrophobicContact CD1-CD1 3.93Å; L240-L244 HydrophobicContact CD1-CG 3.96Å; L240-L244 HydrophobicContact CG-CD1 3.86Å; L240-L244 HydrophobicContact CG-CG 4.33Å; L240-L244 VanDerWaalsContact O-CB 3.23Å; L240-L244 WeakPolarHBondContact O-CB 3.35Å; L240-L244 WeakPolarHBondContact O-CD1 3.48Å; L240-L244 WeakPolarHBondContact O-CG 3.27Å; L240-L244 PolarHBondContact O-N 3.49Å; E241-L244 PolarHBondContact O-N 2.99Å; Q242-L244 VanDerWaalsContact C-N 3.27Å; Q242-L244 PolarHBondContact O-N 3.2Å; L244-S248 WeakPolarHBondContact O-CB 3.33Å; L244-S248 PolarHBondContact O-N 3.07Å; L244-N347 HydrophobicContact CD2-CB 3.74Å; L244-N347 VanDerWaalsContact CD2-CG 3.42Å
245K73.5Confident61.5Low159 Ų15983.4 Ų83.469%0.69145%0.45SS*.Hα-helixtrans-66.1-48.5176.1-170.4179.6179.3-174.90111.3E241 Q242 N247 S248 A249E241-K245 WeakPolarHBondContact O-CB 3.42Å; E241-K245 PolarHBondContact O-N 2.8Å; Q242-K245 WeakPolarHBondContact O-CA 3.25Å; Q242-K245 WeakPolarHBondContact O-CB 3.22Å; Q242-K245 PolarHBondContact O-N 3.29Å; K245-N247 PolarHBondContact O-N 2.97Å; K245-S248 WeakPolarHBondContact O-CB 3.37Å; K245-S248 PolarHBondContact O-N 3.33Å; K245-S248 VanDerWaalsContact O-N 3.1Å; K245-S248 PolarHBondContact O-OG 2.81Å; K245-A249 PolarHBondContact O-N 3.12Å
246E67.2Low60.4Low75 Ų7576.6 Ų76.635%0.3544%0.443SS..Hα-helixtrans-56.9-48.4175-69.8166.5-176.300111.6Q242 S248 A249 L250Q242-E246 HydrophobicContact CG-CG 4.39Å; Q242-E246 WeakPolarHBondContact CG-OE1 3.41Å; Q242-E246 PolarHBondContact NE2-OE1 2.88Å; Q242-E246 WeakPolarHBondContact O-CG 3.45Å; Q242-E246 PolarHBondContact O-N 3.42Å; E246-S248 VanDerWaalsContact C-N 3.27Å; E246-S248 PolarHBondContact O-N 3.26Å; E246-A249 PolarHBondContact O-N 3.21Å; E246-L250 WeakPolarHBondContact O-CG 3.49Å; E246-L250 PolarHBondContact O-N 3.17Å; E246-L250 VanDerWaalsContact O-N 3.07Å
247N64.4Low59.3Low8 Ų880.5 Ų80.54%0.04347%0.469CS..Hα-helixtrans-68.5-24177.7-78-82000113.2V243 K245 T251 L346V243-N247 WeakPolarHBondContact CG1-ND2 3.47Å; V243-N247 WeakPolarHBondContact O-CB 3.31Å; V243-N247 PolarHBondContact O-N 3.27Å; V243-N247 PolarHBondContact O-ND2 2.73Å; K245-N247 PolarHBondContact O-N 2.97Å; N247-T251 WeakPolarHBondContact O-CG2 3.49Å; N247-T251 PolarHBondContact O-N 2.86Å; N247-T251 PolarHBondContact O-OG1 3.3Å; N247-L346 HydrophobicContact CB-CD2 4.5Å; N247-L346 WeakPolarHBondContact OD1-CD2 3.32Å
248S65.5Low57.9Low66 Ų6686.3 Ų86.346%0.46249%0.488SS..Hα-helixtrans-72.3-41.6172.778.70000111.7L244 K245 E246 T251 A252L244-S248 WeakPolarHBondContact O-CB 3.33Å; L244-S248 PolarHBondContact O-N 3.07Å; K245-S248 WeakPolarHBondContact O-CB 3.37Å; K245-S248 PolarHBondContact O-N 3.33Å; K245-S248 VanDerWaalsContact O-N 3.1Å; K245-S248 PolarHBondContact O-OG 2.81Å; E246-S248 VanDerWaalsContact C-N 3.27Å; E246-S248 PolarHBondContact O-N 3.26Å; S248-T251 PolarHBondContact O-N 3.03Å; S248-T251 PolarHBondContact O-OG1 3.34Å; S248-A252 PolarHBondContact O-N 3.29Å
249A61.1Low56.5Low56 Ų5686.3 Ų86.346%0.46350%0.495SS..Hα-helixtrans-60.9-46.7174.800000111.1K245 E246 T251 A252 E253K245-A249 PolarHBondContact O-N 3.12Å; E246-A249 PolarHBondContact O-N 3.21Å; A249-T251 PolarHBondContact O-N 3.17Å; A249-A252 WeakPolarHBondContact O-CB 3.42Å; A249-A252 PolarHBondContact O-N 3.03Å; A249-E253 PolarHBondContact O-N 3.25Å
250L54.7Low55.4Low99 Ų9991 Ų9152%0.51851%0.509SS..Hα-helixtrans-60-14.1174.3-68.5171.3000114.2E246E246-L250 WeakPolarHBondContact O-CG 3.49Å; E246-L250 PolarHBondContact O-N 3.17Å; E246-L250 VanDerWaalsContact O-N 3.07Å
251T51.1Low54Low55 Ų5596.5 Ų96.534%0.33755%0.547SS..Hα-helixtrans-101-9.3172.258.20000115N247 S248 A249 H331N247-T251 WeakPolarHBondContact O-CG2 3.49Å; N247-T251 PolarHBondContact O-N 2.86Å; N247-T251 PolarHBondContact O-OG1 3.3Å; S248-T251 PolarHBondContact O-N 3.03Å; S248-T251 PolarHBondContact O-OG1 3.34Å; A249-T251 PolarHBondContact O-N 3.17Å; T251-H331 VanDerWaalsContact CG2-ND1 3.29Å; T251-H331 WeakPolarHBondContact CG2-ND1 3.28Å
252A56Low52.5Low69 Ų69103 Ų10357%0.5757%0.574SS**Hα-helixtrans-76.3-42.5171.400000111S248 A249 R254S248-A252 PolarHBondContact O-N 3.29Å; A249-A252 WeakPolarHBondContact O-CB 3.42Å; A249-A252 PolarHBondContact O-N 3.03Å; A252-R254 PolarHBondContact O-N 2.93Å; A252-R254 VanDerWaalsContact O-N 3.14Å
253E47.9Very low51.4Low163 Ų163105 Ų10576%0.76259%0.588SS**THydrogen-bonded Turntrans-59.7-23-178.1-65.2-60.4101.100114.9A249A249-E253 PolarHBondContact O-N 3.25Å
254R52.6Low50.5Low224 Ų224110.4 Ų110.485%0.84562%0.623SS**THydrogen-bonded Turntrans-12692.2-174.8-77.8-172.7170-170.2-4.2113.1A252A252-R254 PolarHBondContact O-N 2.93Å; A252-R254 VanDerWaalsContact O-N 3.14Å
255G40.8Very low49Very low67 Ų67112 Ų11269%0.69165%0.65SS**THydrogen-bonded Turntrans86.541.9159.900000114.9V257G255-V257 VanDerWaalsContact C-N 3.27Å; G255-V257 PolarHBondContact O-N 2.7Å
256G30.6Very low47.3Very low58 Ų58108.3 Ų108.360%0.59866%0.657SS**  trans-62.685.1164.800000111.8K258G256-K258 VanDerWaalsContact C-N 3.27Å; G256-K258 PolarHBondContact O-N 2.88Å
257V37.3Very low46.2Very low141 Ų141109.3 Ų109.386%0.85567%0.673SS**  trans-62.994.3163.4-179.90000106.8G255 G259G255-V257 VanDerWaalsContact C-N 3.27Å; G255-V257 PolarHBondContact O-N 2.7Å; V257-G259 PolarHBondContact O-N 2.86Å
258K35.1Very low45.7Very low176 Ų176113.9 Ų113.977%0.76571%0.711SS**  trans-56.5108.6179-71-179.8-179.8175.20108.1G256 H260G256-K258 VanDerWaalsContact C-N 3.27Å; G256-K258 PolarHBondContact O-N 2.88Å; K258-H260 PolarHBondContact O-CD2 3.01Å; K258-H260 VanDerWaalsContact O-CD2 3.27Å; K258-H260 PolarHBondContact O-N 3.04Å
259G34Very low45.3Very low67 Ų67117.1 Ų117.169%0.69172%0.723SS**  trans-65.5104.4170.900000108.1V257 S261V257-G259 PolarHBondContact O-N 2.86Å; G259-S261 PolarHBondContact O-N 3.06Å
260H43.1Very low45.2Very low187 Ų187118.5 Ų118.587%0.86674%0.743SS**  trans-68.982.5175.2-78.9-99.7000109.7K258K258-H260 PolarHBondContact O-CD2 3.01Å; K258-H260 VanDerWaalsContact O-CD2 3.27Å; K258-H260 PolarHBondContact O-N 3.04Å
261S40.6Very low45.2Very low115 Ų115122.5 Ų122.580%0.80476%0.756SS**  trans-133.542.117169.70000111G259G259-S261 PolarHBondContact O-N 3.06Å
262K40.1Very low45.7Very low203 Ų203124.2 Ų124.288%0.88377%0.769SS**  trans-115.790.7155.1-169.9-180-176.6-176.60107.9
263L44.1Very low46.4Very low158 Ų158129 Ų12983%0.82778%0.776SS**  trans-120.6144.4157.3-77.8175.5000107.2
264P48.5Very low48.2Very low130 Ų130125.8 Ų125.884%0.84477%0.765SS**  trans-68.4144.6174.631-34.2000109.9
265G40.9Very low49.7Very low77 Ų77118.5 Ų118.579%0.79474%0.739SS**  trans-176.334.3-173.500000113.3S267G265-S267 PolarHBondContact O-N 3.48Å
266G37.7Very low51.8Low81 Ų81118.8 Ų118.884%0.83573%0.727SS**  trans-80.7108.1169.800000109.8
267S44.8Very low54.6Low96 Ų96116 Ų11667%0.67170%0.699SS**  trans-75.8142.4152.8-58.50000108G265 D269G265-S267 PolarHBondContact O-N 3.48Å; S267-D269 PolarHBondContact O-N 3.09Å
268A54.3Low56.9Low103 Ų103118 Ų11885%0.85170%0.699SS**SBendtrans-67.2-22.7-177.600000113.1G270A268-G270 PolarHBondContact O-N 3.35Å
269D56.6Low59.4Low135 Ų135114 Ų11472%0.72269%0.689SS**SBendtrans-84.5104.9-175.9-46.3-81.4000111.8S267 K271S267-D269 PolarHBondContact O-N 3.09Å; D269-K271 PolarHBondContact O-N 3.4Å
270G57.7Low61.9Low85 Ų85112.9 Ų112.988%0.87667%0.67SS**  trans-69.136.5-168.800000118.1A268A268-G270 PolarHBondContact O-N 3.35Å
271K54.8Low64Low182 Ų182106.5 Ų106.579%0.79166%0.655SS**  trans-103.1112.2178-162168.6-171.5172.20111.5D269 K273D269-K271 PolarHBondContact O-N 3.4Å; K271-K273 PolarHBondContact O-N 3.36Å; K271-K273 VanDerWaalsContact O-N 3.14Å
272P61.3Low66.2Low92 Ų92106.4 Ų106.460%0.59764%0.64SS**  trans-65.4116.8-179.825.7-33.2000110.9N274P272-N274 PolarHBondContact O-N 3.08Å
273K72.6Confident68.5Low169 Ų169100.8 Ų100.874%0.73562%0.622SS**  trans-69.1101.2175.8-71.5-176.6179.5176.20109.5K271 F275K271-K273 PolarHBondContact O-N 3.36Å; K271-K273 VanDerWaalsContact O-N 3.14Å; K273-F275 HydrophobicContact CB-CE2 4.19Å; K273-F275 HydrophobicContact CB-CZ 4.48Å; K273-F275 WeakPolarHBondContact O-CD2 3.48Å; K273-F275 WeakPolarHBondContact O-CE2 3.44Å
274N84.4Confident70.7Confident96 Ų9695.3 Ų95.351%0.51359%0.592SS.*  trans-91.1128.7-177.4-84.7-23.5000110.8P272 V283P272-N274 PolarHBondContact O-N 3.08Å; N274-V283 HydrophobicContact CB-CG1 3.55Å
275F84.4Confident72.6Confident71 Ų7194.7 Ų94.731%0.31158%0.582SS.*EExtended strand (participates in β ladder)trans-109.2110.7-177.4-62.7-93.7000109.6K273 F284 A286 H287 L290K273-F275 HydrophobicContact CB-CE2 4.19Å; K273-F275 HydrophobicContact CB-CZ 4.48Å; K273-F275 WeakPolarHBondContact O-CD2 3.48Å; K273-F275 WeakPolarHBondContact O-CE2 3.44Å; F275-F284 PolarHBondContact N-O 3.16Å; F275-F284 PolarHBondContact O-N 3.26Å; F275-A286 VanDerWaalsContact CD2-C 3.41Å; F275-H287 HydrophobicContact CD1-CB 3.99Å; F275-H287 AromaticContact CD1-CD2 3.92Å; F275-H287 HydrophobicContact CD2-CB 4.49Å; F275-H287 VanDerWaalsContact CD2-N 3.31Å; F275-H287 HydrophobicContact CE1-CB 3.73Å; F275-H287 HydrophobicContact CE2-CB 4.26Å; F275-H287 HydrophobicContact CG-CB 4.36Å; F275-H287 HydrophobicContact CZ-CB 3.88Å; F275-L290 HydrophobicContact CB-CB 4.28Å; F275-L290 HydrophobicContact CB-CD2 4Å
276T84.4Confident74.9Confident72 Ų7292 Ų9244%0.44255%0.552SS.*EExtended strand (participates in β ladder)trans-90.7137.5-177.4-54.40000111.3E278 K282 V283T276-E278 PolarHBondContact O-N 2.81Å; T276-K282 CarbonylContact C-O 3.58Å; T276-K282 WeakPolarHBondContact CA-O 3.35Å; T276-V283 HydrophobicContact CG2-CG2 4.44Å
277C89.3Confident77.2Confident1 Ų193.5 Ų93.51%0.00754%0.537CS..EExtended strand (participates in β ladder)trans-84.4108170.1-177.20000110.7V279 C280 G281 K282 F284 L290 H293 H297C277-V279 PolarHBondContact O-N 2.87Å; C277-V279 VanDerWaalsContact O-N 3.15Å; C277-C280 PolarHBondContact O-N 2.97Å; C277-C280 VanDerWaalsContact O-N 3.11Å; C277-G281 WeakPolarHBondContact O-CA 3.42Å; C277-G281 PolarHBondContact O-N 3.02Å; C277-K282 HydrophobicContact CB-CB 4.47Å; C277-K282 PolarHBondContact N-O 3.32Å; C277-F284 HydrophobicContact CB-CE2 4.05Å; C277-L290 HydrophobicContact CB-CD1 3.49Å; C277-L290 VanDerWaalsContact CB-CD1 3.49Å; C277-H293 VanDerWaalsContact SG-CD2 3.56Å; C277-H297 PolarHBondContact SG-NE2 3.24Å
278E85.9Confident79.1Confident182 Ų18296 Ų9685%0.8553%0.533SS*.THydrogen-bonded Turntrans-46.9-42.8177.7-66.6149.1-160.200113T276 C280T276-E278 PolarHBondContact O-N 2.81Å; E278-C280 VanDerWaalsContact C-N 3.28Å; E278-C280 PolarHBondContact O-N 2.88Å
279V87.5Confident80.6Confident91 Ų9192.2 Ų92.255%0.55250%0.498SS*.THydrogen-bonded Turntrans-70.6-16.9-174.1-171.80000113.8C277 H297C277-V279 PolarHBondContact O-N 2.87Å; C277-V279 VanDerWaalsContact O-N 3.15Å; V279-H297 HydrophobicContact CG1-CB 4Å
280C87.6Confident82.1Confident45 Ų4586.9 Ų86.930%0.30447%0.469SS..THydrogen-bonded Turntrans-154.320.8178.267.90000116.4C277 E278 K282 H293 H297C277-C280 PolarHBondContact O-N 2.97Å; C277-C280 VanDerWaalsContact O-N 3.11Å; E278-C280 VanDerWaalsContact C-N 3.28Å; E278-C280 PolarHBondContact O-N 2.88Å; C280-K282 PolarHBondContact O-N 3.03Å; C280-H293 PolarHBondContact SG-NE2 2.39Å; C280-H293 VanDerWaalsContact SG-NE2 3.43Å; C280-H297 WeakPolarHBondContact CB-CE1 3Å; C280-H297 PolarHBondContact SG-CE1 2.91Å; C280-H297 PolarHBondContact SG-NE2 3.13Å
281G86Confident83.4Confident53 Ų5386.6 Ų86.655%0.54645%0.451SS..THydrogen-bonded Turntrans648.2176.200000116.2C277 V283C277-G281 WeakPolarHBondContact O-CA 3.42Å; C277-G281 PolarHBondContact O-N 3.02Å; G281-V283 PolarHBondContact O-N 3.34Å
282K87.8Confident84.9Confident113 Ų11383.6 Ų83.649%0.49143%0.434SS..EExtended strand (participates in β ladder)trans-79.2121.2-173.8-75.2178.3-171.3163.30111.7T276 C277 C280 F284T276-K282 CarbonylContact C-O 3.58Å; T276-K282 WeakPolarHBondContact CA-O 3.35Å; C277-K282 HydrophobicContact CB-CB 4.47Å; C277-K282 PolarHBondContact N-O 3.32Å; C280-K282 PolarHBondContact O-N 3.03Å; K282-F284 HydrophobicContact CB-CE2 3.77Å; K282-F284 HydrophobicContact CB-CZ 3.95Å; K282-F284 VanDerWaalsContact O-CD2 3.28Å; K282-F284 WeakPolarHBondContact O-CD2 3.45Å; K282-F284 VanDerWaalsContact O-CE2 3.25Å; K282-F284 WeakPolarHBondContact O-CE2 3.35Å
283V88.8Confident86.1Confident84 Ų8480.2 Ų80.251%0.50941%0.41SS..EExtended strand (participates in β ladder)trans-85.6134.9178.4-171.70000110.6N274 T276 G281N274-V283 HydrophobicContact CB-CG1 3.55Å; T276-V283 HydrophobicContact CG2-CG2 4.44Å; G281-V283 PolarHBondContact O-N 3.34Å
284F89.5Confident86.7Confident43 Ų4375.2 Ų75.219%0.18939%0.39CS..EExtended strand (participates in β ladder)trans-124.8139.1177-62.1-83.1000110.7F275 C277 K282 A286 N289 L290 H293F275-F284 PolarHBondContact N-O 3.16Å; F275-F284 PolarHBondContact O-N 3.26Å; C277-F284 HydrophobicContact CB-CE2 4.05Å; K282-F284 HydrophobicContact CB-CE2 3.77Å; K282-F284 HydrophobicContact CB-CZ 3.95Å; K282-F284 VanDerWaalsContact O-CD2 3.28Å; K282-F284 WeakPolarHBondContact O-CD2 3.45Å; K282-F284 VanDerWaalsContact O-CE2 3.25Å; K282-F284 WeakPolarHBondContact O-CE2 3.35Å; F284-A286 PolarHBondContact O-N 2.95Å; F284-A286 VanDerWaalsContact O-N 3.14Å; F284-N289 HydrophobicContact CB-CB 3.94Å; F284-N289 HydrophobicContact CD1-CB 3.89Å; F284-N289 HydrophobicContact CG-CB 4.18Å; F284-L290 HydrophobicContact CD2-CB 4.1Å; F284-L290 HydrophobicContact CD2-CD1 4.01Å; F284-L290 HydrophobicContact CE2-CD1 4.13Å; F284-L290 HydrophobicContact CG-CB 4.49Å; F284-H293 HydrophobicContact CE1-CB 4.17Å; F284-H293 HydrophobicContact CE2-CB 3.99Å; F284-H293 AromaticContact CE2-CD2 3.42Å; F284-H293 VanDerWaalsContact CE2-CD2 3.42Å; F284-H293 WeakPolarHBondContact CE2-CD2 3.27Å; F284-H293 AromaticContact CE2-CG 3.76Å; F284-H293 HydrophobicContact CZ-CB 3.61Å; F284-H293 AromaticContact CZ-CD2 3.43Å; F284-H293 VanDerWaalsContact CZ-CD2 3.43Å; F284-H293 WeakPolarHBondContact CZ-CD2 3.44Å; F284-H293 AromaticContact CZ-CG 3.35Å; F284-H293 AromaticContact CZ-ND1 3.9Å
285N88.6Confident86.9Confident118 Ų11871.6 Ų71.663%0.63137%0.372SS*.SBendtrans-73.82.9-179.968.4-20000115.2N289N285-N289 PolarHBondContact OD1-ND2 3.16Å
286A89.3Confident87.1Confident19 Ų1971.1 Ų71.116%0.15738%0.375CS..SBendtrans-162.5144.9-179.500000111.6F275 F284 Y288 N289 L290F275-A286 VanDerWaalsContact CD2-C 3.41Å; F284-A286 PolarHBondContact O-N 2.95Å; F284-A286 VanDerWaalsContact O-N 3.14Å; A286-Y288 VanDerWaalsContact C-N 3.34Å; A286-Y288 HydrophobicContact CB-CD1 3.58Å; A286-Y288 HydrophobicContact CB-CE1 3.35Å; A286-Y288 PolarHBondContact O-N 3.48Å; A286-N289 WeakPolarHBondContact O-CB 3.25Å; A286-N289 PolarHBondContact O-N 3.37Å; A286-L290 PolarHBondContact O-N 2.93Å
287H85.2Confident87.1Confident114 Ų11471 Ų7153%0.52837%0.369SS..Hα-helixtrans-56.2-44.1-179.6-173.5-117000112.9F275 N289 L290 T291F275-H287 HydrophobicContact CD1-CB 3.99Å; F275-H287 AromaticContact CD1-CD2 3.92Å; F275-H287 HydrophobicContact CD2-CB 4.49Å; F275-H287 VanDerWaalsContact CD2-N 3.31Å; F275-H287 HydrophobicContact CE1-CB 3.73Å; F275-H287 HydrophobicContact CE2-CB 4.26Å; F275-H287 HydrophobicContact CG-CB 4.36Å; F275-H287 HydrophobicContact CZ-CB 3.88Å; H287-N289 PolarHBondContact O-N 2.89Å; H287-N289 VanDerWaalsContact O-N 3.11Å; H287-L290 WeakPolarHBondContact O-CA 3.22Å; H287-L290 WeakPolarHBondContact O-CB 3.38Å; H287-L290 PolarHBondContact O-N 3.02Å; H287-T291 PolarHBondContact O-N 3.44Å; H287-T291 PolarHBondContact O-OG1 3.49Å
288Y84.9Confident86.9Confident148 Ų14875.8 Ų75.858%0.5840%0.399SS*.Hα-helixtrans-60.4-26.2179.278.8-96.1000113.2A286 R292A286-Y288 VanDerWaalsContact C-N 3.34Å; A286-Y288 HydrophobicContact CB-CD1 3.58Å; A286-Y288 HydrophobicContact CB-CE1 3.35Å; A286-Y288 PolarHBondContact O-N 3.48Å; Y288-R292 WeakPolarHBondContact O-CB 3.49Å; Y288-R292 PolarHBondContact O-N 3.37Å
289N86.6Confident86.8Confident23 Ų2368.9 Ų68.912%0.12338%0.377CS..Hα-helixtrans-73.2-38.5174.6-80.9-40.8000111.4F284 N285 A286 H287 R292 H293F284-N289 HydrophobicContact CB-CB 3.94Å; F284-N289 HydrophobicContact CD1-CB 3.89Å; F284-N289 HydrophobicContact CG-CB 4.18Å; N285-N289 PolarHBondContact OD1-ND2 3.16Å; A286-N289 WeakPolarHBondContact O-CB 3.25Å; A286-N289 PolarHBondContact O-N 3.37Å; H287-N289 PolarHBondContact O-N 2.89Å; H287-N289 VanDerWaalsContact O-N 3.11Å; N289-R292 PolarHBondContact OD1-NH2 3.41Å; N289-H293 WeakPolarHBondContact O-CB 3.16Å; N289-H293 PolarHBondContact O-N 3.26Å
290L86.7Confident86.7Confident24 Ų2466.5 Ų66.513%0.12637%0.366CS..Hα-helixtrans-65.6-48.6171.4176.959.2000111.2F275 C277 F284 A286 H287 R292 H293 M294F275-L290 HydrophobicContact CB-CB 4.28Å; F275-L290 HydrophobicContact CB-CD2 4Å; C277-L290 HydrophobicContact CB-CD1 3.49Å; C277-L290 VanDerWaalsContact CB-CD1 3.49Å; F284-L290 HydrophobicContact CD2-CB 4.1Å; F284-L290 HydrophobicContact CD2-CD1 4.01Å; F284-L290 HydrophobicContact CE2-CD1 4.13Å; F284-L290 HydrophobicContact CG-CB 4.49Å; A286-L290 PolarHBondContact O-N 2.93Å; H287-L290 WeakPolarHBondContact O-CA 3.22Å; H287-L290 WeakPolarHBondContact O-CB 3.38Å; H287-L290 PolarHBondContact O-N 3.02Å; L290-R292 VanDerWaalsContact C-N 3.27Å; L290-R292 PolarHBondContact O-N 2.83Å; L290-H293 CarbonylContact O-C 3.6Å; L290-H293 WeakPolarHBondContact O-CA 3.29Å; L290-H293 VanDerWaalsContact O-CB 3.3Å; L290-H293 WeakPolarHBondContact O-CB 3.42Å; L290-H293 PolarHBondContact O-N 3.16Å; L290-M294 HydrophobicContact CD1-SD 3.77Å; L290-M294 HydrophobicContact CG-SD 4.39Å; L290-M294 WeakPolarHBondContact O-CG 3.38Å; L290-M294 PolarHBondContact O-N 2.78Å
291T85.1Confident86.7Confident78 Ų7871.5 Ų71.548%0.47938%0.379SS..Hα-helixtrans-56.4-42.4176.3-38.70000111.6H287 H293 M294 P295H287-T291 PolarHBondContact O-N 3.44Å; H287-T291 PolarHBondContact O-OG1 3.49Å; T291-H293 PolarHBondContact O-N 3.46Å; T291-M294 PolarHBondContact O-N 3.07Å; T291-P295 VanDerWaalsContact O-CD 3.31Å; T291-P295 WeakPolarHBondContact O-CD 3.28Å
292R86.6Confident86.7Confident120 Ų12073.1 Ų73.145%0.45338%0.38SS..Hα-helixtrans-70.5-15.8175.3-175169.467.3161.3-1.1113.6Y288 N289 L290 Q314Y288-R292 WeakPolarHBondContact O-CB 3.49Å; Y288-R292 PolarHBondContact O-N 3.37Å; N289-R292 PolarHBondContact OD1-NH2 3.41Å; L290-R292 VanDerWaalsContact C-N 3.27Å; L290-R292 PolarHBondContact O-N 2.83Å; R292-Q314 HydrophobicContact CG-CG 4.06Å
293H86.9Confident86.7Confident20 Ų2071.5 Ų71.59%0.09337%0.373CS..Hα-helixtrans-88.8-34.5175177.456.3000113C277 C280 F284 N289 L290 T291 P295 V296 H297C277-H293 VanDerWaalsContact SG-CD2 3.56Å; C280-H293 PolarHBondContact SG-NE2 2.39Å; C280-H293 VanDerWaalsContact SG-NE2 3.43Å; F284-H293 HydrophobicContact CE1-CB 4.17Å; F284-H293 HydrophobicContact CE2-CB 3.99Å; F284-H293 AromaticContact CE2-CD2 3.42Å; F284-H293 VanDerWaalsContact CE2-CD2 3.42Å; F284-H293 WeakPolarHBondContact CE2-CD2 3.27Å; F284-H293 AromaticContact CE2-CG 3.76Å; F284-H293 HydrophobicContact CZ-CB 3.61Å; F284-H293 AromaticContact CZ-CD2 3.43Å; F284-H293 VanDerWaalsContact CZ-CD2 3.43Å; F284-H293 WeakPolarHBondContact CZ-CD2 3.44Å; F284-H293 AromaticContact CZ-CG 3.35Å; F284-H293 AromaticContact CZ-ND1 3.9Å; N289-H293 WeakPolarHBondContact O-CB 3.16Å; N289-H293 PolarHBondContact O-N 3.26Å; L290-H293 CarbonylContact O-C 3.6Å; L290-H293 WeakPolarHBondContact O-CA 3.29Å; L290-H293 VanDerWaalsContact O-CB 3.3Å; L290-H293 WeakPolarHBondContact O-CB 3.42Å; L290-H293 PolarHBondContact O-N 3.16Å; T291-H293 PolarHBondContact O-N 3.46Å; H293-P295 VanDerWaalsContact C-CD 3.42Å; H293-P295 VanDerWaalsContact C-N 3.33Å; H293-P295 VanDerWaalsContact O-N 3.13Å; H293-V296 WeakPolarHBondContact O-CA 3.1Å; H293-V296 WeakPolarHBondContact O-CB 3.48Å; H293-V296 WeakPolarHBondContact O-CG2 3.26Å; H293-V296 PolarHBondContact O-N 2.91Å; H293-H297 AromaticContact CD2-NE2 2.98Å; H293-H297 PolarHBondContact CD2-NE2 2.67Å; H293-H297 AromaticContact CE1-NE2 3.2Å; H293-H297 PolarHBondContact CE1-NE2 3.2Å; H293-H297 AromaticContact NE2-CE1 3.78Å; H293-H297 AromaticContact NE2-NE2 2.28Å; H293-H297 PolarHBondContact NE2-NE2 3.07Å
294M86Confident86.8Confident64 Ų6471.3 Ų71.332%0.31537%0.372SS..G310 helixtrans-51.7-36.8-176.7-59.1-50.4-79.100115.6L290 T291 V296 H297 T298L290-M294 HydrophobicContact CD1-SD 3.77Å; L290-M294 HydrophobicContact CG-SD 4.39Å; L290-M294 WeakPolarHBondContact O-CG 3.38Å; L290-M294 PolarHBondContact O-N 2.78Å; T291-M294 PolarHBondContact O-N 3.07Å; M294-V296 PolarHBondContact O-N 3.15Å; M294-H297 PolarHBondContact O-N 3.27Å; M294-T298 PolarHBondContact O-N 3.28Å
295P88.4Confident86.9Confident21 Ų2169.4 Ų69.414%0.13636%0.364CS..G310 helixtrans-59.5-9.8171.8-26.636.4000115.4T291 H293 A300 R313T291-P295 VanDerWaalsContact O-CD 3.31Å; T291-P295 WeakPolarHBondContact O-CD 3.28Å; H293-P295 VanDerWaalsContact C-CD 3.42Å; H293-P295 VanDerWaalsContact C-N 3.33Å; H293-P295 VanDerWaalsContact O-N 3.13Å; P295-A300 HydrophobicContact CB-CB 4.4Å; P295-R313 HydrophobicContact CB-CB 4.3Å; P295-R313 HydrophobicContact CB-CG 3.96Å; P295-R313 VanDerWaalsContact O-CZ 3.26Å; P295-R313 PolarHBondContact O-NE 2.87Å; P295-R313 PolarHBondContact O-NH2 3.04Å; P295-R313 VanDerWaalsContact O-NH2 3.11Å
296V87.1Confident86.9Confident60 Ų6074 Ų7436%0.36438%0.378SS..G310 helixtrans-65.8-42.6169.8177.20000111.4H293 M294 R313H293-V296 WeakPolarHBondContact O-CA 3.1Å; H293-V296 WeakPolarHBondContact O-CB 3.48Å; H293-V296 WeakPolarHBondContact O-CG2 3.26Å; H293-V296 PolarHBondContact O-N 2.91Å; M294-V296 PolarHBondContact O-N 3.15Å; V296-R313 VanDerWaalsContact CA-CZ 3.49Å; V296-R313 PolarHBondContact O-NH2 3.04Å
297H86.1Confident86.9Confident69 Ų6978.2 Ų78.232%0.31940%0.402SS..THydrogen-bonded Turntrans-86.4-49.8-174.2-57.4-51.9000112.3C277 V279 C280 H293 M294 G299C277-H297 PolarHBondContact SG-NE2 3.24Å; V279-H297 HydrophobicContact CG1-CB 4Å; C280-H297 WeakPolarHBondContact CB-CE1 3Å; C280-H297 PolarHBondContact SG-CE1 2.91Å; C280-H297 PolarHBondContact SG-NE2 3.13Å; H293-H297 AromaticContact CD2-NE2 2.98Å; H293-H297 PolarHBondContact CD2-NE2 2.67Å; H293-H297 AromaticContact CE1-NE2 3.2Å; H293-H297 PolarHBondContact CE1-NE2 3.2Å; H293-H297 AromaticContact NE2-CE1 3.78Å; H293-H297 AromaticContact NE2-NE2 2.28Å; H293-H297 PolarHBondContact NE2-NE2 3.07Å; M294-H297 PolarHBondContact O-N 3.27Å; H297-G299 PolarHBondContact O-N 2.99Å
298T84Confident87.1Confident103 Ų10374.9 Ų74.963%0.63239%0.39SS*.SBendtrans-68.7-4.117961.40000113.8M294 A300M294-T298 PolarHBondContact O-N 3.28Å; T298-A300 PolarHBondContact O-N 3.32Å; T298-A300 VanDerWaalsContact OG1-CB 3.32Å; T298-A300 WeakPolarHBondContact OG1-CB 3.46Å; T298-A300 PolarHBondContact OG1-N 3.32Å
299G84.4Confident87.2Confident37 Ų3770.5 Ų70.538%0.38139%0.39SS..  trans68.1-7.3-173.300000114.8H297H297-G299 PolarHBondContact O-N 2.99Å
300A84.9Confident87.3Confident41 Ų4175 Ų7534%0.33941%0.409SS..  trans-55.6143.6-169.300000113.3P295 T298 R313P295-A300 HydrophobicContact CB-CB 4.4Å; T298-A300 PolarHBondContact O-N 3.32Å; T298-A300 VanDerWaalsContact OG1-CB 3.32Å; T298-A300 WeakPolarHBondContact OG1-CB 3.46Å; T298-A300 PolarHBondContact OG1-N 3.32Å; A300-R313 WeakPolarHBondContact O-CG 3.49Å
301R87.3Confident87.4Confident149 Ų14974.4 Ų74.456%0.56241%0.408SS*.  trans-138.169.3-175.3-77.3167.5173.3-135.67111.2F303 G311 F312R301-F303 PolarHBondContact O-N 3.29Å; R301-F303 VanDerWaalsContact O-N 3.08Å; R301-G311 VanDerWaalsContact CD-O 3.3Å; R301-G311 WeakPolarHBondContact CD-O 3.49Å; R301-G311 PolarHBondContact NH1-O 3.01Å; R301-F312 CarbonylContact C-O 3.48Å; R301-F312 VanDerWaalsContact CA-O 3.28Å; R301-F312 WeakPolarHBondContact CA-O 3.16Å
302P85.9Confident87.6Confident88 Ų8873 Ų7357%0.57140%0.395SS*.  trans-61.5-23.2-171.9-22.634.4000114.3
303F89.3Confident87.7Confident78 Ų7871.8 Ų71.834%0.34239%0.391SS..EExtended strand (participates in β ladder)trans-102.490.3-172.3-55.4-78.9000110.5R301 F312 Q314 A315 L318R301-F303 PolarHBondContact O-N 3.29Å; R301-F303 VanDerWaalsContact O-N 3.08Å; F303-F312 HydrophobicContact CB-CB 4.28Å; F303-F312 PolarHBondContact N-O 2.81Å; F303-F312 VanDerWaalsContact N-O 3.11Å; F303-F312 WeakPolarHBondContact O-CB 3.11Å; F303-F312 PolarHBondContact O-N 3.18Å; F303-Q314 VanDerWaalsContact CD2-C 3.42Å; F303-Q314 VanDerWaalsContact CD2-CA 3.49Å; F303-A315 HydrophobicContact CD1-CB 3.78Å; F303-A315 HydrophobicContact CE1-CB 3.67Å; F303-A315 HydrophobicContact CG-CB 4.36Å; F303-A315 HydrophobicContact CZ-CB 4.15Å; F303-L318 HydrophobicContact CB-CB 4.03Å; F303-L318 HydrophobicContact CB-CD2 3.87Å
304V89.8Confident87.7Confident81 Ų8173.6 Ų73.649%0.49140%0.399SS..EExtended strand (participates in β ladder)trans-91.1136.4-177.6-174.60000112.3K306V304-K306 PolarHBondContact O-N 3.37Å
305C91.4Very high87.7Confident2 Ų273.1 Ų73.11%0.01441%0.406CS..  trans-80.6111.6172.2-170.30000111.3V307 C308 G309 K310 F312 L318 H325C305-V307 PolarHBondContact O-N 2.58Å; C305-V307 VanDerWaalsContact O-N 3.16Å; C305-C308 PolarHBondContact O-N 3.34Å; C305-G309 WeakPolarHBondContact O-CA 3.43Å; C305-G309 PolarHBondContact O-N 3.01Å; C305-K310 WeakPolarHBondContact CB-O 3.33Å; C305-K310 PolarHBondContact N-O 3.04Å; C305-F312 HydrophobicContact CB-CE2 4.31Å; C305-L318 HydrophobicContact CB-CD1 3.55Å; C305-H325 PolarHBondContact SG-NE2 2.83Å
306K89.6Confident87.6Confident215 Ų21575.7 Ų75.794%0.93542%0.424SS*.THydrogen-bonded Turntrans-54.6-32.2178-65.9-167175.8-169.70113.8V304V304-K306 PolarHBondContact O-N 3.37Å
307V88.8Confident87.7Confident108 Ų10874.2 Ų74.266%0.65542%0.415SS*.THydrogen-bonded Turntrans-74.2-27.6-175.9-175.40000113.4C305 H325C305-V307 PolarHBondContact O-N 2.58Å; C305-V307 VanDerWaalsContact O-N 3.16Å; V307-H325 HydrophobicContact CG1-CB 4.28Å
308C88.5Confident87.8Confident43 Ų4372.1 Ų72.129%0.29141%0.406SS..THydrogen-bonded Turntrans-145.113-171.770.60000115.2C305 K310 H321 H325C305-C308 PolarHBondContact O-N 3.34Å; C308-K310 PolarHBondContact O-N 3.27Å; C308-H321 PolarHBondContact SG-NE2 3.27Å; C308-H325 WeakPolarHBondContact CB-CE1 3.42Å; C308-H325 PolarHBondContact SG-CE1 3.18Å; C308-H325 PolarHBondContact SG-NE2 2.99Å
309G87.1Confident87.9Confident56 Ų5671.1 Ų71.158%0.57740%0.403SS*.  trans64.90.2179.700000115.8C305 G311C305-G309 WeakPolarHBondContact O-CA 3.43Å; C305-G309 PolarHBondContact O-N 3.01Å; G309-G311 PolarHBondContact O-N 3.2Å; G309-G311 VanDerWaalsContact O-N 3.15Å
310K88.8Confident87.9Confident119 Ų11975 Ų7552%0.51741%0.406SS..  trans-71.9113.1-175.2-69.8176.6-174.2170.90110.4C305 C308 F312C305-K310 WeakPolarHBondContact CB-O 3.33Å; C305-K310 PolarHBondContact N-O 3.04Å; C308-K310 PolarHBondContact O-N 3.27Å; K310-F312 HydrophobicContact CB-CE2 3.82Å; K310-F312 HydrophobicContact CB-CZ 4.18Å; K310-F312 WeakPolarHBondContact O-CD2 3.42Å; K310-F312 WeakPolarHBondContact O-CE2 3.42Å
311G89.5Confident88Confident10 Ų1073.9 Ų73.910%0.10339%0.394CS..EExtended strand (participates in β ladder)trans-80139.7173.400000113.6R301 G309R301-G311 VanDerWaalsContact CD-O 3.3Å; R301-G311 WeakPolarHBondContact CD-O 3.49Å; R301-G311 PolarHBondContact NH1-O 3.01Å; G309-G311 PolarHBondContact O-N 3.2Å; G309-G311 VanDerWaalsContact O-N 3.15Å
312F89.3Confident87.9Confident48 Ų4872.7 Ų72.721%0.21139%0.392CS..EExtended strand (participates in β ladder)trans-125.8155.1-179.5-65-92.2000112.2R301 F303 C305 K310 L318 H321R301-F312 CarbonylContact C-O 3.48Å; R301-F312 VanDerWaalsContact CA-O 3.28Å; R301-F312 WeakPolarHBondContact CA-O 3.16Å; F303-F312 HydrophobicContact CB-CB 4.28Å; F303-F312 PolarHBondContact N-O 2.81Å; F303-F312 VanDerWaalsContact N-O 3.11Å; F303-F312 WeakPolarHBondContact O-CB 3.11Å; F303-F312 PolarHBondContact O-N 3.18Å; C305-F312 HydrophobicContact CB-CE2 4.31Å; K310-F312 HydrophobicContact CB-CE2 3.82Å; K310-F312 HydrophobicContact CB-CZ 4.18Å; K310-F312 WeakPolarHBondContact O-CD2 3.42Å; K310-F312 WeakPolarHBondContact O-CE2 3.42Å; F312-L318 HydrophobicContact CB-CB 4.28Å; F312-L318 HydrophobicContact CD2-CB 4.1Å; F312-L318 HydrophobicContact CD2-CD1 3.9Å; F312-L318 HydrophobicContact CE2-CD1 4.14Å; F312-L318 HydrophobicContact CG-CB 4.29Å; F312-H321 HydrophobicContact CE1-CB 4.03Å; F312-H321 HydrophobicContact CE2-CB 4.02Å; F312-H321 AromaticContact CE2-CD2 3.25Å; F312-H321 WeakPolarHBondContact CE2-CD2 3.41Å; F312-H321 AromaticContact CE2-CG 3.72Å; F312-H321 HydrophobicContact CZ-CB 3.57Å; F312-H321 AromaticContact CZ-CD2 3.3Å; F312-H321 WeakPolarHBondContact CZ-CD2 3.17Å; F312-H321 AromaticContact CZ-CG 3.3Å; F312-H321 AromaticContact CZ-ND1 4Å; F312-H321 AromaticContact CZ-NE2 3.98Å
313R88.2Confident87.9Confident96 Ų9670.5 Ų70.536%0.36238%0.375SS..SBendtrans-81.8-15.4179.7-72.6173.2171.5158.1-7114.4P295 V296 A300P295-R313 HydrophobicContact CB-CB 4.3Å; P295-R313 HydrophobicContact CB-CG 3.96Å; P295-R313 VanDerWaalsContact O-CZ 3.26Å; P295-R313 PolarHBondContact O-NE 2.87Å; P295-R313 PolarHBondContact O-NH2 3.04Å; P295-R313 VanDerWaalsContact O-NH2 3.11Å; V296-R313 VanDerWaalsContact CA-CZ 3.49Å; V296-R313 PolarHBondContact O-NH2 3.04Å; A300-R313 WeakPolarHBondContact O-CG 3.49Å
314Q88.2Confident87.6Confident58 Ų5870.7 Ų70.727%0.27138%0.379SS..SBendtrans-146.1138-174.9-59.4176.9600111.3R292 F303 S316 T317 L318R292-Q314 HydrophobicContact CG-CG 4.06Å; F303-Q314 VanDerWaalsContact CD2-C 3.42Å; F303-Q314 VanDerWaalsContact CD2-CA 3.49Å; Q314-S316 VanDerWaalsContact C-N 3.3Å; Q314-S316 PolarHBondContact O-N 2.96Å; Q314-T317 HydrophobicContact CB-CG2 4.11Å; Q314-T317 PolarHBondContact N-OG1 3.09Å; Q314-T317 PolarHBondContact O-N 3.18Å; Q314-T317 PolarHBondContact O-OG1 3.08Å; Q314-L318 PolarHBondContact O-N 3.11Å; Q314-L318 VanDerWaalsContact O-N 3.15Å
315A86.1Confident87.3Confident54 Ų5470.4 Ų70.445%0.44637%0.372SS..Hα-helixtrans-52.9-43.3176.800000113.3F303 T317 L318 C319F303-A315 HydrophobicContact CD1-CB 3.78Å; F303-A315 HydrophobicContact CE1-CB 3.67Å; F303-A315 HydrophobicContact CG-CB 4.36Å; F303-A315 HydrophobicContact CZ-CB 4.15Å; A315-T317 VanDerWaalsContact C-N 3.28Å; A315-T317 PolarHBondContact O-N 2.81Å; A315-L318 PolarHBondContact O-N 3.45Å; A315-L318 VanDerWaalsContact O-N 3.16Å; A315-C319 WeakPolarHBondContact O-CB 3.39Å; A315-C319 PolarHBondContact O-N 3.03Å
316S86.6Confident86.8Confident74 Ų7474 Ų7452%0.51740%0.395SS..Hα-helixtrans-59.9-35.3176.5580000113.2Q314 R320Q314-S316 VanDerWaalsContact C-N 3.3Å; Q314-S316 PolarHBondContact O-N 2.96Å; S316-R320 WeakPolarHBondContact O-CB 3.42Å; S316-R320 PolarHBondContact O-N 2.8Å; S316-R320 VanDerWaalsContact O-N 3.08Å
317T87.3Confident86.3Confident30 Ų3069.8 Ų69.818%0.18438%0.378CS..Hα-helixtrans-75.4-31.8177.162.80000112.8Q314 A315 H321Q314-T317 HydrophobicContact CB-CG2 4.11Å; Q314-T317 PolarHBondContact N-OG1 3.09Å; Q314-T317 PolarHBondContact O-N 3.18Å; Q314-T317 PolarHBondContact O-OG1 3.08Å; A315-T317 VanDerWaalsContact C-N 3.28Å; A315-T317 PolarHBondContact O-N 2.81Å; T317-H321 WeakPolarHBondContact O-CB 3.46Å; T317-H321 PolarHBondContact O-N 2.79Å; T317-H321 VanDerWaalsContact O-N 3.16Å
318L89.2Confident85.8Confident24 Ų2470 Ų7013%0.12637%0.372CS..Hα-helixtrans-69.3-45.6169.3170.860.7000111.4F303 C305 F312 Q314 A315 R320 H321 K322F303-L318 HydrophobicContact CB-CB 4.03Å; F303-L318 HydrophobicContact CB-CD2 3.87Å; C305-L318 HydrophobicContact CB-CD1 3.55Å; F312-L318 HydrophobicContact CB-CB 4.28Å; F312-L318 HydrophobicContact CD2-CB 4.1Å; F312-L318 HydrophobicContact CD2-CD1 3.9Å; F312-L318 HydrophobicContact CE2-CD1 4.14Å; F312-L318 HydrophobicContact CG-CB 4.29Å; Q314-L318 PolarHBondContact O-N 3.11Å; Q314-L318 VanDerWaalsContact O-N 3.15Å; A315-L318 PolarHBondContact O-N 3.45Å; A315-L318 VanDerWaalsContact O-N 3.16Å; L318-R320 PolarHBondContact O-N 3.01Å; L318-H321 WeakPolarHBondContact O-CA 3.46Å; L318-H321 WeakPolarHBondContact O-CB 3.34Å; L318-H321 PolarHBondContact O-N 2.97Å; L318-K322 PolarHBondContact O-N 3.22Å
319C85.9Confident85.4Confident83 Ų8373.1 Ų73.156%0.56138%0.38SS*.Hα-helixtrans-57.1-51.9178.6-173.40000110.9A315 H321 K322A315-C319 WeakPolarHBondContact O-CB 3.39Å; A315-C319 PolarHBondContact O-N 3.03Å; C319-H321 PolarHBondContact O-N 2.89Å; C319-K322 WeakPolarHBondContact O-CB 3.44Å; C319-K322 PolarHBondContact O-N 3.1Å
320R84.7Confident85.1Confident119 Ų11974.5 Ų74.545%0.44938%0.379SS..Hα-helixtrans-60.9-25.4173.6-173.1178.764.6-149.1-3.9113.7S316 L318S316-R320 WeakPolarHBondContact O-CB 3.42Å; S316-R320 PolarHBondContact O-N 2.8Å; S316-R320 VanDerWaalsContact O-N 3.08Å; L318-R320 PolarHBondContact O-N 3.01Å
321H87.6Confident84.9Confident17 Ų1770.6 Ų70.68%0.07936%0.363CS..Hα-helixtrans-74.5-33.1174.4171.851.1000112.6C308 F312 T317 L318 C319 I323 I324 H325C308-H321 PolarHBondContact SG-NE2 3.27Å; F312-H321 HydrophobicContact CE1-CB 4.03Å; F312-H321 HydrophobicContact CE2-CB 4.02Å; F312-H321 AromaticContact CE2-CD2 3.25Å; F312-H321 WeakPolarHBondContact CE2-CD2 3.41Å; F312-H321 AromaticContact CE2-CG 3.72Å; F312-H321 HydrophobicContact CZ-CB 3.57Å; F312-H321 AromaticContact CZ-CD2 3.3Å; F312-H321 WeakPolarHBondContact CZ-CD2 3.17Å; F312-H321 AromaticContact CZ-CG 3.3Å; F312-H321 AromaticContact CZ-ND1 4Å; F312-H321 AromaticContact CZ-NE2 3.98Å; T317-H321 WeakPolarHBondContact O-CB 3.46Å; T317-H321 PolarHBondContact O-N 2.79Å; T317-H321 VanDerWaalsContact O-N 3.16Å; L318-H321 WeakPolarHBondContact O-CA 3.46Å; L318-H321 WeakPolarHBondContact O-CB 3.34Å; L318-H321 PolarHBondContact O-N 2.97Å; C319-H321 PolarHBondContact O-N 2.89Å; H321-I323 PolarHBondContact O-N 3.14Å; H321-I324 WeakPolarHBondContact O-CB 3.46Å; H321-I324 PolarHBondContact O-N 2.91Å; H321-H325 AromaticContact CD2-NE2 3.2Å; H321-H325 PolarHBondContact CD2-NE2 3.42Å; H321-H325 AromaticContact CE1-NE2 3.07Å; H321-H325 PolarHBondContact CE1-NE2 3.47Å; H321-H325 AromaticContact NE2-NE2 2.39Å; H321-H325 PolarHBondContact NE2-NE2 2.8Å
322K85.2Confident84.7Confident124 Ų12477 Ų7754%0.53939%0.388SS..Hα-helixtrans-55.8-33.9178.2-68.7-175.9176.5-175.20112.9L318 C319 I324 H325 T326L318-K322 PolarHBondContact O-N 3.22Å; C319-K322 WeakPolarHBondContact O-CB 3.44Å; C319-K322 PolarHBondContact O-N 3.1Å; K322-I324 PolarHBondContact O-N 3.3Å; K322-I324 VanDerWaalsContact O-N 3.09Å; K322-H325 WeakPolarHBondContact O-CB 3.23Å; K322-H325 PolarHBondContact O-N 3.47Å; K322-T326 PolarHBondContact O-N 3.29Å
323I84.5Confident84.6Confident42 Ų4274.8 Ų74.822%0.21538%0.378CS..Hα-helixtrans-55.5-25.9175.8-51.4175.8000112.4H321 H325 T326 Q327 E328 N341H321-I323 PolarHBondContact O-N 3.14Å; I323-H325 VanDerWaalsContact C-N 3.32Å; I323-T326 WeakPolarHBondContact CA-OG1 3.33Å; I323-T326 PolarHBondContact O-OG1 3.26Å; I323-Q327 PolarHBondContact O-N 2.76Å; I323-E328 HydrophobicContact CG2-CB 4.28Å; I323-E328 VanDerWaalsContact CG2-O 3.23Å; I323-E328 WeakPolarHBondContact CG2-O 3.42Å; I323-N341 HydrophobicContact CG2-CB 3.95Å
324I83.8Confident84.3Confident82 Ų8275.1 Ų75.142%0.42139%0.387SS..Hα-helixtrans-73.4-25.6176.8-56.3-178.2000111.6H321 K322 Q327H321-I324 WeakPolarHBondContact O-CB 3.46Å; H321-I324 PolarHBondContact O-N 2.91Å; K322-I324 PolarHBondContact O-N 3.3Å; K322-I324 VanDerWaalsContact O-N 3.09Å; I324-Q327 PolarHBondContact O-NE2 2.84Å
325H83.9Confident84.1Confident74 Ų7477.1 Ų77.134%0.34340%0.397SS..Hα-helixtrans-86.2-36.2177.3-59.8-57.6000112.2C305 V307 C308 H321 K322 I323 Q327C305-H325 PolarHBondContact SG-NE2 2.83Å; V307-H325 HydrophobicContact CG1-CB 4.28Å; C308-H325 WeakPolarHBondContact CB-CE1 3.42Å; C308-H325 PolarHBondContact SG-CE1 3.18Å; C308-H325 PolarHBondContact SG-NE2 2.99Å; H321-H325 AromaticContact CD2-NE2 3.2Å; H321-H325 PolarHBondContact CD2-NE2 3.42Å; H321-H325 AromaticContact CE1-NE2 3.07Å; H321-H325 PolarHBondContact CE1-NE2 3.47Å; H321-H325 AromaticContact NE2-NE2 2.39Å; H321-H325 PolarHBondContact NE2-NE2 2.8Å; K322-H325 WeakPolarHBondContact O-CB 3.23Å; K322-H325 PolarHBondContact O-N 3.47Å; I323-H325 VanDerWaalsContact C-N 3.32Å; H325-Q327 PolarHBondContact O-N 3.08Å
326T80.8Confident84.1Confident79 Ų7976.6 Ų76.649%0.48539%0.389SS..Hα-helixtrans-75.2-11.9174.5590000113.2K322 I323 E328K322-T326 PolarHBondContact O-N 3.29Å; I323-T326 WeakPolarHBondContact CA-OG1 3.33Å; I323-T326 PolarHBondContact O-OG1 3.26Å; T326-E328 WeakPolarHBondContact CB-OE2 3.25Å; T326-E328 PolarHBondContact O-N 2.55Å; T326-E328 WeakPolarHBondContact OG1-CG 3.3Å; T326-E328 PolarHBondContact OG1-OE2 3.16Å
327Q77.5Confident83.9Confident126 Ų12675.8 Ų75.859%0.58939%0.393SS*.  trans57.29.7-173.4-66-65.5-25.900115I323 I324 H325I323-Q327 PolarHBondContact O-N 2.76Å; I324-Q327 PolarHBondContact O-NE2 2.84Å; H325-Q327 PolarHBondContact O-N 3.08Å
328E78.4Confident83.9Confident112 Ų11280.1 Ų80.152%0.52341%0.409SS..  trans-61.4139.5179-69.2167.3122.800110.9I323 T326I323-E328 HydrophobicContact CG2-CB 4.28Å; I323-E328 VanDerWaalsContact CG2-O 3.23Å; I323-E328 WeakPolarHBondContact CG2-O 3.42Å; T326-E328 WeakPolarHBondContact CB-OE2 3.25Å; T326-E328 PolarHBondContact O-N 2.55Å; T326-E328 WeakPolarHBondContact OG1-CG 3.3Å; T326-E328 PolarHBondContact OG1-OE2 3.16Å
329K81.7Confident83.8Confident108 Ų10880.7 Ų80.747%0.4742%0.417SS..  trans-129.275.2179.3-70.3159.6-172.3166.50108.5H331 A339 F340K329-H331 PolarHBondContact O-N 3.32Å; K329-H331 VanDerWaalsContact O-N 3.14Å; K329-A339 HydrophobicContact CB-CB 3.46Å; K329-A339 VanDerWaalsContact CB-CB 3.46Å; K329-A339 HydrophobicContact CD-CB 4.14Å; K329-A339 HydrophobicContact CG-CB 4.35Å; K329-F340 CarbonylContact C-O 3.48Å; K329-F340 VanDerWaalsContact C-O 3.24Å; K329-F340 WeakPolarHBondContact CA-O 3.39Å
330P80.4Confident83.7Confident85 Ų8579 Ų7955%0.55240%0.4SS*.  trans-63-23.8-170.1-23.735.4000113.8
331H84.2Confident83.7Confident38 Ų3876.2 Ų76.218%0.17639%0.394CS..EExtended strand (participates in β ladder)trans-101.592.6-172.6-50.6-79.2000110T251 K329 F340 R342 S343 L346T251-H331 VanDerWaalsContact CG2-ND1 3.29Å; T251-H331 WeakPolarHBondContact CG2-ND1 3.28Å; K329-H331 PolarHBondContact O-N 3.32Å; K329-H331 VanDerWaalsContact O-N 3.14Å; H331-F340 HydrophobicContact CB-CB 4.45Å; H331-F340 PolarHBondContact N-O 3.28Å; H331-F340 VanDerWaalsContact N-O 3.09Å; H331-F340 PolarHBondContact O-N 3.39Å; H331-R342 VanDerWaalsContact CD2-CA 3.42Å; H331-R342 WeakPolarHBondContact CD2-CA 3.43Å; H331-R342 PolarHBondContact CD2-N 3Å; H331-S343 PolarHBondContact CD2-N 3.23Å; H331-S343 PolarHBondContact NE2-N 3.23Å; H331-S343 VanDerWaalsContact NE2-N 3.19Å; H331-L346 HydrophobicContact CB-CB 4.16Å; H331-L346 HydrophobicContact CB-CD2 3.71Å
332K85.3Confident83.5Confident143 Ų14380.2 Ų80.262%0.62241%0.409SS*.EExtended strand (participates in β ladder)trans-84.3146176.5-64-176.4179-179.50111.2A339 L346K332-A339 HydrophobicContact CG-CB 3.98Å; K332-L346 WeakPolarHBondContact O-CD2 3.3Å
333C87.5Confident83.4Confident2 Ų276.8 Ų76.81%0.01440%0.4CS..  trans-94110.6172-174.40000110.2Q335 C336 G337 K338 F340 L346 H353C333-Q335 PolarHBondContact O-N 3.15Å; C333-Q335 VanDerWaalsContact O-N 3.17Å; C333-C336 PolarHBondContact O-N 2.99Å; C333-C336 VanDerWaalsContact O-N 3.16Å; C333-G337 WeakPolarHBondContact O-CA 3.32Å; C333-G337 PolarHBondContact O-N 3.49Å; C333-K338 WeakPolarHBondContact CB-O 3.39Å; C333-K338 PolarHBondContact N-O 2.68Å; C333-F340 HydrophobicContact CB-CE2 4.36Å; C333-L346 HydrophobicContact CB-CD1 3.52Å; C333-H353 PolarHBondContact SG-NE2 3.16Å
334N82.3Confident83.4Confident103 Ų10377.1 Ų77.155%0.55141%0.406SS*.THydrogen-bonded Turntrans-56.9-33.7-177.1-59.7-6.2000112.8C336N334-C336 VanDerWaalsContact C-N 3.33Å; N334-C336 PolarHBondContact O-N 3.06Å
335Q83.4Confident83.6Confident101 Ų10175.3 Ų75.347%0.47240%0.399SS..THydrogen-bonded Turntrans-74.1-13.2-177.8-68.4172.4-26.900114.9C333 H353C333-Q335 PolarHBondContact O-N 3.15Å; C333-Q335 VanDerWaalsContact O-N 3.17Å; Q335-H353 VanDerWaalsContact OE1-CB 3.26Å; Q335-H353 PolarHBondContact OE1-CD2 3.38Å
336C86.1Confident83.8Confident43 Ų4372 Ų7229%0.29138%0.384SS..THydrogen-bonded Turntrans-156.913.6-177.370.30000115.6C333 N334 K338 H349 H353C333-C336 PolarHBondContact O-N 2.99Å; C333-C336 VanDerWaalsContact O-N 3.16Å; N334-C336 VanDerWaalsContact C-N 3.33Å; N334-C336 PolarHBondContact O-N 3.06Å; C336-K338 PolarHBondContact O-N 2.76Å; C336-H349 PolarHBondContact SG-NE2 3.24Å; C336-H353 WeakPolarHBondContact CB-CE1 3.22Å; C336-H353 WeakPolarHBondContact CB-NE2 3.42Å; C336-H353 PolarHBondContact SG-CE1 3.09Å; C336-H353 PolarHBondContact SG-NE2 2.92Å
337G83Confident84Confident57 Ų5771.1 Ų71.159%0.58838%0.376SS*.  trans67.3-13.7-178.600000116.4C333 A339C333-G337 WeakPolarHBondContact O-CA 3.32Å; C333-G337 PolarHBondContact O-N 3.49Å; G337-A339 PolarHBondContact O-N 3.11Å
338K86.4Confident84.4Confident120 Ų12066.6 Ų66.652%0.52236%0.358SS..  trans-62.8125.4-171.9-69.9173.3-172.5164.50111.4C333 C336 F340C333-K338 WeakPolarHBondContact CB-O 3.39Å; C333-K338 PolarHBondContact N-O 2.68Å; C336-K338 PolarHBondContact O-N 2.76Å; K338-F340 HydrophobicContact CB-CE2 3.91Å; K338-F340 HydrophobicContact CB-CZ 4.16Å; K338-F340 WeakPolarHBondContact O-CD2 3.36Å; K338-F340 VanDerWaalsContact O-CE2 3.26Å; K338-F340 WeakPolarHBondContact O-CE2 3.42Å
339A86.4Confident84.9Confident36 Ų3662.2 Ų62.230%0.29834%0.337SS..EExtended strand (participates in β ladder)trans-104.4138.6-173.900000112.3K329 K332 G337K329-A339 HydrophobicContact CB-CB 3.46Å; K329-A339 VanDerWaalsContact CB-CB 3.46Å; K329-A339 HydrophobicContact CD-CB 4.14Å; K329-A339 HydrophobicContact CG-CB 4.35Å; K332-A339 HydrophobicContact CG-CB 3.98Å; G337-A339 PolarHBondContact O-N 3.11Å
340F85.1Confident85.1Confident47 Ų4757.1 Ų57.121%0.20632%0.315CS..EExtended strand (participates in β ladder)trans-126.1148.8-175.2-59.8-91.8000111.7K329 H331 C333 K338 R342 L346 H349K329-F340 CarbonylContact C-O 3.48Å; K329-F340 VanDerWaalsContact C-O 3.24Å; K329-F340 WeakPolarHBondContact CA-O 3.39Å; H331-F340 HydrophobicContact CB-CB 4.45Å; H331-F340 PolarHBondContact N-O 3.28Å; H331-F340 VanDerWaalsContact N-O 3.09Å; H331-F340 PolarHBondContact O-N 3.39Å; C333-F340 HydrophobicContact CB-CE2 4.36Å; K338-F340 HydrophobicContact CB-CE2 3.91Å; K338-F340 HydrophobicContact CB-CZ 4.16Å; K338-F340 WeakPolarHBondContact O-CD2 3.36Å; K338-F340 VanDerWaalsContact O-CE2 3.26Å; K338-F340 WeakPolarHBondContact O-CE2 3.42Å; F340-R342 VanDerWaalsContact C-N 3.3Å; F340-R342 PolarHBondContact O-N 2.97Å; F340-L346 HydrophobicContact CB-CB 4.34Å; F340-L346 HydrophobicContact CD2-CB 4.06Å; F340-L346 HydrophobicContact CD2-CD1 3.88Å; F340-L346 HydrophobicContact CE2-CD1 4.06Å; F340-L346 HydrophobicContact CG-CB 4.33Å; F340-H349 HydrophobicContact CE1-CB 4.19Å; F340-H349 HydrophobicContact CE2-CB 4.15Å; F340-H349 AromaticContact CE2-CD2 3.32Å; F340-H349 WeakPolarHBondContact CE2-CD2 3.49Å; F340-H349 AromaticContact CE2-CG 3.89Å; F340-H349 HydrophobicContact CZ-CB 3.69Å; F340-H349 AromaticContact CZ-CD2 3.31Å; F340-H349 WeakPolarHBondContact CZ-CD2 3.35Å; F340-H349 AromaticContact CZ-CG 3.46Å; F340-H349 VanDerWaalsContact CZ-CG 3.46Å
341N84.2Confident85.5Confident61 Ų6155.5 Ų55.533%0.32630%0.298SS..SBendtrans-83.10.8177.263.44.5000114.2I323I323-N341 HydrophobicContact CG2-CB 3.95Å
342R83.3Confident85.6Confident101 Ų10158 Ų5838%0.38131%0.311SS..  trans-148.8134.8177.6-63.9172.555172.2-5.4111.6H331 F340 S344 T345 L346H331-R342 VanDerWaalsContact CD2-CA 3.42Å; H331-R342 WeakPolarHBondContact CD2-CA 3.43Å; H331-R342 PolarHBondContact CD2-N 3Å; F340-R342 VanDerWaalsContact C-N 3.3Å; F340-R342 PolarHBondContact O-N 2.97Å; R342-S344 PolarHBondContact NE-OG 2.81Å; R342-S344 PolarHBondContact NH2-OG 2.93Å; R342-S344 PolarHBondContact O-N 2.93Å; R342-T345 PolarHBondContact O-N 3.39Å; R342-T345 PolarHBondContact O-OG1 3.18Å; R342-L346 PolarHBondContact O-N 2.8Å
343S84Confident85.6Confident52 Ų5255.3 Ų55.336%0.36430%0.301SS..Hα-helixtrans-53-41.5169.554.90000112H331 T345 L346 N347H331-S343 PolarHBondContact CD2-N 3.23Å; H331-S343 PolarHBondContact NE2-N 3.23Å; H331-S343 VanDerWaalsContact NE2-N 3.19Å; S343-T345 VanDerWaalsContact C-N 3.26Å; S343-T345 PolarHBondContact O-N 3.1Å; S343-L346 PolarHBondContact O-N 3.25Å; S343-N347 PolarHBondContact O-N 3.2Å; S343-N347 PolarHBondContact O-OD1 3.48Å; S343-N347 VanDerWaalsContact O-OD1 3.13Å
344S84.8Confident85.4Confident49 Ų4957 Ų5734%0.34332%0.315SS..Hα-helixtrans-59-32.7178.165.60000113.9R342 T348R342-S344 PolarHBondContact NE-OG 2.81Å; R342-S344 PolarHBondContact NH2-OG 2.93Å; R342-S344 PolarHBondContact O-N 2.93Å; S344-T348 WeakPolarHBondContact O-CG2 3.41Å; S344-T348 PolarHBondContact O-N 3.5Å
345T86.5Confident85.5Confident45 Ų4553.9 Ų53.928%0.27631%0.307SS..Hα-helixtrans-83.1-35.3177.345.70000111.8R342 S343 T348 H349R342-T345 PolarHBondContact O-N 3.39Å; R342-T345 PolarHBondContact O-OG1 3.18Å; S343-T345 VanDerWaalsContact C-N 3.26Å; S343-T345 PolarHBondContact O-N 3.1Å; T345-T348 WeakPolarHBondContact CA-OG1 3.26Å; T345-T348 PolarHBondContact O-N 3.29Å; T345-T348 PolarHBondContact O-OG1 2.88Å; T345-H349 PolarHBondContact O-N 2.84Å
346L88.1Confident85.6Confident4 Ų450.9 Ų50.92%0.02129%0.292CS..Hα-helixtrans-56.9-47.9168.4174.857.3000111.3N247 H331 K332 C333 F340 R342 S343 T348 H349 I350N247-L346 HydrophobicContact CB-CD2 4.5Å; N247-L346 WeakPolarHBondContact OD1-CD2 3.32Å; H331-L346 HydrophobicContact CB-CB 4.16Å; H331-L346 HydrophobicContact CB-CD2 3.71Å; K332-L346 WeakPolarHBondContact O-CD2 3.3Å; C333-L346 HydrophobicContact CB-CD1 3.52Å; F340-L346 HydrophobicContact CB-CB 4.34Å; F340-L346 HydrophobicContact CD2-CB 4.06Å; F340-L346 HydrophobicContact CD2-CD1 3.88Å; F340-L346 HydrophobicContact CE2-CD1 4.06Å; F340-L346 HydrophobicContact CG-CB 4.33Å; R342-L346 PolarHBondContact O-N 2.8Å; S343-L346 PolarHBondContact O-N 3.25Å; L346-T348 VanDerWaalsContact C-N 3.28Å; L346-T348 PolarHBondContact O-N 3.11Å; L346-H349 CarbonylContact O-C 3.57Å; L346-H349 WeakPolarHBondContact O-CA 3.36Å; L346-H349 WeakPolarHBondContact O-CB 3.17Å; L346-H349 PolarHBondContact O-N 3.12Å; L346-I350 HydrophobicContact CD1-CD1 3.86Å; L346-I350 HydrophobicContact CD1-CG1 3.93Å; L346-I350 HydrophobicContact CG-CD1 3.77Å; L346-I350 HydrophobicContact CG-CG1 4.35Å; L346-I350 WeakPolarHBondContact O-CG1 3.31Å; L346-I350 PolarHBondContact O-N 3.32Å
347N85.4Confident85.8Confident60 Ų6053.8 Ų53.832%0.32130%0.3SS..Hα-helixtrans-62.6-33.1177-65.213.8000112.2L244 S343 H349L244-N347 HydrophobicContact CD2-CB 3.74Å; L244-N347 VanDerWaalsContact CD2-CG 3.42Å; S343-N347 PolarHBondContact O-N 3.2Å; S343-N347 PolarHBondContact O-OD1 3.48Å; S343-N347 VanDerWaalsContact O-OD1 3.13Å; N347-H349 VanDerWaalsContact C-N 3.31Å
348T86.9Confident86Confident32 Ų3252.8 Ų52.820%0.19628%0.283CS..Hα-helixtrans-71.6-23.5170.963.20000114S344 T345 L346S344-T348 WeakPolarHBondContact O-CG2 3.41Å; S344-T348 PolarHBondContact O-N 3.5Å; T345-T348 WeakPolarHBondContact CA-OG1 3.26Å; T345-T348 PolarHBondContact O-N 3.29Å; T345-T348 PolarHBondContact O-OG1 2.88Å; L346-T348 VanDerWaalsContact C-N 3.28Å; L346-T348 PolarHBondContact O-N 3.11Å
349H88.1Confident86.1Confident20 Ų2049.3 Ų49.39%0.09327%0.268CS..Hα-helixtrans-83.4-41.3178.9171.547.9000112.5C336 F340 T345 L346 N347 R351 I352 H353C336-H349 PolarHBondContact SG-NE2 3.24Å; F340-H349 HydrophobicContact CE1-CB 4.19Å; F340-H349 HydrophobicContact CE2-CB 4.15Å; F340-H349 AromaticContact CE2-CD2 3.32Å; F340-H349 WeakPolarHBondContact CE2-CD2 3.49Å; F340-H349 AromaticContact CE2-CG 3.89Å; F340-H349 HydrophobicContact CZ-CB 3.69Å; F340-H349 AromaticContact CZ-CD2 3.31Å; F340-H349 WeakPolarHBondContact CZ-CD2 3.35Å; F340-H349 AromaticContact CZ-CG 3.46Å; F340-H349 VanDerWaalsContact CZ-CG 3.46Å; T345-H349 PolarHBondContact O-N 2.84Å; L346-H349 CarbonylContact O-C 3.57Å; L346-H349 WeakPolarHBondContact O-CA 3.36Å; L346-H349 WeakPolarHBondContact O-CB 3.17Å; L346-H349 PolarHBondContact O-N 3.12Å; N347-H349 VanDerWaalsContact C-N 3.31Å; H349-R351 PolarHBondContact O-N 3.31Å; H349-I352 VanDerWaalsContact O-CB 3.22Å; H349-I352 WeakPolarHBondContact O-CB 3.46Å; H349-I352 WeakPolarHBondContact O-CG1 3.44Å; H349-I352 PolarHBondContact O-N 3.18Å; H349-H353 AromaticContact CD2-NE2 3.6Å; H349-H353 AromaticContact CE1-CE1 3.99Å; H349-H353 AromaticContact CE1-NE2 3.37Å; H349-H353 PolarHBondContact CE1-NE2 3.16Å; H349-H353 AromaticContact NE2-NE2 2.76Å; H349-H353 PolarHBondContact NE2-NE2 3.17Å
350I86.1Confident86.3Confident1 Ų151.3 Ų51.31%0.00528%0.276CS..Hα-helixtrans-57.8-34.2178.1-64.8157.7000111.2L240 V243 L346 I352 H353 A354L240-I350 HydrophobicContact CD1-CB 4.38Å; L240-I350 HydrophobicContact CD1-CG2 3.63Å; V243-I350 HydrophobicContact CB-CG2 4.19Å; V243-I350 HydrophobicContact CG1-CD1 4.06Å; V243-I350 HydrophobicContact CG1-CG1 4.29Å; V243-I350 HydrophobicContact CG1-CG2 3.61Å; L346-I350 HydrophobicContact CD1-CD1 3.86Å; L346-I350 HydrophobicContact CD1-CG1 3.93Å; L346-I350 HydrophobicContact CG-CD1 3.77Å; L346-I350 HydrophobicContact CG-CG1 4.35Å; L346-I350 WeakPolarHBondContact O-CG1 3.31Å; L346-I350 PolarHBondContact O-N 3.32Å; I350-I352 PolarHBondContact O-N 3.14Å; I350-I352 VanDerWaalsContact O-N 3.1Å; I350-H353 PolarHBondContact O-N 3.2Å; I350-H353 VanDerWaalsContact O-N 3.09Å; I350-A354 PolarHBondContact O-N 3.17Å
351R88.6Confident86.6Confident50 Ų5049.1 Ų49.119%0.18927%0.266CS..Hα-helixtrans-59.8-17.4172.6-70.7-166.1-63.2-152.8-1.4115.1L240 H349 G355 Y356 H369L240-R351 HydrophobicContact CD1-CG 4.1Å; L240-R351 HydrophobicContact CD2-CG 3.86Å; H349-R351 PolarHBondContact O-N 3.31Å; R351-G355 CarbonylContact O-C 3.33Å; R351-G355 PolarHBondContact O-N 3.2Å; R351-Y356 HydrophobicContact CG-CD1 4.15Å; R351-Y356 PolarHBondContact O-N 3.37Å; R351-Y356 VanDerWaalsContact O-N 3.08Å; R351-H369 PolarHBondContact NE-O 2.65Å; R351-H369 PolarHBondContact NH2-O 3.24Å; R351-H369 PolarHBondContact O-CE1 3.13Å; R351-H369 VanDerWaalsContact O-CE1 3.23Å; R351-H369 PolarHBondContact O-ND1 3.2Å
352I86.8Confident86.8Confident90 Ų9050.5 Ų50.546%0.46227%0.271SS..Hα-helixtrans-76.6-46.7174.2-54.5176000109.3H349 I350 G355H349-I352 VanDerWaalsContact O-CB 3.22Å; H349-I352 WeakPolarHBondContact O-CB 3.46Å; H349-I352 WeakPolarHBondContact O-CG1 3.44Å; H349-I352 PolarHBondContact O-N 3.18Å; I350-I352 PolarHBondContact O-N 3.14Å; I350-I352 VanDerWaalsContact O-N 3.1Å; I352-G355 PolarHBondContact O-N 2.77Å
353H84.3Confident86.9Confident87 Ų8752.2 Ų52.240%0.40328%0.281SS..Hα-helixtrans-63.3-44.1176.2-59.2-53.9000111.7C333 Q335 C336 H349 I350 G355C333-H353 PolarHBondContact SG-NE2 3.16Å; Q335-H353 VanDerWaalsContact OE1-CB 3.26Å; Q335-H353 PolarHBondContact OE1-CD2 3.38Å; C336-H353 WeakPolarHBondContact CB-CE1 3.22Å; C336-H353 WeakPolarHBondContact CB-NE2 3.42Å; C336-H353 PolarHBondContact SG-CE1 3.09Å; C336-H353 PolarHBondContact SG-NE2 2.92Å; H349-H353 AromaticContact CD2-NE2 3.6Å; H349-H353 AromaticContact CE1-CE1 3.99Å; H349-H353 AromaticContact CE1-NE2 3.37Å; H349-H353 PolarHBondContact CE1-NE2 3.16Å; H349-H353 AromaticContact NE2-NE2 2.76Å; H349-H353 PolarHBondContact NE2-NE2 3.17Å; I350-H353 PolarHBondContact O-N 3.2Å; I350-H353 VanDerWaalsContact O-N 3.09Å; H353-G355 PolarHBondContact O-N 3.09Å
354A83.9Confident87.1Confident37 Ų3752 Ų5231%0.30628%0.28SS..THydrogen-bonded Turntrans-75.35.4176.400000114.1L240 I350 Y356L240-A354 HydrophobicContact CB-CB 4.07Å; L240-A354 HydrophobicContact CD1-CB 4.27Å; I350-A354 PolarHBondContact O-N 3.17Å; A354-Y356 PolarHBondContact O-N 3.19Å
355G84.5Confident87.2Confident38 Ų3852.5 Ų52.539%0.39229%0.292SS..  trans63.9-12.1-177.200000116.6R351 I352 H353 K357R351-G355 CarbonylContact O-C 3.33Å; R351-G355 PolarHBondContact O-N 3.2Å; I352-G355 PolarHBondContact O-N 2.77Å; H353-G355 PolarHBondContact O-N 3.09Å; G355-K357 WeakPolarHBondContact O-CE 3.49Å; G355-K357 WeakPolarHBondContact O-CG 3.13Å; G355-K357 PolarHBondContact O-N 2.84Å
356Y86Confident87.3Confident39 Ų3956.4 Ų56.415%0.15331%0.305CS..  trans-66.2119.7-164.8-176.5-120.1000114.1L236 P237 L240 R351 A354 P358 H369L236-Y356 HydrophobicContact CD2-CE1 3.98Å; L236-Y356 HydrophobicContact CG-CE1 4.22Å; P237-Y356 HydrophobicContact CG-CD2 3.76Å; P237-Y356 HydrophobicContact CG-CE2 4.3Å; P237-Y356 HydrophobicContact CG-CG 4.22Å; L240-Y356 HydrophobicContact CD2-CD1 3.28Å; L240-Y356 HydrophobicContact CD2-CE1 3.99Å; L240-Y356 HydrophobicContact CD2-CG 3.78Å; R351-Y356 HydrophobicContact CG-CD1 4.15Å; R351-Y356 PolarHBondContact O-N 3.37Å; R351-Y356 VanDerWaalsContact O-N 3.08Å; A354-Y356 PolarHBondContact O-N 3.19Å; Y356-P358 VanDerWaalsContact C-CD 3.49Å; Y356-P358 HydrophobicContact CD1-CB 4.44Å; Y356-P358 HydrophobicContact CD1-CG 4.07Å; Y356-P358 HydrophobicContact CE1-CB 3.73Å; Y356-P358 HydrophobicContact CE1-CG 3.73Å; Y356-P358 HydrophobicContact CE2-CB 4.49Å; Y356-P358 VanDerWaalsContact O-CD 3.27Å; Y356-P358 WeakPolarHBondContact O-CD 3.39Å; Y356-H369 PolarHBondContact O-ND1 3.05Å
357K89.4Confident87.3Confident104 Ų10457.4 Ų57.445%0.45232%0.317SS..  trans-121.370.4-171.4-72.7154.9-172167.20111.7G355 F359 F368G355-K357 WeakPolarHBondContact O-CE 3.49Å; G355-K357 WeakPolarHBondContact O-CG 3.13Å; G355-K357 PolarHBondContact O-N 2.84Å; K357-F359 PolarHBondContact O-N 3.15Å; K357-F368 CarbonylContact C-O 3.58Å
358P86.6Confident87.4Confident35 Ų3556.7 Ų56.723%0.22731%0.311CS..  trans-69.817.3-172.329.6-37.3000115.8Y356Y356-P358 VanDerWaalsContact C-CD 3.49Å; Y356-P358 HydrophobicContact CD1-CB 4.44Å; Y356-P358 HydrophobicContact CD1-CG 4.07Å; Y356-P358 HydrophobicContact CE1-CB 3.73Å; Y356-P358 HydrophobicContact CE1-CG 3.73Å; Y356-P358 HydrophobicContact CE2-CB 4.49Å; Y356-P358 VanDerWaalsContact O-CD 3.27Å; Y356-P358 WeakPolarHBondContact O-CD 3.39Å
359F90.2Very high87.4Confident48 Ų4857.2 Ų57.221%0.21131%0.311CS..EExtended strand (participates in β ladder)trans-13987.4176.8-52.6-69.5000108.4K357 F368 Q370 K371 Y374K357-F359 PolarHBondContact O-N 3.15Å; F359-F368 HydrophobicContact CB-CB 4.4Å; F359-F368 WeakPolarHBondContact CD2-O 3.33Å; F359-F368 PolarHBondContact N-O 2.99Å; F359-F368 PolarHBondContact O-N 2.73Å; F359-Q370 VanDerWaalsContact CD2-C 3.46Å; F359-K371 HydrophobicContact CD1-CB 4.19Å; F359-K371 HydrophobicContact CD1-CG 4.18Å; F359-K371 HydrophobicContact CD2-CB 4.33Å; F359-K371 HydrophobicContact CE1-CB 3.82Å; F359-K371 HydrophobicContact CE1-CD 3.92Å; F359-K371 HydrophobicContact CE1-CG 3.93Å; F359-K371 HydrophobicContact CE2-CB 3.96Å; F359-K371 VanDerWaalsContact CE2-N 3.31Å; F359-K371 HydrophobicContact CG-CB 4.45Å; F359-K371 HydrophobicContact CZ-CB 3.7Å; F359-K371 HydrophobicContact CZ-CD 4.38Å; F359-K371 HydrophobicContact CZ-CG 4.32Å; F359-Y374 HydrophobicContact CB-CD2 3.9Å; F359-Y374 HydrophobicContact CB-CG 3.77Å
360V90Very high87.4Confident78 Ų7860 Ų6047%0.47332%0.324SS..EExtended strand (participates in β ladder)trans-94.4134.6-179.6-1770000110.1E362 Y374V360-E362 PolarHBondContact O-N 2.94Å; V360-Y374 VanDerWaalsContact O-CE2 3.31Å; V360-Y374 WeakPolarHBondContact O-CE2 3.4Å
361C90.9Very high87.5Confident0 Ų065.9 Ų65.90%035%0.349CS..  trans-82.4111.6178-172.50000111.8F363 C364 G365 K366 Y374 H381C361-F363 PolarHBondContact O-N 2.76Å; C361-C364 PolarHBondContact O-N 3.37Å; C361-C364 VanDerWaalsContact O-N 3.11Å; C361-G365 PolarHBondContact O-N 3.29Å; C361-K366 PolarHBondContact N-O 3.19Å; C361-Y374 HydrophobicContact CB-CE2 4.46Å; C361-H381 VanDerWaalsContact SG-CD2 3.51Å; C361-H381 PolarHBondContact SG-NE2 3.11Å; C361-H381 VanDerWaalsContact SG-NE2 3.39Å
362E88.8Confident87.3Confident91 Ų9165.3 Ų65.343%0.42536%0.359SS..THydrogen-bonded Turntrans-47-45.4177.4-52108.1-104.900112.4Y230 V360 C364 Y374 K378Y230-E362 HydrophobicContact CE2-CG 4.43Å; V360-E362 PolarHBondContact O-N 2.94Å; E362-C364 VanDerWaalsContact C-N 3.3Å; E362-C364 PolarHBondContact O-N 3.18Å; E362-Y374 PolarHBondContact OE1-OH 3.01Å; E362-K378 VanDerWaalsContact CD-NZ 3.26Å; E362-K378 IonicContact OE1-NZ 2.61Å; E362-K378 PolarHBondContact OE1-NZ 3.26Å; E362-K378 VanDerWaalsContact OE1-NZ 3.07Å; E362-K378 IonicContact OE2-NZ 2.63Å; E362-K378 PolarHBondContact OE2-NZ 2.91Å
363F85Confident87.3Confident137 Ų13765 Ų6560%0.60136%0.359SS*.THydrogen-bonded Turntrans-70.3-12.5-175.3-58.2-59.4000116.1C361 K378 H381C361-F363 PolarHBondContact O-N 2.76Å; F363-K378 HydrophobicContact CE2-CG 4.35Å; F363-H381 HydrophobicContact CD2-CB 4.02Å; F363-H381 AromaticContact CD2-CD2 4Å
364C88.5Confident87.6Confident48 Ų4862.7 Ų62.732%0.32435%0.347SS..THydrogen-bonded Turntrans-160.218.3-176.7740000116.1C361 E362 K366 H377 H381C361-C364 PolarHBondContact O-N 3.37Å; C361-C364 VanDerWaalsContact O-N 3.11Å; E362-C364 VanDerWaalsContact C-N 3.3Å; E362-C364 PolarHBondContact O-N 3.18Å; C364-K366 PolarHBondContact O-N 2.86Å; C364-H377 PolarHBondContact SG-NE2 2.28Å; C364-H381 PolarHBondContact SG-NE2 3.3Å; C364-H381 VanDerWaalsContact SG-NE2 3.36Å
365G85.9Confident87.7Confident58 Ų5867.2 Ų67.260%0.59836%0.359SS*.  trans64.7-0.2178.100000116.8C361 G367C361-G365 PolarHBondContact O-N 3.29Å; G365-G367 PolarHBondContact O-N 3.18Å
366K88.8Confident87.7Confident127 Ų12768.2 Ų68.255%0.55236%0.355SS*.  trans-74.2113.7-172.5-72.9177.4-174.9172.50111.1C361 C364 F368C361-K366 PolarHBondContact N-O 3.19Å; C364-K366 PolarHBondContact O-N 2.86Å; K366-F368 HydrophobicContact CB-CE2 3.83Å; K366-F368 HydrophobicContact CB-CZ 4.2Å; K366-F368 VanDerWaalsContact O-CD2 3.26Å; K366-F368 WeakPolarHBondContact O-CD2 3.48Å; K366-F368 WeakPolarHBondContact O-CE2 3.33Å
367G89.1Confident87.7Confident26 Ų2667.5 Ų67.527%0.26835%0.354SS..EExtended strand (participates in β ladder)trans-87.3137.8176.800000114.1G365G365-G367 PolarHBondContact O-N 3.18Å
368F87.6Confident87.5Confident45 Ų4565.7 Ų65.720%0.19735%0.346CS..EExtended strand (participates in β ladder)trans-124.3142.1-179.1-63-95.4000112.5K357 F359 K366 Q370 N373 Y374 H377K357-F368 CarbonylContact C-O 3.58Å; F359-F368 HydrophobicContact CB-CB 4.4Å; F359-F368 WeakPolarHBondContact CD2-O 3.33Å; F359-F368 PolarHBondContact N-O 2.99Å; F359-F368 PolarHBondContact O-N 2.73Å; K366-F368 HydrophobicContact CB-CE2 3.83Å; K366-F368 HydrophobicContact CB-CZ 4.2Å; K366-F368 VanDerWaalsContact O-CD2 3.26Å; K366-F368 WeakPolarHBondContact O-CD2 3.48Å; K366-F368 WeakPolarHBondContact O-CE2 3.33Å; F368-Q370 VanDerWaalsContact C-N 3.27Å; F368-Q370 PolarHBondContact O-N 2.9Å; F368-N373 HydrophobicContact CD1-CB 3.91Å; F368-Y374 HydrophobicContact CD2-CD2 4.43Å; F368-H377 HydrophobicContact CE1-CB 4.13Å; F368-H377 HydrophobicContact CE2-CB 4.03Å; F368-H377 AromaticContact CE2-CD2 3.23Å; F368-H377 WeakPolarHBondContact CE2-CD2 3.48Å; F368-H377 AromaticContact CE2-CG 3.79Å; F368-H377 HydrophobicContact CZ-CB 3.58Å; F368-H377 AromaticContact CZ-CD2 3.33Å; F368-H377 WeakPolarHBondContact CZ-CD2 3.38Å; F368-H377 AromaticContact CZ-CG 3.42Å; F368-H377 VanDerWaalsContact CZ-CG 3.42Å
369H87.3Confident87.4Confident43 Ų4365 Ų6520%0.19934%0.34CS..SBendtrans-77.1-4.3174.4-50.5-76.5000114.1R351 Y356R351-H369 PolarHBondContact NE-O 2.65Å; R351-H369 PolarHBondContact NH2-O 3.24Å; R351-H369 PolarHBondContact O-CE1 3.13Å; R351-H369 VanDerWaalsContact O-CE1 3.23Å; R351-H369 PolarHBondContact O-ND1 3.2Å; Y356-H369 PolarHBondContact O-ND1 3.05Å
370Q88Confident87Confident79 Ų7966.2 Ų66.237%0.36935%0.351SS..SBendtrans-145.8134-175.9-60.9-168.621.900113.2F359 F368 G372 N373 Y374F359-Q370 VanDerWaalsContact CD2-C 3.46Å; F368-Q370 VanDerWaalsContact C-N 3.27Å; F368-Q370 PolarHBondContact O-N 2.9Å; Q370-G372 VanDerWaalsContact C-N 3.28Å; Q370-G372 PolarHBondContact O-N 2.89Å; Q370-N373 HydrophobicContact CB-CB 4.47Å; Q370-N373 PolarHBondContact O-N 3.09Å; Q370-N373 VanDerWaalsContact O-N 3.15Å; Q370-Y374 PolarHBondContact O-N 3.21Å; Q370-Y374 VanDerWaalsContact O-N 3.07Å
371K87.2Confident86.6Confident123 Ų12366.2 Ų66.254%0.53535%0.346SS..Hα-helixtrans-61.5-31-178.3-163.8165.5-173.6164.50113.6F359 K375F359-K371 HydrophobicContact CD1-CB 4.19Å; F359-K371 HydrophobicContact CD1-CG 4.18Å; F359-K371 HydrophobicContact CD2-CB 4.33Å; F359-K371 HydrophobicContact CE1-CB 3.82Å; F359-K371 HydrophobicContact CE1-CD 3.92Å; F359-K371 HydrophobicContact CE1-CG 3.93Å; F359-K371 HydrophobicContact CE2-CB 3.96Å; F359-K371 VanDerWaalsContact CE2-N 3.31Å; F359-K371 HydrophobicContact CG-CB 4.45Å; F359-K371 HydrophobicContact CZ-CB 3.7Å; F359-K371 HydrophobicContact CZ-CD 4.38Å; F359-K371 HydrophobicContact CZ-CG 4.32Å; K371-K375 WeakPolarHBondContact O-CG 3.42Å; K371-K375 PolarHBondContact O-N 2.87Å
372G85.4Confident86Confident38 Ų3869.7 Ų69.739%0.39237%0.37SS..Hα-helixtrans-65.4-47.8174.100000112.1Q370 Y374 K375 N376Q370-G372 VanDerWaalsContact C-N 3.28Å; Q370-G372 PolarHBondContact O-N 2.89Å; G372-Y374 PolarHBondContact O-N 3.23Å; G372-K375 PolarHBondContact O-N 2.81Å; G372-N376 VanDerWaalsContact O-CG 3.32Å; G372-N376 PolarHBondContact O-N 3.04Å; G372-N376 PolarHBondContact O-OD1 3.02Å
373N86.5Confident85.3Confident85 Ų8567.2 Ų67.246%0.45537%0.37SS..Hα-helixtrans-64.7-41.5178.7-60.711000111.1F368 Q370 N376 H377F368-N373 HydrophobicContact CD1-CB 3.91Å; Q370-N373 HydrophobicContact CB-CB 4.47Å; Q370-N373 PolarHBondContact O-N 3.09Å; Q370-N373 VanDerWaalsContact O-N 3.15Å; N373-N376 PolarHBondContact O-N 3.17Å; N373-H377 WeakPolarHBondContact O-CB 3.29Å; N373-H377 PolarHBondContact O-N 3.47Å
374Y89.4Confident84.8Confident38 Ų3865 Ų6515%0.14936%0.361CS..Hα-helixtrans-58.1-47.6171.7165.5-91.1000112.3F359 V360 C361 E362 F368 Q370 G372 N376 H377 K378F359-Y374 HydrophobicContact CB-CD2 3.9Å; F359-Y374 HydrophobicContact CB-CG 3.77Å; V360-Y374 VanDerWaalsContact O-CE2 3.31Å; V360-Y374 WeakPolarHBondContact O-CE2 3.4Å; C361-Y374 HydrophobicContact CB-CE2 4.46Å; E362-Y374 PolarHBondContact OE1-OH 3.01Å; F368-Y374 HydrophobicContact CD2-CD2 4.43Å; Q370-Y374 PolarHBondContact O-N 3.21Å; Q370-Y374 VanDerWaalsContact O-N 3.07Å; G372-Y374 PolarHBondContact O-N 3.23Å; Y374-N376 PolarHBondContact O-N 3.04Å; Y374-H377 PolarHBondContact O-N 3.07Å; Y374-K378 HydrophobicContact CE1-CD 4.48Å; Y374-K378 PolarHBondContact O-N 2.98Å; Y374-K378 PolarHBondContact OH-NZ 3.35Å
375K86.4Confident84.3Confident132 Ų13267.9 Ų67.957%0.57437%0.368SS*.Hα-helixtrans-59.8-48.4176.4-82.2-165.1170.3-156.30111.8K371 G372 H377 K378 L379K371-K375 WeakPolarHBondContact O-CG 3.42Å; K371-K375 PolarHBondContact O-N 2.87Å; G372-K375 PolarHBondContact O-N 2.81Å; K375-H377 PolarHBondContact O-N 3.15Å; K375-K378 PolarHBondContact O-N 2.99Å; K375-K378 VanDerWaalsContact O-N 3.1Å; K375-L379 PolarHBondContact O-N 2.86Å
376N84.3Confident84Confident58 Ų5870 Ų7031%0.3136%0.362SS..Hα-helixtrans-65.6-24-179.8-65.410.7000112.2G372 N373 Y374 Q398G372-N376 VanDerWaalsContact O-CG 3.32Å; G372-N376 PolarHBondContact O-N 3.04Å; G372-N376 PolarHBondContact O-OD1 3.02Å; N373-N376 PolarHBondContact O-N 3.17Å; Y374-N376 PolarHBondContact O-N 3.04Å; N376-Q398 HydrophobicContact CB-CG 4.32Å; N376-Q398 PolarHBondContact ND2-OE1 3.27Å
377H87Confident83.7Confident25 Ų2567.4 Ų67.412%0.11635%0.35CS..Hα-helixtrans-79.1-38.5169.717648.1000113.2C364 F368 N373 Y374 K375 L379 T380 H381C364-H377 PolarHBondContact SG-NE2 2.28Å; F368-H377 HydrophobicContact CE1-CB 4.13Å; F368-H377 HydrophobicContact CE2-CB 4.03Å; F368-H377 AromaticContact CE2-CD2 3.23Å; F368-H377 WeakPolarHBondContact CE2-CD2 3.48Å; F368-H377 AromaticContact CE2-CG 3.79Å; F368-H377 HydrophobicContact CZ-CB 3.58Å; F368-H377 AromaticContact CZ-CD2 3.33Å; F368-H377 WeakPolarHBondContact CZ-CD2 3.38Å; F368-H377 AromaticContact CZ-CG 3.42Å; F368-H377 VanDerWaalsContact CZ-CG 3.42Å; N373-H377 WeakPolarHBondContact O-CB 3.29Å; N373-H377 PolarHBondContact O-N 3.47Å; Y374-H377 PolarHBondContact O-N 3.07Å; K375-H377 PolarHBondContact O-N 3.15Å; H377-L379 PolarHBondContact O-N 3.27Å; H377-T380 PolarHBondContact ND1-OG1 2.91Å; H377-T380 VanDerWaalsContact ND1-OG1 3.11Å; H377-T380 PolarHBondContact O-N 3.36Å; H377-T380 PolarHBondContact O-OG1 3.45Å; H377-H381 AromaticContact CE1-CD2 3.93Å; H377-H381 AromaticContact CE1-CE1 3.82Å; H377-H381 AromaticContact CE1-NE2 3.18Å; H377-H381 PolarHBondContact CE1-NE2 3.43Å; H377-H381 AromaticContact NE2-CD2 3.92Å; H377-H381 AromaticContact NE2-NE2 3.12Å; H377-H381 PolarHBondContact NE2-NE2 3.2Å; H377-H381 VanDerWaalsContact NE2-NE2 3.12Å
378K85Confident83.5Confident65 Ų6573 Ų7328%0.28337%0.367SS..Hα-helixtrans-59.3-31.3176.6-159.4160.9-168.8162.60111.6E362 F363 Y374 K375 T380 H381 S382E362-K378 VanDerWaalsContact CD-NZ 3.26Å; E362-K378 IonicContact OE1-NZ 2.61Å; E362-K378 PolarHBondContact OE1-NZ 3.26Å; E362-K378 VanDerWaalsContact OE1-NZ 3.07Å; E362-K378 IonicContact OE2-NZ 2.63Å; E362-K378 PolarHBondContact OE2-NZ 2.91Å; F363-K378 HydrophobicContact CE2-CG 4.35Å; Y374-K378 HydrophobicContact CE1-CD 4.48Å; Y374-K378 PolarHBondContact O-N 2.98Å; Y374-K378 PolarHBondContact OH-NZ 3.35Å; K375-K378 PolarHBondContact O-N 2.99Å; K375-K378 VanDerWaalsContact O-N 3.1Å; K378-T380 VanDerWaalsContact C-N 3.28Å; K378-T380 PolarHBondContact O-N 2.61Å; K378-H381 PolarHBondContact O-N 2.86Å; K378-S382 PolarHBondContact O-N 3.11Å; K378-S382 VanDerWaalsContact O-N 3.17Å
379L84.2Confident83.5Confident22 Ų2270.9 Ų70.912%0.11536%0.357CS..Hα-helixtrans-62-24.7170.2-62177.6000114.7K375 H377 H381 G383 E384 H397K375-L379 PolarHBondContact O-N 2.86Å; H377-L379 PolarHBondContact O-N 3.27Å; L379-H381 VanDerWaalsContact C-N 3.31Å; L379-G383 PolarHBondContact O-N 3.2Å; L379-G383 VanDerWaalsContact O-N 3.14Å; L379-E384 HydrophobicContact CD2-CB 3.85Å; L379-E384 WeakPolarHBondContact CD2-OE2 3.36Å; L379-H397 HydrophobicContact CB-CB 4.46Å; L379-H397 PolarHBondContact O-CE1 3.43Å; L379-H397 VanDerWaalsContact O-CE1 3.27Å; L379-H397 PolarHBondContact O-ND1 2.96Å
380T82.3Confident83.4Confident72 Ų7274.4 Ų74.444%0.44238%0.382SS..Hα-helixtrans-75.5-21.9176.766.80000112.7H377 K378H377-T380 PolarHBondContact ND1-OG1 2.91Å; H377-T380 VanDerWaalsContact ND1-OG1 3.11Å; H377-T380 PolarHBondContact O-N 3.36Å; H377-T380 PolarHBondContact O-OG1 3.45Å; K378-T380 VanDerWaalsContact C-N 3.28Å; K378-T380 PolarHBondContact O-N 2.61Å
381H81.4Confident83.2Confident78 Ų7875.4 Ų75.436%0.36139%0.389SS..Hα-helixtrans-86.3-42.5173.3-61-61.4000111.6C361 F363 C364 H377 K378 L379 G383C361-H381 VanDerWaalsContact SG-CD2 3.51Å; C361-H381 PolarHBondContact SG-NE2 3.11Å; C361-H381 VanDerWaalsContact SG-NE2 3.39Å; F363-H381 HydrophobicContact CD2-CB 4.02Å; F363-H381 AromaticContact CD2-CD2 4Å; C364-H381 PolarHBondContact SG-NE2 3.3Å; C364-H381 VanDerWaalsContact SG-NE2 3.36Å; H377-H381 AromaticContact CE1-CD2 3.93Å; H377-H381 AromaticContact CE1-CE1 3.82Å; H377-H381 AromaticContact CE1-NE2 3.18Å; H377-H381 PolarHBondContact CE1-NE2 3.43Å; H377-H381 AromaticContact NE2-CD2 3.92Å; H377-H381 AromaticContact NE2-NE2 3.12Å; H377-H381 PolarHBondContact NE2-NE2 3.2Å; H377-H381 VanDerWaalsContact NE2-NE2 3.12Å; K378-H381 PolarHBondContact O-N 2.86Å; L379-H381 VanDerWaalsContact C-N 3.31Å; H381-G383 PolarHBondContact O-N 3.24Å
382S77.9Confident83.2Confident73 Ų7371.7 Ų71.751%0.5138%0.378SS..Hα-helixtrans-65.2-19.4175.6-165.30000113.4K378 E384K378-S382 PolarHBondContact O-N 3.11Å; K378-S382 VanDerWaalsContact O-N 3.17Å; S382-E384 WeakPolarHBondContact CB-OE1 3.34Å; S382-E384 PolarHBondContact O-N 3.15Å; S382-E384 VanDerWaalsContact O-N 3.1Å; S382-E384 WeakPolarHBondContact OG-CG 3.43Å; S382-E384 PolarHBondContact OG-OE1 3.39Å
383G73.3Confident83Confident40 Ų4075.7 Ų75.741%0.41239%0.391SS..  trans74.1-8.6-175.200000114.3L379 H381 K385L379-G383 PolarHBondContact O-N 3.2Å; L379-G383 VanDerWaalsContact O-N 3.14Å; H381-G383 PolarHBondContact O-N 3.24Å; G383-K385 WeakPolarHBondContact O-CG 3.4Å; G383-K385 PolarHBondContact O-N 2.94Å
384E74.5Confident82.9Confident89 Ų8977.9 Ų77.942%0.41640%0.396SS..  trans-50.5102.7176.9-81.6174.7-107.900113.4L379 S382 Q386 H397L379-E384 HydrophobicContact CD2-CB 3.85Å; L379-E384 WeakPolarHBondContact CD2-OE2 3.36Å; S382-E384 WeakPolarHBondContact CB-OE1 3.34Å; S382-E384 PolarHBondContact O-N 3.15Å; S382-E384 VanDerWaalsContact O-N 3.1Å; S382-E384 WeakPolarHBondContact OG-CG 3.43Å; S382-E384 PolarHBondContact OG-OE1 3.39Å; E384-Q386 PolarHBondContact OE2-NE2 2.86Å; E384-H397 PolarHBondContact O-ND1 2.79Å
385K78.3Confident82.6Confident109 Ų10977.6 Ų77.647%0.47440%0.401SS..  trans-104.679.3177.7-75.4159.8174.4179.50110.2G383 Y387 A395 F396 H397G383-K385 WeakPolarHBondContact O-CG 3.4Å; G383-K385 PolarHBondContact O-N 2.94Å; K385-Y387 PolarHBondContact O-N 3.36Å; K385-A395 HydrophobicContact CB-CB 3.5Å; K385-A395 VanDerWaalsContact CB-CB 3.5Å; K385-A395 HydrophobicContact CD-CB 4.2Å; K385-A395 WeakPolarHBondContact CD-O 3.48Å; K385-A395 HydrophobicContact CG-CB 4.33Å; K385-F396 CarbonylContact C-O 3.51Å; K385-F396 WeakPolarHBondContact CA-O 3.43Å; K385-H397 WeakPolarHBondContact CE-NE2 3.22Å; K385-H397 VanDerWaalsContact CG-CE1 3.46Å; K385-H397 WeakPolarHBondContact CG-CE1 3.38Å
386Q79.1Confident82.4Confident102 Ų10273.7 Ų73.748%0.47739%0.385SS..  trans-63.9-18.1-173.2-62.6176.8-5.900114.2E384 F396E384-Q386 PolarHBondContact OE2-NE2 2.86Å; Q386-F396 PolarHBondContact N-O 3.03Å
387Y82.7Confident82.2Confident74 Ų7472.8 Ų72.829%0.2938%0.378SS..EExtended strand (participates in β ladder)trans-116.7100.2-174.1-55.2-75.8000111.1K385 A395 F396 V399K385-Y387 PolarHBondContact O-N 3.36Å; Y387-A395 CarbonylContact O-C 3.59Å; Y387-A395 WeakPolarHBondContact O-CA 3.11Å; Y387-F396 PolarHBondContact N-O 3.44Å; Y387-F396 PolarHBondContact O-N 2.99Å; Y387-V399 HydrophobicContact CD1-CG2 3.75Å; Y387-V399 HydrophobicContact CE1-CG2 3.34Å; Y387-V399 HydrophobicContact CE2-CG2 4.17Å; Y387-V399 HydrophobicContact CG-CG2 4.32Å
388K85.2Confident81.9Confident143 Ų14373.9 Ų73.962%0.62238%0.384SS*.EExtended strand (participates in β ladder)trans-90.8143.2179.4-60.7-175.3-178.8179.90111.9A395K388-A395 HydrophobicContact CG-CB 3.96Å
389C88.2Confident81.9Confident1 Ų173.9 Ų73.91%0.00739%0.389CS..  trans-73.8128.9166.6176.30000110.5I391 C392 N393 K394 L402 M406 H409C389-I391 VanDerWaalsContact C-N 3.34Å; C389-I391 PolarHBondContact SG-N 3.04Å; C389-C392 PolarHBondContact SG-N 2.91Å; C389-C392 VanDerWaalsContact SG-SG 3.67Å; C389-N393 WeakPolarHBondContact O-CA 3.34Å; C389-N393 PolarHBondContact O-N 3.24Å; C389-K394 HydrophobicContact CB-CB 4.5Å; C389-K394 VanDerWaalsContact CB-O 3.25Å; C389-K394 WeakPolarHBondContact CB-O 3.31Å; C389-K394 PolarHBondContact N-O 3.14Å; C389-L402 HydrophobicContact CB-CD1 4.01Å; C389-M406 HydrophobicContact CB-CE 3.85Å; C389-M406 WeakPolarHBondContact SG-CE 3.4Å; C389-H409 PolarHBondContact SG-NE2 3.47Å; C389-H409 VanDerWaalsContact SG-NE2 3.36Å
390T84.3Confident81.8Confident117 Ų11778.5 Ų78.572%0.71841%0.405SS*.THydrogen-bonded Turntrans-70.1-29.1175.245.90000113.3
391I85.3Confident81.9Confident99 Ų9977.8 Ų77.851%0.50840%0.399SS..THydrogen-bonded Turntrans-85.6-39.7-172.3-59.6171.8000112.2C389 H409C389-I391 VanDerWaalsContact C-N 3.34Å; C389-I391 PolarHBondContact SG-N 3.04Å; I391-H409 HydrophobicContact CD1-CB 3.54Å; I391-H409 HydrophobicContact CG2-CB 4.4Å
392C85.9Confident82.2Confident46 Ų4674.4 Ų74.431%0.31138%0.384SS..THydrogen-bonded Turntrans-134.917.4-17775.10000114.7C389 K394 H405 H409C389-C392 PolarHBondContact SG-N 2.91Å; C389-C392 VanDerWaalsContact SG-SG 3.67Å; C392-K394 PolarHBondContact O-N 2.88Å; C392-H405 PolarHBondContact SG-NE2 3.02Å; C392-H409 PolarHBondContact SG-CE1 3.07Å; C392-H409 PolarHBondContact SG-NE2 3.17Å; C392-H409 VanDerWaalsContact SG-NE2 3.4Å
393N82.3Confident82.5Confident122 Ų12273.1 Ų73.165%0.65237%0.373SS*.  trans57.6-0.2175.1-70.4-60.9000117.4C389 A395C389-N393 WeakPolarHBondContact O-CA 3.34Å; C389-N393 PolarHBondContact O-N 3.24Å; N393-A395 PolarHBondContact O-N 2.83Å
394K83.1Confident82.9Confident131 Ų13174.5 Ų74.557%0.5737%0.367SS*.  trans-57.4130.3173.5-69.8-179.3-176177.50110.4C389 C392 F396C389-K394 HydrophobicContact CB-CB 4.5Å; C389-K394 VanDerWaalsContact CB-O 3.25Å; C389-K394 WeakPolarHBondContact CB-O 3.31Å; C389-K394 PolarHBondContact N-O 3.14Å; C392-K394 PolarHBondContact O-N 2.88Å; K394-F396 HydrophobicContact CB-CE2 3.98Å; K394-F396 HydrophobicContact CB-CZ 4.18Å; K394-F396 VanDerWaalsContact O-CE2 3.26Å; K394-F396 WeakPolarHBondContact O-CE2 3.42Å
395A84.1Confident83.4Confident32 Ų3271.3 Ų71.326%0.26435%0.353SS..EExtended strand (participates in β ladder)trans-115.3141.7-17000000112.3K385 Y387 K388 N393K385-A395 HydrophobicContact CB-CB 3.5Å; K385-A395 VanDerWaalsContact CB-CB 3.5Å; K385-A395 HydrophobicContact CD-CB 4.2Å; K385-A395 WeakPolarHBondContact CD-O 3.48Å; K385-A395 HydrophobicContact CG-CB 4.33Å; Y387-A395 CarbonylContact O-C 3.59Å; Y387-A395 WeakPolarHBondContact O-CA 3.11Å; K388-A395 HydrophobicContact CG-CB 3.96Å; N393-A395 PolarHBondContact O-N 2.83Å
396F82.6Confident83.6Confident50 Ų5066.8 Ų66.822%0.21933%0.333CS..EExtended strand (participates in β ladder)trans-131.1153.4-170.3-57.6-93000111.7K385 Q386 Y387 K394 N401 L402 H405K385-F396 CarbonylContact C-O 3.51Å; K385-F396 WeakPolarHBondContact CA-O 3.43Å; Q386-F396 PolarHBondContact N-O 3.03Å; Y387-F396 PolarHBondContact N-O 3.44Å; Y387-F396 PolarHBondContact O-N 2.99Å; K394-F396 HydrophobicContact CB-CE2 3.98Å; K394-F396 HydrophobicContact CB-CZ 4.18Å; K394-F396 VanDerWaalsContact O-CE2 3.26Å; K394-F396 WeakPolarHBondContact O-CE2 3.42Å; F396-N401 HydrophobicContact CB-CB 4.22Å; F396-N401 HydrophobicContact CD1-CB 3.82Å; F396-N401 HydrophobicContact CG-CB 4.26Å; F396-L402 HydrophobicContact CD2-CB 4.29Å; F396-L402 HydrophobicContact CD2-CD1 3.92Å; F396-L402 HydrophobicContact CE2-CD1 4.15Å; F396-H405 HydrophobicContact CE1-CB 4.36Å; F396-H405 HydrophobicContact CE2-CB 4.12Å; F396-H405 AromaticContact CE2-CD2 3.35Å; F396-H405 WeakPolarHBondContact CE2-CD2 3.36Å; F396-H405 AromaticContact CE2-CG 3.95Å; F396-H405 HydrophobicContact CZ-CB 3.73Å; F396-H405 AromaticContact CZ-CD2 3.38Å; F396-H405 WeakPolarHBondContact CZ-CD2 3.42Å; F396-H405 AromaticContact CZ-CG 3.58Å
397H79.7Confident83.8Confident39 Ų3963.3 Ų63.318%0.18132%0.317CS..SBendtrans-82.9-13.2178.9-53.9-81.1000114L379 E384 K385L379-H397 HydrophobicContact CB-CB 4.46Å; L379-H397 PolarHBondContact O-CE1 3.43Å; L379-H397 VanDerWaalsContact O-CE1 3.27Å; L379-H397 PolarHBondContact O-ND1 2.96Å; E384-H397 PolarHBondContact O-ND1 2.79Å; K385-H397 WeakPolarHBondContact CE-NE2 3.22Å; K385-H397 VanDerWaalsContact CG-CE1 3.46Å; K385-H397 WeakPolarHBondContact CG-CE1 3.38Å
398Q81.4Confident83.7Confident48 Ų4863.5 Ų63.522%0.22433%0.326CS..SBendtrans-146.4140.1-174.1-59.1-174.678.200112N376 Y400 N401 L402N376-Q398 HydrophobicContact CB-CG 4.32Å; N376-Q398 PolarHBondContact ND2-OE1 3.27Å; Q398-Y400 HydrophobicContact CB-CD1 4.05Å; Q398-Y400 HydrophobicContact CB-CE1 3.8Å; Q398-Y400 HydrophobicContact CG-CE1 4.33Å; Q398-Y400 PolarHBondContact NE2-OH 3.1Å; Q398-Y400 PolarHBondContact O-N 3.02Å; Q398-N401 WeakPolarHBondContact O-CB 3.47Å; Q398-N401 PolarHBondContact O-N 3.19Å; Q398-N401 VanDerWaalsContact O-N 3.13Å; Q398-L402 PolarHBondContact O-N 2.74Å
399V84.1Confident83.5Confident65 Ų6559.8 Ų59.839%0.39431%0.311SS..Hα-helixtrans-52.6-46.3-175.8-178.30000113Y387 N401 L402 T403Y387-V399 HydrophobicContact CD1-CG2 3.75Å; Y387-V399 HydrophobicContact CE1-CG2 3.34Å; Y387-V399 HydrophobicContact CE2-CG2 4.17Å; Y387-V399 HydrophobicContact CG-CG2 4.32Å; V399-N401 PolarHBondContact O-N 2.7Å; V399-L402 CarbonylContact O-C 3.43Å; V399-L402 WeakPolarHBondContact O-CA 3.17Å; V399-L402 WeakPolarHBondContact O-CB 3.23Å; V399-L402 PolarHBondContact O-N 2.75Å; V399-T403 PolarHBondContact O-N 3.36Å; V399-T403 PolarHBondContact O-OG1 3.42Å
400Y82.9Confident83Confident118 Ų11863 Ų6346%0.46333%0.328SS..Hα-helixtrans-64.1-30-175.673.1-98.5000112.9Q398 T403 F404Q398-Y400 HydrophobicContact CB-CD1 4.05Å; Q398-Y400 HydrophobicContact CB-CE1 3.8Å; Q398-Y400 HydrophobicContact CG-CE1 4.33Å; Q398-Y400 PolarHBondContact NE2-OH 3.1Å; Q398-Y400 PolarHBondContact O-N 3.02Å; Y400-T403 PolarHBondContact O-N 3.08Å; Y400-F404 AromaticContact CD2-CD2 3.97Å; Y400-F404 HydrophobicContact CD2-CD2 3.97Å; Y400-F404 AromaticContact CD2-CE2 3.9Å; Y400-F404 HydrophobicContact CD2-CE2 3.9Å; Y400-F404 WeakPolarHBondContact O-CD2 3.11Å; Y400-F404 WeakPolarHBondContact O-CG 3.26Å; Y400-F404 PolarHBondContact O-N 3.04Å
401N84.1Confident82.5Confident57 Ų5762.3 Ų62.331%0.30532%0.32SS..Hα-helixtrans-68.9-37.5174-70-49.6000110.8F396 Q398 V399 H405F396-N401 HydrophobicContact CB-CB 4.22Å; F396-N401 HydrophobicContact CD1-CB 3.82Å; F396-N401 HydrophobicContact CG-CB 4.26Å; Q398-N401 WeakPolarHBondContact O-CB 3.47Å; Q398-N401 PolarHBondContact O-N 3.19Å; Q398-N401 VanDerWaalsContact O-N 3.13Å; V399-N401 PolarHBondContact O-N 2.7Å; N401-H405 WeakPolarHBondContact O-CB 3.45Å; N401-H405 PolarHBondContact O-N 2.96Å
402L86.6Confident82Confident8 Ų863.5 Ų63.54%0.04232%0.321CS..Hα-helixtrans-64.2-45.6171.2-179.466.7000110.7I32 C389 F396 Q398 V399 F404 H405 M406I32-L402 HydrophobicContact CD1-CD2 4.09Å; C389-L402 HydrophobicContact CB-CD1 4.01Å; F396-L402 HydrophobicContact CD2-CB 4.29Å; F396-L402 HydrophobicContact CD2-CD1 3.92Å; F396-L402 HydrophobicContact CE2-CD1 4.15Å; Q398-L402 PolarHBondContact O-N 2.74Å; V399-L402 CarbonylContact O-C 3.43Å; V399-L402 WeakPolarHBondContact O-CA 3.17Å; V399-L402 WeakPolarHBondContact O-CB 3.23Å; V399-L402 PolarHBondContact O-N 2.75Å; L402-F404 PolarHBondContact O-N 2.89Å; L402-H405 CarbonylContact O-C 3.24Å; L402-H405 WeakPolarHBondContact O-CA 3.31Å; L402-H405 WeakPolarHBondContact O-CB 3.46Å; L402-H405 PolarHBondContact O-N 3.42Å; L402-M406 HydrophobicContact CD1-CE 3.43Å; L402-M406 VanDerWaalsContact CD1-CE 3.43Å; L402-M406 HydrophobicContact CD1-SD 4.27Å; L402-M406 HydrophobicContact CG-CE 4.2Å; L402-M406 WeakPolarHBondContact O-CE 3.27Å; L402-M406 WeakPolarHBondContact O-CG 3.38Å; L402-M406 PolarHBondContact O-N 2.81Å
403T85.4Confident81.7Confident46 Ų4665.7 Ų65.728%0.28233%0.325SS..Hα-helixtrans-58.7-49.4177.5-47.10000112.2V399 Y400 H405 M406 H407V399-T403 PolarHBondContact O-N 3.36Å; V399-T403 PolarHBondContact O-OG1 3.42Å; Y400-T403 PolarHBondContact O-N 3.08Å; T403-H405 PolarHBondContact O-N 2.8Å; T403-M406 PolarHBondContact O-N 3.4Å; T403-H407 PolarHBondContact O-N 3.48Å
404F81.5Confident81.7Confident68 Ų6863.2 Ų63.230%0.29832%0.316SS..Hα-helixtrans-64.9-23.1175.8-68.9-50.9000113.3Y400 L402 H407 F415 C425 R426Y400-F404 AromaticContact CD2-CD2 3.97Å; Y400-F404 HydrophobicContact CD2-CD2 3.97Å; Y400-F404 AromaticContact CD2-CE2 3.9Å; Y400-F404 HydrophobicContact CD2-CE2 3.9Å; Y400-F404 WeakPolarHBondContact O-CD2 3.11Å; Y400-F404 WeakPolarHBondContact O-CG 3.26Å; Y400-F404 PolarHBondContact O-N 3.04Å; L402-F404 PolarHBondContact O-N 2.89Å; F404-H407 AromaticContact CD1-ND1 3.9Å; F404-F415 HydrophobicContact CE1-CE2 4.34Å; F404-C425 WeakPolarHBondContact CD1-O 3.5Å; F404-R426 HydrophobicContact CB-CG 4.11Å; F404-R426 HydrophobicContact CD1-CG 3.95Å; F404-R426 HydrophobicContact CD2-CG 4.43Å; F404-R426 HydrophobicContact CE1-CG 4.5Å; F404-R426 HydrophobicContact CG-CG 3.93Å
405H84.5Confident81.7Confident23 Ų2359.8 Ų59.811%0.10630%0.301CS..Hα-helixtrans-78.8-31.9169.918039.3000112.8C392 F396 N401 L402 T403 H407 T408 H409C392-H405 PolarHBondContact SG-NE2 3.02Å; F396-H405 HydrophobicContact CE1-CB 4.36Å; F396-H405 HydrophobicContact CE2-CB 4.12Å; F396-H405 AromaticContact CE2-CD2 3.35Å; F396-H405 WeakPolarHBondContact CE2-CD2 3.36Å; F396-H405 AromaticContact CE2-CG 3.95Å; F396-H405 HydrophobicContact CZ-CB 3.73Å; F396-H405 AromaticContact CZ-CD2 3.38Å; F396-H405 WeakPolarHBondContact CZ-CD2 3.42Å; F396-H405 AromaticContact CZ-CG 3.58Å; N401-H405 WeakPolarHBondContact O-CB 3.45Å; N401-H405 PolarHBondContact O-N 2.96Å; L402-H405 CarbonylContact O-C 3.24Å; L402-H405 WeakPolarHBondContact O-CA 3.31Å; L402-H405 WeakPolarHBondContact O-CB 3.46Å; L402-H405 PolarHBondContact O-N 3.42Å; T403-H405 PolarHBondContact O-N 2.8Å; H405-H407 PolarHBondContact O-N 2.8Å; H405-T408 PolarHBondContact CE1-OG1 2.72Å; H405-T408 PolarHBondContact ND1-OG1 3.42Å; H405-T408 PolarHBondContact O-N 2.82Å; H405-T408 PolarHBondContact O-OG1 3.11Å; H405-H409 AromaticContact CD2-NE2 3.92Å; H405-H409 AromaticContact CE1-CD2 3.88Å; H405-H409 AromaticContact CE1-CE1 3.74Å; H405-H409 AromaticContact CE1-NE2 3.08Å; H405-H409 PolarHBondContact CE1-NE2 3.11Å; H405-H409 AromaticContact ND1-NE2 3.89Å; H405-H409 AromaticContact NE2-CD2 3.99Å; H405-H409 AromaticContact NE2-CE1 3.99Å; H405-H409 AromaticContact NE2-NE2 3.09Å; H405-H409 PolarHBondContact NE2-NE2 2.61Å
406M83.3Confident81.8Confident13 Ų1362.6 Ų62.66%0.06432%0.316CS..Hα-helixtrans-62.9-31.8174.1-61.7-49.484.500111.3M36 C389 L402 T403 T408 H409 N410M36-M406 HydrophobicContact CE-CB 4.46Å; C389-M406 HydrophobicContact CB-CE 3.85Å; C389-M406 WeakPolarHBondContact SG-CE 3.4Å; L402-M406 HydrophobicContact CD1-CE 3.43Å; L402-M406 VanDerWaalsContact CD1-CE 3.43Å; L402-M406 HydrophobicContact CD1-SD 4.27Å; L402-M406 HydrophobicContact CG-CE 4.2Å; L402-M406 WeakPolarHBondContact O-CE 3.27Å; L402-M406 WeakPolarHBondContact O-CG 3.38Å; L402-M406 PolarHBondContact O-N 2.81Å; T403-M406 PolarHBondContact O-N 3.4Å; M406-T408 PolarHBondContact O-N 3.04Å; M406-H409 PolarHBondContact O-N 3.35Å; M406-N410 PolarHBondContact O-N 3.02Å; M406-N410 VanDerWaalsContact O-N 3.13Å; M406-N410 PolarHBondContact O-ND2 3.47Å
407H83.6Confident82.1Confident29 Ų2960.4 Ų60.413%0.13431%0.306CS..THydrogen-bonded Turntrans-59.5-22170.9-61.7171.6000113.8T403 F404 H405 K412 C425T403-H407 PolarHBondContact O-N 3.48Å; F404-H407 AromaticContact CD1-ND1 3.9Å; H405-H407 PolarHBondContact O-N 2.8Å; H407-K412 WeakPolarHBondContact CB-O 3.35Å; H407-C425 HydrophobicContact CB-CB 3.86Å; H407-C425 PolarHBondContact ND1-O 3.47Å
408T80.4Confident82.3Confident79 Ų7963.8 Ų63.849%0.48534%0.341SS..THydrogen-bonded Turntrans-86.5-3.6175.675.70000113.9H405 M406H405-T408 PolarHBondContact CE1-OG1 2.72Å; H405-T408 PolarHBondContact ND1-OG1 3.42Å; H405-T408 PolarHBondContact O-N 2.82Å; H405-T408 PolarHBondContact O-OG1 3.11Å; M406-T408 PolarHBondContact O-N 3.04Å
409H80.3Confident82.5Confident64 Ų6466.2 Ų66.230%0.29636%0.359SS..THydrogen-bonded Turntrans-112-19.5174.4-61.1-67.6000113.1C389 I391 C392 H405 M406C389-H409 PolarHBondContact SG-NE2 3.47Å; C389-H409 VanDerWaalsContact SG-NE2 3.36Å; I391-H409 HydrophobicContact CD1-CB 3.54Å; I391-H409 HydrophobicContact CG2-CB 4.4Å; C392-H409 PolarHBondContact SG-CE1 3.07Å; C392-H409 PolarHBondContact SG-NE2 3.17Å; C392-H409 VanDerWaalsContact SG-NE2 3.4Å; H405-H409 AromaticContact CD2-NE2 3.92Å; H405-H409 AromaticContact CE1-CD2 3.88Å; H405-H409 AromaticContact CE1-CE1 3.74Å; H405-H409 AromaticContact CE1-NE2 3.08Å; H405-H409 PolarHBondContact CE1-NE2 3.11Å; H405-H409 AromaticContact ND1-NE2 3.89Å; H405-H409 AromaticContact NE2-CD2 3.99Å; H405-H409 AromaticContact NE2-CE1 3.99Å; H405-H409 AromaticContact NE2-NE2 3.09Å; H405-H409 PolarHBondContact NE2-NE2 2.61Å; M406-H409 PolarHBondContact O-N 3.35Å
410N78.3Confident82.7Confident68 Ų6865.5 Ų65.536%0.36436%0.356SS..SBendtrans-101.9-1.1-178.5-74-112.3000112.1M406 K412M406-N410 PolarHBondContact O-N 3.02Å; M406-N410 VanDerWaalsContact O-N 3.13Å; M406-N410 PolarHBondContact O-ND2 3.47Å; N410-K412 HydrophobicContact CB-CB 4.34Å; N410-K412 HydrophobicContact CB-CD 4.08Å; N410-K412 HydrophobicContact CB-CG 4.05Å; N410-K412 PolarHBondContact O-N 3.18Å
411D73.1Confident82.7Confident104 Ų10462.4 Ų62.456%0.55636%0.36SS*.  trans48.12.6-166.3-90.3-77000117.9K413D411-K413 WeakPolarHBondContact O-CD 3.48Å; D411-K413 WeakPolarHBondContact O-CG 3.43Å; D411-K413 PolarHBondContact O-N 3.27Å; D411-K413 VanDerWaalsContact OD1-CE 3.28Å; D411-K413 WeakPolarHBondContact OD1-CE 3.3Å; D411-K413 IonicContact OD1-NZ 2.68Å; D411-K413 PolarHBondContact OD1-NZ 2.84Å
412K74.8Confident82.7Confident123 Ų12365.9 Ų65.954%0.53537%0.373SS..  trans-58.996.1173.4-69.4176.9-174179.40110H407 N410 P414H407-K412 WeakPolarHBondContact CB-O 3.35Å; N410-K412 HydrophobicContact CB-CB 4.34Å; N410-K412 HydrophobicContact CB-CD 4.08Å; N410-K412 HydrophobicContact CB-CG 4.05Å; N410-K412 PolarHBondContact O-N 3.18Å; K412-P414 VanDerWaalsContact O-CD 3.22Å; K412-P414 WeakPolarHBondContact O-CD 3.44Å
413K80.6Confident82.6Confident92 Ų9266.9 Ų66.940%0.439%0.385SS..  trans-98.988.2177.2-74.4150-169.3157.20109.1D411 F415 F424D411-K413 WeakPolarHBondContact O-CD 3.48Å; D411-K413 WeakPolarHBondContact O-CG 3.43Å; D411-K413 PolarHBondContact O-N 3.27Å; D411-K413 VanDerWaalsContact OD1-CE 3.28Å; D411-K413 WeakPolarHBondContact OD1-CE 3.3Å; D411-K413 IonicContact OD1-NZ 2.68Å; D411-K413 PolarHBondContact OD1-NZ 2.84Å; K413-F415 PolarHBondContact O-N 2.91Å; K413-F415 VanDerWaalsContact O-N 3.12Å; K413-F424 CarbonylContact C-O 3.2Å
414P81.1Confident82.5Confident71 Ų7166.8 Ų66.846%0.46138%0.381SS..  trans-78.7-0.1-165.6-10.129.9000113.5K412 F424K412-P414 VanDerWaalsContact O-CD 3.22Å; K412-P414 WeakPolarHBondContact O-CD 3.44Å; P414-F424 WeakPolarHBondContact CD-O 3.35Å
415F83.3Confident82.5Confident58 Ų5864.7 Ų64.725%0.25438%0.375SS..EExtended strand (participates in β ladder)trans-125.386.3-176.5-54.7-72.1000109F404 K413 F424 R426 N427 L430F404-F415 HydrophobicContact CE1-CE2 4.34Å; K413-F415 PolarHBondContact O-N 2.91Å; K413-F415 VanDerWaalsContact O-N 3.12Å; F415-F424 HydrophobicContact CB-CB 4.43Å; F415-F424 PolarHBondContact N-O 3.18Å; F415-F424 WeakPolarHBondContact O-CD2 3.39Å; F415-F424 PolarHBondContact O-N 2.77Å; F415-R426 VanDerWaalsContact CD2-C 3.45Å; F415-N427 HydrophobicContact CD1-CB 3.91Å; F415-N427 HydrophobicContact CD2-CB 4.4Å; F415-N427 VanDerWaalsContact CD2-N 3.32Å; F415-N427 HydrophobicContact CE1-CB 3.82Å; F415-N427 HydrophobicContact CE2-CB 4.32Å; F415-N427 HydrophobicContact CG-CB 4.2Å; F415-N427 HydrophobicContact CZ-CB 4.03Å; F415-L430 HydrophobicContact CB-CB 4.2Å; F415-L430 HydrophobicContact CB-CD2 3.83Å
416T85.8Confident82.4Confident92 Ų9269.4 Ų69.456%0.56439%0.391SS*.EExtended strand (participates in β ladder)trans-79.7148.8172.245.90000111.3L430T416-L430 WeakPolarHBondContact O-CD2 3.38Å
417C89.4Confident82.4Confident3 Ų371.6 Ų71.62%0.0240%0.403CS..  trans-85.6119.8169.4-175.30000110T419 C420 G421 K422 F424 L430 H438C417-T419 PolarHBondContact O-N 3.35Å; C417-C420 PolarHBondContact O-N 2.82Å; C417-G421 WeakPolarHBondContact O-CA 3.25Å; C417-G421 PolarHBondContact O-N 3.07Å; C417-K422 PolarHBondContact N-O 3.1Å; C417-F424 HydrophobicContact CB-CE2 4.38Å; C417-L430 HydrophobicContact CB-CD1 3.55Å; C417-H438 PolarHBondContact SG-CD2 3.27Å; C417-H438 PolarHBondContact SG-NE2 3.04Å; C417-H438 VanDerWaalsContact SG-NE2 3.44Å
418A84.5Confident82.5Confident110 Ų11077.1 Ų77.191%0.90943%0.427SS*.THydrogen-bonded Turntrans-58.7-34178.400000112.9
419T84.5Confident82.8Confident100 Ų10075.3 Ų75.361%0.61342%0.415SS*.THydrogen-bonded Turntrans-80.1-17.6-175.2-30.90000114.2C417 H438C417-T419 PolarHBondContact O-N 3.35Å; T419-H438 HydrophobicContact CG2-CB 4.49Å; T419-H438 WeakPolarHBondContact CG2-ND1 3.33Å
420C88.3Confident83.2Confident49 Ų4973.4 Ų73.433%0.33141%0.406SS..THydrogen-bonded Turntrans-149.811.1-175.173.80000115.8C417 K422 H433 H438C417-C420 PolarHBondContact O-N 2.82Å; C420-K422 PolarHBondContact O-N 3Å; C420-H433 PolarHBondContact SG-NE2 2.79Å; C420-H438 PolarHBondContact SG-NE2 2.88Å; C420-H438 VanDerWaalsContact SG-NE2 3.44Å
421G82.6Confident83.6Confident53 Ų5376.2 Ų76.255%0.54642%0.415SS..  trans69.4-19.9-179.900000116.4C417 G423C417-G421 WeakPolarHBondContact O-CA 3.25Å; C417-G421 PolarHBondContact O-N 3.07Å; G421-G423 PolarHBondContact O-N 2.68Å
422K84.9Confident84.4Confident131 Ų13176.7 Ų76.757%0.5741%0.412SS*.  trans-57.4123.2-171-67.6-179.6-178.3179.30112C417 C420 F424C417-K422 PolarHBondContact N-O 3.1Å; C420-K422 PolarHBondContact O-N 3Å; K422-F424 HydrophobicContact CB-CE2 4.02Å; K422-F424 HydrophobicContact CB-CZ 4.18Å; K422-F424 WeakPolarHBondContact O-CD2 3.28Å; K422-F424 WeakPolarHBondContact O-CE2 3.45Å
423G84.8Confident85Confident29 Ų2972 Ų7230%0.29939%0.392SS..EExtended strand (participates in β ladder)trans-91.1135.7-177.500000113.7G421G421-G423 PolarHBondContact O-N 2.68Å
424F82.9Confident85.4Confident43 Ų4369.5 Ų69.519%0.18939%0.385CS..EExtended strand (participates in β ladder)trans-122.8145.1179.3-59.8-87.9000112.1K413 P414 F415 C417 K422 R426 D429 L430 H433K413-F424 CarbonylContact C-O 3.2Å; P414-F424 WeakPolarHBondContact CD-O 3.35Å; F415-F424 HydrophobicContact CB-CB 4.43Å; F415-F424 PolarHBondContact N-O 3.18Å; F415-F424 WeakPolarHBondContact O-CD2 3.39Å; F415-F424 PolarHBondContact O-N 2.77Å; C417-F424 HydrophobicContact CB-CE2 4.38Å; K422-F424 HydrophobicContact CB-CE2 4.02Å; K422-F424 HydrophobicContact CB-CZ 4.18Å; K422-F424 WeakPolarHBondContact O-CD2 3.28Å; K422-F424 WeakPolarHBondContact O-CE2 3.45Å; F424-R426 VanDerWaalsContact C-N 3.32Å; F424-R426 PolarHBondContact O-N 2.96Å; F424-D429 HydrophobicContact CB-CB 4.37Å; F424-D429 HydrophobicContact CD1-CB 3.86Å; F424-D429 HydrophobicContact CG-CB 4.38Å; F424-L430 HydrophobicContact CB-CB 4.24Å; F424-L430 HydrophobicContact CD2-CB 3.84Å; F424-L430 HydrophobicContact CD2-CD1 3.82Å; F424-L430 HydrophobicContact CD2-CG 4.42Å; F424-L430 HydrophobicContact CE2-CD1 3.98Å; F424-L430 HydrophobicContact CG-CB 4.17Å; F424-H433 HydrophobicContact CE1-CB 4.03Å; F424-H433 HydrophobicContact CE2-CB 4Å; F424-H433 AromaticContact CE2-CD2 3.78Å; F424-H433 AromaticContact CE2-CG 3.79Å; F424-H433 HydrophobicContact CZ-CB 3.51Å; F424-H433 AromaticContact CZ-CD2 3.78Å; F424-H433 AromaticContact CZ-CG 3.33Å; F424-H433 AromaticContact CZ-ND1 3.63Å
425C81.4Confident85.7Confident25 Ų2575 Ų7517%0.16940%0.396CS..SBendtrans-78-14.7177.8-56.80000113.6F404 H407F404-C425 WeakPolarHBondContact CD1-O 3.5Å; H407-C425 HydrophobicContact CB-CB 3.86Å; H407-C425 PolarHBondContact ND1-O 3.47Å
426R81.4Confident85.9Confident122 Ų12279.7 Ų79.746%0.4642%0.416SS..SBendtrans-138.2138.5-179.7-51.6179.7-62.8-164.92.4111.5F404 F415 F424 F428 D429 L430F404-R426 HydrophobicContact CB-CG 4.11Å; F404-R426 HydrophobicContact CD1-CG 3.95Å; F404-R426 HydrophobicContact CD2-CG 4.43Å; F404-R426 HydrophobicContact CE1-CG 4.5Å; F404-R426 HydrophobicContact CG-CG 3.93Å; F415-R426 VanDerWaalsContact CD2-C 3.45Å; F424-R426 VanDerWaalsContact C-N 3.32Å; F424-R426 PolarHBondContact O-N 2.96Å; R426-F428 PolarHBondContact O-N 3.05Å; R426-D429 WeakPolarHBondContact CB-OD2 3.44Å; R426-D429 IonicContact CZ-OD1 3.76Å; R426-D429 IonicContact CZ-OD2 2.7Å; R426-D429 VanDerWaalsContact CZ-OD2 3.23Å; R426-D429 IonicContact NE-OD1 2.81Å; R426-D429 IonicContact NE-OD2 3.07Å; R426-D429 PolarHBondContact NE-OD2 2.95Å; R426-D429 VanDerWaalsContact NH2-CG 3.27Å; R426-D429 IonicContact NH2-OD1 2.93Å; R426-D429 PolarHBondContact NH2-OD1 2.99Å; R426-D429 IonicContact NH2-OD2 3.23Å; R426-D429 PolarHBondContact NH2-OD2 3.29Å; R426-D429 PolarHBondContact O-N 2.9Å; R426-D429 VanDerWaalsContact O-N 3.12Å; R426-L430 PolarHBondContact O-N 3.44Å
427N84.8Confident85.8Confident58 Ų5880.4 Ų80.431%0.3142%0.416SS..Hα-helixtrans-60.4-29178.4-170-102.1000113.7F415 K431F415-N427 HydrophobicContact CD1-CB 3.91Å; F415-N427 HydrophobicContact CD2-CB 4.4Å; F415-N427 VanDerWaalsContact CD2-N 3.32Å; F415-N427 HydrophobicContact CE1-CB 3.82Å; F415-N427 HydrophobicContact CE2-CB 4.32Å; F415-N427 HydrophobicContact CG-CB 4.2Å; F415-N427 HydrophobicContact CZ-CB 4.03Å; N427-K431 PolarHBondContact O-N 2.96Å; N427-K431 WeakPolarHBondContact OD1-CD 3.44Å; N427-K431 VanDerWaalsContact OD1-CE 3.22Å; N427-K431 WeakPolarHBondContact OD1-CE 3.38Å; N427-K431 PolarHBondContact OD1-NZ 3.18Å
428F86.1Confident85.4Confident146 Ų14681.8 Ų81.864%0.6442%0.422SS*.Hα-helixtrans-65.5-40.2175.9178.3-95.2000112.3R426 K431 K432R426-F428 PolarHBondContact O-N 3.05Å; F428-K431 PolarHBondContact O-N 3.09Å; F428-K432 HydrophobicContact CE1-CD 4.33Å; F428-K432 WeakPolarHBondContact O-CB 3.16Å; F428-K432 PolarHBondContact O-N 3.03Å
429D86.4Confident84.9Confident41 Ų4181.3 Ų81.322%0.21940%0.404CS..Hα-helixtrans-69.6-40.4179-57.5-42.6000110.5F424 R426 K431 K432 H433F424-D429 HydrophobicContact CB-CB 4.37Å; F424-D429 HydrophobicContact CD1-CB 3.86Å; F424-D429 HydrophobicContact CG-CB 4.38Å; R426-D429 WeakPolarHBondContact CB-OD2 3.44Å; R426-D429 IonicContact CZ-OD1 3.76Å; R426-D429 IonicContact CZ-OD2 2.7Å; R426-D429 VanDerWaalsContact CZ-OD2 3.23Å; R426-D429 IonicContact NE-OD1 2.81Å; R426-D429 IonicContact NE-OD2 3.07Å; R426-D429 PolarHBondContact NE-OD2 2.95Å; R426-D429 VanDerWaalsContact NH2-CG 3.27Å; R426-D429 IonicContact NH2-OD1 2.93Å; R426-D429 PolarHBondContact NH2-OD1 2.99Å; R426-D429 IonicContact NH2-OD2 3.23Å; R426-D429 PolarHBondContact NH2-OD2 3.29Å; R426-D429 PolarHBondContact O-N 2.9Å; R426-D429 VanDerWaalsContact O-N 3.12Å; D429-K431 PolarHBondContact O-N 2.92Å; D429-K432 PolarHBondContact O-N 2.77Å; D429-H433 VanDerWaalsContact O-CB 3.32Å; D429-H433 WeakPolarHBondContact O-CB 3.36Å; D429-H433 PolarHBondContact O-N 3.14Å
430L88.3Confident83.6Confident23 Ų2381.4 Ų81.412%0.1241%0.41CS..Hα-helixtrans-57.2-48.3170.6172.460.8000111.5F415 T416 C417 F424 R426 K432 H433 V434F415-L430 HydrophobicContact CB-CB 4.2Å; F415-L430 HydrophobicContact CB-CD2 3.83Å; T416-L430 WeakPolarHBondContact O-CD2 3.38Å; C417-L430 HydrophobicContact CB-CD1 3.55Å; F424-L430 HydrophobicContact CB-CB 4.24Å; F424-L430 HydrophobicContact CD2-CB 3.84Å; F424-L430 HydrophobicContact CD2-CD1 3.82Å; F424-L430 HydrophobicContact CD2-CG 4.42Å; F424-L430 HydrophobicContact CE2-CD1 3.98Å; F424-L430 HydrophobicContact CG-CB 4.17Å; R426-L430 PolarHBondContact O-N 3.44Å; L430-K432 VanDerWaalsContact C-N 3.33Å; L430-K432 PolarHBondContact O-N 3.28Å; L430-H433 WeakPolarHBondContact O-CB 3.39Å; L430-H433 PolarHBondContact O-N 3.01Å; L430-V434 HydrophobicContact CD1-CG2 3.85Å; L430-V434 HydrophobicContact CG-CG2 4.44Å; L430-V434 WeakPolarHBondContact O-CB 3.43Å; L430-V434 WeakPolarHBondContact O-CG2 3.23Å; L430-V434 PolarHBondContact O-N 3.28Å
431K87.4Confident81.9Confident127 Ų12784 Ų8455%0.55242%0.424SS*.Hα-helixtrans-64.3-35.4177.8-79.3173.8172.1156.70113N427 F428 D429 R435N427-K431 PolarHBondContact O-N 2.96Å; N427-K431 WeakPolarHBondContact OD1-CD 3.44Å; N427-K431 VanDerWaalsContact OD1-CE 3.22Å; N427-K431 WeakPolarHBondContact OD1-CE 3.38Å; N427-K431 PolarHBondContact OD1-NZ 3.18Å; F428-K431 PolarHBondContact O-N 3.09Å; D429-K431 PolarHBondContact O-N 2.92Å; K431-R435 VanDerWaalsContact O-CB 3.31Å; K431-R435 WeakPolarHBondContact O-CB 3.49Å; K431-R435 PolarHBondContact O-N 2.77Å
432K88.6Confident80.1Confident114 Ų11484 Ų8450%0.49642%0.424SS..Hα-helixtrans-70.6-33.6174.2-176.5178.4176.1-175.90112.1F428 D429 L430 K436F428-K432 HydrophobicContact CE1-CD 4.33Å; F428-K432 WeakPolarHBondContact O-CB 3.16Å; F428-K432 PolarHBondContact O-N 3.03Å; D429-K432 PolarHBondContact O-N 2.77Å; L430-K432 VanDerWaalsContact C-N 3.33Å; L430-K432 PolarHBondContact O-N 3.28Å; K432-K436 HydrophobicContact CG-CD 4.4Å; K432-K436 WeakPolarHBondContact O-CB 3.3Å; K432-K436 WeakPolarHBondContact O-CG 3.46Å; K432-K436 PolarHBondContact O-N 3.31Å
433H88.5Confident78Confident25 Ų2584.2 Ų84.212%0.11644%0.438CS..Hα-helixtrans-67.8-53.9173.4170.879.6000110.9C420 F424 D429 L430 R435 K436 L437 H438C420-H433 PolarHBondContact SG-NE2 2.79Å; F424-H433 HydrophobicContact CE1-CB 4.03Å; F424-H433 HydrophobicContact CE2-CB 4Å; F424-H433 AromaticContact CE2-CD2 3.78Å; F424-H433 AromaticContact CE2-CG 3.79Å; F424-H433 HydrophobicContact CZ-CB 3.51Å; F424-H433 AromaticContact CZ-CD2 3.78Å; F424-H433 AromaticContact CZ-CG 3.33Å; F424-H433 AromaticContact CZ-ND1 3.63Å; D429-H433 VanDerWaalsContact O-CB 3.32Å; D429-H433 WeakPolarHBondContact O-CB 3.36Å; D429-H433 PolarHBondContact O-N 3.14Å; L430-H433 WeakPolarHBondContact O-CB 3.39Å; L430-H433 PolarHBondContact O-N 3.01Å; H433-R435 PolarHBondContact O-N 2.8Å; H433-K436 PolarHBondContact O-N 2.82Å; H433-L437 WeakPolarHBondContact ND1-CD1 3.22Å; H433-L437 PolarHBondContact O-N 3.39Å; H433-H438 AromaticContact CD2-CD2 3.89Å; H433-H438 AromaticContact CD2-NE2 3.83Å; H433-H438 AromaticContact NE2-CD2 3.66Å; H433-H438 AromaticContact NE2-NE2 3.13Å; H433-H438 PolarHBondContact NE2-NE2 3.11Å; H433-H438 VanDerWaalsContact NE2-NE2 3.13Å
434V88.1Confident75.8Confident39 Ų3987.1 Ų87.124%0.23646%0.459CS..Hα-helixtrans-54.5-49.3176.6168.90000110.9L430 K436 L437 H438 D439L430-V434 HydrophobicContact CD1-CG2 3.85Å; L430-V434 HydrophobicContact CG-CG2 4.44Å; L430-V434 WeakPolarHBondContact O-CB 3.43Å; L430-V434 WeakPolarHBondContact O-CG2 3.23Å; L430-V434 PolarHBondContact O-N 3.28Å; V434-K436 PolarHBondContact O-N 3.39Å; V434-K436 VanDerWaalsContact O-N 3.15Å; V434-L437 PolarHBondContact O-N 3.46Å; V434-H438 HydrophobicContact CG1-CB 4.33Å; V434-H438 CarbonylContact O-C 3.57Å; V434-H438 WeakPolarHBondContact O-CA 3.12Å; V434-H438 PolarHBondContact O-N 3.1Å; V434-D439 VanDerWaalsContact CG1-OD1 3.27Å; V434-D439 WeakPolarHBondContact CG1-OD1 3.22Å; V434-D439 PolarHBondContact O-N 3Å
435R87.9Confident73.7Confident188 Ų18889.1 Ų89.171%0.70948%0.484SS*.Hα-helixtrans-61.4-26176.7-169.6178.1-61.31700.1115.6K431 H433 D439K431-R435 VanDerWaalsContact O-CB 3.31Å; K431-R435 WeakPolarHBondContact O-CB 3.49Å; K431-R435 PolarHBondContact O-N 2.77Å; H433-R435 PolarHBondContact O-N 2.8Å; R435-D439 VanDerWaalsContact CA-OD2 3.25Å; R435-D439 WeakPolarHBondContact CA-OD2 3.5Å; R435-D439 WeakPolarHBondContact CB-OD2 3.48Å; R435-D439 WeakPolarHBondContact CG-OD2 3.16Å
436K86.4Confident71.5Confident155 Ų15594 Ų9467%0.67452%0.515SS*.Hα-helixtrans-94.3-18.1-177.5-83.1-179.3157.2-77.70114.3K432 H433 V434K432-K436 HydrophobicContact CG-CD 4.4Å; K432-K436 WeakPolarHBondContact O-CB 3.3Å; K432-K436 WeakPolarHBondContact O-CG 3.46Å; K432-K436 PolarHBondContact O-N 3.31Å; H433-K436 PolarHBondContact O-N 2.82Å; V434-K436 PolarHBondContact O-N 3.39Å; V434-K436 VanDerWaalsContact O-N 3.15Å
437L84.4Confident69.4Low107 Ų10792.2 Ų92.256%0.5652%0.521SS*.Hα-helixtrans-138.8-11.3-166.8-66.1170.1000114.4H433 V434H433-L437 WeakPolarHBondContact ND1-CD1 3.22Å; H433-L437 PolarHBondContact O-N 3.39Å; V434-L437 PolarHBondContact O-N 3.46Å
438H81.8Confident67.3Low32 Ų3294.5 Ų94.515%0.14855%0.548CS..THydrogen-bonded Turntrans-132.4-27.9-177.9-57.6-55.9000114C417 T419 C420 H433 V434 S440 V441C417-H438 PolarHBondContact SG-CD2 3.27Å; C417-H438 PolarHBondContact SG-NE2 3.04Å; C417-H438 VanDerWaalsContact SG-NE2 3.44Å; T419-H438 HydrophobicContact CG2-CB 4.49Å; T419-H438 WeakPolarHBondContact CG2-ND1 3.33Å; C420-H438 PolarHBondContact SG-NE2 2.88Å; C420-H438 VanDerWaalsContact SG-NE2 3.44Å; H433-H438 AromaticContact CD2-CD2 3.89Å; H433-H438 AromaticContact CD2-NE2 3.83Å; H433-H438 AromaticContact NE2-CD2 3.66Å; H433-H438 AromaticContact NE2-NE2 3.13Å; H433-H438 PolarHBondContact NE2-NE2 3.11Å; H433-H438 VanDerWaalsContact NE2-NE2 3.13Å; V434-H438 HydrophobicContact CG1-CB 4.33Å; V434-H438 CarbonylContact O-C 3.57Å; V434-H438 WeakPolarHBondContact O-CA 3.12Å; V434-H438 PolarHBondContact O-N 3.1Å; H438-S440 PolarHBondContact O-N 3.11Å; H438-V441 PolarHBondContact O-N 3.45Å
439D72.3Confident65.3Low100 Ų10095.3 Ų95.354%0.53555%0.552SS.*THydrogen-bonded Turntrans-65.2-5.9175.2-75.34.6000113.1V434 R435 V441V434-D439 VanDerWaalsContact CG1-OD1 3.27Å; V434-D439 WeakPolarHBondContact CG1-OD1 3.22Å; V434-D439 PolarHBondContact O-N 3Å; R435-D439 VanDerWaalsContact CA-OD2 3.25Å; R435-D439 WeakPolarHBondContact CA-OD2 3.5Å; R435-D439 WeakPolarHBondContact CB-OD2 3.48Å; R435-D439 WeakPolarHBondContact CG-OD2 3.16Å; D439-V441 VanDerWaalsContact C-N 3.31Å
440S58.5Low63.1Low103 Ų103100.4 Ų100.472%0.7258%0.579SS**THydrogen-bonded Turntrans-80.4-9167.355.30000113.8H438H438-S440 PolarHBondContact O-N 3.11Å
441V52.9Low61Low104 Ų104107.7 Ų107.763%0.6362%0.617SS**SBendtrans-117.894.1173.9-177.30000107.7H438 D439H438-V441 PolarHBondContact O-N 3.45Å; D439-V441 VanDerWaalsContact C-N 3.31Å
442G43.3Very low59Low53 Ų53108.1 Ų108.155%0.54663%0.631SS.*  trans-55153.2163.100000110.1A444G442-A444 PolarHBondContact O-N 3.14Å
443P41.8Very low56.8Low135 Ų135114 Ų11488%0.87765%0.65SS**  trans-56.4109.7-170.923.7-34.3000110.5A445P443-A445 PolarHBondContact O-N 3.35Å; P443-A445 VanDerWaalsContact O-N 3.09Å
444A38.8Very low54.4Low89 Ų89119.5 Ų119.574%0.73669%0.685SS**PPolyproline II helixtrans-58.8117.2-179.200000108.9G442G442-A444 PolarHBondContact O-N 3.14Å
445A37.7Very low52.3Low86 Ų86123.4 Ų123.471%0.71171%0.709SS**PPolyproline II helixtrans-61139.9171.600000108.7P443 S447P443-A445 PolarHBondContact O-N 3.35Å; P443-A445 VanDerWaalsContact O-N 3.09Å; A445-S447 PolarHBondContact O-N 3.3Å
446P37Very low50.3Low126 Ų126122.8 Ų122.882%0.81871%0.714SS**PPolyproline II helixtrans-58.9126.4177.324.6-33.2000109.6A448P446-A448 PolarHBondContact O-N 2.78Å
447S35.7Very low48.1Very low85 Ų85124.4 Ų124.459%0.59475%0.745SS**PPolyproline II helixtrans-64.5116.7179.9169.30000110.1A445 K449A445-S447 PolarHBondContact O-N 3.3Å; S447-K449 VanDerWaalsContact C-N 3.29Å; S447-K449 PolarHBondContact O-N 3.37Å
448A41.8Very low46.3Very low106 Ų106125.3 Ų125.388%0.87675%0.754SS**THydrogen-bonded Turntrans-74.977.3177.300000111.2P446P446-A448 PolarHBondContact O-N 2.78Å
449K43.9Very low44.4Very low163 Ų163130.2 Ų130.271%0.70979%0.786SS**THydrogen-bonded Turntrans-134.7-16.5178.3-71.2-164.9173.3-170.20116.5S447S447-K449 VanDerWaalsContact C-N 3.29Å; S447-K449 PolarHBondContact O-N 3.37Å
450D39.6Very low42.8Very low148 Ų148131.9 Ų131.979%0.79180%0.8SS**SBendtrans-107.439.2-168.6-60.3-58.4000115.2
451L43.6Very low41.9Very low176 Ų176133.6 Ų133.692%0.92181%0.805SS**SBendtrans-140.828175-86.4-176.1000115.2
452T47.1Very low41.2Very low137 Ų137135.4 Ų135.484%0.8482%0.816SS**SBendtrans-131.626.4178.549.70000115.3
453R41.2Very low41.1Very low238 Ų238140.9 Ų140.990%0.89883%0.834SS**  trans-155.775.9166.5-161.3173173.3162.8-2.6116.4
454T38.8Very low41Very low139 Ų139141.4 Ų141.485%0.85383%0.83SS**  trans-137.3108.9140-48.20000108.5
455V44Very low41.2Very low122 Ų122145.4 Ų145.474%0.73984%0.838SS**  trans-114.7158.1171.6165.80000106.4
456Q45.3Very low41.5Very low175 Ų175150.3 Ų150.382%0.81885%0.848SS**  trans71.9141.8-170.3-62.6144.5-13.800113.2
457S39.9Very low41.9Very low189 Ų189152.5 Ų152.5100%1.32285%0.851SS**  cis-94.304.259.40000113.8

Retrieved 457 of 457 residues in 60.5 ms (Link to these results)