A0A087XLX3_POEFO Loading...

Proline-rich coiled-coil 1

AlphaFold DB , UniProt , Accession A0A087XLX3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 458 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.4Very low43.3Very low235 Ų235118.7 Ų118.7100%1.15870%0.695SS**  092.40-85.3-176.817200105.7
2D37.6Very low44.1Very low154 Ų154117 Ų11782%0.82468%0.68SS**  trans-83.2139-168.6-65.4-89.7000111.7
3I43Very low44Very low160 Ų160117.5 Ų117.582%0.82167%0.672SS**  trans-13668.5170-48.9179.1000107.8
4S46.4Very low44.7Very low105 Ų105116.6 Ų116.673%0.73466%0.664SS**  trans-142.44.8176.8-64.50000114.8
5A45.5Very low45Very low67 Ų67113.2 Ų113.255%0.55465%0.65SS**  trans-83.2-39.9-174.900000117.3V7A5-V7 VanDerWaalsContact C-N 3.33Å; A5-V7 PolarHBondContact O-N 3.29Å; A5-V7 VanDerWaalsContact O-N 3.15Å
6P37.8Very low45.4Very low79 Ų79115.2 Ų115.251%0.51365%0.649SS.*Hα-helixtrans-74.7-15.2-157.527.5-35.4000115.8S10P6-S10 PolarHBondContact O-N 3.34Å; P6-S10 PolarHBondContact O-OG 3.37Å
7V45.7Very low46.3Very low123 Ų123113.2 Ų113.275%0.74564%0.639SS**Hα-helixtrans-82.1-39.3-174.9-176.90000112.2A5A5-V7 VanDerWaalsContact C-N 3.33Å; A5-V7 PolarHBondContact O-N 3.29Å; A5-V7 VanDerWaalsContact O-N 3.15Å
8L44.2Very low46.8Very low137 Ų137109.1 Ų109.172%0.71762%0.622SS**Hα-helixtrans-71.8-38.7177.7-85162.3000112S10 G11 L12L8-S10 VanDerWaalsContact C-N 3.35Å; L8-S10 PolarHBondContact O-N 2.81Å; L8-G11 PolarHBondContact O-N 3.39Å; L8-L12 PolarHBondContact O-N 3.22Å; L8-L12 VanDerWaalsContact O-N 3.16Å
9E40.6Very low47.3Very low127 Ų127110.5 Ų110.559%0.59362%0.621SS**Hα-helixtrans-63.4-41.1179.1-163.1166.5-163.800111.4G11 L12 Q13E9-G11 PolarHBondContact O-N 3.44Å; E9-L12 PolarHBondContact O-N 3.13Å; E9-Q13 WeakPolarHBondContact O-CB 3.21Å; E9-Q13 PolarHBondContact O-N 3.41Å
10S50.4Low47.6Very low72 Ų72112.6 Ų112.650%0.50362%0.622SS.*Hα-helixtrans-62.3-38.5176.9-59.80000113.5P6 L8 L14P6-S10 PolarHBondContact O-N 3.34Å; P6-S10 PolarHBondContact O-OG 3.37Å; L8-S10 VanDerWaalsContact C-N 3.35Å; L8-S10 PolarHBondContact O-N 2.81Å; S10-L14 PolarHBondContact O-N 3.02Å
11G49.3Very low48.2Very low47 Ų47113.6 Ų113.649%0.48562%0.624SS.*Hα-helixtrans-70.8-39.9177.800000113L8 E9 L14 S15L8-G11 PolarHBondContact O-N 3.39Å; E9-G11 PolarHBondContact O-N 3.44Å; G11-L14 PolarHBondContact O-N 3.33Å; G11-S15 PolarHBondContact O-N 2.99Å
12L52.8Low49.3Very low98 Ų98108.9 Ų108.951%0.51360%0.601SS.*Hα-helixtrans-66.4-39.5173.6-70.5169.8000111.5L8 E9 L14 S15 F16L8-L12 PolarHBondContact O-N 3.22Å; L8-L12 VanDerWaalsContact O-N 3.16Å; E9-L12 PolarHBondContact O-N 3.13Å; L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L14 PolarHBondContact O-N 3.43Å; L12-S15 PolarHBondContact O-N 3.45Å; L12-S15 PolarHBondContact O-OG 3.03Å; L12-F16 WeakPolarHBondContact O-CD2 3.44Å; L12-F16 PolarHBondContact O-N 3.02Å
13Q42Very low50Low124 Ų124109.2 Ų109.258%0.57960%0.598SS**Hα-helixtrans-58.8-42.8177.7-145.278.90.900111.8E9 V17E9-Q13 WeakPolarHBondContact O-CB 3.21Å; E9-Q13 PolarHBondContact O-N 3.41Å; Q13-V17 WeakPolarHBondContact O-CG2 3.27Å; Q13-V17 PolarHBondContact O-N 2.99Å; Q13-V17 VanDerWaalsContact O-N 3.09Å
14L54.3Low50.4Low105 Ų105109.4 Ų109.455%0.5560%0.595SS.*Hα-helixtrans-65.9-42.1176-102.290.1000112.6S10 G11 L12 F16 V17 A18S10-L14 PolarHBondContact O-N 3.02Å; G11-L14 PolarHBondContact O-N 3.33Å; L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L14 PolarHBondContact O-N 3.43Å; L14-F16 VanDerWaalsContact C-N 3.32Å; L14-F16 PolarHBondContact O-N 3.16Å; L14-V17 PolarHBondContact O-N 3.08Å; L14-A18 PolarHBondContact O-N 3.34Å
15S49.3Very low50.7Low65 Ų65108.8 Ų108.846%0.45559%0.591SS.*Hα-helixtrans-66.1-35.1179.670.90000112.2G11 L12 K19G11-S15 PolarHBondContact O-N 2.99Å; L12-S15 PolarHBondContact O-N 3.45Å; L12-S15 PolarHBondContact O-OG 3.03Å; S15-K19 WeakPolarHBondContact O-CB 3.34Å; S15-K19 PolarHBondContact O-N 3.06Å
16F50.9Low50.5Low145 Ų145109 Ų10964%0.63660%0.6SS**Hα-helixtrans-67.3-38.1171.7-89.4-75.8000113.2L12 L14 K20L12-F16 WeakPolarHBondContact O-CD2 3.44Å; L12-F16 PolarHBondContact O-N 3.02Å; L14-F16 VanDerWaalsContact C-N 3.32Å; L14-F16 PolarHBondContact O-N 3.16Å; F16-K20 VanDerWaalsContact O-CB 3.27Å; F16-K20 WeakPolarHBondContact O-CB 3.39Å; F16-K20 PolarHBondContact O-N 2.71Å
17V60.7Low50.8Low81 Ų81113.1 Ų113.149%0.49162%0.616SS.*Hα-helixtrans-66.7-45.2175.4170.70000111.1Q13 L14 K19 K20 M21Q13-V17 WeakPolarHBondContact O-CG2 3.27Å; Q13-V17 PolarHBondContact O-N 2.99Å; Q13-V17 VanDerWaalsContact O-N 3.09Å; L14-V17 PolarHBondContact O-N 3.08Å; V17-K19 PolarHBondContact O-N 3.47Å; V17-K20 PolarHBondContact O-N 2.89Å; V17-M21 HydrophobicContact CG1-SD 4.38Å; V17-M21 PolarHBondContact O-N 3.32Å
18A55.7Low50.4Low40 Ų40116 Ų11633%0.33162%0.621SS.*Hα-helixtrans-60.2-46.7176.200000111.8L14 K20 M21 M22L14-A18 PolarHBondContact O-N 3.34Å; A18-K20 VanDerWaalsContact C-N 3.34Å; A18-K20 PolarHBondContact O-N 3.38Å; A18-M21 PolarHBondContact O-N 2.88Å; A18-M22 PolarHBondContact O-N 2.92Å
19K56.2Low50Low136 Ų136116 Ų11659%0.59163%0.627SS**Hα-helixtrans-61.3-40.9176.6-171.7170.8-177.8173.80112.2S15 V17 M22 E23S15-K19 WeakPolarHBondContact O-CB 3.34Å; S15-K19 PolarHBondContact O-N 3.06Å; V17-K19 PolarHBondContact O-N 3.47Å; K19-M22 PolarHBondContact O-N 2.97Å; K19-E23 PolarHBondContact O-N 3.44Å
20K54.3Low49.9Very low151 Ų151115.2 Ų115.266%0.65763%0.631SS**Hα-helixtrans-67-37.8178.4-173174.7179.5-1790112.9F16 V17 A18 M22 E23 E24F16-K20 VanDerWaalsContact O-CB 3.27Å; F16-K20 WeakPolarHBondContact O-CB 3.39Å; F16-K20 PolarHBondContact O-N 2.71Å; V17-K20 PolarHBondContact O-N 2.89Å; A18-K20 VanDerWaalsContact C-N 3.34Å; A18-K20 PolarHBondContact O-N 3.38Å; K20-M22 VanDerWaalsContact C-N 3.27Å; K20-M22 PolarHBondContact O-N 3.47Å; K20-E23 PolarHBondContact O-N 2.74Å; K20-E24 PolarHBondContact O-N 3.07Å
21M58.8Low49.4Very low134 Ų134116.8 Ų116.866%0.6664%0.64SS**Hα-helixtrans-68.4-26175.5-75.3-175.2159.900113.1V17 A18V17-M21 HydrophobicContact CG1-SD 4.38Å; V17-M21 PolarHBondContact O-N 3.32Å; A18-M21 PolarHBondContact O-N 2.88Å
22M59.7Low49Very low136 Ų136120.7 Ų120.767%0.6766%0.657SS**Hα-helixtrans-77.9-32.5175.9-167.5165.265.700112.9A18 K19 K20A18-M22 PolarHBondContact O-N 2.92Å; K19-M22 PolarHBondContact O-N 2.97Å; K20-M22 VanDerWaalsContact C-N 3.27Å; K20-M22 PolarHBondContact O-N 3.47Å
23E52.8Low48.2Very low162 Ų162122.8 Ų122.876%0.75767%0.673SS**Hα-helixtrans-75-23.6-180-162.2173.1152.200113.4K19 K20K19-E23 PolarHBondContact O-N 3.44Å; K20-E23 PolarHBondContact O-N 2.74Å
24E50.7Low47.8Very low163 Ų163121.8 Ų121.876%0.76268%0.68SS**SBendtrans-80.8-19.1178-164.8172.9169.100113.3K20 G26K20-E24 PolarHBondContact O-N 3.07Å; E24-G26 PolarHBondContact O-N 2.98Å
25S52.5Low47.1Very low92 Ų92122.3 Ų122.364%0.64369%0.69SS**  trans-84.354.3-178.5-65.70000113.2I27S25-I27 PolarHBondContact O-N 3.48Å; S25-I27 VanDerWaalsContact O-N 3.13Å
26G42.3Very low46.5Very low73 Ų73125.4 Ų125.475%0.75371%0.706SS**  trans-71.1100.8175.600000112.5E24E24-G26 PolarHBondContact O-N 2.98Å
27I42.7Very low45.9Very low164 Ų164124.2 Ų124.284%0.84171%0.712SS**  trans-101113164.555.1168.2000110.8S25 T29S25-I27 PolarHBondContact O-N 3.48Å; S25-I27 VanDerWaalsContact O-N 3.13Å; I27-T29 PolarHBondContact O-N 3.32Å
28E38.9Very low44.4Very low184 Ų184128.9 Ų128.986%0.8673%0.734SS**  trans-68.5109.4-179.5-170.6169.7122.100110.6T30E28-T30 PolarHBondContact O-N 3.13Å
29T35Very low43.4Very low137 Ų137132.8 Ų132.884%0.8476%0.758SS**  trans-82.7115.7-178.8-151.40000110.7I27I27-T29 PolarHBondContact O-N 3.32Å
30T39.1Very low43.5Very low110 Ų110132.1 Ų132.168%0.67577%0.768SS**PPolyproline II helixtrans-100.3125.5171.7-56.30000108.9E28E28-T30 PolarHBondContact O-N 3.13Å
31P40.1Very low42.3Very low106 Ų106129.9 Ų129.969%0.68878%0.778SS**PPolyproline II helixtrans-73.4140.1-176.129-34.6000112.1
32P41Very low41Very low129 Ų129127.9 Ų127.984%0.83878%0.782SS**PPolyproline II helixtrans-74.1142.5175.529.8-33.8000112.3
33V36.3Very low39.7Very low142 Ų142127.1 Ų127.186%0.86179%0.791SS**PPolyproline II helixtrans-73.5136.5179.3176.10000111.3
34S31.6Very low38.6Very low102 Ų102123.9 Ų123.971%0.71379%0.792SS**PPolyproline II helixtrans-85.6134.1178.8-170.30000112.4
35P40Very low37.7Very low117 Ų117121.9 Ų121.976%0.7680%0.795SS**PPolyproline II helixtrans-85.7138178.532.9-33.2000113.3
36T37.9Very low36.8Very low130 Ų130125 Ų12580%0.79880%0.803SS**PPolyproline II helixtrans-83.9143.4179-40.20000111.9
37P36.7Very low37Very low119 Ų119127.1 Ų127.177%0.77380%0.804SS**PPolyproline II helixtrans-80.5147.5-179.931.8-35.9000113.7
38L31Very low37.3Very low180 Ų180124.2 Ų124.294%0.94280%0.796SS**  trans-104.6145.6171.3-80.4166.5000111.7
39S32.8Very low37.2Very low121 Ų121123.2 Ų123.285%0.84680%0.795SS**  trans-99.9167.3-177.1-940000113.5
40P59.2Low37.2Very low123 Ų123121.9 Ų121.980%0.79979%0.787SS**  trans-101.2160.8-156.138.4-36.5000116.1
41A28.8Very low36.9Very low103 Ų103122.7 Ų122.785%0.85180%0.797SS**  trans-153.699.2165.600000115
42A32.6Very low36.4Very low92 Ų92121 Ų12176%0.7680%0.8SS**  trans29.5127.4136.300000124.9
43S32.1Very low36.1Very low121 Ų121123.2 Ų123.285%0.84680%0.803SS**  103.9148.6117-78.80000124.5
44A29.9Very low35.9Very low94 Ų94121.3 Ų121.378%0.77780%0.796SS**  trans81139.4167.300000118.5
45S30.2Very low35.9Very low120 Ų120121 Ų12184%0.83979%0.794SS**  cis-163.5161.4-14.6-980000111.2
46I35.2Very low35.5Very low158 Ų158123.3 Ų123.381%0.8180%0.795SS**  trans-103.1168.7178.6-2.8174.8000110.5
47P46.4Very low35.3Very low117 Ų117125 Ų12576%0.7679%0.793SS**  -142.7-121.461.332.5-3.7000116.7
48P49.2Very low35Very low104 Ų104124.1 Ų124.168%0.67579%0.79SS**  -142.3179.6-119.345.9-26.2000119.2
49L37.2Very low35.2Very low163 Ų163123.9 Ų123.985%0.85379%0.789SS**  trans177.690149.2-97.8162.7000108.3
50T33.2Very low35Very low108 Ų108124.3 Ų124.366%0.66379%0.792SS**  61.9139.386.475.60000118.8
51S33.5Very low33.5Very low127 Ų127122.2 Ų122.289%0.88879%0.792SS**  trans88.3126165.5-50.50000116.9
52G29.6Very low33.6Very low72 Ų72121.5 Ų121.574%0.74279%0.786SS**  cis-166.7-173.52.400000115.3
53L35.6Very low33.5Very low175 Ų175124.3 Ų124.392%0.91679%0.789SS**  trans-62.1167.8-176.5-76.657.4000112.7
54S31.1Very low33.5Very low101 Ų101123.4 Ų123.471%0.70678%0.783SS**  cis-170.6150.442.460.30000115.9
55S32.2Very low33.9Very low96 Ų96125.6 Ų125.667%0.67178%0.78SS**  trans9.3161.1139.561.10000122.9
56Q31.3Very low34Very low165 Ų165125.2 Ų125.277%0.77177%0.772SS**  cis-175.9157.4-13-104.6-175.4-51.800109.5
57H34.2Very low33.8Very low165 Ų165124.3 Ų124.376%0.76477%0.769SS**  trans69.4141144.5-88.4-100.1000126.7
58S29.3Very low33Very low102 Ų102123.8 Ų123.871%0.71377%0.767SS**  trans80.297.5142.543.40000124.4
59L35.2Very low32.1Very low174 Ų174123.7 Ų123.791%0.91177%0.769SS**  33.8138.1112.6-78.4165.5000123.7
60S29Very low31.7Very low131 Ų131123.1 Ų123.192%0.91677%0.773SS**  trans92.5141.7141.2-153.40000120.2
61G27.4Very low31.7Very low78 Ų78122.8 Ų122.880%0.80477%0.774SS**  trans146.1114.4168.500000113.9
62A32.1Very low31.7Very low88 Ų88124.7 Ų124.773%0.72777%0.773SS**  trans-118.8-178.3-175.100000113.5
63N29.9Very low31.8Very low152 Ų152125.5 Ų125.581%0.81377%0.767SS**  trans103.4127.6165.1-54.9-23.8000115.6
64S31.5Very low31.5Very low102 Ų102124.4 Ų124.471%0.71376%0.762SS**  cis108.9159.414.6-169.60000114
65I37.7Very low31.9Very low139 Ų139124.4 Ų124.471%0.71376%0.762SS**  trans82.5134.5167-45.5-178.6000113.2
66T32.8Very low32.6Very low112 Ų112125.4 Ų125.469%0.68777%0.766SS**  cis-157.5141.935.1-13.40000114.9
67N31.8Very low33.2Very low139 Ų139123.6 Ų123.674%0.74377%0.769SS**  trans47.7158.8130-64.712.5000123.5
68C29Very low33.1Very low107 Ų107120.9 Ų120.972%0.72377%0.769SS**  cis-145.6137.312.9-116.80000108.8
69S30.5Very low33.4Very low101 Ų101123.3 Ų123.371%0.70677%0.772SS**  81.9107.776.3-58.80000117.1
70T29.7Very low33.1Very low152 Ų152122.2 Ų122.293%0.93377%0.767SS**  trans-152.7145.7133.6-17.10000111
71S32.8Very low33.3Very low100 Ų100120.7 Ų120.770%0.69976%0.757SS**  trans-130.8159.3179.253.70000110.5
72I32.1Very low33.8Very low167 Ų167124.1 Ų124.186%0.85676%0.756SS**  trans-179.4144.1137-90.7150.3000111
73S32.4Very low34.2Very low90 Ų90126 Ų12663%0.62976%0.76SS**  trans-45.4150.8173.7173.20000117.6
74N30.4Very low34.4Very low151 Ų151125.3 Ų125.381%0.80775%0.752SS**  -172.1161.8114.6-89.7-8.4000115.9
75S39.1Very low34.4Very low101 Ų101128.7 Ų128.771%0.70675%0.754SS**PPolyproline II helixtrans-75.5166.2-169.847.10000116
76P46.7Very low34.1Very low117 Ų117127.4 Ų127.476%0.7676%0.757SS**PPolyproline II helixtrans-78.1151.5179.533.3-36.8000113.1
77P44.3Very low34.1Very low128 Ų128127.5 Ų127.583%0.83176%0.763SS**PPolyproline II helixtrans-93147.2170.735.1-31.9000113
78S31.9Very low34Very low107 Ų107126.7 Ų126.775%0.74877%0.768SS**  trans-106.6146.5174.3-67.80000111.8
79I34.5Very low34.3Very low154 Ų154129.1 Ų129.179%0.7977%0.773SS**  trans40.9122.1141.9-48.5161.8000119.7
80D29.3Very low34.4Very low151 Ų151131.1 Ų131.181%0.80778%0.781SS**  trans-176.2149.4138-108-28.9000109.8
81S33.4Very low34.8Very low99 Ų99130.1 Ų130.169%0.69278%0.775SS**  cis-160.3166.7-28.519.50000110.5
82L38.9Very low35.6Very low150 Ų150131 Ų13179%0.78578%0.779SS**  trans-74.7167.3179-79.8120.1000114.4
83P40.2Very low35.4Very low126 Ų126129.5 Ų129.582%0.81878%0.781SS**  trans-98.6157.8135.534.4-30.5000112.3
84H32.7Very low35.5Very low139 Ų139130.1 Ų130.164%0.64479%0.786SS**  trans-128.7152-141.1-133.8144.8000113.3
85F32.5Very low35.7Very low172 Ų172131.1 Ų131.175%0.75479%0.789SS**  trans65.2153.6159.9-61-61000117.7
86S30.2Very low35.3Very low112 Ų112132.3 Ų132.378%0.78379%0.787SS**  cis-137.3148.313.2-62.10000113.2
87S33.2Very low34.7Very low114 Ų114132 Ų13280%0.79779%0.787SS**  trans-85.3149165-46.30000111.4
88S29.8Very low34.2Very low122 Ų122133.9 Ų133.985%0.85379%0.785SS**  trans-135.1124.4159.8-73.60000110.3
89L35.9Very low34.7Very low159 Ų159137 Ų13783%0.83279%0.792SS**  trans-69.1147.2169.4-80.666.5000110.1
90T32.5Very low35.3Very low143 Ų143135.1 Ų135.188%0.87779%0.79SS**  -173.4128.8125.217.30000112
91T37.8Very low36Very low131 Ų131133.4 Ų133.480%0.80479%0.787SS**  trans-89.2-177.6158.2500000109.1
92P49.6Very low36.5Very low119 Ų119134.8 Ų134.877%0.77380%0.797SS**  -123.4161.8-64.636.8-24.2000111
93C28.5Very low36.3Very low134 Ų134133 Ų13391%0.90580%0.797SS**  trans-156146.7155.2-141.40000113.8
94S34.9Very low36.5Very low104 Ų104133.3 Ų133.373%0.72780%0.797SS**  trans-77.3160.5-176.2-47.80000112.8
95I33.5Very low36.5Very low171 Ų171134.1 Ų134.188%0.87781%0.805SS**  -168.8132.7120.7-94.1149.9000112.3
96L30.3Very low36.9Very low126 Ų126132 Ų13266%0.6681%0.806SS**  trans-31140.7165.1-167.279.2000118.8Q98L96-Q98 HydrophobicContact CD1-CG 4.49Å; L96-Q98 HydrophobicContact CG-CG 4.47Å
97S34.4Very low37.3Very low110 Ų110133.9 Ų133.977%0.76981%0.806SS**  trans177.495.1132.5-77.50000109.9
98Q35.1Very low38Very low168 Ų168133.4 Ų133.479%0.78580%0.8SS**  6197.892.2-71.7-171.5-15.600115.5L96L96-Q98 HydrophobicContact CD1-CG 4.49Å; L96-Q98 HydrophobicContact CG-CG 4.47Å
99L41.1Very low38.5Very low173 Ų173137 Ų13791%0.90680%0.801SS**PPolyproline II helixtrans-90.6132.5158.7-90.4145.1000109.4
100P46.7Very low39Very low114 Ų114135.5 Ų135.574%0.7480%0.801SS**PPolyproline II helixtrans-81.6154.717233.1-33.5000112.1
101P45.2Very low39.5Very low116 Ų116134.7 Ų134.775%0.75380%0.796SS**PPolyproline II helixtrans-85.8163.6-177.235.4-36.5000113.6
102S44.5Very low39.6Very low128 Ų128133.8 Ų133.890%0.89580%0.795SS**PPolyproline II helixtrans-60.9131.8171.2-50.70000112.3
103S33.5Very low38.8Very low112 Ų112134.1 Ų134.178%0.78380%0.8SS**  trans-122.9130.3169.6-79.60000111.4
104T44.6Very low39.3Very low133 Ų133132.6 Ų132.682%0.81679%0.787SS**  trans-59.9132.4169.8-43.20000111.1
105L32Very low39.6Very low156 Ų156136.7 Ų136.782%0.81779%0.792SS**  trans-136.5118.1158.5-82.5-179.1000112.1
106V41.4Very low40.4Very low127 Ų127133.8 Ų133.877%0.7778%0.784SS**  trans-70.1137.6159.1172.60000108.2
107L39.2Very low41.1Very low151 Ų151133.6 Ų133.679%0.79179%0.79SS**  trans-136.8156.6166.3-81.9178.2000111.6
108P48Very low41.5Very low104 Ų104135.1 Ų135.168%0.67580%0.795SS**  trans-103.3171.6-151.939.9-37.4000115
109F40.7Very low41.8Very low199 Ų199134.5 Ų134.587%0.87380%0.797SS**  trans-55.2148.2164.5-60.3-86.1000112.3
110P46.6Very low42.1Very low126 Ų126131.5 Ų131.582%0.81879%0.79SS**  -128.8162117.236.9-30.9000113.6
111T41.2Very low42.4Very low126 Ų126132 Ų13277%0.77379%0.794SS**  trans-92.3166.6-175.543.90000113.7
112S39.9Very low43Very low113 Ų113132.5 Ų132.579%0.7980%0.797SS**  trans93.3105.4155.6-32.90000118.3
113S34.3Very low43.2Very low126 Ų126134.4 Ų134.488%0.88180%0.796SS**  -173.9170.9113.1-160.30000111
114T38.8Very low44.1Very low101 Ų101134.7 Ų134.762%0.6280%0.795SS**  trans-128.5160.9-152.4-45.20000113.7
115F40.9Very low44.6Very low191 Ų191134.3 Ų134.384%0.83880%0.795SS**  trans82.1157.9165.5-51.9-72.2000118.1
116P50.8Low45.1Very low109 Ų109134.6 Ų134.671%0.70880%0.797SS**  cis-128.6175.6-4235.5-19.1000112.3
117P44.9Very low45.5Very low123 Ų123134.3 Ų134.380%0.79980%0.797SS**  trans-82.3161.7-176.934-36000114.2
118V43Very low45.4Very low142 Ų142132.2 Ų132.286%0.86180%0.795SS**  trans-108.3130.1173.21720000109.7
119D41.5Very low44.8Very low154 Ų154132.7 Ų132.782%0.82480%0.801SS**PPolyproline II helixtrans-76.5149.2-176.9-74-53.9000114.3
120S46.3Very low44.4Very low111 Ų111129.3 Ų129.378%0.77680%0.796SS**PPolyproline II helixtrans-97.8138.1170.9-620000111
121P53.3Low44.1Very low125 Ų125128.5 Ų128.581%0.81279%0.794SS**PPolyproline II helixtrans-76.8139.8176.330.5-33.7000112.3
122P56.9Low44.8Very low126 Ų126128 Ų12882%0.81879%0.792SS**PPolyproline II helixtrans-89.1155.1-176.334.4-35.6000114.7
123L49.9Very low44.4Very low168 Ų168130.2 Ų130.288%0.8880%0.795SS**PPolyproline II helixtrans-72.9146169-76153.3000112
124P51.4Low44.4Very low117 Ų117129.6 Ų129.676%0.7679%0.79SS**PPolyproline II helixtrans-81.4142.8170.132.7-32.9000112
125P55.4Low44.1Very low125 Ų125129.3 Ų129.381%0.81280%0.799SS**PPolyproline II helixtrans-88.7155.6-177.734.6-35.4000114.2
126L43.4Very low43.6Very low163 Ų163125.5 Ų125.585%0.85380%0.802SS**PPolyproline II helixtrans-94.9141173.8-154.684.5000110.9
127P48.9Very low42.7Very low121 Ų121123.6 Ų123.679%0.78680%0.802SS**  trans-111.2145.2159.334.8-27.1000112.6
128S37.5Very low42.3Very low107 Ų107127.2 Ų127.275%0.74881%0.811SS**  trans-102.7164.1-173.9-55.70000113.7
129S35.6Very low41.8Very low113 Ų113125 Ų12579%0.7981%0.808SS**  trans75.8144176.4-140.20000113.5
130V32.3Very low41.6Very low128 Ų128122.1 Ų122.178%0.77681%0.805SS**  cis-151.516127.5-151.90000110.8
131S38.8Very low42Very low109 Ų109122.3 Ų122.376%0.76280%0.803SS**  trans-138.1162.8160.2-670000108.1
132P57.8Low42Very low115 Ų115121.6 Ų121.675%0.74780%0.799SS**  cis-141.1-145.517.242.3-19.8000114.3
133L30.9Very low41.3Very low160 Ų160121.1 Ų121.184%0.83879%0.794SS**  trans95.1134.8178.4-56.2162.6000113.8
134S33.8Very low40.5Very low113 Ų113121.3 Ų121.379%0.7979%0.789SS**  cis-139.414813.7-650000109.5
135A32.6Very low40.7Very low96 Ų96121.1 Ų121.179%0.79379%0.788SS**  cis85.993.443.300000115.9
136A31.2Very low40.8Very low111 Ų111120.6 Ų120.692%0.91779%0.785SS**  trans-177130148.200000109.9
137G30.9Very low40.3Very low68 Ų68121.2 Ų121.270%0.70179%0.786SS**  cis178.2163.7-10.300000112.9
138M37.6Very low40Very low199 Ų199121.9 Ų121.998%0.9879%0.788SS**  trans72.4134.7164.8-53.1-150.7148.200117.6
139A32.7Very low39.8Very low97 Ų97119.7 Ų119.780%0.80278%0.782SS**  cis-149.4153.40.600000113.1
140A36.4Very low39.9Very low92 Ų92124.1 Ų124.176%0.7679%0.787SS**  trans-83.5-174.415700000108.8
141P54.8Low40.4Very low115 Ų115127.2 Ų127.275%0.74779%0.791SS**  cis-147.6-143.920.240.4-14.7000113
142P54.3Low40.3Very low110 Ų110129.2 Ų129.271%0.71480%0.798SS**  -121.7-173.4-54.721.11000113.1
143V40.4Very low39.3Very low117 Ų117129.3 Ų129.371%0.70980%0.802SS**  141104.7126.7170.60000116.4
144H34.7Very low39.6Very low171 Ų171125.9 Ų125.979%0.79280%0.796SS**  trans60.3137141.7-67.4-112.8000124.9
145P55.5Low39.6Very low114 Ų114123.5 Ų123.574%0.7479%0.79SS**  trans-101.8-168.3151.843.1-34.3000110.7
146P56.4Low39.9Very low113 Ų113129.7 Ų129.773%0.73479%0.794SS**  cis-124-165.8-18.538.9-21.5000112.1
147M34.2Very low39.9Very low177 Ų177130.1 Ų130.187%0.87278%0.781SS**  159.3152.8127.3-84-167.784.500115.1
148T41.4Very low40.5Very low135 Ų135135 Ų13583%0.82879%0.789SS**  trans-94156.4171.234.50000112.2
149G34.5Very low40.6Very low61 Ų61130.4 Ų130.463%0.62977%0.773SS**  trans168.7107.9164.100000120.4
150F37.3Very low41Very low205 Ų205135.2 Ų135.290%0.89978%0.778SS**  trans80.5156.4139.3-58.7-71.8000123.8
151F42.3Very low40.9Very low194 Ų194133.9 Ų133.985%0.85177%0.774SS**  trans-100158.6-165.1-66.5-112.8000113
152T36.6Very low40.2Very low150 Ų150137.5 Ų137.592%0.9278%0.78SS**  trans-140.3141.613540.20000110.9
153S36.3Very low39.4Very low118 Ų118136.8 Ų136.883%0.82578%0.784SS**  trans-113139176.3172.40000109.9
154A38.7Very low39.1Very low87 Ų87134.9 Ų134.972%0.71979%0.787SS**  trans-159.1134.2153.200000107.7
155G32.3Very low39.4Very low63 Ų63138.7 Ų138.765%0.64980%0.795SS**  cis126.871.82.900000111.1
156Y38.5Very low38.7Very low226 Ų226138.3 Ų138.389%0.88679%0.791SS**  trans-123.5104.7168.4-37.7-61.8000108.8
157D32Very low37.8Very low121 Ų121139.1 Ų139.165%0.64780%0.796SS**  trans-98126.8169.2168.88.5000107.2T159D157-T159 WeakPolarHBondContact OD1-CG2 3.32Å; D157-T159 PolarHBondContact OD1-N 2.93Å; D157-T159 PolarHBondContact OD1-OG1 2.98Å
158I43.3Very low38.1Very low170 Ų170138.5 Ų138.587%0.87279%0.791SS**  trans-129.182.1157.9-57-177.6000107.9
159T40.6Very low38Very low103 Ų103137.7 Ų137.763%0.63279%0.786SS**  trans-56.9158.6156.333.10000112.1D157D157-T159 WeakPolarHBondContact OD1-CG2 3.32Å; D157-T159 PolarHBondContact OD1-N 2.93Å; D157-T159 PolarHBondContact OD1-OG1 2.98Å
160Q41.6Very low38.4Very low197 Ų197140.9 Ų140.992%0.92180%0.796SS**  trans113.6100.5148.5-161.2170.17.400117.1
161G32.9Very low38.4Very low64 Ų64139 Ų13966%0.6679%0.794SS**  trans16078.6161.800000117.6
162H41.6Very low38.2Very low191 Ų191137.3 Ų137.388%0.88479%0.791SS**  trans51.6105.5153.2-57.5-67.5000119.6
163A37.2Very low38.4Very low96 Ų96135 Ų13579%0.79378%0.778SS**  94.79470.100000115
164G33.7Very low38.2Very low76 Ų76134.6 Ų134.678%0.78477%0.771SS**  trans73.3105.7135.400000120.4
165R41.5Very low38.1Very low251 Ų251139.8 Ų139.895%0.94778%0.778SS**  -162.1150.5122.1-113.1169.7175.7170.5-2.2112.4
166T39.6Very low38.1Very low106 Ų106142.1 Ų142.165%0.6578%0.784SS**PPolyproline II helixtrans-71.7152.717843.80000112.2Q168T166-Q168 PolarHBondContact O-N 2.95Å
167P37.8Very low37.7Very low131 Ų131138.7 Ų138.785%0.85178%0.781SS**PPolyproline II helixtrans-67.7122.8169.128.7-32.7000109.9
168Q39.7Very low37.6Very low164 Ų164137.5 Ų137.577%0.76679%0.788SS**PPolyproline II helixtrans-98.8130.2170-78.9-78.2-27.900108.9T166T166-Q168 PolarHBondContact O-N 2.95Å
169T40.2Very low37.4Very low118 Ų118134 Ų13472%0.72478%0.779SS**PPolyproline II helixtrans-67.1136174.1170000111.2L171T169-L171 PolarHBondContact O-N 3.13Å
170P43.8Very low37.3Very low128 Ų128135 Ų13583%0.83179%0.787SS**PPolyproline II helixtrans-73.6120.4170.228.8-31.2000110.4
171L36Very low37.1Very low166 Ų166133.4 Ų133.487%0.86978%0.781SS**PPolyproline II helixtrans-79.5146.9174.2-84.5155.9000111.8T169T169-L171 PolarHBondContact O-N 3.13Å
172M39.3Very low37.3Very low157 Ų157136.2 Ų136.277%0.77379%0.788SS**PPolyproline II helixtrans-57.4140.9169.4-82.9-67.7-58.100112.6T174M172-T174 PolarHBondContact O-N 3.5Å
173P40.7Very low36.7Very low101 Ų101130.3 Ų130.366%0.65678%0.779SS**  trans-82.3105.1164.531.8-30.3000110.9F175P173-F175 HydrophobicContact CB-CE2 4.33Å
174T31.8Very low36.4Very low110 Ų110132.4 Ų132.468%0.67578%0.782SS**  trans-91.8129.7159.9-63.70000108.9M172M172-T174 PolarHBondContact O-N 3.5Å
175F36Very low36.3Very low197 Ų197134.3 Ų134.386%0.86478%0.778SS**  trans-125.6121161.6-74.7-76.8000109.9P173P173-F175 HydrophobicContact CB-CE2 4.33Å
176S32Very low35.8Very low111 Ų111127.4 Ų127.478%0.77677%0.768SS**  trans-95.3151.6-178-64.70000112.2
177N30.1Very low35.3Very low155 Ų155128.5 Ų128.583%0.82977%0.77SS**  trans-57.5146.7174.5177.353.7000114.4
178A31Very low34.9Very low95 Ų95128.6 Ų128.679%0.78577%0.768SS**  trans-153.2130.215800000111.9
179S37.5Very low34.7Very low98 Ų98126 Ų12669%0.68576%0.758SS**  trans-119144.7164.3172.20000107.9
180P38.8Very low34.5Very low124 Ų124130 Ų13081%0.80576%0.761SS**  -145.5149118.734.5-18.2000115.9
181M37Very low33.9Very low162 Ų162132.2 Ų132.280%0.79876%0.758SS**  trans-69.6175.5158.9-69.4-77.6-82.100110.6
182P37.5Very low33.6Very low124 Ų124133.1 Ų133.181%0.80576%0.757SS**  cis-145.5172.215.742-22.7000118.7
183G29.5Very low33Very low67 Ų67131.1 Ų131.169%0.69176%0.759SS**  trans132.5139.3133.800000120.8
184V30.2Very low32.5Very low140 Ų140130.8 Ų130.885%0.84877%0.765SS**  trans88.399.1151.6158.30000121.1
185V33Very low32.6Very low116 Ų116132.2 Ų132.270%0.70377%0.773SS**  trans22.2149.8131.2-107.90000120.8
186S30.7Very low32.4Very low105 Ų105129.7 Ų129.773%0.73477%0.774SS**  cis-149.3150.516.5-72.50000110.3
187D28.8Very low32.2Very low130 Ų130127.9 Ų127.970%0.69577%0.773SS**  cis94.4111.846.7-136.5-8.8000114.7
188T30.3Very low32.1Very low133 Ų133123.8 Ų123.882%0.81677%0.768SS**  trans169.6147.8153.422.70000111.1
189I34.3Very low32.1Very low110 Ų110126.5 Ų126.556%0.56477%0.768SS**  cis-171.9160.5-47.2-106162.8000107.8
190Y35.3Very low31.9Very low200 Ų200128.5 Ų128.578%0.78477%0.771SS**  trans88.1130.7176.3-56.1-53.1000117
191K31.3Very low31.7Very low176 Ų176129.7 Ų129.777%0.76578%0.776SS**  cis-155.4144.9-0.9-137.9156.1-173.3174.60113.7
192H30.7Very low31.4Very low184 Ų184125.1 Ų125.185%0.85277%0.77SS**  trans-35.8152.8171.5-64.4-105.9000116.5
193S26.4Very low31.3Very low115 Ų115125.1 Ų125.180%0.80477%0.773SS**  -169.5159.270.2-166.40000114.6
194A30.8Very low32Very low94 Ų94126.8 Ų126.878%0.77777%0.772SS**  trans-136.7133.4171.600000110.6
195V33.8Very low32.4Very low141 Ų141128 Ų12886%0.85577%0.772SS**  trans-144.2140.7165.5169.40000109.4
196T32Very low32.4Very low143 Ų143128 Ų12888%0.87777%0.773SS**  trans-87.6144-177.5-49.20000112.6
197G28.1Very low32.7Very low73 Ų73131.9 Ų131.975%0.75378%0.777SS**  trans130.6126.3142.800000119.1
198G27Very low33Very low70 Ų70131.6 Ų131.672%0.72278%0.782SS**  trans98.6113.2130.400000120.7
199L32.2Very low33.2Very low152 Ų152134 Ų13480%0.79678%0.784SS**  trans63.2120.5145.8-76.882.5000122.1
200N31.9Very low33.4Very low140 Ų140137.7 Ų137.775%0.74980%0.799SS**  66.1105.2126.8-55.38.3000121.6
201T35.8Very low33.4Very low148 Ų148136 Ų13691%0.90880%0.803SS**  trans-170.4131.8134.514.70000105.8
202G30.9Very low33.5Very low66 Ų66136.9 Ų136.968%0.6881%0.81SS**  cis86112.932.400000107.9
203S34.4Very low33.7Very low124 Ų124135.4 Ų135.487%0.86781%0.809SS**  cis-161.2174.839.4-84.20000113.2
204P43.3Very low34.8Very low102 Ų102134.9 Ų134.966%0.66280%0.802SS**  trans-110.8175.5-152.641.9-35.5000115.9
205I39.2Very low35Very low166 Ų166141.5 Ų141.585%0.85181%0.807SS**PPolyproline II helixtrans-98.1120.7157.1-69.1176.9000108.1
206T33.8Very low35Very low117 Ų117141 Ų14172%0.71880%0.804SS**PPolyproline II helixtrans-93133-174.1-640000111.2
207F36.8Very low34.9Very low185 Ų185139 Ų13981%0.81180%0.796SS**PPolyproline II helixtrans-78.5144.5161.7-73.9-93.6000109.4E209F207-E209 PolarHBondContact O-N 2.76Å; F207-E209 VanDerWaalsContact O-N 3.17Å
208P35.7Very low35.1Very low124 Ų124144.3 Ų144.381%0.80580%0.801SS**  trans-67.7114172.3-14.329.2000110
209E34.4Very low35.3Very low185 Ų185147.6 Ų147.686%0.86480%0.802SS**  trans-103.2125.9162.9-159163.6-177.100105.7F207F207-E209 PolarHBondContact O-N 2.76Å; F207-E209 VanDerWaalsContact O-N 3.17Å
210E38.1Very low35.3Very low186 Ų186145.3 Ų145.387%0.86980%0.795SS**  trans-91104-174-64.6-176.3149.600109.5
211D34.7Very low35.3Very low165 Ų165145.2 Ų145.288%0.88280%0.799SS**  trans-72.6134.4174.5-93.1-46.4000111.8
212E34.1Very low35.3Very low194 Ų194143.3 Ų143.391%0.90779%0.792SS**  trans-84.7155169.9-66.2-154.8120.700112.4
213D34.4Very low35.8Very low154 Ų154145.5 Ų145.582%0.82480%0.795SS**  trans-119.6136.7167.3-167.453.9000110.2
214P48.7Very low36Very low104 Ų104149.8 Ų149.868%0.67580%0.798SS**  trans-104.8147.2-146.337.8-34.7000115
215R35.5Very low36.2Very low232 Ų232148.2 Ų148.288%0.87580%0.8SS**  trans-146.8113.3160.5-65.7-169.6-161.314314.6115.2
216V33Very low37.1Very low130 Ų130147.1 Ų147.179%0.78880%0.795SS**  trans77115.1134.3-179.10000120.2
217S31.3Very low38Very low102 Ų102153.5 Ų153.571%0.71381%0.806SS**  trans79.9110.4145.2-69.10000123.5
218E31.1Very low38.8Very low184 Ų184148.2 Ų148.286%0.8680%0.804SS**  35.2114.6123.9-94.4179.612900122.2
219D31.4Very low39.6Very low139 Ų139150.5 Ų150.574%0.74380%0.801SS**  85.1126.9120.7-135.152.6000123.4
220T31.7Very low40.6Very low104 Ų104148.6 Ų148.664%0.63880%0.796SS**  trans48.698.1147.8-59.20000120
221T33.3Very low41.4Very low138 Ų138149.7 Ų149.785%0.84780%0.798SS**  -179.1127.812124.10000112.7
222S35.3Very low42.1Very low108 Ų108145.3 Ų145.376%0.75579%0.792SS**  trans-72.4162.6154.258.90000109.4
223P41.2Very low42.7Very low113 Ų113142.8 Ų142.873%0.73479%0.79SS**  cis-145154.417.740.4-21.3000117.7
224K39.6Very low43.3Very low213 Ų213140.1 Ų140.193%0.92679%0.789SS**  trans175.8135.6138.7-105162.6-179.6174.90115.3
225G45.8Very low43.4Very low70 Ų70139 Ų13972%0.72280%0.796SS**  77.197.9129.100000120.3
226I58.2Low43.9Very low143 Ų143132.7 Ų132.773%0.73378%0.78SS**SBendtrans-157-23.1137.327.8172.7000112.7G228I226-G228 PolarHBondContact O-N 2.83Å
227W54.3Low44.9Very low250 Ų250132.2 Ų132.295%0.94778%0.779SS**SBendtrans-76.647.4176.7-7487.5000114.1
228G52.7Low46Very low75 Ų75132 Ų13277%0.77377%0.773SS**  trans-119.82.2-167.200000117.2I226I226-G228 PolarHBondContact O-N 2.83Å
229F52.4Low46.9Very low171 Ų171127.4 Ų127.475%0.7576%0.758SS**SBendtrans-116-1.9-172.463.5-93.1000115.8
230L56.1Low47.7Very low145 Ų145128.7 Ų128.776%0.75976%0.757SS**SBendtrans-103.830.5-175-93.8161.7000114.7
231K54.7Low48.6Very low209 Ų209129.4 Ų129.491%0.90976%0.757SS**SBendtrans-148.287.6170.3-159.1170.6-174.1176.20113.8
232G48.8Very low49.4Very low73 Ų73127 Ų12775%0.75374%0.741SS**  trans119.890152.600000117.1
233V47.3Very low50.2Low142 Ų142127.3 Ų127.386%0.86173%0.734SS**  trans-136.2112.3137.6-175.90000107.7
234A46.4Very low50.4Low98 Ų98126.5 Ų126.581%0.8172%0.723SS**  trans-78.9141.2170.500000110.1
235G51.6Low50.9Low79 Ų79124.3 Ų124.381%0.81471%0.713SS**  trans65.591.2159.300000117.6
236N45.4Very low51.1Low101 Ų101125.1 Ų125.154%0.5471%0.705SS.*  trans-140.4118.5157.4-171.4-30.6000110.6V238N236-V238 PolarHBondContact O-N 3.25Å; N236-V238 WeakPolarHBondContact OD1-CB 3.39Å; N236-V238 WeakPolarHBondContact OD1-CG2 3.49Å; N236-V238 PolarHBondContact OD1-N 3.09Å
237P54.4Low50.8Low119 Ų119125.2 Ų125.277%0.77370%0.7SS**THydrogen-bonded Turntrans-71.2-10.1-176.928.9-34.9000114.5
238V54.1Low50.5Low98 Ų98119.2 Ų119.259%0.59468%0.682SS**THydrogen-bonded Turntrans-81.3-22.2-173.4-1770000113.2N236 K240 N241N236-V238 PolarHBondContact O-N 3.25Å; N236-V238 WeakPolarHBondContact OD1-CB 3.39Å; N236-V238 WeakPolarHBondContact OD1-CG2 3.49Å; N236-V238 PolarHBondContact OD1-N 3.09Å; V238-K240 VanDerWaalsContact C-N 3.27Å; V238-K240 PolarHBondContact O-N 3.18Å; V238-N241 PolarHBondContact O-N 3.35Å
239V49.7Very low50.1Low87 Ų87118.6 Ų118.653%0.52767%0.666SS.*Hα-helixtrans-70.7-23.4-178.5-164.20000112.3N241 V242 I243V239-N241 VanDerWaalsContact C-N 3.25Å; V239-N241 PolarHBondContact O-N 2.9Å; V239-V242 PolarHBondContact O-N 3.4Å; V239-I243 PolarHBondContact O-N 2.81Å
240K48.3Very low49.8Very low167 Ų167114.9 Ų114.973%0.72666%0.657SS**Hα-helixtrans-65.2-27.7177.9-148.4172-173.7178.70112.7V238 N244V238-K240 VanDerWaalsContact C-N 3.27Å; V238-K240 PolarHBondContact O-N 3.18Å; K240-N244 PolarHBondContact O-N 3.45Å
241N50.3Low49.4Very low119 Ų119113.9 Ų113.964%0.63665%0.648SS**Hα-helixtrans-78.8-26177-95.210.1000114V238 V239 K245V238-N241 PolarHBondContact O-N 3.35Å; V239-N241 VanDerWaalsContact C-N 3.25Å; V239-N241 PolarHBondContact O-N 2.9Å; N241-K245 PolarHBondContact O-N 2.85Å
242V50.8Low48.8Very low87 Ų87108.3 Ų108.353%0.52764%0.636SS.*Hα-helixtrans-76.7-37.3178.9-161.10000110.2V239 K245 T246V239-V242 PolarHBondContact O-N 3.4Å; V242-K245 PolarHBondContact O-N 2.88Å; V242-T246 PolarHBondContact O-N 3.45Å; V242-T246 PolarHBondContact O-OG1 2.98Å
243I52.2Low48.6Very low115 Ų115111.6 Ų111.659%0.5963%0.633SS**Hα-helixtrans-65.3-40.3174.5-56.5166.6000110.9V239 T246 K247V239-I243 PolarHBondContact O-N 2.81Å; I243-T246 PolarHBondContact O-N 2.92Å; I243-K247 PolarHBondContact O-N 3.06Å; I243-K247 VanDerWaalsContact O-N 3.15Å
244N44.8Very low48.8Very low95 Ų95111.5 Ų111.551%0.50863%0.626SS.*Hα-helixtrans-65.7-35.8172.2-94.21.9000113K240 H248K240-N244 PolarHBondContact O-N 3.45Å; N244-H248 PolarHBondContact O-CD2 2.64Å; N244-H248 PolarHBondContact O-N 2.87Å
245K51.1Low49.1Very low167 Ų167109.8 Ų109.873%0.72661%0.606SS**Hα-helixtrans-66.9-38.4173.8-95.7-173.7169.6-175.30112.6N241 V242 H248 S249N241-K245 PolarHBondContact O-N 2.85Å; V242-K245 PolarHBondContact O-N 2.88Å; K245-H248 PolarHBondContact O-N 2.86Å; K245-S249 WeakPolarHBondContact O-CB 3.24Å; K245-S249 PolarHBondContact O-N 3.42Å
246T49.6Very low49.2Very low88 Ų88113 Ų11354%0.5461%0.61SS.*Hα-helixtrans-66.7-38.7176.6-52.80000112V242 I243 H248 S249V242-T246 PolarHBondContact O-N 3.45Å; V242-T246 PolarHBondContact O-OG1 2.98Å; I243-T246 PolarHBondContact O-N 2.92Å; T246-H248 PolarHBondContact O-N 2.83Å; T246-S249 PolarHBondContact O-N 3.23Å
247K51.4Low49.5Very low145 Ų145113.1 Ų113.163%0.6361%0.61SS**Hα-helixtrans-60-45.8176.5-172.1178.7175.1-176.10112.3I243I243-K247 PolarHBondContact O-N 3.06Å; I243-K247 VanDerWaalsContact O-N 3.15Å
248H47.6Very low49.2Very low123 Ų123112.5 Ų112.557%0.56960%0.6SS**Hα-helixtrans-75.8-21.7177.1-72.8-60.1000114.1N244 K245 T246 V250 E251 S252N244-H248 PolarHBondContact O-CD2 2.64Å; N244-H248 PolarHBondContact O-N 2.87Å; K245-H248 PolarHBondContact O-N 2.86Å; T246-H248 PolarHBondContact O-N 2.83Å; H248-V250 VanDerWaalsContact C-N 3.31Å; H248-V250 PolarHBondContact O-N 3.44Å; H248-E251 IonicContact ND1-OE2 3.88Å; H248-S252 WeakPolarHBondContact O-CB 3.29Å; H248-S252 PolarHBondContact O-N 3.2Å
249S44.7Very low49.5Very low62 Ų62113.5 Ų113.543%0.43461%0.609SS.*Hα-helixtrans-74.9-15-177.8-169.70000114.4K245 T246K245-S249 WeakPolarHBondContact O-CB 3.24Å; K245-S249 PolarHBondContact O-N 3.42Å; T246-S249 PolarHBondContact O-N 3.23Å
250V45.7Very low49.9Very low94 Ų94111.6 Ų111.657%0.5761%0.607SS**Hα-helixtrans-91.6-39.8177.6-173.80000111.3H248 S252 M253H248-V250 VanDerWaalsContact C-N 3.31Å; H248-V250 PolarHBondContact O-N 3.44Å; V250-S252 PolarHBondContact O-N 3.29Å; V250-M253 PolarHBondContact O-N 3.32Å
251E48.5Very low50.1Low123 Ų123107 Ų10758%0.57559%0.589SS**Hα-helixtrans-61-35.5170.8-70.3172.4173.700111.6H248 M253H248-E251 IonicContact ND1-OE2 3.88Å; E251-M253 PolarHBondContact O-N 2.98Å
252S43.3Very low50.3Low93 Ų93103.9 Ų103.965%0.6558%0.58SS**THydrogen-bonded Turntrans-71.2-7178.2-171.40000115.2H248 V250H248-S252 WeakPolarHBondContact O-CB 3.29Å; H248-S252 PolarHBondContact O-N 3.2Å; V250-S252 PolarHBondContact O-N 3.29Å
253M44.6Very low50.5Low142 Ų142103.5 Ų103.570%0.758%0.579SS**THydrogen-bonded Turntrans-115.17.6-171.6-145177.4-65.400114.5V250 E251V250-M253 PolarHBondContact O-N 3.32Å; E251-M253 PolarHBondContact O-N 2.98Å
254I51.4Low50.4Low139 Ų139105.3 Ų105.371%0.71358%0.579SS**SBendtrans-104-13.2175.9-73.6165.1000112.2
255T51.3Low50.7Low63 Ų63104.7 Ų104.739%0.38758%0.575SS.*  trans-123.575.6-177.5161.40000111.1L257T255-L257 PolarHBondContact O-N 3.41Å; T255-L257 PolarHBondContact OG1-O 3.35Å
256T53.7Low50.6Low147 Ų147103.1 Ų103.190%0.90257%0.568SS**  trans-76.86.415646.90000112.5
257L52.1Low50.4Low103 Ų103101.9 Ų101.954%0.53956%0.564SS.*SBendtrans-81.3138.2165.6-74.8161.6000109.5T255 M261 I265T255-L257 PolarHBondContact O-N 3.41Å; T255-L257 PolarHBondContact OG1-O 3.35Å; L257-M261 HydrophobicContact CB-CB 4.29Å; L257-I265 HydrophobicContact CB-CD1 4.41Å; L257-I265 HydrophobicContact CD1-CD1 4.47Å
258D49.3Very low50Low106 Ų10697.4 Ų97.457%0.56756%0.558SS**  trans-29.9135174.2-177.2-5.1000114.3G260 M261D258-G260 PolarHBondContact O-N 3.45Å; D258-G260 PolarHBondContact OD1-N 3.03Å; D258-M261 HydrophobicContact CB-CG 4.25Å; D258-M261 WeakPolarHBondContact O-CA 3.38Å; D258-M261 WeakPolarHBondContact O-CB 3.33Å; D258-M261 PolarHBondContact O-N 2.98Å
259P58.6Low50.3Low119 Ų11992.7 Ų92.777%0.77354%0.543SS*.G310 helixtrans-47.9-27.4167.8-29.736.5000115M261 A262P259-M261 PolarHBondContact O-N 3.16Å; P259-A262 PolarHBondContact O-N 2.97Å
260G59.1Low51.4Low47 Ų4797.1 Ų97.149%0.48556%0.562SS.*G310 helixtrans-65.2-17.2171.100000115.2D258 P263D258-G260 PolarHBondContact O-N 3.45Å; D258-G260 PolarHBondContact OD1-N 3.03Å; G260-P263 WeakPolarHBondContact O-CD 2.87Å
261M52.8Low53.4Low70 Ų7093.6 Ų93.635%0.34554%0.54SS..G310 helixtrans-94.4-6179.9-69.4-60-65.700114.5L257 D258 P259 P263 Y264 I265L257-M261 HydrophobicContact CB-CB 4.29Å; D258-M261 HydrophobicContact CB-CG 4.25Å; D258-M261 WeakPolarHBondContact O-CA 3.38Å; D258-M261 WeakPolarHBondContact O-CB 3.33Å; D258-M261 PolarHBondContact O-N 2.98Å; P259-M261 PolarHBondContact O-N 3.16Å; M261-P263 VanDerWaalsContact C-N 3.28Å; M261-P263 VanDerWaalsContact O-N 3.17Å; M261-Y264 HydrophobicContact CE-CD2 3.78Å; M261-Y264 HydrophobicContact CE-CG 3.95Å; M261-Y264 PolarHBondContact O-N 3.09Å; M261-Y264 HydrophobicContact SD-CD2 3.73Å; M261-Y264 HydrophobicContact SD-CE2 4.17Å; M261-Y264 HydrophobicContact SD-CG 4.49Å; M261-I265 PolarHBondContact O-N 3.26Å
262A54.2Low55.5Low54 Ų5490.9 Ų90.945%0.44653%0.529SS..Hα-helixtrans-52.5-32177.500000115.6P259P259-A262 PolarHBondContact O-N 2.97Å
263P54.5Low58Low79 Ų7986.4 Ų86.451%0.51350%0.498SS..Hα-helixtrans-64.6-41.5172.6-2234.5000112.6G260 M261 K266 S267G260-P263 WeakPolarHBondContact O-CD 2.87Å; M261-P263 VanDerWaalsContact C-N 3.28Å; M261-P263 VanDerWaalsContact O-N 3.17Å; P263-K266 PolarHBondContact O-N 3.25Å; P263-S267 PolarHBondContact O-N 3.16Å; P263-S267 PolarHBondContact O-OG 3.33Å; P263-S267 VanDerWaalsContact O-OG 3.08Å
264Y50.8Low60.5Low152 Ų15279.8 Ų79.860%0.59647%0.465SS*.Hα-helixtrans-76.8-29.3-171.9-59.3-82.4000113.3M261 K266 S267M261-Y264 HydrophobicContact CE-CD2 3.78Å; M261-Y264 HydrophobicContact CE-CG 3.95Å; M261-Y264 PolarHBondContact O-N 3.09Å; M261-Y264 HydrophobicContact SD-CD2 3.73Å; M261-Y264 HydrophobicContact SD-CE2 4.17Å; M261-Y264 HydrophobicContact SD-CG 4.49Å; Y264-K266 PolarHBondContact O-N 3.22Å; Y264-S267 PolarHBondContact O-N 3.23Å
265I49.9Very low62.7Low82 Ų8273.2 Ų73.242%0.42143%0.432SS..Hα-helixtrans-65.1-20.6173.2-57.4173.6000111L257 M261L257-I265 HydrophobicContact CB-CD1 4.41Å; L257-I265 HydrophobicContact CD1-CD1 4.47Å; M261-I265 PolarHBondContact O-N 3.26Å
266K50.1Low65Low134 Ų13470.2 Ų70.258%0.58341%0.413SS*.THydrogen-bonded Turntrans-95.6-4.9172-62.7-174.9177.3-173.60114.3P263 Y264P263-K266 PolarHBondContact O-N 3.25Å; Y264-K266 PolarHBondContact O-N 3.22Å
267S45.6Very low67Low63 Ų6363.6 Ų63.644%0.44137%0.373SS..  trans-90.99.1-177-610000114.4P263 Y264 G269 T298P263-S267 PolarHBondContact O-N 3.16Å; P263-S267 PolarHBondContact O-OG 3.33Å; P263-S267 VanDerWaalsContact O-OG 3.08Å; Y264-S267 PolarHBondContact O-N 3.23Å; S267-G269 VanDerWaalsContact C-N 3.32Å; S267-G269 PolarHBondContact O-N 2.85Å; S267-T298 VanDerWaalsContact C-OG1 3.3Å; S267-T298 PolarHBondContact O-OG1 3.28Å
268G41.8Very low68.9Low50 Ų5063.5 Ų63.552%0.51537%0.373SS..  trans-93.851169.500000111.8M296G268-M296 VanDerWaalsContact O-CE 3.25Å; G268-M296 WeakPolarHBondContact O-CE 3.47Å
269G53.8Low71Confident25 Ų2564 Ų6426%0.25837%0.37SS..  trans-63.8149.1-177.500000114.1S267 I271 M296 T298S267-G269 VanDerWaalsContact C-N 3.32Å; S267-G269 PolarHBondContact O-N 2.85Å; G269-I271 PolarHBondContact O-N 2.79Å; G269-M296 CarbonylContact C-O 3.52Å; G269-M296 WeakPolarHBondContact CA-O 3.11Å; G269-T298 PolarHBondContact N-OG1 3.07Å
270D69.3Low72.7Confident155 Ų15565.1 Ų65.183%0.82937%0.37SS*.SBendtrans-68.2-15.3163.4-167.140.3000110.9M296D270-M296 PolarHBondContact N-O 3.26Å
271I87.4Confident74.3Confident19 Ų1965.1 Ų65.110%0.09736%0.358CS..EExtended strand (participates in β ladder)trans-138.3139.8177.2-155.4157.2000111.4G269 I273 F294 A297 T298 Y449 L453G269-I271 PolarHBondContact O-N 2.79Å; I271-I273 HydrophobicContact CD1-CD1 4.24Å; I271-I273 HydrophobicContact CG1-CD1 4.12Å; I271-I273 HydrophobicContact CG1-CG1 3.99Å; I271-I273 HydrophobicContact CG2-CD1 4.13Å; I271-I273 HydrophobicContact CG2-CG1 4.39Å; I271-F294 HydrophobicContact CB-CD1 4.4Å; I271-F294 HydrophobicContact CD1-CD1 4.26Å; I271-F294 HydrophobicContact CD1-CE1 3.67Å; I271-F294 HydrophobicContact CD1-CZ 3.94Å; I271-F294 HydrophobicContact CG2-CB 4.24Å; I271-F294 HydrophobicContact CG2-CD1 3.91Å; I271-F294 HydrophobicContact CG2-CD2 4.45Å; I271-F294 HydrophobicContact CG2-CE1 4.37Å; I271-F294 HydrophobicContact CG2-CG 3.95Å; I271-A297 HydrophobicContact CG2-CB 3.65Å; I271-T298 PolarHBondContact O-N 2.93Å; I271-Y449 HydrophobicContact CD1-CD1 4.1Å; I271-Y449 HydrophobicContact CD1-CE1 3.32Å; I271-Y449 HydrophobicContact CG1-CE1 4.42Å; I271-L453 HydrophobicContact CD1-CD1 3.59Å
272D92.1Very high76.3Confident66 Ų6662.1 Ų62.135%0.35334%0.344SS..EExtended strand (participates in β ladder)trans-119.2127.1174.1178.852.5000109.3T298 Q339D272-T298 WeakPolarHBondContact CA-O 3.42Å; D272-T298 VanDerWaalsContact OD1-CG2 3.29Å; D272-T298 WeakPolarHBondContact OD1-CG2 3.36Å; D272-Q339 PolarHBondContact OD2-NE2 3.48Å
273I95.1Very high78.4Confident0 Ų060.1 Ų60.10%033%0.326CS..EExtended strand (participates in β ladder)trans-138.4128.4-169.4-54.5-179.2000109.8I271 F290 T298 V299 T300 P340 V342 Y449I271-I273 HydrophobicContact CD1-CD1 4.24Å; I271-I273 HydrophobicContact CG1-CD1 4.12Å; I271-I273 HydrophobicContact CG1-CG1 3.99Å; I271-I273 HydrophobicContact CG2-CD1 4.13Å; I271-I273 HydrophobicContact CG2-CG1 4.39Å; I273-F290 HydrophobicContact CD1-CD1 3.18Å; I273-F290 HydrophobicContact CD1-CE1 3.28Å; I273-F290 HydrophobicContact CD1-CG 4.02Å; I273-F290 HydrophobicContact CD1-CZ 4.22Å; I273-T298 PolarHBondContact N-O 2.92Å; I273-V299 VanDerWaalsContact O-CA 3.3Å; I273-V299 WeakPolarHBondContact O-CA 3.12Å; I273-T300 PolarHBondContact O-N 2.78Å; I273-P340 HydrophobicContact CG1-CB 4.33Å; I273-V342 HydrophobicContact CG2-CG2 3.85Å; I273-Y449 HydrophobicContact CD1-CE1 4.23Å
274V97.6Very high80.4Confident2 Ų259.8 Ų59.81%0.01232%0.318CS..EExtended strand (participates in β ladder)trans-91.3134.5173.2-178.50000110E302 L329 I335 Q339 P340 V341 V342V274-E302 HydrophobicContact CG1-CB 3.74Å; V274-E302 HydrophobicContact CG1-CG 3.51Å; V274-L329 HydrophobicContact CG1-CD1 4.32Å; V274-I335 HydrophobicContact CB-CG2 4.14Å; V274-I335 HydrophobicContact CG1-CG2 3.8Å; V274-I335 HydrophobicContact CG2-CG2 3.85Å; V274-Q339 VanDerWaalsContact CG2-CD 3.48Å; V274-Q339 HydrophobicContact CG2-CG 4.16Å; V274-P340 PolarHBondContact N-O 2.77Å; V274-V341 HydrophobicContact CB-CG1 4.5Å; V274-V341 CarbonylContact O-C 3.5Å; V274-V341 VanDerWaalsContact O-CA 3.27Å; V274-V341 WeakPolarHBondContact O-CA 3.32Å; V274-V342 PolarHBondContact O-N 3.19Å
275V98.3Very high82.7Confident1 Ų152.6 Ų52.61%0.00629%0.289CS..EExtended strand (participates in β ladder)trans-97.5123.6167.7-176.30000108.4S277 V283 V286 V299 T300 E302 V342V275-S277 PolarHBondContact O-N 3.23Å; V275-V283 HydrophobicContact CB-CG2 4.27Å; V275-V283 HydrophobicContact CG1-CG2 4.2Å; V275-V286 HydrophobicContact CG2-CB 3.96Å; V275-V286 HydrophobicContact CG2-CG1 3.7Å; V275-V286 HydrophobicContact CG2-CG2 4.43Å; V275-V299 HydrophobicContact CG2-CG1 3.53Å; V275-T300 WeakPolarHBondContact CB-O 3.33Å; V275-T300 PolarHBondContact N-O 2.98Å; V275-E302 PolarHBondContact O-N 3.26Å; V275-V342 CarbonylContact C-O 3.54Å; V275-V342 VanDerWaalsContact CA-O 3.26Å; V275-V342 WeakPolarHBondContact CA-O 3.21Å
276A98Very high85Confident0 Ų048.7 Ų48.70%027%0.27CS..SBendtrans-78.456.6178.300000111.8E302 R325 L329 V341 V342 A343A276-E302 CarbonylContact C-O 3.6Å; A276-R325 HydrophobicContact CB-CB 3.95Å; A276-L329 HydrophobicContact CB-CD1 3.63Å; A276-V341 HydrophobicContact CB-CG1 4.14Å; A276-V342 PolarHBondContact N-O 2.99Å; A276-A343 HydrophobicContact CB-CB 4.07Å
277S95.9Very high87.2Confident9 Ų945.4 Ų45.46%0.06325%0.253CS..  trans-157.2142.8176.5-169.10000110.7V275 K279 V283 G301 E302V275-S277 PolarHBondContact O-N 3.23Å; S277-K279 PolarHBondContact OG-N 3.26Å; S277-V283 WeakPolarHBondContact O-CG2 3.42Å; S277-G301 CarbonylContact O-C 3.6Å; S277-G301 WeakPolarHBondContact O-CA 3.4Å; S277-E302 CarbonylContact C-O 3.49Å; S277-E302 PolarHBondContact N-O 2.94Å
278D92.8Very high89.6Confident101 Ų10145.7 Ų45.754%0.5425%0.248SC..  trans-88.3-6.5170.159.3-17.4000113.6D280 P303D278-D280 PolarHBondContact O-N 3.16Å; D278-P303 HydrophobicContact CB-CB 3.95Å; D278-P303 HydrophobicContact CB-CG 3.98Å
279K93.3Very high92.3Very high116 Ų11643.3 Ų43.350%0.50422%0.223SC..  trans-79.3110.1-175.3-63.4172.4-174.1167.60110S277 M281 S282 V283S277-K279 PolarHBondContact OG-N 3.26Å; K279-M281 PolarHBondContact O-N 2.7Å; K279-S282 PolarHBondContact O-N 2.82Å; K279-V283 PolarHBondContact O-N 3.14Å
280D93.7Very high94.3Very high142 Ų14242.1 Ų42.176%0.75921%0.211SC*.Hα-helixtrans-43.8-45.4177.1-74.2-63.6000113D278 S282 V283 Q284D278-D280 PolarHBondContact O-N 3.16Å; D280-S282 VanDerWaalsContact C-N 3.33Å; D280-S282 PolarHBondContact O-N 2.94Å; D280-V283 PolarHBondContact O-N 3.45Å; D280-Q284 WeakPolarHBondContact O-CB 3.5Å; D280-Q284 PolarHBondContact O-N 3.39Å
281M94.1Very high95.5Very high48 Ų4836.9 Ų36.924%0.23618%0.182CC..Hα-helixtrans-56.1-42.4177.8173.5171.560.500113.5K279 A285 T423 Q434 H435K279-M281 PolarHBondContact O-N 2.7Å; M281-A285 VanDerWaalsContact O-CB 3.23Å; M281-A285 WeakPolarHBondContact O-CB 3.48Å; M281-A285 PolarHBondContact O-N 2.99Å; M281-A285 VanDerWaalsContact O-N 3.16Å; M281-T423 WeakPolarHBondContact CE-O 3.39Å; M281-Q434 HydrophobicContact CE-CB 4.3Å; M281-Q434 HydrophobicContact CE-CG 3.94Å; M281-Q434 HydrophobicContact SD-CB 3.89Å; M281-Q434 HydrophobicContact SD-CG 4.02Å; M281-H435 HydrophobicContact CG-CB 3.92Å; M281-H435 PolarHBondContact O-CD2 3.1Å; M281-H435 VanDerWaalsContact O-CD2 3.27Å; M281-H435 HydrophobicContact SD-CB 4.4Å
282S94.7Very high95.9Very high6 Ų641.8 Ų41.84%0.04220%0.204CC..Hα-helixtrans-75.9-46-179.6-57.10000110.8K279 D280 Q284 A285 V286K279-S282 PolarHBondContact O-N 2.82Å; D280-S282 VanDerWaalsContact C-N 3.33Å; D280-S282 PolarHBondContact O-N 2.94Å; S282-Q284 VanDerWaalsContact C-N 3.33Å; S282-Q284 PolarHBondContact O-N 2.94Å; S282-A285 PolarHBondContact O-N 3.45Å; S282-V286 WeakPolarHBondContact O-CG2 3.48Å; S282-V286 PolarHBondContact O-N 3.08Å
283V97.3Very high96Very high13 Ų1340 Ų408%0.07920%0.196CC..Hα-helixtrans-62.6-41.6179.9-1790000110.7V275 S277 K279 D280 R287V275-V283 HydrophobicContact CB-CG2 4.27Å; V275-V283 HydrophobicContact CG1-CG2 4.2Å; S277-V283 WeakPolarHBondContact O-CG2 3.42Å; K279-V283 PolarHBondContact O-N 3.14Å; D280-V283 PolarHBondContact O-N 3.45Å; V283-R287 VanDerWaalsContact O-CB 3.27Å; V283-R287 WeakPolarHBondContact O-CB 3.27Å; V283-R287 PolarHBondContact O-N 2.99Å
284Q97.3Very high95.8Very high72 Ų7241.5 Ų41.534%0.33620%0.202SC..Hα-helixtrans-70.4-42.4178.6-17561.314.500112.2D280 S282 V286 R287 E288D280-Q284 WeakPolarHBondContact O-CB 3.5Å; D280-Q284 PolarHBondContact O-N 3.39Å; S282-Q284 VanDerWaalsContact C-N 3.33Å; S282-Q284 PolarHBondContact O-N 2.94Å; Q284-V286 VanDerWaalsContact C-N 3.3Å; Q284-V286 PolarHBondContact O-N 3.33Å; Q284-R287 WeakPolarHBondContact O-CB 3.42Å; Q284-R287 PolarHBondContact O-N 2.84Å; Q284-E288 HydrophobicContact CG-CG 4.46Å; Q284-E288 PolarHBondContact NE2-OE1 3.04Å; Q284-E288 WeakPolarHBondContact O-CG 3.33Å; Q284-E288 PolarHBondContact O-N 2.8Å
285A97.8Very high95.2Very high0 Ų044 Ų440%023%0.229CC..Hα-helixtrans-60.3-40.7176.100000112.1M281 S282 A289 H435 I438 Q439M281-A285 VanDerWaalsContact O-CB 3.23Å; M281-A285 WeakPolarHBondContact O-CB 3.48Å; M281-A285 PolarHBondContact O-N 2.99Å; M281-A285 VanDerWaalsContact O-N 3.16Å; S282-A285 PolarHBondContact O-N 3.45Å; A285-A289 WeakPolarHBondContact O-CB 3.41Å; A285-A289 PolarHBondContact O-N 3.12Å; A285-H435 WeakPolarHBondContact CB-O 3.13Å; A285-H435 PolarHBondContact N-NE2 3.42Å; A285-I438 HydrophobicContact CB-CB 3.92Å; A285-I438 HydrophobicContact CB-CG2 3.68Å; A285-Q439 HydrophobicContact CB-CB 4.12Å
286V98.2Very high94.4Very high1 Ų149 Ų491%0.00625%0.253CS..Hα-helixtrans-69-45.8173.41770000111V275 S282 Q284 E288 A289 F290 V299 V342 A442V275-V286 HydrophobicContact CG2-CB 3.96Å; V275-V286 HydrophobicContact CG2-CG1 3.7Å; V275-V286 HydrophobicContact CG2-CG2 4.43Å; S282-V286 WeakPolarHBondContact O-CG2 3.48Å; S282-V286 PolarHBondContact O-N 3.08Å; Q284-V286 VanDerWaalsContact C-N 3.3Å; Q284-V286 PolarHBondContact O-N 3.33Å; V286-E288 PolarHBondContact O-N 3.27Å; V286-A289 PolarHBondContact O-N 3.18Å; V286-F290 HydrophobicContact CG1-CD2 3.59Å; V286-F290 HydrophobicContact CG1-CE2 3.75Å; V286-F290 WeakPolarHBondContact O-CD2 3.46Å; V286-F290 PolarHBondContact O-N 3.29Å; V286-V299 HydrophobicContact CG1-CG1 4.41Å; V286-V342 HydrophobicContact CG1-CG1 4.36Å; V286-V342 HydrophobicContact CG2-CG1 4.29Å; V286-A442 HydrophobicContact CG2-CB 4.06Å
287R97.2Very high94Very high65 Ų6549 Ų4925%0.24525%0.253CS..Hα-helixtrans-53-51.6176.3-179.3-170.3-53.4-66.4-9.4111.9V283 Q284 A289 F290 Q291 V299V283-R287 VanDerWaalsContact O-CB 3.27Å; V283-R287 WeakPolarHBondContact O-CB 3.27Å; V283-R287 PolarHBondContact O-N 2.99Å; Q284-R287 WeakPolarHBondContact O-CB 3.42Å; Q284-R287 PolarHBondContact O-N 2.84Å; R287-A289 PolarHBondContact O-N 3.22Å; R287-F290 PolarHBondContact O-N 2.84Å; R287-Q291 HydrophobicContact CG-CG 4.32Å; R287-Q291 VanDerWaalsContact O-CB 3.25Å; R287-Q291 WeakPolarHBondContact O-CB 3.43Å; R287-Q291 VanDerWaalsContact O-CG 3.25Å; R287-Q291 WeakPolarHBondContact O-CG 3.46Å; R287-Q291 PolarHBondContact O-N 3.43Å; R287-V299 HydrophobicContact CB-CB 4.12Å; R287-V299 HydrophobicContact CB-CG1 4.29Å; R287-V299 HydrophobicContact CB-CG2 4.47Å; R287-V299 HydrophobicContact CG-CB 4.29Å; R287-V299 PolarHBondContact NH1-O 3.5Å; R287-V299 PolarHBondContact NH2-O 3.33Å
288E96.9Very high93.9Very high69 Ų6949.8 Ų49.832%0.32226%0.257SS..Hα-helixtrans-62.2-43.5-179-71.6179.6-166.800111.5Q284 V286 E292 H435 Q439Q284-E288 HydrophobicContact CG-CG 4.46Å; Q284-E288 PolarHBondContact NE2-OE1 3.04Å; Q284-E288 WeakPolarHBondContact O-CG 3.33Å; Q284-E288 PolarHBondContact O-N 2.8Å; V286-E288 PolarHBondContact O-N 3.27Å; E288-E292 WeakPolarHBondContact O-CB 3.45Å; E288-E292 PolarHBondContact O-N 2.89Å; E288-H435 IonicContact OE1-CE1 2.82Å; E288-H435 IonicContact OE2-CE1 3.02Å; E288-H435 PolarHBondContact OE2-CE1 3.13Å; E288-Q439 PolarHBondContact OE2-NE2 3.02Å
289A97.8Very high94Very high0 Ų045.1 Ų45.10%023%0.232CC..Hα-helixtrans-62.6-46.8178.100000113.3A285 V286 R287 E292 V293 A442 K443A285-A289 WeakPolarHBondContact O-CB 3.41Å; A285-A289 PolarHBondContact O-N 3.12Å; V286-A289 PolarHBondContact O-N 3.18Å; R287-A289 PolarHBondContact O-N 3.22Å; A289-E292 PolarHBondContact O-N 2.87Å; A289-V293 WeakPolarHBondContact O-CG2 3.44Å; A289-V293 PolarHBondContact O-N 2.93Å; A289-V293 VanDerWaalsContact O-N 3.16Å; A289-A442 HydrophobicContact CB-CB 3.62Å; A289-K443 HydrophobicContact CB-CB 3.99Å
290F96.4Very high94.1Very high0 Ų042 Ų420%022%0.223CC..Hα-helixtrans-72.1-38.3180-83.7-98.4000112.1I273 V286 R287 E292 V293 F294 A297 V299 V342 L364 A446 Y449I273-F290 HydrophobicContact CD1-CD1 3.18Å; I273-F290 HydrophobicContact CD1-CE1 3.28Å; I273-F290 HydrophobicContact CD1-CG 4.02Å; I273-F290 HydrophobicContact CD1-CZ 4.22Å; V286-F290 HydrophobicContact CG1-CD2 3.59Å; V286-F290 HydrophobicContact CG1-CE2 3.75Å; V286-F290 WeakPolarHBondContact O-CD2 3.46Å; V286-F290 PolarHBondContact O-N 3.29Å; R287-F290 PolarHBondContact O-N 2.84Å; F290-E292 VanDerWaalsContact C-N 3.29Å; F290-E292 PolarHBondContact O-N 2.93Å; F290-V293 PolarHBondContact O-N 3.37Å; F290-F294 AromaticContact CD1-CD2 3.92Å; F290-F294 HydrophobicContact CD1-CD2 3.92Å; F290-F294 AromaticContact CD1-CE2 3.7Å; F290-F294 HydrophobicContact CD1-CE2 3.7Å; F290-F294 HydrophobicContact CE1-CE2 4.05Å; F290-F294 WeakPolarHBondContact O-CB 3.42Å; F290-F294 PolarHBondContact O-N 2.99Å; F290-A297 HydrophobicContact CB-CB 4.11Å; F290-V299 HydrophobicContact CB-CG2 4.29Å; F290-V342 HydrophobicContact CE2-CG2 4.25Å; F290-V342 HydrophobicContact CZ-CG2 4.05Å; F290-L364 HydrophobicContact CE1-CD1 4.05Å; F290-L364 HydrophobicContact CZ-CD1 3.78Å; F290-A446 HydrophobicContact CD1-CB 3.67Å; F290-A446 HydrophobicContact CD2-CB 3.83Å; F290-A446 HydrophobicContact CE1-CB 3.64Å; F290-A446 HydrophobicContact CE2-CB 3.79Å; F290-A446 HydrophobicContact CG-CB 3.79Å; F290-A446 HydrophobicContact CZ-CB 3.7Å; F290-Y449 AromaticContact CE1-CD1 3.99Å; F290-Y449 HydrophobicContact CE1-CD1 3.99Å
291Q94.7Very high94.3Very high45 Ų4536.7 Ų36.721%0.2120%0.202CC..Hα-helixtrans-65.2-31.6173.5-71.7-177.7-7.100112.3R287 G295 A297R287-Q291 HydrophobicContact CG-CG 4.32Å; R287-Q291 VanDerWaalsContact O-CB 3.25Å; R287-Q291 WeakPolarHBondContact O-CB 3.43Å; R287-Q291 VanDerWaalsContact O-CG 3.25Å; R287-Q291 WeakPolarHBondContact O-CG 3.46Å; R287-Q291 PolarHBondContact O-N 3.43Å; Q291-G295 CarbonylContact O-C 3.57Å; Q291-G295 WeakPolarHBondContact O-CA 3.2Å; Q291-G295 PolarHBondContact O-N 3.42Å; Q291-A297 HydrophobicContact CG-CB 4.1Å; Q291-A297 WeakPolarHBondContact CG-O 3.16Å; Q291-A297 PolarHBondContact NE2-O 2.91Å
292E94.5Very high94.4Very high121 Ų12137.4 Ų37.457%0.56521%0.205SC*.Hα-helixtrans-70.3-39.1173.3-161.4-172162.100112.6E288 A289 F290 K443E288-E292 WeakPolarHBondContact O-CB 3.45Å; E288-E292 PolarHBondContact O-N 2.89Å; A289-E292 PolarHBondContact O-N 2.87Å; F290-E292 VanDerWaalsContact C-N 3.29Å; F290-E292 PolarHBondContact O-N 2.93Å; E292-K443 WeakPolarHBondContact OE1-CE 3.35Å; E292-K443 IonicContact OE1-NZ 2.69Å; E292-K443 PolarHBondContact OE1-NZ 2.95Å; E292-K443 VanDerWaalsContact OE2-CE 3.22Å; E292-K443 WeakPolarHBondContact OE2-CE 3.47Å; E292-K443 IonicContact OE2-NZ 2.63Å; E292-K443 PolarHBondContact OE2-NZ 3.36Å
293V94.4Very high94.5Very high30 Ų3041.1 Ų41.118%0.18223%0.229CC..Hα-helixtrans-82.1-38.1-175.8171.60000113.3A289 F290 K443 A446 K450A289-V293 WeakPolarHBondContact O-CG2 3.44Å; A289-V293 PolarHBondContact O-N 2.93Å; A289-V293 VanDerWaalsContact O-N 3.16Å; F290-V293 PolarHBondContact O-N 3.37Å; V293-K443 HydrophobicContact CG2-CG 3.99Å; V293-A446 HydrophobicContact CB-CB 3.92Å; V293-A446 HydrophobicContact CG1-CB 4.08Å; V293-A446 HydrophobicContact CG2-CB 3.96Å; V293-K450 HydrophobicContact CG1-CB 4.25Å; V293-K450 HydrophobicContact CG1-CD 3.86Å; V293-K450 PolarHBondContact O-NZ 3.2Å
294F90.7Very high94.3Very high31 Ų3141.4 Ų41.414%0.13623%0.231CC..Hα-helixtrans-97.3-16.6-179.6-71.2-97.2000113I271 F290 M296 A297 A446 Y449 K450 L453I271-F294 HydrophobicContact CB-CD1 4.4Å; I271-F294 HydrophobicContact CD1-CD1 4.26Å; I271-F294 HydrophobicContact CD1-CE1 3.67Å; I271-F294 HydrophobicContact CD1-CZ 3.94Å; I271-F294 HydrophobicContact CG2-CB 4.24Å; I271-F294 HydrophobicContact CG2-CD1 3.91Å; I271-F294 HydrophobicContact CG2-CD2 4.45Å; I271-F294 HydrophobicContact CG2-CE1 4.37Å; I271-F294 HydrophobicContact CG2-CG 3.95Å; F290-F294 AromaticContact CD1-CD2 3.92Å; F290-F294 HydrophobicContact CD1-CD2 3.92Å; F290-F294 AromaticContact CD1-CE2 3.7Å; F290-F294 HydrophobicContact CD1-CE2 3.7Å; F290-F294 HydrophobicContact CE1-CE2 4.05Å; F290-F294 WeakPolarHBondContact O-CB 3.42Å; F290-F294 PolarHBondContact O-N 2.99Å; F294-M296 PolarHBondContact O-N 3.48Å; F294-A297 HydrophobicContact CB-CB 4.23Å; F294-A446 HydrophobicContact CE2-CB 4.16Å; F294-Y449 HydrophobicContact CE2-CD1 4.37Å; F294-Y449 AromaticContact CZ-CD1 3.86Å; F294-Y449 HydrophobicContact CZ-CD1 3.86Å; F294-Y449 HydrophobicContact CZ-CE1 4.47Å; F294-K450 HydrophobicContact CD1-CD 4.47Å; F294-K450 HydrophobicContact CE1-CB 4.03Å; F294-K450 HydrophobicContact CE1-CD 4.39Å; F294-K450 HydrophobicContact CE1-CG 3.99Å; F294-K450 HydrophobicContact CE2-CB 4.16Å; F294-K450 HydrophobicContact CZ-CB 3.63Å; F294-K450 HydrophobicContact CZ-CG 4.13Å; F294-L453 HydrophobicContact CE1-CD1 3.94Å; F294-L453 HydrophobicContact CZ-CD1 4.17Å
295G86.1Confident94Very high55 Ų5546.2 Ų46.257%0.56725%0.254SS*.SBendtrans76.7-46.4-175.900000113Q291Q291-G295 CarbonylContact O-C 3.57Å; Q291-G295 WeakPolarHBondContact O-CA 3.2Å; Q291-G295 PolarHBondContact O-N 3.42Å
296M81.4Confident93.9Very high104 Ų10447.3 Ų47.351%0.51226%0.262SS..SBendtrans-129.594.7178-60.9178.562.500108.6G268 G269 D270 F294G268-M296 VanDerWaalsContact O-CE 3.25Å; G268-M296 WeakPolarHBondContact O-CE 3.47Å; G269-M296 CarbonylContact C-O 3.52Å; G269-M296 WeakPolarHBondContact CA-O 3.11Å; D270-M296 PolarHBondContact N-O 3.26Å; F294-M296 PolarHBondContact O-N 3.48Å
297A89.8Confident93.7Very high0 Ų052 Ų520%029%0.287CS..EExtended strand (participates in β ladder)trans-129125.817700000110.6I271 F290 Q291 F294 V299I271-A297 HydrophobicContact CG2-CB 3.65Å; F290-A297 HydrophobicContact CB-CB 4.11Å; Q291-A297 HydrophobicContact CG-CB 4.1Å; Q291-A297 WeakPolarHBondContact CG-O 3.16Å; Q291-A297 PolarHBondContact NE2-O 2.91Å; F294-A297 HydrophobicContact CB-CB 4.23Å; A297-V299 HydrophobicContact CB-CG2 4.5Å
298T92.6Very high93.7Very high26 Ų2649.4 Ų49.416%0.1628%0.277CS..EExtended strand (participates in β ladder)trans-85128.5167.8-600000107.7S267 G269 I271 D272 I273S267-T298 VanDerWaalsContact C-OG1 3.3Å; S267-T298 PolarHBondContact O-OG1 3.28Å; G269-T298 PolarHBondContact N-OG1 3.07Å; I271-T298 PolarHBondContact O-N 2.93Å; D272-T298 WeakPolarHBondContact CA-O 3.42Å; D272-T298 VanDerWaalsContact OD1-CG2 3.29Å; D272-T298 WeakPolarHBondContact OD1-CG2 3.36Å; I273-T298 PolarHBondContact N-O 2.92Å
299V95.3Very high93.7Very high3 Ų346.2 Ų46.22%0.01826%0.263CS..EExtended strand (participates in β ladder)trans-131.6127179.4-178.10000108.5I273 V275 V286 R287 F290 A297I273-V299 VanDerWaalsContact O-CA 3.3Å; I273-V299 WeakPolarHBondContact O-CA 3.12Å; V275-V299 HydrophobicContact CG2-CG1 3.53Å; V286-V299 HydrophobicContact CG1-CG1 4.41Å; R287-V299 HydrophobicContact CB-CB 4.12Å; R287-V299 HydrophobicContact CB-CG1 4.29Å; R287-V299 HydrophobicContact CB-CG2 4.47Å; R287-V299 HydrophobicContact CG-CB 4.29Å; R287-V299 PolarHBondContact NH1-O 3.5Å; R287-V299 PolarHBondContact NH2-O 3.33Å; F290-V299 HydrophobicContact CB-CG2 4.29Å; A297-V299 HydrophobicContact CB-CG2 4.5Å
300T95.3Very high93.7Very high51 Ų5149.9 Ų49.931%0.31329%0.287SS..EExtended strand (participates in β ladder)trans-117.7154.7177.751.50000109.6I273 V275I273-T300 PolarHBondContact O-N 2.78Å; V275-T300 WeakPolarHBondContact CB-O 3.33Å; V275-T300 PolarHBondContact N-O 2.98Å
301G97Very high93.7Very high30 Ų3050.4 Ų50.431%0.30929%0.289SS..EExtended strand (participates in β ladder)trans-116.2117.3178.100000109.2S277S277-G301 CarbonylContact O-C 3.6Å; S277-G301 WeakPolarHBondContact O-CA 3.4Å
302E97.4Very high93.9Very high64 Ų6448.3 Ų48.330%0.29928%0.279SS..  trans-111126.6179.4-70.5-58.2151.500110.6V274 V275 A276 S277 S304 L329 V334 I335V274-E302 HydrophobicContact CG1-CB 3.74Å; V274-E302 HydrophobicContact CG1-CG 3.51Å; V275-E302 PolarHBondContact O-N 3.26Å; A276-E302 CarbonylContact C-O 3.6Å; S277-E302 CarbonylContact C-O 3.49Å; S277-E302 PolarHBondContact N-O 2.94Å; E302-S304 PolarHBondContact O-N 3.17Å; E302-L329 HydrophobicContact CB-CD1 3.8Å; E302-L329 HydrophobicContact CB-CD2 4.03Å; E302-V334 HydrophobicContact CB-CG1 4.24Å; E302-V334 HydrophobicContact CG-CG1 4Å; E302-V334 WeakPolarHBondContact OE2-CG1 3.49Å; E302-I335 HydrophobicContact CG-CG2 4.32Å
303P95.9Very high94.1Very high84 Ų8444.6 Ų44.655%0.54527%0.265SS..  trans-60.2121.7-179.8-20.430.1000112D278 L329D278-P303 HydrophobicContact CB-CB 3.95Å; D278-P303 HydrophobicContact CB-CG 3.98Å; P303-L329 WeakPolarHBondContact O-CD2 3Å
304S93.9Very high94.3Very high19 Ų1944.2 Ų44.213%0.13327%0.267CS..  trans-135.3150.3179.1-166.40000112.8E302 R325E302-S304 PolarHBondContact O-N 3.17Å; S304-R325 WeakPolarHBondContact OG-CA 3.38Å; S304-R325 WeakPolarHBondContact OG-CB 3.47Å; S304-R325 PolarHBondContact OG-O 2.92Å
305Q91.5Very high94.6Very high173 Ų17346.7 Ų46.781%0.80828%0.276SS*.  trans-126.8141.1-178-64.9-176-7.200110.2
306S94.1Very high95.1Very high23 Ų2348 Ų4816%0.16128%0.281CS..  trans-107.8149173.340.30000109.8I308 G321 R325 E345S306-I308 PolarHBondContact O-N 3.5Å; S306-I308 VanDerWaalsContact O-N 3.16Å; S306-G321 WeakPolarHBondContact CB-O 3.32Å; S306-R325 PolarHBondContact OG-NH2 3.09Å; S306-E345 PolarHBondContact OG-OE2 3.22Å
307N94.8Very high95.9Very high100 Ų10043.3 Ų43.354%0.53526%0.26SS..SBendtrans-86.533.9174.3-54-86.6000111.2E324N307-E324 WeakPolarHBondContact CA-OE2 3.11Å; N307-E324 VanDerWaalsContact CB-OE2 3.24Å; N307-E324 WeakPolarHBondContact CB-OE2 3.26Å; N307-E324 PolarHBondContact N-OE2 2.92Å; N307-E324 PolarHBondContact ND2-OE2 3.45Å
308I97.1Very high96.3Very high9 Ų943.3 Ų43.35%0.04626%0.26CS..SBendtrans-104.9152.3179.9-59.3-56000108.5S306 P312 A317 K320 W402S306-I308 PolarHBondContact O-N 3.5Å; S306-I308 VanDerWaalsContact O-N 3.16Å; I308-P312 HydrophobicContact CG2-CB 3.7Å; I308-P312 HydrophobicContact CG2-CG 3.67Å; I308-A317 HydrophobicContact CG2-CB 4.45Å; I308-K320 HydrophobicContact CD1-CB 4.39Å; I308-K320 HydrophobicContact CD1-CD 4.08Å; I308-K320 HydrophobicContact CD1-CG 4.07Å; I308-W402 HydrophobicContact CD1-CH2 3.37Å; I308-W402 HydrophobicContact CD1-CZ2 4.05Å; I308-W402 HydrophobicContact CD1-CZ3 4.1Å
309A97.6Very high96.5Very high2 Ų243.2 Ų43.22%0.01726%0.261CS..  trans-55.8146.2175.900000112Q311 P312 Y398 L400 S403A309-Q311 CarbonylContact O-C 3.52Å; A309-Q311 PolarHBondContact O-N 2.99Å; A309-P312 VanDerWaalsContact O-CD 3.26Å; A309-P312 WeakPolarHBondContact O-CD 3.3Å; A309-Y398 WeakPolarHBondContact CA-OH 3.4Å; A309-Y398 HydrophobicContact CB-CE1 3.89Å; A309-L400 HydrophobicContact CB-CB 4.05Å; A309-S403 WeakPolarHBondContact CB-OG 3.35Å; A309-S403 PolarHBondContact N-OG 3.39Å
310P96.6Very high96.7Very high77 Ų7747.4 Ų47.450%0.528%0.279SS..SBendtrans-54-26.6178.7-28.635.5000114.8Y398 T408P310-Y398 WeakPolarHBondContact CD-OH 3.41Å; P310-T408 HydrophobicContact CB-CG2 4.04Å; P310-T408 WeakPolarHBondContact O-CG2 3.41Å
311Q97.9Very high96.8Very high11 Ų1145 Ų455%0.05126%0.264CS..EExtended strand (participates in β ladder)trans-118.291.4166-175.564.380.400109.2A309 I348 G404 L405 V407 T408A309-Q311 CarbonylContact O-C 3.52Å; A309-Q311 PolarHBondContact O-N 2.99Å; Q311-I348 HydrophobicContact CG-CD1 4.02Å; Q311-I348 HydrophobicContact CG-CG1 4.11Å; Q311-G404 CarbonylContact O-C 3.55Å; Q311-G404 WeakPolarHBondContact O-CA 3.46Å; Q311-L405 HydrophobicContact CB-CB 4.14Å; Q311-L405 HydrophobicContact CG-CB 4.47Å; Q311-L405 PolarHBondContact N-O 3.45Å; Q311-L405 VanDerWaalsContact N-O 3.11Å; Q311-L405 PolarHBondContact O-N 3.34Å; Q311-V407 WeakPolarHBondContact CB-O 3.19Å; Q311-T408 HydrophobicContact CB-CG2 4.19Å
312P98.4Very high96.8Very high1 Ų143.5 Ų43.51%0.00625%0.25CC..EExtended strand (participates in β ladder)trans-59.7143.6174.3-16.927.7000111I308 A309 A317 E345 N346 F347 I348 S403I308-P312 HydrophobicContact CG2-CB 3.7Å; I308-P312 HydrophobicContact CG2-CG 3.67Å; A309-P312 VanDerWaalsContact O-CD 3.26Å; A309-P312 WeakPolarHBondContact O-CD 3.3Å; P312-A317 HydrophobicContact CB-CB 3.96Å; P312-E345 HydrophobicContact CG-CG 3.97Å; P312-N346 WeakPolarHBondContact CD-O 3.3Å; P312-N346 VanDerWaalsContact CG-O 3.28Å; P312-N346 WeakPolarHBondContact CG-O 3.48Å; P312-F347 HydrophobicContact CB-CB 3.79Å; P312-F347 WeakPolarHBondContact O-CA 3.27Å; P312-I348 PolarHBondContact O-N 2.98Å; P312-S403 WeakPolarHBondContact CA-O 3.25Å
313V98.4Very high96.9Very high43 Ų4342.8 Ų42.826%0.26125%0.246SC..BIsolated β-bridgetrans-122.8123.9179.3178.50000110.1A317 I348 W356 S403 L405V313-A317 WeakPolarHBondContact O-CB 3.45Å; V313-I348 CarbonylContact C-O 3.54Å; V313-I348 WeakPolarHBondContact CA-O 3.29Å; V313-I348 HydrophobicContact CG2-CD1 4.05Å; V313-I348 HydrophobicContact CG2-CG1 3.89Å; V313-W356 HydrophobicContact CG1-CH2 4.23Å; V313-W356 HydrophobicContact CG1-CZ3 4.1Å; V313-S403 PolarHBondContact N-O 2.8Å; V313-L405 HydrophobicContact CG2-CD1 4.34Å; V313-L405 HydrophobicContact CG2-CG 3.85Å
314G97.9Very high96.9Very high23 Ų2340.1 Ų40.124%0.23723%0.226CC..SBendtrans81.5156.3-178.800000114A316 A317 G318 F347 I348G314-A316 VanDerWaalsContact C-N 3.31Å; G314-A316 PolarHBondContact O-N 3.17Å; G314-A317 PolarHBondContact O-N 3.19Å; G314-A317 VanDerWaalsContact O-N 3.12Å; G314-G318 PolarHBondContact O-N 2.77Å; G314-F347 VanDerWaalsContact C-CD2 3.49Å; G314-F347 WeakPolarHBondContact O-CD2 3.27Å; G314-I348 PolarHBondContact N-O 2.86Å
315Y97.6Very high97.1Very high82 Ų8240.7 Ų40.732%0.32223%0.226SC..Hα-helixtrans-52.5-44.8-177.1-72.1-89000113.3A317 G318 A319 F347 A349 L351 I359 F376Y315-A317 VanDerWaalsContact C-N 3.3Å; Y315-A317 PolarHBondContact O-N 3.32Å; Y315-G318 PolarHBondContact O-N 2.85Å; Y315-A319 PolarHBondContact O-N 2.82Å; Y315-F347 HydrophobicContact CD1-CE1 4.47Å; Y315-F347 AromaticContact CD1-CE2 3.76Å; Y315-F347 HydrophobicContact CD1-CE2 3.76Å; Y315-F347 AromaticContact CD1-CZ 3.4Å; Y315-F347 HydrophobicContact CD1-CZ 3.4Å; Y315-F347 HydrophobicContact CD2-CE2 4.15Å; Y315-F347 HydrophobicContact CE1-CE2 4.04Å; Y315-F347 AromaticContact CE1-CZ 3.64Å; Y315-F347 HydrophobicContact CE1-CZ 3.64Å; Y315-F347 HydrophobicContact CE2-CE2 4.4Å; Y315-F347 AromaticContact CG-CE2 3.82Å; Y315-F347 HydrophobicContact CG-CE2 3.82Å; Y315-F347 AromaticContact CG-CZ 3.93Å; Y315-F347 HydrophobicContact CG-CZ 3.93Å; Y315-A349 HydrophobicContact CD2-CB 4.46Å; Y315-A349 HydrophobicContact CE2-CB 4.15Å; Y315-L351 HydrophobicContact CE2-CD2 3.79Å; Y315-L351 VanDerWaalsContact OH-CD2 3.23Å; Y315-L351 WeakPolarHBondContact OH-CD2 3.46Å; Y315-I359 HydrophobicContact CE1-CD1 4.29Å; Y315-F376 HydrophobicContact CD1-CD1 4.36Å; Y315-F376 AromaticContact CD1-CE1 3.75Å; Y315-F376 HydrophobicContact CD1-CE1 3.75Å; Y315-F376 AromaticContact CD1-CZ 3.89Å; Y315-F376 HydrophobicContact CD1-CZ 3.89Å; Y315-F376 HydrophobicContact CE1-CD1 4.3Å; Y315-F376 HydrophobicContact CE1-CE1 4.12Å; Y315-F376 HydrophobicContact CE1-CZ 4.32Å
316A97.3Very high97.4Very high82 Ų8232.4 Ų32.468%0.67819%0.187SC*.Hα-helixtrans-61.9-34.9-178.800000113.1G314 K320G314-A316 VanDerWaalsContact C-N 3.31Å; G314-A316 PolarHBondContact O-N 3.17Å; A316-K320 WeakPolarHBondContact O-CB 3.29Å; A316-K320 PolarHBondContact O-N 2.81Å; A316-K320 VanDerWaalsContact O-N 3.08Å
317A97.9Very high97.5Very high7 Ų734.1 Ų34.16%0.05819%0.194CC..Hα-helixtrans-74-38.3176.200000111.8I308 P312 V313 G314 Y315 G321 S403I308-A317 HydrophobicContact CG2-CB 4.45Å; P312-A317 HydrophobicContact CB-CB 3.96Å; V313-A317 WeakPolarHBondContact O-CB 3.45Å; G314-A317 PolarHBondContact O-N 3.19Å; G314-A317 VanDerWaalsContact O-N 3.12Å; Y315-A317 VanDerWaalsContact C-N 3.3Å; Y315-A317 PolarHBondContact O-N 3.32Å; A317-G321 PolarHBondContact O-N 3.02Å; A317-S403 WeakPolarHBondContact CB-O 3.38Å
318G97.8Very high97.6Very high0 Ų030.3 Ų30.30%018%0.179CC..Hα-helixtrans-61.7-56.1173.600000112.4G314 Y315 K320 G321 A322 E345G314-G318 PolarHBondContact O-N 2.77Å; Y315-G318 PolarHBondContact O-N 2.85Å; G318-K320 VanDerWaalsContact C-N 3.35Å; G318-K320 PolarHBondContact O-N 2.73Å; G318-G321 PolarHBondContact O-N 3.27Å; G318-G321 VanDerWaalsContact O-N 3.14Å; G318-A322 PolarHBondContact O-N 3.02Å; G318-E345 WeakPolarHBondContact O-CB 3.27Å
319A97.8Very high97.6Very high23 Ų2330.1 Ų30.119%0.1918%0.178CC..Hα-helixtrans-58.8-44.617900000112Y315 G321 A322 Q323 I363Y315-A319 PolarHBondContact O-N 2.82Å; A319-G321 PolarHBondContact O-N 2.85Å; A319-A322 PolarHBondContact O-N 2.86Å; A319-Q323 PolarHBondContact O-N 2.76Å; A319-I363 WeakPolarHBondContact O-CD1 3.32Å
320K97.9Very high97.5Very high91 Ų9132.6 Ų32.640%0.39619%0.187SC..Hα-helixtrans-63.5-38.3176-174.9174.5169.7176.30112.6I308 A316 G318 Q323 E324 W402I308-K320 HydrophobicContact CD1-CB 4.39Å; I308-K320 HydrophobicContact CD1-CD 4.08Å; I308-K320 HydrophobicContact CD1-CG 4.07Å; A316-K320 WeakPolarHBondContact O-CB 3.29Å; A316-K320 PolarHBondContact O-N 2.81Å; A316-K320 VanDerWaalsContact O-N 3.08Å; G318-K320 VanDerWaalsContact C-N 3.35Å; G318-K320 PolarHBondContact O-N 2.73Å; K320-Q323 PolarHBondContact O-N 3.33Å; K320-E324 WeakPolarHBondContact CE-OE1 3.38Å; K320-E324 HydrophobicContact CG-CG 4.29Å; K320-E324 IonicContact NZ-OE1 2.74Å; K320-E324 WeakPolarHBondContact O-CB 3.14Å; K320-E324 WeakPolarHBondContact O-CG 3.34Å; K320-E324 PolarHBondContact O-N 2.71Å; K320-W402 HydrophobicContact CD-CH2 4.01Å; K320-W402 HydrophobicContact CD-CZ3 4.11Å; K320-W402 VanDerWaalsContact NZ-CH2 3.25Å
321G98Very high97.5Very high0 Ų037.8 Ų37.80%020%0.196CC..Hα-helixtrans-66.7-38.9176.600000113S306 A317 G318 A319 R325 E345S306-G321 WeakPolarHBondContact CB-O 3.32Å; A317-G321 PolarHBondContact O-N 3.02Å; G318-G321 PolarHBondContact O-N 3.27Å; G318-G321 VanDerWaalsContact O-N 3.14Å; A319-G321 PolarHBondContact O-N 2.85Å; G321-R325 WeakPolarHBondContact O-CG 3.08Å; G321-R325 PolarHBondContact O-N 2.97Å; G321-E345 WeakPolarHBondContact CA-OE2 3.17Å
322A98.1Very high97.3Very high0 Ų040.7 Ų40.70%022%0.222CC..Hα-helixtrans-64.5-48172.400000111.4G318 A319 R325 I326 A343 E345 I363G318-A322 PolarHBondContact O-N 3.02Å; A319-A322 PolarHBondContact O-N 2.86Å; A322-R325 WeakPolarHBondContact O-CB 3.4Å; A322-R325 PolarHBondContact O-N 2.92Å; A322-I326 PolarHBondContact O-N 2.81Å; A322-A343 HydrophobicContact CB-CB 4.07Å; A322-A343 WeakPolarHBondContact O-CB 3.25Å; A322-E345 HydrophobicContact CB-CB 3.95Å; A322-I363 HydrophobicContact CB-CB 4.31Å; A322-I363 HydrophobicContact CB-CD1 3.76Å; A322-I363 HydrophobicContact CB-CG1 3.91Å
323Q97.8Very high97.1Very high48 Ų4843.5 Ų43.522%0.22425%0.252CS..Hα-helixtrans-62.9-45.2178.3-171.562.347.400112.2A319 K320 R325 I326 D327 I363 E365A319-Q323 PolarHBondContact O-N 2.76Å; K320-Q323 PolarHBondContact O-N 3.33Å; Q323-R325 PolarHBondContact O-N 2.71Å; Q323-R325 VanDerWaalsContact O-N 3.16Å; Q323-I326 PolarHBondContact O-N 2.82Å; Q323-D327 PolarHBondContact NE2-OD1 3.46Å; Q323-D327 PolarHBondContact O-N 2.87Å; Q323-I363 HydrophobicContact CB-CD1 4.39Å; Q323-E365 PolarHBondContact NE2-OE2 3.08Å
324E97.6Very high97Very high28 Ų2845 Ų4513%0.13126%0.261CS..Hα-helixtrans-60.4-27.8178.6-80.6-168.2-164.500112.8N307 K320 G328N307-E324 WeakPolarHBondContact CA-OE2 3.11Å; N307-E324 VanDerWaalsContact CB-OE2 3.24Å; N307-E324 WeakPolarHBondContact CB-OE2 3.26Å; N307-E324 PolarHBondContact N-OE2 2.92Å; N307-E324 PolarHBondContact ND2-OE2 3.45Å; K320-E324 WeakPolarHBondContact CE-OE1 3.38Å; K320-E324 HydrophobicContact CG-CG 4.29Å; K320-E324 IonicContact NZ-OE1 2.74Å; K320-E324 WeakPolarHBondContact O-CB 3.14Å; K320-E324 WeakPolarHBondContact O-CG 3.34Å; K320-E324 PolarHBondContact O-N 2.71Å; E324-G328 WeakPolarHBondContact O-CA 3.22Å; E324-G328 PolarHBondContact O-N 2.93Å
325R97.8Very high96.8Very high31 Ų3144.6 Ų44.612%0.11725%0.253CS..Hα-helixtrans-69.2-38172.9-77179.4-179.9138.821.9112.6A276 S304 S306 G321 A322 Q323 L329 A343 L344 E345A276-R325 HydrophobicContact CB-CB 3.95Å; S304-R325 WeakPolarHBondContact OG-CA 3.38Å; S304-R325 WeakPolarHBondContact OG-CB 3.47Å; S304-R325 PolarHBondContact OG-O 2.92Å; S306-R325 PolarHBondContact OG-NH2 3.09Å; G321-R325 WeakPolarHBondContact O-CG 3.08Å; G321-R325 PolarHBondContact O-N 2.97Å; A322-R325 WeakPolarHBondContact O-CB 3.4Å; A322-R325 PolarHBondContact O-N 2.92Å; Q323-R325 PolarHBondContact O-N 2.71Å; Q323-R325 VanDerWaalsContact O-N 3.16Å; R325-L329 PolarHBondContact O-N 2.95Å; R325-A343 HydrophobicContact CB-CB 4.21Å; R325-L344 PolarHBondContact NH1-O 2.87Å; R325-E345 VanDerWaalsContact CZ-CD 3.43Å; R325-E345 IonicContact CZ-OE1 3.6Å; R325-E345 IonicContact CZ-OE2 3.77Å; R325-E345 IonicContact NE-OE2 3.33Å; R325-E345 IonicContact NH1-OE1 2.81Å; R325-E345 PolarHBondContact NH1-OE1 3.01Å; R325-E345 IonicContact NH1-OE2 2.82Å; R325-E345 PolarHBondContact NH1-OE2 3.38Å; R325-E345 IonicContact NH2-OE1 3.15Å; R325-E345 PolarHBondContact NH2-OE1 3.23Å; R325-E345 IonicContact NH2-OE2 3.14Å; R325-E345 PolarHBondContact NH2-OE2 2.8Å
326I97.6Very high96.6Very high0 Ų046.3 Ų46.30%026%0.264CS..Hα-helixtrans-68.4-51.4174.1-57.2-177.4000109.5A322 Q323 G328 L329 R330 V341 A343 I363 E365A322-I326 PolarHBondContact O-N 2.81Å; Q323-I326 PolarHBondContact O-N 2.82Å; I326-G328 PolarHBondContact O-N 3.29Å; I326-L329 PolarHBondContact O-N 2.84Å; I326-R330 PolarHBondContact O-N 3.42Å; I326-R330 VanDerWaalsContact O-N 3.09Å; I326-V341 HydrophobicContact CB-CG1 4.47Å; I326-V341 HydrophobicContact CD1-CB 4.36Å; I326-V341 HydrophobicContact CD1-CG1 4.47Å; I326-V341 HydrophobicContact CG1-CB 4.29Å; I326-V341 HydrophobicContact CG1-CG1 3.97Å; I326-V341 HydrophobicContact CG2-CB 3.98Å; I326-V341 HydrophobicContact CG2-CG1 4.18Å; I326-V341 HydrophobicContact CG2-CG2 4.09Å; I326-A343 HydrophobicContact CD1-CB 3.98Å; I326-A343 HydrophobicContact CG1-CB 3.61Å; I326-I363 HydrophobicContact CD1-CB 4.42Å; I326-I363 HydrophobicContact CD1-CG2 3.99Å; I326-E365 HydrophobicContact CD1-CB 3.94Å
327D96.5Very high96.3Very high59 Ų5949.7 Ų49.732%0.31627%0.265SS..Hα-helixtrans-60.3-32.9179.2-64.9-8.8000112.3Q323 R331Q323-D327 PolarHBondContact NE2-OD1 3.46Å; Q323-D327 PolarHBondContact O-N 2.87Å; D327-R331 VanDerWaalsContact O-CB 3.27Å; D327-R331 WeakPolarHBondContact O-CB 3.45Å; D327-R331 WeakPolarHBondContact O-CG 3.26Å; D327-R331 PolarHBondContact O-N 3.17Å; D327-R331 PolarHBondContact O-NE 2.78Å
328G96.3Very high95.9Very high20 Ų2055.7 Ų55.721%0.20629%0.29CS..Hα-helixtrans-62.5-51.9174.700000112E324 I326 R330 R331 A332E324-G328 WeakPolarHBondContact O-CA 3.22Å; E324-G328 PolarHBondContact O-N 2.93Å; I326-G328 PolarHBondContact O-N 3.29Å; G328-R330 PolarHBondContact O-N 3.15Å; G328-R331 PolarHBondContact O-N 3.05Å; G328-A332 VanDerWaalsContact O-CB 3.29Å; G328-A332 WeakPolarHBondContact O-CB 3.5Å; G328-A332 PolarHBondContact O-N 3.22Å
329L96.6Very high95.7Very high4 Ų457.5 Ų57.52%0.02130%0.299CS..Hα-helixtrans-63.8-41.3179.5-68.4-179.2000112.4V274 A276 E302 P303 R325 I326 A332 G333 V334 I335V274-L329 HydrophobicContact CG1-CD1 4.32Å; A276-L329 HydrophobicContact CB-CD1 3.63Å; E302-L329 HydrophobicContact CB-CD1 3.8Å; E302-L329 HydrophobicContact CB-CD2 4.03Å; P303-L329 WeakPolarHBondContact O-CD2 3Å; R325-L329 PolarHBondContact O-N 2.95Å; I326-L329 PolarHBondContact O-N 2.84Å; L329-A332 PolarHBondContact O-N 3.22Å; L329-G333 PolarHBondContact O-N 3.31Å; L329-G333 VanDerWaalsContact O-N 3.16Å; L329-V334 HydrophobicContact CD2-CB 4.14Å; L329-V334 HydrophobicContact CD2-CG1 4.13Å; L329-V334 HydrophobicContact CD2-CG2 4.38Å; L329-V334 PolarHBondContact O-N 3.47Å; L329-V334 VanDerWaalsContact O-N 3.13Å; L329-I335 HydrophobicContact CB-CD1 3.63Å; L329-I335 HydrophobicContact CB-CG1 3.78Å; L329-I335 HydrophobicContact CB-CG2 4.3Å; L329-I335 HydrophobicContact CD1-CD1 4.43Å; L329-I335 HydrophobicContact CD1-CG2 4.28Å
330R95.9Very high95.6Very high55 Ų5557.2 Ų57.221%0.20830%0.295CS..Hα-helixtrans-65.9-47176.9-65.6-163.9-169.7133.94.9112.1I326 G328 A332 G333 I335 E365 P367I326-R330 PolarHBondContact O-N 3.42Å; I326-R330 VanDerWaalsContact O-N 3.09Å; G328-R330 PolarHBondContact O-N 3.15Å; R330-A332 PolarHBondContact O-N 3.36Å; R330-G333 PolarHBondContact O-N 3.28Å; R330-I335 HydrophobicContact CG-CD1 3.58Å; R330-I335 HydrophobicContact CG-CG1 3.9Å; R330-E365 IonicContact CZ-OE1 3.49Å; R330-E365 IonicContact CZ-OE2 3.59Å; R330-E365 IonicContact NH1-OE1 2.71Å; R330-E365 PolarHBondContact NH1-OE1 3.42Å; R330-E365 IonicContact NH1-OE2 3.06Å; R330-E365 PolarHBondContact NH1-OE2 2.86Å; R330-E365 VanDerWaalsContact NH2-CD 3.28Å; R330-E365 IonicContact NH2-OE1 3.38Å; R330-E365 PolarHBondContact NH2-OE1 2.93Å; R330-E365 IonicContact NH2-OE2 3.34Å; R330-E365 PolarHBondContact NH2-OE2 2.93Å; R330-P367 VanDerWaalsContact CZ-CG 3.43Å; R330-P367 VanDerWaalsContact NH2-CD 3.33Å; R330-P367 VanDerWaalsContact NH2-CG 3.25Å
331R95.6Very high95.6Very high185 Ų18552.9 Ų52.970%0.69828%0.276SS*.Hα-helixtrans-64.2-29.2177.4-73.7-179.7-63160.2-1.4113D327 G328 G333D327-R331 VanDerWaalsContact O-CB 3.27Å; D327-R331 WeakPolarHBondContact O-CB 3.45Å; D327-R331 WeakPolarHBondContact O-CG 3.26Å; D327-R331 PolarHBondContact O-N 3.17Å; D327-R331 PolarHBondContact O-NE 2.78Å; G328-R331 PolarHBondContact O-N 3.05Å; R331-G333 VanDerWaalsContact C-N 3.31Å
332A95.4Very high95.6Very high72 Ų7252.9 Ų52.960%0.59528%0.276SS*.THydrogen-bonded Turntrans-79.2-11.4174.100000113.6G328 L329 R330 V334G328-A332 VanDerWaalsContact O-CB 3.29Å; G328-A332 WeakPolarHBondContact O-CB 3.5Å; G328-A332 PolarHBondContact O-N 3.22Å; L329-A332 PolarHBondContact O-N 3.22Å; R330-A332 PolarHBondContact O-N 3.36Å; A332-V334 VanDerWaalsContact C-N 3.25Å; A332-V334 HydrophobicContact CB-CG2 3.89Å; A332-V334 PolarHBondContact O-N 3.49Å
333G93.8Very high95.7Very high61 Ų6152.9 Ų52.963%0.62928%0.276SS*.THydrogen-bonded Turntrans68.920.1-176.900000114.3L329 R330 R331 I335L329-G333 PolarHBondContact O-N 3.31Å; L329-G333 VanDerWaalsContact O-N 3.16Å; R330-G333 PolarHBondContact O-N 3.28Å; R331-G333 VanDerWaalsContact C-N 3.31Å; G333-I335 VanDerWaalsContact C-N 3.34Å
334V95Very high95.6Very high75 Ų7551.1 Ų51.146%0.45527%0.268SS..SBendtrans-71.5-34178.4176.40000111E302 L329 A332E302-V334 HydrophobicContact CB-CG1 4.24Å; E302-V334 HydrophobicContact CG-CG1 4Å; E302-V334 WeakPolarHBondContact OE2-CG1 3.49Å; L329-V334 HydrophobicContact CD2-CB 4.14Å; L329-V334 HydrophobicContact CD2-CG1 4.13Å; L329-V334 HydrophobicContact CD2-CG2 4.38Å; L329-V334 PolarHBondContact O-N 3.47Å; L329-V334 VanDerWaalsContact O-N 3.13Å; A332-V334 VanDerWaalsContact C-N 3.25Å; A332-V334 HydrophobicContact CB-CG2 3.89Å; A332-V334 PolarHBondContact O-N 3.49Å
335I94.8Very high95.7Very high14 Ų1450.5 Ų50.57%0.07227%0.265CS..SBendtrans-120.2157.3-177.759.5171.2000110.8V274 E302 L329 R330 G333 V341V274-I335 HydrophobicContact CB-CG2 4.14Å; V274-I335 HydrophobicContact CG1-CG2 3.8Å; V274-I335 HydrophobicContact CG2-CG2 3.85Å; E302-I335 HydrophobicContact CG-CG2 4.32Å; L329-I335 HydrophobicContact CB-CD1 3.63Å; L329-I335 HydrophobicContact CB-CG1 3.78Å; L329-I335 HydrophobicContact CB-CG2 4.3Å; L329-I335 HydrophobicContact CD1-CD1 4.43Å; L329-I335 HydrophobicContact CD1-CG2 4.28Å; R330-I335 HydrophobicContact CG-CD1 3.58Å; R330-I335 HydrophobicContact CG-CG1 3.9Å; G333-I335 VanDerWaalsContact C-N 3.34Å; I335-V341 HydrophobicContact CD1-CG1 4.35Å; I335-V341 HydrophobicContact CD1-CG2 3.39Å
336H92.4Very high95.6Very high117 Ų11750.8 Ų50.854%0.54227%0.269SS..  trans-76.3145.1178-178.467.5000111.8K338 Q339H336-K338 PolarHBondContact CD2-N 2.91Å; H336-K338 PolarHBondContact O-N 3.16Å; H336-K338 VanDerWaalsContact O-N 3.08Å; H336-Q339 HydrophobicContact CB-CB 4.17Å; H336-Q339 WeakPolarHBondContact O-CB 3.16Å; H336-Q339 PolarHBondContact O-N 3.36Å
337E90.9Very high95.7Very high153 Ų15350.8 Ų50.872%0.71527%0.269SS*.THydrogen-bonded Turntrans-57.1-29.2-173.7-63.2-177.3160.400114.2P367E337-P367 WeakPolarHBondContact O-CG 3.39Å
338K90.3Very high95.8Very high134 Ų13448 Ų4858%0.58325%0.254SS*.THydrogen-bonded Turntrans-104.67.4179.5-60.3-173.5176.6-169.80114.2H336H336-K338 PolarHBondContact CD2-N 2.91Å; H336-K338 PolarHBondContact O-N 3.16Å; H336-K338 VanDerWaalsContact O-N 3.08Å
339Q93.1Very high95.8Very high38 Ų3847.2 Ų47.218%0.17825%0.246CC..SBendtrans-76.2136.8-179.3-162168.216.500109.9D272 V274 H336 V341D272-Q339 PolarHBondContact OD2-NE2 3.48Å; V274-Q339 VanDerWaalsContact CG2-CD 3.48Å; V274-Q339 HydrophobicContact CG2-CG 4.16Å; H336-Q339 HydrophobicContact CB-CB 4.17Å; H336-Q339 WeakPolarHBondContact O-CB 3.16Å; H336-Q339 PolarHBondContact O-N 3.36Å; Q339-V341 WeakPolarHBondContact O-CG2 3.44Å; Q339-V341 PolarHBondContact O-N 3.28Å
340P96.4Very high95.9Very high16 Ų1651.6 Ų51.610%0.10427%0.266CS..  trans-63.4130.1170.9-21.233.3000111I273 V274 D366 Y449I273-P340 HydrophobicContact CG1-CB 4.33Å; V274-P340 PolarHBondContact N-O 2.77Å; P340-D366 HydrophobicContact CB-CB 4.13Å; P340-D366 HydrophobicContact CG-CB 4.23Å; P340-Y449 HydrophobicContact CB-CE1 4.46Å; P340-Y449 WeakPolarHBondContact CB-OH 3.22Å; P340-Y449 WeakPolarHBondContact CG-OH 3.45Å
341V98.3Very high95.9Very high0 Ų051.1 Ų51.10%027%0.268CS..EExtended strand (participates in β ladder)trans-125136.4179.9-1640000110.1V274 A276 I326 I335 Q339 L364 E365V274-V341 HydrophobicContact CB-CG1 4.5Å; V274-V341 CarbonylContact O-C 3.5Å; V274-V341 VanDerWaalsContact O-CA 3.27Å; V274-V341 WeakPolarHBondContact O-CA 3.32Å; A276-V341 HydrophobicContact CB-CG1 4.14Å; I326-V341 HydrophobicContact CB-CG1 4.47Å; I326-V341 HydrophobicContact CD1-CB 4.36Å; I326-V341 HydrophobicContact CD1-CG1 4.47Å; I326-V341 HydrophobicContact CG1-CB 4.29Å; I326-V341 HydrophobicContact CG1-CG1 3.97Å; I326-V341 HydrophobicContact CG2-CB 3.98Å; I326-V341 HydrophobicContact CG2-CG1 4.18Å; I326-V341 HydrophobicContact CG2-CG2 4.09Å; I335-V341 HydrophobicContact CD1-CG1 4.35Å; I335-V341 HydrophobicContact CD1-CG2 3.39Å; Q339-V341 WeakPolarHBondContact O-CG2 3.44Å; Q339-V341 PolarHBondContact O-N 3.28Å; V341-L364 CarbonylContact O-C 3.43Å; V341-L364 VanDerWaalsContact O-CA 3.27Å; V341-L364 WeakPolarHBondContact O-CA 3.4Å; V341-E365 PolarHBondContact N-O 3.15Å; V341-E365 PolarHBondContact O-N 2.91Å
342V98.6Very high95.8Very high1 Ų148 Ų481%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-111122.9168.7177.40000109.6I273 V274 V275 A276 V286 F290 I363 L364 L445I273-V342 HydrophobicContact CG2-CG2 3.85Å; V274-V342 PolarHBondContact O-N 3.19Å; V275-V342 CarbonylContact C-O 3.54Å; V275-V342 VanDerWaalsContact CA-O 3.26Å; V275-V342 WeakPolarHBondContact CA-O 3.21Å; A276-V342 PolarHBondContact N-O 2.99Å; V286-V342 HydrophobicContact CG1-CG1 4.36Å; V286-V342 HydrophobicContact CG2-CG1 4.29Å; F290-V342 HydrophobicContact CE2-CG2 4.25Å; F290-V342 HydrophobicContact CZ-CG2 4.05Å; V342-I363 CarbonylContact C-O 3.59Å; V342-I363 VanDerWaalsContact CA-O 3.3Å; V342-I363 WeakPolarHBondContact CA-O 3.43Å; V342-L364 HydrophobicContact CG2-CB 4.12Å; V342-L364 HydrophobicContact CG2-CD1 3.83Å; V342-L364 HydrophobicContact CG2-CG 4.09Å; V342-L445 HydrophobicContact CG1-CD2 3.97Å; V342-L445 HydrophobicContact CG2-CD2 4.28Å
343A98.3Very high95.9Very high0 Ų050 Ų500%027%0.266CS..EExtended strand (participates in β ladder)trans-109.5150.6167.200000110.9A276 A322 R325 I326 L362 I363A276-A343 HydrophobicContact CB-CB 4.07Å; A322-A343 HydrophobicContact CB-CB 4.07Å; A322-A343 WeakPolarHBondContact O-CB 3.25Å; R325-A343 HydrophobicContact CB-CB 4.21Å; I326-A343 HydrophobicContact CD1-CB 3.98Å; I326-A343 HydrophobicContact CG1-CB 3.61Å; A343-L362 CarbonylContact O-C 3.59Å; A343-L362 VanDerWaalsContact O-CA 3.29Å; A343-L362 WeakPolarHBondContact O-CA 3.36Å; A343-I363 PolarHBondContact N-O 3.43Å; A343-I363 PolarHBondContact O-N 3.39Å
344L97.7Very high95.9Very high11 Ų1153.9 Ų53.96%0.05827%0.268CS..EExtended strand (participates in β ladder)trans-126.9133.1172.2168.469.2000108.2R325 C361 L362 I438R325-L344 PolarHBondContact NH1-O 2.87Å; L344-C361 CarbonylContact C-O 3.49Å; L344-C361 WeakPolarHBondContact CA-O 3.28Å; L344-L362 HydrophobicContact CD1-CD1 3.56Å; L344-L362 HydrophobicContact CD1-CG 3.81Å; L344-I438 HydrophobicContact CD2-CD1 3.49Å; L344-I438 VanDerWaalsContact CD2-CD1 3.49Å; L344-I438 HydrophobicContact CD2-CG1 3.75Å; L344-I438 HydrophobicContact CD2-CG2 4.03Å
345E97.8Very high95.9Very high15 Ų1556.3 Ų56.37%0.0727%0.272CS..EExtended strand (participates in β ladder)trans-134.9127.6168.8-173.373.1-77.100110.2S306 P312 G318 G321 A322 R325 C361S306-E345 PolarHBondContact OG-OE2 3.22Å; P312-E345 HydrophobicContact CG-CG 3.97Å; G318-E345 WeakPolarHBondContact O-CB 3.27Å; G321-E345 WeakPolarHBondContact CA-OE2 3.17Å; A322-E345 HydrophobicContact CB-CB 3.95Å; R325-E345 VanDerWaalsContact CZ-CD 3.43Å; R325-E345 IonicContact CZ-OE1 3.6Å; R325-E345 IonicContact CZ-OE2 3.77Å; R325-E345 IonicContact NE-OE2 3.33Å; R325-E345 IonicContact NH1-OE1 2.81Å; R325-E345 PolarHBondContact NH1-OE1 3.01Å; R325-E345 IonicContact NH1-OE2 2.82Å; R325-E345 PolarHBondContact NH1-OE2 3.38Å; R325-E345 IonicContact NH2-OE1 3.15Å; R325-E345 PolarHBondContact NH2-OE1 3.23Å; R325-E345 IonicContact NH2-OE2 3.14Å; R325-E345 PolarHBondContact NH2-OE2 2.8Å; E345-C361 PolarHBondContact N-O 3.49Å; E345-C361 PolarHBondContact O-N 2.77Å
346N97.1Very high96.1Very high36 Ų3657 Ų5719%0.19327%0.274CS..EExtended strand (participates in β ladder)trans-93.8133.6177.7-62.1-22.8000109.7P312 I359 G360 Q434P312-N346 WeakPolarHBondContact CD-O 3.3Å; P312-N346 VanDerWaalsContact CG-O 3.28Å; P312-N346 WeakPolarHBondContact CG-O 3.48Å; N346-I359 CarbonylContact C-O 3.58Å; N346-I359 WeakPolarHBondContact CA-O 3.34Å; N346-G360 WeakPolarHBondContact OD1-CA 3.43Å; N346-Q434 PolarHBondContact ND2-NE2 3.3Å
347F98.3Very high96.4Very high0 Ų052.9 Ų52.90%026%0.255CS..EExtended strand (participates in β ladder)trans-134.9159.4179.467.6-83000110.6P312 G314 Y315 A349 I359 C361 F376P312-F347 HydrophobicContact CB-CB 3.79Å; P312-F347 WeakPolarHBondContact O-CA 3.27Å; G314-F347 VanDerWaalsContact C-CD2 3.49Å; G314-F347 WeakPolarHBondContact O-CD2 3.27Å; Y315-F347 HydrophobicContact CD1-CE1 4.47Å; Y315-F347 AromaticContact CD1-CE2 3.76Å; Y315-F347 HydrophobicContact CD1-CE2 3.76Å; Y315-F347 AromaticContact CD1-CZ 3.4Å; Y315-F347 HydrophobicContact CD1-CZ 3.4Å; Y315-F347 HydrophobicContact CD2-CE2 4.15Å; Y315-F347 HydrophobicContact CE1-CE2 4.04Å; Y315-F347 AromaticContact CE1-CZ 3.64Å; Y315-F347 HydrophobicContact CE1-CZ 3.64Å; Y315-F347 HydrophobicContact CE2-CE2 4.4Å; Y315-F347 AromaticContact CG-CE2 3.82Å; Y315-F347 HydrophobicContact CG-CE2 3.82Å; Y315-F347 AromaticContact CG-CZ 3.93Å; Y315-F347 HydrophobicContact CG-CZ 3.93Å; F347-A349 HydrophobicContact CD2-CB 4.16Å; F347-A349 HydrophobicContact CE2-CB 3.91Å; F347-I359 HydrophobicContact CD1-CB 4.4Å; F347-I359 WeakPolarHBondContact CD1-O 3.11Å; F347-I359 HydrophobicContact CE1-CB 3.81Å; F347-I359 HydrophobicContact CE1-CG2 3.84Å; F347-I359 WeakPolarHBondContact CE1-O 3.36Å; F347-I359 HydrophobicContact CE2-CB 4.09Å; F347-I359 HydrophobicContact CE2-CD1 4.09Å; F347-I359 HydrophobicContact CZ-CB 3.63Å; F347-I359 HydrophobicContact CZ-CD1 4.08Å; F347-I359 HydrophobicContact CZ-CG1 4.39Å; F347-I359 HydrophobicContact CZ-CG2 3.73Å; F347-I359 PolarHBondContact N-O 3.16Å; F347-I359 PolarHBondContact O-N 3.11Å; F347-C361 HydrophobicContact CD1-CB 4.33Å; F347-C361 HydrophobicContact CE1-CB 3.99Å; F347-F376 AromaticContact CE1-CD1 3.99Å; F347-F376 HydrophobicContact CE1-CD1 3.99Å; F347-F376 AromaticContact CE1-CE1 3.97Å; F347-F376 HydrophobicContact CE1-CE1 3.97Å; F347-F376 HydrophobicContact CZ-CD1 4.09Å; F347-F376 HydrophobicContact CZ-CE1 4.03Å
348I98.4Very high96.7Very high0 Ų046 Ų460%022%0.223CC..EExtended strand (participates in β ladder)trans-103.8141.2170.254.4166.5000111.1Q311 P312 V313 G314 W356 F357 D358 L382 I387 L405 V409Q311-I348 HydrophobicContact CG-CD1 4.02Å; Q311-I348 HydrophobicContact CG-CG1 4.11Å; P312-I348 PolarHBondContact O-N 2.98Å; V313-I348 CarbonylContact C-O 3.54Å; V313-I348 WeakPolarHBondContact CA-O 3.29Å; V313-I348 HydrophobicContact CG2-CD1 4.05Å; V313-I348 HydrophobicContact CG2-CG1 3.89Å; G314-I348 PolarHBondContact N-O 2.86Å; I348-W356 HydrophobicContact CB-CE3 4.27Å; I348-W356 HydrophobicContact CD1-CE3 4.24Å; I348-W356 HydrophobicContact CD1-CZ3 4.18Å; I348-W356 HydrophobicContact CG1-CE3 4.42Å; I348-W356 HydrophobicContact CG1-CZ3 4.29Å; I348-F357 CarbonylContact C-O 3.54Å; I348-F357 VanDerWaalsContact CA-O 3.23Å; I348-F357 WeakPolarHBondContact CA-O 3.36Å; I348-D358 HydrophobicContact CG2-CB 4.46Å; I348-L382 HydrophobicContact CB-CD1 4.39Å; I348-L382 HydrophobicContact CG2-CD1 3.45Å; I348-L382 VanDerWaalsContact CG2-CD1 3.45Å; I348-I387 HydrophobicContact CD1-CD1 3.86Å; I348-I387 HydrophobicContact CD1-CG2 4.46Å; I348-L405 HydrophobicContact CD1-CD1 4.28Å; I348-V409 HydrophobicContact CD1-CG2 4.28Å; I348-V409 HydrophobicContact CG2-CG2 4.11Å
349A98.3Very high97.1Very high5 Ų539.8 Ų39.84%0.04120%0.196CC..EExtended strand (participates in β ladder)trans-141.3143.4176.900000112.1Y315 F347 L351 W356 F357 I359Y315-A349 HydrophobicContact CD2-CB 4.46Å; Y315-A349 HydrophobicContact CE2-CB 4.15Å; F347-A349 HydrophobicContact CD2-CB 4.16Å; F347-A349 HydrophobicContact CE2-CB 3.91Å; A349-L351 HydrophobicContact CB-CD2 4.03Å; A349-W356 CarbonylContact O-C 3.56Å; A349-W356 WeakPolarHBondContact O-CA 3.39Å; A349-F357 PolarHBondContact N-O 3.08Å; A349-F357 PolarHBondContact O-N 3.07Å; A349-I359 HydrophobicContact CB-CD1 4.47Å
350E97.3Very high97.3Very high95 Ų9538 Ų3844%0.44419%0.187SC..EExtended strand (participates in β ladder)trans-82.2113.3166.2-169.4171.3179.200108.6F352 P353 E354 K355 W356E350-F352 WeakPolarHBondContact CG-O 3.23Å; E350-P353 WeakPolarHBondContact OE1-CA 3.49Å; E350-E354 PolarHBondContact OE1-N 3.05Å; E350-K355 WeakPolarHBondContact CA-O 3.29Å; E350-W356 HydrophobicContact CB-CD2 3.95Å; E350-W356 HydrophobicContact CB-CE3 4.3Å; E350-W356 HydrophobicContact CB-CG 4.49Å; E350-W356 HydrophobicContact CB-CH2 4.16Å; E350-W356 HydrophobicContact CB-CZ2 3.79Å; E350-W356 HydrophobicContact CB-CZ3 4.39Å; E350-W356 HydrophobicContact CG-CZ2 4.46Å; E350-W356 WeakPolarHBondContact OE2-CZ2 3.36Å
351L95.5Very high97.4Very high46 Ų4637.2 Ų37.224%0.24118%0.183CC..EExtended strand (participates in β ladder)trans-98.4-21.5-179.3-56.2-174.3000112.7Y315 A349 K355 F357 I359 A379Y315-L351 HydrophobicContact CE2-CD2 3.79Å; Y315-L351 VanDerWaalsContact OH-CD2 3.23Å; Y315-L351 WeakPolarHBondContact OH-CD2 3.46Å; A349-L351 HydrophobicContact CB-CD2 4.03Å; L351-K355 PolarHBondContact N-O 3.14Å; L351-F357 HydrophobicContact CB-CD2 3.79Å; L351-F357 HydrophobicContact CB-CE2 3.8Å; L351-F357 HydrophobicContact CD1-CB 4.21Å; L351-F357 HydrophobicContact CD1-CD1 4.46Å; L351-F357 HydrophobicContact CD1-CD2 3.6Å; L351-F357 HydrophobicContact CD1-CE2 4.06Å; L351-F357 HydrophobicContact CD1-CG 3.84Å; L351-F357 HydrophobicContact CG-CB 4.45Å; L351-F357 HydrophobicContact CG-CD2 3.52Å; L351-F357 HydrophobicContact CG-CE2 4.04Å; L351-F357 HydrophobicContact CG-CG 4.17Å; L351-I359 HydrophobicContact CD1-CD1 4.23Å; L351-I359 HydrophobicContact CD2-CD1 4.28Å; L351-A379 HydrophobicContact CD1-CB 4.31Å
352F95Very high97.4Very high120 Ų12037.2 Ų37.253%0.52618%0.183SC..EExtended strand (participates in β ladder)trans-143.6158.1171.7-48.2-87.2000107.6E350 E354 K355 F357E350-F352 WeakPolarHBondContact CG-O 3.23Å; F352-E354 PolarHBondContact O-N 2.84Å; F352-K355 HydrophobicContact CB-CB 4.11Å; F352-K355 HydrophobicContact CB-CD 4.13Å; F352-K355 HydrophobicContact CB-CG 4.34Å; F352-K355 HydrophobicContact CD2-CB 4.34Å; F352-K355 HydrophobicContact CD2-CD 4.26Å; F352-K355 PolarHBondContact O-N 2.97Å; F352-F357 HydrophobicContact CD2-CE2 4.07Å; F352-F357 HydrophobicContact CD2-CZ 4.31Å; F352-F357 HydrophobicContact CE2-CE2 4.37Å; F352-F357 HydrophobicContact CE2-CZ 4.33Å
353P95.9Very high97.4Very high113 Ų11337.7 Ų37.773%0.73419%0.185SC*.THydrogen-bonded Turntrans-47.6124.7177.6-29.636.2000112.4E350 K355E350-P353 WeakPolarHBondContact OE1-CA 3.49Å; P353-K355 PolarHBondContact O-N 3.29Å; P353-K355 VanDerWaalsContact O-N 3.15Å
354E94Very high97.4Very high142 Ų14237.7 Ų37.766%0.66419%0.185SC*.THydrogen-bonded Turntrans63.64.9-177.8-59.5179173.400115.7E350 F352 L384E350-E354 PolarHBondContact OE1-N 3.05Å; F352-E354 PolarHBondContact O-N 2.84Å; E354-L384 HydrophobicContact CB-CD2 4.18Å; E354-L384 HydrophobicContact CG-CD2 4.21Å
355K96.8Very high97.5Very high126 Ų12638.9 Ų38.955%0.54819%0.19SC..EExtended strand (participates in β ladder)trans-109.8104.5-178.9-59.1-172.3-173175.30111.6E350 L351 F352 P353 F357E350-K355 WeakPolarHBondContact CA-O 3.29Å; L351-K355 PolarHBondContact N-O 3.14Å; F352-K355 HydrophobicContact CB-CB 4.11Å; F352-K355 HydrophobicContact CB-CD 4.13Å; F352-K355 HydrophobicContact CB-CG 4.34Å; F352-K355 HydrophobicContact CD2-CB 4.34Å; F352-K355 HydrophobicContact CD2-CD 4.26Å; F352-K355 PolarHBondContact O-N 2.97Å; P353-K355 PolarHBondContact O-N 3.29Å; P353-K355 VanDerWaalsContact O-N 3.15Å; K355-F357 HydrophobicContact CB-CE2 3.85Å; K355-F357 HydrophobicContact CB-CZ 4.38Å; K355-F357 WeakPolarHBondContact O-CD2 3.4Å; K355-F357 WeakPolarHBondContact O-CE2 3.09Å
356W97.9Very high97.4Very high28 Ų2838.2 Ų38.211%0.10619%0.187CC..EExtended strand (participates in β ladder)trans-97.5150.5-179.5-72.579.8000112V313 I348 A349 E350 L382 I387V313-W356 HydrophobicContact CG1-CH2 4.23Å; V313-W356 HydrophobicContact CG1-CZ3 4.1Å; I348-W356 HydrophobicContact CB-CE3 4.27Å; I348-W356 HydrophobicContact CD1-CE3 4.24Å; I348-W356 HydrophobicContact CD1-CZ3 4.18Å; I348-W356 HydrophobicContact CG1-CE3 4.42Å; I348-W356 HydrophobicContact CG1-CZ3 4.29Å; A349-W356 CarbonylContact O-C 3.56Å; A349-W356 WeakPolarHBondContact O-CA 3.39Å; E350-W356 HydrophobicContact CB-CD2 3.95Å; E350-W356 HydrophobicContact CB-CE3 4.3Å; E350-W356 HydrophobicContact CB-CG 4.49Å; E350-W356 HydrophobicContact CB-CH2 4.16Å; E350-W356 HydrophobicContact CB-CZ2 3.79Å; E350-W356 HydrophobicContact CB-CZ3 4.39Å; E350-W356 HydrophobicContact CG-CZ2 4.46Å; E350-W356 WeakPolarHBondContact OE2-CZ2 3.36Å; W356-L382 HydrophobicContact CB-CB 4.13Å; W356-L382 PolarHBondContact O-N 3.48Å; W356-I387 HydrophobicContact CB-CD1 4.18Å; W356-I387 HydrophobicContact CB-CG1 3.74Å; W356-I387 HydrophobicContact CD2-CB 4.48Å; W356-I387 HydrophobicContact CD2-CG1 4.03Å; W356-I387 HydrophobicContact CD2-CG2 3.86Å; W356-I387 HydrophobicContact CE3-CG1 4.47Å; W356-I387 HydrophobicContact CE3-CG2 4.13Å; W356-I387 HydrophobicContact CG-CB 4.42Å; W356-I387 HydrophobicContact CG-CD1 4.41Å; W356-I387 HydrophobicContact CG-CG1 3.69Å; W356-I387 HydrophobicContact CG-CG2 4.3Å; W356-I387 HydrophobicContact CH2-CG2 4.44Å; W356-I387 HydrophobicContact CZ2-CG2 4.19Å; W356-I387 HydrophobicContact CZ3-CG2 4.41Å
357F98.1Very high97.3Very high32 Ų3238.9 Ų38.914%0.1419%0.193CC..EExtended strand (participates in β ladder)trans-141.9144.5-178.9-60.9-99.3000110.6I348 A349 L351 F352 K355 I359 A379 T380 P381I348-F357 CarbonylContact C-O 3.54Å; I348-F357 VanDerWaalsContact CA-O 3.23Å; I348-F357 WeakPolarHBondContact CA-O 3.36Å; A349-F357 PolarHBondContact N-O 3.08Å; A349-F357 PolarHBondContact O-N 3.07Å; L351-F357 HydrophobicContact CB-CD2 3.79Å; L351-F357 HydrophobicContact CB-CE2 3.8Å; L351-F357 HydrophobicContact CD1-CB 4.21Å; L351-F357 HydrophobicContact CD1-CD1 4.46Å; L351-F357 HydrophobicContact CD1-CD2 3.6Å; L351-F357 HydrophobicContact CD1-CE2 4.06Å; L351-F357 HydrophobicContact CD1-CG 3.84Å; L351-F357 HydrophobicContact CG-CB 4.45Å; L351-F357 HydrophobicContact CG-CD2 3.52Å; L351-F357 HydrophobicContact CG-CE2 4.04Å; L351-F357 HydrophobicContact CG-CG 4.17Å; F352-F357 HydrophobicContact CD2-CE2 4.07Å; F352-F357 HydrophobicContact CD2-CZ 4.31Å; F352-F357 HydrophobicContact CE2-CE2 4.37Å; F352-F357 HydrophobicContact CE2-CZ 4.33Å; K355-F357 HydrophobicContact CB-CE2 3.85Å; K355-F357 HydrophobicContact CB-CZ 4.38Å; K355-F357 WeakPolarHBondContact O-CD2 3.4Å; K355-F357 WeakPolarHBondContact O-CE2 3.09Å; F357-I359 HydrophobicContact CB-CG1 4.34Å; F357-A379 HydrophobicContact CB-CB 4.05Å; F357-A379 HydrophobicContact CD1-CB 3.85Å; F357-A379 HydrophobicContact CG-CB 4.19Å; F357-T380 CarbonylContact C-O 3.09Å; F357-T380 WeakPolarHBondContact CA-O 3.39Å; F357-P381 HydrophobicContact CD1-CB 4.19Å; F357-P381 HydrophobicContact CE1-CB 4.04Å
358D98Very high97Very high8 Ų840.7 Ų40.74%0.04321%0.212CC..EExtended strand (participates in β ladder)trans-88.4133.3164.1-178.782.9000109.6I348 T380 L382 W425 H426I348-D358 HydrophobicContact CG2-CB 4.46Å; D358-T380 PolarHBondContact N-O 3.4Å; D358-T380 PolarHBondContact O-N 3.31Å; D358-L382 HydrophobicContact CB-CD1 4.07Å; D358-L382 HydrophobicContact CB-CG 4.41Å; D358-W425 HydrophobicContact CB-CH2 3.8Å; D358-W425 HydrophobicContact CB-CZ2 3.76Å; D358-H426 IonicContact OD2-CD2 3.99Å; D358-H426 IonicContact OD2-CE1 3.88Å; D358-H426 PolarHBondContact OD2-CE1 3.15Å; D358-H426 IonicContact OD2-NE2 2.71Å; D358-H426 PolarHBondContact OD2-NE2 2.82Å
359I98.3Very high96.7Very high4 Ų444.6 Ų44.62%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-141.9132.1-176.4-50176.7000108.5Y315 N346 F347 A349 L351 F357 F376 A379Y315-I359 HydrophobicContact CE1-CD1 4.29Å; N346-I359 CarbonylContact C-O 3.58Å; N346-I359 WeakPolarHBondContact CA-O 3.34Å; F347-I359 HydrophobicContact CD1-CB 4.4Å; F347-I359 WeakPolarHBondContact CD1-O 3.11Å; F347-I359 HydrophobicContact CE1-CB 3.81Å; F347-I359 HydrophobicContact CE1-CG2 3.84Å; F347-I359 WeakPolarHBondContact CE1-O 3.36Å; F347-I359 HydrophobicContact CE2-CB 4.09Å; F347-I359 HydrophobicContact CE2-CD1 4.09Å; F347-I359 HydrophobicContact CZ-CB 3.63Å; F347-I359 HydrophobicContact CZ-CD1 4.08Å; F347-I359 HydrophobicContact CZ-CG1 4.39Å; F347-I359 HydrophobicContact CZ-CG2 3.73Å; F347-I359 PolarHBondContact N-O 3.16Å; F347-I359 PolarHBondContact O-N 3.11Å; A349-I359 HydrophobicContact CB-CD1 4.47Å; L351-I359 HydrophobicContact CD1-CD1 4.23Å; L351-I359 HydrophobicContact CD2-CD1 4.28Å; F357-I359 HydrophobicContact CB-CG1 4.34Å; I359-F376 HydrophobicContact CG2-CB 4.01Å; I359-F376 HydrophobicContact CG2-CD1 4.01Å; I359-F376 HydrophobicContact CG2-CG 4.42Å; I359-A379 HydrophobicContact CD1-CB 4.3Å; I359-A379 HydrophobicContact CG1-CB 4.01Å
360G97.8Very high96.5Very high0 Ų047.7 Ų47.70%026%0.263CS..EExtended strand (participates in β ladder)trans-88.9129.816700000111.2N346 F376 T377N346-G360 WeakPolarHBondContact OD1-CA 3.43Å; G360-F376 CarbonylContact O-C 3.58Å; G360-F376 VanDerWaalsContact O-CA 3.27Å; G360-F376 WeakPolarHBondContact O-CA 3.47Å; G360-T377 PolarHBondContact N-OG1 3.45Å; G360-T377 PolarHBondContact O-N 2.85Å
361C98.4Very high96.5Very high0 Ų043.7 Ų43.70%024%0.244CC..EExtended strand (participates in β ladder)trans-93.7119.8164.5175.70000108.4L344 E345 F347 E374 F376L344-C361 CarbonylContact C-O 3.49Å; L344-C361 WeakPolarHBondContact CA-O 3.28Å; E345-C361 PolarHBondContact N-O 3.49Å; E345-C361 PolarHBondContact O-N 2.77Å; F347-C361 HydrophobicContact CD1-CB 4.33Å; F347-C361 HydrophobicContact CE1-CB 3.99Å; C361-E374 PolarHBondContact SG-OE1 3.06Å; C361-F376 HydrophobicContact CB-CD1 4.11Å; C361-F376 HydrophobicContact CB-CE1 3.84Å
362L98.7Very high96.6Very high0 Ų045.3 Ų45.30%026%0.259CS..EExtended strand (participates in β ladder)trans-105.4123.8171.2-66.975.7000108.7A343 L344 E374 V375 T377 A441 A442 L445A343-L362 CarbonylContact O-C 3.59Å; A343-L362 VanDerWaalsContact O-CA 3.29Å; A343-L362 WeakPolarHBondContact O-CA 3.36Å; L344-L362 HydrophobicContact CD1-CD1 3.56Å; L344-L362 HydrophobicContact CD1-CG 3.81Å; L362-E374 CarbonylContact O-C 3.54Å; L362-E374 WeakPolarHBondContact O-CA 3.4Å; L362-V375 PolarHBondContact N-O 2.87Å; L362-V375 PolarHBondContact O-N 3.21Å; L362-T377 HydrophobicContact CD1-CG2 3.76Å; L362-A441 HydrophobicContact CD1-CB 3.7Å; L362-A441 HydrophobicContact CD2-CB 4Å; L362-A442 HydrophobicContact CD2-CB 3.91Å; L362-L445 HydrophobicContact CB-CD2 3.99Å; L362-L445 HydrophobicContact CD2-CD2 4.28Å
363I98.6Very high96.7Very high10 Ų1040.5 Ų40.55%0.05124%0.238CC..EExtended strand (participates in β ladder)trans-113.2128173-61.5-178.2000108.3A319 A322 Q323 I326 V342 A343 L373 E374A319-I363 WeakPolarHBondContact O-CD1 3.32Å; A322-I363 HydrophobicContact CB-CB 4.31Å; A322-I363 HydrophobicContact CB-CD1 3.76Å; A322-I363 HydrophobicContact CB-CG1 3.91Å; Q323-I363 HydrophobicContact CB-CD1 4.39Å; I326-I363 HydrophobicContact CD1-CB 4.42Å; I326-I363 HydrophobicContact CD1-CG2 3.99Å; V342-I363 CarbonylContact C-O 3.59Å; V342-I363 VanDerWaalsContact CA-O 3.3Å; V342-I363 WeakPolarHBondContact CA-O 3.43Å; A343-I363 PolarHBondContact N-O 3.43Å; A343-I363 PolarHBondContact O-N 3.39Å; I363-L373 CarbonylContact C-O 3.57Å; I363-L373 WeakPolarHBondContact CA-O 3.49Å; I363-E374 HydrophobicContact CG1-CG 4.27Å
364L98.6Very high96.8Very high0 Ų039 Ų390%022%0.221CC..EExtended strand (participates in β ladder)trans-105.1128.7163-178.9151.2000108.8F290 V341 V342 D366 I371 C372 L373 L445 Y449F290-L364 HydrophobicContact CE1-CD1 4.05Å; F290-L364 HydrophobicContact CZ-CD1 3.78Å; V341-L364 CarbonylContact O-C 3.43Å; V341-L364 VanDerWaalsContact O-CA 3.27Å; V341-L364 WeakPolarHBondContact O-CA 3.4Å; V342-L364 HydrophobicContact CG2-CB 4.12Å; V342-L364 HydrophobicContact CG2-CD1 3.83Å; V342-L364 HydrophobicContact CG2-CG 4.09Å; L364-D366 HydrophobicContact CD2-CB 4.32Å; L364-I371 HydrophobicContact CD2-CG2 4.02Å; L364-C372 CarbonylContact O-C 3.58Å; L364-C372 WeakPolarHBondContact O-CA 3.49Å; L364-L373 HydrophobicContact CB-CB 4.38Å; L364-L373 PolarHBondContact N-O 2.95Å; L364-L373 PolarHBondContact O-N 3.23Å; L364-L445 HydrophobicContact CB-CD1 3.89Å; L364-L445 HydrophobicContact CB-CD2 3.96Å; L364-L445 HydrophobicContact CB-CG 3.99Å; L364-Y449 HydrophobicContact CD1-CD1 3.56Å; L364-Y449 HydrophobicContact CD1-CD2 4.23Å; L364-Y449 HydrophobicContact CD1-CE1 3.9Å; L364-Y449 HydrophobicContact CD1-CG 3.71Å; L364-Y449 HydrophobicContact CD2-CD1 4.4Å; L364-Y449 HydrophobicContact CD2-CD2 3.67Å; L364-Y449 HydrophobicContact CD2-CE1 4.43Å; L364-Y449 HydrophobicContact CD2-CE2 3.77Å; L364-Y449 HydrophobicContact CD2-CG 4Å
365E98.1Very high97Very high36 Ų3632.9 Ų32.917%0.16819%0.194CC..EExtended strand (participates in β ladder)trans-129.7124174.5-159.4-163.3146.900111.1Q323 I326 R330 V341 C372Q323-E365 PolarHBondContact NE2-OE2 3.08Å; I326-E365 HydrophobicContact CD1-CB 3.94Å; R330-E365 IonicContact CZ-OE1 3.49Å; R330-E365 IonicContact CZ-OE2 3.59Å; R330-E365 IonicContact NH1-OE1 2.71Å; R330-E365 PolarHBondContact NH1-OE1 3.42Å; R330-E365 IonicContact NH1-OE2 3.06Å; R330-E365 PolarHBondContact NH1-OE2 2.86Å; R330-E365 VanDerWaalsContact NH2-CD 3.28Å; R330-E365 IonicContact NH2-OE1 3.38Å; R330-E365 PolarHBondContact NH2-OE1 2.93Å; R330-E365 IonicContact NH2-OE2 3.34Å; R330-E365 PolarHBondContact NH2-OE2 2.93Å; V341-E365 PolarHBondContact N-O 3.15Å; V341-E365 PolarHBondContact O-N 2.91Å; E365-C372 HydrophobicContact CG-CB 4.49Å
366D96.8Very high97.1Very high1 Ų130.4 Ų30.41%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-128.595.2177.7171.7-2.9000109P340 L364 G368 H369 G370 I371 Y449P340-D366 HydrophobicContact CB-CB 4.13Å; P340-D366 HydrophobicContact CG-CB 4.23Å; L364-D366 HydrophobicContact CD2-CB 4.32Å; D366-G368 PolarHBondContact O-N 2.88Å; D366-G368 WeakPolarHBondContact OD1-CA 3.37Å; D366-G368 PolarHBondContact OD1-N 3.31Å; D366-H369 PolarHBondContact O-N 2.9Å; D366-H369 PolarHBondContact OD1-N 2.82Å; D366-H369 VanDerWaalsContact OD1-N 3.07Å; D366-H369 IonicContact OD1-ND1 3.44Å; D366-H369 PolarHBondContact OD1-ND1 3.14Å; D366-H369 IonicContact OD2-CE1 3.78Å; D366-H369 IonicContact OD2-CG 3.45Å; D366-H369 IonicContact OD2-ND1 2.74Å; D366-H369 PolarHBondContact OD2-ND1 3.36Å; D366-G370 PolarHBondContact O-N 2.87Å; D366-I371 HydrophobicContact CB-CB 4.26Å; D366-I371 PolarHBondContact N-O 3.23Å; D366-I371 PolarHBondContact O-N 2.84Å; D366-Y449 HydrophobicContact CB-CE2 4.13Å; D366-Y449 PolarHBondContact OD2-OH 3.38Å
367P94.9Very high97.1Very high51 Ų5129.8 Ų29.833%0.33118%0.182SC..THydrogen-bonded Turntrans-71-12.6177.4-20.134.8000113.7R330 E337R330-P367 VanDerWaalsContact CZ-CG 3.43Å; R330-P367 VanDerWaalsContact NH2-CD 3.33Å; R330-P367 VanDerWaalsContact NH2-CG 3.25Å; E337-P367 WeakPolarHBondContact O-CG 3.39Å
368G91.3Very high97Very high38 Ų3834.8 Ų34.839%0.39221%0.206SC..THydrogen-bonded Turntrans-67.7-43.3175.200000111.7D366D366-G368 PolarHBondContact O-N 2.88Å; D366-G368 WeakPolarHBondContact OD1-CA 3.37Å; D366-G368 PolarHBondContact OD1-N 3.31Å
369H92.6Very high96.9Very high82 Ų8236.1 Ų36.138%0.3822%0.218SC..THydrogen-bonded Turntrans-103.1-1.2178-56.999.4000113.8D366 I371D366-H369 PolarHBondContact O-N 2.9Å; D366-H369 PolarHBondContact OD1-N 2.82Å; D366-H369 VanDerWaalsContact OD1-N 3.07Å; D366-H369 IonicContact OD1-ND1 3.44Å; D366-H369 PolarHBondContact OD1-ND1 3.14Å; D366-H369 IonicContact OD2-CE1 3.78Å; D366-H369 IonicContact OD2-CG 3.45Å; D366-H369 IonicContact OD2-ND1 2.74Å; D366-H369 PolarHBondContact OD2-ND1 3.36Å; H369-I371 VanDerWaalsContact C-N 3.32Å; H369-I371 HydrophobicContact CB-CD1 3.72Å; H369-I371 HydrophobicContact CB-CG1 4.04Å
370G94.6Very high96.9Very high70 Ų7036.1 Ų36.172%0.72222%0.218SC*.THydrogen-bonded Turntrans7028.2-177.800000113.4D366D366-G370 PolarHBondContact O-N 2.87Å
371I96.3Very high96.8Very high10 Ų1039.6 Ų39.65%0.05124%0.241CC..EExtended strand (participates in β ladder)trans-96.5129.3-175.9-69.6167.6000109.9L364 D366 H369 L373 Y449 Q452 L453L364-I371 HydrophobicContact CD2-CG2 4.02Å; D366-I371 HydrophobicContact CB-CB 4.26Å; D366-I371 PolarHBondContact N-O 3.23Å; D366-I371 PolarHBondContact O-N 2.84Å; H369-I371 VanDerWaalsContact C-N 3.32Å; H369-I371 HydrophobicContact CB-CD1 3.72Å; H369-I371 HydrophobicContact CB-CG1 4.04Å; I371-L373 HydrophobicContact CG2-CD1 4.03Å; I371-L373 HydrophobicContact CG2-CG 3.93Å; I371-Y449 HydrophobicContact CB-CE2 4.46Å; I371-Y449 HydrophobicContact CD1-CD2 4.04Å; I371-Y449 HydrophobicContact CD1-CE2 3.83Å; I371-Y449 HydrophobicContact CG2-CD2 3.91Å; I371-Y449 HydrophobicContact CG2-CE2 4.15Å; I371-Q452 HydrophobicContact CD1-CB 3.68Å; I371-Q452 HydrophobicContact CG1-CB 4.18Å; I371-L453 HydrophobicContact CD1-CD2 4.09Å
372C97.3Very high96.7Very high81 Ų8140.4 Ų40.455%0.54725%0.245SC..EExtended strand (participates in β ladder)trans-132.8126.3165.8-174.10000108.7L364 E365L364-C372 CarbonylContact O-C 3.58Å; L364-C372 WeakPolarHBondContact O-CA 3.49Å; E365-C372 HydrophobicContact CG-CB 4.49Å
373L98.2Very high96.4Very high18 Ų1843.9 Ų43.99%0.09427%0.266CS..EExtended strand (participates in β ladder)trans-131.2135.8-176.9-69.8171.9000110.1I363 L364 I371 L445 L448 Y449I363-L373 CarbonylContact C-O 3.57Å; I363-L373 WeakPolarHBondContact CA-O 3.49Å; L364-L373 HydrophobicContact CB-CB 4.38Å; L364-L373 PolarHBondContact N-O 2.95Å; L364-L373 PolarHBondContact O-N 3.23Å; I371-L373 HydrophobicContact CG2-CD1 4.03Å; I371-L373 HydrophobicContact CG2-CG 3.93Å; L373-L445 HydrophobicContact CB-CD1 3.72Å; L373-L448 HydrophobicContact CD1-CB 4.01Å; L373-L448 HydrophobicContact CD2-CB 4.41Å; L373-Y449 HydrophobicContact CD1-CD2 4.44Å
374E98.1Very high96.3Very high81 Ų8145.5 Ų45.538%0.37928%0.275SS..EExtended strand (participates in β ladder)trans-123130.3177.1-174.1178.4-164.200109.7C361 L362 I363 F376C361-E374 PolarHBondContact SG-OE1 3.06Å; L362-E374 CarbonylContact O-C 3.54Å; L362-E374 WeakPolarHBondContact O-CA 3.4Å; I363-E374 HydrophobicContact CG1-CG 4.27Å; E374-F376 HydrophobicContact CG-CE2 4.21Å; E374-F376 HydrophobicContact CG-CZ 4.09Å; E374-F376 WeakPolarHBondContact OE1-CZ 3.44Å
375V98.4Very high96.2Very high15 Ų1551 Ų519%0.09130%0.304CS..EExtended strand (participates in β ladder)trans-137.2134.7179.1175.10000109.5L362 A441 V444 L445 L448L362-V375 PolarHBondContact N-O 2.87Å; L362-V375 PolarHBondContact O-N 3.21Å; V375-A441 HydrophobicContact CG1-CB 4.21Å; V375-V444 HydrophobicContact CG1-CB 4.27Å; V375-V444 HydrophobicContact CG1-CG1 4.2Å; V375-V444 HydrophobicContact CG2-CG1 4.3Å; V375-L445 HydrophobicContact CB-CB 4.41Å; V375-L445 HydrophobicContact CB-CD1 4.2Å; V375-L445 HydrophobicContact CG2-CB 4.07Å; V375-L445 HydrophobicContact CG2-CD1 3.69Å; V375-L448 HydrophobicContact CG2-CD1 3.89Å
376F98.3Very high96.1Very high73 Ų7350.6 Ų50.632%0.3230%0.303SS..EExtended strand (participates in β ladder)trans-98147.5175.6-61.7-78.8000112Y315 F347 I359 G360 C361 E374Y315-F376 HydrophobicContact CD1-CD1 4.36Å; Y315-F376 AromaticContact CD1-CE1 3.75Å; Y315-F376 HydrophobicContact CD1-CE1 3.75Å; Y315-F376 AromaticContact CD1-CZ 3.89Å; Y315-F376 HydrophobicContact CD1-CZ 3.89Å; Y315-F376 HydrophobicContact CE1-CD1 4.3Å; Y315-F376 HydrophobicContact CE1-CE1 4.12Å; Y315-F376 HydrophobicContact CE1-CZ 4.32Å; F347-F376 AromaticContact CE1-CD1 3.99Å; F347-F376 HydrophobicContact CE1-CD1 3.99Å; F347-F376 AromaticContact CE1-CE1 3.97Å; F347-F376 HydrophobicContact CE1-CE1 3.97Å; F347-F376 HydrophobicContact CZ-CD1 4.09Å; F347-F376 HydrophobicContact CZ-CE1 4.03Å; I359-F376 HydrophobicContact CG2-CB 4.01Å; I359-F376 HydrophobicContact CG2-CD1 4.01Å; I359-F376 HydrophobicContact CG2-CG 4.42Å; G360-F376 CarbonylContact O-C 3.58Å; G360-F376 VanDerWaalsContact O-CA 3.27Å; G360-F376 WeakPolarHBondContact O-CA 3.47Å; C361-F376 HydrophobicContact CB-CD1 4.11Å; C361-F376 HydrophobicContact CB-CE1 3.84Å; E374-F376 HydrophobicContact CG-CE2 4.21Å; E374-F376 HydrophobicContact CG-CZ 4.09Å; E374-F376 WeakPolarHBondContact OE1-CZ 3.44Å
377T98.2Very high96.1Very high15 Ų1550.6 Ų50.69%0.09230%0.303CS..PPolyproline II helixtrans-69.8167.7169.369.70000111.7G360 L362 A379 I437 A441G360-T377 PolarHBondContact N-OG1 3.45Å; G360-T377 PolarHBondContact O-N 2.85Å; L362-T377 HydrophobicContact CD1-CG2 3.76Å; T377-A379 PolarHBondContact O-N 2.89Å; T377-I437 HydrophobicContact CG2-CG2 4.01Å; T377-A441 HydrophobicContact CG2-CB 3.89Å
378Q95.7Very high96.2Very high138 Ų13853.4 Ų53.465%0.64531%0.311SS*.PPolyproline II helixtrans-57.2133.8162.4-173.8174.318.800109.9
379A96.5Very high96.4Very high35 Ų3555.3 Ų55.329%0.28931%0.31SS..PPolyproline II helixtrans-72.4124.7178.500000110.9L351 F357 I359 T377L351-A379 HydrophobicContact CD1-CB 4.31Å; F357-A379 HydrophobicContact CB-CB 4.05Å; F357-A379 HydrophobicContact CD1-CB 3.85Å; F357-A379 HydrophobicContact CG-CB 4.19Å; I359-A379 HydrophobicContact CD1-CB 4.3Å; I359-A379 HydrophobicContact CG1-CB 4.01Å; T377-A379 PolarHBondContact O-N 2.89Å
380T96.9Very high96.6Very high5 Ų551.4 Ų51.43%0.03129%0.292CS..EExtended strand (participates in β ladder)trans-98.1120.7178.2-65.60000109.8F357 D358 W425 H426 T430F357-T380 CarbonylContact C-O 3.09Å; F357-T380 WeakPolarHBondContact CA-O 3.39Å; D358-T380 PolarHBondContact N-O 3.4Å; D358-T380 PolarHBondContact O-N 3.31Å; T380-W425 HydrophobicContact CG2-CH2 3.56Å; T380-W425 HydrophobicContact CG2-CZ3 3.55Å; T380-H426 PolarHBondContact OG1-CD2 2.63Å; T380-T430 HydrophobicContact CG2-CG2 3.65Å
381P95.9Very high96.7Very high72 Ų7251.5 Ų51.547%0.46827%0.273SS..EExtended strand (participates in β ladder)trans-66.9140.3-175.427.8-35.1000112.3F357F357-P381 HydrophobicContact CD1-CB 4.19Å; F357-P381 HydrophobicContact CE1-CB 4.04Å
382L96Very high96.8Very high17 Ų1755.6 Ų55.69%0.08930%0.303CS..EExtended strand (participates in β ladder)trans-121.4144.5177-67.9178.5000110.5I348 W356 D358 I387 V409 W425I348-L382 HydrophobicContact CB-CD1 4.39Å; I348-L382 HydrophobicContact CG2-CD1 3.45Å; I348-L382 VanDerWaalsContact CG2-CD1 3.45Å; W356-L382 HydrophobicContact CB-CB 4.13Å; W356-L382 PolarHBondContact O-N 3.48Å; D358-L382 HydrophobicContact CB-CD1 4.07Å; D358-L382 HydrophobicContact CB-CG 4.41Å; L382-I387 HydrophobicContact CB-CD1 4.26Å; L382-I387 HydrophobicContact CD1-CD1 3.85Å; L382-V409 HydrophobicContact CD1-CB 4.43Å; L382-V409 HydrophobicContact CD1-CG1 4.05Å; L382-V409 HydrophobicContact CD1-CG2 4.18Å; L382-V409 HydrophobicContact CD2-CG1 3.71Å; L382-V409 HydrophobicContact CG-CG1 4.48Å; L382-W425 HydrophobicContact CD2-CH2 3.36Å; L382-W425 HydrophobicContact CD2-CZ2 4.05Å; L382-W425 HydrophobicContact CD2-CZ3 3.74Å; L382-W425 HydrophobicContact CG-CH2 4.31Å
383T94.3Very high96.8Very high73 Ų7355.8 Ų55.845%0.44830%0.298SS..  trans-79.8142.3173.659.30000110.7D385 H386T383-D385 PolarHBondContact O-N 3.23Å; T383-H386 PolarHBondContact O-N 2.97Å; T383-H386 PolarHBondContact OG1-CE1 3.07Å; T383-H386 PolarHBondContact OG1-ND1 2.76Å
384L95.9Very high96.7Very high45 Ų4555.2 Ų55.224%0.23630%0.295CS..Hα-helixtrans-56.8-36.6-180-176.663.8000112.4E354 H386 I387 Q388E354-L384 HydrophobicContact CB-CD2 4.18Å; E354-L384 HydrophobicContact CG-CD2 4.21Å; L384-H386 VanDerWaalsContact C-N 3.33Å; L384-H386 PolarHBondContact O-N 3.38Å; L384-I387 WeakPolarHBondContact O-CB 3.48Å; L384-I387 PolarHBondContact O-N 2.88Å; L384-Q388 HydrophobicContact CD1-CG 4.28Å; L384-Q388 HydrophobicContact CG-CG 4.13Å; L384-Q388 WeakPolarHBondContact O-CG 3.49Å; L384-Q388 PolarHBondContact O-N 2.88Å
385D95.9Very high96.7Very high115 Ų11554 Ų5462%0.61529%0.294SS*.Hα-helixtrans-56.2-44-179.6-54.8-38.4000112.5T383 I387 Q388 Q389T383-D385 PolarHBondContact O-N 3.23Å; D385-I387 VanDerWaalsContact C-N 3.31Å; D385-I387 PolarHBondContact O-N 3.39Å; D385-Q388 PolarHBondContact O-N 3.45Å; D385-Q389 WeakPolarHBondContact O-CB 3.42Å; D385-Q389 PolarHBondContact O-N 3.41Å
386H95.3Very high96.5Very high28 Ų2858.7 Ų58.713%0.1333%0.325CS..Hα-helixtrans-68.1-32.9178.7-63137.8000111.9T383 L384 A390 V409 I412 L413 S416T383-H386 PolarHBondContact O-N 2.97Å; T383-H386 PolarHBondContact OG1-CE1 3.07Å; T383-H386 PolarHBondContact OG1-ND1 2.76Å; L384-H386 VanDerWaalsContact C-N 3.33Å; L384-H386 PolarHBondContact O-N 3.38Å; H386-A390 PolarHBondContact O-N 3.47Å; H386-V409 HydrophobicContact CB-CG1 4.27Å; H386-I412 HydrophobicContact CB-CG2 3.97Å; H386-I412 WeakPolarHBondContact O-CD1 3.35Å; H386-L413 WeakPolarHBondContact CE1-CD2 3.27Å; H386-S416 PolarHBondContact NE2-OG 3.29Å; H386-S416 VanDerWaalsContact NE2-OG 3.14Å
387I96.9Very high96.4Very high1 Ų161.7 Ų61.71%0.00535%0.345CS..Hα-helixtrans-71.2-45.3176.2-51.9-54.6000110.7I348 W356 L382 L384 D385 Q389 A390 H391 V409I348-I387 HydrophobicContact CD1-CD1 3.86Å; I348-I387 HydrophobicContact CD1-CG2 4.46Å; W356-I387 HydrophobicContact CB-CD1 4.18Å; W356-I387 HydrophobicContact CB-CG1 3.74Å; W356-I387 HydrophobicContact CD2-CB 4.48Å; W356-I387 HydrophobicContact CD2-CG1 4.03Å; W356-I387 HydrophobicContact CD2-CG2 3.86Å; W356-I387 HydrophobicContact CE3-CG1 4.47Å; W356-I387 HydrophobicContact CE3-CG2 4.13Å; W356-I387 HydrophobicContact CG-CB 4.42Å; W356-I387 HydrophobicContact CG-CD1 4.41Å; W356-I387 HydrophobicContact CG-CG1 3.69Å; W356-I387 HydrophobicContact CG-CG2 4.3Å; W356-I387 HydrophobicContact CH2-CG2 4.44Å; W356-I387 HydrophobicContact CZ2-CG2 4.19Å; W356-I387 HydrophobicContact CZ3-CG2 4.41Å; L382-I387 HydrophobicContact CB-CD1 4.26Å; L382-I387 HydrophobicContact CD1-CD1 3.85Å; L384-I387 WeakPolarHBondContact O-CB 3.48Å; L384-I387 PolarHBondContact O-N 2.88Å; D385-I387 VanDerWaalsContact C-N 3.31Å; D385-I387 PolarHBondContact O-N 3.39Å; I387-Q389 VanDerWaalsContact C-N 3.29Å; I387-Q389 PolarHBondContact O-N 3.33Å; I387-A390 WeakPolarHBondContact O-CB 3.35Å; I387-A390 PolarHBondContact O-N 2.99Å; I387-A390 VanDerWaalsContact O-N 3.11Å; I387-H391 PolarHBondContact O-CD2 3.46Å; I387-H391 PolarHBondContact O-N 3.41Å; I387-V409 HydrophobicContact CD1-CG2 3.75Å
388Q96.8Very high96.4Very high109 Ų10962.9 Ų62.951%0.50935%0.348SS..Hα-helixtrans-61.3-38.5174.8-70.2-177.9-3.100111.7L384 D385 H391 S392L384-Q388 HydrophobicContact CD1-CG 4.28Å; L384-Q388 HydrophobicContact CG-CG 4.13Å; L384-Q388 WeakPolarHBondContact O-CG 3.49Å; L384-Q388 PolarHBondContact O-N 2.88Å; D385-Q388 PolarHBondContact O-N 3.45Å; Q388-H391 PolarHBondContact O-N 3.41Å; Q388-S392 PolarHBondContact O-N 2.91Å; Q388-S392 PolarHBondContact O-OG 2.69Å
389Q96.9Very high96.4Very high78 Ų7861 Ų6136%0.36435%0.349SS..Hα-helixtrans-62.1-43.7172.2-169.3169.99.700111.5D385 I387 H391 S392 L393 I412D385-Q389 WeakPolarHBondContact O-CB 3.42Å; D385-Q389 PolarHBondContact O-N 3.41Å; I387-Q389 VanDerWaalsContact C-N 3.29Å; I387-Q389 PolarHBondContact O-N 3.33Å; Q389-H391 PolarHBondContact O-N 3.34Å; Q389-S392 PolarHBondContact O-N 2.82Å; Q389-S392 PolarHBondContact O-OG 2.87Å; Q389-L393 HydrophobicContact CG-CD1 4.11Å; Q389-L393 VanDerWaalsContact O-CG 3.32Å; Q389-L393 WeakPolarHBondContact O-CG 3.48Å; Q389-L393 PolarHBondContact O-N 3.07Å; Q389-I412 HydrophobicContact CB-CD1 4.31Å; Q389-I412 HydrophobicContact CB-CG2 4.33Å; Q389-I412 HydrophobicContact CG-CD1 4.41Å; Q389-I412 HydrophobicContact CG-CG2 4.29Å; Q389-I412 VanDerWaalsContact OE1-CG2 3.26Å
390A96.9Very high96.5Very high0 Ų061.5 Ų61.50%035%0.347CS..Hα-helixtrans-61.1-42.4175.100000112.7H386 I387 L393 T394 L405 I412H386-A390 PolarHBondContact O-N 3.47Å; I387-A390 WeakPolarHBondContact O-CB 3.35Å; I387-A390 PolarHBondContact O-N 2.99Å; I387-A390 VanDerWaalsContact O-N 3.11Å; A390-L393 PolarHBondContact O-N 2.94Å; A390-T394 PolarHBondContact O-N 2.91Å; A390-T394 PolarHBondContact O-OG1 3.16Å; A390-L405 HydrophobicContact CB-CD1 3.47Å; A390-L405 VanDerWaalsContact CB-CD1 3.47Å; A390-I412 VanDerWaalsContact CA-CD1 3.46Å; A390-I412 HydrophobicContact CB-CD1 3.43Å; A390-I412 VanDerWaalsContact CB-CD1 3.43Å
391H96.5Very high96.4Very high72 Ų7266.3 Ų66.333%0.33337%0.365SS..Hα-helixtrans-64.3-44.6176.2-77.5-68.2000112.5I387 Q388 Q389 L393 T394 L405I387-H391 PolarHBondContact O-CD2 3.46Å; I387-H391 PolarHBondContact O-N 3.41Å; Q388-H391 PolarHBondContact O-N 3.41Å; Q389-H391 PolarHBondContact O-N 3.34Å; H391-L393 VanDerWaalsContact C-N 3.3Å; H391-L393 PolarHBondContact O-N 2.8Å; H391-T394 PolarHBondContact O-N 3.28Å; H391-T394 VanDerWaalsContact O-N 3.15Å; H391-L405 WeakPolarHBondContact ND1-CD2 3.34Å
392S97.3Very high96.4Very high96 Ų9669.9 Ų69.967%0.67137%0.369SS*.Hα-helixtrans-66.7-30.1179.865.20000113.3Q388 Q389 T394Q388-S392 PolarHBondContact O-N 2.91Å; Q388-S392 PolarHBondContact O-OG 2.69Å; Q389-S392 PolarHBondContact O-N 2.82Å; Q389-S392 PolarHBondContact O-OG 2.87Å; S392-T394 VanDerWaalsContact C-N 3.35Å
393L97Very high96.4Very high85 Ų8569.2 Ų69.245%0.44537%0.366SS..THydrogen-bonded Turntrans-82.5-8174.3-65.9173.5000113.8Q389 A390 H391 P395 V407Q389-L393 HydrophobicContact CG-CD1 4.11Å; Q389-L393 VanDerWaalsContact O-CG 3.32Å; Q389-L393 WeakPolarHBondContact O-CG 3.48Å; Q389-L393 PolarHBondContact O-N 3.07Å; A390-L393 PolarHBondContact O-N 2.94Å; H391-L393 VanDerWaalsContact C-N 3.3Å; H391-L393 PolarHBondContact O-N 2.8Å; L393-P395 WeakPolarHBondContact O-CD 3.23Å; L393-V407 HydrophobicContact CB-CB 4.44Å; L393-V407 HydrophobicContact CB-CG2 3.73Å; L393-V407 HydrophobicContact CD1-CG1 4.24Å; L393-V407 HydrophobicContact CD1-CG2 4.29Å
394T97.5Very high96.6Very high6 Ų666 Ų664%0.03735%0.347CS..SBendtrans-93.2114179-60.20000110.5A390 H391 S392 Y398 R401 L405 V406A390-T394 PolarHBondContact O-N 2.91Å; A390-T394 PolarHBondContact O-OG1 3.16Å; H391-T394 PolarHBondContact O-N 3.28Å; H391-T394 VanDerWaalsContact O-N 3.15Å; S392-T394 VanDerWaalsContact C-N 3.35Å; T394-Y398 HydrophobicContact CG2-CD1 3.76Å; T394-Y398 HydrophobicContact CG2-CG 4.22Å; T394-R401 PolarHBondContact O-NH1 3.35Å; T394-L405 HydrophobicContact CG2-CD2 4.3Å; T394-L405 WeakPolarHBondContact OG1-CB 3.42Å; T394-V406 HydrophobicContact CG2-CB 4.36Å; T394-V406 HydrophobicContact CG2-CG1 4.19Å; T394-V406 PolarHBondContact OG1-N 3.34Å
395P97.2Very high96.7Very high56 Ų5664.1 Ų64.136%0.36434%0.337SS..  trans-60.1146.1-179.3-24.235.1000113L393 D397 Y398 R401L393-P395 WeakPolarHBondContact O-CD 3.23Å; P395-D397 WeakPolarHBondContact CB-OD1 3.27Å; P395-D397 PolarHBondContact O-N 3.45Å; P395-Y398 WeakPolarHBondContact O-CB 3.35Å; P395-Y398 PolarHBondContact O-N 2.93Å; P395-R401 VanDerWaalsContact C-NH1 3.26Å; P395-R401 PolarHBondContact O-NH1 2.92Å
396P95.1Very high96.8Very high114 Ų11461 Ų6174%0.7432%0.322SS*.THydrogen-bonded Turntrans-65-27.1-179.227.9-34.8000112.9Y398P396-Y398 VanDerWaalsContact C-N 3.35Å
397D96.3Very high96.8Very high136 Ų13660.6 Ų60.673%0.72732%0.321SS*.THydrogen-bonded Turntrans-886.117860.6-40.7000114P395 S399P395-D397 WeakPolarHBondContact CB-OD1 3.27Å; P395-D397 PolarHBondContact O-N 3.45Å; D397-S399 PolarHBondContact O-N 3.36Å
398Y97.1Very high96.8Very high39 Ų3961.3 Ų61.315%0.15333%0.326CS..  trans-61.5120.7178.7176.4-126.5000112.3A309 P310 T394 P395 P396 L400 R401 V406A309-Y398 WeakPolarHBondContact CA-OH 3.4Å; A309-Y398 HydrophobicContact CB-CE1 3.89Å; P310-Y398 WeakPolarHBondContact CD-OH 3.41Å; T394-Y398 HydrophobicContact CG2-CD1 3.76Å; T394-Y398 HydrophobicContact CG2-CG 4.22Å; P395-Y398 WeakPolarHBondContact O-CB 3.35Å; P395-Y398 PolarHBondContact O-N 2.93Å; P396-Y398 VanDerWaalsContact C-N 3.35Å; Y398-L400 VanDerWaalsContact C-N 3.31Å; Y398-L400 HydrophobicContact CE1-CB 3.87Å; Y398-L400 HydrophobicContact CE2-CB 4.37Å; Y398-L400 PolarHBondContact O-N 3.02Å; Y398-R401 HydrophobicContact CD1-CB 3.96Å; Y398-R401 WeakPolarHBondContact O-CB 3.39Å; Y398-R401 PolarHBondContact O-N 3.11Å; Y398-R401 VanDerWaalsContact O-N 3.09Å; Y398-V406 HydrophobicContact CD1-CB 4.25Å; Y398-V406 HydrophobicContact CD2-CB 4.16Å; Y398-V406 HydrophobicContact CD2-CG2 4.09Å; Y398-V406 HydrophobicContact CE1-CB 4.02Å; Y398-V406 HydrophobicContact CE2-CB 3.94Å; Y398-V406 HydrophobicContact CE2-CG2 3.67Å; Y398-V406 HydrophobicContact CG-CB 4.32Å
399S97.1Very high96.8Very high98 Ų9856.1 Ų56.169%0.68530%0.302SS*.THydrogen-bonded Turntrans-62.1-30.2-170.955.90000115.1D397D397-S399 PolarHBondContact O-N 3.36Å
400L97Very high96.7Very high46 Ų4652.5 Ų52.524%0.24129%0.285CS..THydrogen-bonded Turntrans-99.514.3179.3-52179.6000113.2A309 Y398 W402 S403 G404A309-L400 HydrophobicContact CB-CB 4.05Å; Y398-L400 VanDerWaalsContact C-N 3.31Å; Y398-L400 HydrophobicContact CE1-CB 3.87Å; Y398-L400 HydrophobicContact CE2-CB 4.37Å; Y398-L400 PolarHBondContact O-N 3.02Å; L400-W402 PolarHBondContact O-N 3.47Å; L400-S403 PolarHBondContact O-N 3.19Å; L400-S403 PolarHBondContact O-OG 3.38Å; L400-G404 PolarHBondContact O-N 3.02Å
401R95.7Very high96.7Very high106 Ų10653.9 Ų53.940%0.429%0.292SS..THydrogen-bonded Turntrans-58.8-20.7179.4-167.4175-174.3105.55.4113.9T394 P395 Y398 S403 G404T394-R401 PolarHBondContact O-NH1 3.35Å; P395-R401 VanDerWaalsContact C-NH1 3.26Å; P395-R401 PolarHBondContact O-NH1 2.92Å; Y398-R401 HydrophobicContact CD1-CB 3.96Å; Y398-R401 WeakPolarHBondContact O-CB 3.39Å; Y398-R401 PolarHBondContact O-N 3.11Å; Y398-R401 VanDerWaalsContact O-N 3.09Å; R401-S403 PolarHBondContact O-N 3.31Å; R401-G404 WeakPolarHBondContact CA-O 3.25Å
402W94.8Very high96.7Very high147 Ų14750.5 Ų50.556%0.55728%0.276SS*.THydrogen-bonded Turntrans-64.6-19.8170.867.8-93000113.7I308 K320 L400I308-W402 HydrophobicContact CD1-CH2 3.37Å; I308-W402 HydrophobicContact CD1-CZ2 4.05Å; I308-W402 HydrophobicContact CD1-CZ3 4.1Å; K320-W402 HydrophobicContact CD-CH2 4.01Å; K320-W402 HydrophobicContact CD-CZ3 4.11Å; K320-W402 VanDerWaalsContact NZ-CH2 3.25Å; L400-W402 PolarHBondContact O-N 3.47Å
403S97.3Very high96.6Very high4 Ų446.1 Ų46.13%0.02825%0.245CC..THydrogen-bonded Turntrans-117.5-15.2-175.571.20000114.1A309 P312 V313 A317 L400 R401A309-S403 WeakPolarHBondContact CB-OG 3.35Å; A309-S403 PolarHBondContact N-OG 3.39Å; P312-S403 WeakPolarHBondContact CA-O 3.25Å; V313-S403 PolarHBondContact N-O 2.8Å; A317-S403 WeakPolarHBondContact CB-O 3.38Å; L400-S403 PolarHBondContact O-N 3.19Å; L400-S403 PolarHBondContact O-OG 3.38Å; R401-S403 PolarHBondContact O-N 3.31Å
404G97.6Very high96.4Very high4 Ų446.6 Ų46.64%0.04125%0.245CC..EExtended strand (participates in β ladder)trans158.3-149.9177.100000115.2Q311 L400 R401Q311-G404 CarbonylContact O-C 3.55Å; Q311-G404 WeakPolarHBondContact O-CA 3.46Å; L400-G404 PolarHBondContact O-N 3.02Å; R401-G404 WeakPolarHBondContact CA-O 3.25Å
405L98Very high96.2Very high6 Ų654 Ų543%0.03127%0.272CS..EExtended strand (participates in β ladder)trans-110.6151.6-169.3-50.6180000111.6Q311 V313 I348 A390 H391 T394Q311-L405 HydrophobicContact CB-CB 4.14Å; Q311-L405 HydrophobicContact CG-CB 4.47Å; Q311-L405 PolarHBondContact N-O 3.45Å; Q311-L405 VanDerWaalsContact N-O 3.11Å; Q311-L405 PolarHBondContact O-N 3.34Å; V313-L405 HydrophobicContact CG2-CD1 4.34Å; V313-L405 HydrophobicContact CG2-CG 3.85Å; I348-L405 HydrophobicContact CD1-CD1 4.28Å; A390-L405 HydrophobicContact CB-CD1 3.47Å; A390-L405 VanDerWaalsContact CB-CD1 3.47Å; H391-L405 WeakPolarHBondContact ND1-CD2 3.34Å; T394-L405 HydrophobicContact CG2-CD2 4.3Å; T394-L405 WeakPolarHBondContact OG1-CB 3.42Å
406V97.6Very high95.9Very high51 Ų5153.9 Ų53.931%0.30927%0.272SS..SBendtrans-79.7-28.3-178.875.70000112.3T394 Y398T394-V406 HydrophobicContact CG2-CB 4.36Å; T394-V406 HydrophobicContact CG2-CG1 4.19Å; T394-V406 PolarHBondContact OG1-N 3.34Å; Y398-V406 HydrophobicContact CD1-CB 4.25Å; Y398-V406 HydrophobicContact CD2-CB 4.16Å; Y398-V406 HydrophobicContact CD2-CG2 4.09Å; Y398-V406 HydrophobicContact CE1-CB 4.02Å; Y398-V406 HydrophobicContact CE2-CB 3.94Å; Y398-V406 HydrophobicContact CE2-CG2 3.67Å; Y398-V406 HydrophobicContact CG-CB 4.32Å
407V97Very high95.5Very high18 Ų1852 Ų5211%0.10926%0.256CS..SBendtrans-102.6135177.4-177.30000109.2Q311 L393 E411 I412Q311-V407 WeakPolarHBondContact CB-O 3.19Å; L393-V407 HydrophobicContact CB-CB 4.44Å; L393-V407 HydrophobicContact CB-CG2 3.73Å; L393-V407 HydrophobicContact CD1-CG1 4.24Å; L393-V407 HydrophobicContact CD1-CG2 4.29Å; V407-E411 WeakPolarHBondContact CA-OE2 3.48Å; V407-E411 HydrophobicContact CG1-CB 4.18Å; V407-E411 WeakPolarHBondContact CG1-OE2 3.32Å; V407-I412 HydrophobicContact CG1-CD1 3.94Å; V407-I412 HydrophobicContact CG1-CG1 3.77Å
408T96.9Very high95.1Very high17 Ų1750.7 Ų50.710%0.10426%0.255CS..  trans-90.4152.5178.890.90000112.7P310 Q311 G410 E411 I412P310-T408 HydrophobicContact CB-CG2 4.04Å; P310-T408 WeakPolarHBondContact O-CG2 3.41Å; Q311-T408 HydrophobicContact CB-CG2 4.19Å; T408-G410 PolarHBondContact O-N 2.77Å; T408-E411 PolarHBondContact N-OE2 2.87Å; T408-E411 WeakPolarHBondContact O-CB 3.44Å; T408-E411 PolarHBondContact O-N 3.16Å; T408-E411 PolarHBondContact OG1-N 3.47Å; T408-I412 PolarHBondContact O-N 3.02Å
409V95.9Very high94.7Very high0 Ų056.8 Ų56.80%029%0.29CS..Hα-helixtrans-63.5-32.6179.6-179.20000111I348 L382 H386 I387 E411 I412 L413I348-V409 HydrophobicContact CD1-CG2 4.28Å; I348-V409 HydrophobicContact CG2-CG2 4.11Å; L382-V409 HydrophobicContact CD1-CB 4.43Å; L382-V409 HydrophobicContact CD1-CG1 4.05Å; L382-V409 HydrophobicContact CD1-CG2 4.18Å; L382-V409 HydrophobicContact CD2-CG1 3.71Å; L382-V409 HydrophobicContact CG-CG1 4.48Å; H386-V409 HydrophobicContact CB-CG1 4.27Å; I387-V409 HydrophobicContact CD1-CG2 3.75Å; V409-E411 PolarHBondContact O-N 3.4Å; V409-I412 PolarHBondContact O-N 3.45Å; V409-I412 VanDerWaalsContact O-N 3.1Å; V409-L413 HydrophobicContact CG1-CD1 3.95Å; V409-L413 HydrophobicContact CG1-CG 4.3Å; V409-L413 WeakPolarHBondContact O-CB 3.33Å; V409-L413 WeakPolarHBondContact O-CG 3.38Å; V409-L413 PolarHBondContact O-N 2.79Å
410G95.4Very high94.4Very high1 Ų153 Ų531%0.0126%0.262CS..Hα-helixtrans-61.2-38.6170.900000113.5T408 I412 E414T408-G410 PolarHBondContact O-N 2.77Å; G410-I412 VanDerWaalsContact C-N 3.25Å; G410-I412 PolarHBondContact O-N 3.06Å; G410-E414 VanDerWaalsContact O-CB 3.31Å; G410-E414 WeakPolarHBondContact O-CB 3.3Å; G410-E414 PolarHBondContact O-N 2.74Å
411E96.3Very high94.1Very high30 Ų3053.4 Ų53.414%0.1427%0.268CS..Hα-helixtrans-69.7-23173.8-63.5177.5137.700113V407 T408 V409 R415 R422V407-E411 WeakPolarHBondContact CA-OE2 3.48Å; V407-E411 HydrophobicContact CG1-CB 4.18Å; V407-E411 WeakPolarHBondContact CG1-OE2 3.32Å; T408-E411 PolarHBondContact N-OE2 2.87Å; T408-E411 WeakPolarHBondContact O-CB 3.44Å; T408-E411 PolarHBondContact O-N 3.16Å; T408-E411 PolarHBondContact OG1-N 3.47Å; V409-E411 PolarHBondContact O-N 3.4Å; E411-R415 VanDerWaalsContact O-CG 3.29Å; E411-R415 WeakPolarHBondContact O-CG 3.48Å; E411-R415 PolarHBondContact O-NH1 2.95Å; E411-R422 VanDerWaalsContact CD-CZ 3.41Å; E411-R422 HydrophobicContact CG-CG 4.32Å; E411-R422 IonicContact OE1-CZ 3.47Å; E411-R422 IonicContact OE1-NH1 2.67Å; E411-R422 PolarHBondContact OE1-NH1 2.9Å; E411-R422 IonicContact OE1-NH2 3.94Å; E411-R422 PolarHBondContact OE1-NH2 3.43Å; E411-R422 IonicContact OE2-NH2 3.9Å
412I96.4Very high93.8Very high1 Ų153 Ų531%0.00527%0.267CS..Hα-helixtrans-82.2-47.2178.1-69.9168.3000109.7H386 Q389 A390 V407 T408 V409 G410 E414 R415 S416H386-I412 HydrophobicContact CB-CG2 3.97Å; H386-I412 WeakPolarHBondContact O-CD1 3.35Å; Q389-I412 HydrophobicContact CB-CD1 4.31Å; Q389-I412 HydrophobicContact CB-CG2 4.33Å; Q389-I412 HydrophobicContact CG-CD1 4.41Å; Q389-I412 HydrophobicContact CG-CG2 4.29Å; Q389-I412 VanDerWaalsContact OE1-CG2 3.26Å; A390-I412 VanDerWaalsContact CA-CD1 3.46Å; A390-I412 HydrophobicContact CB-CD1 3.43Å; A390-I412 VanDerWaalsContact CB-CD1 3.43Å; V407-I412 HydrophobicContact CG1-CD1 3.94Å; V407-I412 HydrophobicContact CG1-CG1 3.77Å; T408-I412 PolarHBondContact O-N 3.02Å; V409-I412 PolarHBondContact O-N 3.45Å; V409-I412 VanDerWaalsContact O-N 3.1Å; G410-I412 VanDerWaalsContact C-N 3.25Å; G410-I412 PolarHBondContact O-N 3.06Å; I412-E414 VanDerWaalsContact C-N 3.33Å; I412-E414 PolarHBondContact O-N 3.45Å; I412-R415 CarbonylContact O-C 3.54Å; I412-R415 PolarHBondContact O-N 3.33Å; I412-S416 WeakPolarHBondContact O-CB 3.33Å; I412-S416 PolarHBondContact O-N 3.11Å; I412-S416 PolarHBondContact O-OG 3.27Å
413L94.6Very high93.5Very high4 Ų450 Ų502%0.02127%0.265CS..Hα-helixtrans-57.9-42.3175.3-73.9165.4000112.4H386 V409 R415 S416 L417 I420 W425H386-L413 WeakPolarHBondContact CE1-CD2 3.27Å; V409-L413 HydrophobicContact CG1-CD1 3.95Å; V409-L413 HydrophobicContact CG1-CG 4.3Å; V409-L413 WeakPolarHBondContact O-CB 3.33Å; V409-L413 WeakPolarHBondContact O-CG 3.38Å; V409-L413 PolarHBondContact O-N 2.79Å; L413-R415 PolarHBondContact O-N 3.42Å; L413-S416 WeakPolarHBondContact CA-OG 3.47Å; L413-S416 PolarHBondContact O-N 3.49Å; L413-S416 PolarHBondContact O-OG 2.84Å; L413-L417 HydrophobicContact CD2-CD1 3.87Å; L413-L417 PolarHBondContact O-N 3.1Å; L413-I420 HydrophobicContact CB-CG2 4.28Å; L413-W425 HydrophobicContact CD1-CB 3.98Å; L413-W425 HydrophobicContact CD1-CD2 3.37Å; L413-W425 HydrophobicContact CD1-CE3 3.42Å; L413-W425 VanDerWaalsContact CD1-CE3 3.42Å; L413-W425 HydrophobicContact CD1-CG 3.63Å; L413-W425 HydrophobicContact CD1-CZ3 4.1Å
414E94.8Very high93.2Very high94 Ų9451.6 Ų51.644%0.43927%0.273SS..Hα-helixtrans-63.2-27.9175.4-179171.8-98.200113G410 I412 R422G410-E414 VanDerWaalsContact O-CB 3.31Å; G410-E414 WeakPolarHBondContact O-CB 3.3Å; G410-E414 PolarHBondContact O-N 2.74Å; I412-E414 VanDerWaalsContact C-N 3.33Å; I412-E414 PolarHBondContact O-N 3.45Å; E414-R422 HydrophobicContact CB-CB 4.32Å; E414-R422 WeakPolarHBondContact OE1-CB 3.08Å; E414-R422 PolarHBondContact OE1-N 3.49Å
415R93.1Very high93Very high163 Ų16351.9 Ų51.962%0.61527%0.273SS*.Hα-helixtrans-89.2-28.5176-67.8-179.8-164.9109.7-7113.4E411 I412 L413E411-R415 VanDerWaalsContact O-CG 3.29Å; E411-R415 WeakPolarHBondContact O-CG 3.48Å; E411-R415 PolarHBondContact O-NH1 2.95Å; I412-R415 CarbonylContact O-C 3.54Å; I412-R415 PolarHBondContact O-N 3.33Å; L413-R415 PolarHBondContact O-N 3.42Å
416S90Very high92.9Very high52 Ų5251.7 Ų51.736%0.36427%0.272SS..Hα-helixtrans-90.9-26.2-176.265.20000113.7H386 I412 L413H386-S416 PolarHBondContact NE2-OG 3.29Å; H386-S416 VanDerWaalsContact NE2-OG 3.14Å; I412-S416 WeakPolarHBondContact O-CB 3.33Å; I412-S416 PolarHBondContact O-N 3.11Å; I412-S416 PolarHBondContact O-OG 3.27Å; L413-S416 WeakPolarHBondContact CA-OG 3.47Å; L413-S416 PolarHBondContact O-N 3.49Å; L413-S416 PolarHBondContact O-OG 2.84Å
417L87.7Confident92.7Very high74 Ų7455.2 Ų55.239%0.38728%0.283SS..SBendtrans-128.4132.6-171.8-64.1173.7000112.5L413 I420L413-L417 HydrophobicContact CD2-CD1 3.87Å; L413-L417 PolarHBondContact O-N 3.1Å; L417-I420 HydrophobicContact CB-CD1 3.53Å; L417-I420 HydrophobicContact CB-CG1 3.87Å; L417-I420 HydrophobicContact CD1-CD1 3.53Å; L417-I420 HydrophobicContact CG-CD1 4.17Å
418P87.8Confident92.4Very high110 Ų11057.8 Ų57.871%0.71430%0.302SS*.THydrogen-bonded Turntrans-69.8144.7-179.329.7-35.1000111.8I420P418-I420 PolarHBondContact O-N 3.37Å
419N87.5Confident92Very high166 Ų16660.1 Ų60.189%0.88832%0.316SS*.THydrogen-bonded Turntrans62.421177.3-46.9-55.8000115.4
420I91.1Very high91.8Very high20 Ų2062.9 Ų62.910%0.10333%0.333CS..  trans-94.9131170.1-59.3-159.6000109.8L413 L417 P418 W425L413-I420 HydrophobicContact CB-CG2 4.28Å; L417-I420 HydrophobicContact CB-CD1 3.53Å; L417-I420 HydrophobicContact CB-CG1 3.87Å; L417-I420 HydrophobicContact CD1-CD1 3.53Å; L417-I420 HydrophobicContact CG-CD1 4.17Å; P418-I420 PolarHBondContact O-N 3.37Å; I420-W425 HydrophobicContact CG2-CB 3.49Å; I420-W425 VanDerWaalsContact CG2-CB 3.49Å
421S90.4Very high91.7Very high53 Ų5365.7 Ų65.737%0.37136%0.362SS..  trans-87.1134.1169.2172.80000110.2T423 D424 W425S421-T423 PolarHBondContact O-N 3.46Å; S421-T423 VanDerWaalsContact O-N 3.08Å; S421-T423 PolarHBondContact OG-N 2.76Å; S421-T423 PolarHBondContact OG-OG1 3.47Å; S421-D424 PolarHBondContact O-N 2.99Å; S421-W425 WeakPolarHBondContact O-CB 3.47Å; S421-W425 PolarHBondContact O-N 3.26Å; S421-W425 VanDerWaalsContact O-N 3.13Å
422R90.6Very high91.6Very high98 Ų9867.4 Ų67.437%0.3737%0.371SS..THydrogen-bonded Turntrans-49.1-32.5170.2170.1-174.6178.8152.615.3113.9E411 E414E411-R422 VanDerWaalsContact CD-CZ 3.41Å; E411-R422 HydrophobicContact CG-CG 4.32Å; E411-R422 IonicContact OE1-CZ 3.47Å; E411-R422 IonicContact OE1-NH1 2.67Å; E411-R422 PolarHBondContact OE1-NH1 2.9Å; E411-R422 IonicContact OE1-NH2 3.94Å; E411-R422 PolarHBondContact OE1-NH2 3.43Å; E411-R422 IonicContact OE2-NH2 3.9Å; E414-R422 HydrophobicContact CB-CB 4.32Å; E414-R422 WeakPolarHBondContact OE1-CB 3.08Å; E414-R422 PolarHBondContact OE1-N 3.49Å
423T87.8Confident91.5Very high84 Ų8468.9 Ų68.952%0.51538%0.382SS..THydrogen-bonded Turntrans-94.7-16.1-171.2540000114.8M281 S421 Q434M281-T423 WeakPolarHBondContact CE-O 3.39Å; S421-T423 PolarHBondContact O-N 3.46Å; S421-T423 VanDerWaalsContact O-N 3.08Å; S421-T423 PolarHBondContact OG-N 2.76Å; S421-T423 PolarHBondContact OG-OG1 3.47Å; T423-Q434 PolarHBondContact O-OE1 3.18Å
424D90.8Very high91.6Very high37 Ų3769.8 Ų69.820%0.19839%0.386CS..SBendtrans-139.939.8178.6-167.228.3000111.2S421 H426 K427 S433 Q434S421-D424 PolarHBondContact O-N 2.99Å; D424-H426 PolarHBondContact O-N 3.24Å; D424-K427 WeakPolarHBondContact O-CB 3.45Å; D424-K427 PolarHBondContact O-N 3.21Å; D424-K427 WeakPolarHBondContact OD2-CD 3.26Å; D424-S433 WeakPolarHBondContact OD1-CA 3.23Å; D424-S433 WeakPolarHBondContact OD1-CB 3.46Å; D424-S433 WeakPolarHBondContact OD2-CB 3.19Å; D424-Q434 PolarHBondContact OD1-N 3.37Å
425W94.1Very high91.6Very high10 Ų1067.1 Ų67.14%0.03837%0.374CS..Hα-helixtrans-63.4-27.2-179.665.1-98.7000112.3D358 T380 L382 L413 I420 S421 K427 S428 V429D358-W425 HydrophobicContact CB-CH2 3.8Å; D358-W425 HydrophobicContact CB-CZ2 3.76Å; T380-W425 HydrophobicContact CG2-CH2 3.56Å; T380-W425 HydrophobicContact CG2-CZ3 3.55Å; L382-W425 HydrophobicContact CD2-CH2 3.36Å; L382-W425 HydrophobicContact CD2-CZ2 4.05Å; L382-W425 HydrophobicContact CD2-CZ3 3.74Å; L382-W425 HydrophobicContact CG-CH2 4.31Å; L413-W425 HydrophobicContact CD1-CB 3.98Å; L413-W425 HydrophobicContact CD1-CD2 3.37Å; L413-W425 HydrophobicContact CD1-CE3 3.42Å; L413-W425 VanDerWaalsContact CD1-CE3 3.42Å; L413-W425 HydrophobicContact CD1-CG 3.63Å; L413-W425 HydrophobicContact CD1-CZ3 4.1Å; I420-W425 HydrophobicContact CG2-CB 3.49Å; I420-W425 VanDerWaalsContact CG2-CB 3.49Å; S421-W425 WeakPolarHBondContact O-CB 3.47Å; S421-W425 PolarHBondContact O-N 3.26Å; S421-W425 VanDerWaalsContact O-N 3.13Å; W425-K427 PolarHBondContact O-N 3.18Å; W425-S428 PolarHBondContact O-N 2.85Å; W425-V429 HydrophobicContact CE3-CB 4.19Å; W425-V429 HydrophobicContact CE3-CG2 3.78Å; W425-V429 HydrophobicContact CZ3-CB 4.27Å; W425-V429 HydrophobicContact CZ3-CG1 4.44Å; W425-V429 HydrophobicContact CZ3-CG2 4.17Å; W425-V429 PolarHBondContact O-N 3.15Å; W425-V429 VanDerWaalsContact O-N 3.11Å
426H94.9Very high91.8Very high2 Ų263.1 Ų63.11%0.00936%0.362CS..Hα-helixtrans-49.9-39.1173.2-60.572000112D358 T380 D424 S428 V429 T430 L432 Q434 I437D358-H426 IonicContact OD2-CD2 3.99Å; D358-H426 IonicContact OD2-CE1 3.88Å; D358-H426 PolarHBondContact OD2-CE1 3.15Å; D358-H426 IonicContact OD2-NE2 2.71Å; D358-H426 PolarHBondContact OD2-NE2 2.82Å; T380-H426 PolarHBondContact OG1-CD2 2.63Å; D424-H426 PolarHBondContact O-N 3.24Å; H426-S428 PolarHBondContact O-N 2.82Å; H426-V429 PolarHBondContact O-N 3.39Å; H426-T430 WeakPolarHBondContact O-CB 3.22Å; H426-T430 PolarHBondContact O-N 3.43Å; H426-T430 PolarHBondContact O-OG1 2.67Å; H426-L432 CarbonylContact C-O 3.51Å; H426-L432 WeakPolarHBondContact CB-O 3.2Å; H426-Q434 HydrophobicContact CB-CB 4.48Å; H426-Q434 PolarHBondContact CE1-NE2 3.03Å; H426-I437 HydrophobicContact CB-CD1 3.9Å
427K93.9Very high92.2Very high125 Ų12561.2 Ų61.254%0.54335%0.347SS..Hα-helixtrans-64.8-39.6179.9-169.3176.3-179.3177.20112.4D424 W425 G431 L432D424-K427 WeakPolarHBondContact O-CB 3.45Å; D424-K427 PolarHBondContact O-N 3.21Å; D424-K427 WeakPolarHBondContact OD2-CD 3.26Å; W425-K427 PolarHBondContact O-N 3.18Å; K427-G431 WeakPolarHBondContact O-CA 3.29Å; K427-G431 PolarHBondContact O-N 2.88Å; K427-L432 VanDerWaalsContact CA-O 3.22Å; K427-L432 WeakPolarHBondContact CA-O 3.35Å; K427-L432 PolarHBondContact N-O 2.89Å
428S90.9Very high92.7Very high72 Ų7257.8 Ų57.850%0.50333%0.329SS..Hα-helixtrans-74.2-28.4177.8-60.40000112.8W425 H426W425-S428 PolarHBondContact O-N 2.85Å; H426-S428 PolarHBondContact O-N 2.82Å
429V87.9Confident93.2Very high67 Ų6754.1 Ų54.141%0.40630%0.303SS..Hα-helixtrans-90.2-36.4-178175.20000112.9W425 H426W425-V429 HydrophobicContact CE3-CB 4.19Å; W425-V429 HydrophobicContact CE3-CG2 3.78Å; W425-V429 HydrophobicContact CZ3-CB 4.27Å; W425-V429 HydrophobicContact CZ3-CG1 4.44Å; W425-V429 HydrophobicContact CZ3-CG2 4.17Å; W425-V429 PolarHBondContact O-N 3.15Å; W425-V429 VanDerWaalsContact O-N 3.11Å; H426-V429 PolarHBondContact O-N 3.39Å
430T91.8Very high93.7Very high58 Ų5849.4 Ų49.436%0.35628%0.282SS..Hα-helixtrans-120.1-14.6-171.571.10000114.5T380 H426 L432T380-T430 HydrophobicContact CG2-CG2 3.65Å; H426-T430 WeakPolarHBondContact O-CB 3.22Å; H426-T430 PolarHBondContact O-N 3.43Å; H426-T430 PolarHBondContact O-OG1 2.67Å; T430-L432 PolarHBondContact O-N 3.41Å; T430-L432 PolarHBondContact OG1-N 3.06Å; T430-L432 VanDerWaalsContact OG1-N 3.09Å; T430-L432 PolarHBondContact OG1-O 2.86Å
431G93.1Very high94.1Very high59 Ų5948.7 Ų48.761%0.60828%0.279SS*.SBendtrans81.8-14-168.300000114.7K427K427-G431 WeakPolarHBondContact O-CA 3.29Å; K427-G431 PolarHBondContact O-N 2.88Å
432L94.3Very high94.5Very high66 Ų6646.2 Ų46.235%0.34626%0.262SS..SBendtrans-97.3132176.1-57.9-177.9000110.6H426 K427 T430 I437H426-L432 CarbonylContact C-O 3.51Å; H426-L432 WeakPolarHBondContact CB-O 3.2Å; K427-L432 VanDerWaalsContact CA-O 3.22Å; K427-L432 WeakPolarHBondContact CA-O 3.35Å; K427-L432 PolarHBondContact N-O 2.89Å; T430-L432 PolarHBondContact O-N 3.41Å; T430-L432 PolarHBondContact OG1-N 3.06Å; T430-L432 VanDerWaalsContact OG1-N 3.09Å; T430-L432 PolarHBondContact OG1-O 2.86Å; L432-I437 HydrophobicContact CB-CD1 4.23Å; L432-I437 HydrophobicContact CB-CG1 4.11Å
433S95.3Very high94.8Very high33 Ų3345.4 Ų45.423%0.23126%0.261CS..  trans-72.2151.7172.8590000111.7D424 H435 H436 I437D424-S433 WeakPolarHBondContact OD1-CA 3.23Å; D424-S433 WeakPolarHBondContact OD1-CB 3.46Å; D424-S433 WeakPolarHBondContact OD2-CB 3.19Å; S433-H435 PolarHBondContact O-N 3.42Å; S433-H436 PolarHBondContact O-N 3.34Å; S433-H436 PolarHBondContact OG-N 3.08Å; S433-I437 PolarHBondContact O-N 3.26Å; S433-I437 VanDerWaalsContact O-N 3.1Å
434Q95Very high95.3Very high22 Ų2245.1 Ų45.110%0.10326%0.259CS..Hα-helixtrans-55.9-37.8173.9174.3159.584.500111.3M281 N346 T423 D424 H426 H436 I437 I438M281-Q434 HydrophobicContact CE-CB 4.3Å; M281-Q434 HydrophobicContact CE-CG 3.94Å; M281-Q434 HydrophobicContact SD-CB 3.89Å; M281-Q434 HydrophobicContact SD-CG 4.02Å; N346-Q434 PolarHBondContact ND2-NE2 3.3Å; T423-Q434 PolarHBondContact O-OE1 3.18Å; D424-Q434 PolarHBondContact OD1-N 3.37Å; H426-Q434 HydrophobicContact CB-CB 4.48Å; H426-Q434 PolarHBondContact CE1-NE2 3.03Å; Q434-H436 VanDerWaalsContact C-N 3.34Å; Q434-H436 PolarHBondContact O-N 3.03Å; Q434-I437 PolarHBondContact O-N 3.37Å; Q434-I438 HydrophobicContact CG-CD1 3.62Å; Q434-I438 HydrophobicContact CG-CG1 4.27Å; Q434-I438 WeakPolarHBondContact O-CD1 3.32Å; Q434-I438 VanDerWaalsContact O-CG1 3.27Å; Q434-I438 WeakPolarHBondContact O-CG1 3.5Å; Q434-I438 PolarHBondContact O-N 2.85Å
435H96.8Very high95.7Very high39 Ų3943.4 Ų43.418%0.18125%0.25CC..Hα-helixtrans-51.3-49.9171.3-176.4-82.4000112.5M281 A285 E288 S433 I438 Q439M281-H435 HydrophobicContact CG-CB 3.92Å; M281-H435 PolarHBondContact O-CD2 3.1Å; M281-H435 VanDerWaalsContact O-CD2 3.27Å; M281-H435 HydrophobicContact SD-CB 4.4Å; A285-H435 WeakPolarHBondContact CB-O 3.13Å; A285-H435 PolarHBondContact N-NE2 3.42Å; E288-H435 IonicContact OE1-CE1 2.82Å; E288-H435 IonicContact OE2-CE1 3.02Å; E288-H435 PolarHBondContact OE2-CE1 3.13Å; S433-H435 PolarHBondContact O-N 3.42Å; H435-I438 PolarHBondContact O-N 3.27Å; H435-Q439 VanDerWaalsContact O-CB 3.26Å; H435-Q439 WeakPolarHBondContact O-CB 3.5Å; H435-Q439 PolarHBondContact O-N 3.24Å
436H97.1Very high95.9Very high78 Ų7842.9 Ų42.936%0.36125%0.248SC..Hα-helixtrans-69.5-38.5-177.2-17163.5000112S433 Q434 I438 Q439 C440S433-H436 PolarHBondContact O-N 3.34Å; S433-H436 PolarHBondContact OG-N 3.08Å; Q434-H436 VanDerWaalsContact C-N 3.34Å; Q434-H436 PolarHBondContact O-N 3.03Å; H436-I438 PolarHBondContact O-N 3.34Å; H436-Q439 PolarHBondContact ND1-OE1 3.18Å; H436-Q439 PolarHBondContact O-N 3.11Å; H436-C440 PolarHBondContact O-N 3.06Å; H436-C440 PolarHBondContact O-SG 2.73Å; H436-C440 VanDerWaalsContact O-SG 3.39Å
437I97.7Very high96Very high12 Ų1244 Ų446%0.06226%0.259CS..Hα-helixtrans-60.7-44.8175.5-66169.5000110.8T377 H426 L432 S433 Q434 A441T377-I437 HydrophobicContact CG2-CG2 4.01Å; H426-I437 HydrophobicContact CB-CD1 3.9Å; L432-I437 HydrophobicContact CB-CD1 4.23Å; L432-I437 HydrophobicContact CB-CG1 4.11Å; S433-I437 PolarHBondContact O-N 3.26Å; S433-I437 VanDerWaalsContact O-N 3.1Å; Q434-I437 PolarHBondContact O-N 3.37Å; I437-A441 PolarHBondContact O-N 3.28Å
438I98.1Very high96.2Very high2 Ų241.1 Ų41.11%0.0125%0.25CC..Hα-helixtrans-65.8-45.8175.5-64.7162.3000110.6A285 L344 Q434 H435 H436 C440 A441 A442A285-I438 HydrophobicContact CB-CB 3.92Å; A285-I438 HydrophobicContact CB-CG2 3.68Å; L344-I438 HydrophobicContact CD2-CD1 3.49Å; L344-I438 VanDerWaalsContact CD2-CD1 3.49Å; L344-I438 HydrophobicContact CD2-CG1 3.75Å; L344-I438 HydrophobicContact CD2-CG2 4.03Å; Q434-I438 HydrophobicContact CG-CD1 3.62Å; Q434-I438 HydrophobicContact CG-CG1 4.27Å; Q434-I438 WeakPolarHBondContact O-CD1 3.32Å; Q434-I438 VanDerWaalsContact O-CG1 3.27Å; Q434-I438 WeakPolarHBondContact O-CG1 3.5Å; Q434-I438 PolarHBondContact O-N 2.85Å; H435-I438 PolarHBondContact O-N 3.27Å; H436-I438 PolarHBondContact O-N 3.34Å; I438-C440 VanDerWaalsContact C-N 3.32Å; I438-C440 PolarHBondContact O-N 2.78Å; I438-A441 PolarHBondContact O-N 3.19Å; I438-A441 VanDerWaalsContact O-N 3.14Å; I438-A442 WeakPolarHBondContact O-CB 3.31Å; I438-A442 PolarHBondContact O-N 3.28Å
439Q98.4Very high96.4Very high34 Ų3437.8 Ų37.816%0.15923%0.226CC..Hα-helixtrans-57.4-43.2-179.6178.5178.138.800112A285 E288 H435 H436 A442 K443A285-Q439 HydrophobicContact CB-CB 4.12Å; E288-Q439 PolarHBondContact OE2-NE2 3.02Å; H435-Q439 VanDerWaalsContact O-CB 3.26Å; H435-Q439 WeakPolarHBondContact O-CB 3.5Å; H435-Q439 PolarHBondContact O-N 3.24Å; H436-Q439 PolarHBondContact ND1-OE1 3.18Å; H436-Q439 PolarHBondContact O-N 3.11Å; Q439-A442 PolarHBondContact O-N 3.43Å; Q439-K443 VanDerWaalsContact O-CB 3.3Å; Q439-K443 WeakPolarHBondContact O-CB 3.5Å; Q439-K443 PolarHBondContact O-N 3.4Å
440C98.3Very high96.7Very high66 Ų6638.7 Ų38.745%0.44623%0.225SC..Hα-helixtrans-61-44.4176-73.40000112.4H436 I438 K443 V444H436-C440 PolarHBondContact O-N 3.06Å; H436-C440 PolarHBondContact O-SG 2.73Å; H436-C440 VanDerWaalsContact O-SG 3.39Å; I438-C440 VanDerWaalsContact C-N 3.32Å; I438-C440 PolarHBondContact O-N 2.78Å; C440-K443 PolarHBondContact O-N 3.35Å; C440-V444 PolarHBondContact O-N 3.47Å
441A98.6Very high96.8Very high6 Ų642.1 Ų42.15%0.0524%0.237CC..Hα-helixtrans-68.4-43.9177.300000112.2L362 V375 T377 I437 I438 K443 V444 L445L362-A441 HydrophobicContact CD1-CB 3.7Å; L362-A441 HydrophobicContact CD2-CB 4Å; V375-A441 HydrophobicContact CG1-CB 4.21Å; T377-A441 HydrophobicContact CG2-CB 3.89Å; I437-A441 PolarHBondContact O-N 3.28Å; I438-A441 PolarHBondContact O-N 3.19Å; I438-A441 VanDerWaalsContact O-N 3.14Å; A441-K443 PolarHBondContact O-N 2.79Å; A441-V444 WeakPolarHBondContact O-CB 3.38Å; A441-V444 PolarHBondContact O-N 3.23Å; A441-V444 VanDerWaalsContact O-N 3.15Å; A441-L445 PolarHBondContact O-N 3.09Å
442A98.6Very high96.7Very high0 Ų043.2 Ų43.20%023%0.226CC..Hα-helixtrans-61.6-31.617700000112.2V286 A289 L362 I438 Q439 L445 A446V286-A442 HydrophobicContact CG2-CB 4.06Å; A289-A442 HydrophobicContact CB-CB 3.62Å; L362-A442 HydrophobicContact CD2-CB 3.91Å; I438-A442 WeakPolarHBondContact O-CB 3.31Å; I438-A442 PolarHBondContact O-N 3.28Å; Q439-A442 PolarHBondContact O-N 3.43Å; A442-L445 PolarHBondContact O-N 3.24Å; A442-A446 VanDerWaalsContact O-CB 3.29Å; A442-A446 WeakPolarHBondContact O-CB 3.5Å; A442-A446 PolarHBondContact O-N 3.15Å
443K98.4Very high96.5Very high81 Ų8141.1 Ų41.135%0.35222%0.215SC..Hα-helixtrans-71.1-36.5176-173.9174-178.5169.10112.6A289 E292 V293 Q439 C440 A441 G447A289-K443 HydrophobicContact CB-CB 3.99Å; E292-K443 WeakPolarHBondContact OE1-CE 3.35Å; E292-K443 IonicContact OE1-NZ 2.69Å; E292-K443 PolarHBondContact OE1-NZ 2.95Å; E292-K443 VanDerWaalsContact OE2-CE 3.22Å; E292-K443 WeakPolarHBondContact OE2-CE 3.47Å; E292-K443 IonicContact OE2-NZ 2.63Å; E292-K443 PolarHBondContact OE2-NZ 3.36Å; V293-K443 HydrophobicContact CG2-CG 3.99Å; Q439-K443 VanDerWaalsContact O-CB 3.3Å; Q439-K443 WeakPolarHBondContact O-CB 3.5Å; Q439-K443 PolarHBondContact O-N 3.4Å; C440-K443 PolarHBondContact O-N 3.35Å; A441-K443 PolarHBondContact O-N 2.79Å; K443-G447 PolarHBondContact O-N 3.5Å
444V98.6Very high95.7Very high79 Ų7944.6 Ų44.648%0.47923%0.23SC..Hα-helixtrans-64.7-47.5170.1174.80000109.9V375 C440 A441 A446 G447 L448V375-V444 HydrophobicContact CG1-CB 4.27Å; V375-V444 HydrophobicContact CG1-CG1 4.2Å; V375-V444 HydrophobicContact CG2-CG1 4.3Å; C440-V444 PolarHBondContact O-N 3.47Å; A441-V444 WeakPolarHBondContact O-CB 3.38Å; A441-V444 PolarHBondContact O-N 3.23Å; A441-V444 VanDerWaalsContact O-N 3.15Å; V444-A446 PolarHBondContact O-N 2.96Å; V444-G447 PolarHBondContact O-N 3.31Å; V444-G447 VanDerWaalsContact O-N 3.17Å; V444-L448 HydrophobicContact CG1-CD1 4.02Å; V444-L448 HydrophobicContact CG1-CG 4.41Å; V444-L448 WeakPolarHBondContact O-CG 3.47Å; V444-L448 PolarHBondContact O-N 3.14Å
445L98.6Very high94.4Very high0 Ų048.2 Ų48.20%026%0.256CS..Hα-helixtrans-57.3-48.5177.7-171.869.4000112.1V342 L362 L364 L373 V375 A441 A442 G447 L448 Y449V342-L445 HydrophobicContact CG1-CD2 3.97Å; V342-L445 HydrophobicContact CG2-CD2 4.28Å; L362-L445 HydrophobicContact CB-CD2 3.99Å; L362-L445 HydrophobicContact CD2-CD2 4.28Å; L364-L445 HydrophobicContact CB-CD1 3.89Å; L364-L445 HydrophobicContact CB-CD2 3.96Å; L364-L445 HydrophobicContact CB-CG 3.99Å; L373-L445 HydrophobicContact CB-CD1 3.72Å; V375-L445 HydrophobicContact CB-CB 4.41Å; V375-L445 HydrophobicContact CB-CD1 4.2Å; V375-L445 HydrophobicContact CG2-CB 4.07Å; V375-L445 HydrophobicContact CG2-CD1 3.69Å; A441-L445 PolarHBondContact O-N 3.09Å; A442-L445 PolarHBondContact O-N 3.24Å; L445-G447 VanDerWaalsContact C-N 3.33Å; L445-G447 PolarHBondContact O-N 3.49Å; L445-L448 PolarHBondContact O-N 3.47Å; L445-Y449 WeakPolarHBondContact O-CB 3.44Å; L445-Y449 PolarHBondContact O-N 3.34Å
446A97.6Very high92.5Very high0 Ų054.2 Ų54.20%028%0.277CS..Hα-helixtrans-60.5-40.3175.700000112.4F290 V293 F294 A442 V444 Y449 K450F290-A446 HydrophobicContact CD1-CB 3.67Å; F290-A446 HydrophobicContact CD2-CB 3.83Å; F290-A446 HydrophobicContact CE1-CB 3.64Å; F290-A446 HydrophobicContact CE2-CB 3.79Å; F290-A446 HydrophobicContact CG-CB 3.79Å; F290-A446 HydrophobicContact CZ-CB 3.7Å; V293-A446 HydrophobicContact CB-CB 3.92Å; V293-A446 HydrophobicContact CG1-CB 4.08Å; V293-A446 HydrophobicContact CG2-CB 3.96Å; F294-A446 HydrophobicContact CE2-CB 4.16Å; A442-A446 VanDerWaalsContact O-CB 3.29Å; A442-A446 WeakPolarHBondContact O-CB 3.5Å; A442-A446 PolarHBondContact O-N 3.15Å; V444-A446 PolarHBondContact O-N 2.96Å; A446-Y449 PolarHBondContact O-N 3.33Å; A446-K450 WeakPolarHBondContact O-CB 3.17Å; A446-K450 PolarHBondContact O-N 3.34Å
447G96.9Very high90.6Very high24 Ų2455.4 Ų55.425%0.24729%0.29CS..Hα-helixtrans-64.7-45.417700000113K443 V444 L445 K450 Q451K443-G447 PolarHBondContact O-N 3.5Å; V444-G447 PolarHBondContact O-N 3.31Å; V444-G447 VanDerWaalsContact O-N 3.17Å; L445-G447 VanDerWaalsContact C-N 3.33Å; L445-G447 PolarHBondContact O-N 3.49Å; G447-K450 PolarHBondContact O-N 2.96Å; G447-Q451 WeakPolarHBondContact O-CG 3.4Å; G447-Q451 PolarHBondContact O-N 3.04Å
448L97.6Very high87.9Confident66 Ų6667 Ų6735%0.34634%0.343SS..Hα-helixtrans-63.4-42.9175.3-68.6172.4000111.5L373 V375 V444 L445 Q451 Q452L373-L448 HydrophobicContact CD1-CB 4.01Å; L373-L448 HydrophobicContact CD2-CB 4.41Å; V375-L448 HydrophobicContact CG2-CD1 3.89Å; V444-L448 HydrophobicContact CG1-CD1 4.02Å; V444-L448 HydrophobicContact CG1-CG 4.41Å; V444-L448 WeakPolarHBondContact O-CG 3.47Å; V444-L448 PolarHBondContact O-N 3.14Å; L445-L448 PolarHBondContact O-N 3.47Å; L448-Q451 WeakPolarHBondContact O-CB 3.4Å; L448-Q451 PolarHBondContact O-N 2.99Å; L448-Q452 PolarHBondContact O-N 3.38Å; L448-Q452 VanDerWaalsContact O-N 3.16Å
449Y96.8Very high87.4Confident2 Ų270.2 Ų70.21%0.00836%0.36CS..Hα-helixtrans-63.3-46.2177.9-178.4-137.8000111.9I271 I273 F290 F294 P340 L364 D366 I371 L373 L445 A446 Q451 Q452 L453I271-Y449 HydrophobicContact CD1-CD1 4.1Å; I271-Y449 HydrophobicContact CD1-CE1 3.32Å; I271-Y449 HydrophobicContact CG1-CE1 4.42Å; I273-Y449 HydrophobicContact CD1-CE1 4.23Å; F290-Y449 AromaticContact CE1-CD1 3.99Å; F290-Y449 HydrophobicContact CE1-CD1 3.99Å; F294-Y449 HydrophobicContact CE2-CD1 4.37Å; F294-Y449 AromaticContact CZ-CD1 3.86Å; F294-Y449 HydrophobicContact CZ-CD1 3.86Å; F294-Y449 HydrophobicContact CZ-CE1 4.47Å; P340-Y449 HydrophobicContact CB-CE1 4.46Å; P340-Y449 WeakPolarHBondContact CB-OH 3.22Å; P340-Y449 WeakPolarHBondContact CG-OH 3.45Å; L364-Y449 HydrophobicContact CD1-CD1 3.56Å; L364-Y449 HydrophobicContact CD1-CD2 4.23Å; L364-Y449 HydrophobicContact CD1-CE1 3.9Å; L364-Y449 HydrophobicContact CD1-CG 3.71Å; L364-Y449 HydrophobicContact CD2-CD1 4.4Å; L364-Y449 HydrophobicContact CD2-CD2 3.67Å; L364-Y449 HydrophobicContact CD2-CE1 4.43Å; L364-Y449 HydrophobicContact CD2-CE2 3.77Å; L364-Y449 HydrophobicContact CD2-CG 4Å; D366-Y449 HydrophobicContact CB-CE2 4.13Å; D366-Y449 PolarHBondContact OD2-OH 3.38Å; I371-Y449 HydrophobicContact CB-CE2 4.46Å; I371-Y449 HydrophobicContact CD1-CD2 4.04Å; I371-Y449 HydrophobicContact CD1-CE2 3.83Å; I371-Y449 HydrophobicContact CG2-CD2 3.91Å; I371-Y449 HydrophobicContact CG2-CE2 4.15Å; L373-Y449 HydrophobicContact CD1-CD2 4.44Å; L445-Y449 WeakPolarHBondContact O-CB 3.44Å; L445-Y449 PolarHBondContact O-N 3.34Å; A446-Y449 PolarHBondContact O-N 3.33Å; Y449-Q451 PolarHBondContact O-N 3.45Å; Y449-Q452 PolarHBondContact O-N 3.16Å; Y449-L453 HydrophobicContact CD1-CD1 4.13Å; Y449-L453 HydrophobicContact CD2-CD1 4.28Å; Y449-L453 HydrophobicContact CD2-CG 4.16Å; Y449-L453 HydrophobicContact CE1-CD1 3.89Å; Y449-L453 HydrophobicContact CE2-CD1 3.99Å; Y449-L453 HydrophobicContact CE2-CD2 3.85Å; Y449-L453 HydrophobicContact CE2-CG 3.88Å; Y449-L453 HydrophobicContact CG-CD1 4.36Å; Y449-L453 WeakPolarHBondContact O-CG 3.22Å; Y449-L453 PolarHBondContact O-N 2.85Å
450K93.7Very high86.8Confident86 Ų8672.1 Ų72.137%0.37437%0.371SS..Hα-helixtrans-55.7-40.6174.9-168.4172.6-171.4176.10112V293 F294 A446 G447 Q452 L453 L454V293-K450 HydrophobicContact CG1-CB 4.25Å; V293-K450 HydrophobicContact CG1-CD 3.86Å; V293-K450 PolarHBondContact O-NZ 3.2Å; F294-K450 HydrophobicContact CD1-CD 4.47Å; F294-K450 HydrophobicContact CE1-CB 4.03Å; F294-K450 HydrophobicContact CE1-CD 4.39Å; F294-K450 HydrophobicContact CE1-CG 3.99Å; F294-K450 HydrophobicContact CE2-CB 4.16Å; F294-K450 HydrophobicContact CZ-CB 3.63Å; F294-K450 HydrophobicContact CZ-CG 4.13Å; A446-K450 WeakPolarHBondContact O-CB 3.17Å; A446-K450 PolarHBondContact O-N 3.34Å; G447-K450 PolarHBondContact O-N 2.96Å; K450-Q452 VanDerWaalsContact C-N 3.32Å; K450-Q452 PolarHBondContact O-N 3.44Å; K450-L453 PolarHBondContact O-N 3.24Å; K450-L454 WeakPolarHBondContact O-CG 3.41Å; K450-L454 PolarHBondContact O-N 3.3Å
451Q93.2Very high86.2Confident130 Ų13072.4 Ų72.461%0.60737%0.366SS*.Hα-helixtrans-64.6-33.4176.1-71.9174.3-6.700113.2G447 L448 Y449G447-Q451 WeakPolarHBondContact O-CG 3.4Å; G447-Q451 PolarHBondContact O-N 3.04Å; L448-Q451 WeakPolarHBondContact O-CB 3.4Å; L448-Q451 PolarHBondContact O-N 2.99Å; Y449-Q451 PolarHBondContact O-N 3.45Å
452Q92.2Very high85.5Confident82 Ų8276.4 Ų76.438%0.38339%0.385SS..Hα-helixtrans-82.6-15.5178.1-70.1-171-16.200114.2I371 L448 Y449 K450 P455I371-Q452 HydrophobicContact CD1-CB 3.68Å; I371-Q452 HydrophobicContact CG1-CB 4.18Å; L448-Q452 PolarHBondContact O-N 3.38Å; L448-Q452 VanDerWaalsContact O-N 3.16Å; Y449-Q452 PolarHBondContact O-N 3.16Å; K450-Q452 VanDerWaalsContact C-N 3.32Å; K450-Q452 PolarHBondContact O-N 3.44Å; Q452-P455 WeakPolarHBondContact O-CD 3.19Å
453L88.9Confident84.7Confident22 Ų2281.1 Ų81.112%0.11541%0.409CS..Hα-helixtrans-81-30.1171.9-69.2172.1000113I271 F294 I371 Y449 K450 W456I271-L453 HydrophobicContact CD1-CD1 3.59Å; F294-L453 HydrophobicContact CE1-CD1 3.94Å; F294-L453 HydrophobicContact CZ-CD1 4.17Å; I371-L453 HydrophobicContact CD1-CD2 4.09Å; Y449-L453 HydrophobicContact CD1-CD1 4.13Å; Y449-L453 HydrophobicContact CD2-CD1 4.28Å; Y449-L453 HydrophobicContact CD2-CG 4.16Å; Y449-L453 HydrophobicContact CE1-CD1 3.89Å; Y449-L453 HydrophobicContact CE2-CD1 3.99Å; Y449-L453 HydrophobicContact CE2-CD2 3.85Å; Y449-L453 HydrophobicContact CE2-CG 3.88Å; Y449-L453 HydrophobicContact CG-CD1 4.36Å; Y449-L453 WeakPolarHBondContact O-CG 3.22Å; Y449-L453 PolarHBondContact O-N 2.85Å; K450-L453 PolarHBondContact O-N 3.24Å; L453-W456 WeakPolarHBondContact O-CB 3.45Å; L453-W456 PolarHBondContact O-N 3.32Å
454L78.4Confident83.8Confident106 Ų10681.1 Ų81.156%0.55541%0.413SS*.G310 helixtrans-51.6-39.2-178.6-68.5172.4000115.4K450 W456 T457K450-L454 WeakPolarHBondContact O-CG 3.41Å; K450-L454 PolarHBondContact O-N 3.3Å; L454-W456 PolarHBondContact O-N 2.98Å; L454-W456 VanDerWaalsContact O-N 3.13Å; L454-T457 WeakPolarHBondContact CA-OG1 3.38Å; L454-T457 PolarHBondContact O-N 3.25Å; L454-T457 PolarHBondContact O-OG1 3.34Å
455P68Low82.7Confident98 Ų9881.3 Ų81.364%0.63641%0.408SS*.G310 helixtrans-64.7-9.8176-22.435.1000115.4Q452Q452-P455 WeakPolarHBondContact O-CD 3.19Å
456W57.6Low81.5Confident165 Ų16587.5 Ų87.563%0.62544%0.44SS*.G310 helixtrans-110.63.7-177.2-54.1102.1000113.1L453 L454L453-W456 WeakPolarHBondContact O-CB 3.45Å; L453-W456 PolarHBondContact O-N 3.32Å; L454-W456 PolarHBondContact O-N 2.98Å; L454-W456 VanDerWaalsContact O-N 3.13Å
457T56.8Low80.1Confident102 Ų10294.8 Ų94.863%0.62648%0.476SS*.  trans-112.614.2-175.750.40000114.7L454L454-T457 WeakPolarHBondContact CA-OG1 3.38Å; L454-T457 PolarHBondContact O-N 3.25Å; L454-T457 PolarHBondContact O-OG1 3.34Å
458E41.5Very low78.6Confident255 Ų255101.3 Ų101.3100%1.19250%0.497SS*.  trans-105.50171.7-69.1-162.8146.300112.8

Retrieved 458 of 458 residues in 996.8 ms (Link to these results)