A0A096NWV2_PAPAN Loading...

Neurexophilin

May be signaling molecules that resemble neuropeptides.

AlphaFold DB (A0A2K5MPT3), UniProt , Accession A0A096NWV2, Species PAPAN (Papio anubis, Olive baboon), Gene NXPH1, Length 271 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.5Very low49.3Very low227 Ų227161 Ų161100%1.11885%0.851SS**  01360-56.6-170.9-165.900107.3
2Q42.5Very low49.1Very low156 Ų156160.9 Ų160.973%0.72985%0.85SS**  cis-133.5137.4-17.6-74.5111.7-24.100105.6
3A50.9Low49.1Very low112 Ų112161.8 Ų161.893%0.92685%0.847SS**  55.240.263.800000114.6
4A56.3Low49.1Very low86 Ų86157.8 Ų157.871%0.71184%0.835SS**  trans-150.14.9179.300000117.5
5C50.9Low49Very low120 Ų120156.4 Ų156.481%0.81184%0.836SS**SBendtrans-1082.8-164-146.20000116.6
6W48.7Very low48.5Very low248 Ų248153.6 Ų153.694%0.93983%0.825SS**SBendtrans-111.14.3-171.6-80.724.3000115.3
7Y47Very low47.8Very low212 Ų212157.9 Ų157.983%0.83183%0.829SS**SBendtrans-102.80.7-174.5-103.4-80.9000116
8V49.7Very low47.2Very low129 Ų129157.8 Ų157.878%0.78283%0.829SS**SBendtrans-98.6-11.9-173.5-176.90000113.2L10V8-L10 VanDerWaalsContact C-N 3.33Å; V8-L10 PolarHBondContact O-N 3.01Å
9L47.6Very low46.5Very low178 Ų178155.9 Ų155.993%0.93282%0.824SS**THydrogen-bonded Turntrans-89.813.8-176-112.3148.2000114.6
10L52.5Low45.9Very low150 Ų150154.2 Ų154.279%0.78582%0.82SS**THydrogen-bonded Turntrans-124.310.8-172.2-114.8165.3000114.8V8V8-L10 VanDerWaalsContact C-N 3.33Å; V8-L10 PolarHBondContact O-N 3.01Å
11L53.7Low45.2Very low153 Ų153152.3 Ų152.380%0.80182%0.818SS**  trans-140.475.9-178.6-71.7174.8000112.2
12L46.5Very low44.7Very low160 Ų160145.4 Ų145.484%0.83880%0.797SS**  trans178124.9166.1-90.1149000103.9
13Q50Low44.3Very low173 Ų173144.8 Ų144.881%0.80880%0.799SS**  cis-151.4176.116.3-100.5-167.9-36.200112.2
14P49Very low43.1Very low105 Ų105146.2 Ų146.268%0.68279%0.79SS**  trans-109.6-176.9-149.643.2-39.2000117.1
15T47.2Very low41.9Very low137 Ų137147 Ų14784%0.8479%0.786SS**  trans-48.7119168.949.60000116.5
16V41.1Very low40.9Very low111 Ų111149.3 Ų149.367%0.67379%0.791SS**  trans-150.8126.2150.5-155.80000104
17Y36.7Very low39.9Very low227 Ų227141.4 Ų141.489%0.8979%0.786SS**  -156.7156.561.4-91.7-91.5000112.3
18L36.6Very low38.9Very low156 Ų156135.4 Ų135.482%0.81779%0.788SS**  trans-140.3141.7179-128.2175.8000108.7
19V34.6Very low37.9Very low122 Ų122138.8 Ų138.874%0.73979%0.793SS**  trans67.4135.9170.5-158.20000113
20T34.3Very low37Very low122 Ų122136.3 Ų136.375%0.74879%0.79SS**  cis-152.2172.242.4-29.40000106.9
21C31.8Very low35.8Very low114 Ų114137 Ų13777%0.7779%0.789SS**  cis-146.4170.317.6-39.70000112.8
22A31.4Very low34.5Very low83 Ų83135.9 Ų135.969%0.68678%0.783SS**  trans-89.5179147.100000108.6
23N33Very low33.6Very low142 Ų142137 Ų13776%0.75979%0.789SS**  cis177.2-177.146.1-148.3-3.3000111
24L26.3Very low32.5Very low142 Ų142137.8 Ų137.874%0.74379%0.79SS**  trans74.6143.2172.5-79.271.6000117.4
25T31Very low31.4Very low104 Ų104138.8 Ų138.864%0.63880%0.8SS**  cis162.1129.7-3437.10000107.1
26N29.8Very low30.2Very low168 Ų168135.3 Ų135.390%0.89879%0.791SS**  trans143.8139.5156-78.1-19.5000108.1
27G27.2Very low29.5Very low81 Ų81136.2 Ų136.284%0.83580%0.802SS**  cis126.48613.900000108.5
28G26.5Very low28.9Very low86 Ų86130 Ų13089%0.88779%0.791SS**  trans-169.5113.1-174.900000112.2
29K28Very low28.5Very low201 Ų201131.5 Ų131.587%0.87479%0.791SS**  trans-114.8130.4179.4-175.5-173-176.3-172.10107.7
30S29.1Very low28.2Very low125 Ų125130.9 Ų130.987%0.87479%0.793SS**  trans-152.4153.6164.6-164.90000110.5
31E27.8Very low27.8Very low164 Ų164131.4 Ų131.477%0.76680%0.796SS**  trans-103.9161.5-163-59.1-178.2110.700114
32L26.1Very low27.6Very low131 Ų131132.9 Ų132.969%0.68680%0.795SS**  trans48.6107.7134.3-173.173.4000119.3K34L32-K34 HydrophobicContact CD1-CG 4.09Å
33L28.5Very low27.4Very low183 Ų183137.5 Ų137.596%0.95880%0.8SS**  -137.4141.9129.7-83.3-175.2000111.2
34K26.1Very low27.2Very low189 Ų189138.2 Ų138.282%0.82280%0.798SS**  trans-96.4146-176.4-73174.1174.5172.80112.1L32L32-K34 HydrophobicContact CD1-CG 4.09Å
35S25.7Very low27.3Very low127 Ų127138.2 Ų138.289%0.88880%0.798SS**  trans-159.7142.9150.1-172.40000107.9
36G23.7Very low27.1Very low63 Ų63145 Ų14565%0.64981%0.812SS**  cis152.3101.4-2.900000111.6
37S25.3Very low26.9Very low130 Ų130142.7 Ų142.791%0.90980%0.804SS**  trans71.2152176.2-126.50000115.8
38S25.1Very low26.9Very low96 Ų96148.1 Ų148.167%0.67181%0.808SS**  cis-157.5172.19.2520000112.3
39K27.8Very low27Very low188 Ų188149.1 Ų149.182%0.81780%0.801SS**  trans106.990.7169.4-64.1176.9-179.6178.10114.9
40S28.1Very low27.4Very low110 Ų110143.3 Ų143.377%0.76980%0.798SS**  94.189.967.867.30000112.5L42S40-L42 PolarHBondContact O-N 3.06Å
41T26.3Very low27.8Very low132 Ų132145.9 Ų145.981%0.8179%0.793SS**  trans-69.4121.1169.5-54.70000110.5K43T41-K43 HydrophobicContact CG2-CG 4.49Å
42L26.7Very low28.4Very low145 Ų145146 Ų14676%0.75980%0.8SS**  trans-129.7116.9158.7-170.567.4000109.2S40S40-L42 PolarHBondContact O-N 3.06Å
43K28.2Very low28.9Very low181 Ų181147.9 Ų147.979%0.78781%0.809SS**  trans-78.9124.4176.2-61.8173.7178.8178.20108.4T41T41-K43 HydrophobicContact CG2-CG 4.49Å
44H28.2Very low29.4Very low156 Ų156144 Ų14472%0.72280%0.797SS**  trans-106.3115.1160.5-92.1-81.7000110
45I28.9Very low30.3Very low143 Ų143143.4 Ų143.473%0.73380%0.801SS**  trans-73.9120.5170-64.7159.5000107T47I45-T47 HydrophobicContact CG2-CG2 4.27Å
46W26.2Very low31Very low245 Ų245142.1 Ų142.193%0.92879%0.792SS**  trans-123.8104.5161.5-99.158.6000108.1
47T25.7Very low32.1Very low120 Ų120150.5 Ų150.574%0.73680%0.804SS**  trans-79.1133.7173370000110.7I45I45-T47 HydrophobicContact CG2-CG2 4.27Å
48E26.9Very low33Very low196 Ų196152.3 Ų152.392%0.91680%0.803SS**  trans-59.2126.9168.3-175.2175.4-149.900111.3
49S29.2Very low33.8Very low107 Ų107156.2 Ų156.275%0.74882%0.816SS**  trans-155.984.3166.7-150.50000111
50G35.5Very low34.3Very low78 Ų78152.2 Ų152.280%0.80481%0.811SS**  trans-80.5113.9167.600000110.3
51K37.7Very low34.7Very low180 Ų180156.1 Ų156.178%0.78382%0.817SS**  trans-143.5128.7161.4-69.3-166.8178.9-179.30110
52D39.7Very low35.1Very low167 Ų167155.6 Ų155.689%0.89381%0.814SS**  trans-64.6139.1-179.2-51.7-80.2000111.9
53L36.7Very low35.4Very low170 Ų170158.3 Ų158.389%0.8982%0.82SS**  trans-115.8105.3172.6-70.4176.3000109.6
54S39.5Very low35.6Very low101 Ų101161.9 Ų161.971%0.70683%0.829SS**  trans-80.2139.217950.70000112.5S56S54-S56 VanDerWaalsContact C-N 3.31Å; S54-S56 PolarHBondContact O-N 3.42Å
55I44.5Very low35.8Very low176 Ų176157.9 Ų157.990%0.90383%0.829SS**SBendtrans-77.778.4179.1-53.7171.7000108.9
56S41.4Very low35.9Very low101 Ų101160.2 Ų160.271%0.70683%0.834SS**  trans-150.916.8-176.6-49.30000115.6S54S54-S56 VanDerWaalsContact C-N 3.31Å; S54-S56 PolarHBondContact O-N 3.42Å
57R46.7Very low36.6Very low238 Ų238156.1 Ų156.190%0.89883%0.825SS**  trans-136.124.9-170-119177.3-171.9155.73.2116.7
58L43.2Very low36.9Very low168 Ų168158.5 Ų158.588%0.8883%0.833SS**SBendtrans-11616.5-168.9-111.5164.6000116.2
59L41.8Very low37.4Very low179 Ų179156.7 Ų156.794%0.93783%0.83SS**SBendtrans-140.453178.6-75.7177.6000113.8
60S38.3Very low37.7Very low103 Ų103158.4 Ų158.472%0.7284%0.836SS**  trans-155.453.9172.1670000113.7
61Q38Very low37.9Very low193 Ų193161.6 Ų161.690%0.90284%0.835SS**  trans-159.972.1168-118.8169.92400112.8
62T35.2Very low37.9Very low121 Ų121160.2 Ų160.274%0.74284%0.835SS**  trans-135.2113.9167.239.10000110.4
63F32.9Very low37.7Very low201 Ų201158 Ų15888%0.88282%0.824SS**  trans52.297.9161.9-56.2-75.8000119.6G65F63-G65 PolarHBondContact O-N 3Å
64R31.9Very low37.7Very low257 Ų257157 Ų15797%0.9782%0.818SS**  trans-82.696.4141.4-76.3-172.5-175.4-93.72.6108.3
65G31.7Very low37.5Very low71 Ų71161.7 Ų161.773%0.73282%0.82SS**PPolyproline II helixtrans-82.5150.1164.700000110.7F63F63-G65 PolarHBondContact O-N 3Å
66K32.1Very low37Very low192 Ų192163.7 Ų163.784%0.83582%0.818SS**PPolyproline II helixtrans-103.6144178.8-165.3171.7-177.8176.90109.7
67E40.1Very low36.9Very low159 Ų159165.5 Ų165.574%0.74382%0.82SS**PPolyproline II helixtrans-50.4148-167.8-52.9100.9-101.500116.4
68N32.9Very low36.7Very low170 Ų170160.2 Ų160.291%0.90981%0.814SS**  trans-168.8141.5137-89.6-29.3000110.1
69D36.2Very low36.8Very low159 Ų159157.3 Ų157.385%0.8581%0.805SS**  trans-65.2149.1-171.8-80.8-50.7000115.5
70T35.4Very low37.4Very low143 Ų143156.9 Ų156.988%0.87780%0.798SS**  -158.4138.41271.80000112
71D39.8Very low37.9Very low144 Ų144157.5 Ų157.577%0.7780%0.8SS**  trans-55.1139-174.4179.529.3000115.5
72L37.9Very low38.5Very low151 Ų151158 Ų15879%0.79180%0.795SS**  trans-161.185.1167.5-122.3159.4000110.1L74L72-L74 PolarHBondContact O-N 3.02Å
73D35Very low39.7Very low122 Ų122154.5 Ų154.565%0.65278%0.776SS**  trans-61.190.6176.9-177.830.5000112.4R75D73-R75 PolarHBondContact O-N 2.57Å
74L36.3Very low41.1Very low147 Ų147152.1 Ų152.177%0.7777%0.767SS**  trans-86.789.8166.7-93.2162.1000109.3L72 Y76L72-L74 PolarHBondContact O-N 3.02Å; L74-Y76 PolarHBondContact O-N 3.06Å
75R35.5Very low42.7Very low200 Ų200146.2 Ų146.276%0.75575%0.751SS**  trans-50.4111.8170.2-77.1-171.4170.1-160.9-4110.8D73 D77D73-R75 PolarHBondContact O-N 2.57Å; R75-D77 PolarHBondContact O-N 2.99Å
76Y34Very low44Very low219 Ų219147.5 Ų147.586%0.85974%0.741SS**  trans-8192.4170.8-130.1-91.2000107.9L74 T78L74-Y76 PolarHBondContact O-N 3.06Å; Y76-T78 PolarHBondContact O-N 3.48Å
77D40.9Very low45.5Very low139 Ų139143.3 Ų143.374%0.74373%0.727SS**PPolyproline II helixtrans-64118169.1-80.7-34.8000108.7R75 P79R75-D77 PolarHBondContact O-N 2.99Å; D77-P79 WeakPolarHBondContact O-CD 3.39Å
78T41Very low46.7Very low126 Ų126143.2 Ų143.277%0.77372%0.72SS**PPolyproline II helixtrans-64.9122.4176.8-51.20000108.7Y76 E80Y76-T78 PolarHBondContact O-N 3.48Å; T78-E80 PolarHBondContact O-N 3.05Å; T78-E80 VanDerWaalsContact O-N 3.14Å
79P46.7Very low48.1Very low108 Ų108139.3 Ų139.370%0.70170%0.699SS**PPolyproline II helixtrans-66.1118.2178.4-18.331.1000110.3D77D77-P79 WeakPolarHBondContact O-CD 3.39Å
80E53.3Low49.4Very low169 Ų169140.7 Ų140.779%0.7969%0.692SS**PPolyproline II helixtrans-48.9137.3165.6-75.6-83.6137.200109.8T78 Y82T78-E80 PolarHBondContact O-N 3.05Å; T78-E80 VanDerWaalsContact O-N 3.14Å; E80-Y82 PolarHBondContact O-N 2.6Å; E80-Y82 VanDerWaalsContact O-N 3.13Å
81P48.9Very low50.4Low117 Ų117137.4 Ų137.476%0.7667%0.669SS**  trans-67115.3176.527.8-32.5000109.5S83P81-S83 PolarHBondContact O-N 3.04Å
82Y49.8Very low51.1Low202 Ų202138.5 Ų138.579%0.79266%0.663SS**  trans-47.6133.5176.1-81.7-94.5000111.7E80E80-Y82 PolarHBondContact O-N 2.6Å; E80-Y82 VanDerWaalsContact O-N 3.13Å
83S62.2Low51.5Low48 Ų48137.6 Ų137.634%0.33666%0.658SS.*  trans-67.5141.4172.488.20000109.9P81 Q85 D86P81-S83 PolarHBondContact O-N 3.04Å; S83-Q85 PolarHBondContact O-N 2.92Å; S83-D86 WeakPolarHBondContact CB-OD2 3.46Å; S83-D86 PolarHBondContact O-N 2.73Å; S83-D86 VanDerWaalsContact OG-CG 3.28Å; S83-D86 PolarHBondContact OG-N 2.83Å; S83-D86 PolarHBondContact OG-OD2 2.04Å
84E61.3Low52.3Low151 Ų151135.6 Ų135.671%0.70665%0.654SS**Hα-helixtrans-62.2-28.5175.6-67.8-168.2145.900111.3L87 W88E84-L87 PolarHBondContact O-N 3.34Å; E84-W88 PolarHBondContact O-N 3.4Å; E84-W88 VanDerWaalsContact O-N 3.1Å
85Q65.1Low52.9Low134 Ų134133.6 Ų133.663%0.62665%0.648SS**Hα-helixtrans-54.5-52.3172.7-9574.515.300112.6S83 L87 W88 D89S83-Q85 PolarHBondContact O-N 2.92Å; Q85-L87 PolarHBondContact O-N 2.74Å; Q85-W88 PolarHBondContact O-N 2.96Å; Q85-W88 VanDerWaalsContact O-N 3.13Å; Q85-D89 PolarHBondContact O-N 3.04Å
86D60.2Low53.6Low98 Ų98131 Ų13152%0.52465%0.649SS.*Hα-helixtrans-61.2-34.1-177.1-64.8-59.7000112.2S83 W90S83-D86 WeakPolarHBondContact CB-OD2 3.46Å; S83-D86 PolarHBondContact O-N 2.73Å; S83-D86 VanDerWaalsContact OG-CG 3.28Å; S83-D86 PolarHBondContact OG-N 2.83Å; S83-D86 PolarHBondContact OG-OD2 2.04Å; D86-W90 WeakPolarHBondContact O-CB 3.33Å; D86-W90 PolarHBondContact O-N 2.8Å
87L63.5Low54.2Low104 Ų104128.2 Ų128.255%0.54565%0.648SS.*Hα-helixtrans-70.9-40.2178.8-155.9154.7000111.3E84 Q85 L91E84-L87 PolarHBondContact O-N 3.34Å; Q85-L87 PolarHBondContact O-N 2.74Å; L87-L91 HydrophobicContact CD2-CD1 3.92Å; L87-L91 WeakPolarHBondContact O-CG 3.48Å; L87-L91 PolarHBondContact O-N 2.91Å
88W64Low54.1Low157 Ų157128 Ų12860%0.59564%0.643SS**Hα-helixtrans-70.1-34173.5-73.6117.1000113.4E84 Q85 L91 R92E84-W88 PolarHBondContact O-N 3.4Å; E84-W88 VanDerWaalsContact O-N 3.1Å; Q85-W88 PolarHBondContact O-N 2.96Å; Q85-W88 VanDerWaalsContact O-N 3.13Å; W88-L91 HydrophobicContact CE3-CD1 3.79Å; W88-L91 HydrophobicContact CZ3-CD1 3.87Å; W88-L91 PolarHBondContact O-N 3.3Å; W88-R92 WeakPolarHBondContact O-CB 3.19Å; W88-R92 PolarHBondContact O-N 3.32Å
89D62.2Low54.1Low87 Ų87130 Ų13047%0.46564%0.644SS.*Hα-helixtrans-75.7-34.4178.3-72.6-19.6000112Q85 R92 N93Q85-D89 PolarHBondContact O-N 3.04Å; D89-R92 PolarHBondContact O-N 3.26Å; D89-R92 IonicContact OD1-NE 3.86Å; D89-R92 IonicContact OD1-NH2 3.79Å; D89-N93 WeakPolarHBondContact O-CB 3.21Å; D89-N93 PolarHBondContact O-N 2.85Å
90W63.4Low53.7Low188 Ų188130.7 Ų130.771%0.71265%0.648SS**Hα-helixtrans-61.6-44.4168.7-170.587.4000112.3D86 R92 N93 S94D86-W90 WeakPolarHBondContact O-CB 3.33Å; D86-W90 PolarHBondContact O-N 2.8Å; W90-R92 VanDerWaalsContact C-N 3.33Å; W90-R92 PolarHBondContact O-N 2.81Å; W90-N93 PolarHBondContact O-N 2.9Å; W90-S94 PolarHBondContact O-N 2.97Å
91L57.5Low53.3Low75 Ų75131.9 Ų131.939%0.39365%0.645SS.*Hα-helixtrans-61.3-40.2175.2-76.8168.7000112.1L87 W88 S94L87-L91 HydrophobicContact CD2-CD1 3.92Å; L87-L91 WeakPolarHBondContact O-CG 3.48Å; L87-L91 PolarHBondContact O-N 2.91Å; W88-L91 HydrophobicContact CE3-CD1 3.79Å; W88-L91 HydrophobicContact CZ3-CD1 3.87Å; W88-L91 PolarHBondContact O-N 3.3Å; L91-S94 PolarHBondContact O-N 2.85Å
92R54.3Low53.1Low167 Ų167132.4 Ų132.463%0.6365%0.648SS**Hα-helixtrans-69.7-39.1-179.9-156.2-178.5-50.3-147.26112.4W88 D89 W90 S94 T95W88-R92 WeakPolarHBondContact O-CB 3.19Å; W88-R92 PolarHBondContact O-N 3.32Å; D89-R92 PolarHBondContact O-N 3.26Å; D89-R92 IonicContact OD1-NE 3.86Å; D89-R92 IonicContact OD1-NH2 3.79Å; W90-R92 VanDerWaalsContact C-N 3.33Å; W90-R92 PolarHBondContact O-N 2.81Å; R92-S94 VanDerWaalsContact C-N 3.27Å; R92-S94 PolarHBondContact O-N 3.01Å; R92-T95 PolarHBondContact O-N 2.85Å; R92-T95 PolarHBondContact O-OG1 2.85Å
93N47Very low52.8Low131 Ų131133.4 Ų133.470%0.70165%0.651SS**Hα-helixtrans-70.2-24.8177.9-148.710.8000112.3D89 W90 T95D89-N93 WeakPolarHBondContact O-CB 3.21Å; D89-N93 PolarHBondContact O-N 2.85Å; W90-N93 PolarHBondContact O-N 2.9Å; N93-T95 VanDerWaalsContact C-N 3.32Å; N93-T95 PolarHBondContact O-N 3.02Å
94S50.7Low52.1Low80 Ų80135.4 Ų135.456%0.55967%0.67SS**THydrogen-bonded Turntrans-76.3-13.1175.8-162.80000114.2W90 L91 R92W90-S94 PolarHBondContact O-N 2.97Å; L91-S94 PolarHBondContact O-N 2.85Å; R92-S94 VanDerWaalsContact C-N 3.27Å; R92-S94 PolarHBondContact O-N 3.01Å
95T49.1Very low51.3Low106 Ų106137.8 Ų137.865%0.6568%0.678SS**SBendtrans-89.9-17.7-178.432.30000115.9R92 N93R92-T95 PolarHBondContact O-N 2.85Å; R92-T95 PolarHBondContact O-OG1 2.85Å; N93-T95 VanDerWaalsContact C-N 3.32Å; N93-T95 PolarHBondContact O-N 3.02Å
96D50.4Low50.5Low145 Ų145142.4 Ų142.478%0.77569%0.69SS**SBendtrans-109.36.8-166.1-140.113.6000115.6
97L45.8Very low50.5Low160 Ų160147 Ų14784%0.83870%0.7SS**  trans-122.834.6171.4-72.1178.3000112.8E99L97-E99 PolarHBondContact O-N 2.89Å; L97-E99 VanDerWaalsContact O-N 3.09Å
98Q39.3Very low49.7Very low135 Ų135147.8 Ų147.863%0.63171%0.711SS**  trans-82.184.6169.6-163.3164.4121.300110.5
99E42Very low49.3Very low169 Ų169147.3 Ų147.379%0.7972%0.719SS**  trans-41.7140.5157.1-102.1-169.114600109.6L97 R101L97-E99 PolarHBondContact O-N 2.89Å; L97-E99 VanDerWaalsContact O-N 3.09Å; E99-R101 VanDerWaalsContact C-N 3.31Å; E99-R101 PolarHBondContact O-N 2.89Å
100P38.4Very low49.1Very low121 Ų121147.1 Ų147.179%0.78672%0.721SS**  trans-65.992.3-175.926.9-34.3000110.1P102P100-P102 VanDerWaalsContact O-N 3.1Å
101R44.2Very low48.5Very low194 Ų194147 Ų14773%0.73273%0.725SS**  trans-43.4120.4175.8-75.1179.2170.3176.2-2.1108.1E99 R103E99-R101 VanDerWaalsContact C-N 3.31Å; E99-R101 PolarHBondContact O-N 2.89Å; R101-R103 PolarHBondContact O-N 2.89Å
102P44Very low48.2Very low128 Ų128150.4 Ų150.483%0.83175%0.749SS**  trans-60.3104.7-178.322.4-32.2000107.9P100 A104P100-P102 VanDerWaalsContact O-N 3.1Å; P102-A104 PolarHBondContact O-N 2.92Å
103R43.4Very low48Very low223 Ų223146 Ų14684%0.84276%0.756SS**  trans-46.7108.5-174.6-177-177.2-165.91676.1108R101 K105R101-R103 PolarHBondContact O-N 2.89Å; R103-K105 PolarHBondContact O-N 2.89Å
104A49Very low48.1Very low90 Ų90148.9 Ų148.974%0.74476%0.762SS**  trans-47.7111.1-175.100000108.2P102 R106P102-A104 PolarHBondContact O-N 2.92Å; A104-R106 PolarHBondContact O-N 2.85Å
105K43.7Very low47.9Very low202 Ų202155 Ų15588%0.87878%0.779SS**  trans-55.5111.7-175.2-84-178.2176.5174.90106.2R103 R107R103-K105 PolarHBondContact O-N 2.89Å; K105-R107 PolarHBondContact O-N 3.5Å
106R49.1Very low48.2Very low230 Ų230156.5 Ų156.587%0.86878%0.776SS**  trans-50.9116.8176.8-81.7-178.9170.4172-4.2106.3A104A104-R106 PolarHBondContact O-N 2.85Å
107R59.4Low48.6Very low194 Ų194155.7 Ų155.773%0.73277%0.766SS**  trans-48.3139.1173.7-63.5179.5178.2-149.6-7.8107.3K105 I109K105-R107 PolarHBondContact O-N 3.5Å; R107-I109 PolarHBondContact O-N 3.29Å
108P47.1Very low49.2Very low121 Ų121150.3 Ų150.379%0.78674%0.737SS**  trans-54.3115.1169.8-2131.7000107.5V110P108-V110 VanDerWaalsContact C-N 3.32Å; P108-V110 PolarHBondContact O-N 3.48Å
109I54.8Low50.6Low147 Ų147144.4 Ų144.475%0.75471%0.709SS**  trans-66.4100.8175.1-71172.8000105.8R107 K111R107-I109 PolarHBondContact O-N 3.29Å; I109-K111 VanDerWaalsContact C-N 3.3Å; I109-K111 PolarHBondContact O-N 3.41Å
110V58.5Low51.7Low83 Ų83139 Ų13950%0.50370%0.699SS.*  trans-64.998.4167.7-179.30000105.5P108 T112 Y261P108-V110 VanDerWaalsContact C-N 3.32Å; P108-V110 PolarHBondContact O-N 3.48Å; V110-T112 PolarHBondContact O-N 2.76Å; V110-Y261 HydrophobicContact CG2-CE2 4.2Å
111K50Low53.2Low185 Ų185134.5 Ų134.580%0.80467%0.667SS**  trans-56.6102.3-174.4-67.5-178.7178.7179.60109.9I109 G113I109-K111 VanDerWaalsContact C-N 3.3Å; I109-K111 PolarHBondContact O-N 3.41Å; K111-G113 PolarHBondContact O-N 3.09Å
112T52Low54.6Low147 Ų147126.4 Ų126.490%0.90264%0.644SS**THydrogen-bonded Turntrans-61112.1165.324.10000108.2V110V110-T112 PolarHBondContact O-N 2.76Å
113G49.3Very low56.6Low74 Ų74126.6 Ų126.676%0.76364%0.638SS**THydrogen-bonded Turntrans159.8-12.8-179.200000116.6K111K111-G113 PolarHBondContact O-N 3.09Å
114K49.1Very low59Low193 Ų193117.1 Ų117.184%0.83960%0.603SS**SBendtrans-139.2149.7166.6-62.9-170179.3-172.60109K116K114-K116 PolarHBondContact O-N 2.77Å; K114-K116 VanDerWaalsContact O-N 3.09Å
115F48Very low61.2Low208 Ų208118.9 Ų118.991%0.91260%0.595SS**  trans-23.6106.3-176.9-127.4-101.1000113K117F115-K117 VanDerWaalsContact C-N 3.34Å; F115-K117 PolarHBondContact O-N 2.71Å
116K54.8Low63.7Low137 Ų137110 Ų11060%0.59656%0.559SS**  trans-68.793.8-179.7-177.9-175178.1-179.40108.1K114 M118 Y261K114-K116 PolarHBondContact O-N 2.77Å; K114-K116 VanDerWaalsContact O-N 3.09Å; K116-M118 WeakPolarHBondContact O-CG 3.4Å; K116-M118 PolarHBondContact O-N 2.86Å; K116-Y261 WeakPolarHBondContact CE-OH 3.3Å
117K58.8Low66Low129 Ų129103 Ų10356%0.56154%0.539SS*.  trans-54.1108.6171.2-165.4-163.6176-154.30107.2F115 F119 G120 W121F115-K117 VanDerWaalsContact C-N 3.34Å; F115-K117 PolarHBondContact O-N 2.71Å; K117-F119 WeakPolarHBondContact CD-O 3.07Å; K117-F119 WeakPolarHBondContact CE-O 3.07Å; K117-F119 VanDerWaalsContact CG-O 3.32Å; K117-F119 WeakPolarHBondContact CG-O 3.47Å; K117-F119 PolarHBondContact NZ-O 2.87Å; K117-F119 PolarHBondContact O-N 2.9Å; K117-G120 PolarHBondContact NZ-O 2.95Å; K117-W121 PolarHBondContact NZ-O 2.85Å
118M59Low67.7Low47 Ų4794.7 Ų94.723%0.23251%0.509CS..SBendtrans-77-14.5-169.9-62.6-175.9-56.700113.1K116 D143 K233K116-M118 WeakPolarHBondContact O-CG 3.4Å; K116-M118 PolarHBondContact O-N 2.86Å; M118-D143 HydrophobicContact CE-CB 4.41Å; M118-D143 VanDerWaalsContact CE-CG 3.44Å; M118-D143 WeakPolarHBondContact CE-OD2 3.42Å; M118-K233 VanDerWaalsContact CE-NZ 3.28Å; M118-K233 VanDerWaalsContact SD-CE 3.52Å; M118-K233 PolarHBondContact SD-NZ 3.34Å
119F67.8Low70.1Confident10 Ų1096.2 Ų96.24%0.04450%0.503CS..  trans-120.2128.5177.7-59.5-75.2000109.2K117 I141 F149 F235 D258K117-F119 WeakPolarHBondContact CD-O 3.07Å; K117-F119 WeakPolarHBondContact CE-O 3.07Å; K117-F119 VanDerWaalsContact CG-O 3.32Å; K117-F119 WeakPolarHBondContact CG-O 3.47Å; K117-F119 PolarHBondContact NZ-O 2.87Å; K117-F119 PolarHBondContact O-N 2.9Å; F119-I141 HydrophobicContact CB-CD1 4.28Å; F119-I141 HydrophobicContact CB-CG2 4.47Å; F119-I141 HydrophobicContact CD1-CD1 3.5Å; F119-I141 VanDerWaalsContact CD1-CD1 3.5Å; F119-I141 HydrophobicContact CD2-CD1 3.6Å; F119-I141 HydrophobicContact CD2-CG1 4.03Å; F119-I141 HydrophobicContact CE1-CD1 3.54Å; F119-I141 HydrophobicContact CE2-CD1 3.66Å; F119-I141 HydrophobicContact CE2-CG1 4.09Å; F119-I141 HydrophobicContact CG-CD1 3.51Å; F119-I141 HydrophobicContact CG-CG1 4.33Å; F119-I141 HydrophobicContact CZ-CD1 3.62Å; F119-I141 HydrophobicContact CZ-CG1 4.44Å; F119-F149 HydrophobicContact CE1-CD2 4.3Å; F119-F149 HydrophobicContact CE1-CE1 4.38Å; F119-F149 AromaticContact CE1-CE2 3.94Å; F119-F149 HydrophobicContact CE1-CE2 3.94Å; F119-F149 AromaticContact CE1-CZ 3.97Å; F119-F149 HydrophobicContact CE1-CZ 3.97Å; F119-F149 HydrophobicContact CE2-CB 4.13Å; F119-F149 HydrophobicContact CE2-CD1 4.32Å; F119-F149 HydrophobicContact CE2-CD2 4.02Å; F119-F149 HydrophobicContact CE2-CE2 4.48Å; F119-F149 AromaticContact CE2-CG 3.9Å; F119-F149 HydrophobicContact CE2-CG 3.9Å; F119-F149 HydrophobicContact CZ-CB 4.28Å; F119-F149 AromaticContact CZ-CD1 3.67Å; F119-F149 HydrophobicContact CZ-CD1 3.67Å; F119-F149 AromaticContact CZ-CD2 3.54Å; F119-F149 HydrophobicContact CZ-CD2 3.54Å; F119-F149 AromaticContact CZ-CE1 3.74Å; F119-F149 HydrophobicContact CZ-CE1 3.74Å; F119-F149 AromaticContact CZ-CE2 3.59Å; F119-F149 HydrophobicContact CZ-CE2 3.59Å; F119-F149 AromaticContact CZ-CG 3.55Å; F119-F149 HydrophobicContact CZ-CG 3.55Å; F119-F149 AromaticContact CZ-CZ 3.68Å; F119-F149 HydrophobicContact CZ-CZ 3.68Å; F119-F235 HydrophobicContact CD1-CE2 4.5Å; F119-F235 HydrophobicContact CE1-CD2 4.49Å; F119-F235 AromaticContact CE1-CE2 3.43Å; F119-F235 HydrophobicContact CE1-CE2 3.43Å; F119-F235 VanDerWaalsContact CE1-CE2 3.43Å; F119-F235 AromaticContact CE1-CZ 3.59Å; F119-F235 HydrophobicContact CE1-CZ 3.59Å; F119-F235 HydrophobicContact CE2-CZ 4.16Å; F119-F235 HydrophobicContact CZ-CE1 4.11Å; F119-F235 AromaticContact CZ-CE2 3.61Å; F119-F235 HydrophobicContact CZ-CE2 3.61Å; F119-F235 AromaticContact CZ-CZ 3.22Å; F119-F235 HydrophobicContact CZ-CZ 3.22Å; F119-D258 WeakPolarHBondContact CA-OD2 3.25Å
120G64.3Low72Confident56 Ų5690.6 Ų90.658%0.57748%0.475SS*.SBendtrans-68.1-39.3178.400000111.7K117 D258K117-G120 PolarHBondContact NZ-O 2.95Å; G120-D258 WeakPolarHBondContact CA-OD1 3.43Å; G120-D258 VanDerWaalsContact N-CG 3.35Å; G120-D258 PolarHBondContact N-OD1 2.89Å; G120-D258 PolarHBondContact N-OD2 3.31Å; G120-D258 VanDerWaalsContact N-OD2 3.14Å
121W70.8Confident73.6Confident26 Ų2693.1 Ų93.110%0.09849%0.491CS..  trans-79164.7174.954.3-61000112.2K117 F124 I141 V151 I238 I240 P257 D258K117-W121 PolarHBondContact NZ-O 2.85Å; W121-F124 HydrophobicContact CE3-CB 4.42Å; W121-F124 HydrophobicContact CZ3-CB 4.5Å; W121-I141 HydrophobicContact CH2-CD1 4.15Å; W121-I141 HydrophobicContact CZ2-CD1 3.92Å; W121-V151 HydrophobicContact CH2-CG1 4.42Å; W121-I238 HydrophobicContact CH2-CD1 4.09Å; W121-I238 HydrophobicContact CZ2-CD1 3.73Å; W121-I238 HydrophobicContact CZ2-CG1 4Å; W121-I240 HydrophobicContact CH2-CD1 4.31Å; W121-I240 HydrophobicContact CZ3-CD1 3.98Å; W121-P257 HydrophobicContact CB-CB 4.04Å; W121-P257 VanDerWaalsContact CD1-CB 3.48Å; W121-P257 HydrophobicContact CD2-CB 4.09Å; W121-P257 HydrophobicContact CD2-CG 3.94Å; W121-P257 HydrophobicContact CE3-CG 4.4Å; W121-P257 HydrophobicContact CG-CB 3.64Å; W121-P257 HydrophobicContact CG-CG 4.03Å; W121-D258 VanDerWaalsContact CD1-CG 3.41Å; W121-D258 PolarHBondContact NE1-OD2 2.98Å
122G72.9Confident75.6Confident25 Ų2588.6 Ų88.626%0.25847%0.471SS..SBendtrans-138.7-61.3178.800000110.1I141G122-I141 PolarHBondContact O-N 2.9Å
123D87.7Confident77.6Confident131 Ų13181.8 Ų81.870%0.70143%0.429SS*.EExtended strand (participates in β ladder)trans-111.4132.2172.4-54.3-55.3000109.3G139D123-G139 CarbonylContact C-O 3.6Å; D123-G139 WeakPolarHBondContact CA-O 3.49Å
124F93.1Very high79.9Confident25 Ų2581.1 Ų81.111%0.1141%0.408CS..EExtended strand (participates in β ladder)trans-104.1142174173.1-101.2000109.5W121 I137 T138 G139 F153 I240 I242 V255W121-F124 HydrophobicContact CE3-CB 4.42Å; W121-F124 HydrophobicContact CZ3-CB 4.5Å; F124-I137 HydrophobicContact CD1-CG2 4.27Å; F124-I137 HydrophobicContact CE1-CG2 3.99Å; F124-T138 CarbonylContact O-C 3.56Å; F124-T138 WeakPolarHBondContact O-CA 3.35Å; F124-G139 PolarHBondContact N-O 2.92Å; F124-G139 PolarHBondContact O-N 2.82Å; F124-F153 HydrophobicContact CD1-CE1 4.36Å; F124-I240 HydrophobicContact CB-CD1 4.09Å; F124-I240 HydrophobicContact CD1-CD1 3.77Å; F124-I240 HydrophobicContact CD2-CD1 3.52Å; F124-I240 HydrophobicContact CE1-CD1 4.04Å; F124-I240 HydrophobicContact CE1-CG2 4.23Å; F124-I240 HydrophobicContact CE2-CD1 3.82Å; F124-I240 HydrophobicContact CG-CD1 3.49Å; F124-I240 VanDerWaalsContact CG-CD1 3.49Å; F124-I240 HydrophobicContact CZ-CD1 4.06Å; F124-I240 HydrophobicContact CZ-CG2 4.39Å; F124-I242 HydrophobicContact CE1-CD1 4.21Å; F124-I242 HydrophobicContact CZ-CD1 3.93Å; F124-V255 HydrophobicContact CE2-CB 4.47Å; F124-V255 HydrophobicContact CE2-CG1 4.32Å; F124-V255 HydrophobicContact CE2-CG2 4.44Å
125H94.6Very high82.2Confident126 Ų12672 Ų7258%0.58337%0.368SS*.EExtended strand (participates in β ladder)trans-142.3135.3177.9-175.980000110.1I137H125-I137 WeakPolarHBondContact CA-O 3.43Å
126S96.3Very high84.5Confident16 Ų1665 Ų6511%0.11234%0.34CS..EExtended strand (participates in β ladder)trans-146140.1171.6-178.20000110.5I137S126-I137 PolarHBondContact N-O 2.84Å; S126-I137 PolarHBondContact O-N 2.86Å
127N96.7Very high86.6Confident83 Ų8358.4 Ų58.444%0.44431%0.312SS..EExtended strand (participates in β ladder)trans-128.1127.8170.2179.2-120000109.4N134 L135 L136N127-N134 PolarHBondContact ND2-OD1 3.49Å; N127-L135 WeakPolarHBondContact CA-O 3.37Å; N127-L135 PolarHBondContact ND2-O 2.86Å; N127-L136 HydrophobicContact CB-CD1 4.05Å
128I97Very high88.4Confident20 Ų2055.2 Ų55.210%0.10330%0.303CS..EExtended strand (participates in β ladder)trans-126123.1176-60.5158000106.3L135 I242 F244 L251I128-L135 HydrophobicContact CB-CB 4.49Å; I128-L135 HydrophobicContact CD1-CD2 4.32Å; I128-L135 PolarHBondContact N-O 2.82Å; I128-L135 PolarHBondContact O-N 2.79Å; I128-I242 HydrophobicContact CD1-CG2 3.8Å; I128-F244 HydrophobicContact CB-CD2 3.98Å; I128-F244 HydrophobicContact CB-CE2 4.16Å; I128-F244 HydrophobicContact CD1-CB 4.44Å; I128-F244 HydrophobicContact CG2-CB 4.37Å; I128-F244 HydrophobicContact CG2-CD1 4.05Å; I128-F244 HydrophobicContact CG2-CD2 3.55Å; I128-F244 HydrophobicContact CG2-CE1 4.19Å; I128-F244 HydrophobicContact CG2-CE2 3.68Å; I128-F244 HydrophobicContact CG2-CG 3.74Å; I128-F244 HydrophobicContact CG2-CZ 4Å; I128-L251 HydrophobicContact CD1-CD2 3.92Å
129K96.4Very high90.1Very high153 Ų15353.1 Ų53.167%0.66529%0.294SS*.EExtended strand (participates in β ladder)trans-138.5127.4-171.8-175.3-179177.2-173.20111.2N134K129-N134 HydrophobicContact CG-CB 4.26Å
130T95.1Very high91.3Very high29 Ų2958.1 Ų58.118%0.17832%0.315CS..  trans-118.6-170.6169.872.80000110.1K132 L133 F244 D248 Y249T130-K132 VanDerWaalsContact C-N 3.34Å; T130-K132 PolarHBondContact OG1-N 2.89Å; T130-L133 PolarHBondContact N-O 2.84Å; T130-L133 PolarHBondContact OG1-N 3.06Å; T130-L133 PolarHBondContact OG1-O 2.84Å; T130-F244 HydrophobicContact CG2-CE1 3.56Å; T130-F244 HydrophobicContact CG2-CZ 3.7Å; T130-D248 WeakPolarHBondContact CB-OD1 3.18Å; T130-D248 WeakPolarHBondContact CB-OD2 3.17Å; T130-D248 VanDerWaalsContact OG1-CG 3.29Å; T130-D248 PolarHBondContact OG1-OD1 3.33Å; T130-D248 PolarHBondContact OG1-OD2 2.92Å; T130-D248 VanDerWaalsContact OG1-OD2 3.05Å; T130-Y249 HydrophobicContact CG2-CD2 3.92Å; T130-Y249 HydrophobicContact CG2-CG 4.34Å
131V91.5Very high92.6Very high136 Ų13656.5 Ų56.582%0.82429%0.293SS*.SBendtrans-75.2-31.1174.1-1790000110.2D248V131-D248 PolarHBondContact N-OD2 3.14Å
132K91.8Very high93.5Very high90 Ų9057.6 Ų57.639%0.39130%0.302SS..SBendtrans-98.5-21.4-174.9-61.3-64.4-175.9177.70114.7T130 G159 Q160 S246 T247 D248T130-K132 VanDerWaalsContact C-N 3.34Å; T130-K132 PolarHBondContact OG1-N 2.89Å; K132-G159 CarbonylContact O-C 3.19Å; K132-G159 WeakPolarHBondContact O-CA 3.36Å; K132-Q160 PolarHBondContact O-N 3.3Å; K132-S246 WeakPolarHBondContact CB-OG 3.39Å; K132-T247 WeakPolarHBondContact CB-OG1 3.28Å; K132-T247 WeakPolarHBondContact CG-OG1 3.34Å; K132-D248 HydrophobicContact CB-CB 4.44Å; K132-D248 HydrophobicContact CG-CB 3.93Å; K132-D248 WeakPolarHBondContact CG-OD2 3.02Å; K132-D248 PolarHBondContact N-OD2 2.89Å
133L94.5Very high94.3Very high3 Ų359.5 Ų59.52%0.01631%0.307CS..EExtended strand (participates in β ladder)trans-148.6135-179.1-176.864.7000112.3T130 V163 F244 S246T130-L133 PolarHBondContact N-O 2.84Å; T130-L133 PolarHBondContact OG1-N 3.06Å; T130-L133 PolarHBondContact OG1-O 2.84Å; L133-V163 HydrophobicContact CD2-CG1 3.87Å; L133-F244 HydrophobicContact CB-CE2 4.12Å; L133-F244 HydrophobicContact CB-CZ 3.7Å; L133-F244 HydrophobicContact CD2-CD2 4.09Å; L133-F244 HydrophobicContact CD2-CE1 4.27Å; L133-F244 HydrophobicContact CD2-CE2 3.62Å; L133-F244 HydrophobicContact CD2-CZ 3.72Å; L133-F244 HydrophobicContact CG-CE2 3.68Å; L133-F244 HydrophobicContact CG-CZ 3.78Å; L133-S246 WeakPolarHBondContact CB-OG 3.48Å
134N96.8Very high94.4Very high61 Ų6157 Ų5733%0.32629%0.291SS..EExtended strand (participates in β ladder)trans-114.2135.4169.2-176.828.3000109N127 K129 S157 T158N127-N134 PolarHBondContact ND2-OD1 3.49Å; K129-N134 HydrophobicContact CG-CB 4.26Å; N134-S157 CarbonylContact O-C 3.47Å; N134-S157 WeakPolarHBondContact O-CA 3.28Å; N134-T158 PolarHBondContact N-O 2.86Å; N134-T158 PolarHBondContact O-N 3.18Å
135L97.6Very high94.1Very high0 Ų058.8 Ų58.80%032%0.316CS..EExtended strand (participates in β ladder)trans-129.6126.5177.7173.560.3000109.6N127 I128 I137 H155 V163 I242 F244N127-L135 WeakPolarHBondContact CA-O 3.37Å; N127-L135 PolarHBondContact ND2-O 2.86Å; I128-L135 HydrophobicContact CB-CB 4.49Å; I128-L135 HydrophobicContact CD1-CD2 4.32Å; I128-L135 PolarHBondContact N-O 2.82Å; I128-L135 PolarHBondContact O-N 2.79Å; L135-I137 HydrophobicContact CD1-CG1 3.98Å; L135-I137 HydrophobicContact CD2-CD1 3.93Å; L135-I137 HydrophobicContact CD2-CG1 4.27Å; L135-I137 HydrophobicContact CG-CD1 4.14Å; L135-I137 HydrophobicContact CG-CG1 3.96Å; L135-H155 HydrophobicContact CD1-CB 4.09Å; L135-V163 HydrophobicContact CB-CG1 4.38Å; L135-V163 HydrophobicContact CD1-CB 4.13Å; L135-V163 HydrophobicContact CD1-CG1 4.12Å; L135-V163 HydrophobicContact CD1-CG2 4.14Å; L135-V163 HydrophobicContact CD2-CB 3.99Å; L135-V163 HydrophobicContact CD2-CG1 3.8Å; L135-V163 HydrophobicContact CG-CG1 4.32Å; L135-I242 HydrophobicContact CD2-CG2 4.26Å; L135-F244 HydrophobicContact CB-CD2 3.88Å; L135-F244 HydrophobicContact CB-CE2 3.88Å; L135-F244 HydrophobicContact CD2-CD2 3.85Å
136L97.9Very high93.8Very high61 Ų6158.5 Ų58.532%0.31932%0.319SS..EExtended strand (participates in β ladder)trans-120.8122.8173.9-17368.8000109.1N127 H155 N156N127-L136 HydrophobicContact CB-CD1 4.05Å; L136-H155 CarbonylContact O-C 3.6Å; L136-H155 WeakPolarHBondContact O-CA 3.17Å; L136-N156 PolarHBondContact N-O 2.87Å; L136-N156 PolarHBondContact O-N 2.81Å
137I97.8Very high93.3Very high0 Ų058.7 Ų58.70%032%0.323CS..EExtended strand (participates in β ladder)trans-118.8132.1-179.9-55.1161.3000108.9F124 H125 S126 L135 F153 H155 V165 I242F124-I137 HydrophobicContact CD1-CG2 4.27Å; F124-I137 HydrophobicContact CE1-CG2 3.99Å; H125-I137 WeakPolarHBondContact CA-O 3.43Å; S126-I137 PolarHBondContact N-O 2.84Å; S126-I137 PolarHBondContact O-N 2.86Å; L135-I137 HydrophobicContact CD1-CG1 3.98Å; L135-I137 HydrophobicContact CD2-CD1 3.93Å; L135-I137 HydrophobicContact CD2-CG1 4.27Å; L135-I137 HydrophobicContact CG-CD1 4.14Å; L135-I137 HydrophobicContact CG-CG1 3.96Å; I137-F153 HydrophobicContact CG2-CD1 4.3Å; I137-H155 HydrophobicContact CB-CB 4.42Å; I137-H155 HydrophobicContact CG1-CB 3.89Å; I137-V165 HydrophobicContact CD1-CG2 3.55Å; I137-V165 HydrophobicContact CG1-CG2 3.89Å; I137-V165 HydrophobicContact CG2-CG1 4.32Å; I137-V165 HydrophobicContact CG2-CG2 4.29Å; I137-I242 HydrophobicContact CD1-CB 4.47Å; I137-I242 HydrophobicContact CD1-CD1 3.65Å; I137-I242 HydrophobicContact CD1-CG1 3.87Å; I137-I242 HydrophobicContact CD1-CG2 3.73Å
138T96.9Very high93Very high61 Ų6156 Ų5637%0.37431%0.31SS..EExtended strand (participates in β ladder)trans-122.8132.9163.857.10000109.7F124 F153 R154F124-T138 CarbonylContact O-C 3.56Å; F124-T138 WeakPolarHBondContact O-CA 3.35Å; T138-F153 WeakPolarHBondContact O-CA 3.42Å; T138-R154 PolarHBondContact N-O 2.82Å; T138-R154 PolarHBondContact O-N 2.73Å
139G95.4Very high92.7Very high4 Ų455.1 Ų55.14%0.04131%0.305CS..EExtended strand (participates in β ladder)trans-119144.9174.900000110.9D123 F124 Y152D123-G139 CarbonylContact C-O 3.6Å; D123-G139 WeakPolarHBondContact CA-O 3.49Å; F124-G139 PolarHBondContact N-O 2.92Å; F124-G139 PolarHBondContact O-N 2.82Å; G139-Y152 CarbonylContact C-O 3.38Å; G139-Y152 VanDerWaalsContact CA-O 3.24Å; G139-Y152 WeakPolarHBondContact CA-O 3.44Å
140K93.3Very high92.6Very high115 Ų11547.9 Ų47.950%0.527%0.274SS..EExtended strand (participates in β ladder)trans-137.4136.3173.4179.3173179.3176.50110.6V142 V151 Y152K140-V142 HydrophobicContact CG-CG2 4.49Å; K140-V151 WeakPolarHBondContact O-CA 3.5Å; K140-Y152 PolarHBondContact N-O 2.99Å; K140-Y152 PolarHBondContact O-N 3.17Å
141I90.9Very high92.5Very high21 Ų2146.5 Ų46.511%0.10827%0.266CS..EExtended strand (participates in β ladder)trans-101.8139.1175.4-163.9152.6000111.8F119 W121 G122 F149 V151F119-I141 HydrophobicContact CB-CD1 4.28Å; F119-I141 HydrophobicContact CB-CG2 4.47Å; F119-I141 HydrophobicContact CD1-CD1 3.5Å; F119-I141 VanDerWaalsContact CD1-CD1 3.5Å; F119-I141 HydrophobicContact CD2-CD1 3.6Å; F119-I141 HydrophobicContact CD2-CG1 4.03Å; F119-I141 HydrophobicContact CE1-CD1 3.54Å; F119-I141 HydrophobicContact CE2-CD1 3.66Å; F119-I141 HydrophobicContact CE2-CG1 4.09Å; F119-I141 HydrophobicContact CG-CD1 3.51Å; F119-I141 HydrophobicContact CG-CG1 4.33Å; F119-I141 HydrophobicContact CZ-CD1 3.62Å; F119-I141 HydrophobicContact CZ-CG1 4.44Å; W121-I141 HydrophobicContact CH2-CD1 4.15Å; W121-I141 HydrophobicContact CZ2-CD1 3.92Å; G122-I141 PolarHBondContact O-N 2.9Å; I141-F149 HydrophobicContact CD1-CD2 3.62Å; I141-F149 HydrophobicContact CD1-CE2 3.72Å; I141-F149 HydrophobicContact CG1-CD2 3.81Å; I141-F149 HydrophobicContact CG1-CE2 4.37Å; I141-V151 HydrophobicContact CD1-CG2 4.03Å; I141-V151 HydrophobicContact CG1-CG2 4.15Å
142V90.4Very high92.7Very high49 Ų4944.6 Ų44.630%0.29724%0.244SC..EExtended strand (participates in β ladder)trans-133.8116.3177.7-179.90000108.7K140 F149 S150 Y152K140-V142 HydrophobicContact CG-CG2 4.49Å; V142-F149 CarbonylContact O-C 3.55Å; V142-F149 VanDerWaalsContact O-CA 3.23Å; V142-F149 WeakPolarHBondContact O-CA 3.4Å; V142-F149 WeakPolarHBondContact O-CB 3.31Å; V142-S150 PolarHBondContact N-O 3.41Å; V142-S150 PolarHBondContact O-N 3.13Å; V142-Y152 HydrophobicContact CB-CE2 4.09Å; V142-Y152 HydrophobicContact CG2-CD2 4.09Å; V142-Y152 HydrophobicContact CG2-CE2 3.74Å
143D88.8Confident93Very high66 Ų6640.5 Ų40.535%0.35323%0.226SC..EExtended strand (participates in β ladder)trans-82.8128.3171.5179.318.6000109.5M118 G145M118-D143 HydrophobicContact CE-CB 4.41Å; M118-D143 VanDerWaalsContact CE-CG 3.44Å; M118-D143 WeakPolarHBondContact CE-OD2 3.42Å; D143-G145 PolarHBondContact OD1-N 3.24Å
144H89.6Confident93.2Very high79 Ų7945.1 Ų45.137%0.36624%0.243SC..  trans-88.3-7.2179.9-61.6-63.3000112.6N146 T148 S150H144-N146 WeakPolarHBondContact CB-OD1 3.35Å; H144-N146 PolarHBondContact O-N 2.96Å; H144-T148 WeakPolarHBondContact CB-O 3.33Å; H144-T148 PolarHBondContact CD2-OG1 3.44Å; H144-T148 PolarHBondContact N-O 3.5Å; H144-T148 VanDerWaalsContact N-O 3.1Å; H144-S150 WeakPolarHBondContact NE2-CB 3.43Å; H144-S150 PolarHBondContact NE2-N 3.45Å; H144-S150 PolarHBondContact NE2-OG 3.18Å
145G86.8Confident93.2Very high62 Ų6242.8 Ų42.864%0.63923%0.231SC*.SBendtrans73.2-21.5179.200000115.1D143 G147D143-G145 PolarHBondContact OD1-N 3.24Å; G145-G147 PolarHBondContact O-N 3.31Å
146N88.4Confident93.1Very high120 Ų12045.1 Ų45.164%0.64224%0.243SC*.SBendtrans-75.90.617566.92.2000114.4H144 T148H144-N146 WeakPolarHBondContact CB-OD1 3.35Å; H144-N146 PolarHBondContact O-N 2.96Å; N146-T148 PolarHBondContact OD1-N 3.01Å; N146-T148 PolarHBondContact OD1-OG1 2.96Å
147G86.3Confident93.1Very high19 Ų1942.4 Ų42.420%0.19623%0.229CC..SBendtrans101.6-4.2-175.600000115.2G145 K233G145-G147 PolarHBondContact O-N 3.31Å; G147-K233 WeakPolarHBondContact O-CB 3.39Å; G147-K233 VanDerWaalsContact O-CG 3.25Å; G147-K233 WeakPolarHBondContact O-CG 3.49Å; G147-K233 PolarHBondContact O-N 3.13Å
148T90.3Very high93Very high28 Ų2844.5 Ų44.517%0.17224%0.242CC..EExtended strand (participates in β ladder)trans-110164.5167.771.60000111.5H144 N146 C231H144-T148 WeakPolarHBondContact CB-O 3.33Å; H144-T148 PolarHBondContact CD2-OG1 3.44Å; H144-T148 PolarHBondContact N-O 3.5Å; H144-T148 VanDerWaalsContact N-O 3.1Å; N146-T148 PolarHBondContact OD1-N 3.01Å; N146-T148 PolarHBondContact OD1-OG1 2.96Å; T148-C231 CarbonylContact C-O 3.54Å; T148-C231 WeakPolarHBondContact CA-O 3.41Å; T148-C231 VanDerWaalsContact CB-O 3.3Å; T148-C231 WeakPolarHBondContact CB-O 3.37Å
149F91.3Very high92.8Very high1 Ų142.1 Ų42.10%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-142.5151.5171.768.2-79.7000109.1F119 I141 V142 V151 C231 F235 I238F119-F149 HydrophobicContact CE1-CD2 4.3Å; F119-F149 HydrophobicContact CE1-CE1 4.38Å; F119-F149 AromaticContact CE1-CE2 3.94Å; F119-F149 HydrophobicContact CE1-CE2 3.94Å; F119-F149 AromaticContact CE1-CZ 3.97Å; F119-F149 HydrophobicContact CE1-CZ 3.97Å; F119-F149 HydrophobicContact CE2-CB 4.13Å; F119-F149 HydrophobicContact CE2-CD1 4.32Å; F119-F149 HydrophobicContact CE2-CD2 4.02Å; F119-F149 HydrophobicContact CE2-CE2 4.48Å; F119-F149 AromaticContact CE2-CG 3.9Å; F119-F149 HydrophobicContact CE2-CG 3.9Å; F119-F149 HydrophobicContact CZ-CB 4.28Å; F119-F149 AromaticContact CZ-CD1 3.67Å; F119-F149 HydrophobicContact CZ-CD1 3.67Å; F119-F149 AromaticContact CZ-CD2 3.54Å; F119-F149 HydrophobicContact CZ-CD2 3.54Å; F119-F149 AromaticContact CZ-CE1 3.74Å; F119-F149 HydrophobicContact CZ-CE1 3.74Å; F119-F149 AromaticContact CZ-CE2 3.59Å; F119-F149 HydrophobicContact CZ-CE2 3.59Å; F119-F149 AromaticContact CZ-CG 3.55Å; F119-F149 HydrophobicContact CZ-CG 3.55Å; F119-F149 AromaticContact CZ-CZ 3.68Å; F119-F149 HydrophobicContact CZ-CZ 3.68Å; I141-F149 HydrophobicContact CD1-CD2 3.62Å; I141-F149 HydrophobicContact CD1-CE2 3.72Å; I141-F149 HydrophobicContact CG1-CD2 3.81Å; I141-F149 HydrophobicContact CG1-CE2 4.37Å; V142-F149 CarbonylContact O-C 3.55Å; V142-F149 VanDerWaalsContact O-CA 3.23Å; V142-F149 WeakPolarHBondContact O-CA 3.4Å; V142-F149 WeakPolarHBondContact O-CB 3.31Å; F149-V151 HydrophobicContact CD2-CG2 3.89Å; F149-V151 HydrophobicContact CE2-CG2 3.64Å; F149-C231 HydrophobicContact CD1-CB 3.68Å; F149-C231 WeakPolarHBondContact CD1-O 3.05Å; F149-C231 HydrophobicContact CD2-CB 4.15Å; F149-C231 HydrophobicContact CE1-CB 3.14Å; F149-C231 HydrophobicContact CE2-CB 3.7Å; F149-C231 HydrophobicContact CG-CB 4.17Å; F149-C231 HydrophobicContact CZ-CB 3.18Å; F149-C231 PolarHBondContact N-O 2.72Å; F149-C231 PolarHBondContact O-N 2.87Å; F149-F235 HydrophobicContact CD1-CD1 4.02Å; F149-F235 AromaticContact CD1-CE1 3.52Å; F149-F235 HydrophobicContact CD1-CE1 3.52Å; F149-F235 AromaticContact CD1-CZ 3.98Å; F149-F235 HydrophobicContact CD1-CZ 3.98Å; F149-F235 AromaticContact CE1-CD1 3.37Å; F149-F235 HydrophobicContact CE1-CD1 3.37Å; F149-F235 HydrophobicContact CE1-CD2 4.1Å; F149-F235 AromaticContact CE1-CE1 3.24Å; F149-F235 HydrophobicContact CE1-CE1 3.24Å; F149-F235 HydrophobicContact CE1-CE2 4.02Å; F149-F235 AromaticContact CE1-CG 3.82Å; F149-F235 HydrophobicContact CE1-CG 3.82Å; F149-F235 AromaticContact CE1-CZ 3.62Å; F149-F235 HydrophobicContact CE1-CZ 3.62Å; F149-F235 HydrophobicContact CZ-CD1 4.34Å; F149-F235 HydrophobicContact CZ-CD2 4.35Å; F149-F235 HydrophobicContact CZ-CE1 4.26Å; F149-F235 HydrophobicContact CZ-CE2 4.3Å; F149-F235 HydrophobicContact CZ-CG 4.39Å; F149-F235 HydrophobicContact CZ-CZ 4.27Å; F149-I238 HydrophobicContact CE2-CD1 3.7Å; F149-I238 HydrophobicContact CZ-CD1 3.84Å
150S92.9Very high92.5Very high1 Ų144.9 Ų44.91%0.00724%0.242CC..EExtended strand (participates in β ladder)trans-107.7145.1172.3-67.60000111.6V142 H144 Y152 W229V142-S150 PolarHBondContact N-O 3.41Å; V142-S150 PolarHBondContact O-N 3.13Å; H144-S150 WeakPolarHBondContact NE2-CB 3.43Å; H144-S150 PolarHBondContact NE2-N 3.45Å; H144-S150 PolarHBondContact NE2-OG 3.18Å; S150-Y152 WeakPolarHBondContact CB-OH 3.32Å; S150-W229 CarbonylContact C-O 3.54Å; S150-W229 WeakPolarHBondContact CA-O 3.3Å; S150-W229 WeakPolarHBondContact CB-O 2.96Å
151V94.2Very high92.4Very high0 Ų040.6 Ų40.60%023%0.23CC..EExtended strand (participates in β ladder)trans-118.5117.8170-172.80000108.3W121 K140 I141 F149 F153 L167 W229 I238W121-V151 HydrophobicContact CH2-CG1 4.42Å; K140-V151 WeakPolarHBondContact O-CA 3.5Å; I141-V151 HydrophobicContact CD1-CG2 4.03Å; I141-V151 HydrophobicContact CG1-CG2 4.15Å; F149-V151 HydrophobicContact CD2-CG2 3.89Å; F149-V151 HydrophobicContact CE2-CG2 3.64Å; V151-F153 HydrophobicContact CG1-CD2 4.39Å; V151-F153 HydrophobicContact CG1-CE1 4.27Å; V151-F153 HydrophobicContact CG1-CE2 3.76Å; V151-F153 HydrophobicContact CG1-CZ 3.69Å; V151-L167 HydrophobicContact CB-CD1 4.09Å; V151-L167 HydrophobicContact CG1-CD2 4.42Å; V151-L167 HydrophobicContact CG2-CD1 3.96Å; V151-W229 HydrophobicContact CB-CB 4.36Å; V151-W229 PolarHBondContact N-O 3.19Å; V151-W229 PolarHBondContact O-N 3.27Å; V151-I238 HydrophobicContact CG2-CD1 4.28Å
152Y95.9Very high92.5Very high96 Ų9643.4 Ų43.438%0.37625%0.245SC..EExtended strand (participates in β ladder)trans-99.1120.9178.8-58.3-78.5000109.2G139 K140 V142 S150 V227 S228G139-Y152 CarbonylContact C-O 3.38Å; G139-Y152 VanDerWaalsContact CA-O 3.24Å; G139-Y152 WeakPolarHBondContact CA-O 3.44Å; K140-Y152 PolarHBondContact N-O 2.99Å; K140-Y152 PolarHBondContact O-N 3.17Å; V142-Y152 HydrophobicContact CB-CE2 4.09Å; V142-Y152 HydrophobicContact CG2-CD2 4.09Å; V142-Y152 HydrophobicContact CG2-CE2 3.74Å; S150-Y152 WeakPolarHBondContact CB-OH 3.32Å; Y152-V227 CarbonylContact C-O 3.5Å; Y152-V227 WeakPolarHBondContact CA-O 3.21Å; Y152-S228 VanDerWaalsContact CE1-OG 3.28Å; Y152-S228 WeakPolarHBondContact CE1-OG 3.34Å
153F97.4Very high92.7Very high4 Ų442.4 Ų42.42%0.01824%0.239CC..EExtended strand (participates in β ladder)trans-103.8133.8166.7-66.5-68.5000110F124 I137 T138 V151 V165 L167 H226 V227 W229 I240F124-F153 HydrophobicContact CD1-CE1 4.36Å; I137-F153 HydrophobicContact CG2-CD1 4.3Å; T138-F153 WeakPolarHBondContact O-CA 3.42Å; V151-F153 HydrophobicContact CG1-CD2 4.39Å; V151-F153 HydrophobicContact CG1-CE1 4.27Å; V151-F153 HydrophobicContact CG1-CE2 3.76Å; V151-F153 HydrophobicContact CG1-CZ 3.69Å; F153-V165 HydrophobicContact CD1-CG1 3.91Å; F153-V165 HydrophobicContact CD2-CG1 4.24Å; F153-V165 HydrophobicContact CE1-CG1 4.12Å; F153-V165 HydrophobicContact CE2-CG1 4.43Å; F153-V165 HydrophobicContact CG-CG1 3.98Å; F153-V165 HydrophobicContact CZ-CG1 4.37Å; F153-L167 HydrophobicContact CE2-CD2 3.66Å; F153-L167 HydrophobicContact CE2-CG 3.99Å; F153-L167 HydrophobicContact CZ-CD2 3.68Å; F153-H226 CarbonylContact O-C 3.58Å; F153-H226 WeakPolarHBondContact O-CA 3.5Å; F153-V227 PolarHBondContact N-O 2.89Å; F153-V227 PolarHBondContact O-N 3.45Å; F153-W229 AromaticContact CD2-CD1 3.84Å; F153-W229 AromaticContact CD2-NE1 4Å; F153-I240 HydrophobicContact CE1-CD1 4.11Å; F153-I240 HydrophobicContact CE1-CG1 4.38Å; F153-I240 HydrophobicContact CE1-CG2 3.97Å; F153-I240 HydrophobicContact CZ-CD1 4.23Å; F153-I240 HydrophobicContact CZ-CG1 4.05Å; F153-I240 HydrophobicContact CZ-CG2 3.92Å
154R97.3Very high93Very high99 Ų9941.2 Ų41.237%0.37424%0.236SC..EExtended strand (participates in β ladder)trans-115.9127.7159.4-179.8-176.5-177.7-177.43.8107.3T138 S225 H226T138-R154 PolarHBondContact N-O 2.82Å; T138-R154 PolarHBondContact O-N 2.73Å; R154-S225 CarbonylContact C-O 3.5Å; R154-S225 VanDerWaalsContact CA-O 3.31Å; R154-S225 WeakPolarHBondContact CA-O 3.2Å; R154-H226 WeakPolarHBondContact CD-CE1 3.42Å; R154-H226 PolarHBondContact NE-CE1 3.1Å
155H97.1Very high93.2Very high13 Ų1338.1 Ų38.16%0.0622%0.223CC..EExtended strand (participates in β ladder)trans-128.9139.516972.2-104000111.7L135 L136 I137 V165 S225L135-H155 HydrophobicContact CD1-CB 4.09Å; L136-H155 CarbonylContact O-C 3.6Å; L136-H155 WeakPolarHBondContact O-CA 3.17Å; I137-H155 HydrophobicContact CB-CB 4.42Å; I137-H155 HydrophobicContact CG1-CB 3.89Å; H155-V165 HydrophobicContact CB-CG2 4.5Å; H155-S225 WeakPolarHBondContact CE1-CB 3.39Å; H155-S225 PolarHBondContact CE1-OG 3.1Å; H155-S225 VanDerWaalsContact CE1-OG 3.23Å; H155-S225 PolarHBondContact N-O 2.94Å; H155-S225 VanDerWaalsContact NE2-CB 3.35Å; H155-S225 WeakPolarHBondContact NE2-CB 3.31Å; H155-S225 PolarHBondContact O-N 3.05Å
156N97Very high93.6Very high48 Ų4836.2 Ų36.226%0.25720%0.199SC..EExtended strand (participates in β ladder)trans-118.6124.6173.4-51.2-55000107.5L136 T223 Q224L136-N156 PolarHBondContact N-O 2.87Å; L136-N156 PolarHBondContact O-N 2.81Å; N156-T223 CarbonylContact C-O 3.6Å; N156-T223 VanDerWaalsContact CA-O 3.31Å; N156-T223 WeakPolarHBondContact CA-O 3.4Å; N156-Q224 WeakPolarHBondContact OD1-CG 3.11Å; N156-Q224 PolarHBondContact OD1-OE1 3.08Å
157S96.6Very high93.8Very high5 Ų530.7 Ų30.74%0.03517%0.17CC..EExtended strand (participates in β ladder)trans-115.4152.317072.60000111.5N134 Q222 T223N134-S157 CarbonylContact O-C 3.47Å; N134-S157 WeakPolarHBondContact O-CA 3.28Å; S157-Q222 WeakPolarHBondContact O-CA 3.43Å; S157-T223 PolarHBondContact N-O 2.68Å; S157-T223 PolarHBondContact O-N 2.93Å; S157-T223 WeakPolarHBondContact OG-CB 3.34Å
158T95.3Very high94Very high43 Ų4330.5 Ų30.526%0.26417%0.165SC..EExtended strand (participates in β ladder)trans-147.5120.8176.7-67.80000109.6N134 Q220 E221 Q222N134-T158 PolarHBondContact N-O 2.86Å; N134-T158 PolarHBondContact O-N 3.18Å; T158-Q220 HydrophobicContact CG2-CG 4.26Å; T158-E221 CarbonylContact C-O 3.47Å; T158-E221 VanDerWaalsContact CA-O 3.28Å; T158-E221 WeakPolarHBondContact CA-O 3.5Å; T158-Q222 HydrophobicContact CG2-CG 4.17Å; T158-Q222 PolarHBondContact OG1-NE2 3.03Å
159G92.9Very high93.9Very high11 Ų1130.3 Ų30.311%0.11316%0.164CC..EExtended strand (participates in β ladder)trans140-139.8-179.100000113K132 E221K132-G159 CarbonylContact O-C 3.19Å; K132-G159 WeakPolarHBondContact O-CA 3.36Å; G159-E221 PolarHBondContact N-O 3.36Å; G159-E221 WeakPolarHBondContact O-CB 3.38Å; G159-E221 PolarHBondContact O-N 2.9Å
160Q90.6Very high93.7Very high63 Ų6332 Ų3229%0.29418%0.175SC..SBendtrans-126120.2176.9-66.1176.43.600110.2K132 Y219 S246 T247K132-Q160 PolarHBondContact O-N 3.3Å; Q160-Y219 WeakPolarHBondContact CG-O 3.26Å; Q160-Y219 PolarHBondContact NE2-O 3.19Å; Q160-S246 PolarHBondContact O-OG 2.85Å; Q160-T247 HydrophobicContact CB-CG2 4.32Å
161G91.4Very high93.3Very high24 Ų2437.7 Ų37.725%0.24721%0.21CC..EExtended strand (participates in β ladder)trans143.1170.717400000114.6Y245G161-Y245 CarbonylContact C-O 3.5Å; G161-Y245 WeakPolarHBondContact CA-O 3.4Å
162N92.6Very high93Very high81 Ų8139.8 Ų39.843%0.43322%0.219SC..EExtended strand (participates in β ladder)trans-95140.6-179.5-68.6-37.4000110.9Y245N162-Y245 PolarHBondContact N-O 3.42Å; N162-Y245 PolarHBondContact O-N 3.02Å
163V94.6Very high92.6Very high28 Ų2840 Ų4017%0.1723%0.226CC..EExtended strand (participates in β ladder)trans-131.9143.4174.4-59.70000109.2L133 L135 S243 F244L133-V163 HydrophobicContact CD2-CG1 3.87Å; L135-V163 HydrophobicContact CB-CG1 4.38Å; L135-V163 HydrophobicContact CD1-CB 4.13Å; L135-V163 HydrophobicContact CD1-CG1 4.12Å; L135-V163 HydrophobicContact CD1-CG2 4.14Å; L135-V163 HydrophobicContact CD2-CB 3.99Å; L135-V163 HydrophobicContact CD2-CG1 3.8Å; L135-V163 HydrophobicContact CG-CG1 4.32Å; V163-S243 WeakPolarHBondContact CA-O 3.23Å; V163-F244 HydrophobicContact CG1-CD2 4.24Å
164S93.8Very high92.2Very high41 Ų4141.4 Ų41.429%0.28724%0.235SC..EExtended strand (participates in β ladder)trans-144.1150.6168.6660000111.1I242 S243S164-I242 WeakPolarHBondContact O-CA 3.33Å; S164-S243 PolarHBondContact N-O 3.1Å; S164-S243 PolarHBondContact O-N 3.44Å; S164-S243 WeakPolarHBondContact OG-CB 3.32Å
165V95.3Very high91.8Very high14 Ų1440.6 Ų40.69%0.08524%0.235CC..EExtended strand (participates in β ladder)trans-137.1124.1177.5-174.80000107.8I137 F153 H155 I240 Y241 I242I137-V165 HydrophobicContact CD1-CG2 3.55Å; I137-V165 HydrophobicContact CG1-CG2 3.89Å; I137-V165 HydrophobicContact CG2-CG1 4.32Å; I137-V165 HydrophobicContact CG2-CG2 4.29Å; F153-V165 HydrophobicContact CD1-CG1 3.91Å; F153-V165 HydrophobicContact CD2-CG1 4.24Å; F153-V165 HydrophobicContact CE1-CG1 4.12Å; F153-V165 HydrophobicContact CE2-CG1 4.43Å; F153-V165 HydrophobicContact CG-CG1 3.98Å; F153-V165 HydrophobicContact CZ-CG1 4.37Å; H155-V165 HydrophobicContact CB-CG2 4.5Å; V165-I240 HydrophobicContact CG1-CG2 4.02Å; V165-Y241 WeakPolarHBondContact CA-O 3.15Å; V165-I242 HydrophobicContact CG1-CG1 4.47Å
166S93.8Very high91.4Very high22 Ų2245.8 Ų45.815%0.15426%0.258CS..EExtended strand (participates in β ladder)trans-140.8160.9-178.460.30000112.1Y241S166-Y241 PolarHBondContact N-O 3.13Å; S166-Y241 PolarHBondContact O-N 2.04Å
167L93.1Very high90.5Very high4 Ų446.2 Ų46.22%0.02126%0.26CS..EExtended strand (participates in β ladder)trans-87137.6163.6-63.1-175.8000109.2V151 F153 F192 C194 W229 I238 C239 I240V151-L167 HydrophobicContact CB-CD1 4.09Å; V151-L167 HydrophobicContact CG1-CD2 4.42Å; V151-L167 HydrophobicContact CG2-CD1 3.96Å; F153-L167 HydrophobicContact CE2-CD2 3.66Å; F153-L167 HydrophobicContact CE2-CG 3.99Å; F153-L167 HydrophobicContact CZ-CD2 3.68Å; L167-F192 HydrophobicContact CB-CE1 4Å; L167-F192 HydrophobicContact CB-CZ 3.84Å; L167-F192 VanDerWaalsContact O-CE1 3.24Å; L167-F192 WeakPolarHBondContact O-CE1 3.4Å; L167-C194 HydrophobicContact CD1-CB 4.33Å; L167-W229 HydrophobicContact CB-CD2 4.08Å; L167-W229 HydrophobicContact CB-CE3 4Å; L167-W229 HydrophobicContact CB-CZ3 4.22Å; L167-W229 HydrophobicContact CD1-CB 3.66Å; L167-W229 HydrophobicContact CD1-CD2 3.99Å; L167-W229 HydrophobicContact CD1-CE3 4.19Å; L167-W229 HydrophobicContact CD1-CG 3.77Å; L167-W229 HydrophobicContact CG-CB 4.36Å; L167-W229 HydrophobicContact CG-CD2 3.9Å; L167-W229 HydrophobicContact CG-CE3 4.25Å; L167-W229 HydrophobicContact CG-CG 3.94Å; L167-I238 HydrophobicContact CD1-CD1 4.33Å; L167-I238 HydrophobicContact CD2-CD1 4.37Å; L167-C239 WeakPolarHBondContact CA-O 3.19Å; L167-I240 HydrophobicContact CD2-CG1 4.41Å
168V90.8Very high89.1Confident14 Ų1453.1 Ų53.19%0.08530%0.295CS..EExtended strand (participates in β ladder)trans-136.9154.8178.4-59.30000111.1K172 F192 C239 Y241 K254V168-K172 HydrophobicContact CB-CB 3.86Å; V168-K172 HydrophobicContact CB-CG 4.13Å; V168-K172 HydrophobicContact CG1-CB 4.47Å; V168-K172 HydrophobicContact CG1-CG 4.19Å; V168-K172 HydrophobicContact CG2-CB 3.96Å; V168-K172 HydrophobicContact CG2-CG 4.28Å; V168-F192 VanDerWaalsContact C-CZ 3.48Å; V168-C239 HydrophobicContact CG2-CB 3.96Å; V168-C239 PolarHBondContact N-O 2.79Å; V168-C239 PolarHBondContact O-N 3.49Å; V168-Y241 HydrophobicContact CG1-CG 4.25Å; V168-Y241 HydrophobicContact CG2-CD2 4.24Å; V168-Y241 HydrophobicContact CG2-CG 4.47Å; V168-K254 HydrophobicContact CG2-CD 4.38Å; V168-K254 HydrophobicContact CG2-CG 4.4Å
169P89.3Confident87.4Confident24 Ų2454 Ų5416%0.15631%0.308CS..  trans-66.9156.8168.429.6-35.8000110.9T171 K172 F192P169-T171 PolarHBondContact O-N 2.03Å; P169-T171 VanDerWaalsContact O-N 3.09Å; P169-K172 WeakPolarHBondContact O-CB 3.49Å; P169-K172 PolarHBondContact O-N 3.27Å; P169-F192 HydrophobicContact CB-CD2 4.02Å; P169-F192 HydrophobicContact CB-CE2 4.25Å; P169-F192 HydrophobicContact CG-CD2 4.33Å
170P86.3Confident85.5Confident37 Ų3760.1 Ų60.124%0.2433%0.333CS..THydrogen-bonded Turntrans-60.9-24.3-179.3-2233.2000114K172 V237 C239 K254 Y259P170-K172 VanDerWaalsContact C-N 3.31Å; P170-K172 PolarHBondContact O-N 3.37Å; P170-V237 VanDerWaalsContact CD-O 3.23Å; P170-V237 WeakPolarHBondContact CD-O 3.23Å; P170-V237 HydrophobicContact CG-CB 3.74Å; P170-V237 HydrophobicContact CG-CG1 4.07Å; P170-V237 WeakPolarHBondContact CG-O 3.31Å; P170-C239 VanDerWaalsContact CA-SG 3.59Å; P170-K254 PolarHBondContact O-NZ 3.22Å; P170-Y259 HydrophobicContact CB-CD2 4.21Å; P170-Y259 HydrophobicContact CB-CE2 3.98Å
171T84.8Confident83.7Confident121 Ų12160 Ų6074%0.74233%0.333SS*.THydrogen-bonded Turntrans-71.5-15.7176.948.50000114.2P169 I173P169-T171 PolarHBondContact O-N 2.03Å; P169-T171 VanDerWaalsContact O-N 3.09Å; T171-I173 PolarHBondContact O-N 2.79Å
172K87.3Confident81.6Confident44 Ų4464.2 Ų64.219%0.19135%0.353CS..  trans-62.3124.8176.7177.355.6177.4170.10109.7V168 P169 P170 E175 Y241 K254V168-K172 HydrophobicContact CB-CB 3.86Å; V168-K172 HydrophobicContact CB-CG 4.13Å; V168-K172 HydrophobicContact CG1-CB 4.47Å; V168-K172 HydrophobicContact CG1-CG 4.19Å; V168-K172 HydrophobicContact CG2-CB 3.96Å; V168-K172 HydrophobicContact CG2-CG 4.28Å; P169-K172 WeakPolarHBondContact O-CB 3.49Å; P169-K172 PolarHBondContact O-N 3.27Å; P170-K172 VanDerWaalsContact C-N 3.31Å; P170-K172 PolarHBondContact O-N 3.37Å; K172-E175 IonicContact NZ-OE1 2.72Å; K172-E175 PolarHBondContact NZ-OE1 2.88Å; K172-Y241 HydrophobicContact CG-CD2 4.28Å; K172-Y241 HydrophobicContact CG-CE2 4.28Å; K172-K254 WeakPolarHBondContact O-CD 3.5Å; K172-K254 WeakPolarHBondContact O-CE 3.46Å; K172-K254 PolarHBondContact O-NZ 3.19Å
173I87.1Confident79.2Confident101 Ų10165.7 Ų65.752%0.51837%0.365SS..  trans-70.2148.6178.4-58.3172.7000109.2T171 E175T171-I173 PolarHBondContact O-N 2.79Å; I173-E175 HydrophobicContact CG2-CB 4.5Å
174V90.4Very high77.3Confident33 Ų3367.7 Ų67.720%0.237%0.374CS..  trans-90.6110.9172.6-178.80000107.7Y241 V252 K254V174-Y241 HydrophobicContact CG2-CE2 4.41Å; V174-V252 HydrophobicContact CG1-CB 4.12Å; V174-V252 HydrophobicContact CG1-CG2 3.58Å; V174-K254 HydrophobicContact CG2-CB 3.55Å; V174-K254 HydrophobicContact CG2-CD 4.41Å
175E89Confident75.1Confident81 Ų8170.6 Ų70.638%0.37939%0.387SS..  trans-150.2150.9-172.570.3-160.1147.300111.8K172 I173 D177 Y241K172-E175 IonicContact NZ-OE1 2.72Å; K172-E175 PolarHBondContact NZ-OE1 2.88Å; I173-E175 HydrophobicContact CG2-CB 4.5Å; E175-D177 PolarHBondContact O-N 2.85Å; E175-D177 VanDerWaalsContact O-N 3.1Å; E175-Y241 PolarHBondContact N-OH 2.9Å; E175-Y241 VanDerWaalsContact N-OH 3.1Å; E175-Y241 PolarHBondContact O-OH 2.84Å; E175-Y241 VanDerWaalsContact O-OH 3.05Å
176F88.3Confident72.9Confident123 Ų12373.6 Ų73.654%0.53941%0.413SS..  trans-8279.9174.7-67.9-66.7000111.4Y245 K250 V252F176-Y245 VanDerWaalsContact C-OH 3.22Å; F176-Y245 VanDerWaalsContact CA-OH 3.26Å; F176-Y245 WeakPolarHBondContact CA-OH 3.41Å; F176-Y245 HydrophobicContact CD1-CE1 4Å; F176-K250 HydrophobicContact CD1-CB 4.15Å; F176-K250 HydrophobicContact CE1-CB 3.77Å; F176-V252 HydrophobicContact CD1-CG1 4.01Å; F176-V252 HydrophobicContact CD1-CG2 3.95Å; F176-V252 HydrophobicContact CE1-CG1 4.27Å; F176-V252 HydrophobicContact CE1-CG2 3.82Å; F176-V252 HydrophobicContact CG-CG2 4.41Å; F176-V252 HydrophobicContact CZ-CG2 4.17Å
177D78.7Confident70.7Confident56 Ų5680.8 Ų80.830%0.29944%0.441SS..  trans-79.4126.6172.3-168.50.4000111.7E175 A179 Q181 Y245E175-D177 PolarHBondContact O-N 2.85Å; E175-D177 VanDerWaalsContact O-N 3.1Å; D177-A179 VanDerWaalsContact OD1-CB 3.31Å; D177-A179 WeakPolarHBondContact OD1-CB 3.04Å; D177-A179 PolarHBondContact OD1-N 3.14Å; D177-Q181 PolarHBondContact OD2-NE2 2.87Å; D177-Y245 PolarHBondContact N-OH 3Å; D177-Y245 VanDerWaalsContact N-OH 3.08Å; D177-Y245 WeakPolarHBondContact O-CE2 3.06Å; D177-Y245 VanDerWaalsContact O-CZ 3.28Å; D177-Y245 PolarHBondContact O-OH 2.94Å
178L65.3Low68.9Low150 Ų15084.4 Ų84.479%0.78546%0.461SS*.  trans-81.5-18.2173.1-81.883.4000112.4Q180L178-Q180 PolarHBondContact O-N 2.87Å
179A59.6Low67.3Low63 Ų6386.6 Ų86.652%0.52148%0.477SS..SBendtrans-69131172.300000109.5D177 Q181D177-A179 VanDerWaalsContact OD1-CB 3.31Å; D177-A179 WeakPolarHBondContact OD1-CB 3.04Å; D177-A179 PolarHBondContact OD1-N 3.14Å; A179-Q181 PolarHBondContact O-N 2.98Å
180Q53.9Low66.1Low138 Ų13895 Ų9565%0.64551%0.511SS*.  trans-65.8105.6169.7-72.8179.5-16.500108.4L178 T182L178-Q180 PolarHBondContact O-N 2.87Å; Q180-T182 HydrophobicContact CB-CG2 4.42Å; Q180-T182 PolarHBondContact O-N 2.88Å; Q180-T182 PolarHBondContact O-OG1 2.85Å
181Q52.5Low65.4Low61 Ų6197.2 Ų97.229%0.28553%0.527SS..  trans-72.553.2176.2-69.9169.8-5.800111.6D177 A179 V183D177-Q181 PolarHBondContact OD2-NE2 2.87Å; A179-Q181 PolarHBondContact O-N 2.98Å; Q181-V183 VanDerWaalsContact C-N 3.28Å
182T47.4Very low65.4Low112 Ų11292.7 Ų92.769%0.68750%0.497SS*.  trans-81.4-10.1169.349.80000112.3Q180Q180-T182 HydrophobicContact CB-CG2 4.42Å; Q180-T182 PolarHBondContact O-N 2.88Å; Q180-T182 PolarHBondContact O-OG1 2.85Å
183V42.6Very low65.5Low112 Ų11294.4 Ų94.468%0.67951%0.508SS*.SBendtrans-120.5114.4173.5-173.60000107.7Q181 D185Q181-V183 VanDerWaalsContact C-N 3.28Å; V183-D185 PolarHBondContact O-N 3.01Å; V183-D185 VanDerWaalsContact O-N 3.15Å
184I53.7Low65.7Low71 Ų7189.9 Ų89.936%0.36449%0.486SS..  trans-57.3118.1164-60.3168.6000105.9A186 W229I184-A186 PolarHBondContact O-N 2.91Å; I184-W229 HydrophobicContact CD1-CH2 4Å; I184-W229 HydrophobicContact CD1-CZ3 3.94Å
185D47.8Very low65.8Low102 Ų10295.6 Ų95.655%0.54550%0.504SS..  trans-49.5128.3-179.4-173.2-7.4000109.1V183 K187 D188 S189V183-D185 PolarHBondContact O-N 3.01Å; V183-D185 VanDerWaalsContact O-N 3.15Å; D185-K187 PolarHBondContact O-N 2.88Å; D185-K187 PolarHBondContact OD1-N 3.19Å; D185-D188 PolarHBondContact O-N 2.9Å; D185-S189 PolarHBondContact O-N 3.29Å
186A48.7Very low66.1Low77 Ų7795 Ų9564%0.63650%0.503SS*.THydrogen-bonded Turntrans-61.3-12.9-172.600000112.7I184 S189I184-A186 PolarHBondContact O-N 2.91Å; A186-S189 PolarHBondContact O-OG 2.87Å
187K48.5Very low66.4Low173 Ų17394.4 Ų94.475%0.75250%0.502SS*.THydrogen-bonded Turntrans-73.6-39.2171.6-161.9175.4-178-176.80113.5D185D185-K187 PolarHBondContact O-N 2.88Å; D185-K187 PolarHBondContact OD1-N 3.19Å
188D54.5Low67.2Low79 Ų7997.9 Ų97.942%0.42251%0.511SS..THydrogen-bonded Turntrans-88.7-25.7-177.5-78.1-8000112.7D185 K190 S191 F192D185-D188 PolarHBondContact O-N 2.9Å; D188-K190 PolarHBondContact O-N 3.18Å; D188-K190 VanDerWaalsContact O-N 3.13Å; D188-S191 PolarHBondContact O-N 3.23Å; D188-S191 PolarHBondContact O-OG 2.87Å; D188-F192 PolarHBondContact O-N 2.86Å
189S58.1Low68.6Low60 Ų6095.9 Ų95.942%0.4250%0.498SS..THydrogen-bonded Turntrans-59.8-24.5-176.668.40000114.8D185 A186 S191D185-S189 PolarHBondContact O-N 3.29Å; A186-S189 PolarHBondContact O-OG 2.87Å; S189-S191 VanDerWaalsContact C-N 3.26Å; S189-S191 PolarHBondContact O-N 2.87Å
190K64.1Low70.4Confident200 Ų20097 Ų9787%0.8749%0.491SS*.THydrogen-bonded Turntrans-72.2-16.3172.9-76.4-175.1176.6178.30114.1D188D188-K190 PolarHBondContact O-N 3.18Å; D188-K190 VanDerWaalsContact O-N 3.13Å
191S71.6Confident72.4Confident85 Ų8593.3 Ų93.359%0.59448%0.478SS*.THydrogen-bonded Turntrans-104.9-17.6-176.274.80000113.8D188 S189D188-S191 PolarHBondContact O-N 3.23Å; D188-S191 PolarHBondContact O-OG 2.87Å; S189-S191 VanDerWaalsContact C-N 3.26Å; S189-S191 PolarHBondContact O-N 2.87Å
192F85.4Confident74.5Confident26 Ų2693.4 Ų93.411%0.11448%0.48CS..  trans-108.3109.9-171.8-166.5-127.7000111.6L167 V168 P169 D188 C194 W229 I238L167-F192 HydrophobicContact CB-CE1 4Å; L167-F192 HydrophobicContact CB-CZ 3.84Å; L167-F192 VanDerWaalsContact O-CE1 3.24Å; L167-F192 WeakPolarHBondContact O-CE1 3.4Å; V168-F192 VanDerWaalsContact C-CZ 3.48Å; P169-F192 HydrophobicContact CB-CD2 4.02Å; P169-F192 HydrophobicContact CB-CE2 4.25Å; P169-F192 HydrophobicContact CG-CD2 4.33Å; D188-F192 PolarHBondContact O-N 2.86Å; F192-C194 HydrophobicContact CD1-CB 3.93Å; F192-C194 HydrophobicContact CE1-CB 3.51Å; F192-C194 HydrophobicContact CE2-CB 4.41Å; F192-C194 HydrophobicContact CZ-CB 3.77Å; F192-C194 PolarHBondContact O-N 2.86Å; F192-W229 HydrophobicContact CE1-CZ3 4.36Å; F192-I238 HydrophobicContact CE2-CG2 4.26Å
193N89.3Confident76.7Confident79 Ų7994.7 Ų94.742%0.42248%0.477SS..  trans-75.217.3-174.1-67.8-27.3000114.8C231 S232 P234N193-C231 VanDerWaalsContact O-CA 3.32Å; N193-C231 WeakPolarHBondContact O-CA 3.49Å; N193-S232 WeakPolarHBondContact CB-O 3.18Å; N193-S232 PolarHBondContact O-N 3.4Å; N193-P234 PolarHBondContact ND2-O 3.15Å
194C91.2Very high79.2Confident7 Ų792.1 Ų92.15%0.04747%0.467CS..EExtended strand (participates in β ladder)trans-120132.4-179.6-70.50000110.1L167 F192 W229 L230 C231L167-C194 HydrophobicContact CD1-CB 4.33Å; F192-C194 HydrophobicContact CD1-CB 3.93Å; F192-C194 HydrophobicContact CE1-CB 3.51Å; F192-C194 HydrophobicContact CE2-CB 4.41Å; F192-C194 HydrophobicContact CZ-CB 3.77Å; F192-C194 PolarHBondContact O-N 2.86Å; C194-W229 HydrophobicContact CB-CE3 4.15Å; C194-L230 WeakPolarHBondContact CA-O 3.5Å; C194-C231 HydrophobicContact CB-CB 4.13Å; C194-C231 WeakPolarHBondContact CB-SG 3.37Å; C194-C231 WeakPolarHBondContact SG-CB 3.46Å; C194-C231 CovalentContact SG-SG 2.04Å; C194-C231 PolarHBondContact SG-SG 2.95Å
195R92.1Very high81Confident152 Ų15292.3 Ų92.357%0.57447%0.472SS*.EExtended strand (participates in β ladder)trans-133.6153.9177.961.6179.3-179.5-114.42.1111.1E197 W229 L230R195-E197 PolarHBondContact O-N 2.83Å; R195-W229 CarbonylContact O-C 3.53Å; R195-W229 WeakPolarHBondContact O-CA 3.49Å; R195-L230 PolarHBondContact N-O 2.86Å; R195-L230 PolarHBondContact O-N 2.8Å
196I94.1Very high83Confident70 Ų7093.6 Ų93.636%0.35947%0.472SS..EExtended strand (participates in β ladder)trans-69.4127167.8-60173.1000107.8E199 V227 W229I196-E199 HydrophobicContact CG2-CB 4.1Å; I196-V227 HydrophobicContact CG1-CG1 4.29Å; I196-V227 HydrophobicContact CG2-CG1 4.07Å; I196-W229 HydrophobicContact CD1-CH2 4.18Å; I196-W229 HydrophobicContact CD1-CZ2 3.86Å; I196-W229 HydrophobicContact CG1-CD2 3.96Å; I196-W229 HydrophobicContact CG1-CE3 4.14Å; I196-W229 HydrophobicContact CG1-CH2 3.79Å; I196-W229 HydrophobicContact CG1-CZ2 3.56Å; I196-W229 HydrophobicContact CG1-CZ3 4.07Å
197E95.1Very high84.8Confident110 Ų11094.5 Ų94.551%0.51447%0.466SS..EExtended strand (participates in β ladder)trans-100.1-37.9175173.1-177-128.700110.7R195 S228 L230R195-E197 PolarHBondContact O-N 2.83Å; E197-S228 PolarHBondContact N-O 2.89Å; E197-S228 PolarHBondContact OE2-OG 2.85Å; E197-L230 HydrophobicContact CB-CB 4.1Å
198Y95.2Very high86.3Confident128 Ų12888.4 Ų88.450%0.50244%0.444SS..EExtended strand (participates in β ladder)trans-146.1137.9179.4177.2-98.9000110K200 V227 S228Y198-K200 HydrophobicContact CE1-CB 3.8Å; Y198-V227 CarbonylContact O-C 3.57Å; Y198-V227 WeakPolarHBondContact O-CA 3.31Å; Y198-S228 PolarHBondContact N-O 2.89Å; Y198-S228 PolarHBondContact O-N 2.84Å
199E95.6Very high87.8Confident109 Ų10990 Ų9051%0.50945%0.451SS..EExtended strand (participates in β ladder)trans-137.8133.2170.4175166.6-158.700109.1I196 V201 H226 V227I196-E199 HydrophobicContact CG2-CB 4.1Å; E199-V201 HydrophobicContact CG-CG2 3.94Å; E199-H226 WeakPolarHBondContact CA-O 3.24Å; E199-V227 HydrophobicContact CG-CG2 4.25Å
200K96.7Very high89Confident87 Ų8787.3 Ų87.338%0.37843%0.433SS..EExtended strand (participates in β ladder)trans-132129.3168.3-172.8-179-168.6-111.80108.8Y198 D202 S225 H226Y198-K200 HydrophobicContact CE1-CB 3.8Å; K200-D202 VanDerWaalsContact CE-OD1 3.28Å; K200-D202 WeakPolarHBondContact CE-OD1 3.47Å; K200-D202 IonicContact NZ-OD1 2.72Å; K200-D202 PolarHBondContact NZ-OD1 2.04Å; K200-D202 IonicContact NZ-OD2 2.72Å; K200-D202 PolarHBondContact NZ-OD2 2.72Å; K200-S225 CarbonylContact O-C 3.55Å; K200-S225 VanDerWaalsContact O-CA 3.3Å; K200-S225 WeakPolarHBondContact O-CA 3.18Å; K200-H226 PolarHBondContact N-O 3.09Å; K200-H226 PolarHBondContact O-N 3.38Å
201V96.3Very high89.7Confident59 Ų5985.9 Ų85.936%0.35844%0.435SS..EExtended strand (participates in β ladder)trans-128.2107.4176.9-171.60000108.7E199 K203 T223E199-V201 HydrophobicContact CG-CG2 3.94Å; V201-K203 HydrophobicContact CG1-CG 3.98Å; V201-T223 HydrophobicContact CG1-CG2 3.59Å
202D96.3Very high90.1Very high64 Ų6489.6 Ų89.634%0.34244%0.437SS..EExtended strand (participates in β ladder)trans-91.7119172.8-59.5-47.2000108.2K200 T223 Q224K200-D202 VanDerWaalsContact CE-OD1 3.28Å; K200-D202 WeakPolarHBondContact CE-OD1 3.47Å; K200-D202 IonicContact NZ-OD1 2.72Å; K200-D202 PolarHBondContact NZ-OD1 2.04Å; K200-D202 IonicContact NZ-OD2 2.72Å; K200-D202 PolarHBondContact NZ-OD2 2.72Å; D202-T223 CarbonylContact O-C 3.57Å; D202-T223 WeakPolarHBondContact O-CA 3.35Å; D202-Q224 PolarHBondContact N-O 2.89Å; D202-Q224 PolarHBondContact O-N 3.31Å
203K94.7Very high90.1Very high139 Ų13990 Ų9060%0.60444%0.44SS*.EExtended strand (participates in β ladder)trans-116.6131.5176.3-62.7-164.7175.5-172.20110.7V201 T223V201-K203 HydrophobicContact CG1-CG 3.98Å; K203-T223 HydrophobicContact CG-CG2 4.02Å
204A93.5Very high89.9Confident58 Ų5890.8 Ų90.848%0.47945%0.45SS..EExtended strand (participates in β ladder)trans-129.2121.3173.400000109.5Q222A204-Q222 PolarHBondContact N-O 2.98Å; A204-Q222 PolarHBondContact O-N 3.02Å
205T92.8Very high89.7Confident75 Ų7595.4 Ų95.446%0.4648%0.482SS..EExtended strand (participates in β ladder)trans-101.4121.3175.8-54.30000109.1Y219 E221T205-Y219 HydrophobicContact CG2-CD1 4.37Å; T205-E221 HydrophobicContact CG2-CG 4.2Å
206K88.6Confident89.3Confident128 Ų12893.5 Ų93.556%0.55748%0.478SS*.EExtended strand (participates in β ladder)trans-104.9123.8174.3-168.3-177.3-179.3-179.40109.5T208 Q220K206-T208 HydrophobicContact CD-CG2 4Å; K206-T208 HydrophobicContact CG-CG2 4.05Å; K206-Q220 PolarHBondContact N-O 3.49Å; K206-Q220 PolarHBondContact O-N 2.84Å
207N86.8Confident88.8Confident96 Ų9693.6 Ų93.651%0.51348%0.482SS..EExtended strand (participates in β ladder)trans-89.6126.9171.5-61.32.8000108T217 Y219N207-T217 HydrophobicContact CB-CG2 3.89Å; N207-Y219 WeakPolarHBondContact OD1-CD1 3.13Å; N207-Y219 WeakPolarHBondContact OD1-CE1 3.32Å
208T80.9Confident88.3Confident46 Ų4689.6 Ų89.628%0.28247%0.466SS..EExtended strand (participates in β ladder)trans-133.3158.5176.354.30000109.7K206 C218K206-T208 HydrophobicContact CD-CG2 4Å; K206-T208 HydrophobicContact CG-CG2 4.05Å; T208-C218 PolarHBondContact N-O 2.72Å; T208-C218 PolarHBondContact O-N 3.4Å; T208-C218 VanDerWaalsContact O-O 3.1Å
209L84.8Confident87.8Confident111 Ų11189.5 Ų89.558%0.58147%0.465SS*.EExtended strand (participates in β ladder)trans-71141.6170.5-59.9179.5000109.4N211L209-N211 PolarHBondContact O-N 3.1Å
210C83.7Confident87.4Confident4 Ų487.7 Ų87.73%0.02746%0.457CS..EExtended strand (participates in β ladder)trans-70.3128.6-179.9-64.80000111.2Y212 D213 K216 C218C210-Y212 HydrophobicContact CB-CD1 4.16Å; C210-Y212 HydrophobicContact CB-CD2 4.49Å; C210-Y212 HydrophobicContact CB-CE1 3.78Å; C210-Y212 HydrophobicContact CB-CE2 4.14Å; C210-Y212 HydrophobicContact CB-CG 4.5Å; C210-Y212 PolarHBondContact O-N 3.35Å; C210-D213 WeakPolarHBondContact CB-O 3.43Å; C210-D213 CarbonylContact O-C 3.59Å; C210-D213 PolarHBondContact O-N 3.27Å; C210-K216 HydrophobicContact CB-CB 4.41Å; C210-K216 PolarHBondContact N-O 3.2Å; C210-K216 PolarHBondContact SG-O 2.59Å; C210-K216 VanDerWaalsContact SG-O 3.4Å; C210-C218 VanDerWaalsContact CA-SG 3.53Å; C210-C218 HydrophobicContact CB-CB 4.08Å; C210-C218 WeakPolarHBondContact CB-SG 2.98Å; C210-C218 VanDerWaalsContact SG-CA 3.53Å; C210-C218 WeakPolarHBondContact SG-CB 3.39Å; C210-C218 PolarHBondContact SG-N 3.26Å; C210-C218 CovalentContact SG-SG 2.04Å; C210-C218 PolarHBondContact SG-SG 2.74Å
211N78.5Confident87.2Confident170 Ų17086.8 Ų86.891%0.90945%0.454SS*.THydrogen-bonded Turntrans-57.2-26-179.9-68.4-1.3000114.5L209L209-N211 PolarHBondContact O-N 3.1Å
212Y81Confident87.1Confident163 Ų16388.7 Ų88.764%0.63946%0.459SS*.THydrogen-bonded Turntrans-93.5-13.8179.958.6-95.5000113.5C210C210-Y212 HydrophobicContact CB-CD1 4.16Å; C210-Y212 HydrophobicContact CB-CD2 4.49Å; C210-Y212 HydrophobicContact CB-CE1 3.78Å; C210-Y212 HydrophobicContact CB-CE2 4.14Å; C210-Y212 HydrophobicContact CB-CG 4.5Å; C210-Y212 PolarHBondContact O-N 3.35Å
213D85.6Confident87.1Confident34 Ų3486.3 Ų86.318%0.18245%0.447CS..EExtended strand (participates in β ladder)trans-159.895.1-177-176.3-9.3000110C210 S215 K216C210-D213 WeakPolarHBondContact CB-O 3.43Å; C210-D213 CarbonylContact O-C 3.59Å; C210-D213 PolarHBondContact O-N 3.27Å; D213-S215 PolarHBondContact O-N 2.77Å; D213-S215 WeakPolarHBondContact OD1-CB 3.35Å; D213-S215 PolarHBondContact OD1-N 3.09Å; D213-S215 PolarHBondContact OD1-OG 3.49Å; D213-S215 PolarHBondContact OD2-OG 3.25Å; D213-K216 HydrophobicContact CB-CB 4.5Å; D213-K216 HydrophobicContact CB-CD 4.5Å; D213-K216 HydrophobicContact CB-CG 4.47Å; D213-K216 PolarHBondContact O-N 3.03Å; D213-K216 WeakPolarHBondContact OD2-CD 3.36Å; D213-K216 WeakPolarHBondContact OD2-CE 3.34Å; D213-K216 WeakPolarHBondContact OD2-CG 3.19Å; D213-K216 IonicContact OD2-NZ 2.6Å; D213-K216 PolarHBondContact OD2-NZ 3.03Å
214P84.2Confident87.2Confident97 Ų9782.7 Ų82.763%0.6343%0.432SS*.EExtended strand (participates in β ladder)trans-63.2-11.4-179.4-23.935000114.9K216P214-K216 VanDerWaalsContact C-N 3.28Å
215S86.3Confident87.4Confident103 Ų10380 Ų8072%0.7241%0.41SS*.EExtended strand (participates in β ladder)trans-78.8-12.2173.775.90000113.2D213D213-S215 PolarHBondContact O-N 2.77Å; D213-S215 WeakPolarHBondContact OD1-CB 3.35Å; D213-S215 PolarHBondContact OD1-N 3.09Å; D213-S215 PolarHBondContact OD1-OG 3.49Å; D213-S215 PolarHBondContact OD2-OG 3.25Å
216K84.1Confident87.6Confident112 Ų11279.8 Ų79.849%0.48740%0.403SS..EExtended strand (participates in β ladder)trans-110138.9-177.6-67.1-173.6177.296.40112.1C210 D213 P214C210-K216 HydrophobicContact CB-CB 4.41Å; C210-K216 PolarHBondContact N-O 3.2Å; C210-K216 PolarHBondContact SG-O 2.59Å; C210-K216 VanDerWaalsContact SG-O 3.4Å; D213-K216 HydrophobicContact CB-CB 4.5Å; D213-K216 HydrophobicContact CB-CD 4.5Å; D213-K216 HydrophobicContact CB-CG 4.47Å; D213-K216 PolarHBondContact O-N 3.03Å; D213-K216 WeakPolarHBondContact OD2-CD 3.36Å; D213-K216 WeakPolarHBondContact OD2-CE 3.34Å; D213-K216 WeakPolarHBondContact OD2-CG 3.19Å; D213-K216 IonicContact OD2-NZ 2.6Å; D213-K216 PolarHBondContact OD2-NZ 3.03Å; P214-K216 VanDerWaalsContact C-N 3.28Å
217T85Confident88Confident73 Ų7374.1 Ų74.145%0.44838%0.379SS..EExtended strand (participates in β ladder)trans-85.4122.2171.7-50.60000110.1N207N207-T217 HydrophobicContact CB-CG2 3.89Å
218C83.9Confident88.4Confident25 Ų2569.9 Ų69.917%0.16936%0.357CS..EExtended strand (participates in β ladder)trans-97.2134171.3-88.30000110.1T208 C210T208-C218 PolarHBondContact N-O 2.72Å; T208-C218 PolarHBondContact O-N 3.4Å; T208-C218 VanDerWaalsContact O-O 3.1Å; C210-C218 VanDerWaalsContact CA-SG 3.53Å; C210-C218 HydrophobicContact CB-CB 4.08Å; C210-C218 WeakPolarHBondContact CB-SG 2.98Å; C210-C218 VanDerWaalsContact SG-CA 3.53Å; C210-C218 WeakPolarHBondContact SG-CB 3.39Å; C210-C218 PolarHBondContact SG-N 3.26Å; C210-C218 CovalentContact SG-SG 2.04Å; C210-C218 PolarHBondContact SG-SG 2.74Å
219Y84.4Confident89.1Confident126 Ų12667.9 Ų67.949%0.49434%0.344SS..EExtended strand (participates in β ladder)trans-94.8130.6175.6-57.4-84000109.8Q160 T205 N207Q160-Y219 WeakPolarHBondContact CG-O 3.26Å; Q160-Y219 PolarHBondContact NE2-O 3.19Å; T205-Y219 HydrophobicContact CG2-CD1 4.37Å; N207-Y219 WeakPolarHBondContact OD1-CD1 3.13Å; N207-Y219 WeakPolarHBondContact OD1-CE1 3.32Å
220Q87.1Confident89.6Confident71 Ų7163.7 Ų63.733%0.33232%0.323SS..EExtended strand (participates in β ladder)trans-122.6109.6171.4-176.21786.800108.4T158 K206T158-Q220 HydrophobicContact CG2-CG 4.26Å; K206-Q220 PolarHBondContact N-O 3.49Å; K206-Q220 PolarHBondContact O-N 2.84Å
221E92.8Very high90Very high68 Ų6863.5 Ų63.532%0.31832%0.321SS..EExtended strand (participates in β ladder)trans-87.4136174.5-57.1-166.7146.100109.6T158 G159 T205T158-E221 CarbonylContact C-O 3.47Å; T158-E221 VanDerWaalsContact CA-O 3.28Å; T158-E221 WeakPolarHBondContact CA-O 3.5Å; G159-E221 PolarHBondContact N-O 3.36Å; G159-E221 WeakPolarHBondContact O-CB 3.38Å; G159-E221 PolarHBondContact O-N 2.9Å; T205-E221 HydrophobicContact CG2-CG 4.2Å
222Q94.6Very high90.5Very high100 Ų10057.3 Ų57.347%0.46729%0.291SS..EExtended strand (participates in β ladder)trans-116.2119.6166.5-60.8-165.9-67.200107.7S157 T158 A204S157-Q222 WeakPolarHBondContact O-CA 3.43Å; T158-Q222 HydrophobicContact CG2-CG 4.17Å; T158-Q222 PolarHBondContact OG1-NE2 3.03Å; A204-Q222 PolarHBondContact N-O 2.98Å; A204-Q222 PolarHBondContact O-N 3.02Å
223T95.8Very high90.4Very high13 Ų1353.7 Ų53.78%0.0828%0.279CS..EExtended strand (participates in β ladder)trans-115.4128.1174.7-60.30000109N156 S157 V201 D202 K203N156-T223 CarbonylContact C-O 3.6Å; N156-T223 VanDerWaalsContact CA-O 3.31Å; N156-T223 WeakPolarHBondContact CA-O 3.4Å; S157-T223 PolarHBondContact N-O 2.68Å; S157-T223 PolarHBondContact O-N 2.93Å; S157-T223 WeakPolarHBondContact OG-CB 3.34Å; V201-T223 HydrophobicContact CG1-CG2 3.59Å; D202-T223 CarbonylContact O-C 3.57Å; D202-T223 WeakPolarHBondContact O-CA 3.35Å; K203-T223 HydrophobicContact CG-CG2 4.02Å
224Q97Very high89.6Confident64 Ų6457.9 Ų57.930%0.29931%0.308SS..EExtended strand (participates in β ladder)trans-115118.6166.8173171.8-65.200108.3N156 D202 H226N156-Q224 WeakPolarHBondContact OD1-CG 3.11Å; N156-Q224 PolarHBondContact OD1-OE1 3.08Å; D202-Q224 PolarHBondContact N-O 2.89Å; D202-Q224 PolarHBondContact O-N 3.31Å; Q224-H226 WeakPolarHBondContact CG-NE2 3.45Å; Q224-H226 PolarHBondContact NE2-NE2 2.84Å
225S97Very high88.8Confident1 Ų155.2 Ų55.21%0.00729%0.286CS..EExtended strand (participates in β ladder)trans-119.7142.5179.81710000111.1R154 H155 K200R154-S225 CarbonylContact C-O 3.5Å; R154-S225 VanDerWaalsContact CA-O 3.31Å; R154-S225 WeakPolarHBondContact CA-O 3.2Å; H155-S225 WeakPolarHBondContact CE1-CB 3.39Å; H155-S225 PolarHBondContact CE1-OG 3.1Å; H155-S225 VanDerWaalsContact CE1-OG 3.23Å; H155-S225 PolarHBondContact N-O 2.94Å; H155-S225 VanDerWaalsContact NE2-CB 3.35Å; H155-S225 WeakPolarHBondContact NE2-CB 3.31Å; H155-S225 PolarHBondContact O-N 3.05Å; K200-S225 CarbonylContact O-C 3.55Å; K200-S225 VanDerWaalsContact O-CA 3.3Å; K200-S225 WeakPolarHBondContact O-CA 3.18Å
226H97.1Very high87.9Confident71 Ų7158.9 Ų58.933%0.32929%0.289SS..EExtended strand (participates in β ladder)trans-130.5122.4173.3-65-103.7000108.4F153 R154 E199 K200 Q224F153-H226 CarbonylContact O-C 3.58Å; F153-H226 WeakPolarHBondContact O-CA 3.5Å; R154-H226 WeakPolarHBondContact CD-CE1 3.42Å; R154-H226 PolarHBondContact NE-CE1 3.1Å; E199-H226 WeakPolarHBondContact CA-O 3.24Å; K200-H226 PolarHBondContact N-O 3.09Å; K200-H226 PolarHBondContact O-N 3.38Å; Q224-H226 WeakPolarHBondContact CG-NE2 3.45Å; Q224-H226 PolarHBondContact NE2-NE2 2.84Å
227V97.1Very high87.7Confident9 Ų954 Ų546%0.05527%0.269CS..EExtended strand (participates in β ladder)trans-129.2125.3-178.1-168.50000109.7Y152 F153 I196 Y198 E199Y152-V227 CarbonylContact C-O 3.5Å; Y152-V227 WeakPolarHBondContact CA-O 3.21Å; F153-V227 PolarHBondContact N-O 2.89Å; F153-V227 PolarHBondContact O-N 3.45Å; I196-V227 HydrophobicContact CG1-CG1 4.29Å; I196-V227 HydrophobicContact CG2-CG1 4.07Å; Y198-V227 CarbonylContact O-C 3.57Å; Y198-V227 WeakPolarHBondContact O-CA 3.31Å; E199-V227 HydrophobicContact CG-CG2 4.25Å
228S96.1Very high87.9Confident6 Ų651 Ų514%0.04225%0.25CS..EExtended strand (participates in β ladder)trans-99119.6167.8-173.10000109Y152 E197 Y198Y152-S228 VanDerWaalsContact CE1-OG 3.28Å; Y152-S228 WeakPolarHBondContact CE1-OG 3.34Å; E197-S228 PolarHBondContact N-O 2.89Å; E197-S228 PolarHBondContact OE2-OG 2.85Å; Y198-S228 PolarHBondContact N-O 2.89Å; Y198-S228 PolarHBondContact O-N 2.84Å
229W95.7Very high88.2Confident4 Ų449.9 Ų49.92%0.01524%0.242CC..EExtended strand (participates in β ladder)trans-98.3134.9165.5-69.976.4000109.4S150 V151 F153 L167 I184 F192 C194 R195 I196S150-W229 CarbonylContact C-O 3.54Å; S150-W229 WeakPolarHBondContact CA-O 3.3Å; S150-W229 WeakPolarHBondContact CB-O 2.96Å; V151-W229 HydrophobicContact CB-CB 4.36Å; V151-W229 PolarHBondContact N-O 3.19Å; V151-W229 PolarHBondContact O-N 3.27Å; F153-W229 AromaticContact CD2-CD1 3.84Å; F153-W229 AromaticContact CD2-NE1 4Å; L167-W229 HydrophobicContact CB-CD2 4.08Å; L167-W229 HydrophobicContact CB-CE3 4Å; L167-W229 HydrophobicContact CB-CZ3 4.22Å; L167-W229 HydrophobicContact CD1-CB 3.66Å; L167-W229 HydrophobicContact CD1-CD2 3.99Å; L167-W229 HydrophobicContact CD1-CE3 4.19Å; L167-W229 HydrophobicContact CD1-CG 3.77Å; L167-W229 HydrophobicContact CG-CB 4.36Å; L167-W229 HydrophobicContact CG-CD2 3.9Å; L167-W229 HydrophobicContact CG-CE3 4.25Å; L167-W229 HydrophobicContact CG-CG 3.94Å; I184-W229 HydrophobicContact CD1-CH2 4Å; I184-W229 HydrophobicContact CD1-CZ3 3.94Å; F192-W229 HydrophobicContact CE1-CZ3 4.36Å; C194-W229 HydrophobicContact CB-CE3 4.15Å; R195-W229 CarbonylContact O-C 3.53Å; R195-W229 WeakPolarHBondContact O-CA 3.49Å; I196-W229 HydrophobicContact CD1-CH2 4.18Å; I196-W229 HydrophobicContact CD1-CZ2 3.86Å; I196-W229 HydrophobicContact CG1-CD2 3.96Å; I196-W229 HydrophobicContact CG1-CE3 4.14Å; I196-W229 HydrophobicContact CG1-CH2 3.79Å; I196-W229 HydrophobicContact CG1-CZ2 3.56Å; I196-W229 HydrophobicContact CG1-CZ3 4.07Å
230L93.9Very high88.7Confident24 Ų2443.9 Ų43.913%0.12622%0.218CC..EExtended strand (participates in β ladder)trans-108.6126.8169.9-179.766.4000109.2C194 R195 E197C194-L230 WeakPolarHBondContact CA-O 3.5Å; R195-L230 PolarHBondContact N-O 2.86Å; R195-L230 PolarHBondContact O-N 2.8Å; E197-L230 HydrophobicContact CB-CB 4.1Å
231C92.1Very high89.1Confident0 Ų040.5 Ų40.50%020%0.203CC..EExtended strand (participates in β ladder)trans-125.2137-176.2-65.30000111.8T148 F149 N193 C194T148-C231 CarbonylContact C-O 3.54Å; T148-C231 WeakPolarHBondContact CA-O 3.41Å; T148-C231 VanDerWaalsContact CB-O 3.3Å; T148-C231 WeakPolarHBondContact CB-O 3.37Å; F149-C231 HydrophobicContact CD1-CB 3.68Å; F149-C231 WeakPolarHBondContact CD1-O 3.05Å; F149-C231 HydrophobicContact CD2-CB 4.15Å; F149-C231 HydrophobicContact CE1-CB 3.14Å; F149-C231 HydrophobicContact CE2-CB 3.7Å; F149-C231 HydrophobicContact CG-CB 4.17Å; F149-C231 HydrophobicContact CZ-CB 3.18Å; F149-C231 PolarHBondContact N-O 2.72Å; F149-C231 PolarHBondContact O-N 2.87Å; N193-C231 VanDerWaalsContact O-CA 3.32Å; N193-C231 WeakPolarHBondContact O-CA 3.49Å; C194-C231 HydrophobicContact CB-CB 4.13Å; C194-C231 WeakPolarHBondContact CB-SG 3.37Å; C194-C231 WeakPolarHBondContact SG-CB 3.46Å; C194-C231 CovalentContact SG-SG 2.04Å; C194-C231 PolarHBondContact SG-SG 2.95Å
232S89.6Confident89.2Confident39 Ų3937.3 Ų37.327%0.27319%0.188SC..EExtended strand (participates in β ladder)trans-108144.1-178.9-640000113.4N193N193-S232 WeakPolarHBondContact CB-O 3.18Å; N193-S232 PolarHBondContact O-N 3.4Å
233K78.9Confident89.2Confident88 Ų8832.8 Ų32.838%0.38317%0.167SC..SBendtrans-69.2154.9163.6-72.6174.1-167.9165.20111.4M118 G147 F235M118-K233 VanDerWaalsContact CE-NZ 3.28Å; M118-K233 VanDerWaalsContact SD-CE 3.52Å; M118-K233 PolarHBondContact SD-NZ 3.34Å; G147-K233 WeakPolarHBondContact O-CB 3.39Å; G147-K233 VanDerWaalsContact O-CG 3.25Å; G147-K233 WeakPolarHBondContact O-CG 3.49Å; G147-K233 PolarHBondContact O-N 3.13Å; K233-F235 HydrophobicContact CB-CD1 4.32Å; K233-F235 HydrophobicContact CD-CE1 4.36Å; K233-F235 HydrophobicContact CG-CD1 3.6Å; K233-F235 HydrophobicContact CG-CE1 3.41Å; K233-F235 VanDerWaalsContact CG-CE1 3.41Å
234P69.4Low89.2Confident121 Ų12132.2 Ų32.279%0.78616%0.164SC*.SBendcis-79.2124.2-631.7-32.3000110.8N193N193-P234 PolarHBondContact ND2-O 3.15Å
235F67.1Low89.1Confident41 Ų4131.1 Ų31.118%0.1816%0.157CC..  trans-113.8146.617661.1-92.8000110.5F119 F149 K233F119-F235 HydrophobicContact CD1-CE2 4.5Å; F119-F235 HydrophobicContact CE1-CD2 4.49Å; F119-F235 AromaticContact CE1-CE2 3.43Å; F119-F235 HydrophobicContact CE1-CE2 3.43Å; F119-F235 VanDerWaalsContact CE1-CE2 3.43Å; F119-F235 AromaticContact CE1-CZ 3.59Å; F119-F235 HydrophobicContact CE1-CZ 3.59Å; F119-F235 HydrophobicContact CE2-CZ 4.16Å; F119-F235 HydrophobicContact CZ-CE1 4.11Å; F119-F235 AromaticContact CZ-CE2 3.61Å; F119-F235 HydrophobicContact CZ-CE2 3.61Å; F119-F235 AromaticContact CZ-CZ 3.22Å; F119-F235 HydrophobicContact CZ-CZ 3.22Å; F149-F235 HydrophobicContact CD1-CD1 4.02Å; F149-F235 AromaticContact CD1-CE1 3.52Å; F149-F235 HydrophobicContact CD1-CE1 3.52Å; F149-F235 AromaticContact CD1-CZ 3.98Å; F149-F235 HydrophobicContact CD1-CZ 3.98Å; F149-F235 AromaticContact CE1-CD1 3.37Å; F149-F235 HydrophobicContact CE1-CD1 3.37Å; F149-F235 HydrophobicContact CE1-CD2 4.1Å; F149-F235 AromaticContact CE1-CE1 3.24Å; F149-F235 HydrophobicContact CE1-CE1 3.24Å; F149-F235 HydrophobicContact CE1-CE2 4.02Å; F149-F235 AromaticContact CE1-CG 3.82Å; F149-F235 HydrophobicContact CE1-CG 3.82Å; F149-F235 AromaticContact CE1-CZ 3.62Å; F149-F235 HydrophobicContact CE1-CZ 3.62Å; F149-F235 HydrophobicContact CZ-CD1 4.34Å; F149-F235 HydrophobicContact CZ-CD2 4.35Å; F149-F235 HydrophobicContact CZ-CE1 4.26Å; F149-F235 HydrophobicContact CZ-CE2 4.3Å; F149-F235 HydrophobicContact CZ-CG 4.39Å; F149-F235 HydrophobicContact CZ-CZ 4.27Å; K233-F235 HydrophobicContact CB-CD1 4.32Å; K233-F235 HydrophobicContact CD-CE1 4.36Å; K233-F235 HydrophobicContact CG-CD1 3.6Å; K233-F235 HydrophobicContact CG-CE1 3.41Å; K233-F235 VanDerWaalsContact CG-CE1 3.41Å
236K67.9Low88.9Confident181 Ų18131.6 Ų31.679%0.78716%0.16SC*.  trans-93.5-178.4164.4-64.5179.8179.1179.10108.5I238K236-I238 PolarHBondContact O-N 3.4Å
237V80.4Confident88.6Confident10 Ų1032.8 Ų32.86%0.06117%0.173CC..  trans-37.3128.8175.4-173.60000111.5P170 C256 Y259 H262P170-V237 VanDerWaalsContact CD-O 3.23Å; P170-V237 WeakPolarHBondContact CD-O 3.23Å; P170-V237 HydrophobicContact CG-CB 3.74Å; P170-V237 HydrophobicContact CG-CG1 4.07Å; P170-V237 WeakPolarHBondContact CG-O 3.31Å; V237-C256 HydrophobicContact CG1-CB 4.21Å; V237-Y259 HydrophobicContact CG1-CD2 4.09Å; V237-Y259 HydrophobicContact CG1-CG 4.5Å; V237-Y259 HydrophobicContact CG2-CD2 4.36Å; V237-H262 HydrophobicContact CG2-CB 3.64Å
238I88.2Confident88.4Confident10 Ų1034.8 Ų34.85%0.05118%0.183CC..  trans-103.2148.716755.5164.5000110W121 F149 V151 L167 F192 K236W121-I238 HydrophobicContact CH2-CD1 4.09Å; W121-I238 HydrophobicContact CZ2-CD1 3.73Å; W121-I238 HydrophobicContact CZ2-CG1 4Å; F149-I238 HydrophobicContact CE2-CD1 3.7Å; F149-I238 HydrophobicContact CZ-CD1 3.84Å; V151-I238 HydrophobicContact CG2-CD1 4.28Å; L167-I238 HydrophobicContact CD1-CD1 4.33Å; L167-I238 HydrophobicContact CD2-CD1 4.37Å; F192-I238 HydrophobicContact CE2-CG2 4.26Å; K236-I238 PolarHBondContact O-N 3.4Å
239C91Very high88.4Confident0 Ų042.1 Ų42.10%021%0.211CC..EExtended strand (participates in β ladder)trans-122.5149.9176.5-53.80000110.6L167 V168 P170 K254 V255 C256L167-C239 WeakPolarHBondContact CA-O 3.19Å; V168-C239 HydrophobicContact CG2-CB 3.96Å; V168-C239 PolarHBondContact N-O 2.79Å; V168-C239 PolarHBondContact O-N 3.49Å; P170-C239 VanDerWaalsContact CA-SG 3.59Å; C239-K254 HydrophobicContact CB-CD 4.26Å; C239-K254 HydrophobicContact CB-CG 3.81Å; C239-V255 CarbonylContact C-O 3.55Å; C239-V255 WeakPolarHBondContact CA-O 3.12Å; C239-V255 WeakPolarHBondContact CB-O 3.48Å; C239-C256 HydrophobicContact CB-CB 4.06Å; C239-C256 WeakPolarHBondContact CB-SG 3.45Å; C239-C256 WeakPolarHBondContact SG-CB 3.28Å; C239-C256 CovalentContact SG-SG 2.03Å; C239-C256 PolarHBondContact SG-SG 2.97Å
240I93.9Very high88.3Confident0 Ų047.7 Ų47.70%024%0.235CC..EExtended strand (participates in β ladder)trans-95.1121.3173.7-51.1174.5000106.6W121 F124 F153 V165 L167 I242 K254 V255W121-I240 HydrophobicContact CH2-CD1 4.31Å; W121-I240 HydrophobicContact CZ3-CD1 3.98Å; F124-I240 HydrophobicContact CB-CD1 4.09Å; F124-I240 HydrophobicContact CD1-CD1 3.77Å; F124-I240 HydrophobicContact CD2-CD1 3.52Å; F124-I240 HydrophobicContact CE1-CD1 4.04Å; F124-I240 HydrophobicContact CE1-CG2 4.23Å; F124-I240 HydrophobicContact CE2-CD1 3.82Å; F124-I240 HydrophobicContact CG-CD1 3.49Å; F124-I240 VanDerWaalsContact CG-CD1 3.49Å; F124-I240 HydrophobicContact CZ-CD1 4.06Å; F124-I240 HydrophobicContact CZ-CG2 4.39Å; F153-I240 HydrophobicContact CE1-CD1 4.11Å; F153-I240 HydrophobicContact CE1-CG1 4.38Å; F153-I240 HydrophobicContact CE1-CG2 3.97Å; F153-I240 HydrophobicContact CZ-CD1 4.23Å; F153-I240 HydrophobicContact CZ-CG1 4.05Å; F153-I240 HydrophobicContact CZ-CG2 3.92Å; V165-I240 HydrophobicContact CG1-CG2 4.02Å; L167-I240 HydrophobicContact CD2-CG1 4.41Å; I240-I242 HydrophobicContact CG2-CD1 4.49Å; I240-I242 HydrophobicContact CG2-CG1 4.19Å; I240-K254 CarbonylContact O-C 3.57Å; I240-K254 WeakPolarHBondContact O-CA 2.98Å; I240-V255 PolarHBondContact N-O 2.97Å; I240-V255 PolarHBondContact O-N 3.07Å
241Y94.6Very high88.3Confident1 Ų149.8 Ų49.80%0.00425%0.246CC..EExtended strand (participates in β ladder)trans-102.3132.4173.1-159.4-93.8000109.2V165 S166 V168 K172 V174 E175 S243 V252 Q253 K254V165-Y241 WeakPolarHBondContact CA-O 3.15Å; S166-Y241 PolarHBondContact N-O 3.13Å; S166-Y241 PolarHBondContact O-N 2.04Å; V168-Y241 HydrophobicContact CG1-CG 4.25Å; V168-Y241 HydrophobicContact CG2-CD2 4.24Å; V168-Y241 HydrophobicContact CG2-CG 4.47Å; K172-Y241 HydrophobicContact CG-CD2 4.28Å; K172-Y241 HydrophobicContact CG-CE2 4.28Å; V174-Y241 HydrophobicContact CG2-CE2 4.41Å; E175-Y241 PolarHBondContact N-OH 2.9Å; E175-Y241 VanDerWaalsContact N-OH 3.1Å; E175-Y241 PolarHBondContact O-OH 2.84Å; E175-Y241 VanDerWaalsContact O-OH 3.05Å; Y241-S243 WeakPolarHBondContact CE1-OG 3.42Å; Y241-V252 HydrophobicContact CE1-CG1 4.48Å; Y241-Q253 WeakPolarHBondContact CA-O 3.32Å; Y241-K254 HydrophobicContact CD2-CB 4.05Å; Y241-K254 HydrophobicContact CD2-CG 4.42Å; Y241-K254 HydrophobicContact CE2-CB 4.43Å
242I95.8Very high88.4Confident0 Ų050.9 Ų50.90%025%0.253CS..EExtended strand (participates in β ladder)trans-126.8123.9179.9-58.2166.7000107.8F124 I128 L135 I137 S164 V165 I240 V252 Q253F124-I242 HydrophobicContact CE1-CD1 4.21Å; F124-I242 HydrophobicContact CZ-CD1 3.93Å; I128-I242 HydrophobicContact CD1-CG2 3.8Å; L135-I242 HydrophobicContact CD2-CG2 4.26Å; I137-I242 HydrophobicContact CD1-CB 4.47Å; I137-I242 HydrophobicContact CD1-CD1 3.65Å; I137-I242 HydrophobicContact CD1-CG1 3.87Å; I137-I242 HydrophobicContact CD1-CG2 3.73Å; S164-I242 WeakPolarHBondContact O-CA 3.33Å; V165-I242 HydrophobicContact CG1-CG1 4.47Å; I240-I242 HydrophobicContact CG2-CD1 4.49Å; I240-I242 HydrophobicContact CG2-CG1 4.19Å; I242-V252 CarbonylContact O-C 3.6Å; I242-V252 WeakPolarHBondContact O-CA 3.49Å; I242-Q253 HydrophobicContact CB-CB 4.5Å; I242-Q253 PolarHBondContact N-O 3.13Å; I242-Q253 PolarHBondContact O-N 2.9Å
243S94.9Very high88.6Confident6 Ų652.7 Ų52.74%0.04226%0.257CS..EExtended strand (participates in β ladder)trans-111129169.7-58.60000109.5V163 S164 Y241V163-S243 WeakPolarHBondContact CA-O 3.23Å; S164-S243 PolarHBondContact N-O 3.1Å; S164-S243 PolarHBondContact O-N 3.44Å; S164-S243 WeakPolarHBondContact OG-CB 3.32Å; Y241-S243 WeakPolarHBondContact CE1-OG 3.42Å
244F95.8Very high89.3Confident1 Ų149.7 Ų49.70%0.00424%0.244CC..EExtended strand (participates in β ladder)trans-126.7114.6177.4179-81000108.6I128 T130 L133 L135 V163 K250 L251I128-F244 HydrophobicContact CB-CD2 3.98Å; I128-F244 HydrophobicContact CB-CE2 4.16Å; I128-F244 HydrophobicContact CD1-CB 4.44Å; I128-F244 HydrophobicContact CG2-CB 4.37Å; I128-F244 HydrophobicContact CG2-CD1 4.05Å; I128-F244 HydrophobicContact CG2-CD2 3.55Å; I128-F244 HydrophobicContact CG2-CE1 4.19Å; I128-F244 HydrophobicContact CG2-CE2 3.68Å; I128-F244 HydrophobicContact CG2-CG 3.74Å; I128-F244 HydrophobicContact CG2-CZ 4Å; T130-F244 HydrophobicContact CG2-CE1 3.56Å; T130-F244 HydrophobicContact CG2-CZ 3.7Å; L133-F244 HydrophobicContact CB-CE2 4.12Å; L133-F244 HydrophobicContact CB-CZ 3.7Å; L133-F244 HydrophobicContact CD2-CD2 4.09Å; L133-F244 HydrophobicContact CD2-CE1 4.27Å; L133-F244 HydrophobicContact CD2-CE2 3.62Å; L133-F244 HydrophobicContact CD2-CZ 3.72Å; L133-F244 HydrophobicContact CG-CE2 3.68Å; L133-F244 HydrophobicContact CG-CZ 3.78Å; L135-F244 HydrophobicContact CB-CD2 3.88Å; L135-F244 HydrophobicContact CB-CE2 3.88Å; L135-F244 HydrophobicContact CD2-CD2 3.85Å; V163-F244 HydrophobicContact CG1-CD2 4.24Å; F244-K250 CarbonylContact O-C 3.48Å; F244-K250 WeakPolarHBondContact O-CA 3.32Å; F244-L251 HydrophobicContact CB-CB 4.33Å; F244-L251 PolarHBondContact N-O 2.76Å; F244-L251 PolarHBondContact O-N 3.42Å
245Y94.8Very high90.4Very high40 Ų4045.9 Ų45.916%0.15722%0.219CC..EExtended strand (participates in β ladder)trans-125.686.3-178.4-73.1-68.8000110G161 N162 F176 D177 K250G161-Y245 CarbonylContact C-O 3.5Å; G161-Y245 WeakPolarHBondContact CA-O 3.4Å; N162-Y245 PolarHBondContact N-O 3.42Å; N162-Y245 PolarHBondContact O-N 3.02Å; F176-Y245 VanDerWaalsContact C-OH 3.22Å; F176-Y245 VanDerWaalsContact CA-OH 3.26Å; F176-Y245 WeakPolarHBondContact CA-OH 3.41Å; F176-Y245 HydrophobicContact CD1-CE1 4Å; D177-Y245 PolarHBondContact N-OH 3Å; D177-Y245 VanDerWaalsContact N-OH 3.08Å; D177-Y245 WeakPolarHBondContact O-CE2 3.06Å; D177-Y245 VanDerWaalsContact O-CZ 3.28Å; D177-Y245 PolarHBondContact O-OH 2.94Å; Y245-K250 HydrophobicContact CD1-CB 3.94Å; Y245-K250 HydrophobicContact CD1-CD 3.72Å; Y245-K250 HydrophobicContact CD1-CG 3.74Å; Y245-K250 HydrophobicContact CE1-CB 4.15Å; Y245-K250 HydrophobicContact CE1-CD 3.91Å; Y245-K250 HydrophobicContact CE1-CG 4.24Å
246S93.6Very high91.5Very high11 Ų1144.7 Ų44.78%0.07722%0.215CC..EExtended strand (participates in β ladder)trans-90.1178.1169.8-161.30000111.7K132 L133 Q160 D248 Y249K132-S246 WeakPolarHBondContact CB-OG 3.39Å; L133-S246 WeakPolarHBondContact CB-OG 3.48Å; Q160-S246 PolarHBondContact O-OG 2.85Å; S246-D248 WeakPolarHBondContact CB-OD1 3.04Å; S246-D248 PolarHBondContact OG-OD1 2.85Å; S246-Y249 WeakPolarHBondContact CA-O 3.24Å; S246-Y249 PolarHBondContact N-O 3.39Å
247T90.8Very high92.3Very high96 Ų9638.6 Ų38.659%0.58919%0.194SC*.SBendtrans-80.9-18.3176.552.60000112.9K132 Q160K132-T247 WeakPolarHBondContact CB-OG1 3.28Å; K132-T247 WeakPolarHBondContact CG-OG1 3.34Å; Q160-T247 HydrophobicContact CB-CG2 4.32Å
248D92.8Very high92.3Very high51 Ų5138.8 Ų38.827%0.27320%0.195SC..SBendtrans-99.5-44.1175.855.75.3000113.2T130 V131 K132 S246T130-D248 WeakPolarHBondContact CB-OD1 3.18Å; T130-D248 WeakPolarHBondContact CB-OD2 3.17Å; T130-D248 VanDerWaalsContact OG1-CG 3.29Å; T130-D248 PolarHBondContact OG1-OD1 3.33Å; T130-D248 PolarHBondContact OG1-OD2 2.92Å; T130-D248 VanDerWaalsContact OG1-OD2 3.05Å; V131-D248 PolarHBondContact N-OD2 3.14Å; K132-D248 HydrophobicContact CB-CB 4.44Å; K132-D248 HydrophobicContact CG-CB 3.93Å; K132-D248 WeakPolarHBondContact CG-OD2 3.02Å; K132-D248 PolarHBondContact N-OD2 2.89Å; S246-D248 WeakPolarHBondContact CB-OD1 3.04Å; S246-D248 PolarHBondContact OG-OD1 2.85Å
249Y94.3Very high91.8Very high161 Ų16140.1 Ų40.163%0.63120%0.2SC*.  trans-136.3157179-64-90.2000113.6T130 S246T130-Y249 HydrophobicContact CG2-CD2 3.92Å; T130-Y249 HydrophobicContact CG2-CG 4.34Å; S246-Y249 WeakPolarHBondContact CA-O 3.24Å; S246-Y249 PolarHBondContact N-O 3.39Å
250K94.7Very high91Very high120 Ų12046.4 Ų46.452%0.52223%0.233SC..EExtended strand (participates in β ladder)trans-123.7137.5173.2-54.3-178173.9-177.60108.9F176 F244 Y245F176-K250 HydrophobicContact CD1-CB 4.15Å; F176-K250 HydrophobicContact CE1-CB 3.77Å; F244-K250 CarbonylContact O-C 3.48Å; F244-K250 WeakPolarHBondContact O-CA 3.32Å; Y245-K250 HydrophobicContact CD1-CB 3.94Å; Y245-K250 HydrophobicContact CD1-CD 3.72Å; Y245-K250 HydrophobicContact CD1-CG 3.74Å; Y245-K250 HydrophobicContact CE1-CB 4.15Å; Y245-K250 HydrophobicContact CE1-CD 3.91Å; Y245-K250 HydrophobicContact CE1-CG 4.24Å
251L94.6Very high89.9Confident68 Ų6851.4 Ų51.436%0.35625%0.253SS..EExtended strand (participates in β ladder)trans-144.8136.9178.4-179.4152.9000109.7I128 F244 Q253I128-L251 HydrophobicContact CD1-CD2 3.92Å; F244-L251 HydrophobicContact CB-CB 4.33Å; F244-L251 PolarHBondContact N-O 2.76Å; F244-L251 PolarHBondContact O-N 3.42Å; L251-Q253 HydrophobicContact CD2-CB 3.98Å
252V94.4Very high88.6Confident23 Ų2355.3 Ų55.314%0.13927%0.271CS..EExtended strand (participates in β ladder)trans-125.1135.9169.5-74.70000109.3V174 F176 Y241 I242V174-V252 HydrophobicContact CG1-CB 4.12Å; V174-V252 HydrophobicContact CG1-CG2 3.58Å; F176-V252 HydrophobicContact CD1-CG1 4.01Å; F176-V252 HydrophobicContact CD1-CG2 3.95Å; F176-V252 HydrophobicContact CE1-CG1 4.27Å; F176-V252 HydrophobicContact CE1-CG2 3.82Å; F176-V252 HydrophobicContact CG-CG2 4.41Å; F176-V252 HydrophobicContact CZ-CG2 4.17Å; Y241-V252 HydrophobicContact CE1-CG1 4.48Å; I242-V252 CarbonylContact O-C 3.6Å; I242-V252 WeakPolarHBondContact O-CA 3.49Å
253Q93.3Very high87.1Confident78 Ų7857 Ų5736%0.36428%0.283SS..EExtended strand (participates in β ladder)trans-139.6129.8-176-172.6-17949.300110.7Y241 I242 L251 V255Y241-Q253 WeakPolarHBondContact CA-O 3.32Å; I242-Q253 HydrophobicContact CB-CB 4.5Å; I242-Q253 PolarHBondContact N-O 3.13Å; I242-Q253 PolarHBondContact O-N 2.9Å; L251-Q253 HydrophobicContact CD2-CB 3.98Å; Q253-V255 HydrophobicContact CG-CG2 3.91Å
254K92.8Very high85.7Confident24 Ų2463.9 Ų63.910%0.10432%0.319CS..EExtended strand (participates in β ladder)trans-112.5119.1170.1-177.4-179.365179.10109.6V168 P170 K172 V174 C239 I240 Y241 Y267V168-K254 HydrophobicContact CG2-CD 4.38Å; V168-K254 HydrophobicContact CG2-CG 4.4Å; P170-K254 PolarHBondContact O-NZ 3.22Å; K172-K254 WeakPolarHBondContact O-CD 3.5Å; K172-K254 WeakPolarHBondContact O-CE 3.46Å; K172-K254 PolarHBondContact O-NZ 3.19Å; V174-K254 HydrophobicContact CG2-CB 3.55Å; V174-K254 HydrophobicContact CG2-CD 4.41Å; C239-K254 HydrophobicContact CB-CD 4.26Å; C239-K254 HydrophobicContact CB-CG 3.81Å; I240-K254 CarbonylContact O-C 3.57Å; I240-K254 WeakPolarHBondContact O-CA 2.98Å; Y241-K254 HydrophobicContact CD2-CB 4.05Å; Y241-K254 HydrophobicContact CD2-CG 4.42Å; Y241-K254 HydrophobicContact CE2-CB 4.43Å; K254-Y267 PolarHBondContact O-OH 2.94Å
255V91.8Very high84.4Confident41 Ų4167.4 Ų67.425%0.24834%0.341CS..EExtended strand (participates in β ladder)trans-112.6125.6178.4-173.40000109.2F124 C239 I240 Q253 P257F124-V255 HydrophobicContact CE2-CB 4.47Å; F124-V255 HydrophobicContact CE2-CG1 4.32Å; F124-V255 HydrophobicContact CE2-CG2 4.44Å; C239-V255 CarbonylContact C-O 3.55Å; C239-V255 WeakPolarHBondContact CA-O 3.12Å; C239-V255 WeakPolarHBondContact CB-O 3.48Å; I240-V255 PolarHBondContact N-O 2.97Å; I240-V255 PolarHBondContact O-N 3.07Å; Q253-V255 HydrophobicContact CG-CG2 3.91Å; V255-P257 HydrophobicContact CG1-CG 4.28Å; V255-P257 WeakPolarHBondContact O-CD 3.48Å
256C90.5Very high82.9Confident16 Ų1669.4 Ų69.411%0.10836%0.359CS..  trans-122.180.6-177.7-57.40000110.7V237 C239 D258 Y259 Y267V237-C256 HydrophobicContact CG1-CB 4.21Å; C239-C256 HydrophobicContact CB-CB 4.06Å; C239-C256 WeakPolarHBondContact CB-SG 3.45Å; C239-C256 WeakPolarHBondContact SG-CB 3.28Å; C239-C256 CovalentContact SG-SG 2.03Å; C239-C256 PolarHBondContact SG-SG 2.97Å; C256-D258 PolarHBondContact O-N 3.02Å; C256-Y259 HydrophobicContact CB-CD2 4.31Å; C256-Y259 WeakPolarHBondContact O-CB 3.33Å; C256-Y259 PolarHBondContact O-N 3.4Å; C256-Y267 HydrophobicContact CB-CE2 4.23Å
257P85.1Confident81.2Confident54 Ų5472.3 Ų72.335%0.35137%0.368SS..THydrogen-bonded Turntrans-61.4-38.5-163.4-25.234.6000115.1W121 V255W121-P257 HydrophobicContact CB-CB 4.04Å; W121-P257 VanDerWaalsContact CD1-CB 3.48Å; W121-P257 HydrophobicContact CD2-CB 4.09Å; W121-P257 HydrophobicContact CD2-CG 3.94Å; W121-P257 HydrophobicContact CE3-CG 4.4Å; W121-P257 HydrophobicContact CG-CB 3.64Å; W121-P257 HydrophobicContact CG-CG 4.03Å; V255-P257 HydrophobicContact CG1-CG 4.28Å; V255-P257 WeakPolarHBondContact O-CD 3.48Å
258D81Confident79.8Confident14 Ų1475.5 Ų75.58%0.07538%0.375CS..THydrogen-bonded Turntrans-99.317.9-178.5-67-34000113.4F119 G120 W121 C256 N260 Y261 H262F119-D258 WeakPolarHBondContact CA-OD2 3.25Å; G120-D258 WeakPolarHBondContact CA-OD1 3.43Å; G120-D258 VanDerWaalsContact N-CG 3.35Å; G120-D258 PolarHBondContact N-OD1 2.89Å; G120-D258 PolarHBondContact N-OD2 3.31Å; G120-D258 VanDerWaalsContact N-OD2 3.14Å; W121-D258 VanDerWaalsContact CD1-CG 3.41Å; W121-D258 PolarHBondContact NE1-OD2 2.98Å; C256-D258 PolarHBondContact O-N 3.02Å; D258-N260 PolarHBondContact O-N 3.44Å; D258-Y261 PolarHBondContact O-N 3.2Å; D258-H262 PolarHBondContact O-CD2 2.96Å; D258-H262 PolarHBondContact O-N 2.96Å
259Y78.4Confident78.2Confident37 Ų3777.7 Ų77.715%0.14539%0.391CS..Hα-helixtrans-55.7-51.2-173.6-172.4-85.2000112.6P170 V237 C256 Y261 H262 S263 T265 Y267P170-Y259 HydrophobicContact CB-CD2 4.21Å; P170-Y259 HydrophobicContact CB-CE2 3.98Å; V237-Y259 HydrophobicContact CG1-CD2 4.09Å; V237-Y259 HydrophobicContact CG1-CG 4.5Å; V237-Y259 HydrophobicContact CG2-CD2 4.36Å; C256-Y259 HydrophobicContact CB-CD2 4.31Å; C256-Y259 WeakPolarHBondContact O-CB 3.33Å; C256-Y259 PolarHBondContact O-N 3.4Å; Y259-Y261 PolarHBondContact O-N 3.35Å; Y259-H262 PolarHBondContact O-N 3.2Å; Y259-S263 WeakPolarHBondContact O-CB 3.21Å; Y259-S263 PolarHBondContact O-N 2.92Å; Y259-T265 WeakPolarHBondContact CE1-O 3.39Å; Y259-T265 PolarHBondContact OH-OG1 3.19Å; Y259-Y267 AromaticContact CD1-CD2 3.86Å; Y259-Y267 HydrophobicContact CD1-CD2 3.86Å; Y259-Y267 HydrophobicContact CD1-CG 4.2Å; Y259-Y267 AromaticContact CD2-CD2 3.78Å; Y259-Y267 HydrophobicContact CD2-CD2 3.78Å; Y259-Y267 HydrophobicContact CD2-CE2 4.32Å; Y259-Y267 AromaticContact CE1-CD2 3.97Å; Y259-Y267 HydrophobicContact CE1-CD2 3.97Å; Y259-Y267 HydrophobicContact CE1-CG 4.35Å; Y259-Y267 AromaticContact CE2-CD2 3.92Å; Y259-Y267 HydrophobicContact CE2-CD2 3.92Å; Y259-Y267 AromaticContact CG-CD2 3.76Å; Y259-Y267 HydrophobicContact CG-CD2 3.76Å; Y259-Y267 HydrophobicContact CG-CG 4.44Å
260N72.8Confident76.2Confident132 Ų13273.3 Ų73.371%0.70639%0.385SS*.Hα-helixtrans-70.5-9.1-179.9-60.3-22.4000114D258D258-N260 PolarHBondContact O-N 3.44Å
261Y70.8Confident73.8Confident105 Ų10573.9 Ų73.941%0.41243%0.425SS..Hα-helixtrans-90.1-25.5177.4-174.7-100.6000112.4V110 K116 D258 Y259V110-Y261 HydrophobicContact CG2-CE2 4.2Å; K116-Y261 WeakPolarHBondContact CE-OH 3.3Å; D258-Y261 PolarHBondContact O-N 3.2Å; Y259-Y261 PolarHBondContact O-N 3.35Å
262H68.4Low72.7Confident84 Ų8474.2 Ų74.239%0.38943%0.428SS..Hα-helixtrans-118.7-5.2-178.5-58.9-79.3000114.3V237 D258 Y259V237-H262 HydrophobicContact CG2-CB 3.64Å; D258-H262 PolarHBondContact O-CD2 2.96Å; D258-H262 PolarHBondContact O-N 2.96Å; Y259-H262 PolarHBondContact O-N 3.2Å
263S64Low71.6Confident35 Ų3576.9 Ų76.925%0.24544%0.443CS..  trans-125.1126.5174.7-149.20000110.9Y259 T265Y259-S263 WeakPolarHBondContact O-CB 3.21Å; Y259-S263 PolarHBondContact O-N 2.92Å; S263-T265 VanDerWaalsContact C-N 3.25Å; S263-T265 PolarHBondContact OG-OG1 3.01Å
264D65Low70.4Confident150 Ų15076.8 Ų76.880%0.80245%0.448SS*.SBendtrans-78.7-10.3171.1-68.7-57.2000111.9
265T69.5Low69.1Low76 Ų7679.9 Ų79.947%0.46647%0.468SS..SBendtrans-76.9139.8173.657.40000111.1Y259 S263Y259-T265 WeakPolarHBondContact CE1-O 3.39Å; Y259-T265 PolarHBondContact OH-OG1 3.19Å; S263-T265 VanDerWaalsContact C-N 3.25Å; S263-T265 PolarHBondContact OG-OG1 3.01Å
266P61.9Low67.6Low82 Ų8282.4 Ų82.453%0.53248%0.481SS..  trans-63.6138.5172.324.8-32000111.5F268P266-F268 HydrophobicContact CB-CE2 4.4Å; P266-F268 HydrophobicContact CB-CZ 4.41Å; P266-F268 HydrophobicContact CG-CE2 3.71Å; P266-F268 HydrophobicContact CG-CZ 3.81Å; P266-F268 PolarHBondContact O-N 2.9Å
267Y59Low66.1Low71 Ų7186.8 Ų86.828%0.27851%0.506SS..  trans-72.9110.4172.3-175.3-102.6000109.8K254 C256 Y259 P269K254-Y267 PolarHBondContact O-OH 2.94Å; C256-Y267 HydrophobicContact CB-CE2 4.23Å; Y259-Y267 AromaticContact CD1-CD2 3.86Å; Y259-Y267 HydrophobicContact CD1-CD2 3.86Å; Y259-Y267 HydrophobicContact CD1-CG 4.2Å; Y259-Y267 AromaticContact CD2-CD2 3.78Å; Y259-Y267 HydrophobicContact CD2-CD2 3.78Å; Y259-Y267 HydrophobicContact CD2-CE2 4.32Å; Y259-Y267 AromaticContact CE1-CD2 3.97Å; Y259-Y267 HydrophobicContact CE1-CD2 3.97Å; Y259-Y267 HydrophobicContact CE1-CG 4.35Å; Y259-Y267 AromaticContact CE2-CD2 3.92Å; Y259-Y267 HydrophobicContact CE2-CD2 3.92Å; Y259-Y267 AromaticContact CG-CD2 3.76Å; Y259-Y267 HydrophobicContact CG-CD2 3.76Å; Y259-Y267 HydrophobicContact CG-CG 4.44Å; Y267-P269 HydrophobicContact CD1-CB 4.49Å; Y267-P269 HydrophobicContact CE1-CB 4Å; Y267-P269 VanDerWaalsContact O-CD 3.31Å; Y267-P269 WeakPolarHBondContact O-CD 3.41Å
268F59.9Low64.8Low164 Ų16489.1 Ų89.172%0.71952%0.517SS*.  trans-91.3110.6168.1-65.4-73.4000109.1P266 S270P266-F268 HydrophobicContact CB-CE2 4.4Å; P266-F268 HydrophobicContact CB-CZ 4.41Å; P266-F268 HydrophobicContact CG-CE2 3.71Å; P266-F268 HydrophobicContact CG-CZ 3.81Å; P266-F268 PolarHBondContact O-N 2.9Å; F268-S270 PolarHBondContact O-N 3.49Å
269P59.3Low63.5Low96 Ų9694.9 Ų94.962%0.62355%0.551SS**  trans-6998.1169.228.2-31.7000108.8Y267 G271Y267-P269 HydrophobicContact CD1-CB 4.49Å; Y267-P269 HydrophobicContact CE1-CB 4Å; Y267-P269 VanDerWaalsContact O-CD 3.31Å; Y267-P269 WeakPolarHBondContact O-CD 3.41Å; P269-G271 PolarHBondContact O-N 3.5Å
270S52.5Low62.3Low70 Ų7099.8 Ų99.849%0.4959%0.585SS.*  trans-81.596.516858.30000108.8F268F268-S270 PolarHBondContact O-N 3.49Å
271G44.2Very low61.3Low132 Ų13296.8 Ų96.8100%1.36157%0.574SS**  trans168.30-17900000111.2P269P269-G271 PolarHBondContact O-N 3.5Å

Retrieved 271 of 271 residues in 94.5 ms (Link to these results)