A0A096LY96_POEFO Loading...

SH2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A096LY96, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 356 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
1Q35.7Very low40.8Very low233 Ų233177.9 Ų177.9100%1.08981%0.806SS**  0116.50-168.3174.91200106
2D36.4Very low41Very low117 Ų117177.9 Ų177.963%0.62681%0.808SS**  trans59.2148.2163-78.1-23.4000120.4
3R39.1Very low40.8Very low201 Ų201173.5 Ų173.576%0.75880%0.802SS**  cis-160.6159.5-18.4-146.4175.9-80.4175.33.3109.3
4F43.5Very low40.4Very low167 Ų167168.9 Ų168.973%0.73280%0.798SS**  trans-23.5151.3164.5-82.3-107.6000119.4
5R42.9Very low40.4Very low248 Ų248162 Ų16294%0.93679%0.79SS**  -164144.7119.1-108.6168.6-174.1-175.80.3114.4
6E49.6Very low40.4Very low157 Ų157159.7 Ų159.773%0.73478%0.782SS**  trans-107.2157.2174.4-59.8160.2104.500110.5
7D40.6Very low40.4Very low151 Ų151161.1 Ų161.181%0.80778%0.784SS**  trans-164.4115.2145.1-99-35.7000106.9
8R45Very low40.3Very low209 Ų209163.2 Ų163.279%0.78979%0.791SS**  72.310169.8-72.8-172173.7-163-0.2115.8
9N39.2Very low40.7Very low153 Ų153158.3 Ų158.382%0.81879%0.788SS**  trans50.7132.3133.2-57-22.6000120.8
10R39.3Very low40.8Very low240 Ų240159.9 Ų159.991%0.90679%0.793SS**  166.8122.189.4-172170.4-161.7179.44.7114.9
11A37.8Very low41.3Very low81 Ų81160.7 Ų160.767%0.66980%0.797SS**  trans36.1136.4145.500000124
12Q43Very low42Very low178 Ų178157.1 Ų157.183%0.83278%0.78SS**  -172.4124.2118.9-101.4168.5-8.100108.5
13T38.8Very low42.9Very low120 Ų120157 Ų15774%0.73679%0.786SS**  80.2135.880.4-66.70000112.3
14C35Very low43.8Very low110 Ų110155.4 Ų155.474%0.74379%0.787SS**  cis-168172.8-15.7-96.80000107.6
15G40.6Very low43.9Very low65 Ų65157.9 Ų157.967%0.6779%0.793SS**  trans131.685.9176.900000112.3
16D39.7Very low44.9Very low125 Ų125153.6 Ų153.667%0.66879%0.789SS**  cis63.2129.446.7-61.49.1000112.1
17F40.1Very low45.6Very low184 Ų184152.5 Ų152.581%0.80779%0.792SS**  cis-160.3145.1-9.3-106.4-66000107.7
18E39Very low46.4Very low198 Ų198151.2 Ų151.293%0.92579%0.789SS**  trans169.8135.7146.7-100.1171.9-169.700107.3
19G47.5Very low47Very low70 Ų70146.7 Ų146.772%0.72278%0.781SS**  cis154.144.55.100000111.3
20E43.9Very low47.9Very low191 Ų191146.5 Ų146.589%0.89378%0.78SS**  trans-116.7139-179.7-79.9-66.3165.500111.1
21M51Low48.7Very low176 Ų176142.4 Ų142.487%0.86777%0.771SS**  trans-85.7147.1-164.3-179.8174.5-82.700111.7
22E49.2Very low49.8Very low159 Ų159146.7 Ų146.774%0.74378%0.777SS**  trans-61162.3173.8-66.5-15914900112.4
23P56.3Low50.7Low115 Ų115145.5 Ų145.575%0.74777%0.772SS**  -110.4115.2121.630.5-32000111.3
24E58.5Low51.8Low166 Ų166145 Ų14578%0.77677%0.768SS**  trans-49.1132.6160.9-175.5172.1-171.500109D26E24-D26 PolarHBondContact O-N 3.21Å
25Y45.6Very low52.9Low220 Ų220146.5 Ų146.586%0.86376%0.764SS**  trans-73.6114.5-177.8-77.4-98.8000110V27Y25-V27 PolarHBondContact O-N 3.17Å
26D63.4Low53.8Low158 Ų158148 Ų14885%0.84576%0.764SS**  trans-55109.6167-93.7-37.3000109.7E24 V28E24-D26 PolarHBondContact O-N 3.21Å; D26-V28 PolarHBondContact O-N 3.47Å; D26-V28 VanDerWaalsContact O-N 3.11Å
27V63.8Low55.1Low134 Ų134147.6 Ų147.681%0.81277%0.766SS**  trans-72.4102.4165.7178.60000106.5Y25 D29Y25-V27 PolarHBondContact O-N 3.17Å; V27-D29 PolarHBondContact O-N 2.94Å
28V58.6Low56.5Low123 Ų123148.4 Ų148.475%0.74576%0.764SS**  trans-61.8111.5177.6-162.20000108.4D26 D30D26-V28 PolarHBondContact O-N 3.47Å; D26-V28 VanDerWaalsContact O-N 3.11Å; V28-D30 PolarHBondContact O-N 3.45Å
29D56.4Low58Low114 Ų114146.3 Ų146.361%0.6176%0.757SS**  trans-69.899.4176.9-172.617.3000109V27 Q31V27-D29 PolarHBondContact O-N 2.94Å; D29-Q31 PolarHBondContact O-N 3.48Å; D29-Q31 WeakPolarHBondContact OD2-CG 3.49Å; D29-Q31 PolarHBondContact OD2-NE2 3.17Å
30D59.3Low59.3Low150 Ų150150.9 Ų150.980%0.80276%0.758SS**  trans-74.760.9178.151-49.2000111.8V28 E32V28-D30 PolarHBondContact O-N 3.45Å; D30-E32 VanDerWaalsContact C-N 3.3Å; D30-E32 PolarHBondContact O-N 3.21Å
31Q55.9Low60.8Low154 Ų154147.3 Ų147.372%0.7275%0.751SS**  trans-64.892.4163-63.5-167.823.200109D29 E33D29-Q31 PolarHBondContact O-N 3.48Å; D29-Q31 WeakPolarHBondContact OD2-CG 3.49Å; D29-Q31 PolarHBondContact OD2-NE2 3.17Å; Q31-E33 VanDerWaalsContact C-N 3.26Å; Q31-E33 PolarHBondContact O-N 3.05Å
32E60.3Low61.6Low170 Ų170143.6 Ų143.679%0.79475%0.748SS**  trans-63.685.8171.8-165.5-175.3-165.500109.3D30 V34D30-E32 VanDerWaalsContact C-N 3.3Å; D30-E32 PolarHBondContact O-N 3.21Å; E32-V34 HydrophobicContact CG-CG2 3.98Å; E32-V34 WeakPolarHBondContact O-CG2 3.36Å; E32-V34 PolarHBondContact O-N 3.43Å
33E62Low62.6Low154 Ų154147 Ų14772%0.7275%0.754SS**  trans-71.284.9174.5-164.8176.8-159.300109Q31 H35Q31-E33 VanDerWaalsContact C-N 3.26Å; Q31-E33 PolarHBondContact O-N 3.05Å; E33-H35 VanDerWaalsContact C-N 3.26Å; E33-H35 PolarHBondContact O-N 3.05Å; E33-H35 IonicContact OE2-CE1 3.89Å
34V61.1Low62.9Low108 Ų108147.2 Ų147.266%0.65576%0.756SS**  trans-67.682.7-177.9-1680000110.2E32 S36E32-V34 HydrophobicContact CG-CG2 3.98Å; E32-V34 WeakPolarHBondContact O-CG2 3.36Å; E32-V34 PolarHBondContact O-N 3.43Å; V34-S36 PolarHBondContact O-N 3.41Å
35H58.2Low63Low143 Ų143146.9 Ų146.966%0.66276%0.758SS**  trans-58.7100169.1-72.3-32.5000109.4E33 V37E33-H35 VanDerWaalsContact C-N 3.26Å; E33-H35 PolarHBondContact O-N 3.05Å; E33-H35 IonicContact OE2-CE1 3.89Å; H35-V37 VanDerWaalsContact C-N 3.28Å; H35-V37 PolarHBondContact O-N 2.82Å
36S60.8Low63.7Low95 Ų95143.5 Ų143.566%0.66475%0.754SS**  trans-7280.3179.958.90000111.3V34 R38V34-S36 PolarHBondContact O-N 3.41Å; S36-R38 PolarHBondContact O-N 3.5Å
37V66.4Low63.4Low118 Ų118143.1 Ų143.172%0.71575%0.752SS**  trans-64.595.4179.4-176.30000110.2H35 I39H35-V37 VanDerWaalsContact C-N 3.28Å; H35-V37 PolarHBondContact O-N 2.82Å; V37-I39 HydrophobicContact CG1-CG1 4.02Å; V37-I39 PolarHBondContact O-N 2.88Å; V37-I39 VanDerWaalsContact O-N 3.15Å
38R70.2Confident63Low201 Ų201145.3 Ų145.376%0.75875%0.754SS**  trans-79.492.2172.3-69.2-174.7178.7-167.5-0.3110S36 F40S36-R38 PolarHBondContact O-N 3.5Å; R38-F40 HydrophobicContact CB-CE2 4.32Å; R38-F40 WeakPolarHBondContact O-CD2 3.4Å; R38-F40 PolarHBondContact O-N 3.34Å
39I69.6Low63Low154 Ų154151 Ų15179%0.7976%0.762SS**  trans-70.2113.5171.5-54.2178.3000108.6V37V37-I39 HydrophobicContact CG1-CG1 4.02Å; V37-I39 PolarHBondContact O-N 2.88Å; V37-I39 VanDerWaalsContact O-N 3.15Å
40F74.9Confident63Low166 Ų166154.7 Ų154.773%0.72878%0.776SS**PPolyproline II helixtrans-82.9148.2171.8-71.1-84.6000110.8R38R38-F40 HydrophobicContact CB-CE2 4.32Å; R38-F40 WeakPolarHBondContact O-CD2 3.4Å; R38-F40 PolarHBondContact O-N 3.34Å
41P74.4Confident62.1Low115 Ų115158.6 Ų158.675%0.74778%0.78SS**PPolyproline II helixtrans-61145.9170.227.2-34.3000110.5R43P41-R43 PolarHBondContact O-N 3.47Å
42A68.1Low61.4Low99 Ų99155.2 Ų155.282%0.81878%0.779SS**PPolyproline II helixtrans-56.2133.9177.200000110.7
43R70.3Confident60.7Low230 Ų230152.6 Ų152.687%0.86878%0.775SS**PPolyproline II helixtrans-65.7139173.4-66.4-177.4179.5-178.10.3108.9P41 I45P41-R43 PolarHBondContact O-N 3.47Å; R43-I45 PolarHBondContact O-N 3.33Å
44P63.1Low59.7Low120 Ų120151.2 Ų151.278%0.77978%0.78SS**PPolyproline II helixtrans-62.5127.7172.626.7-33.1000109.4N46P44-N46 PolarHBondContact O-N 3.44Å
45I60.7Low58.7Low159 Ų159151.4 Ų151.482%0.81578%0.782SS**  trans-74.3110.7172.3-60.1170.1000106.3R43R43-I45 PolarHBondContact O-N 3.33Å
46N59.5Low57.5Low148 Ų148150.3 Ų150.379%0.79179%0.79SS**  trans-11055.1179.8-168.482.3000110.5P44P44-N46 PolarHBondContact O-N 3.44Å
47D57.3Low56.3Low150 Ų150151.6 Ų151.680%0.80280%0.796SS**  trans-127.365.4171-76.9-52.6000109.3R49D47-R49 PolarHBondContact O-N 3.41Å
48E56.6Low54.7Low181 Ų181155.9 Ų155.985%0.84681%0.806SS**  trans-84.398159.2-77.6-168.417400109.8
49R58.8Low52.8Low241 Ų241151.6 Ų151.691%0.90981%0.807SS**  trans-163.4148.3136-92.7129.2-143.2-94.42.3109.1D47D47-R49 PolarHBondContact O-N 3.41Å
50E54.9Low51.2Low193 Ų193152.2 Ų152.290%0.90281%0.806SS**  trans73.749.4173.2-151.7157.1-128.700117
51Y42.3Very low49.2Very low231 Ų231154.2 Ų154.291%0.90682%0.815SS**  trans-77.8120.1139.4-108.1-88.9000108.6V53Y51-V53 PolarHBondContact O-N 2.82Å
52A40.8Very low47.1Very low84 Ų84151.9 Ų151.969%0.69481%0.812SS**  trans-67.5104.7174.600000110.2C54A52-C54 PolarHBondContact O-N 3.36Å
53V44.3Very low45.4Very low115 Ų115155.2 Ų155.270%0.69781%0.814SS**  trans-72.795171.5-179.50000108.3Y51 T55Y51-V53 PolarHBondContact O-N 2.82Å; V53-T55 HydrophobicContact CG1-CG2 4.04Å; V53-T55 WeakPolarHBondContact CG1-OG1 3.23Å; V53-T55 PolarHBondContact O-N 2.9Å
54C40.9Very low43.8Very low124 Ų124152.2 Ų152.284%0.83882%0.815SS**  trans-72.964.3169.9-80.80000111.7A52A52-C54 PolarHBondContact O-N 3.36Å
55T40.3Very low42.2Very low113 Ų113154.5 Ų154.569%0.69382%0.82SS**  trans-116.572.615961.40000108.7V53V53-T55 HydrophobicContact CG1-CG2 4.04Å; V53-T55 WeakPolarHBondContact CG1-OG1 3.23Å; V53-T55 PolarHBondContact O-N 2.9Å
56S32.5Very low41.1Very low119 Ų119155.2 Ų155.283%0.83283%0.825SS**PPolyproline II helixtrans-80123162.8-74.80000108.8
57P37.2Very low39.6Very low122 Ų122151.7 Ų151.779%0.79282%0.824SS**PPolyproline II helixtrans-74.7168.8178.732-35.4000111.8
58F32.3Very low38.6Very low208 Ų208150.1 Ų150.191%0.91283%0.825SS**PPolyproline II helixtrans-49.8142.2174.4-91.6-108.5000113.4
59S31.1Very low37.4Very low111 Ų111149.1 Ų149.178%0.77682%0.823SS**PPolyproline II helixtrans-59.5140.9165.1-176.50000111.2
60Q35.4Very low36.5Very low167 Ų167142.3 Ų142.378%0.7882%0.819SS**  trans-75.5177.9169.7-71.6-179.5-23.300112.6
61F33.5Very low35.4Very low208 Ų208138.4 Ų138.491%0.91281%0.808SS**  trans98.5110.6177-57.9-63.5000113.9
62G30.1Very low35.2Very low67 Ų67132.5 Ų132.569%0.69180%0.8SS**  cis-162.9161.3-8.200000107.5
63I30.8Very low34.9Very low168 Ų168137.5 Ų137.586%0.86281%0.807SS**  -174.6143.487.9-86.5157.3000107.6
64L36.8Very low34.5Very low168 Ų168137.6 Ų137.688%0.8881%0.81SS**  trans-74.4131.1167.7-65164.7000110.1
65N30.7Very low34.4Very low167 Ų167139.1 Ų139.189%0.89381%0.809SS**  trans-152.5153.1137.3-136.1-15.5000114
66L36.2Very low34Very low174 Ų174137.2 Ų137.291%0.91181%0.813SS**  trans-93.9139.5-170.4-16377.5000110.6
67G30Very low34.3Very low75 Ų75139.9 Ų139.977%0.77381%0.812SS**  trans156113168.500000115.2
68S35.3Very low34.2Very low117 Ų117142.2 Ų142.282%0.81882%0.817SS**  trans-67.5152175.5-46.40000113.1
69I31.2Very low34.5Very low159 Ų159138 Ų13882%0.81581%0.81SS**  -169134.2122.8-94148.5000108.3V71I69-V71 HydrophobicContact CG2-CG2 4.21Å
70A39.6Very low34.7Very low99 Ų99138 Ų13882%0.81881%0.809SS**  trans-88.9135.9174.100000110.4
71V31.7Very low34.8Very low111 Ų111135.3 Ų135.367%0.67381%0.806SS**  trans-135.9117.4159.3-175.40000108.8I69 F73I69-V71 HydrophobicContact CG2-CG2 4.21Å; V71-F73 HydrophobicContact CG1-CD2 3.99Å; V71-F73 HydrophobicContact CG1-CE2 3.51Å; V71-F73 HydrophobicContact CG1-CZ 4.25Å
72S39.2Very low34.9Very low107 Ų107134 Ų13475%0.74880%0.802SS**  trans-81.4137.317450.50000111.5
73F33.5Very low35.2Very low189 Ų189140.4 Ų140.483%0.82981%0.807SS**  trans-138.3142155.1-77.5-70.1000111.2V71V71-F73 HydrophobicContact CG1-CD2 3.99Å; V71-F73 HydrophobicContact CG1-CE2 3.51Å; V71-F73 HydrophobicContact CG1-CZ 4.25Å
74P37Very low35.9Very low116 Ų116138.7 Ų138.775%0.75381%0.805SS**  trans-102.5162.1-170.240-35.7000114.4
75D38.6Very low36.3Very low156 Ų156138.7 Ų138.783%0.83480%0.798SS**  trans36.6128.6143.3-137.8-13000121.3
76G31.7Very low37.1Very low74 Ų74136.4 Ų136.476%0.76379%0.792SS**  trans-178.495179.800000112.1
77Q38.3Very low37.9Very low175 Ų175134.4 Ų134.482%0.81879%0.787SS**  trans-66.9144.9-171.8-62.2170.65.600114.5
78L35.4Very low38.9Very low170 Ų170136.3 Ų136.389%0.8978%0.783SS**  trans-136.4145.7145.8-76.3177.9000110.1
79P37.9Very low39.8Very low119 Ų119136.3 Ų136.377%0.77377%0.774SS**PPolyproline II helixtrans-98.1140.1-164.39.710.7000113.4
80C36.8Very low41.1Very low111 Ų111138.9 Ų138.975%0.7577%0.774SS**PPolyproline II helixtrans-83.5131.2168.2-68.40000110.9H82C80-H82 PolarHBondContact O-N 2.88Å
81P36.5Very low41.9Very low112 Ų112141.2 Ų141.273%0.72777%0.772SS**PPolyproline II helixtrans-75.1119.9175.629-32.4000111.2Y83P81-Y83 PolarHBondContact O-N 3.37Å
82H36.6Very low43.1Very low180 Ų180142.9 Ų142.983%0.83378%0.776SS**PPolyproline II helixtrans-72.9119.6175.3-73.1-97.6000111.4C80 T84C80-H82 PolarHBondContact O-N 2.88Å; H82-T84 PolarHBondContact O-N 3.16Å
83Y36.1Very low43.6Very low202 Ų202146.4 Ų146.479%0.79278%0.778SS**  trans-80.1101165.6-88.1-94.5000110.3P81 F85P81-Y83 PolarHBondContact O-N 3.37Å; Y83-F85 PolarHBondContact O-N 3.08Å
84T45.7Very low44.1Very low132 Ų132143.7 Ų143.781%0.8178%0.779SS**  trans-82.2108.6172.3-50.80000110.1H82H82-T84 PolarHBondContact O-N 3.16Å
85F45.3Very low44.8Very low168 Ų168141.8 Ų141.874%0.73778%0.78SS**PPolyproline II helixtrans-75.5148.9172.9-67.3-87.1000111.6Y83Y83-F85 PolarHBondContact O-N 3.08Å
86P46.5Very low45.3Very low119 Ų119144.5 Ų144.577%0.77378%0.779SS**PPolyproline II helixtrans-66.3134.5-178.1-20.132.7000113.2V88P86-V88 PolarHBondContact O-N 3.03Å
87V53.9Low46.3Very low131 Ų131152.6 Ų152.679%0.79479%0.786SS**PPolyproline II helixtrans-72.7120174.4175.70000110
88V50.9Low46.8Very low116 Ų116152.3 Ų152.370%0.70378%0.783SS**  trans-83113.3173.7170.60000110P86 R90P86-V88 PolarHBondContact O-N 3.03Å; V88-R90 WeakPolarHBondContact O-CG 3.2Å; V88-R90 PolarHBondContact O-N 3.5Å
89N52.6Low47.1Very low117 Ų117151 Ų15163%0.62678%0.781SS**  trans-64.4112.8173.1-70.1-23.1000110.4D91N89-D91 VanDerWaalsContact C-N 3.32Å
90R59.5Low47.5Very low212 Ų212154.7 Ų154.780%0.879%0.785SS**G310 helixtrans-85-7.5-174.7-56.9179.396.3107.7-6.4113V88 I92V88-R90 WeakPolarHBondContact O-CG 3.2Å; V88-R90 PolarHBondContact O-N 3.5Å; R90-I92 PolarHBondContact O-N 3.42Å
91D56.4Low47.8Very low149 Ų149155.5 Ų155.580%0.79779%0.789SS**G310 helixtrans-87.9-3.2-165.3-52.5-64.3000114.9N89N89-D91 VanDerWaalsContact C-N 3.32Å
92I56.9Low47.8Very low146 Ų146156.6 Ų156.675%0.74979%0.789SS**G310 helixtrans-96.910.8179.4-42.2169.5000111.2R90 P94R90-I92 PolarHBondContact O-N 3.42Å; I92-P94 WeakPolarHBondContact O-CD 3.47Å
93K49.2Very low47.8Very low181 Ų181157.6 Ų157.679%0.78779%0.785SS**  trans-76117.6173.9-95.5-170.6172.8-172.90111G95K93-G95 PolarHBondContact O-N 3.49Å
94P44.7Very low47.6Very low132 Ų132158.6 Ų158.686%0.85779%0.787SS**THydrogen-bonded Turntrans-67.2135.1175.128.7-33.6000110.2I92I92-P94 WeakPolarHBondContact O-CD 3.47Å
95G52.3Low47.9Very low75 Ų75157.9 Ų157.977%0.77379%0.785SS**THydrogen-bonded Turntrans133.2-1716900000117K93 R97K93-G95 PolarHBondContact O-N 3.49Å; G95-R97 PolarHBondContact O-N 2.93Å; G95-R97 VanDerWaalsContact O-N 3.15Å
96R48.3Very low47.7Very low213 Ų213155.6 Ų155.680%0.80479%0.787SS**  trans-89.780.5-174.7-153.5175.9-158.4-148.35.3113.7K98R96-K98 PolarHBondContact O-N 3.05Å
97R52.9Low47.4Very low245 Ų245155.4 Ų155.493%0.92579%0.786SS**  trans-57.2134.1168.9-68.6-179174.6177.8-1.7110.7G95G95-R97 PolarHBondContact O-N 2.93Å; G95-R97 VanDerWaalsContact O-N 3.15Å
98K49.3Very low46.5Very low169 Ų169155 Ų15574%0.73578%0.784SS**  trans-121.2129173.4-82.7-77.1-172.2168.20109.9R96R96-K98 PolarHBondContact O-N 3.05Å
99V39.8Very low45.6Very low141 Ų141157.7 Ų157.786%0.85579%0.788SS**  trans-81.6138.8-177.4173.90000110.2
100K46.5Very low45Very low198 Ų198157.4 Ų157.486%0.86179%0.793SS**  trans-81.8151.1170.9-68.6-176.8175.9-177.10111.4
101P44.8Very low43.6Very low128 Ų128155.7 Ų155.783%0.83179%0.794SS**  trans-106.7167.1140.233.4-25.5000111.8
102D35.2Very low42.4Very low135 Ų135156.3 Ų156.372%0.72279%0.792SS**  trans-122.1172-159.9178.336.7000113.1
103R37.3Very low41.2Very low201 Ų201157.6 Ų157.676%0.75880%0.795SS**  trans78.8135.4164.3-84.9157.1-174.6-148.1-6.1118.1
104R30.9Very low40.2Very low222 Ų222154.7 Ų154.784%0.83879%0.792SS**  cis-141164.910.6-78.3-176.4-172.3154.74.3113
105P52.2Low39.5Very low117 Ų117155.1 Ų155.176%0.7679%0.787SS**  trans-100.1167.4-176.341.5-36.9000114.5
106P42.5Very low38.5Very low121 Ų121160.9 Ų160.979%0.78679%0.793SS**  -150.9-168.69540.7-22.6000113.9
107P39.2Very low37.7Very low114 Ų114155.9 Ų155.974%0.7479%0.791SS**  cis-125.2156.4-4934.8-19.5000114.7
108V35.6Very low36.6Very low124 Ų124155.6 Ų155.675%0.75279%0.79SS**  trans15.6122.4146.9-171.10000120.5
109E32.3Very low35.6Very low172 Ų172159 Ų15980%0.80480%0.798SS**  -162.6157.8115.8-93.8-64108.400107.9
110P39.9Very low35.1Very low111 Ų111156.8 Ų156.872%0.72179%0.789SS**  trans-93.7163.4-150.735.3-37.3000117.9
111E30.4Very low34.5Very low175 Ų175152.4 Ų152.482%0.81878%0.784SS**  trans-78.5155178.1-80.3-17914400114.9
112E30.8Very low33.9Very low163 Ų163152.1 Ų152.176%0.76278%0.784SS**  trans39.8132.8147.5-59.8-163.1130.500119.8
113Q30.1Very low34Very low173 Ų173151.6 Ų151.681%0.80879%0.789SS**  -162.914871-87.6175.6-0.900114
114V29.5Very low34Very low119 Ų119150.1 Ų150.172%0.72180%0.795SS**  trans16.9113.2138.1-172.20000116.8
115N30.3Very low35.2Very low142 Ų142145 Ų14576%0.75979%0.79SS**  trans177.5114.9130.6-94.4-45000113
116H31.5Very low34.5Very low195 Ų195145.5 Ų145.590%0.90379%0.794SS**  trans-127.583.9163-71.8-23.5000110.7
117S31.2Very low34.2Very low109 Ų109145 Ų14576%0.76279%0.793SS**  trans-64.4128.1155.1-800000108.3
118R29.7Very low35Very low239 Ų239144.7 Ų144.790%0.90279%0.791SS**  57.889.566.1-71-162.4177.1-133.92114.7
119R27.9Very low34.9Very low240 Ų240146.7 Ų146.791%0.90680%0.796SS**  trans-163.7138.6144.9-97.7-159.6176.5-150.8-1.5106
120S29.9Very low34.9Very low95 Ų95145.3 Ų145.366%0.66480%0.795SS**  cis-160.9164.5-5.8-62.10000104.7
121S32.4Very low34.6Very low106 Ų106146.3 Ų146.374%0.74180%0.799SS**  cis-173.9147.2-6.533.80000107.2
122S32.2Very low34.6Very low121 Ų121142.4 Ų142.485%0.84679%0.79SS**  trans-145.3131.5165.4-53.40000109.4
123P39.1Very low34.9Very low125 Ų125141 Ų14181%0.81279%0.788SS**  trans-100.9157.517436.3-30.2000112.9
124L36.3Very low35.3Very low169 Ų169140.8 Ų140.889%0.88579%0.793SS**  trans-125.3-173.3169.7-68164000108.2
125P55.4Low35.5Very low115 Ų115143.1 Ų143.175%0.74780%0.8SS**  -105.1-170.8-94.137.3-20.2000112.4
126P38Very low35.8Very low128 Ų128141 Ų14183%0.83180%0.802SS**  -150.2176.9101.138.4-20.3000116
127S35.9Very low35.8Very low110 Ų110134.9 Ų134.977%0.76979%0.792SS**  trans-103.4-167.8174.1560000111.4
128P56.8Low36.1Very low107 Ų107137.7 Ų137.770%0.69580%0.798SS**  -123.4162.7-50.334.7-21.5000112.5
129L32.6Very low36.2Very low166 Ų166130.3 Ų130.387%0.86979%0.787SS**  trans-175.6172.9141.8-12872.5000114.3
130D33.3Very low36.5Very low144 Ų144125.3 Ų125.377%0.7778%0.783SS**  trans-55.3177.3-177.4-82.3-66.7000119.7
131V33.1Very low36.7Very low132 Ų132132.7 Ų132.780%0.880%0.797SS**  trans11987.1149.2-172.70000116.1
132S31.3Very low36.9Very low92 Ų92136.1 Ų136.164%0.64380%0.801SS**  74.9137.1121-148.70000123
133N36.1Very low36.7Very low134 Ų134136.7 Ų136.772%0.71780%0.799SS**  trans65.4118.2155.8-64-23.9000120
134N39.6Very low36.1Very low169 Ų169136 Ų13690%0.90480%0.796SS**  -159.8151.487.7-92.8-52.4000114
135L32.6Very low35.8Very low167 Ų167139.5 Ų139.587%0.87480%0.798SS**  trans-104.1137.6-171.1166.776.2000110.9
136A36.7Very low34.5Very low98 Ų98138.3 Ų138.381%0.8179%0.792SS**  trans-177.1132.5143.700000114.2
137G31.9Very low33.9Very low66 Ų66140 Ų14068%0.6879%0.789SS**  trans7581.1153.800000117.8
138L36.3Very low33.7Very low169 Ų169142.1 Ų142.189%0.88579%0.787SS**  58.6100.482.8-58.9178.5000113.7
139A32.9Very low32.6Very low83 Ų83142.9 Ų142.969%0.68678%0.783SS**  83.4101.780.700000112.6
140V34.5Very low32.6Very low136 Ų136143.9 Ų143.982%0.82478%0.775SS**  57.1111.189.4178.20000113.6
141R33.9Very low32.4Very low249 Ų249143.2 Ų143.294%0.9477%0.771SS**  trans-153130.1142.7-76.5-145.3159.3-161-10.5112.3
142E36.8Very low32.3Very low179 Ų179142.2 Ų142.284%0.83677%0.766SS**  trans-82.5156.8160.1-60172.811300110.2
143T27.6Very low32.5Very low132 Ų132146.6 Ų146.681%0.8178%0.776SS**  trans-172.9126.6131.123.30000113.4
144C26.9Very low32.4Very low111 Ų111148.1 Ų148.175%0.7578%0.776SS**  trans50.7128.7136.3-59.40000124.7
145R28.7Very low32.1Very low242 Ų242144.9 Ų144.991%0.91377%0.773SS**  trans35.9133.4135.3-60.9-175.8175.6-139.81.1119.3
146S28.2Very low32.1Very low90 Ų90142.6 Ų142.663%0.62976%0.762SS**  -164.5179.260.8-146.20000115
147E25.7Very low31.7Very low164 Ų164148.2 Ų148.277%0.76677%0.768SS**  trans-9.4151.9161.6-58.2148.8127.300118.6
148Q32.9Very low31.8Very low154 Ų154154.9 Ų154.972%0.7277%0.773SS**  179.5129.559.5-174148.99.100114.1
149M33.4Very low31.7Very low123 Ų123152.5 Ų152.561%0.60677%0.77SS**  trans55.7138.8143.1-78.5-175.6119.100126
150R32Very low31.6Very low187 Ų187155.7 Ų155.771%0.70677%0.77SS**  trans75.1150.4139.4-73.3-178-53.7-132.90.8118.8
151N30.2Very low31.5Very low130 Ų130153.6 Ų153.670%0.69577%0.767SS**  cis-167.6157.8-21.4-113.210.4000110.1
152T29.3Very low31.3Very low111 Ų111152.5 Ų152.568%0.68176%0.763SS**  trans28.7127.9146.861.80000122.2
153E35.8Very low31Very low185 Ų185149.1 Ų149.186%0.86476%0.759SS**  -169.3122.5103.8-96.1-178.4128.500107.4
154K34.3Very low31.7Very low166 Ų166148.5 Ų148.572%0.72276%0.758SS**  60.8111.671.1-82-156158.4-132.40115.3D156K154-D156 IonicContact NZ-OD2 2.82Å; K154-D156 PolarHBondContact NZ-OD2 3.44Å
155A33.8Very low32Very low100 Ų100152.4 Ų152.483%0.82677%0.765SS**  trans-13596.6155.300000108.3
156D31.5Very low32.1Very low120 Ų120145.7 Ų145.764%0.64276%0.755SS**  trans-77135.8171-76.6-67.6000109.2K154K154-D156 IonicContact NZ-OD2 2.82Å; K154-D156 PolarHBondContact NZ-OD2 3.44Å
157F29Very low32.3Very low216 Ų216146.8 Ų146.895%0.94776%0.758SS**  trans-131.1115.1156.4-99.8-77.9000110.1
158R33.9Very low32.7Very low206 Ų206145.8 Ų145.878%0.77776%0.756SS**  trans-135.9130.9177.2-161.1-173.1-152.1-130.311.1107.6H160R158-H160 PolarHBondContact NH1-CE1 3.19Å; R158-H160 PolarHBondContact NH1-NE2 2.91Å; R158-H160 VanDerWaalsContact NH1-NE2 3.17Å
159S34.3Very low32.6Very low118 Ų118145.8 Ų145.883%0.82576%0.761SS**  trans-135.3135.4166.741.70000110.3
160H31.1Very low32.6Very low150 Ų150146.4 Ų146.469%0.69477%0.772SS**  trans-86168.8176.9-64-114.6000108.5R158R158-H160 PolarHBondContact NH1-CE1 3.19Å; R158-H160 PolarHBondContact NH1-NE2 2.91Å; R158-H160 VanDerWaalsContact NH1-NE2 3.17Å
161A32.8Very low33.3Very low92 Ų92143.4 Ų143.476%0.7678%0.776SS**  cis-139.3-151.38.800000108.4
162R28.9Very low33.2Very low227 Ų227140.9 Ų140.986%0.85778%0.781SS**  cis-160.915810.5-153-177.5-174.7-179.82.5110.3
163S31.7Very low33.4Very low108 Ų108144.1 Ų144.176%0.75579%0.791SS**  trans-124.6152.7157.6-60.10000110.1
164P42.3Very low33.3Very low119 Ų119141.7 Ų141.777%0.77378%0.783SS**  -133.4158.3126.215.85.4000112.9
165Q33.1Very low33.3Very low193 Ų193140.8 Ų140.890%0.90279%0.786SS**  trans-88.2154172.2-63.5169.5-23.600110.7
166S29Very low33.5Very low100 Ų100143.5 Ų143.570%0.69978%0.781SS**  158.7119.8117.7-160.80000113.9
167T32.9Very low33.7Very low113 Ų113146.2 Ų146.269%0.69379%0.79SS**  trans59.6127.1137.656.10000124.3
168I34.7Very low34.3Very low144 Ų144146.5 Ų146.574%0.73879%0.785SS**  trans103.1131.1132.5-73.6162.6000119.7
169D29.9Very low34.6Very low154 Ų154144.5 Ų144.582%0.82478%0.784SS**  trans78.4149.8164.4-63.8-23.7000124.3
170V34.4Very low34.6Very low136 Ų136143.7 Ų143.782%0.82478%0.778SS**  trans-146.1163-160.8168.10000106.2
171P46.6Very low35Very low123 Ų123144 Ų14480%0.79978%0.784SS**  cis-119.2170.5-1530.3-12.6000113.9
172G28.6Very low35.4Very low78 Ų78146.6 Ų146.680%0.80479%0.786SS**  trans-149.9123.4164.400000111.8
173M33Very low36Very low179 Ų179143.5 Ų143.588%0.88279%0.785SS**  trans-79.2139.8-174.8-60-10972.400112.2
174L34.3Very low36.2Very low134 Ų134146.9 Ų146.970%0.70279%0.789SS**  163.1117.8106-164.872.9000110
175N33.4Very low36.1Very low146 Ų146146.4 Ų146.478%0.78178%0.784SS**  trans-134.6118.9170.9-161.713.1000108.4
176H37.6Very low36.4Very low158 Ų158145.5 Ų145.573%0.73178%0.779SS**  trans-10882.7-178.9-77.4-48.1000110.9
177Q37.3Very low37.2Very low176 Ų176148.3 Ų148.382%0.82279%0.787SS**  trans-95.7136.5162.4-168.9161.9-23.600109.2H179Q177-H179 PolarHBondContact O-N 3.18Å
178R40.5Very low37.7Very low223 Ų223151.6 Ų151.684%0.84280%0.799SS**  trans-81.9119.2-163.4-73.2-178.4173.7163.6-2.3113.5
179H40.7Very low37.9Very low163 Ų163152.9 Ų152.976%0.75580%0.802SS**  trans40.498.5136.5-46.8-64.8000118.6Q177Q177-H179 PolarHBondContact O-N 3.18Å
180S33.2Very low38.2Very low101 Ų101152 Ų15271%0.70680%0.796SS**  trans-85.1158.7131.261.20000109.1
181L40.8Very low38Very low156 Ų156156.2 Ų156.282%0.81780%0.797SS**  trans-129.989.7168-74.5176.6000107.9
182D40.1Very low37.3Very low148 Ų148155.3 Ų155.379%0.79179%0.794SS**  trans-86.3140157.1-74.5-52000108.5
183L41.1Very low37.9Very low161 Ų161160.6 Ų160.684%0.84380%0.797SS**  trans-12379.8172.4-95.8163000108.7
184E37.5Very low37.9Very low180 Ų180160.9 Ų160.984%0.84180%0.796SS**  trans-83.5137.9158.9-172.3177.6178.600108
185T40.1Very low38Very low109 Ų109162.1 Ų162.167%0.66980%0.798SS**  trans-146.486.7177.5-52.10000111.5
186H39.8Very low38.1Very low173 Ų173161.6 Ų161.680%0.80180%0.8SS**  trans43.7112.6146-59.3-62000120.5
187D45.5Very low38.2Very low160 Ų160162.5 Ų162.586%0.85680%0.804SS**  trans-53.6146.3143.6-73.7-61.3000112.2
188L42.4Very low38.2Very low181 Ų181157.3 Ų157.395%0.94880%0.798SS**  -151148.5129.4-101.4-178.2000110.3
189E39.5Very low37.7Very low171 Ų171155.9 Ų155.980%0.79980%0.803SS**  trans-99.5176.8-157.7-165.6-166.1-178.900113.1
190I35.8Very low37.5Very low136 Ų136152.1 Ų152.170%0.69781%0.809SS**  trans100.7104.7153.2-57168.9000118.2
191R30.8Very low37.7Very low224 Ų224152.4 Ų152.485%0.84581%0.811SS**  111.5134.7129.8178.5171.5-80.4168.4-5120.5
192S31.2Very low38Very low105 Ų105154.9 Ų154.973%0.73481%0.809SS**  trans85.3110.1157.156.30000119.1Q194S192-Q194 PolarHBondContact O-N 3.28Å
193H41.9Very low38.3Very low188 Ų188157.6 Ų157.687%0.8781%0.808SS**  trans-57127.5153-60.7-104.3000109.8
194Q33.5Very low38.6Very low185 Ų185156.9 Ų156.986%0.86480%0.8SS**  trans-153.2119144.1-120.8160.359.100112.4S192 V196S192-Q194 PolarHBondContact O-N 3.28Å; Q194-V196 PolarHBondContact O-N 3.38Å
195H35.4Very low39.2Very low160 Ų160156.1 Ų156.174%0.74180%0.796SS**  trans-50.3122.1164.2159.1-67.8000111.5
196V35.2Very low39.6Very low135 Ų135159.7 Ų159.782%0.81881%0.805SS**  trans-144.8122.1154.5-82.90000110Q194Q194-V196 PolarHBondContact O-N 3.38Å
197E39.7Very low40.1Very low178 Ų178159.4 Ų159.483%0.83280%0.804SS**  trans-72.5151.2162.5-57.7171.1116.700109.4
198G37.2Very low40Very low67 Ų67162.3 Ų162.369%0.69180%0.803SS**  trans148.9116.9161.100000117.8
199M30.8Very low40.3Very low193 Ų193159.5 Ų159.595%0.95180%0.796SS**  trans66.593.2147.7-72.5135.374.400119
200G35.4Very low40.6Very low84 Ų84159.6 Ų159.687%0.86680%0.796SS**  trans-57.9155.617000000116.6
201S37.9Very low41.3Very low107 Ų107157.5 Ų157.575%0.74879%0.79SS**  trans-104.1111.2167.6-1790000109.1R203S201-R203 PolarHBondContact O-N 3.12Å; S201-R203 VanDerWaalsContact O-N 3.17Å
202R48.1Very low42.3Very low208 Ų208155 Ų15579%0.78579%0.785SS**  trans-56.9117.4175.1-89.7-175169-150.35.1110.3H204R202-H204 PolarHBondContact NH1-CE1 3Å; R202-H204 PolarHBondContact NH1-NE2 3.17Å
203R46Very low43.5Very low205 Ų205155.6 Ų155.677%0.77478%0.776SS**  trans-112.3124.1150.1-63.4-171.1-166.9-100.92.7107.6S201 H205S201-R203 PolarHBondContact O-N 3.12Å; S201-R203 VanDerWaalsContact O-N 3.17Å; R203-H205 PolarHBondContact O-CD2 2.83Å; R203-H205 PolarHBondContact O-N 3.02Å
204H46.4Very low43.8Very low145 Ų145152 Ų15267%0.67176%0.763SS**  trans-75.394.9178.9-79.9-93.8000109R202R202-H204 PolarHBondContact NH1-CE1 3Å; R202-H204 PolarHBondContact NH1-NE2 3.17Å
205H51.3Low44.7Very low164 Ų164150.6 Ų150.676%0.75976%0.76SS**  trans-75.2132.7164.2-69.8-92.6000108.4R203 E207R203-H205 PolarHBondContact O-CD2 2.83Å; R203-H205 PolarHBondContact O-N 3.02Å; H205-E207 VanDerWaalsContact C-N 3.35Å; H205-E207 PolarHBondContact O-N 3.11Å
206H47.7Very low45.6Very low185 Ų185150.6 Ų150.686%0.85677%0.766SS**  trans-74.793.1169.7-73.6-92.5000108.1W208H206-W208 PolarHBondContact O-N 3Å
207E51Low46.6Very low166 Ų166152.1 Ų152.178%0.77676%0.764SS**  trans-76.1115.3177.6-170.4173.2-178.900109.6H205H205-E207 VanDerWaalsContact C-N 3.35Å; H205-E207 PolarHBondContact O-N 3.11Å
208W43.9Very low47Very low221 Ų221149.9 Ų149.984%0.83776%0.757SS**  trans-70.7139.6163.1-78.387.1000108.3H206 Q210H206-W208 PolarHBondContact O-N 3Å; W208-Q210 PolarHBondContact O-N 3.13Å
209P47.7Very low47.5Very low122 Ų122154 Ų15479%0.79276%0.764SS**  trans-64.5102.4-178.2-18.431000110.7T211P209-T211 PolarHBondContact O-N 3Å
210Q45.8Very low48.2Very low174 Ų174153.1 Ų153.181%0.81376%0.755SS**  trans-71.4115.2170.3-72.1-171.5-88.900108.6W208 K212W208-Q210 PolarHBondContact O-N 3.13Å; Q210-K212 PolarHBondContact O-N 3.25Å
211T49.7Very low48.7Very low91 Ų91153.9 Ų153.956%0.55874%0.742SS**  trans-60.7122.9167.132.60000108.9P209 E213P209-T211 PolarHBondContact O-N 3Å; T211-E213 PolarHBondContact O-N 2.73Å
212K52.3Low49.3Very low171 Ų171153.9 Ų153.974%0.74374%0.74SS**THydrogen-bonded Turntrans-7430-171.961.1-179.3172.352.10113.5Q210Q210-K212 PolarHBondContact O-N 3.25Å
213E56Low48.9Very low119 Ų119152.7 Ų152.756%0.55675%0.746SS**THydrogen-bonded Turntrans-123.2-15.1-173.9-7088.7-152.100113.7T211 I215T211-E213 PolarHBondContact O-N 2.73Å; E213-I215 PolarHBondContact O-N 2.91Å
214D47.9Very low49.1Very low111 Ų111147.6 Ų147.659%0.59473%0.734SS**G310 helixtrans-93.615.9-174.5-75.4-33.7000115.4D216D214-D216 VanDerWaalsContact C-N 3.29Å; D214-D216 PolarHBondContact O-N 2.73Å
215I53.4Low49.4Very low156 Ų156146 Ų14680%0.873%0.725SS**G310 helixtrans-77.2-11.8-175.7-70.7176.9000113.2E213E213-I215 PolarHBondContact O-N 2.91Å
216D55.1Low49Very low160 Ų160142.4 Ų142.486%0.85672%0.716SS**G310 helixtrans-127.839.8-170.8-145.619000114.4D214D214-D216 VanDerWaalsContact C-N 3.29Å; D214-D216 PolarHBondContact O-N 2.73Å
217Q55.6Low48.8Very low167 Ų167141.8 Ų141.878%0.7871%0.711SS**  trans-131.328.8167.2-73.1-162.451.600113.8D219Q217-D219 VanDerWaalsContact C-N 3.33Å
218N47.5Very low48.9Very low131 Ų131137 Ų13770%0.70169%0.688SS**  trans-97.330.7167.4-77.4-55.8000113.2F220N218-F220 PolarHBondContact O-N 3.03Å
219D47.8Very low49.3Very low154 Ų154130.6 Ų130.682%0.82467%0.674SS**  trans-69.262.3150.6-98.3-6.6000109.3Q217 V221Q217-D219 VanDerWaalsContact C-N 3.33Å; D219-V221 PolarHBondContact O-N 3.12Å
220F45.2Very low49.8Very low175 Ų175125.5 Ų125.577%0.76864%0.639SS**  trans-73.664.3165.2-128.5-80.1000107.7N218 P222N218-F220 PolarHBondContact O-N 3.03Å; F220-P222 WeakPolarHBondContact O-CD 3.08Å
221V47.1Very low50.3Low99 Ų99122.8 Ų122.860%0.664%0.638SS**  trans-50.1112.5162177.50000105.2D219 M223D219-V221 PolarHBondContact O-N 3.12Å; V221-M223 PolarHBondContact O-N 2.8Å
222P50.7Low51.1Low108 Ų108126.1 Ų126.170%0.70165%0.648SS**  trans-58.6114.4174.9-18.331.4000104.8F220 D224F220-P222 WeakPolarHBondContact O-CD 3.08Å; P222-D224 WeakPolarHBondContact O-CA 3.35Å; P222-D224 PolarHBondContact O-N 3.29Å
223M38.6Very low52.5Low182 Ų182119.8 Ų119.890%0.89762%0.621SS**  trans-52.4109.6-169.7-168.3-162-6000107.2V221 K225V221-M223 PolarHBondContact O-N 2.8Å; M223-K225 PolarHBondContact O-N 2.94Å
224D50.6Low54Low99 Ų99119.9 Ų119.953%0.52963%0.625SS.*  trans-52.7118.1-162.9-121.7-13.1000106.2P222 K227P222-D224 WeakPolarHBondContact O-CA 3.35Å; P222-D224 PolarHBondContact O-N 3.29Å; D224-K227 VanDerWaalsContact OD2-CE 3.31Å; D224-K227 WeakPolarHBondContact OD2-CE 3.16Å; D224-K227 IonicContact OD2-NZ 3.47Å; D224-K227 PolarHBondContact OD2-NZ 3.49Å
225K51.7Low56.1Low111 Ų111115.6 Ų115.648%0.48360%0.6SS.*  trans-44124.1169.5-79.6-173.8174.9-1660104.1M223 K227 D262M223-K225 PolarHBondContact O-N 2.94Å; K225-K227 PolarHBondContact O-N 2.88Å; K225-D262 IonicContact NZ-OD1 2.96Å; K225-D262 IonicContact NZ-OD2 2.61Å; K225-D262 PolarHBondContact NZ-OD2 3.15Å
226P43Very low58Low89 Ų89110.2 Ų110.258%0.57857%0.57SS**  trans-48122.1-173.119.6-33.2000106.6Q228P226-Q228 HydrophobicContact CB-CG 4.25Å; P226-Q228 HydrophobicContact CG-CG 4.36Å; P226-Q228 WeakPolarHBondContact O-CG 3.29Å; P226-Q228 PolarHBondContact O-N 3.34Å
227K45.1Very low59.8Low172 Ų172103.1 Ų103.175%0.74853%0.532SS*.  trans-67.768.3-173.1-80.2172.1168143.40109.1D224 K225D224-K227 VanDerWaalsContact OD2-CE 3.31Å; D224-K227 WeakPolarHBondContact OD2-CE 3.16Å; D224-K227 IonicContact OD2-NZ 3.47Å; D224-K227 PolarHBondContact OD2-NZ 3.49Å; K225-K227 PolarHBondContact O-N 2.88Å
228Q51.6Low61.4Low64 Ų6495.6 Ų95.630%0.29950%0.5SS..  trans-72131174.9-72.7166.31.600104.9P226 Y230 Y296P226-Q228 HydrophobicContact CB-CG 4.25Å; P226-Q228 HydrophobicContact CG-CG 4.36Å; P226-Q228 WeakPolarHBondContact O-CG 3.29Å; P226-Q228 PolarHBondContact O-N 3.34Å; Q228-Y230 HydrophobicContact CB-CD1 4.47Å; Q228-Y230 HydrophobicContact CB-CD2 3.77Å; Q228-Y230 HydrophobicContact CB-CE1 4.24Å; Q228-Y230 HydrophobicContact CB-CE2 3.54Å; Q228-Y230 HydrophobicContact CB-CG 4.22Å; Q228-Y230 HydrophobicContact CG-CE2 4.26Å; Q228-Y230 PolarHBondContact O-N 3.42Å; Q228-Y230 PolarHBondContact OE1-OH 2.66Å; Q228-Y296 VanDerWaalsContact CD-OH 3.29Å; Q228-Y296 PolarHBondContact NE2-OH 2.56Å; Q228-Y296 PolarHBondContact OE1-OH 2.83Å
229T53.2Low63.3Low87 Ų8797.6 Ų97.653%0.53451%0.505SS..G310 helixtrans-61.6-2.2-165.242.80000115C231 E232T229-C231 PolarHBondContact O-N 3.42Å; T229-E232 WeakPolarHBondContact O-CB 3.39Å; T229-E232 PolarHBondContact O-N 3.1Å
230Y57.5Low65.3Low15 Ų1591.1 Ų91.16%0.05947%0.472CS..G310 helixtrans-41.9-25-179.3-53.4-28000115.9Q228 E232 E233 W235 Y236 L272 Y296 V311Q228-Y230 HydrophobicContact CB-CD1 4.47Å; Q228-Y230 HydrophobicContact CB-CD2 3.77Å; Q228-Y230 HydrophobicContact CB-CE1 4.24Å; Q228-Y230 HydrophobicContact CB-CE2 3.54Å; Q228-Y230 HydrophobicContact CB-CG 4.22Å; Q228-Y230 HydrophobicContact CG-CE2 4.26Å; Q228-Y230 PolarHBondContact O-N 3.42Å; Q228-Y230 PolarHBondContact OE1-OH 2.66Å; Y230-E232 PolarHBondContact O-N 2.74Å; Y230-E233 WeakPolarHBondContact CA-OE2 3.37Å; Y230-E233 PolarHBondContact N-OE2 3.14Å; Y230-E233 PolarHBondContact O-N 2.89Å; Y230-W235 HydrophobicContact CD1-CH2 4.41Å; Y230-Y236 WeakPolarHBondContact O-CB 3.46Å; Y230-Y236 WeakPolarHBondContact O-CD1 3.49Å; Y230-L272 HydrophobicContact CD2-CD1 4.1Å; Y230-L272 HydrophobicContact CE2-CD1 3.71Å; Y230-Y296 PolarHBondContact OH-OH 2.81Å; Y230-V311 HydrophobicContact CE1-CB 3.96Å; Y230-V311 HydrophobicContact CE1-CG2 4.27Å; Y230-V311 HydrophobicContact CE2-CG2 4.33Å
231C56.6Low67.6Low118 Ų11887.8 Ų87.880%0.79746%0.462SS*.G310 helixtrans-61.5-16.6171-63.20000114.4T229T229-C231 PolarHBondContact O-N 3.42Å
232E65.9Low69.7Low161 Ų16189.6 Ų89.675%0.75246%0.458SS*.G310 helixtrans-95.5-16.2176.9-63.6179.6-175.800112.7T229 Y230T229-E232 WeakPolarHBondContact O-CB 3.39Å; T229-E232 PolarHBondContact O-N 3.1Å; Y230-E232 PolarHBondContact O-N 2.74Å
233E82.3Confident71.7Confident38 Ų3888.7 Ų88.718%0.17845%0.451CS..  trans-87.1116.6-179-74.8104.7122.500112.7Y230 W235 Y236Y230-E233 WeakPolarHBondContact CA-OE2 3.37Å; Y230-E233 PolarHBondContact N-OE2 3.14Å; Y230-E233 PolarHBondContact O-N 2.89Å; E233-W235 HydrophobicContact CB-CD2 4.16Å; E233-W235 HydrophobicContact CB-CH2 4.21Å; E233-W235 HydrophobicContact CB-CZ2 3.63Å; E233-W235 HydrophobicContact CG-CH2 4.42Å; E233-W235 HydrophobicContact CG-CZ2 3.63Å; E233-W235 PolarHBondContact O-N 3.39Å; E233-Y236 PolarHBondContact O-N 3.27Å
234D86.7Confident74.4Confident120 Ų12082.7 Ų82.764%0.64242%0.422SS*.THydrogen-bonded Turntrans-45.8-36.8-177.7-67-42.9000114.8Y236 T347D234-Y236 VanDerWaalsContact C-N 3.33Å; D234-Y236 PolarHBondContact O-N 3.4Å; D234-T347 HydrophobicContact CB-CG2 4.01Å; D234-T347 VanDerWaalsContact O-CA 3.23Å; D234-T347 WeakPolarHBondContact O-CA 3.36Å
235W92.7Very high76.4Confident22 Ų2278 Ų788%0.08340%0.397CS..THydrogen-bonded Turntrans-79.7-5.6-177.349.6-100.6000114.8Y230 E233 Y258 V260 V311 A312 I315 P345Y230-W235 HydrophobicContact CD1-CH2 4.41Å; E233-W235 HydrophobicContact CB-CD2 4.16Å; E233-W235 HydrophobicContact CB-CH2 4.21Å; E233-W235 HydrophobicContact CB-CZ2 3.63Å; E233-W235 HydrophobicContact CG-CH2 4.42Å; E233-W235 HydrophobicContact CG-CZ2 3.63Å; E233-W235 PolarHBondContact O-N 3.39Å; W235-Y258 HydrophobicContact CB-CD2 4.34Å; W235-Y258 HydrophobicContact CB-CE2 3.72Å; W235-Y258 AromaticContact CG-CE2 3.95Å; W235-Y258 HydrophobicContact CG-CE2 3.95Å; W235-V260 HydrophobicContact CD2-CG2 4.47Å; W235-V260 HydrophobicContact CE3-CB 3.58Å; W235-V260 HydrophobicContact CE3-CG2 3.38Å; W235-V260 HydrophobicContact CZ3-CB 3.61Å; W235-V260 HydrophobicContact CZ3-CG1 4.16Å; W235-V260 HydrophobicContact CZ3-CG2 3.5Å; W235-V260 VanDerWaalsContact CZ3-CG2 3.5Å; W235-V260 PolarHBondContact O-N 3.31Å; W235-V311 HydrophobicContact CH2-CB 4.09Å; W235-V311 HydrophobicContact CH2-CG1 3.6Å; W235-V311 HydrophobicContact CZ3-CG1 3.8Å; W235-A312 HydrophobicContact CZ2-CB 4.09Å; W235-I315 HydrophobicContact CD2-CG1 4.13Å; W235-I315 HydrophobicContact CE3-CG1 4.37Å; W235-I315 HydrophobicContact CH2-CG1 4.33Å; W235-I315 HydrophobicContact CZ2-CG1 4.03Å; W235-I315 HydrophobicContact CZ3-CG1 4.47Å; W235-P345 HydrophobicContact CB-CB 3.88Å
236Y94.1Very high78.5Confident43 Ų4374.7 Ų74.717%0.16938%0.383CS..EExtended strand (participates in β ladder)trans-94113.8179178.1-115.1000111.5Y230 E233 D234 V260 D262 L272Y230-Y236 WeakPolarHBondContact O-CB 3.46Å; Y230-Y236 WeakPolarHBondContact O-CD1 3.49Å; E233-Y236 PolarHBondContact O-N 3.27Å; D234-Y236 VanDerWaalsContact C-N 3.33Å; D234-Y236 PolarHBondContact O-N 3.4Å; Y236-V260 HydrophobicContact CD2-CB 4.39Å; Y236-V260 HydrophobicContact CD2-CG1 4.23Å; Y236-D262 PolarHBondContact OH-OD1 2.7Å; Y236-D262 VanDerWaalsContact OH-OD1 3.06Å; Y236-L272 HydrophobicContact CD2-CD2 4.49Å; Y236-L272 HydrophobicContact CE2-CD2 3.68Å
237V91.7Very high80.9Confident10 Ų1075.1 Ų75.16%0.06138%0.377CS..EExtended strand (participates in β ladder)trans-89.8-20.8-177.1-172.50000111.6C240 L259 V260 K348 V351V237-C240 HydrophobicContact CB-CB 4.29Å; V237-C240 HydrophobicContact CG1-CB 3.71Å; V237-L259 HydrophobicContact CG2-CB 3.97Å; V237-L259 HydrophobicContact CG2-CD1 4.12Å; V237-L259 HydrophobicContact CG2-CD2 4.37Å; V237-L259 HydrophobicContact CG2-CG 4.38Å; V237-V260 PolarHBondContact N-O 2.85Å; V237-K348 HydrophobicContact CG1-CB 4.38Å; V237-K348 HydrophobicContact CG1-CG 4.19Å; V237-V351 HydrophobicContact CG1-CB 4.41Å; V237-V351 HydrophobicContact CG1-CG1 4.46Å; V237-V351 HydrophobicContact CG1-CG2 4.28Å; V237-V351 HydrophobicContact CG2-CG2 4.05Å
238G89.5Confident83.3Confident9 Ų967 Ų679%0.09334%0.342CS..EExtended strand (participates in β ladder)trans77.5-134.5-175.500000113C240 R261 D262G238-C240 PolarHBondContact O-N 2.88Å; G238-R261 WeakPolarHBondContact O-CA 3.49Å; G238-D262 PolarHBondContact O-N 2.82Å
239Q88.5Confident85.4Confident173 Ų17363.9 Ų63.981%0.80833%0.328SS*.SBendtrans-69.993.6176.6-65.8-178.915.500110.2
240C89.9Confident87.4Confident19 Ų1964.1 Ų64.113%0.12832%0.322CS..  trans-128.9134.1176.4-177.80000109.4V237 G238 R261V237-C240 HydrophobicContact CB-CB 4.29Å; V237-C240 HydrophobicContact CG1-CB 3.71Å; G238-C240 PolarHBondContact O-N 2.88Å; C240-R261 HydrophobicContact CB-CB 4.14Å
241N91.7Very high89.2Confident105 Ų10567.4 Ų67.456%0.56134%0.34SS*.  trans-63.4151.3177.6-62.7-46.1000110.4T243 D244 A245N241-T243 VanDerWaalsContact C-N 3.34Å; N241-T243 PolarHBondContact O-N 3.47Å; N241-D244 HydrophobicContact CB-CB 4.14Å; N241-D244 WeakPolarHBondContact CB-OD2 3.34Å; N241-D244 PolarHBondContact ND2-OD2 2.96Å; N241-D244 PolarHBondContact O-N 3.27Å; N241-A245 WeakPolarHBondContact O-CB 3.33Å; N241-A245 PolarHBondContact O-N 3.28Å; N241-A245 VanDerWaalsContact O-N 3.11Å
242R92.4Very high90.9Very high136 Ų13663.5 Ų63.551%0.51331%0.313SS..Hα-helixtrans-59.3-45.7177.2177.1174.3175.5-165.9-9.7112.2D244 E246R242-D244 VanDerWaalsContact C-N 3.3Å; R242-D244 PolarHBondContact O-N 3.28Å; R242-E246 HydrophobicContact CG-CG 4.47Å; R242-E246 IonicContact CZ-OE1 2.94Å; R242-E246 VanDerWaalsContact CZ-OE1 3.28Å; R242-E246 IonicContact NE-OE1 2.7Å; R242-E246 PolarHBondContact NE-OE1 3.05Å; R242-E246 IonicContact NE-OE2 2.98Å; R242-E246 IonicContact NH2-OE1 3.72Å; R242-E246 PolarHBondContact NH2-OE1 2.88Å; R242-E246 WeakPolarHBondContact O-CB 3.43Å; R242-E246 VanDerWaalsContact O-CG 3.27Å; R242-E246 WeakPolarHBondContact O-CG 3.44Å; R242-E246 PolarHBondContact O-N 3.43Å
243T93.3Very high92.2Very high90 Ų9060.7 Ų60.755%0.55230%0.303SS*.Hα-helixtrans-58.4-43.6178.941.50000111.8N241 E246 H247N241-T243 VanDerWaalsContact C-N 3.34Å; N241-T243 PolarHBondContact O-N 3.47Å; T243-E246 PolarHBondContact O-N 3.38Å; T243-H247 VanDerWaalsContact O-CB 3.29Å; T243-H247 WeakPolarHBondContact O-CB 3.5Å; T243-H247 PolarHBondContact O-N 2.9Å
244D93.6Very high92.8Very high55 Ų5564.7 Ų64.729%0.29432%0.32SS..Hα-helixtrans-75.3-41-169.8-55.13.5000109.6N241 R242 H247 A248 L355N241-D244 HydrophobicContact CB-CB 4.14Å; N241-D244 WeakPolarHBondContact CB-OD2 3.34Å; N241-D244 PolarHBondContact ND2-OD2 2.96Å; N241-D244 PolarHBondContact O-N 3.27Å; R242-D244 VanDerWaalsContact C-N 3.3Å; R242-D244 PolarHBondContact O-N 3.28Å; D244-H247 PolarHBondContact O-N 2.83Å; D244-A248 WeakPolarHBondContact O-CB 3.49Å; D244-A248 PolarHBondContact O-N 2.91Å; D244-L355 HydrophobicContact CB-CD1 3.77Å
245A94.3Very high93.2Very high0 Ų062.9 Ų62.90%031%0.31CS..Hα-helixtrans-62.4-44.7169.400000113N241 H247 L249 L259N241-A245 WeakPolarHBondContact O-CB 3.33Å; N241-A245 PolarHBondContact O-N 3.28Å; N241-A245 VanDerWaalsContact O-N 3.11Å; A245-H247 VanDerWaalsContact C-N 3.34Å; A245-L249 WeakPolarHBondContact O-CB 3.27Å; A245-L249 PolarHBondContact O-N 2.84Å; A245-L249 VanDerWaalsContact O-N 3.13Å; A245-L259 HydrophobicContact CB-CD1 4.02Å; A245-L259 HydrophobicContact CB-CD2 4.22Å
246E94.4Very high93.2Very high42 Ų4261.9 Ų61.920%0.19631%0.306CS..Hα-helixtrans-62.2-42.1175.8-7617417800110.9R242 T243 H250 V282 N284R242-E246 HydrophobicContact CG-CG 4.47Å; R242-E246 IonicContact CZ-OE1 2.94Å; R242-E246 VanDerWaalsContact CZ-OE1 3.28Å; R242-E246 IonicContact NE-OE1 2.7Å; R242-E246 PolarHBondContact NE-OE1 3.05Å; R242-E246 IonicContact NE-OE2 2.98Å; R242-E246 IonicContact NH2-OE1 3.72Å; R242-E246 PolarHBondContact NH2-OE1 2.88Å; R242-E246 WeakPolarHBondContact O-CB 3.43Å; R242-E246 VanDerWaalsContact O-CG 3.27Å; R242-E246 WeakPolarHBondContact O-CG 3.44Å; R242-E246 PolarHBondContact O-N 3.43Å; T243-E246 PolarHBondContact O-N 3.38Å; E246-H250 WeakPolarHBondContact O-CB 3.38Å; E246-H250 PolarHBondContact O-CD2 2.89Å; E246-H250 PolarHBondContact O-N 2.65Å; E246-V282 HydrophobicContact CB-CG1 4.45Å; E246-V282 HydrophobicContact CG-CB 4.19Å; E246-V282 HydrophobicContact CG-CG1 3.77Å; E246-N284 PolarHBondContact OE1-ND2 2.82Å
247H94.9Very high93.3Very high99 Ų9959.8 Ų59.846%0.45830%0.298SS..Hα-helixtrans-66.8-47.9178.6-173.4-145.3000112.3T243 D244 A245 L249 H250 L251 L355T243-H247 VanDerWaalsContact O-CB 3.29Å; T243-H247 WeakPolarHBondContact O-CB 3.5Å; T243-H247 PolarHBondContact O-N 2.9Å; D244-H247 PolarHBondContact O-N 2.83Å; A245-H247 VanDerWaalsContact C-N 3.34Å; H247-L249 VanDerWaalsContact C-N 3.32Å; H247-L249 PolarHBondContact O-N 2.86Å; H247-H250 CarbonylContact O-C 3.58Å; H247-H250 WeakPolarHBondContact O-CA 3.45Å; H247-H250 WeakPolarHBondContact O-CB 3.48Å; H247-H250 PolarHBondContact O-N 3.01Å; H247-H250 VanDerWaalsContact O-N 3.08Å; H247-L251 WeakPolarHBondContact O-CG 3.45Å; H247-L251 PolarHBondContact O-N 2.61Å; H247-L355 HydrophobicContact CB-CD2 4.14Å; H247-L355 WeakPolarHBondContact ND1-CD2 3.4Å
248A95.2Very high93.5Very high0 Ų060.1 Ų60.10%030%0.298CS..Hα-helixtrans-58.4-42.7177.100000112.2D244 L251 V252 V351 L354D244-A248 WeakPolarHBondContact O-CB 3.49Å; D244-A248 PolarHBondContact O-N 2.91Å; A248-L251 PolarHBondContact O-N 2.96Å; A248-V252 WeakPolarHBondContact O-CG2 3.4Å; A248-V252 PolarHBondContact O-N 2.8Å; A248-V351 HydrophobicContact CB-CB 4.5Å; A248-V351 HydrophobicContact CB-CG1 4.23Å; A248-V351 HydrophobicContact CB-CG2 4.22Å; A248-L354 HydrophobicContact CB-CB 4.49Å; A248-L354 HydrophobicContact CB-CD1 4.25Å
249L95.1Very high93.8Very high0 Ų059.7 Ų59.70%029%0.294CS..Hα-helixtrans-62.4-41.4173.7-83.1162.8000112.6A245 H247 L251 V252 N253 A257 L259 V275 F277 V282 I346A245-L249 WeakPolarHBondContact O-CB 3.27Å; A245-L249 PolarHBondContact O-N 2.84Å; A245-L249 VanDerWaalsContact O-N 3.13Å; H247-L249 VanDerWaalsContact C-N 3.32Å; H247-L249 PolarHBondContact O-N 2.86Å; L249-L251 VanDerWaalsContact C-N 3.34Å; L249-L251 PolarHBondContact O-N 3.13Å; L249-V252 PolarHBondContact O-N 2.94Å; L249-N253 PolarHBondContact O-N 2.93Å; L249-A257 HydrophobicContact CD2-CB 3.84Å; L249-A257 WeakPolarHBondContact CD2-O 3.23Å; L249-L259 HydrophobicContact CD1-CD2 4.2Å; L249-L259 HydrophobicContact CD1-CG 4.35Å; L249-L259 HydrophobicContact CG-CD2 4.22Å; L249-V275 HydrophobicContact CD1-CB 3.8Å; L249-V275 HydrophobicContact CD1-CG1 3.35Å; L249-F277 HydrophobicContact CB-CB 4.22Å; L249-F277 HydrophobicContact CB-CD2 4.45Å; L249-F277 HydrophobicContact CD2-CB 3.82Å; L249-V282 HydrophobicContact CB-CG2 3.99Å; L249-V282 HydrophobicContact CD1-CG1 3.95Å; L249-I346 HydrophobicContact CD2-CD1 3.4Å; L249-I346 HydrophobicContact CD2-CG1 4.43Å; L249-I346 HydrophobicContact CG-CD1 3.91Å
250H95.1Very high94.1Very high91 Ų9151.4 Ų51.442%0.42126%0.256SS..Hα-helixtrans-64.8-33.5174.3-87.4-65.7000113.3E246 H247 F277 K280E246-H250 WeakPolarHBondContact O-CB 3.38Å; E246-H250 PolarHBondContact O-CD2 2.89Å; E246-H250 PolarHBondContact O-N 2.65Å; H247-H250 CarbonylContact O-C 3.58Å; H247-H250 WeakPolarHBondContact O-CA 3.45Å; H247-H250 WeakPolarHBondContact O-CB 3.48Å; H247-H250 PolarHBondContact O-N 3.01Å; H247-H250 VanDerWaalsContact O-N 3.08Å; H250-F277 AromaticContact ND1-CE2 3.64Å; H250-K280 PolarHBondContact CE1-O 2.81Å
251L94.6Very high94.3Very high84 Ų8450.9 Ų50.944%0.4425%0.251SS..Hα-helixtrans-72.2-38.2175.5-69.4170000112.2H247 A248 L249 L354H247-L251 WeakPolarHBondContact O-CG 3.45Å; H247-L251 PolarHBondContact O-N 2.61Å; A248-L251 PolarHBondContact O-N 2.96Å; L249-L251 VanDerWaalsContact C-N 3.34Å; L249-L251 PolarHBondContact O-N 3.13Å; L251-L354 HydrophobicContact CB-CD2 4.19Å; L251-L354 HydrophobicContact CD1-CB 4.13Å; L251-L354 WeakPolarHBondContact CD1-O 3.47Å
252V93.7Very high94.3Very high36 Ų3646.3 Ų46.322%0.21823%0.226CC..Hα-helixtrans-65.5-39.6173.5172.40000111.5A248 L249 K254 A257 I346 L354A248-V252 WeakPolarHBondContact O-CG2 3.4Å; A248-V252 PolarHBondContact O-N 2.8Å; L249-V252 PolarHBondContact O-N 2.94Å; V252-K254 HydrophobicContact CG1-CB 3.89Å; V252-K254 HydrophobicContact CG1-CD 3.72Å; V252-K254 HydrophobicContact CG1-CG 3.76Å; V252-K254 PolarHBondContact O-N 3.13Å; V252-K254 VanDerWaalsContact O-N 3.12Å; V252-A257 HydrophobicContact CG1-CB 4.26Å; V252-I346 HydrophobicContact CB-CD1 4.09Å; V252-I346 HydrophobicContact CG1-CD1 4.36Å; V252-I346 HydrophobicContact CG2-CD1 3.72Å; V252-I346 HydrophobicContact CG2-CG1 4.43Å; V252-L354 HydrophobicContact CG2-CD1 3.46Å; V252-L354 VanDerWaalsContact CG2-CD1 3.46Å; V252-L354 HydrophobicContact CG2-CD2 4.44Å
253N93.3Very high94Very high103 Ų10340.3 Ų40.355%0.55121%0.205SC*.  trans51.835.3175-172.451.7000114.1L249 F277L249-N253 PolarHBondContact O-N 2.93Å; N253-F277 HydrophobicContact CB-CZ 4.4Å; N253-F277 WeakPolarHBondContact OD1-CZ 3.43Å
254K94.3Very high93.2Very high122 Ų12240.4 Ų40.453%0.5321%0.21SC..  trans-109129.5176.1-67.1174.3-171.41710110.1V252 A257 F277V252-K254 HydrophobicContact CG1-CB 3.89Å; V252-K254 HydrophobicContact CG1-CD 3.72Å; V252-K254 HydrophobicContact CG1-CG 3.76Å; V252-K254 PolarHBondContact O-N 3.13Å; V252-K254 VanDerWaalsContact O-N 3.12Å; K254-A257 HydrophobicContact CB-CB 4.24Å; K254-A257 WeakPolarHBondContact O-CB 3.44Å; K254-A257 PolarHBondContact O-N 2.82Å; K254-A257 VanDerWaalsContact O-N 3.13Å; K254-F277 WeakPolarHBondContact O-CD1 3.34Å
255D94.1Very high92.2Very high82 Ų8243.5 Ų43.544%0.43923%0.226SC..THydrogen-bonded Turntrans-66.8133.2177.6-156.781.7000111.4A257 H278 E279 T343D255-A257 VanDerWaalsContact C-N 3.28Å; D255-H278 VanDerWaalsContact CG-ND1 3.27Å; D255-H278 VanDerWaalsContact OD1-CA 3.29Å; D255-H278 WeakPolarHBondContact OD1-CA 3.16Å; D255-H278 IonicContact OD1-CE1 2.83Å; D255-H278 IonicContact OD1-CG 2.81Å; D255-H278 IonicContact OD1-ND1 2.66Å; D255-H278 PolarHBondContact OD1-ND1 2.85Å; D255-H278 IonicContact OD2-CE1 2.73Å; D255-H278 PolarHBondContact OD2-CE1 3.01Å; D255-H278 IonicContact OD2-ND1 3.89Å; D255-H278 PolarHBondContact OD2-ND1 3.09Å; D255-E279 PolarHBondContact OD1-N 3.12Å; D255-T343 PolarHBondContact O-OG1 3.18Å; D255-T343 VanDerWaalsContact O-OG1 3.13Å
256G93.2Very high90.8Very high0 Ų047.8 Ų47.80%025%0.249CC..THydrogen-bonded Turntrans76.411.9-172.400000114.2Y258 F277 C340 V341 T343 C344G256-Y258 WeakPolarHBondContact O-CD1 3.49Å; G256-F277 PolarHBondContact N-O 2.79Å; G256-C340 VanDerWaalsContact CA-SG 3.58Å; G256-V341 WeakPolarHBondContact CA-O 3.17Å; G256-T343 WeakPolarHBondContact CA-OG1 3.27Å; G256-T343 PolarHBondContact O-N 3.5Å; G256-T343 PolarHBondContact O-OG1 3.47Å; G256-C344 PolarHBondContact O-N 3.48Å; G256-C344 VanDerWaalsContact O-N 3.09Å
257A96Very high89.7Confident0 Ų048.6 Ų48.60%026%0.257CS..EExtended strand (participates in β ladder)trans-69.7137.5167.300000111.1L249 V252 K254 D255 V276 F277 C344 I346L249-A257 HydrophobicContact CD2-CB 3.84Å; L249-A257 WeakPolarHBondContact CD2-O 3.23Å; V252-A257 HydrophobicContact CG1-CB 4.26Å; K254-A257 HydrophobicContact CB-CB 4.24Å; K254-A257 WeakPolarHBondContact O-CB 3.44Å; K254-A257 PolarHBondContact O-N 2.82Å; K254-A257 VanDerWaalsContact O-N 3.13Å; D255-A257 VanDerWaalsContact C-N 3.28Å; A257-V276 CarbonylContact O-C 3.6Å; A257-V276 WeakPolarHBondContact O-CA 3.24Å; A257-F277 HydrophobicContact CB-CB 4.35Å; A257-F277 PolarHBondContact O-N 2.98Å; A257-C344 CarbonylContact C-O 3.59Å; A257-C344 VanDerWaalsContact CA-O 3.24Å; A257-C344 WeakPolarHBondContact CA-O 3.48Å; A257-C344 HydrophobicContact CB-CB 4.18Å; A257-I346 HydrophobicContact CB-CD1 4.19Å; A257-I346 HydrophobicContact CB-CG1 4.43Å
258Y96.1Very high88.5Confident16 Ų1651.7 Ų51.76%0.06328%0.277CS..EExtended strand (participates in β ladder)trans-149.8158.5-17571.3-84.4000113.6W235 G256 L274 V275 I315 L342 C344 P345 I346W235-Y258 HydrophobicContact CB-CD2 4.34Å; W235-Y258 HydrophobicContact CB-CE2 3.72Å; W235-Y258 AromaticContact CG-CE2 3.95Å; W235-Y258 HydrophobicContact CG-CE2 3.95Å; G256-Y258 WeakPolarHBondContact O-CD1 3.49Å; Y258-L274 HydrophobicContact CD2-CD1 4.03Å; Y258-L274 HydrophobicContact CG-CD1 4.46Å; Y258-V275 CarbonylContact C-O 3.57Å; Y258-V275 WeakPolarHBondContact CA-O 3.19Å; Y258-V275 WeakPolarHBondContact CB-O 3.39Å; Y258-I315 HydrophobicContact CD2-CD1 4.18Å; Y258-I315 HydrophobicContact CE2-CD1 4.04Å; Y258-I315 HydrophobicContact CE2-CG1 4.47Å; Y258-I315 HydrophobicContact CE2-CG2 3.55Å; Y258-I315 VanDerWaalsContact OH-CG2 3.29Å; Y258-I315 WeakPolarHBondContact OH-CG2 3.29Å; Y258-L342 HydrophobicContact CD1-CB 3.71Å; Y258-L342 HydrophobicContact CD1-CD2 4.11Å; Y258-L342 HydrophobicContact CD1-CG 4.39Å; Y258-L342 HydrophobicContact CE1-CB 3.7Å; Y258-L342 HydrophobicContact CG-CB 4.28Å; Y258-L342 HydrophobicContact CG-CD2 3.98Å; Y258-C344 WeakPolarHBondContact CD1-O 3.2Å; Y258-C344 VanDerWaalsContact CE1-C 3.5Å; Y258-C344 PolarHBondContact N-O 3.44Å; Y258-P345 HydrophobicContact CE1-CB 4.2Å; Y258-P345 HydrophobicContact CE2-CB 4.26Å; Y258-I346 PolarHBondContact O-N 3.26Å
259L95.7Very high87.2Confident0 Ų054.8 Ų54.80%030%0.298CS..EExtended strand (participates in β ladder)trans-150159.7169.264.187.4000110.2V237 A245 L249 R261 V275 I346 V351V237-L259 HydrophobicContact CG2-CB 3.97Å; V237-L259 HydrophobicContact CG2-CD1 4.12Å; V237-L259 HydrophobicContact CG2-CD2 4.37Å; V237-L259 HydrophobicContact CG2-CG 4.38Å; A245-L259 HydrophobicContact CB-CD1 4.02Å; A245-L259 HydrophobicContact CB-CD2 4.22Å; L249-L259 HydrophobicContact CD1-CD2 4.2Å; L249-L259 HydrophobicContact CD1-CG 4.35Å; L249-L259 HydrophobicContact CG-CD2 4.22Å; L259-R261 HydrophobicContact CD1-CB 4.13Å; L259-R261 HydrophobicContact CD1-CG 4.28Å; L259-V275 HydrophobicContact CD1-CB 4.13Å; L259-V275 HydrophobicContact CD1-CG2 3.94Å; L259-V275 HydrophobicContact CG-CB 4.27Å; L259-V275 PolarHBondContact N-O 3.33Å; L259-V275 PolarHBondContact O-N 3.41Å; L259-I346 HydrophobicContact CB-CB 4.42Å; L259-I346 HydrophobicContact CD2-CB 4.49Å; L259-V351 HydrophobicContact CD2-CG2 4.02Å
260V95.1Very high86.3Confident0 Ų056.6 Ų56.60%031%0.307CS..EExtended strand (participates in β ladder)trans-113.5136.6169.2-1780000109.8W235 Y236 V237 L272 V273 L274 I287 V311 I315W235-V260 HydrophobicContact CD2-CG2 4.47Å; W235-V260 HydrophobicContact CE3-CB 3.58Å; W235-V260 HydrophobicContact CE3-CG2 3.38Å; W235-V260 HydrophobicContact CZ3-CB 3.61Å; W235-V260 HydrophobicContact CZ3-CG1 4.16Å; W235-V260 HydrophobicContact CZ3-CG2 3.5Å; W235-V260 VanDerWaalsContact CZ3-CG2 3.5Å; W235-V260 PolarHBondContact O-N 3.31Å; Y236-V260 HydrophobicContact CD2-CB 4.39Å; Y236-V260 HydrophobicContact CD2-CG1 4.23Å; V237-V260 PolarHBondContact N-O 2.85Å; V260-L272 HydrophobicContact CG1-CB 4.11Å; V260-L272 HydrophobicContact CG1-CD1 4.43Å; V260-L272 HydrophobicContact CG1-CD2 4.26Å; V260-V273 WeakPolarHBondContact CA-O 3.46Å; V260-L274 HydrophobicContact CG2-CB 4.37Å; V260-L274 HydrophobicContact CG2-CD1 3.93Å; V260-I287 HydrophobicContact CG1-CD1 3.93Å; V260-I287 HydrophobicContact CG2-CD1 4.38Å; V260-V311 HydrophobicContact CG2-CG1 4.36Å; V260-I315 HydrophobicContact CG2-CD1 4.09Å
261R94.3Very high85.7Confident7 Ų753.8 Ų53.83%0.02630%0.297CS..EExtended strand (participates in β ladder)trans-135162.4178.563.6-179-174.6785111.2G238 C240 L259 L272 V273 V275 N284G238-R261 WeakPolarHBondContact O-CA 3.49Å; C240-R261 HydrophobicContact CB-CB 4.14Å; L259-R261 HydrophobicContact CD1-CB 4.13Å; L259-R261 HydrophobicContact CD1-CG 4.28Å; R261-L272 WeakPolarHBondContact O-CA 3.33Å; R261-V273 HydrophobicContact CG-CB 4.27Å; R261-V273 PolarHBondContact N-O 2.85Å; R261-V273 PolarHBondContact O-N 2.84Å; R261-V275 HydrophobicContact CG-CG2 4Å; R261-N284 PolarHBondContact NH2-OD1 3.27Å
262D91.1Very high85.6Confident10 Ų1050 Ų505%0.05328%0.277CS..EExtended strand (participates in β ladder)trans-59.7145.4169.2-82.97.2000111.1K225 Y236 G238K225-D262 IonicContact NZ-OD1 2.96Å; K225-D262 IonicContact NZ-OD2 2.61Å; K225-D262 PolarHBondContact NZ-OD2 3.15Å; Y236-D262 PolarHBondContact OH-OD1 2.7Å; Y236-D262 VanDerWaalsContact OH-OD1 3.06Å; G238-D262 PolarHBondContact O-N 2.82Å
263C86.6Confident85.6Confident9 Ų948.7 Ų48.76%0.06127%0.269CS..EExtended strand (participates in β ladder)trans-62.7135.8166.4-89.20000110.4N265 N266 E270 P271 V273C263-N265 PolarHBondContact O-N 3.07Å; C263-N266 VanDerWaalsContact O-CG 3.29Å; C263-N266 PolarHBondContact O-N 3.46Å; C263-N266 PolarHBondContact O-ND2 2.91Å; C263-N266 PolarHBondContact O-OD1 3.06Å; C263-E270 VanDerWaalsContact CB-O 3.29Å; C263-E270 WeakPolarHBondContact CB-O 3.38Å; C263-E270 PolarHBondContact SG-O 2.84Å; C263-P271 PolarHBondContact N-O 3.07Å; C263-V273 HydrophobicContact CB-CG2 4.43Å; C263-V273 WeakPolarHBondContact SG-CG2 3.46Å
264S77.4Confident85.6Confident93 Ų9343.8 Ų43.865%0.6524%0.243SC*.EExtended strand (participates in β ladder)trans-59.8-34.4171550000111.5
265N72.1Confident85.7Confident119 Ų11938 Ų3864%0.63622%0.218SC*.EExtended strand (participates in β ladder)trans-104.174.7176.8-56.735.4000106.5C263 T267C263-N265 PolarHBondContact O-N 3.07Å; N265-T267 PolarHBondContact O-N 2.9Å
266N65.5Low85.7Confident91 Ų9134.1 Ų34.149%0.48720%0.197SC..EExtended strand (participates in β ladder)trans-56.898.7-179.1-81.9-58.6000110.5C263C263-N266 VanDerWaalsContact O-CG 3.29Å; C263-N266 PolarHBondContact O-N 3.46Å; C263-N266 PolarHBondContact O-ND2 2.91Å; C263-N266 PolarHBondContact O-OD1 3.06Å
267T71Confident85.8Confident59 Ų5934.3 Ų34.336%0.36220%0.198SC..EExtended strand (participates in β ladder)trans-118.7145.2174.959.40000109.2N265 S269 E270N265-T267 PolarHBondContact O-N 2.9Å; T267-S269 PolarHBondContact O-N 2.97Å; T267-S269 PolarHBondContact OG1-OG 3.44Å; T267-E270 CarbonylContact O-C 3.59Å; T267-E270 PolarHBondContact O-N 3.37Å; T267-E270 PolarHBondContact OG1-N 3.04Å
268N68.8Low85.7Confident163 Ų16335.1 Ų35.187%0.87220%0.202SC*.THydrogen-bonded Turntrans-59.2-20-179.4-77.6-43.6000113.9
269S68.8Low85.4Confident65 Ų6539.5 Ų39.546%0.45522%0.222SC..THydrogen-bonded Turntrans-88.8-25.7176.849.70000114.2T267 R288 F289T267-S269 PolarHBondContact O-N 2.97Å; T267-S269 PolarHBondContact OG1-OG 3.44Å; S269-R288 CarbonylContact O-C 3.53Å; S269-R288 WeakPolarHBondContact O-CA 3.37Å; S269-F289 PolarHBondContact O-N 3.03Å
270E76.4Confident85.1Confident38 Ų3847.4 Ų47.418%0.17826%0.257CS..EExtended strand (participates in β ladder)trans-133.974.6-179.4-68176.3160.500109.2C263 T267 K286 R288C263-E270 VanDerWaalsContact CB-O 3.29Å; C263-E270 WeakPolarHBondContact CB-O 3.38Å; C263-E270 PolarHBondContact SG-O 2.84Å; T267-E270 CarbonylContact O-C 3.59Å; T267-E270 PolarHBondContact O-N 3.37Å; T267-E270 PolarHBondContact OG1-N 3.04Å; E270-K286 HydrophobicContact CG-CD 4.24Å; E270-K286 WeakPolarHBondContact OE1-CD 3.29Å; E270-K286 IonicContact OE1-NZ 2.91Å; E270-K286 PolarHBondContact OE1-NZ 2.94Å; E270-K286 WeakPolarHBondContact OE2-CD 3.48Å; E270-K286 WeakPolarHBondContact OE2-CE 3.37Å; E270-K286 IonicContact OE2-NZ 3.28Å; E270-K286 PolarHBondContact OE2-NZ 2.82Å; E270-R288 HydrophobicContact CG-CG 3.73Å
271P82.2Confident84.9Confident33 Ų3351 Ų5121%0.21427%0.272CS..EExtended strand (participates in β ladder)trans-75.1-28.7-176.829.1-35.4000113.2C263 F289C263-P271 PolarHBondContact N-O 3.07Å; P271-F289 HydrophobicContact CG-CB 4.48Å
272L91.4Very high84.9Confident5 Ų552 Ų523%0.02628%0.279CS..EExtended strand (participates in β ladder)trans-136.3155.2-164.6-64.6170.8000112.8Y230 Y236 V260 R261 I287 V311Y230-L272 HydrophobicContact CD2-CD1 4.1Å; Y230-L272 HydrophobicContact CE2-CD1 3.71Å; Y236-L272 HydrophobicContact CD2-CD2 4.49Å; Y236-L272 HydrophobicContact CE2-CD2 3.68Å; V260-L272 HydrophobicContact CG1-CB 4.11Å; V260-L272 HydrophobicContact CG1-CD1 4.43Å; V260-L272 HydrophobicContact CG1-CD2 4.26Å; R261-L272 WeakPolarHBondContact O-CA 3.33Å; L272-I287 HydrophobicContact CB-CB 4.07Å; L272-I287 HydrophobicContact CB-CD1 3.93Å; L272-I287 PolarHBondContact O-N 3.01Å; L272-V311 HydrophobicContact CD1-CG2 3.85Å
273V93.4Very high84.9Confident8 Ų852.1 Ų52.15%0.04828%0.279CS..EExtended strand (participates in β ladder)trans-126.9124.2172.8-171.10000109.5V260 R261 C263 V275 N284V260-V273 WeakPolarHBondContact CA-O 3.46Å; R261-V273 HydrophobicContact CG-CB 4.27Å; R261-V273 PolarHBondContact N-O 2.85Å; R261-V273 PolarHBondContact O-N 2.84Å; C263-V273 HydrophobicContact CB-CG2 4.43Å; C263-V273 WeakPolarHBondContact SG-CG2 3.46Å; V273-V275 HydrophobicContact CG1-CG2 4.11Å; V273-N284 HydrophobicContact CG1-CB 4.01Å
274L94.6Very high85.2Confident0 Ų054 Ų540%029%0.288CS..EExtended strand (participates in β ladder)trans-81122.3162.3171.760.1000108.4Y258 V260 V276 V285 I287 L298 I315 I323 L342Y258-L274 HydrophobicContact CD2-CD1 4.03Å; Y258-L274 HydrophobicContact CG-CD1 4.46Å; V260-L274 HydrophobicContact CG2-CB 4.37Å; V260-L274 HydrophobicContact CG2-CD1 3.93Å; L274-V276 HydrophobicContact CD1-CG2 4.05Å; L274-V276 HydrophobicContact CD2-CG2 4.16Å; L274-V276 HydrophobicContact CG-CG2 3.76Å; L274-V285 HydrophobicContact CB-CB 4.45Å; L274-V285 PolarHBondContact N-O 2.79Å; L274-V285 PolarHBondContact O-N 2.9Å; L274-I287 HydrophobicContact CB-CD1 4.06Å; L274-I287 HydrophobicContact CB-CG1 4.26Å; L274-L298 HydrophobicContact CD2-CD2 4.32Å; L274-I315 HydrophobicContact CD1-CD1 3.8Å; L274-I315 HydrophobicContact CD2-CD1 4.26Å; L274-I323 HydrophobicContact CD2-CD1 3.82Å; L274-L342 HydrophobicContact CD2-CD1 4.12Å
275V95.1Very high85.8Confident0 Ų050.5 Ų50.50%026%0.263CS..EExtended strand (participates in β ladder)trans-109.3126.2177.7-161.80000108.1L249 Y258 L259 R261 V273 V282 Y283L249-V275 HydrophobicContact CD1-CB 3.8Å; L249-V275 HydrophobicContact CD1-CG1 3.35Å; Y258-V275 CarbonylContact C-O 3.57Å; Y258-V275 WeakPolarHBondContact CA-O 3.19Å; Y258-V275 WeakPolarHBondContact CB-O 3.39Å; L259-V275 HydrophobicContact CD1-CB 4.13Å; L259-V275 HydrophobicContact CD1-CG2 3.94Å; L259-V275 HydrophobicContact CG-CB 4.27Å; L259-V275 PolarHBondContact N-O 3.33Å; L259-V275 PolarHBondContact O-N 3.41Å; R261-V275 HydrophobicContact CG-CG2 4Å; V273-V275 HydrophobicContact CG1-CG2 4.11Å; V275-V282 HydrophobicContact CG1-CG1 3.29Å; V275-Y283 CarbonylContact C-O 3.59Å; V275-Y283 WeakPolarHBondContact CA-O 3.14Å
276V95.3Very high86.8Confident0 Ų048.8 Ų48.80%025%0.25CS..EExtended strand (participates in β ladder)trans-129.2133.3-174.3-170.50000110.4A257 L274 V282 Y283 L325 L342A257-V276 CarbonylContact O-C 3.6Å; A257-V276 WeakPolarHBondContact O-CA 3.24Å; L274-V276 HydrophobicContact CD1-CG2 4.05Å; L274-V276 HydrophobicContact CD2-CG2 4.16Å; L274-V276 HydrophobicContact CG-CG2 3.76Å; V276-V282 WeakPolarHBondContact O-CA 3.36Å; V276-Y283 PolarHBondContact N-O 3.39Å; V276-Y283 PolarHBondContact O-N 2.75Å; V276-L325 HydrophobicContact CG1-CD1 4.45Å; V276-L342 HydrophobicContact CG1-CD2 4.02Å; V276-L342 HydrophobicContact CG2-CD2 3.77Å
277F94.9Very high88Confident4 Ų444.4 Ų44.42%0.01823%0.227CC..EExtended strand (participates in β ladder)trans-94.1123.2170.1-176.4-84.7000110.5L249 H250 N253 K254 G256 A257 K280 K281 V282L249-F277 HydrophobicContact CB-CB 4.22Å; L249-F277 HydrophobicContact CB-CD2 4.45Å; L249-F277 HydrophobicContact CD2-CB 3.82Å; H250-F277 AromaticContact ND1-CE2 3.64Å; N253-F277 HydrophobicContact CB-CZ 4.4Å; N253-F277 WeakPolarHBondContact OD1-CZ 3.43Å; K254-F277 WeakPolarHBondContact O-CD1 3.34Å; G256-F277 PolarHBondContact N-O 2.79Å; A257-F277 HydrophobicContact CB-CB 4.35Å; A257-F277 PolarHBondContact O-N 2.98Å; F277-K280 HydrophobicContact CZ-CB 4.5Å; F277-K281 WeakPolarHBondContact CA-O 3.46Å; F277-V282 HydrophobicContact CD2-CG2 3.85Å
278H94.3Very high88.9Confident18 Ų1845.8 Ų45.88%0.08323%0.225CC..EExtended strand (participates in β ladder)trans-150.5140177.5-175.456.8000110.6D255 K280 K281 Y283 L325 E338 C340D255-H278 VanDerWaalsContact CG-ND1 3.27Å; D255-H278 VanDerWaalsContact OD1-CA 3.29Å; D255-H278 WeakPolarHBondContact OD1-CA 3.16Å; D255-H278 IonicContact OD1-CE1 2.83Å; D255-H278 IonicContact OD1-CG 2.81Å; D255-H278 IonicContact OD1-ND1 2.66Å; D255-H278 PolarHBondContact OD1-ND1 2.85Å; D255-H278 IonicContact OD2-CE1 2.73Å; D255-H278 PolarHBondContact OD2-CE1 3.01Å; D255-H278 IonicContact OD2-ND1 3.89Å; D255-H278 PolarHBondContact OD2-ND1 3.09Å; H278-K280 PolarHBondContact O-N 3.2Å; H278-K280 VanDerWaalsContact O-N 3.14Å; H278-K281 PolarHBondContact N-O 3.34Å; H278-K281 WeakPolarHBondContact O-CB 3.29Å; H278-K281 PolarHBondContact O-N 2.89Å; H278-K281 VanDerWaalsContact O-O 3.05Å; H278-Y283 HydrophobicContact CB-CD2 4.28Å; H278-Y283 HydrophobicContact CB-CE2 4.23Å; H278-L325 HydrophobicContact CB-CD1 3.74Å; H278-E338 IonicContact CD2-OE2 2.7Å; H278-C340 HydrophobicContact CB-CB 4.07Å
279E89.9Confident89.9Confident107 Ų10741.1 Ų41.150%0.520%0.198SC..THydrogen-bonded Turntrans48.739.6-179.9-64.9-163.9164.700114.8D255 K281D255-E279 PolarHBondContact OD1-N 3.12Å; E279-K281 PolarHBondContact O-N 2.75Å; E279-K281 IonicContact OE2-NZ 3.9Å; E279-K281 PolarHBondContact OE2-NZ 3.12Å
280K88.9Confident90.9Very high167 Ų16740.3 Ų40.373%0.72619%0.188SC*.THydrogen-bonded Turntrans64.817.4-176.5-48.4176-178.6177.50114.9H250 F277 H278H250-K280 PolarHBondContact CE1-O 2.81Å; F277-K280 HydrophobicContact CZ-CB 4.5Å; H278-K280 PolarHBondContact O-N 3.2Å; H278-K280 VanDerWaalsContact O-N 3.14Å
281K91.7Very high91.3Very high74 Ų7440.9 Ų40.932%0.32220%0.203SC..EExtended strand (participates in β ladder)trans-119.4153.1176.5-54.4158.8-153.2143.60109F277 H278 E279 Y283 E338F277-K281 WeakPolarHBondContact CA-O 3.46Å; H278-K281 PolarHBondContact N-O 3.34Å; H278-K281 WeakPolarHBondContact O-CB 3.29Å; H278-K281 PolarHBondContact O-N 2.89Å; H278-K281 VanDerWaalsContact O-O 3.05Å; E279-K281 PolarHBondContact O-N 2.75Å; E279-K281 IonicContact OE2-NZ 3.9Å; E279-K281 PolarHBondContact OE2-NZ 3.12Å; K281-Y283 HydrophobicContact CB-CD2 4.46Å; K281-Y283 HydrophobicContact CB-CE2 3.84Å; K281-Y283 HydrophobicContact CD-CE2 4.23Å; K281-Y283 VanDerWaalsContact CD-OH 3.27Å; K281-Y283 WeakPolarHBondContact CD-OH 3.15Å; K281-E338 IonicContact NZ-OE1 3.62Å; K281-E338 PolarHBondContact NZ-OE1 3.4Å; K281-E338 IonicContact NZ-OE2 3.73Å; K281-E338 PolarHBondContact NZ-OE2 2.88Å
282V92.7Very high91.6Very high28 Ų2844.5 Ų44.517%0.1723%0.229CC..EExtended strand (participates in β ladder)trans-107.4127.6170.1-178.70000110.4E246 L249 V275 V276 F277E246-V282 HydrophobicContact CB-CG1 4.45Å; E246-V282 HydrophobicContact CG-CB 4.19Å; E246-V282 HydrophobicContact CG-CG1 3.77Å; L249-V282 HydrophobicContact CB-CG2 3.99Å; L249-V282 HydrophobicContact CD1-CG1 3.95Å; V275-V282 HydrophobicContact CG1-CG1 3.29Å; V276-V282 WeakPolarHBondContact O-CA 3.36Å; F277-V282 HydrophobicContact CD2-CG2 3.85Å
283Y92.1Very high91.5Very high13 Ų1349 Ų495%0.05125%0.253CS..EExtended strand (participates in β ladder)trans-105127.5179.7-71.1-82.1000110.3V275 V276 H278 K281 L325 E338V275-Y283 CarbonylContact C-O 3.59Å; V275-Y283 WeakPolarHBondContact CA-O 3.14Å; V276-Y283 PolarHBondContact N-O 3.39Å; V276-Y283 PolarHBondContact O-N 2.75Å; H278-Y283 HydrophobicContact CB-CD2 4.28Å; H278-Y283 HydrophobicContact CB-CE2 4.23Å; K281-Y283 HydrophobicContact CB-CD2 4.46Å; K281-Y283 HydrophobicContact CB-CE2 3.84Å; K281-Y283 HydrophobicContact CD-CE2 4.23Å; K281-Y283 VanDerWaalsContact CD-OH 3.27Å; K281-Y283 WeakPolarHBondContact CD-OH 3.15Å; Y283-L325 HydrophobicContact CD1-CB 3.95Å; Y283-L325 HydrophobicContact CD2-CB 4.24Å; Y283-L325 HydrophobicContact CD2-CD1 3.63Å; Y283-L325 HydrophobicContact CD2-CG 4.37Å; Y283-L325 HydrophobicContact CE1-CB 4.11Å; Y283-L325 HydrophobicContact CE2-CB 4.35Å; Y283-L325 HydrophobicContact CE2-CD1 4.03Å; Y283-L325 HydrophobicContact CG-CB 4.02Å; Y283-L325 HydrophobicContact CG-CD1 4.01Å; Y283-L325 HydrophobicContact CG-CD2 4.15Å; Y283-L325 HydrophobicContact CG-CG 4.28Å; Y283-E338 PolarHBondContact OH-OE1 3.5Å; Y283-E338 VanDerWaalsContact OH-OE1 3.1Å; Y283-E338 PolarHBondContact OH-OE2 3.31Å
284N92.3Very high91.3Very high48 Ų4858.3 Ų58.326%0.25729%0.287SS..EExtended strand (participates in β ladder)trans-102.3100.2173.9-74.1-110.4000108.7E246 R261 V273E246-N284 PolarHBondContact OE1-ND2 2.82Å; R261-N284 PolarHBondContact NH2-OD1 3.27Å; V273-N284 HydrophobicContact CG1-CB 4.01Å
285V91.6Very high91.2Very high21 Ų2161.6 Ų61.613%0.12730%0.301CS..EExtended strand (participates in β ladder)trans-97.5111.9177.3-169.70000108.8L274 L298 I323 L325L274-V285 HydrophobicContact CB-CB 4.45Å; L274-V285 PolarHBondContact N-O 2.79Å; L274-V285 PolarHBondContact O-N 2.9Å; V285-L298 HydrophobicContact CG1-CB 4.13Å; V285-L298 HydrophobicContact CG1-CD2 3.74Å; V285-L298 HydrophobicContact CG1-CG 4.45Å; V285-I323 HydrophobicContact CG1-CD1 4.32Å; V285-I323 HydrophobicContact CG2-CD1 4.26Å; V285-L325 HydrophobicContact CG2-CD2 3.87Å
286K91.2Very high91Very high82 Ų8262.1 Ų62.136%0.35730%0.303SS..EExtended strand (participates in β ladder)trans-63.4141.9175.8-61.5-165.8-177.7-174.50110.9E270 L298 G299E270-K286 HydrophobicContact CG-CD 4.24Å; E270-K286 WeakPolarHBondContact OE1-CD 3.29Å; E270-K286 IonicContact OE1-NZ 2.91Å; E270-K286 PolarHBondContact OE1-NZ 2.94Å; E270-K286 WeakPolarHBondContact OE2-CD 3.48Å; E270-K286 WeakPolarHBondContact OE2-CE 3.37Å; E270-K286 IonicContact OE2-NZ 3.28Å; E270-K286 PolarHBondContact OE2-NZ 2.82Å; K286-L298 CarbonylContact O-C 3.53Å; K286-G299 PolarHBondContact O-N 2.97Å
287I91.8Very high90.8Very high0 Ų062.5 Ų62.50%031%0.307CS..EExtended strand (participates in β ladder)trans-106.4122.2168.5-59163.3000107.1V260 L272 L274 Y296 L298 V311 I314V260-I287 HydrophobicContact CG1-CD1 3.93Å; V260-I287 HydrophobicContact CG2-CD1 4.38Å; L272-I287 HydrophobicContact CB-CB 4.07Å; L272-I287 HydrophobicContact CB-CD1 3.93Å; L272-I287 PolarHBondContact O-N 3.01Å; L274-I287 HydrophobicContact CB-CD1 4.06Å; L274-I287 HydrophobicContact CB-CG1 4.26Å; I287-Y296 HydrophobicContact CG2-CD1 3.98Å; I287-L298 HydrophobicContact CG1-CD2 3.9Å; I287-V311 HydrophobicContact CD1-CG1 3.8Å; I287-V311 HydrophobicContact CD1-CG2 4.42Å; I287-V311 HydrophobicContact CG2-CG2 4.06Å; I287-I314 HydrophobicContact CG2-CD1 4Å
288R90.2Very high90.5Very high88 Ų8862.7 Ų62.733%0.33231%0.308SS..EExtended strand (participates in β ladder)trans-103.6143179.8-73.7172.671.4-170.55.9111S269 E270 Y296 A297 G299 T300S269-R288 CarbonylContact O-C 3.53Å; S269-R288 WeakPolarHBondContact O-CA 3.37Å; E270-R288 HydrophobicContact CG-CG 3.73Å; R288-Y296 CarbonylContact O-C 3.4Å; R288-Y296 VanDerWaalsContact O-CA 3.27Å; R288-Y296 WeakPolarHBondContact O-CA 3.48Å; R288-A297 PolarHBondContact N-O 2.96Å; R288-A297 PolarHBondContact O-N 2.79Å; R288-G299 WeakPolarHBondContact CD-O 3.37Å; R288-T300 PolarHBondContact NH1-O 3.4Å
289F89.7Confident90.1Very high65 Ų6562.7 Ų62.729%0.28531%0.313SS..EExtended strand (participates in β ladder)trans-101.1122169.3-175.4-117.1000110.4S269 P271 G291 R294 Y296S269-F289 PolarHBondContact O-N 3.03Å; P271-F289 HydrophobicContact CG-CB 4.48Å; F289-G291 PolarHBondContact O-N 2.81Å; F289-R294 HydrophobicContact CE2-CB 4.43Å; F289-R294 HydrophobicContact CZ-CB 4.19Å; F289-R294 HydrophobicContact CZ-CG 4.4Å; F289-Y296 HydrophobicContact CB-CD1 4.35Å; F289-Y296 HydrophobicContact CB-CE1 4.1Å; F289-Y296 AromaticContact CD2-CD1 3.97Å; F289-Y296 HydrophobicContact CD2-CD1 3.97Å; F289-Y296 HydrophobicContact CD2-CD2 4.49Å; F289-Y296 AromaticContact CD2-CE1 3.5Å; F289-Y296 HydrophobicContact CD2-CE1 3.5Å; F289-Y296 VanDerWaalsContact CD2-CE1 3.5Å; F289-Y296 HydrophobicContact CD2-CE2 4.07Å; F289-Y296 HydrophobicContact CD2-CG 4.43Å; F289-Y296 AromaticContact CD2-CZ 3.53Å; F289-Y296 HydrophobicContact CE2-CE1 4.31Å; F289-Y296 HydrophobicContact CE2-CE2 4.17Å; F289-Y296 AromaticContact CE2-CZ 3.87Å; F289-Y296 HydrophobicContact CG-CE1 4.16Å
290I88.9Confident89.2Confident48 Ų4862.5 Ų62.525%0.24632%0.319CS..EExtended strand (participates in β ladder)trans-94.288.3177.8-55177.4000107.6S292 L293 R294 K295 A297 M307I290-S292 PolarHBondContact O-N 3Å; I290-S292 VanDerWaalsContact O-N 3.15Å; I290-L293 HydrophobicContact CG2-CB 4.22Å; I290-L293 HydrophobicContact CG2-CD1 4.35Å; I290-L293 HydrophobicContact CG2-CG 4.28Å; I290-L293 PolarHBondContact O-N 3.24Å; I290-R294 WeakPolarHBondContact O-CA 3.42Å; I290-R294 PolarHBondContact O-N 2.98Å; I290-K295 WeakPolarHBondContact CB-O 3.29Å; I290-K295 PolarHBondContact N-O 3.21Å; I290-K295 PolarHBondContact O-N 2.99Å; I290-A297 HydrophobicContact CD1-CB 3.9Å; I290-M307 HydrophobicContact CD1-CG 4.25Å; I290-M307 HydrophobicContact CD1-SD 4.2Å
291G86.2Confident88Confident49 Ų4956.6 Ų56.651%0.50531%0.306SS..THydrogen-bonded Turntrans-56.6-31.7-173.600000115F289 L293 R294F289-G291 PolarHBondContact O-N 2.81Å; G291-L293 VanDerWaalsContact C-N 3.33Å; G291-L293 PolarHBondContact O-N 3.23Å; G291-R294 PolarHBondContact O-N 3.22Å
292S88.4Confident86.5Confident109 Ų10960.8 Ų60.876%0.76233%0.327SS*.THydrogen-bonded Turntrans-66.9-29.3177.952.40000114.1I290I290-S292 PolarHBondContact O-N 3Å; I290-S292 VanDerWaalsContact O-N 3.15Å
293L88.6Confident84.9Confident100 Ų10068.8 Ų68.852%0.52435%0.354SS..THydrogen-bonded Turntrans-109.1-6.6179.1-62.5178000112.7I290 G291 K295 M307I290-L293 HydrophobicContact CG2-CB 4.22Å; I290-L293 HydrophobicContact CG2-CD1 4.35Å; I290-L293 HydrophobicContact CG2-CG 4.28Å; I290-L293 PolarHBondContact O-N 3.24Å; G291-L293 VanDerWaalsContact C-N 3.33Å; G291-L293 PolarHBondContact O-N 3.23Å; L293-K295 HydrophobicContact CB-CB 4.37Å; L293-K295 HydrophobicContact CB-CG 4.34Å; L293-K295 PolarHBondContact O-N 3.45Å; L293-M307 HydrophobicContact CD1-CE 4.42Å; L293-M307 HydrophobicContact CD1-SD 3.63Å
294R89.1Confident83.7Confident203 Ų20369.7 Ų69.777%0.76636%0.362SS*.THydrogen-bonded Turntrans50.536.7-168.4-59.9-176.5175.9-175.4-1.2113.4F289 I290 G291F289-R294 HydrophobicContact CE2-CB 4.43Å; F289-R294 HydrophobicContact CZ-CB 4.19Å; F289-R294 HydrophobicContact CZ-CG 4.4Å; I290-R294 WeakPolarHBondContact O-CA 3.42Å; I290-R294 PolarHBondContact O-N 2.98Å; G291-R294 PolarHBondContact O-N 3.22Å
295K91.6Very high82.7Confident69 Ų6974.5 Ų74.530%0.339%0.388SS..EExtended strand (participates in β ladder)trans-116.1156.9-179.8-70.1-167.5179.5-164.40112.4I290 L293 M307 F308I290-K295 WeakPolarHBondContact CB-O 3.29Å; I290-K295 PolarHBondContact N-O 3.21Å; I290-K295 PolarHBondContact O-N 2.99Å; L293-K295 HydrophobicContact CB-CB 4.37Å; L293-K295 HydrophobicContact CB-CG 4.34Å; L293-K295 PolarHBondContact O-N 3.45Å; K295-M307 HydrophobicContact CB-CB 4.21Å; K295-M307 HydrophobicContact CD-CB 3.84Å; K295-F308 CarbonylContact C-O 3.52Å; K295-F308 VanDerWaalsContact CA-O 3.31Å; K295-F308 WeakPolarHBondContact CA-O 3.16Å; K295-F308 WeakPolarHBondContact CB-O 3.5Å
296Y91.3Very high82.5Confident11 Ų1177.4 Ų77.44%0.04340%0.403CS..EExtended strand (participates in β ladder)trans-98.8144.8173.9-61-86.8000110.9Q228 Y230 I287 R288 F289 M307 F308 E309 V311Q228-Y296 VanDerWaalsContact CD-OH 3.29Å; Q228-Y296 PolarHBondContact NE2-OH 2.56Å; Q228-Y296 PolarHBondContact OE1-OH 2.83Å; Y230-Y296 PolarHBondContact OH-OH 2.81Å; I287-Y296 HydrophobicContact CG2-CD1 3.98Å; R288-Y296 CarbonylContact O-C 3.4Å; R288-Y296 VanDerWaalsContact O-CA 3.27Å; R288-Y296 WeakPolarHBondContact O-CA 3.48Å; F289-Y296 HydrophobicContact CB-CD1 4.35Å; F289-Y296 HydrophobicContact CB-CE1 4.1Å; F289-Y296 AromaticContact CD2-CD1 3.97Å; F289-Y296 HydrophobicContact CD2-CD1 3.97Å; F289-Y296 HydrophobicContact CD2-CD2 4.49Å; F289-Y296 AromaticContact CD2-CE1 3.5Å; F289-Y296 HydrophobicContact CD2-CE1 3.5Å; F289-Y296 VanDerWaalsContact CD2-CE1 3.5Å; F289-Y296 HydrophobicContact CD2-CE2 4.07Å; F289-Y296 HydrophobicContact CD2-CG 4.43Å; F289-Y296 AromaticContact CD2-CZ 3.53Å; F289-Y296 HydrophobicContact CE2-CE1 4.31Å; F289-Y296 HydrophobicContact CE2-CE2 4.17Å; F289-Y296 AromaticContact CE2-CZ 3.87Å; F289-Y296 HydrophobicContact CG-CE1 4.16Å; Y296-M307 WeakPolarHBondContact O-CA 3.35Å; Y296-F308 PolarHBondContact N-O 2.81Å; Y296-F308 PolarHBondContact O-N 3.44Å; Y296-E309 WeakPolarHBondContact CE2-O 3.38Å; Y296-V311 HydrophobicContact CD1-CG2 4.02Å; Y296-V311 HydrophobicContact CE1-CG2 4.27Å; Y296-V311 HydrophobicContact CG-CG2 4.25Å
297A90.9Very high82.5Confident9 Ų977.9 Ų77.97%0.07441%0.407CS..EExtended strand (participates in β ladder)trans-139.4151.2173.100000110.1R288 I290R288-A297 PolarHBondContact N-O 2.96Å; R288-A297 PolarHBondContact O-N 2.79Å; I290-A297 HydrophobicContact CD1-CB 3.9Å
298L90.2Very high82.5Confident8 Ų879.1 Ų79.14%0.04241%0.413CS..EExtended strand (participates in β ladder)trans-86.2157.1177.4-73166.1000112.1L274 V285 K286 I287 S304 I314 H318 I323L274-L298 HydrophobicContact CD2-CD2 4.32Å; V285-L298 HydrophobicContact CG1-CB 4.13Å; V285-L298 HydrophobicContact CG1-CD2 3.74Å; V285-L298 HydrophobicContact CG1-CG 4.45Å; K286-L298 CarbonylContact O-C 3.53Å; I287-L298 HydrophobicContact CG1-CD2 3.9Å; L298-S304 PolarHBondContact O-OG 2.94Å; L298-I314 HydrophobicContact CD1-CG2 3.66Å; L298-I314 HydrophobicContact CD2-CD1 4.5Å; L298-I314 HydrophobicContact CD2-CG2 4.01Å; L298-I314 HydrophobicContact CG-CD1 4.4Å; L298-I314 HydrophobicContact CG-CG2 3.94Å; L298-H318 WeakPolarHBondContact CD1-NE2 3.37Å; L298-I323 HydrophobicContact CD1-CD1 3.66Å; L298-I323 HydrophobicContact CD1-CG1 4.24Å; L298-I323 HydrophobicContact CD2-CD1 4.49Å
299G84.6Confident82.5Confident18 Ų1882.4 Ų82.419%0.18643%0.432CS..THydrogen-bonded Turntrans64.1-161.6170.100000114.7K286 R288 G301K286-G299 PolarHBondContact O-N 2.97Å; R288-G299 WeakPolarHBondContact CD-O 3.37Å; G299-G301 VanDerWaalsContact C-N 3.26Å; G299-G301 PolarHBondContact O-N 3.48Å
300T71.3Confident82.7Confident102 Ų10281.3 Ų81.363%0.62643%0.432SS*.THydrogen-bonded Turntrans-85.713.5-17945.30000113.9R288 Q302R288-T300 PolarHBondContact NH1-O 3.4Å; T300-Q302 PolarHBondContact O-N 3.31Å
301G63.8Low82.8Confident44 Ų4479 Ų7945%0.45442%0.42SS..SBendtrans71.74.3177.400000115.6G299G299-G301 VanDerWaalsContact C-N 3.26Å; G299-G301 PolarHBondContact O-N 3.48Å
302Q59.3Low83.1Confident162 Ų16278.1 Ų78.176%0.75741%0.408SS*.SBendtrans-88.1-7.8178.3-156.9-175.98.800113.4T300T300-Q302 PolarHBondContact O-N 3.31Å
303R59.8Low83.3Confident196 Ų19674.2 Ų74.274%0.7439%0.385SS*.SBendtrans-141.6-34.6-174.4-73-161168.7106.13.7115.7
304S66.2Low83.6Confident32 Ų3269.4 Ų69.422%0.22436%0.36CS..  trans-92.8109.2174.925.80000109.1L298 D306L298-S304 PolarHBondContact O-OG 2.94Å; S304-D306 VanDerWaalsContact C-N 3.32Å
305N72.2Confident83.8Confident149 Ų14960 Ų6080%0.79733%0.325SS*.  trans-90.6-4.3173.4-136.320.5000111.7
306D86.9Confident83.9Confident82 Ų8264.4 Ų64.444%0.43934%0.344SS..  trans-75.1127.7-175.9-50.2-51.4000110.6S304 F308S304-D306 VanDerWaalsContact C-N 3.32Å; D306-F308 HydrophobicContact CB-CE2 3.54Å; D306-F308 HydrophobicContact CB-CZ 3.7Å
307M90.6Very high84.1Confident92 Ų9267.3 Ų67.345%0.45336%0.357SS..  trans-122.7126.5-177.2-67.5-178.8-73.300110.4I290 L293 K295 Y296I290-M307 HydrophobicContact CD1-CG 4.25Å; I290-M307 HydrophobicContact CD1-SD 4.2Å; L293-M307 HydrophobicContact CD1-CE 4.42Å; L293-M307 HydrophobicContact CD1-SD 3.63Å; K295-M307 HydrophobicContact CB-CB 4.21Å; K295-M307 HydrophobicContact CD-CB 3.84Å; Y296-M307 WeakPolarHBondContact O-CA 3.35Å
308F92.3Very high84.2Confident25 Ų2567.4 Ų67.411%0.1136%0.356CS..BIsolated β-bridgetrans-117.4151.8-171.1-57-93.1000111K295 Y296 D306 I314 F317K295-F308 CarbonylContact C-O 3.52Å; K295-F308 VanDerWaalsContact CA-O 3.31Å; K295-F308 WeakPolarHBondContact CA-O 3.16Å; K295-F308 WeakPolarHBondContact CB-O 3.5Å; Y296-F308 PolarHBondContact N-O 2.81Å; Y296-F308 PolarHBondContact O-N 3.44Å; D306-F308 HydrophobicContact CB-CE2 3.54Å; D306-F308 HydrophobicContact CB-CZ 3.7Å; F308-I314 HydrophobicContact CB-CD1 4.48Å; F308-I314 HydrophobicContact CB-CG1 3.66Å; F308-I314 HydrophobicContact CD1-CG1 4.14Å; F308-I314 HydrophobicContact CD2-CD1 4.22Å; F308-I314 HydrophobicContact CD2-CG1 3.48Å; F308-I314 VanDerWaalsContact CD2-CG1 3.48Å; F308-I314 HydrophobicContact CE2-CG1 4.1Å; F308-I314 HydrophobicContact CG-CB 4.43Å; F308-I314 HydrophobicContact CG-CG1 3.48Å; F308-I314 VanDerWaalsContact CG-CG1 3.48Å; F308-F317 HydrophobicContact CD1-CB 4.44Å; F308-F317 HydrophobicContact CE1-CB 3.62Å; F308-F317 AromaticContact CE1-CD1 3.75Å; F308-F317 HydrophobicContact CE1-CD1 3.75Å; F308-F317 HydrophobicContact CE1-CD2 4.34Å; F308-F317 HydrophobicContact CE1-CE1 4.5Å; F308-F317 AromaticContact CE1-CG 3.66Å; F308-F317 HydrophobicContact CE1-CG 3.66Å; F308-F317 HydrophobicContact CZ-CB 4.38Å; F308-F317 AromaticContact CZ-CD1 3.73Å; F308-F317 HydrophobicContact CZ-CD1 3.73Å; F308-F317 HydrophobicContact CZ-CE1 4.23Å; F308-F317 HydrophobicContact CZ-CG 4.14Å
309E91.8Very high84.4Confident157 Ų15769.6 Ų69.673%0.73437%0.372SS*.SBendtrans-79.9-25.5179.6-65.3174.3176.700112.3Y296Y296-E309 WeakPolarHBondContact CE2-O 3.38Å
310S92.1Very high84.8Confident42 Ų4274.4 Ų74.429%0.29439%0.392SS..SBendtrans-148.9163.1177.470.60000111.8G313 I314S310-G313 WeakPolarHBondContact O-CA 3.16Å; S310-G313 PolarHBondContact O-N 3.36Å; S310-G313 VanDerWaalsContact O-N 3.11Å; S310-G313 PolarHBondContact OG-N 3.01Å; S310-I314 PolarHBondContact O-N 2.92Å
311V91.6Very high85.8Confident0 Ų074.7 Ų74.70%039%0.385CS..Hα-helixtrans-65.7-38172.9-178.80000111.5Y230 W235 V260 L272 I287 Y296 G313 I314 I315Y230-V311 HydrophobicContact CE1-CB 3.96Å; Y230-V311 HydrophobicContact CE1-CG2 4.27Å; Y230-V311 HydrophobicContact CE2-CG2 4.33Å; W235-V311 HydrophobicContact CH2-CB 4.09Å; W235-V311 HydrophobicContact CH2-CG1 3.6Å; W235-V311 HydrophobicContact CZ3-CG1 3.8Å; V260-V311 HydrophobicContact CG2-CG1 4.36Å; L272-V311 HydrophobicContact CD1-CG2 3.85Å; I287-V311 HydrophobicContact CD1-CG1 3.8Å; I287-V311 HydrophobicContact CD1-CG2 4.42Å; I287-V311 HydrophobicContact CG2-CG2 4.06Å; Y296-V311 HydrophobicContact CD1-CG2 4.02Å; Y296-V311 HydrophobicContact CE1-CG2 4.27Å; Y296-V311 HydrophobicContact CG-CG2 4.25Å; V311-G313 PolarHBondContact O-N 3.25Å; V311-I314 WeakPolarHBondContact O-CA 3.41Å; V311-I314 VanDerWaalsContact O-CB 3.28Å; V311-I314 WeakPolarHBondContact O-CB 3.31Å; V311-I314 PolarHBondContact O-N 3.08Å; V311-I315 WeakPolarHBondContact O-CG1 3.2Å; V311-I315 PolarHBondContact O-N 2.99Å
312A93.3Very high87.1Confident31 Ų3175.8 Ų75.826%0.25638%0.384SS..Hα-helixtrans-56.3-35.7169.700000112.3W235 I315 K316W235-A312 HydrophobicContact CZ2-CB 4.09Å; A312-I315 PolarHBondContact O-N 3.25Å; A312-K316 VanDerWaalsContact O-CB 3.23Å; A312-K316 WeakPolarHBondContact O-CB 3.47Å; A312-K316 PolarHBondContact O-N 2.64Å
313G93Very high88.6Confident26 Ų2668.3 Ų68.327%0.26835%0.349SS..Hα-helixtrans-62.5-41171.700000113.4S310 V311 F317S310-G313 WeakPolarHBondContact O-CA 3.16Å; S310-G313 PolarHBondContact O-N 3.36Å; S310-G313 VanDerWaalsContact O-N 3.11Å; S310-G313 PolarHBondContact OG-N 3.01Å; V311-G313 PolarHBondContact O-N 3.25Å; G313-F317 WeakPolarHBondContact O-CB 3.07Å; G313-F317 PolarHBondContact O-N 3.36Å
314I93.1Very high90Very high0 Ų062.7 Ų62.70%034%0.337CS..Hα-helixtrans-59.4-52.4172.6-63174.7000110.3I287 L298 F308 S310 V311 K316 F317 H318I287-I314 HydrophobicContact CG2-CD1 4Å; L298-I314 HydrophobicContact CD1-CG2 3.66Å; L298-I314 HydrophobicContact CD2-CD1 4.5Å; L298-I314 HydrophobicContact CD2-CG2 4.01Å; L298-I314 HydrophobicContact CG-CD1 4.4Å; L298-I314 HydrophobicContact CG-CG2 3.94Å; F308-I314 HydrophobicContact CB-CD1 4.48Å; F308-I314 HydrophobicContact CB-CG1 3.66Å; F308-I314 HydrophobicContact CD1-CG1 4.14Å; F308-I314 HydrophobicContact CD2-CD1 4.22Å; F308-I314 HydrophobicContact CD2-CG1 3.48Å; F308-I314 VanDerWaalsContact CD2-CG1 3.48Å; F308-I314 HydrophobicContact CE2-CG1 4.1Å; F308-I314 HydrophobicContact CG-CB 4.43Å; F308-I314 HydrophobicContact CG-CG1 3.48Å; F308-I314 VanDerWaalsContact CG-CG1 3.48Å; S310-I314 PolarHBondContact O-N 2.92Å; V311-I314 WeakPolarHBondContact O-CA 3.41Å; V311-I314 VanDerWaalsContact O-CB 3.28Å; V311-I314 WeakPolarHBondContact O-CB 3.31Å; V311-I314 PolarHBondContact O-N 3.08Å; I314-K316 PolarHBondContact O-N 3.39Å; I314-F317 PolarHBondContact O-N 3.17Å; I314-H318 PolarHBondContact O-CD2 2.7Å; I314-H318 PolarHBondContact O-N 3.4Å
315I94.1Very high91.1Very high6 Ų661.3 Ų61.33%0.03133%0.327CS..Hα-helixtrans-62.2-45.5-177.2-59-56.7000110.9W235 Y258 V260 L274 V311 A312 F317 H318 S319 L342W235-I315 HydrophobicContact CD2-CG1 4.13Å; W235-I315 HydrophobicContact CE3-CG1 4.37Å; W235-I315 HydrophobicContact CH2-CG1 4.33Å; W235-I315 HydrophobicContact CZ2-CG1 4.03Å; W235-I315 HydrophobicContact CZ3-CG1 4.47Å; Y258-I315 HydrophobicContact CD2-CD1 4.18Å; Y258-I315 HydrophobicContact CE2-CD1 4.04Å; Y258-I315 HydrophobicContact CE2-CG1 4.47Å; Y258-I315 HydrophobicContact CE2-CG2 3.55Å; Y258-I315 VanDerWaalsContact OH-CG2 3.29Å; Y258-I315 WeakPolarHBondContact OH-CG2 3.29Å; V260-I315 HydrophobicContact CG2-CD1 4.09Å; L274-I315 HydrophobicContact CD1-CD1 3.8Å; L274-I315 HydrophobicContact CD2-CD1 4.26Å; V311-I315 WeakPolarHBondContact O-CG1 3.2Å; V311-I315 PolarHBondContact O-N 2.99Å; A312-I315 PolarHBondContact O-N 3.25Å; I315-F317 VanDerWaalsContact C-N 3.34Å; I315-F317 PolarHBondContact O-N 2.61Å; I315-H318 CarbonylContact O-C 3.59Å; I315-H318 PolarHBondContact O-N 2.86Å; I315-S319 PolarHBondContact O-N 3.36Å; I315-L342 HydrophobicContact CD1-CD1 3.76Å; I315-L342 HydrophobicContact CG2-CD1 4.39Å
316K94Very high91.6Very high160 Ų16058.1 Ų58.170%0.69631%0.312SS*.Hα-helixtrans-66-32.5178.9-176.8176.7179.4178.60113.4A312 I314 S319A312-K316 VanDerWaalsContact O-CB 3.23Å; A312-K316 WeakPolarHBondContact O-CB 3.47Å; A312-K316 PolarHBondContact O-N 2.64Å; I314-K316 PolarHBondContact O-N 3.39Å; K316-S319 PolarHBondContact O-OG 3.43Å; K316-S319 VanDerWaalsContact O-OG 3.08Å
317F94.3Very high91.1Very high73 Ų7356.3 Ų56.332%0.3231%0.306SS..Hα-helixtrans-70.4-46.2172.5-180-100.3000110.5F308 G313 I314 I315 S319 I320 F321F308-F317 HydrophobicContact CD1-CB 4.44Å; F308-F317 HydrophobicContact CE1-CB 3.62Å; F308-F317 AromaticContact CE1-CD1 3.75Å; F308-F317 HydrophobicContact CE1-CD1 3.75Å; F308-F317 HydrophobicContact CE1-CD2 4.34Å; F308-F317 HydrophobicContact CE1-CE1 4.5Å; F308-F317 AromaticContact CE1-CG 3.66Å; F308-F317 HydrophobicContact CE1-CG 3.66Å; F308-F317 HydrophobicContact CZ-CB 4.38Å; F308-F317 AromaticContact CZ-CD1 3.73Å; F308-F317 HydrophobicContact CZ-CD1 3.73Å; F308-F317 HydrophobicContact CZ-CE1 4.23Å; F308-F317 HydrophobicContact CZ-CG 4.14Å; G313-F317 WeakPolarHBondContact O-CB 3.07Å; G313-F317 PolarHBondContact O-N 3.36Å; I314-F317 PolarHBondContact O-N 3.17Å; I315-F317 VanDerWaalsContact C-N 3.34Å; I315-F317 PolarHBondContact O-N 2.61Å; F317-S319 VanDerWaalsContact C-N 3.32Å; F317-S319 PolarHBondContact O-N 3.27Å; F317-I320 PolarHBondContact O-N 3.05Å; F317-F321 HydrophobicContact CD1-CB 4.29Å; F317-F321 HydrophobicContact CD1-CD2 4.4Å; F317-F321 AromaticContact CD2-CD2 3.56Å; F317-F321 HydrophobicContact CD2-CD2 3.56Å; F317-F321 HydrophobicContact CD2-CE2 4.01Å; F317-F321 HydrophobicContact CE1-CB 3.89Å; F317-F321 HydrophobicContact CE1-CD2 4.22Å; F317-F321 HydrophobicContact CE1-CG 4.3Å; F317-F321 HydrophobicContact CE2-CB 4.47Å; F317-F321 AromaticContact CE2-CD2 3.32Å; F317-F321 HydrophobicContact CE2-CD2 3.32Å; F317-F321 AromaticContact CE2-CE2 3.7Å; F317-F321 HydrophobicContact CE2-CE2 3.7Å; F317-F321 HydrophobicContact CE2-CG 4.02Å; F317-F321 HydrophobicContact CG-CD2 4.1Å; F317-F321 HydrophobicContact CZ-CB 3.99Å; F317-F321 AromaticContact CZ-CD2 3.69Å; F317-F321 HydrophobicContact CZ-CD2 3.69Å; F317-F321 HydrophobicContact CZ-CE2 4.39Å; F317-F321 AromaticContact CZ-CG 3.9Å; F317-F321 HydrophobicContact CZ-CG 3.9Å; F317-F321 WeakPolarHBondContact O-CD2 3.45Å; F317-F321 PolarHBondContact O-N 3.11Å
318H93.8Very high89.8Confident10 Ų1055.7 Ų55.75%0.04632%0.324CS..Hα-helixtrans-81.4-2.4-175.9-72.4-60000116L298 I314 I315 I320 F321 I323 L342L298-H318 WeakPolarHBondContact CD1-NE2 3.37Å; I314-H318 PolarHBondContact O-CD2 2.7Å; I314-H318 PolarHBondContact O-N 3.4Å; I315-H318 CarbonylContact O-C 3.59Å; I315-H318 PolarHBondContact O-N 2.86Å; H318-I320 VanDerWaalsContact C-N 3.27Å; H318-F321 CarbonylContact C-O 3.59Å; H318-F321 WeakPolarHBondContact CA-O 3.47Å; H318-F321 PolarHBondContact ND1-O 3.45Å; H318-I323 HydrophobicContact CB-CB 4.39Å; H318-L342 HydrophobicContact CB-CD1 3.58Å; H318-L342 HydrophobicContact CB-CG 3.86Å; H318-L342 PolarHBondContact O-N 3.39Å
319S93.7Very high88.4Confident54 Ų5464.1 Ų64.138%0.37836%0.355SS..THydrogen-bonded Turntrans-79.4-9.7164.166.30000113.4I315 K316 F317 V341 L342I315-S319 PolarHBondContact O-N 3.36Å; K316-S319 PolarHBondContact O-OG 3.43Å; K316-S319 VanDerWaalsContact O-OG 3.08Å; F317-S319 VanDerWaalsContact C-N 3.32Å; F317-S319 PolarHBondContact O-N 3.27Å; S319-V341 VanDerWaalsContact C-CG1 3.47Å; S319-V341 WeakPolarHBondContact O-CG1 3.27Å; S319-L342 WeakPolarHBondContact CA-O 3.42Å; S319-L342 WeakPolarHBondContact CB-O 3.21Å
320I93.5Very high86.6Confident120 Ų12063.5 Ų63.562%0.61536%0.356SS*.THydrogen-bonded Turntrans-115.3-45.6174.8-55.8175.5000110.4F317 H318F317-I320 PolarHBondContact O-N 3.05Å; H318-I320 VanDerWaalsContact C-N 3.27Å
321F92.2Very high84.5Confident107 Ų10765.7 Ų65.747%0.46937%0.368SS..SBendtrans-102.3129.9-177.4-62.2-76000111.5F317 H318 I323F317-F321 HydrophobicContact CD1-CB 4.29Å; F317-F321 HydrophobicContact CD1-CD2 4.4Å; F317-F321 AromaticContact CD2-CD2 3.56Å; F317-F321 HydrophobicContact CD2-CD2 3.56Å; F317-F321 HydrophobicContact CD2-CE2 4.01Å; F317-F321 HydrophobicContact CE1-CB 3.89Å; F317-F321 HydrophobicContact CE1-CD2 4.22Å; F317-F321 HydrophobicContact CE1-CG 4.3Å; F317-F321 HydrophobicContact CE2-CB 4.47Å; F317-F321 AromaticContact CE2-CD2 3.32Å; F317-F321 HydrophobicContact CE2-CD2 3.32Å; F317-F321 AromaticContact CE2-CE2 3.7Å; F317-F321 HydrophobicContact CE2-CE2 3.7Å; F317-F321 HydrophobicContact CE2-CG 4.02Å; F317-F321 HydrophobicContact CG-CD2 4.1Å; F317-F321 HydrophobicContact CZ-CB 3.99Å; F317-F321 AromaticContact CZ-CD2 3.69Å; F317-F321 HydrophobicContact CZ-CD2 3.69Å; F317-F321 HydrophobicContact CZ-CE2 4.39Å; F317-F321 AromaticContact CZ-CG 3.9Å; F317-F321 HydrophobicContact CZ-CG 3.9Å; F317-F321 WeakPolarHBondContact O-CD2 3.45Å; F317-F321 PolarHBondContact O-N 3.11Å; H318-F321 CarbonylContact C-O 3.59Å; H318-F321 WeakPolarHBondContact CA-O 3.47Å; H318-F321 PolarHBondContact ND1-O 3.45Å; F321-I323 PolarHBondContact O-N 3.19Å
322P91.4Very high82.6Confident67 Ų6770.3 Ų70.344%0.43541%0.406SS..PPolyproline II helixtrans-61.8134.6-176.224.2-33.2000112.3N339 C340 V341P322-N339 HydrophobicContact CB-CB 4.07Å; P322-C340 CarbonylContact C-O 3.2Å; P322-C340 WeakPolarHBondContact CA-O 2.98Å; P322-V341 HydrophobicContact CB-CG2 4.08Å
323I91.1Very high80.6Confident5 Ų573.7 Ų73.73%0.02643%0.428CS..EExtended strand (participates in β ladder)trans-79132.5168.4-170.3173000109.9L274 V285 L298 H318 F321 L325 C340 L342L274-I323 HydrophobicContact CD2-CD1 3.82Å; V285-I323 HydrophobicContact CG1-CD1 4.32Å; V285-I323 HydrophobicContact CG2-CD1 4.26Å; L298-I323 HydrophobicContact CD1-CD1 3.66Å; L298-I323 HydrophobicContact CD1-CG1 4.24Å; L298-I323 HydrophobicContact CD2-CD1 4.49Å; H318-I323 HydrophobicContact CB-CB 4.39Å; F321-I323 PolarHBondContact O-N 3.19Å; I323-L325 HydrophobicContact CG1-CD2 4.45Å; I323-L325 HydrophobicContact CG2-CD2 3.87Å; I323-L325 HydrophobicContact CG2-CG 4.2Å; I323-L325 PolarHBondContact O-N 3.4Å; I323-C340 HydrophobicContact CG2-CB 4.39Å; I323-C340 WeakPolarHBondContact CG2-O 3.28Å; I323-C340 PolarHBondContact N-O 3.07Å; I323-C340 PolarHBondContact O-N 2.89Å; I323-C340 VanDerWaalsContact O-N 3.12Å; I323-L342 HydrophobicContact CG2-CD2 4.36Å
324T89.3Confident78.8Confident78 Ų7875 Ų7548%0.47943%0.433SS..EExtended strand (participates in β ladder)trans-78.4106.9177-47.60000110.4P337T324-P337 HydrophobicContact CG2-CB 3.57Å; T324-P337 HydrophobicContact CG2-CG 3.96Å
325L88.4Confident77.1Confident3 Ų384.1 Ų84.12%0.01647%0.473CS..EExtended strand (participates in β ladder)trans-92.7127.8-179-59.7178.5000110.8V276 H278 Y283 V285 I323 E338 C340V276-L325 HydrophobicContact CG1-CD1 4.45Å; H278-L325 HydrophobicContact CB-CD1 3.74Å; Y283-L325 HydrophobicContact CD1-CB 3.95Å; Y283-L325 HydrophobicContact CD2-CB 4.24Å; Y283-L325 HydrophobicContact CD2-CD1 3.63Å; Y283-L325 HydrophobicContact CD2-CG 4.37Å; Y283-L325 HydrophobicContact CE1-CB 4.11Å; Y283-L325 HydrophobicContact CE2-CB 4.35Å; Y283-L325 HydrophobicContact CE2-CD1 4.03Å; Y283-L325 HydrophobicContact CG-CB 4.02Å; Y283-L325 HydrophobicContact CG-CD1 4.01Å; Y283-L325 HydrophobicContact CG-CD2 4.15Å; Y283-L325 HydrophobicContact CG-CG 4.28Å; V285-L325 HydrophobicContact CG2-CD2 3.87Å; I323-L325 HydrophobicContact CG1-CD2 4.45Å; I323-L325 HydrophobicContact CG2-CD2 3.87Å; I323-L325 HydrophobicContact CG2-CG 4.2Å; I323-L325 PolarHBondContact O-N 3.4Å; L325-E338 HydrophobicContact CB-CB 4.3Å; L325-E338 PolarHBondContact N-O 3.3Å; L325-E338 PolarHBondContact O-N 3.28Å; L325-C340 HydrophobicContact CD1-CB 3.48Å; L325-C340 VanDerWaalsContact CD1-CB 3.48Å; L325-C340 HydrophobicContact CG-CB 4.29Å
326V83Confident75.3Confident82 Ų8288.5 Ų88.550%0.49750%0.503SS..  trans-117.8111.4-178.9-177.10000109.4
327S76.5Confident74.1Confident45 Ų4584.4 Ų84.432%0.31549%0.493SS..  trans-73.2127.4172.5-179.40000110.7R329S327-R329 PolarHBondContact O-N 2.84Å; S327-R329 PolarHBondContact OG-N 2.99Å; S327-R329 VanDerWaalsContact OG-N 3.15Å; S327-R329 PolarHBondContact OG-O 2.78Å
328G64.3Low73.7Confident79 Ų7982.1 Ų82.181%0.81448%0.483SS*.SBendtrans-69.5-13.1169.800000113.7N330G328-N330 PolarHBondContact O-N 2.78Å
329R62.2Low73.5Confident202 Ų20285.9 Ų85.976%0.76250%0.504SS*.  trans-98.979173.8-72173.563.2175.4-0.6109.2S327 T331S327-R329 PolarHBondContact O-N 2.84Å; S327-R329 PolarHBondContact OG-N 2.99Å; S327-R329 VanDerWaalsContact OG-N 3.15Å; S327-R329 PolarHBondContact OG-O 2.78Å; R329-T331 PolarHBondContact O-N 2.92Å
330N53.2Low73.3Confident143 Ų14383.4 Ų83.477%0.76549%0.486SS*.  trans-74.564.7176.757.3-10.7000112.5G328G328-N330 PolarHBondContact O-N 2.78Å
331T48.8Very low73.4Confident89 Ų8980.1 Ų80.155%0.54647%0.471SS..  trans-63.9133.4161.852.10000108.9R329 S333 S334R329-T331 PolarHBondContact O-N 2.92Å; T331-S333 PolarHBondContact O-N 3.15Å; T331-S334 PolarHBondContact O-N 3.2Å
332A51.4Low73.5Confident96 Ų9675.2 Ų75.279%0.79345%0.45SS*.THydrogen-bonded Turntrans-637.8-163.100000117.8
333S51.7Low73.6Confident102 Ų10275.9 Ų75.971%0.71345%0.453SS*.THydrogen-bonded Turntrans-87.1-34.1177.549.50000114.3T331 K335T331-S333 PolarHBondContact O-N 3.15Å; S333-K335 PolarHBondContact O-N 3.43Å
334S54.8Low73.8Confident55 Ų5577.7 Ų77.739%0.38547%0.466SS..  trans-92.579.318039.80000111.4T331 C336T331-S334 PolarHBondContact O-N 3.2Å; S334-C336 PolarHBondContact O-N 3.5Å
335K56.9Low74Confident191 Ų19176.9 Ų76.983%0.8346%0.462SS*.  trans-75.6-9178.8-66.9-173.8178.71800114.4S333S333-K335 PolarHBondContact O-N 3.43Å
336C58Low74.3Confident97 Ų9777 Ų7766%0.65546%0.462SS*.SBendtrans-116.7144.3179.5-57.90000109.4S334S334-C336 PolarHBondContact O-N 3.5Å
337P68.8Low74.9Confident75 Ų7574.6 Ų74.649%0.48745%0.448SS..  trans-63143.3166.429.4-33.8000109.8T324T324-P337 HydrophobicContact CG2-CB 3.57Å; T324-P337 HydrophobicContact CG2-CG 3.96Å
338E84.1Confident75.6Confident24 Ų2478.6 Ų78.611%0.11246%0.46CS..EExtended strand (participates in β ladder)trans-79.5146.6174.8-72.5165.9-138.700108.8H278 K281 Y283 L325H278-E338 IonicContact CD2-OE2 2.7Å; K281-E338 IonicContact NZ-OE1 3.62Å; K281-E338 PolarHBondContact NZ-OE1 3.4Å; K281-E338 IonicContact NZ-OE2 3.73Å; K281-E338 PolarHBondContact NZ-OE2 2.88Å; Y283-E338 PolarHBondContact OH-OE1 3.5Å; Y283-E338 VanDerWaalsContact OH-OE1 3.1Å; Y283-E338 PolarHBondContact OH-OE2 3.31Å; L325-E338 HydrophobicContact CB-CB 4.3Å; L325-E338 PolarHBondContact N-O 3.3Å; L325-E338 PolarHBondContact O-N 3.28Å
339N89.4Confident76.9Confident90 Ų9079 Ų7948%0.48145%0.45SS..EExtended strand (participates in β ladder)trans-130115.4-172.1-76.1-31.8000109P322P322-N339 HydrophobicContact CB-CB 4.07Å
340C91.1Very high78.3Confident2 Ų272.1 Ų72.11%0.01443%0.429CS..EExtended strand (participates in β ladder)trans-124.1148-173.1-173.50000110.9G256 H278 P322 I323 L325G256-C340 VanDerWaalsContact CA-SG 3.58Å; H278-C340 HydrophobicContact CB-CB 4.07Å; P322-C340 CarbonylContact C-O 3.2Å; P322-C340 WeakPolarHBondContact CA-O 2.98Å; I323-C340 HydrophobicContact CG2-CB 4.39Å; I323-C340 WeakPolarHBondContact CG2-O 3.28Å; I323-C340 PolarHBondContact N-O 3.07Å; I323-C340 PolarHBondContact O-N 2.89Å; I323-C340 VanDerWaalsContact O-N 3.12Å; L325-C340 HydrophobicContact CD1-CB 3.48Å; L325-C340 VanDerWaalsContact CD1-CB 3.48Å; L325-C340 HydrophobicContact CG-CB 4.29Å
341V94.6Very high80.2Confident50 Ų5065.6 Ų65.630%0.30339%0.394SS..  trans-104.4140.2171.8179.10000108.6G256 S319 P322 T343G256-V341 WeakPolarHBondContact CA-O 3.17Å; S319-V341 VanDerWaalsContact C-CG1 3.47Å; S319-V341 WeakPolarHBondContact O-CG1 3.27Å; P322-V341 HydrophobicContact CB-CG2 4.08Å; V341-T343 HydrophobicContact CB-CG2 4.47Å; V341-T343 HydrophobicContact CG1-CG2 4.41Å; V341-T343 PolarHBondContact O-N 3.49Å; V341-T343 VanDerWaalsContact O-N 3.12Å
342L95.1Very high82.2Confident4 Ų465.2 Ų65.22%0.02139%0.391CS..  trans-76.996.5179.2-58.7-176.8000110Y258 L274 V276 I315 H318 S319 I323Y258-L342 HydrophobicContact CD1-CB 3.71Å; Y258-L342 HydrophobicContact CD1-CD2 4.11Å; Y258-L342 HydrophobicContact CD1-CG 4.39Å; Y258-L342 HydrophobicContact CE1-CB 3.7Å; Y258-L342 HydrophobicContact CG-CB 4.28Å; Y258-L342 HydrophobicContact CG-CD2 3.98Å; L274-L342 HydrophobicContact CD2-CD1 4.12Å; V276-L342 HydrophobicContact CG1-CD2 4.02Å; V276-L342 HydrophobicContact CG2-CD2 3.77Å; I315-L342 HydrophobicContact CD1-CD1 3.76Å; I315-L342 HydrophobicContact CG2-CD1 4.39Å; H318-L342 HydrophobicContact CB-CD1 3.58Å; H318-L342 HydrophobicContact CB-CG 3.86Å; H318-L342 PolarHBondContact O-N 3.39Å; S319-L342 WeakPolarHBondContact CA-O 3.42Å; S319-L342 WeakPolarHBondContact CB-O 3.21Å; I323-L342 HydrophobicContact CG2-CD2 4.36Å
343T94Very high84.2Confident81 Ų8167.4 Ų67.450%0.49739%0.385SS..  trans-101.8-37.2-172.157.70000113.6D255 G256 V341D255-T343 PolarHBondContact O-OG1 3.18Å; D255-T343 VanDerWaalsContact O-OG1 3.13Å; G256-T343 WeakPolarHBondContact CA-OG1 3.27Å; G256-T343 PolarHBondContact O-N 3.5Å; G256-T343 PolarHBondContact O-OG1 3.47Å; V341-T343 HydrophobicContact CB-CG2 4.47Å; V341-T343 HydrophobicContact CG1-CG2 4.41Å; V341-T343 PolarHBondContact O-N 3.49Å; V341-T343 VanDerWaalsContact O-N 3.12Å
344C93.6Very high86.1Confident43 Ų4365 Ų6529%0.29136%0.364SS..EExtended strand (participates in β ladder)trans-126.9100-169.1-70.70000111.1G256 A257 Y258G256-C344 PolarHBondContact O-N 3.48Å; G256-C344 VanDerWaalsContact O-N 3.09Å; A257-C344 CarbonylContact C-O 3.59Å; A257-C344 VanDerWaalsContact CA-O 3.24Å; A257-C344 WeakPolarHBondContact CA-O 3.48Å; A257-C344 HydrophobicContact CB-CB 4.18Å; Y258-C344 WeakPolarHBondContact CD1-O 3.2Å; Y258-C344 VanDerWaalsContact CE1-C 3.5Å; Y258-C344 PolarHBondContact N-O 3.44Å
345P94.9Very high87.8Confident61 Ų6165.6 Ų65.640%0.39636%0.362SS..EExtended strand (participates in β ladder)trans-64.9139.4169.228.8-33.5000110W235 Y258W235-P345 HydrophobicContact CB-CB 3.88Å; Y258-P345 HydrophobicContact CE1-CB 4.2Å; Y258-P345 HydrophobicContact CE2-CB 4.26Å
346I94.8Very high88.9Confident6 Ų666.6 Ų66.63%0.03137%0.37CS..  trans-105.4126.8167.5-60.3-176.7000107.7L249 V252 A257 Y258 L259 D350 V351L249-I346 HydrophobicContact CD2-CD1 3.4Å; L249-I346 HydrophobicContact CD2-CG1 4.43Å; L249-I346 HydrophobicContact CG-CD1 3.91Å; V252-I346 HydrophobicContact CB-CD1 4.09Å; V252-I346 HydrophobicContact CG1-CD1 4.36Å; V252-I346 HydrophobicContact CG2-CD1 3.72Å; V252-I346 HydrophobicContact CG2-CG1 4.43Å; A257-I346 HydrophobicContact CB-CD1 4.19Å; A257-I346 HydrophobicContact CB-CG1 4.43Å; Y258-I346 PolarHBondContact O-N 3.26Å; L259-I346 HydrophobicContact CB-CB 4.42Å; L259-I346 HydrophobicContact CD2-CB 4.49Å; I346-D350 HydrophobicContact CG2-CB 3.76Å; I346-V351 HydrophobicContact CG2-CG2 3.75Å
347T94Very high90.5Very high32 Ų3265.1 Ų65.120%0.19636%0.355CS..  trans-85.4162.4-178.574.80000113.2D234 S349 D350 V351D234-T347 HydrophobicContact CB-CG2 4.01Å; D234-T347 VanDerWaalsContact O-CA 3.23Å; D234-T347 WeakPolarHBondContact O-CA 3.36Å; T347-S349 PolarHBondContact O-N 2.81Å; T347-S349 PolarHBondContact OG1-N 2.87Å; T347-D350 WeakPolarHBondContact CA-OD2 3.49Å; T347-D350 VanDerWaalsContact CB-OD2 3.29Å; T347-D350 WeakPolarHBondContact CB-OD2 3.23Å; T347-D350 WeakPolarHBondContact CG2-OD2 3.45Å; T347-D350 PolarHBondContact N-OD2 3.15Å; T347-D350 PolarHBondContact O-N 2.75Å; T347-D350 VanDerWaalsContact O-N 3.12Å; T347-D350 PolarHBondContact OG1-N 2.82Å; T347-D350 VanDerWaalsContact OG1-N 3.17Å; T347-D350 PolarHBondContact OG1-OD2 2.81Å; T347-V351 WeakPolarHBondContact O-CG2 3.41Å; T347-V351 PolarHBondContact O-N 3.06Å
348K92.2Very high91.6Very high128 Ų12864.5 Ų64.556%0.55735%0.349SS*.Hα-helixtrans-54.6-38.7171.8-174.2177.5179.5-178.80112.3V237 V352V237-K348 HydrophobicContact CG1-CB 4.38Å; V237-K348 HydrophobicContact CG1-CG 4.19Å; K348-V352 WeakPolarHBondContact O-CG2 3.32Å; K348-V352 PolarHBondContact O-N 3.15Å
349S91.9Very high92.1Very high88 Ų8866.8 Ų66.862%0.61536%0.362SS*.Hα-helixtrans-65.7-43176.8-58.30000111.7T347 V352 Q353T347-S349 PolarHBondContact O-N 2.81Å; T347-S349 PolarHBondContact OG1-N 2.87Å; S349-V352 PolarHBondContact O-N 2.85Å; S349-Q353 WeakPolarHBondContact O-CB 3.49Å; S349-Q353 PolarHBondContact O-N 3.23Å
350D92.2Very high92.2Very high58 Ų5865.4 Ų65.431%0.3136%0.355SS..Hα-helixtrans-62.3-44.5177-57.3-49.9000111.2I346 T347 V352 Q353 L354I346-D350 HydrophobicContact CG2-CB 3.76Å; T347-D350 WeakPolarHBondContact CA-OD2 3.49Å; T347-D350 VanDerWaalsContact CB-OD2 3.29Å; T347-D350 WeakPolarHBondContact CB-OD2 3.23Å; T347-D350 WeakPolarHBondContact CG2-OD2 3.45Å; T347-D350 PolarHBondContact N-OD2 3.15Å; T347-D350 PolarHBondContact O-N 2.75Å; T347-D350 VanDerWaalsContact O-N 3.12Å; T347-D350 PolarHBondContact OG1-N 2.82Å; T347-D350 VanDerWaalsContact OG1-N 3.17Å; T347-D350 PolarHBondContact OG1-OD2 2.81Å; D350-V352 VanDerWaalsContact C-N 3.31Å; D350-V352 PolarHBondContact O-N 2.83Å; D350-Q353 PolarHBondContact O-N 2.73Å; D350-L354 HydrophobicContact CB-CD1 4.45Å; D350-L354 WeakPolarHBondContact O-CB 3.48Å; D350-L354 WeakPolarHBondContact O-CD1 3.43Å; D350-L354 WeakPolarHBondContact O-CG 3.35Å; D350-L354 PolarHBondContact O-N 3.07Å
351V92.3Very high92.3Very high6 Ų669.4 Ų69.44%0.03638%0.376CS..Hα-helixtrans-58-44176.71750000111V237 A248 L259 I346 T347 L355V237-V351 HydrophobicContact CG1-CB 4.41Å; V237-V351 HydrophobicContact CG1-CG1 4.46Å; V237-V351 HydrophobicContact CG1-CG2 4.28Å; V237-V351 HydrophobicContact CG2-CG2 4.05Å; A248-V351 HydrophobicContact CB-CB 4.5Å; A248-V351 HydrophobicContact CB-CG1 4.23Å; A248-V351 HydrophobicContact CB-CG2 4.22Å; L259-V351 HydrophobicContact CD2-CG2 4.02Å; I346-V351 HydrophobicContact CG2-CG2 3.75Å; T347-V351 WeakPolarHBondContact O-CG2 3.41Å; T347-V351 PolarHBondContact O-N 3.06Å; V351-L355 HydrophobicContact CG1-CD1 3.73Å; V351-L355 WeakPolarHBondContact O-CB 3.31Å; V351-L355 WeakPolarHBondContact O-CD1 3.38Å; V351-L355 WeakPolarHBondContact O-CG 3.35Å; V351-L355 PolarHBondContact O-N 2.99Å
352V91.4Very high92.1Very high80 Ų8070.7 Ų70.749%0.48538%0.381SS..Hα-helixtrans-66.4-41.8177.1173.70000111.5K348 S349 D350 L354 L355 Q356K348-V352 WeakPolarHBondContact O-CG2 3.32Å; K348-V352 PolarHBondContact O-N 3.15Å; S349-V352 PolarHBondContact O-N 2.85Å; D350-V352 VanDerWaalsContact C-N 3.31Å; D350-V352 PolarHBondContact O-N 2.83Å; V352-L354 PolarHBondContact O-N 2.88Å; V352-L355 PolarHBondContact O-N 3.11Å; V352-Q356 WeakPolarHBondContact O-CG 3.47Å
353Q93Very high91.9Very high142 Ų14275.4 Ų75.466%0.66441%0.407SS*.Hα-helixtrans-68.4-32.5-179.7-175176.11.800113.1S349 D350S349-Q353 WeakPolarHBondContact O-CB 3.49Å; S349-Q353 PolarHBondContact O-N 3.23Å; D350-Q353 PolarHBondContact O-N 2.73Å
354L91.7Very high91.8Very high53 Ų5375 Ų7528%0.27740%0.4SS..Hα-helixtrans-78.2-18.8179.2-70163.3000113.3A248 L251 V252 D350 V352A248-L354 HydrophobicContact CB-CB 4.49Å; A248-L354 HydrophobicContact CB-CD1 4.25Å; L251-L354 HydrophobicContact CB-CD2 4.19Å; L251-L354 HydrophobicContact CD1-CB 4.13Å; L251-L354 WeakPolarHBondContact CD1-O 3.47Å; V252-L354 HydrophobicContact CG2-CD1 3.46Å; V252-L354 VanDerWaalsContact CG2-CD1 3.46Å; V252-L354 HydrophobicContact CG2-CD2 4.44Å; D350-L354 HydrophobicContact CB-CD1 4.45Å; D350-L354 WeakPolarHBondContact O-CB 3.48Å; D350-L354 WeakPolarHBondContact O-CD1 3.43Å; D350-L354 WeakPolarHBondContact O-CG 3.35Å; D350-L354 PolarHBondContact O-N 3.07Å; V352-L354 PolarHBondContact O-N 2.88Å
355L89.2Confident91.6Very high66 Ų6677.7 Ų77.735%0.34641%0.409SS..THydrogen-bonded Turntrans-104.49.1-176.2-63.4173.9000113.4D244 H247 V351 V352D244-L355 HydrophobicContact CB-CD1 3.77Å; H247-L355 HydrophobicContact CB-CD2 4.14Å; H247-L355 WeakPolarHBondContact ND1-CD2 3.4Å; V351-L355 HydrophobicContact CG1-CD1 3.73Å; V351-L355 WeakPolarHBondContact O-CB 3.31Å; V351-L355 WeakPolarHBondContact O-CD1 3.38Å; V351-L355 WeakPolarHBondContact O-CG 3.35Å; V351-L355 PolarHBondContact O-N 2.99Å; V352-L355 PolarHBondContact O-N 3.11Å
356Q81.8Confident91.3Very high212 Ų21279.2 Ų79.299%0.99141%0.41SS*.  trans-92.20168.9-74.11779.400111.2V352V352-Q356 WeakPolarHBondContact O-CG 3.47Å

Retrieved 356 of 356 residues in 655.5 ms (Link to these results)