A0A087XQ97_POEFO Loading...

Forkhead box K1

AlphaFold DB , UniProt , Accession A0A087XQ97, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 547 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.7Very low37.6Very low241 Ų241145.7 Ų145.7100%1.18776%0.764SS**  0101.70-174.6173.2-173.100105.6
2A34.3Very low37Very low92 Ų92141.7 Ų141.776%0.7677%0.767SS**  trans60.6126-160.700000113.7
3D38.4Very low36.9Very low141 Ų141143.4 Ų143.475%0.75477%0.774SS**  cis91.8125.413.1-72.3-65.5000119.4
4Y38.3Very low36.9Very low184 Ų184145.4 Ų145.472%0.72278%0.783SS**  trans66149.8157.5-78.6-135.9000117.3
5R42.3Very low36.6Very low166 Ų166141.1 Ų141.163%0.62678%0.776SS**  cis-170.1170.9-16.5-101.6-168.8179.6-89.4-1.4105.8
6D44.2Very low36.3Very low115 Ų115142.4 Ų142.462%0.61578%0.78SS**  cis-167.2-172.6-4.5-110.22.5000106.2
7D45.2Very low36.1Very low121 Ų121144 Ų14465%0.64778%0.781SS**  -165.5154.3-61-178.733.5000109.3
8N39.3Very low36Very low136 Ų136142.1 Ų142.173%0.72778%0.78SS**  trans73.9157.8151.5-113.5-57000125.7
9G30Very low35.8Very low68 Ų68139.9 Ų139.970%0.70178%0.783SS**  trans87.694.2164.100000117.1
10A32.9Very low35.9Very low85 Ų85139.2 Ų139.270%0.70278%0.784SS**  cis88.1117.513.600000118.1
11R34.6Very low35.9Very low254 Ų254139 Ų13996%0.95879%0.79SS**  trans73.4158.4170.6-59.6-174.5174.6178.5-0.4116
12A30.4Very low35.8Very low97 Ų97132.8 Ų132.880%0.80277%0.771SS**  cis-141.4165.213.100000115.1
13L35.2Very low36.2Very low164 Ų164133.7 Ų133.786%0.85977%0.769SS**  trans-99.2148.2159.8-72.2166.4000109.3
14L36.6Very low35.9Very low171 Ų171133.8 Ų133.890%0.89577%0.774SS**  179.4143.1125-99.3166.2000115.1
15A32.2Very low35.7Very low82 Ų82136.1 Ų136.168%0.67878%0.782SS**  trans30128.9148.500000123.6
16L32.4Very low35.2Very low162 Ų162134.7 Ų134.785%0.84879%0.791SS**  173.1103.8123.1-91.4169.5000107
17Q32.3Very low34.5Very low169 Ų169133.6 Ų133.679%0.7980%0.798SS**  62.797.872.3-166.4164.6-1.500115.1
18S35.1Very low33.9Very low110 Ų110134.3 Ų134.377%0.76981%0.806SS**  trans46.6116.3155.661.90000120.7
19A31.7Very low33.4Very low101 Ų101134.3 Ų134.384%0.83581%0.811SS**  trans-129.2123.3155.200000110.1
20P38Very low33.6Very low125 Ų125135.7 Ų135.781%0.81281%0.81SS**  trans-88.6150.6-179.534.2-34.2000113S22P20-S22 PolarHBondContact O-N 2.88Å
21C35.1Very low33.4Very low134 Ų134140.7 Ų140.791%0.90582%0.819SS**  trans-72.1115.5172.3-55.50000110.9
22S32.7Very low33Very low112 Ų112133.3 Ų133.378%0.78381%0.806SS**  trans-86137.9-179.8-166.80000112.5P20P20-S22 PolarHBondContact O-N 2.88Å
23P43Very low32.9Very low110 Ų110139 Ų13971%0.71481%0.808SS**  trans-86.5135.7178.433.5-33.3000112.6R25P23-R25 PolarHBondContact O-N 3.07Å; P23-R25 VanDerWaalsContact O-N 3.14Å
24V33Very low32.5Very low143 Ų143139.8 Ų139.887%0.86781%0.807SS**  trans-74.3104.1170.1-179.50000109.6
25R33.7Very low32.3Very low234 Ų234138.9 Ų138.988%0.88380%0.798SS**  trans-94.5128.7159.6-90.4-172.2167.6-170.7-3.5109.3P23P23-R25 PolarHBondContact O-N 3.07Å; P23-R25 VanDerWaalsContact O-N 3.14Å
26V32.1Very low32.6Very low136 Ų136140.7 Ų140.782%0.82480%0.803SS**  trans-80131.7160.3179.40000107.6
27A29.7Very low32.6Very low92 Ų92137.3 Ų137.376%0.7679%0.793SS**  trans-129.1136.8170.600000108.7
28V32.6Very low32.6Very low135 Ų135137.5 Ų137.582%0.81880%0.799SS**  trans-101.8123.2177.7174.70000108.7
29T28.6Very low32.5Very low136 Ų136137.3 Ų137.383%0.83480%0.798SS**  trans-152.8140.2149.721.80000110.3
30S32.7Very low32.5Very low97 Ų97139.6 Ų139.668%0.67880%0.801SS**  trans-62154.3168.149.70000112.8
31H28.9Very low32.3Very low191 Ų191142.1 Ų142.188%0.88481%0.807SS**  trans-155.4154.8133.7-108.4-70.9000112.4
32S27.1Very low32.1Very low98 Ų98139.2 Ų139.269%0.68580%0.799SS**  trans-103.7161.7-171.4-33.10000112.3
33Y28.3Very low32.7Very low217 Ų217140 Ų14085%0.85180%0.801SS**  trans24.2114.2159.1-70.9-88.9000119.2
34H27.1Very low32.8Very low180 Ų180140.5 Ų140.583%0.83381%0.805SS**  -167.9152.596.4-118-86.4000114.5
35Q32.8Very low32.9Very low152 Ų152141.9 Ų141.971%0.7181%0.806SS**  trans-78.7151.4159.2-98.8-84.2-32.800109.4
36P38.5Very low32.9Very low120 Ų120138.2 Ų138.278%0.77980%0.8SS**  -140.3162.296.439.1-26.9000116.4
37S32.6Very low32.9Very low92 Ų92137.7 Ų137.764%0.64379%0.789SS**  trans-63.9156.5172.954.30000115.1
38L30.5Very low33Very low172 Ų172138.1 Ų138.190%0.90179%0.793SS**  -160.3155123.6-108.8168.4000111.3
39S33.8Very low33Very low107 Ų107141.5 Ų141.575%0.74879%0.791SS**  trans-131.8136.4-171.254.40000111.6
40V32.6Very low33.2Very low148 Ų148140.9 Ų140.990%0.89779%0.79SS**  trans-136.3148.4173.9-178.30000109.6
41L33Very low33.1Very low179 Ų179143.7 Ų143.794%0.93780%0.798SS**  trans-101.5151.4-167.5-68.4153.6000113.1
42G31.7Very low33.4Very low72 Ų72138.8 Ų138.874%0.74279%0.79SS**  trans-164.4144.2167.100000110.6
43P44.5Very low34.1Very low129 Ų129138.2 Ų138.284%0.83880%0.8SS**  trans-116.8-175.5-141.839.1-23.6000114.6
44P44.5Very low34.3Very low121 Ų121131.2 Ų131.279%0.78679%0.793SS**  trans-115.6168.4-143.142-35000116.6
45I36.7Very low34.8Very low172 Ų172132.5 Ų132.588%0.88280%0.797SS**  trans-136.1132.4170.6-66.8-176.7000111
46M33.4Very low35.2Very low157 Ų157131.1 Ų131.177%0.77380%0.801SS**  trans-80.6170.4172.6-68.4167.860.900111.8
47E31.4Very low35.3Very low124 Ų124129.4 Ų129.458%0.57980%0.797SS**  cis-155.6150-20.1-124.8-167.8131.100105.4R49E47-R49 IonicContact OE1-CZ 3.9Å; E47-R49 IonicContact OE1-NE 3.18Å; E47-R49 PolarHBondContact OE1-NE 2.88Å; E47-R49 VanDerWaalsContact OE1-NE 3.16Å; E47-R49 IonicContact OE1-NH2 3.66Å; E47-R49 PolarHBondContact OE1-NH2 3.24Å
48A32.6Very low35.5Very low102 Ų102136.2 Ų136.284%0.84381%0.809SS**  trans-156.6112.8160.100000110.9
49R32.6Very low36.1Very low206 Ų206136 Ų13678%0.77781%0.808SS**  trans-91.5148.3161-50.1176.2-165.8-179.23105.9E47E47-R49 IonicContact OE1-CZ 3.9Å; E47-R49 IonicContact OE1-NE 3.18Å; E47-R49 PolarHBondContact OE1-NE 2.88Å; E47-R49 VanDerWaalsContact OE1-NE 3.16Å; E47-R49 IonicContact OE1-NH2 3.66Å; E47-R49 PolarHBondContact OE1-NH2 3.24Å
50C31.7Very low36.4Very low123 Ų123136 Ų13683%0.83181%0.807SS**  cis-149.8169.435.7-76.50000109.5
51D30.9Very low37Very low156 Ų156134.3 Ų134.383%0.83480%0.802SS**  cis-175.6-151.4-18.6-179.623000106
52A34.9Very low38.2Very low87 Ų87131.6 Ų131.672%0.71979%0.793SS**  trans7070.7165.600000116.9
53G41.5Very low39.5Very low86 Ų86133 Ų13389%0.88779%0.79SS**  trans51.590.2131.300000119.2
54G33.8Very low40.9Very low70 Ų70131 Ų13172%0.72278%0.776SS**  trans-161.2106.2164.500000112.4P56G54-P56 WeakPolarHBondContact O-CD 3.43Å
55F37.3Very low42.8Very low208 Ų208131.7 Ų131.791%0.91277%0.769SS**  trans-67122.9168.6-69.8-86.2000109.2A57F55-A57 PolarHBondContact O-N 3.36Å
56P40.2Very low45.5Very low123 Ų123124.7 Ų124.780%0.79974%0.737SS**  trans-73.183.716930.7-33.1000108.5G54 R58G54-P56 WeakPolarHBondContact O-CD 3.43Å; P56-R58 PolarHBondContact O-N 3.02Å; P56-R58 VanDerWaalsContact O-N 3.11Å
57A41.1Very low48.4Very low83 Ų83118 Ų11869%0.68671%0.705SS**  trans-54.3119172.800000108.6F55 L59F55-A57 PolarHBondContact O-N 3.36Å; A57-L59 PolarHBondContact O-N 2.72Å
58R37.7Very low51.5Low236 Ų236112.1 Ų112.189%0.89168%0.677SS**  trans-59.7111.8174.7-73.2-174.6176.1-162.7-0.4107.7P56 S60P56-R58 PolarHBondContact O-N 3.02Å; P56-R58 VanDerWaalsContact O-N 3.11Å; R58-S60 PolarHBondContact O-N 3.4Å
59L41.5Very low54.6Low167 Ų167111.4 Ų111.487%0.87465%0.652SS**  trans-65.284.5168.8-72.6173.4000108.5A57 S61A57-L59 PolarHBondContact O-N 2.72Å; L59-S61 PolarHBondContact O-N 2.89Å
60S41Very low57.7Low106 Ų106101.6 Ų101.674%0.74162%0.615SS**  trans-69.484.816545.20000107.4R58 T62R58-S60 PolarHBondContact O-N 3.4Å; S60-T62 VanDerWaalsContact C-N 3.31Å; S60-T62 PolarHBondContact O-N 3.41Å
61S46.2Very low60.8Low114 Ų114100.2 Ų100.280%0.79760%0.597SS**  trans-6098.8166.640.30000108L59L59-S61 PolarHBondContact O-N 2.89Å
62T56.3Low63.8Low122 Ų12293.2 Ų93.275%0.74856%0.561SS**PPolyproline II helixtrans-55.3131.2172.7400000108.1S60S60-T62 VanDerWaalsContact C-N 3.31Å; S60-T62 PolarHBondContact O-N 3.41Å
63P60.7Low66.4Low102 Ų10299.2 Ų99.266%0.66257%0.565SS**PPolyproline II helixtrans-60.9129.8-17724.2-33.1000108.7Q65P63-Q65 PolarHBondContact O-N 2.85Å
64P72.4Confident68.7Low85 Ų85101.9 Ų101.955%0.55256%0.559SS**PPolyproline II helixtrans-56.5128.6-168.319.3-31.8000110.8R80P64-R80 HydrophobicContact CB-CB 4.49Å; P64-R80 WeakPolarHBondContact O-CD 3.47Å; P64-R80 PolarHBondContact O-NH1 3.34Å
65Q85.3Confident71.5Confident136 Ų136101.8 Ų101.864%0.63654%0.539SS*.PPolyproline II helixtrans-51.7137.4-168.7-170.51766.600111.7P63 L67P63-Q65 PolarHBondContact O-N 2.85Å; Q65-L67 PolarHBondContact O-N 3.38Å
66A92.2Very high74.3Confident26 Ų2697.7 Ų97.722%0.21552%0.523CS..  trans-75.8112.8173.200000108.7V78 L166A66-V78 HydrophobicContact CB-CG1 3.58Å; A66-L166 HydrophobicContact CB-CD1 3.79Å
67L94.6Very high77Confident17 Ų1794.3 Ų94.39%0.08950%0.496CS..  trans-85.7-45.1-177.1-49.9177.8000110.4Q65 M79 Y114 F120 L166 L167Q65-L67 PolarHBondContact O-N 3.38Å; L67-M79 HydrophobicContact CB-CG 4.44Å; L67-M79 WeakPolarHBondContact CB-O 3.27Å; L67-M79 PolarHBondContact N-O 3.37Å; L67-Y114 HydrophobicContact CD1-CD1 4.03Å; L67-Y114 HydrophobicContact CD1-CG 4.35Å; L67-F120 HydrophobicContact CB-CE1 4.21Å; L67-F120 HydrophobicContact CB-CZ 3.85Å; L67-F120 VanDerWaalsContact O-CZ 3.31Å; L67-F120 WeakPolarHBondContact O-CZ 3.5Å; L67-L166 PolarHBondContact O-N 3.07Å; L67-L167 HydrophobicContact CD2-CD2 4Å; L67-L167 PolarHBondContact O-N 2.94Å
68A96.6Very high79.6Confident0 Ų092.9 Ų92.90%048%0.478CS..EExtended strand (participates in β ladder)trans-150.8160.3178.900000112.2V78 M79 F120 F163 T164A68-V78 CarbonylContact O-C 3.53Å; A68-M79 HydrophobicContact CB-CB 4.2Å; A68-M79 HydrophobicContact CB-SD 4.48Å; A68-M79 PolarHBondContact N-O 3Å; A68-M79 WeakPolarHBondContact O-CB 3.43Å; A68-M79 PolarHBondContact O-N 3.05Å; A68-F120 HydrophobicContact CB-CE1 3.79Å; A68-F120 HydrophobicContact CB-CZ 3.87Å; A68-F163 HydrophobicContact CB-CD2 4.23Å; A68-F163 HydrophobicContact CB-CE2 3.45Å; A68-F163 VanDerWaalsContact CB-CE2 3.45Å; A68-F163 HydrophobicContact CB-CZ 3.82Å; A68-T164 CarbonylContact C-O 3.59Å; A68-T164 VanDerWaalsContact CA-O 3.26Å; A68-T164 WeakPolarHBondContact CA-O 3.32Å; A68-T164 WeakPolarHBondContact CB-O 3.42Å
69R97.4Very high82.3Confident87 Ų8781.6 Ų81.633%0.32844%0.436SS..EExtended strand (participates in β ladder)trans-107142.5166.5172.7166.361.5-172.12.9110E76 F163 T164 L166R69-E76 WeakPolarHBondContact CD-OE1 3.42Å; R69-E76 HydrophobicContact CG-CG 4.18Å; R69-E76 IonicContact CZ-OE1 2.61Å; R69-E76 IonicContact NE-OE1 3.14Å; R69-E76 IonicContact NH1-OE1 3.93Å; R69-E76 PolarHBondContact NH1-OE1 3.2Å; R69-E76 VanDerWaalsContact NH1-OE1 3.14Å; R69-F163 WeakPolarHBondContact O-CA 3.37Å; R69-T164 PolarHBondContact N-O 2.87Å; R69-T164 PolarHBondContact O-N 2.99Å; R69-L166 HydrophobicContact CB-CD1 4.1Å; R69-L166 HydrophobicContact CB-CD2 4.38Å; R69-L166 HydrophobicContact CB-CG 4.29Å
70L97.6Very high84.8Confident0 Ų079.5 Ų79.50%042%0.416CS..EExtended strand (participates in β ladder)trans-127.4117171.3-71.196.1000109.4F77 M79 I86 I97 I112 F152 I161 Q162 F163L70-F77 HydrophobicContact CB-CB 4.42Å; L70-F77 HydrophobicContact CD1-CD1 4.28Å; L70-F77 PolarHBondContact N-O 3.24Å; L70-F77 PolarHBondContact O-N 2.83Å; L70-M79 HydrophobicContact CD1-CB 4.06Å; L70-I86 HydrophobicContact CD2-CD1 3.68Å; L70-I97 HydrophobicContact CB-CD1 4.06Å; L70-I97 HydrophobicContact CD2-CD1 3.93Å; L70-I97 HydrophobicContact CG-CD1 4.44Å; L70-I112 HydrophobicContact CD2-CD1 3.58Å; L70-F152 HydrophobicContact CD2-CE2 4.18Å; L70-I161 HydrophobicContact CB-CG2 4.03Å; L70-I161 HydrophobicContact CD2-CG2 4.23Å; L70-Q162 CarbonylContact C-O 3.52Å; L70-Q162 WeakPolarHBondContact CA-O 3.29Å; L70-F163 HydrophobicContact CD1-CD2 4.2Å; L70-F163 HydrophobicContact CD2-CD2 4.4Å; L70-F163 HydrophobicContact CG-CD2 4.07Å
71E97.3Very high87.4Confident94 Ų9480 Ų8044%0.43941%0.407SS..EExtended strand (participates in β ladder)trans-116.4125.3-175.6-168.3-178.2144.100110.1I161 Q162E71-I161 CarbonylContact O-C 3.49Å; E71-I161 VanDerWaalsContact O-CA 3.27Å; E71-I161 WeakPolarHBondContact O-CA 3.45Å; E71-I161 WeakPolarHBondContact O-CG2 3.47Å; E71-Q162 PolarHBondContact N-O 3.22Å; E71-Q162 PolarHBondContact O-N 2.99Å
72G93.7Very high89.6Confident9 Ų981.1 Ų81.19%0.09339%0.393CS..EExtended strand (participates in β ladder)trans-116.7169.3168.800000110.1D74 F75G72-D74 PolarHBondContact O-N 3.22Å; G72-F75 PolarHBondContact N-O 3.08Å; G72-F75 PolarHBondContact O-N 3.11Å
73R89.8Confident91.5Very high212 Ų21277.7 Ų77.780%0.837%0.372SS*.THydrogen-bonded Turntrans-45.8-39.1-177.8174.9-175.7-79.3-167.6-8.5114
74D89.8Confident93.2Very high143 Ų14372.9 Ų72.977%0.76534%0.341SS*.THydrogen-bonded Turntrans-122.414.5-169.8-43.9-82000112.3G72G72-D74 PolarHBondContact O-N 3.22Å
75F92.6Very high94.4Very high68 Ų6870 Ų7030%0.29832%0.322SS..EExtended strand (participates in β ladder)trans-158.5147.5179.570-92.1000114.2G72 F77 I97 M99 I161G72-F75 PolarHBondContact N-O 3.08Å; G72-F75 PolarHBondContact O-N 3.11Å; F75-F77 HydrophobicContact CD2-CB 4.37Å; F75-I97 HydrophobicContact CD2-CG2 4.44Å; F75-I97 HydrophobicContact CE2-CG2 3.72Å; F75-I97 HydrophobicContact CZ-CG2 3.77Å; F75-M99 HydrophobicContact CE1-CE 3.79Å; F75-M99 HydrophobicContact CE1-SD 4.16Å; F75-M99 HydrophobicContact CZ-CE 3.94Å; F75-M99 HydrophobicContact CZ-SD 4.04Å; F75-I161 HydrophobicContact CZ-CD1 4.17Å; F75-I161 HydrophobicContact CZ-CG1 4.12Å; F75-I161 HydrophobicContact CZ-CG2 4.46Å
76E95.9Very high94.9Very high121 Ų12163.5 Ų63.557%0.56529%0.292SS*.EExtended strand (participates in β ladder)trans-113.8138.6161.8-173.5-178.3-160.500108.7R69R69-E76 WeakPolarHBondContact CD-OE1 3.42Å; R69-E76 HydrophobicContact CG-CG 4.18Å; R69-E76 IonicContact CZ-OE1 2.61Å; R69-E76 IonicContact NE-OE1 3.14Å; R69-E76 IonicContact NH1-OE1 3.93Å; R69-E76 PolarHBondContact NH1-OE1 3.2Å; R69-E76 VanDerWaalsContact NH1-OE1 3.14Å
77F96.5Very high95.1Very high53 Ų5362.2 Ų62.223%0.23228%0.281CS..EExtended strand (participates in β ladder)trans-135.7128.7177.9179.6-83000110.5L70 F75 M79 V84 D96 I97L70-F77 HydrophobicContact CB-CB 4.42Å; L70-F77 HydrophobicContact CD1-CD1 4.28Å; L70-F77 PolarHBondContact N-O 3.24Å; L70-F77 PolarHBondContact O-N 2.83Å; F75-F77 HydrophobicContact CD2-CB 4.37Å; F77-M79 HydrophobicContact CE1-CB 4.28Å; F77-V84 HydrophobicContact CE1-CG1 3.86Å; F77-V84 HydrophobicContact CE1-CG2 3.93Å; F77-V84 HydrophobicContact CZ-CG1 4.18Å; F77-V84 HydrophobicContact CZ-CG2 4.29Å; F77-D96 HydrophobicContact CZ-CB 4.3Å; F77-I97 HydrophobicContact CB-CD1 3.97Å; F77-I97 HydrophobicContact CB-CG1 4.36Å; F77-I97 HydrophobicContact CD1-CD1 3.6Å; F77-I97 HydrophobicContact CD1-CG1 3.99Å; F77-I97 HydrophobicContact CD2-CD1 4.22Å; F77-I97 HydrophobicContact CD2-CG1 3.8Å; F77-I97 HydrophobicContact CE1-CD1 4.1Å; F77-I97 HydrophobicContact CE1-CG1 4.2Å; F77-I97 HydrophobicContact CE2-CG1 4.01Å; F77-I97 HydrophobicContact CG-CD1 3.66Å; F77-I97 HydrophobicContact CG-CG1 3.79Å; F77-I97 HydrophobicContact CZ-CG1 4.21Å
78V96.6Very high95Very high52 Ų5264.9 Ų64.932%0.31529%0.29SS..EExtended strand (participates in β ladder)trans-104.7112177.8-177.60000110.1A66 A68 R80 L166A66-V78 HydrophobicContact CB-CG1 3.58Å; A68-V78 CarbonylContact O-C 3.53Å; V78-R80 HydrophobicContact CG1-CG 4.19Å; V78-R80 PolarHBondContact O-N 2.88Å; V78-R80 VanDerWaalsContact O-N 3.17Å; V78-L166 HydrophobicContact CG1-CD1 4.22Å
79M95.3Very high94.8Very high0 Ų068.8 Ų68.80%031%0.311CS..EExtended strand (participates in β ladder)trans-70.7103.4175.8174.9165.9179.100110.2L67 A68 L70 F77 Q81 V84 I112 F120L67-M79 HydrophobicContact CB-CG 4.44Å; L67-M79 WeakPolarHBondContact CB-O 3.27Å; L67-M79 PolarHBondContact N-O 3.37Å; A68-M79 HydrophobicContact CB-CB 4.2Å; A68-M79 HydrophobicContact CB-SD 4.48Å; A68-M79 PolarHBondContact N-O 3Å; A68-M79 WeakPolarHBondContact O-CB 3.43Å; A68-M79 PolarHBondContact O-N 3.05Å; L70-M79 HydrophobicContact CD1-CB 4.06Å; F77-M79 HydrophobicContact CE1-CB 4.28Å; M79-Q81 WeakPolarHBondContact CE-O 3.43Å; M79-Q81 WeakPolarHBondContact CG-O 3.39Å; M79-V84 HydrophobicContact CB-CG2 4.06Å; M79-V84 HydrophobicContact CE-CG2 4.14Å; M79-V84 HydrophobicContact CG-CG2 3.54Å; M79-V84 HydrophobicContact SD-CB 4.16Å; M79-V84 HydrophobicContact SD-CG2 3.75Å; M79-I112 HydrophobicContact CE-CG2 4.09Å; M79-I112 HydrophobicContact SD-CG2 3.98Å; M79-F120 HydrophobicContact CE-CE1 4.17Å; M79-F120 HydrophobicContact SD-CE1 4.09Å
80R94.3Very high94.2Very high123 Ų12366.4 Ų66.446%0.46431%0.308SS..  trans-105.60.8172.5-61.7-179.6-177.2-94.82.5113.7P64 V78P64-R80 HydrophobicContact CB-CB 4.49Å; P64-R80 WeakPolarHBondContact O-CD 3.47Å; P64-R80 PolarHBondContact O-NH1 3.34Å; V78-R80 HydrophobicContact CG1-CG 4.19Å; V78-R80 PolarHBondContact O-N 2.88Å; V78-R80 VanDerWaalsContact O-N 3.17Å
81Q94.1Very high93.3Very high117 Ų11769.8 Ų69.855%0.54733%0.331SS..SBendtrans-113.6147179-69.6175.5-34.700109.6M79 T83M79-Q81 WeakPolarHBondContact CE-O 3.43Å; M79-Q81 WeakPolarHBondContact CG-O 3.39Å; Q81-T83 PolarHBondContact O-N 3.44Å
82R93.9Very high91.8Very high136 Ų13672 Ų7251%0.51334%0.341SS..SBendtrans-62.6-11.3178.4-62.8-172.6-169.8-126.7-5114.4T113 Y114 E116R82-T113 CarbonylContact O-C 3.56Å; R82-T113 VanDerWaalsContact O-CA 3.3Å; R82-T113 WeakPolarHBondContact O-CA 3.47Å; R82-Y114 PolarHBondContact O-N 3.02Å; R82-E116 IonicContact CZ-OE1 3.48Å; R82-E116 IonicContact NH1-OE1 3.16Å; R82-E116 PolarHBondContact NH1-OE1 3.28Å; R82-E116 IonicContact NH2-OE1 2.92Å; R82-E116 PolarHBondContact NH2-OE1 2.92Å
83T95.6Very high91.1Very high50 Ų5073.3 Ų73.331%0.30736%0.355SS..EExtended strand (participates in β ladder)trans-144.7136.6175.6-75.60000110.5Q81 Q111 I112 T113Q81-T83 PolarHBondContact O-N 3.44Å; T83-Q111 HydrophobicContact CG2-CG 3.78Å; T83-I112 CarbonylContact C-O 3.47Å; T83-I112 VanDerWaalsContact CA-O 3.24Å; T83-I112 WeakPolarHBondContact CA-O 3.48Å; T83-T113 PolarHBondContact OG1-OG1 3.26Å
84V96.5Very high91Very high1 Ų167.9 Ų67.91%0.00635%0.349CS..EExtended strand (participates in β ladder)trans-134.2132.4179.6169.90000109.5F77 M79 D96 I97 Q111 I112F77-V84 HydrophobicContact CE1-CG1 3.86Å; F77-V84 HydrophobicContact CE1-CG2 3.93Å; F77-V84 HydrophobicContact CZ-CG1 4.18Å; F77-V84 HydrophobicContact CZ-CG2 4.29Å; M79-V84 HydrophobicContact CB-CG2 4.06Å; M79-V84 HydrophobicContact CE-CG2 4.14Å; M79-V84 HydrophobicContact CG-CG2 3.54Å; M79-V84 HydrophobicContact SD-CB 4.16Å; M79-V84 HydrophobicContact SD-CG2 3.75Å; V84-D96 HydrophobicContact CG1-CB 4.14Å; V84-I97 HydrophobicContact CG1-CD1 4.03Å; V84-I97 HydrophobicContact CG1-CG1 4.09Å; V84-Q111 WeakPolarHBondContact O-CA 3.4Å; V84-I112 PolarHBondContact N-O 2.98Å; V84-I112 PolarHBondContact O-N 3.48Å
85T96.8Very high91.1Very high24 Ų2461.8 Ų61.815%0.14732%0.317CS..EExtended strand (participates in β ladder)trans-105.6127.4-179.9-45.50000110.8V95 D96 I97 R108 L110T85-V95 HydrophobicContact CG2-CB 4.41Å; T85-V95 HydrophobicContact CG2-CG1 3.74Å; T85-D96 WeakPolarHBondContact CA-OD2 3.4Å; T85-D96 WeakPolarHBondContact CB-OD2 3.41Å; T85-D96 PolarHBondContact N-OD2 2.87Å; T85-D96 PolarHBondContact O-N 3.32Å; T85-D96 PolarHBondContact OG1-OD2 2.85Å; T85-I97 PolarHBondContact O-N 3.37Å; T85-R108 HydrophobicContact CG2-CB 3.82Å; T85-R108 HydrophobicContact CG2-CG 3.7Å; T85-L110 WeakPolarHBondContact CA-O 3.3Å
86I96.4Very high91.2Very high0 Ų062.1 Ų62.10%032%0.322CS..EExtended strand (participates in β ladder)trans-112.5131.7177.6-44.8-177.2000108.7L70 I97 M99 H109 L110 I112 F154 I161L70-I86 HydrophobicContact CD2-CD1 3.68Å; I86-I97 WeakPolarHBondContact CA-O 3.22Å; I86-I97 HydrophobicContact CB-CB 4.42Å; I86-I97 HydrophobicContact CD1-CD1 4.19Å; I86-I97 HydrophobicContact CG1-CB 4.2Å; I86-I97 HydrophobicContact CG1-CD1 4.13Å; I86-I97 HydrophobicContact CG1-CG1 4.45Å; I86-I97 HydrophobicContact CG2-CB 4.1Å; I86-I97 HydrophobicContact CG2-CG2 4.21Å; I86-M99 HydrophobicContact CG2-CG 3.73Å; I86-M99 HydrophobicContact CG2-SD 3.66Å; I86-H109 WeakPolarHBondContact O-CA 3.44Å; I86-H109 WeakPolarHBondContact O-CB 3.41Å; I86-H109 PolarHBondContact O-N 3.23Å; I86-L110 HydrophobicContact CB-CB 4.12Å; I86-L110 HydrophobicContact CD1-CD1 4.36Å; I86-L110 HydrophobicContact CG1-CB 4.45Å; I86-L110 PolarHBondContact N-O 3.47Å; I86-L110 PolarHBondContact O-N 3.05Å; I86-I112 HydrophobicContact CD1-CD1 3.95Å; I86-F154 HydrophobicContact CG2-CZ 4.07Å; I86-I161 HydrophobicContact CD1-CD1 4.03Å; I86-I161 HydrophobicContact CG2-CD1 3.86Å
87G95.6Very high91.1Very high0 Ų056.7 Ų56.70%030%0.297CS..EExtended strand (participates in β ladder)trans177.5-134.3-176.900000114I97 M99 S106 R107G87-I97 PolarHBondContact N-O 3.48Å; G87-M99 WeakPolarHBondContact O-CB 3.33Å; G87-M99 WeakPolarHBondContact O-CG 3.27Å; G87-M99 PolarHBondContact O-N 3Å; G87-S106 CarbonylContact C-O 3.5Å; G87-S106 VanDerWaalsContact CA-O 3.28Å; G87-S106 WeakPolarHBondContact CA-O 3.39Å; G87-R107 WeakPolarHBondContact CA-O 3.43Å
88R93.6Very high91Very high73 Ų7357.4 Ų57.428%0.27530%0.303SS..  trans-142.4138.8172.457.3168165.6148.3-2.8112N98 G100 S102 I105 S106 R107R88-N98 WeakPolarHBondContact CA-OD1 3.35Å; R88-G100 WeakPolarHBondContact CB-O 3.11Å; R88-S102 WeakPolarHBondContact CD-O 3.14Å; R88-S102 PolarHBondContact NE-O 3.44Å; R88-I105 PolarHBondContact NE-O 3.15Å; R88-I105 PolarHBondContact NH2-O 3.5Å; R88-S106 PolarHBondContact N-O 3.25Å; R88-R107 PolarHBondContact N-O 2.83Å; R88-R107 CarbonylContact O-C 3.58Å; R88-R107 VanDerWaalsContact O-CA 3.3Å; R88-R107 WeakPolarHBondContact O-CA 3.12Å; R88-R107 VanDerWaalsContact O-O 3.09Å
89N91.3Very high90.8Very high81 Ų8155.8 Ų55.843%0.43329%0.293SS..  trans-57.3150.8-179.3-72-12.6000112.8S94 V95 N98N89-S94 VanDerWaalsContact OD1-CA 3.29Å; N89-S94 WeakPolarHBondContact OD1-CA 3.01Å; N89-V95 PolarHBondContact OD1-N 3.4Å; N89-N98 PolarHBondContact N-OD1 3.1Å
90S85.3Confident90.3Very high38 Ų3857.1 Ų57.127%0.26631%0.306SS..BIsolated β-bridgetrans-148.5166.1-17477.50000113.5H92 G93 R107S90-H92 PolarHBondContact O-N 2.86Å; S90-H92 VanDerWaalsContact O-N 3.08Å; S90-H92 PolarHBondContact OG-N 2.91Å; S90-G93 PolarHBondContact N-O 2.94Å; S90-G93 PolarHBondContact O-N 3.03Å; S90-G93 PolarHBondContact OG-N 3Å; S90-G93 PolarHBondContact OG-O 3.14Å; S90-R107 VanDerWaalsContact CB-CD 3.44Å
91S78.1Confident89.9Confident70 Ų7059.8 Ų59.849%0.4932%0.324SS..THydrogen-bonded Turntrans-59.3-13.8172.936.10000114.9D332S91-D332 PolarHBondContact OG-OD2 3.2Å; S91-D332 VanDerWaalsContact OG-OD2 3.09Å
92H67.3Low89.6Confident141 Ų14155.8 Ų55.865%0.65331%0.309SS*.THydrogen-bonded Turntrans-119.820.3-178.7-50.1-94.3000112.4S90 R107S90-H92 PolarHBondContact O-N 2.86Å; S90-H92 VanDerWaalsContact O-N 3.08Å; S90-H92 PolarHBondContact OG-N 2.91Å; H92-R107 PolarHBondContact CD2-NH1 2.98Å
93G77.3Confident89.4Confident37 Ų3752.8 Ų52.838%0.38131%0.308SS..BIsolated β-bridgetrans143.4149.3177.500000113.8S90S90-G93 PolarHBondContact N-O 2.94Å; S90-G93 PolarHBondContact O-N 3.03Å; S90-G93 PolarHBondContact OG-N 3Å; S90-G93 PolarHBondContact OG-O 3.14Å
94S87.8Confident89.3Confident97 Ų9754.7 Ų54.768%0.67831%0.313SS*.  trans-78.8176166.345.20000112N89N89-S94 VanDerWaalsContact OD1-CA 3.29Å; N89-S94 WeakPolarHBondContact OD1-CA 3.01Å
95V93.4Very high89.2Confident15 Ų1554.7 Ų54.79%0.09131%0.312CS..  trans-130158164.3-73.60000109.8T85 N89 I97 N98 R107 R108T85-V95 HydrophobicContact CG2-CB 4.41Å; T85-V95 HydrophobicContact CG2-CG1 3.74Å; N89-V95 PolarHBondContact OD1-N 3.4Å; V95-I97 WeakPolarHBondContact CG2-O 2.99Å; V95-N98 HydrophobicContact CG2-CB 4.05Å; V95-R107 WeakPolarHBondContact CG1-O 3.27Å; V95-R108 HydrophobicContact CG1-CG 4.05Å
96D94.2Very high89.1Confident75 Ų7554.4 Ų54.440%0.40131%0.311SS..SBendtrans-68.6-38.8-176.8-43.3-66.8000111.3F77 V84 T85F77-D96 HydrophobicContact CZ-CB 4.3Å; V84-D96 HydrophobicContact CG1-CB 4.14Å; T85-D96 WeakPolarHBondContact CA-OD2 3.4Å; T85-D96 WeakPolarHBondContact CB-OD2 3.41Å; T85-D96 PolarHBondContact N-OD2 2.87Å; T85-D96 PolarHBondContact O-N 3.32Å; T85-D96 PolarHBondContact OG1-OD2 2.85Å
97I94.4Very high89Confident8 Ų860 Ų604%0.04133%0.332CS..EExtended strand (participates in β ladder)trans-118.6109.3170.3-50.5-177.2000109.7L70 F75 F77 V84 T85 I86 G87 V95 M99L70-I97 HydrophobicContact CB-CD1 4.06Å; L70-I97 HydrophobicContact CD2-CD1 3.93Å; L70-I97 HydrophobicContact CG-CD1 4.44Å; F75-I97 HydrophobicContact CD2-CG2 4.44Å; F75-I97 HydrophobicContact CE2-CG2 3.72Å; F75-I97 HydrophobicContact CZ-CG2 3.77Å; F77-I97 HydrophobicContact CB-CD1 3.97Å; F77-I97 HydrophobicContact CB-CG1 4.36Å; F77-I97 HydrophobicContact CD1-CD1 3.6Å; F77-I97 HydrophobicContact CD1-CG1 3.99Å; F77-I97 HydrophobicContact CD2-CD1 4.22Å; F77-I97 HydrophobicContact CD2-CG1 3.8Å; F77-I97 HydrophobicContact CE1-CD1 4.1Å; F77-I97 HydrophobicContact CE1-CG1 4.2Å; F77-I97 HydrophobicContact CE2-CG1 4.01Å; F77-I97 HydrophobicContact CG-CD1 3.66Å; F77-I97 HydrophobicContact CG-CG1 3.79Å; F77-I97 HydrophobicContact CZ-CG1 4.21Å; V84-I97 HydrophobicContact CG1-CD1 4.03Å; V84-I97 HydrophobicContact CG1-CG1 4.09Å; T85-I97 PolarHBondContact O-N 3.37Å; I86-I97 WeakPolarHBondContact CA-O 3.22Å; I86-I97 HydrophobicContact CB-CB 4.42Å; I86-I97 HydrophobicContact CD1-CD1 4.19Å; I86-I97 HydrophobicContact CG1-CB 4.2Å; I86-I97 HydrophobicContact CG1-CD1 4.13Å; I86-I97 HydrophobicContact CG1-CG1 4.45Å; I86-I97 HydrophobicContact CG2-CB 4.1Å; I86-I97 HydrophobicContact CG2-CG2 4.21Å; G87-I97 PolarHBondContact N-O 3.48Å; V95-I97 WeakPolarHBondContact CG2-O 2.99Å; I97-M99 HydrophobicContact CG2-SD 3.67Å
98N93.6Very high88.9Confident68 Ų6868.1 Ų68.136%0.36436%0.363SS..EExtended strand (participates in β ladder)trans-98.5103-175173.460.2000112.3R88 N89 V95 G100R88-N98 WeakPolarHBondContact CA-OD1 3.35Å; N89-N98 PolarHBondContact N-OD1 3.1Å; V95-N98 HydrophobicContact CG2-CB 4.05Å; N98-G100 PolarHBondContact O-N 2.83Å
99M91.6Very high89.1Confident18 Ų1864.7 Ų64.79%0.08935%0.35CS..  trans-78.838.8-178.2-45.6-54.3-66.300113.4F75 I86 G87 I97 I105 F154 I159 I161F75-M99 HydrophobicContact CE1-CE 3.79Å; F75-M99 HydrophobicContact CE1-SD 4.16Å; F75-M99 HydrophobicContact CZ-CE 3.94Å; F75-M99 HydrophobicContact CZ-SD 4.04Å; I86-M99 HydrophobicContact CG2-CG 3.73Å; I86-M99 HydrophobicContact CG2-SD 3.66Å; G87-M99 WeakPolarHBondContact O-CB 3.33Å; G87-M99 WeakPolarHBondContact O-CG 3.27Å; G87-M99 PolarHBondContact O-N 3Å; I97-M99 HydrophobicContact CG2-SD 3.67Å; M99-I105 HydrophobicContact CB-CD1 3.47Å; M99-I105 VanDerWaalsContact CB-CD1 3.47Å; M99-I105 HydrophobicContact CB-CG2 4.22Å; M99-I105 HydrophobicContact CG-CD1 4Å; M99-I105 HydrophobicContact CG-CG2 4.39Å; M99-F154 HydrophobicContact CE-CE2 4.13Å; M99-F154 HydrophobicContact CG-CE2 4.48Å; M99-F154 HydrophobicContact CG-CZ 4.46Å; M99-I159 HydrophobicContact CE-CG2 3.37Å; M99-I161 HydrophobicContact CE-CD1 3.66Å; M99-I161 HydrophobicContact CE-CG1 3.87Å; M99-I161 HydrophobicContact SD-CD1 3.89Å
100G86.6Confident89.3Confident28 Ų2860.8 Ų60.829%0.28933%0.33SS..THydrogen-bonded Turntrans63.4-151.8-179.500000114.5R88 N98R88-G100 WeakPolarHBondContact CB-O 3.11Å; N98-G100 PolarHBondContact O-N 2.83Å
101H85.1Confident89.9Confident179 Ų17961.7 Ų61.783%0.82933%0.329SS*.THydrogen-bonded Turntrans-95.84.8-169.7-58.4-50.4000115.2S103H101-S103 PolarHBondContact O-N 3.22Å
102S88.6Confident90.8Very high33 Ų3358.3 Ų58.323%0.23131%0.306CS..  trans-54.4128.5-172.6-1790000113.4R88 F104 I105R88-S102 WeakPolarHBondContact CD-O 3.14Å; R88-S102 PolarHBondContact NE-O 3.44Å; S102-F104 VanDerWaalsContact C-N 3.26Å; S102-F104 PolarHBondContact O-N 2.61Å; S102-F104 PolarHBondContact OG-N 3.44Å; S102-I105 PolarHBondContact O-N 3.3Å
103S89.4Confident92.3Very high72 Ų7253.6 Ų53.650%0.50329%0.287SS..THydrogen-bonded Turntrans-71.8-19.7176.759.20000113.4H101 I105H101-S103 PolarHBondContact O-N 3.22Å; S103-I105 VanDerWaalsContact C-N 3.3Å
104F92.4Very high93.1Very high91 Ų9153.8 Ų53.840%0.39928%0.277SS..THydrogen-bonded Turntrans-76.1-18174.7-61.5-78.4000112.7S102 N128 T157S102-F104 VanDerWaalsContact C-N 3.26Å; S102-F104 PolarHBondContact O-N 2.61Å; S102-F104 PolarHBondContact OG-N 3.44Å; F104-N128 WeakPolarHBondContact CA-ND2 3.46Å; F104-N128 PolarHBondContact O-ND2 3.34Å; F104-T157 HydrophobicContact CB-CG2 3.77Å; F104-T157 HydrophobicContact CD2-CG2 4.44Å; F104-T157 HydrophobicContact CG-CG2 4.34Å
105I94.6Very high93.4Very high0 Ų053 Ų530%027%0.265CS..SBendtrans-97.1140.1173.7-61.5-177.6000109.3R88 M99 S102 S103 H109 F154 I159R88-I105 PolarHBondContact NE-O 3.15Å; R88-I105 PolarHBondContact NH2-O 3.5Å; M99-I105 HydrophobicContact CB-CD1 3.47Å; M99-I105 VanDerWaalsContact CB-CD1 3.47Å; M99-I105 HydrophobicContact CB-CG2 4.22Å; M99-I105 HydrophobicContact CG-CD1 4Å; M99-I105 HydrophobicContact CG-CG2 4.39Å; S102-I105 PolarHBondContact O-N 3.3Å; S103-I105 VanDerWaalsContact C-N 3.3Å; I105-H109 WeakPolarHBondContact CA-ND1 3.23Å; I105-H109 HydrophobicContact CG2-CB 3.99Å; I105-F154 HydrophobicContact CD1-CB 4.34Å; I105-F154 HydrophobicContact CD1-CD1 4.12Å; I105-F154 HydrophobicContact CD1-CD2 4.02Å; I105-F154 HydrophobicContact CD1-CE1 4.43Å; I105-F154 HydrophobicContact CD1-CE2 4.35Å; I105-F154 HydrophobicContact CD1-CG 3.89Å; I105-F154 HydrophobicContact CG1-CB 4.36Å; I105-F154 HydrophobicContact CG1-CD1 4Å; I105-F154 HydrophobicContact CG1-CE1 4.5Å; I105-F154 HydrophobicContact CG1-CG 4.11Å; I105-I159 HydrophobicContact CD1-CD1 3.73Å
106S94.9Very high93.2Very high18 Ų1858.4 Ų58.413%0.12629%0.289CS..  trans-88154.7179.9-61.80000110.8G87 R88 R108 H109 G126 K127G87-S106 CarbonylContact C-O 3.5Å; G87-S106 VanDerWaalsContact CA-O 3.28Å; G87-S106 WeakPolarHBondContact CA-O 3.39Å; R88-S106 PolarHBondContact N-O 3.25Å; S106-R108 VanDerWaalsContact C-N 3.35Å; S106-R108 WeakPolarHBondContact CB-O 3.24Å; S106-R108 CarbonylContact O-C 3.56Å; S106-R108 PolarHBondContact O-N 2.84Å; S106-H109 PolarHBondContact N-ND1 2.94Å; S106-H109 VanDerWaalsContact N-ND1 3.12Å; S106-G126 VanDerWaalsContact CB-CA 3.45Å; S106-G126 WeakPolarHBondContact OG-CA 3.4Å; S106-K127 PolarHBondContact OG-N 3.35Å; S106-K127 VanDerWaalsContact OG-N 3.08Å
107R93.8Very high92.8Very high117 Ų11759.6 Ų59.644%0.44231%0.31SS..SBendtrans-52.1-52.3-176.4-71.8176.6171.8-177.1-5.3111.8G87 R88 S90 H92 V95G87-R107 WeakPolarHBondContact CA-O 3.43Å; R88-R107 PolarHBondContact N-O 2.83Å; R88-R107 CarbonylContact O-C 3.58Å; R88-R107 VanDerWaalsContact O-CA 3.3Å; R88-R107 WeakPolarHBondContact O-CA 3.12Å; R88-R107 VanDerWaalsContact O-O 3.09Å; S90-R107 VanDerWaalsContact CB-CD 3.44Å; H92-R107 PolarHBondContact CD2-NH1 2.98Å; V95-R107 WeakPolarHBondContact CG1-O 3.27Å
108R94.8Very high92.3Very high172 Ų17261.7 Ų61.765%0.64933%0.333SS*.EExtended strand (participates in β ladder)trans-107.4119.7153.8-58.2-169.6-75.1-1480.9106.2T85 V95 S106 L125T85-R108 HydrophobicContact CG2-CB 3.82Å; T85-R108 HydrophobicContact CG2-CG 3.7Å; V95-R108 HydrophobicContact CG1-CG 4.05Å; S106-R108 VanDerWaalsContact C-N 3.35Å; S106-R108 WeakPolarHBondContact CB-O 3.24Å; S106-R108 CarbonylContact O-C 3.56Å; S106-R108 PolarHBondContact O-N 2.84Å; R108-L125 HydrophobicContact CB-CD1 4.18Å
109H96.3Very high92.3Very high0 Ų059.8 Ų59.80%033%0.33CS..EExtended strand (participates in β ladder)trans-106.7-51.1-178.2-158.4140.7000110.8I86 I105 S106 L125 G126 G129 F154I86-H109 WeakPolarHBondContact O-CA 3.44Å; I86-H109 WeakPolarHBondContact O-CB 3.41Å; I86-H109 PolarHBondContact O-N 3.23Å; I105-H109 WeakPolarHBondContact CA-ND1 3.23Å; I105-H109 HydrophobicContact CG2-CB 3.99Å; S106-H109 PolarHBondContact N-ND1 2.94Å; S106-H109 VanDerWaalsContact N-ND1 3.12Å; H109-L125 CarbonylContact O-C 3.59Å; H109-L125 WeakPolarHBondContact O-CA 3.34Å; H109-L125 PolarHBondContact O-N 3.17Å; H109-G126 PolarHBondContact O-N 3.16Å; H109-G129 PolarHBondContact NE2-O 2.96Å; H109-F154 HydrophobicContact CB-CE1 4.14Å; H109-F154 AromaticContact CE1-CD1 3.67Å; H109-F154 AromaticContact CG-CE1 3.69Å; H109-F154 AromaticContact ND1-CD1 3.66Å; H109-F154 AromaticContact ND1-CE1 3.67Å
110L97.2Very high92.5Very high0 Ų059.6 Ų59.60%033%0.328CS..EExtended strand (participates in β ladder)trans-122.5150.6177.5-51.3173.3000109.1T85 I86 L122 C124 V130 F154T85-L110 WeakPolarHBondContact CA-O 3.3Å; I86-L110 HydrophobicContact CB-CB 4.12Å; I86-L110 HydrophobicContact CD1-CD1 4.36Å; I86-L110 HydrophobicContact CG1-CB 4.45Å; I86-L110 PolarHBondContact N-O 3.47Å; I86-L110 PolarHBondContact O-N 3.05Å; L110-L122 HydrophobicContact CB-CD1 3.97Å; L110-L122 HydrophobicContact CD1-CD1 4.27Å; L110-L122 HydrophobicContact CD2-CD1 4.34Å; L110-L122 HydrophobicContact CG-CD1 4.41Å; L110-C124 HydrophobicContact CD2-CB 4.49Å; L110-V130 HydrophobicContact CD1-CG2 4.13Å; L110-V130 HydrophobicContact CD2-CB 3.86Å; L110-V130 HydrophobicContact CD2-CG1 3.65Å; L110-V130 HydrophobicContact CD2-CG2 4.23Å; L110-F154 HydrophobicContact CD1-CE1 3.88Å; L110-F154 HydrophobicContact CD1-CZ 3.68Å; L110-F154 HydrophobicContact CG-CE1 4.11Å; L110-F154 HydrophobicContact CG-CZ 4.3Å
111Q97.3Very high93Very high56 Ų5659.8 Ų59.826%0.26233%0.325SS..EExtended strand (participates in β ladder)trans-128.8122.2165.5179.3-177.6-1100106.4T83 V84 R123 L125T83-Q111 HydrophobicContact CG2-CG 3.78Å; V84-Q111 WeakPolarHBondContact O-CA 3.4Å; Q111-R123 HydrophobicContact CB-CB 4.47Å; Q111-R123 PolarHBondContact N-O 2.84Å; Q111-R123 PolarHBondContact O-N 2.93Å; Q111-L125 HydrophobicContact CB-CD1 3.99Å
112I97.5Very high93.6Very high0 Ų051.3 Ų51.30%029%0.286CS..EExtended strand (participates in β ladder)trans-99.7131.5170.3-61.3168.4000106.4L70 M79 T83 V84 I86 F120 S121 L122 L146 F152 F163L70-I112 HydrophobicContact CD2-CD1 3.58Å; M79-I112 HydrophobicContact CE-CG2 4.09Å; M79-I112 HydrophobicContact SD-CG2 3.98Å; T83-I112 CarbonylContact C-O 3.47Å; T83-I112 VanDerWaalsContact CA-O 3.24Å; T83-I112 WeakPolarHBondContact CA-O 3.48Å; V84-I112 PolarHBondContact N-O 2.98Å; V84-I112 PolarHBondContact O-N 3.48Å; I86-I112 HydrophobicContact CD1-CD1 3.95Å; I112-F120 HydrophobicContact CG2-CD1 4.16Å; I112-S121 CarbonylContact C-O 3.58Å; I112-S121 WeakPolarHBondContact CA-O 3.26Å; I112-L122 HydrophobicContact CD1-CD1 4.27Å; I112-L122 HydrophobicContact CG1-CD1 3.5Å; I112-L146 HydrophobicContact CG2-CD1 4.25Å; I112-F152 HydrophobicContact CD1-CE2 3.67Å; I112-F152 HydrophobicContact CD1-CZ 4.04Å; I112-F163 HydrophobicContact CD1-CD2 4.37Å; I112-F163 HydrophobicContact CG2-CE2 4.47Å
113T97.2Very high94Very high41 Ų4155.6 Ų55.625%0.25230%0.297SS..EExtended strand (participates in β ladder)trans-128.6129.1176.4-67.20000108.8R82 T83 S121R82-T113 CarbonylContact O-C 3.56Å; R82-T113 VanDerWaalsContact O-CA 3.3Å; R82-T113 WeakPolarHBondContact O-CA 3.47Å; T83-T113 PolarHBondContact OG1-OG1 3.26Å; T113-S121 PolarHBondContact N-O 3.31Å; T113-S121 PolarHBondContact O-N 3.42Å; T113-S121 PolarHBondContact O-OG 3.37Å
114Y95.6Very high94.4Very high42 Ų4252.5 Ų52.517%0.16528%0.275CS..EExtended strand (participates in β ladder)trans-96.3133170.3173.8-105000109.6L67 R82 E116 G119 F120 L167L67-Y114 HydrophobicContact CD1-CD1 4.03Å; L67-Y114 HydrophobicContact CD1-CG 4.35Å; R82-Y114 PolarHBondContact O-N 3.02Å; Y114-E116 HydrophobicContact CE1-CG 4.2Å; Y114-G119 WeakPolarHBondContact CA-O 3.42Å; Y114-F120 HydrophobicContact CD2-CD1 4.14Å; Y114-F120 AromaticContact CD2-CD2 3.91Å; Y114-F120 HydrophobicContact CD2-CD2 3.91Å; Y114-F120 AromaticContact CD2-CE1 3.94Å; Y114-F120 HydrophobicContact CD2-CE1 3.94Å; Y114-F120 AromaticContact CD2-CE2 3.68Å; Y114-F120 HydrophobicContact CD2-CE2 3.68Å; Y114-F120 HydrophobicContact CD2-CG 4.12Å; Y114-F120 AromaticContact CD2-CZ 3.68Å; Y114-F120 HydrophobicContact CD2-CZ 3.68Å; Y114-F120 HydrophobicContact CE2-CD2 4.48Å; Y114-F120 HydrophobicContact CE2-CE2 4.14Å; Y114-F120 HydrophobicContact CE2-CZ 4.42Å; Y114-F120 HydrophobicContact CG-CD1 4.49Å; Y114-F120 HydrophobicContact CG-CE1 4.13Å; Y114-F120 HydrophobicContact CG-CZ 4.15Å; Y114-L167 HydrophobicContact CD2-CD1 3.96Å; Y114-L167 HydrophobicContact CE1-CD1 4.17Å; Y114-L167 HydrophobicContact CE2-CD1 3.23Å; Y114-L167 WeakPolarHBondContact OH-CD1 3.46Å
115D93.4Very high94.5Very high81 Ų8150.7 Ų50.743%0.43327%0.27SS..EExtended strand (participates in β ladder)trans-128146.2172.2-176.529.7000109.8G119D115-G119 PolarHBondContact N-O 2.91Å; D115-G119 WeakPolarHBondContact O-CA 3.35Å; D115-G119 PolarHBondContact O-N 3.35Å
116E88Confident94.6Very high127 Ų12750.7 Ų50.759%0.59327%0.27SS*.THydrogen-bonded Turntrans-70.4-34.4-174.3-74.4163.9-151.400112.3R82 Y114R82-E116 IonicContact CZ-OE1 3.48Å; R82-E116 IonicContact NH1-OE1 3.16Å; R82-E116 PolarHBondContact NH1-OE1 3.28Å; R82-E116 IonicContact NH2-OE1 2.92Å; R82-E116 PolarHBondContact NH2-OE1 2.92Å; Y114-E116 HydrophobicContact CE1-CG 4.2Å
117A87.3Confident94.5Very high101 Ų10156.8 Ų56.884%0.83529%0.294SS*.THydrogen-bonded Turntrans-89.7-26.3176.500000113.3
118G83.5Confident94.6Very high51 Ų5153 Ų5353%0.52628%0.283SS..THydrogen-bonded Turntrans-105.5-6.9-17300000116
119G92.6Very high94.7Very high29 Ų2944.9 Ų44.930%0.29925%0.252SS..EExtended strand (participates in β ladder)trans66.2-146.9-17400000113Y114 D115Y114-G119 WeakPolarHBondContact CA-O 3.42Å; D115-G119 PolarHBondContact N-O 2.91Å; D115-G119 WeakPolarHBondContact O-CA 3.35Å; D115-G119 PolarHBondContact O-N 3.35Å
120F96.5Very high94.7Very high13 Ų1344.9 Ų44.96%0.05725%0.252CS..EExtended strand (participates in β ladder)trans-88.8136178.8-70.7-88000112.1L67 A68 M79 I112 Y114 P145 L146 F163 S165 L167L67-F120 HydrophobicContact CB-CE1 4.21Å; L67-F120 HydrophobicContact CB-CZ 3.85Å; L67-F120 VanDerWaalsContact O-CZ 3.31Å; L67-F120 WeakPolarHBondContact O-CZ 3.5Å; A68-F120 HydrophobicContact CB-CE1 3.79Å; A68-F120 HydrophobicContact CB-CZ 3.87Å; M79-F120 HydrophobicContact CE-CE1 4.17Å; M79-F120 HydrophobicContact SD-CE1 4.09Å; I112-F120 HydrophobicContact CG2-CD1 4.16Å; Y114-F120 HydrophobicContact CD2-CD1 4.14Å; Y114-F120 AromaticContact CD2-CD2 3.91Å; Y114-F120 HydrophobicContact CD2-CD2 3.91Å; Y114-F120 AromaticContact CD2-CE1 3.94Å; Y114-F120 HydrophobicContact CD2-CE1 3.94Å; Y114-F120 AromaticContact CD2-CE2 3.68Å; Y114-F120 HydrophobicContact CD2-CE2 3.68Å; Y114-F120 HydrophobicContact CD2-CG 4.12Å; Y114-F120 AromaticContact CD2-CZ 3.68Å; Y114-F120 HydrophobicContact CD2-CZ 3.68Å; Y114-F120 HydrophobicContact CE2-CD2 4.48Å; Y114-F120 HydrophobicContact CE2-CE2 4.14Å; Y114-F120 HydrophobicContact CE2-CZ 4.42Å; Y114-F120 HydrophobicContact CG-CD1 4.49Å; Y114-F120 HydrophobicContact CG-CE1 4.13Å; Y114-F120 HydrophobicContact CG-CZ 4.15Å; F120-P145 WeakPolarHBondContact O-CA 3.46Å; F120-L146 HydrophobicContact CB-CB 3.95Å; F120-L146 HydrophobicContact CB-CD1 4.3Å; F120-L146 PolarHBondContact O-N 3.47Å; F120-F163 HydrophobicContact CB-CZ 4.03Å; F120-F163 HydrophobicContact CD1-CE2 4.02Å; F120-F163 AromaticContact CD1-CZ 3.68Å; F120-F163 HydrophobicContact CD1-CZ 3.68Å; F120-F163 HydrophobicContact CD2-CZ 4.05Å; F120-F163 HydrophobicContact CE1-CE2 4.33Å; F120-F163 HydrophobicContact CE1-CZ 4.12Å; F120-F163 HydrophobicContact CE2-CZ 4.46Å; F120-F163 HydrophobicContact CG-CE2 4.42Å; F120-F163 AromaticContact CG-CZ 3.64Å; F120-F163 HydrophobicContact CG-CZ 3.64Å; F120-F163 HydrophobicContact CZ-CZ 4.5Å; F120-S165 VanDerWaalsContact CE2-OG 3.32Å; F120-S165 WeakPolarHBondContact CE2-OG 3.47Å; F120-L167 HydrophobicContact CE2-CD1 3.9Å; F120-L167 HydrophobicContact CE2-CG 4.33Å; F120-L167 HydrophobicContact CZ-CD1 4.18Å; F120-L167 HydrophobicContact CZ-CG 4.49Å
121S96.9Very high94.7Very high33 Ų3347.3 Ų47.323%0.23126%0.263CS..EExtended strand (participates in β ladder)trans-133.6144.5174.667.40000112.6I112 T113 L144I112-S121 CarbonylContact C-O 3.58Å; I112-S121 WeakPolarHBondContact CA-O 3.26Å; T113-S121 PolarHBondContact N-O 3.31Å; T113-S121 PolarHBondContact O-N 3.42Å; T113-S121 PolarHBondContact O-OG 3.37Å; S121-L144 CarbonylContact C-O 3.47Å; S121-L144 VanDerWaalsContact CA-O 3.32Å; S121-L144 WeakPolarHBondContact CA-O 3.34Å
122L97.6Very high94.7Very high1 Ų144.9 Ų44.91%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-113.3120.4-179.7-177.377.5000111L110 I112 V130 V132 P143 L144 L146 F152L110-L122 HydrophobicContact CB-CD1 3.97Å; L110-L122 HydrophobicContact CD1-CD1 4.27Å; L110-L122 HydrophobicContact CD2-CD1 4.34Å; L110-L122 HydrophobicContact CG-CD1 4.41Å; I112-L122 HydrophobicContact CD1-CD1 4.27Å; I112-L122 HydrophobicContact CG1-CD1 3.5Å; L122-V130 HydrophobicContact CD2-CG1 4.18Å; L122-V132 HydrophobicContact CD2-CG2 3.46Å; L122-V132 VanDerWaalsContact CD2-CG2 3.46Å; L122-P143 WeakPolarHBondContact O-CA 3.46Å; L122-L144 HydrophobicContact CB-CB 4.48Å; L122-L144 PolarHBondContact N-O 2.86Å; L122-L144 PolarHBondContact O-N 3.05Å; L122-L146 HydrophobicContact CB-CD1 4.11Å; L122-L146 HydrophobicContact CB-CD2 3.75Å; L122-L146 HydrophobicContact CB-CG 3.98Å; L122-L146 HydrophobicContact CD2-CD2 4.33Å; L122-F152 HydrophobicContact CD1-CZ 4.38Å; L122-F152 HydrophobicContact CD2-CD1 4.22Å; L122-F152 HydrophobicContact CD2-CE1 4.04Å
123R97.5Very high94.6Very high122 Ų12249.3 Ų49.346%0.4628%0.276SS..EExtended strand (participates in β ladder)trans-104.5119.9172.2-172.7178.6-68.2-113.13110.7Q111 L125Q111-R123 HydrophobicContact CB-CB 4.47Å; Q111-R123 PolarHBondContact N-O 2.84Å; Q111-R123 PolarHBondContact O-N 2.93Å; R123-L125 HydrophobicContact CG-CD2 3.96Å; R123-L125 PolarHBondContact O-N 3.24Å
124C97.3Very high94.3Very high7 Ų749.7 Ų49.75%0.04729%0.288CS..EExtended strand (participates in β ladder)trans-82.6112.6174.2-165.90000111.3L110 R139 G140L110-C124 HydrophobicContact CD2-CB 4.49Å; C124-R139 WeakPolarHBondContact O-CA 3.37Å; C124-G140 PolarHBondContact O-N 3.35Å
125L95.8Very high94.3Very high54 Ų5452.2 Ų52.228%0.28331%0.307SS..  trans-100.2-22.9178.5-58.5179.1000112.8R108 H109 Q111 R123 R139R108-L125 HydrophobicContact CB-CD1 4.18Å; H109-L125 CarbonylContact O-C 3.59Å; H109-L125 WeakPolarHBondContact O-CA 3.34Å; H109-L125 PolarHBondContact O-N 3.17Å; Q111-L125 HydrophobicContact CB-CD1 3.99Å; R123-L125 HydrophobicContact CG-CD2 3.96Å; R123-L125 PolarHBondContact O-N 3.24Å; L125-R139 VanDerWaalsContact O-CD 3.25Å; L125-R139 WeakPolarHBondContact O-CD 3.33Å; L125-R139 WeakPolarHBondContact O-CG 3.47Å; L125-R139 PolarHBondContact O-NE 3.26Å
126G94.8Very high94.4Very high0 Ų053.1 Ų53.10%031%0.307CS..SBendtrans-83.7143-171.500000114.6S106 H109 N128 G129 R139S106-G126 VanDerWaalsContact CB-CA 3.45Å; S106-G126 WeakPolarHBondContact OG-CA 3.4Å; H109-G126 PolarHBondContact O-N 3.16Å; G126-N128 PolarHBondContact O-N 3.46Å; G126-N128 VanDerWaalsContact O-N 3.1Å; G126-G129 PolarHBondContact O-N 3.25Å; G126-R139 WeakPolarHBondContact O-CB 3.3Å
127K94.4Very high94.8Very high145 Ų14548.5 Ų48.563%0.6329%0.286SS*.THydrogen-bonded Turntrans-61.6-21.1-170.759.6137.6-173.11540116.1S106S106-K127 PolarHBondContact OG-N 3.35Å; S106-K127 VanDerWaalsContact OG-N 3.08Å
128N95.4Very high95.3Very high39 Ų3952 Ų5221%0.20928%0.277CS..THydrogen-bonded Turntrans-96.6-9.7-175.2-71.83.9000113.1F104 G126 F136F104-N128 WeakPolarHBondContact CA-ND2 3.46Å; F104-N128 PolarHBondContact O-ND2 3.34Å; G126-N128 PolarHBondContact O-N 3.46Å; G126-N128 VanDerWaalsContact O-N 3.1Å; N128-F136 WeakPolarHBondContact O-CE2 3.49Å; N128-F136 WeakPolarHBondContact O-CZ 3.1Å
129G96Very high95.9Very high1 Ų158 Ų581%0.0128%0.284CS..  trans74.6-177.4-17100000113.9H109 G126 Q137 P155H109-G129 PolarHBondContact NE2-O 2.96Å; G126-G129 PolarHBondContact O-N 3.25Å; G129-Q137 CarbonylContact C-O 3.53Å; G129-Q137 WeakPolarHBondContact CA-O 3.45Å; G129-P155 WeakPolarHBondContact O-CD 3.24Å
130V97.7Very high95.8Very high0 Ų060 Ų600%031%0.305CS..EExtended strand (participates in β ladder)trans-142.9150.8177.4670000109.4L110 L122 V132 Q137 F152L110-V130 HydrophobicContact CD1-CG2 4.13Å; L110-V130 HydrophobicContact CD2-CB 3.86Å; L110-V130 HydrophobicContact CD2-CG1 3.65Å; L110-V130 HydrophobicContact CD2-CG2 4.23Å; L122-V130 HydrophobicContact CD2-CG1 4.18Å; V130-V132 HydrophobicContact CG1-CG2 4.21Å; V130-Q137 HydrophobicContact CG1-CB 4.12Å; V130-Q137 PolarHBondContact N-O 2.99Å; V130-Q137 PolarHBondContact O-N 3.31Å; V130-F152 HydrophobicContact CG2-CB 4.14Å
131F97.6Very high95.7Very high50 Ų5060 Ų6022%0.21931%0.307CS..EExtended strand (participates in β ladder)trans-96.2131.3164.1-63.1-89.8000109.4G134 V135 F136 F152 R153 P155F131-G134 WeakPolarHBondContact CD1-O 3.31Å; F131-V135 CarbonylContact C-O 3.54Å; F131-V135 VanDerWaalsContact CA-O 3.31Å; F131-V135 WeakPolarHBondContact CA-O 3.45Å; F131-F136 HydrophobicContact CD1-CB 3.84Å; F131-F136 HydrophobicContact CD1-CD2 4.09Å; F131-F136 HydrophobicContact CD1-CG 4.46Å; F131-F136 HydrophobicContact CD2-CD2 4.32Å; F131-F136 HydrophobicContact CE1-CB 3.74Å; F131-F136 AromaticContact CE1-CD2 3.89Å; F131-F136 HydrophobicContact CE1-CD2 3.89Å; F131-F136 HydrophobicContact CE1-CG 4.2Å; F131-F136 HydrophobicContact CE2-CD2 4.13Å; F131-F136 HydrophobicContact CG-CD2 4.31Å; F131-F136 AromaticContact CZ-CD2 3.91Å; F131-F136 HydrophobicContact CZ-CD2 3.91Å; F131-F152 CarbonylContact O-C 3.47Å; F131-F152 WeakPolarHBondContact O-CA 3.32Å; F131-R153 HydrophobicContact CB-CB 4.28Å; F131-R153 VanDerWaalsContact CE2-NH2 3.32Å; F131-R153 VanDerWaalsContact CG-NH2 3.29Å; F131-R153 PolarHBondContact N-O 3.49Å; F131-R153 PolarHBondContact O-N 3.1Å; F131-P155 HydrophobicContact CD2-CG 3.94Å; F131-P155 HydrophobicContact CE2-CB 4.1Å; F131-P155 HydrophobicContact CE2-CG 3.76Å
132V97.3Very high95.6Very high6 Ų663.2 Ų63.24%0.03633%0.328CS..EExtended strand (participates in β ladder)trans-113.6113.7169.5-171.50000106.4L122 V130 G134 V135 L144 L146 C150 F152L122-V132 HydrophobicContact CD2-CG2 3.46Å; L122-V132 VanDerWaalsContact CD2-CG2 3.46Å; V130-V132 HydrophobicContact CG1-CG2 4.21Å; V132-G134 PolarHBondContact O-N 3.42Å; V132-V135 PolarHBondContact N-O 3.23Å; V132-V135 WeakPolarHBondContact O-CA 3.39Å; V132-V135 WeakPolarHBondContact O-CB 3.5Å; V132-V135 PolarHBondContact O-N 3.47Å; V132-L144 HydrophobicContact CB-CD2 3.85Å; V132-L144 HydrophobicContact CG1-CD2 4.03Å; V132-L144 HydrophobicContact CG2-CD2 3.78Å; V132-L146 HydrophobicContact CG1-CD2 4.21Å; V132-C150 HydrophobicContact CG1-CB 4.08Å; V132-F152 HydrophobicContact CB-CD1 4.45Å; V132-F152 HydrophobicContact CG1-CD1 4.03Å; V132-F152 HydrophobicContact CG1-CE1 4.02Å; V132-F152 HydrophobicContact CG2-CD1 3.98Å; V132-F152 HydrophobicContact CG2-CE1 4.36Å
133D94.9Very high95.4Very high93 Ų9365.7 Ų65.750%0.49734%0.344SS..THydrogen-bonded Turntrans50.532-175.6-53.6-40.2000114.3V135 C150 V151D133-V135 VanDerWaalsContact C-N 3.35Å; D133-C150 WeakPolarHBondContact OD1-CA 3.36Å; D133-C150 WeakPolarHBondContact OD2-CA 3.41Å; D133-C150 WeakPolarHBondContact OD2-CB 3.4Å; D133-V151 PolarHBondContact N-O 3.39Å; D133-V151 VanDerWaalsContact N-O 3.07Å; D133-V151 PolarHBondContact OD1-N 3.06Å
134G90.7Very high95.4Very high49 Ų4962 Ų6251%0.50533%0.333SS..THydrogen-bonded Turntrans89.4-15.9-17700000115.1F131 V132F131-G134 WeakPolarHBondContact CD1-O 3.31Å; V132-G134 PolarHBondContact O-N 3.42Å
135V94.6Very high95.3Very high94 Ų9466.1 Ų66.157%0.5736%0.36SS*.EExtended strand (participates in β ladder)trans-75.3122.7173.1-175.10000109.8F131 V132 D133 Q137F131-V135 CarbonylContact C-O 3.54Å; F131-V135 VanDerWaalsContact CA-O 3.31Å; F131-V135 WeakPolarHBondContact CA-O 3.45Å; V132-V135 PolarHBondContact N-O 3.23Å; V132-V135 WeakPolarHBondContact O-CA 3.39Å; V132-V135 WeakPolarHBondContact O-CB 3.5Å; V132-V135 PolarHBondContact O-N 3.47Å; D133-V135 VanDerWaalsContact C-N 3.35Å; V135-Q137 PolarHBondContact O-N 3.43Å
136F96.5Very high95.3Very high101 Ų10164.5 Ų64.544%0.44335%0.351SS..EExtended strand (participates in β ladder)trans-82116.6-179.4-178.3-109.2000112.1N128 F131 R138 P155N128-F136 WeakPolarHBondContact O-CE2 3.49Å; N128-F136 WeakPolarHBondContact O-CZ 3.1Å; F131-F136 HydrophobicContact CD1-CB 3.84Å; F131-F136 HydrophobicContact CD1-CD2 4.09Å; F131-F136 HydrophobicContact CD1-CG 4.46Å; F131-F136 HydrophobicContact CD2-CD2 4.32Å; F131-F136 HydrophobicContact CE1-CB 3.74Å; F131-F136 AromaticContact CE1-CD2 3.89Å; F131-F136 HydrophobicContact CE1-CD2 3.89Å; F131-F136 HydrophobicContact CE1-CG 4.2Å; F131-F136 HydrophobicContact CE2-CD2 4.13Å; F131-F136 HydrophobicContact CG-CD2 4.31Å; F131-F136 AromaticContact CZ-CD2 3.91Å; F131-F136 HydrophobicContact CZ-CD2 3.91Å; F136-R138 HydrophobicContact CE1-CB 4.03Å; F136-P155 HydrophobicContact CE2-CG 3.9Å
137Q97.1Very high95.3Very high29 Ų2967.7 Ų67.714%0.13637%0.372CS..EExtended strand (participates in β ladder)trans-99.4128.9169.6-95.3-70.94200112.6G129 V130 V135 P142 L144G129-Q137 CarbonylContact C-O 3.53Å; G129-Q137 WeakPolarHBondContact CA-O 3.45Å; V130-Q137 HydrophobicContact CG1-CB 4.12Å; V130-Q137 PolarHBondContact N-O 2.99Å; V130-Q137 PolarHBondContact O-N 3.31Å; V135-Q137 PolarHBondContact O-N 3.43Å; Q137-P142 PolarHBondContact NE2-O 2.94Å; Q137-P142 VanDerWaalsContact NE2-O 3.09Å; Q137-L144 HydrophobicContact CG-CB 4.31Å; Q137-L144 HydrophobicContact CG-CD2 4.17Å
138R96.5Very high95.3Very high175 Ų17567.9 Ų67.966%0.6637%0.369SS*.PPolyproline II helixtrans-98.1157.2-177.564.6-179.4177.8178.4-1.6112.1F136 G140 A141F136-R138 HydrophobicContact CE1-CB 4.03Å; R138-G140 PolarHBondContact O-N 3.18Å; R138-A141 HydrophobicContact CG-CB 4.01Å; R138-A141 WeakPolarHBondContact O-CB 3.14Å; R138-A141 PolarHBondContact O-N 2.79Å
139R95.9Very high95.4Very high176 Ų17670.9 Ų70.966%0.66438%0.381SS*.THydrogen-bonded Turntrans-55.6127.5174.5-172.5174.9-177.5-120.7-6.3111.2C124 L125 G126 A141C124-R139 WeakPolarHBondContact O-CA 3.37Å; L125-R139 VanDerWaalsContact O-CD 3.25Å; L125-R139 WeakPolarHBondContact O-CD 3.33Å; L125-R139 WeakPolarHBondContact O-CG 3.47Å; L125-R139 PolarHBondContact O-NE 3.26Å; G126-R139 WeakPolarHBondContact O-CB 3.3Å; R139-A141 VanDerWaalsContact C-N 3.3Å; R139-A141 PolarHBondContact O-N 2.87Å
140G91.4Very high95.4Very high71 Ų7171 Ų7173%0.73238%0.382SS*.THydrogen-bonded Turntrans76.710.4176.100000115.4C124 R138C124-G140 PolarHBondContact O-N 3.35Å; R138-G140 PolarHBondContact O-N 3.18Å
141A93.6Very high95.4Very high14 Ų1473.3 Ų73.312%0.11640%0.396CS..PPolyproline II helixtrans-65.5163160.300000111.2R138 R139R138-A141 HydrophobicContact CG-CB 4.01Å; R138-A141 WeakPolarHBondContact O-CB 3.14Å; R138-A141 PolarHBondContact O-N 2.79Å; R139-A141 VanDerWaalsContact C-N 3.3Å; R139-A141 PolarHBondContact O-N 2.87Å
142P94.4Very high95.5Very high101 Ų10170.9 Ų70.966%0.65639%0.385SS*.PPolyproline II helixtrans-54.3152.9170.3-24.735000111.9Q137 L144Q137-P142 PolarHBondContact NE2-O 2.94Å; Q137-P142 VanDerWaalsContact NE2-O 3.09Å; P142-L144 PolarHBondContact O-N 2.81Å
143P95.1Very high95.4Very high53 Ų5375.6 Ų75.634%0.34440%0.402SS..PPolyproline II helixtrans-54.1129.6170.8-22.634000110.5L122L122-P143 WeakPolarHBondContact O-CA 3.46Å
144L95.9Very high95.5Very high44 Ų4471.2 Ų71.223%0.2338%0.379CS..EExtended strand (participates in β ladder)trans-85121.9175.1-173.873.9000108.3S121 L122 V132 Q137 P142S121-L144 CarbonylContact C-O 3.47Å; S121-L144 VanDerWaalsContact CA-O 3.32Å; S121-L144 WeakPolarHBondContact CA-O 3.34Å; L122-L144 HydrophobicContact CB-CB 4.48Å; L122-L144 PolarHBondContact N-O 2.86Å; L122-L144 PolarHBondContact O-N 3.05Å; V132-L144 HydrophobicContact CB-CD2 3.85Å; V132-L144 HydrophobicContact CG1-CD2 4.03Å; V132-L144 HydrophobicContact CG2-CD2 3.78Å; Q137-L144 HydrophobicContact CG-CB 4.31Å; Q137-L144 HydrophobicContact CG-CD2 4.17Å; P142-L144 PolarHBondContact O-N 2.81Å
145P96.1Very high95.6Very high94 Ų9469.9 Ų69.961%0.6136%0.361SS*.EExtended strand (participates in β ladder)trans-62.1136.7168.127.6-33.6000109.2F120F120-P145 WeakPolarHBondContact O-CA 3.46Å
146L95.9Very high95.3Very high19 Ų1970 Ų7010%0.09937%0.366CS..PPolyproline II helixtrans-97.8133.4-179.9-65.4-178.6000110.4I112 F120 L122 V132 F152 F163I112-L146 HydrophobicContact CG2-CD1 4.25Å; F120-L146 HydrophobicContact CB-CB 3.95Å; F120-L146 HydrophobicContact CB-CD1 4.3Å; F120-L146 PolarHBondContact O-N 3.47Å; L122-L146 HydrophobicContact CB-CD1 4.11Å; L122-L146 HydrophobicContact CB-CD2 3.75Å; L122-L146 HydrophobicContact CB-CG 3.98Å; L122-L146 HydrophobicContact CD2-CD2 4.33Å; V132-L146 HydrophobicContact CG1-CD2 4.21Å; L146-F152 HydrophobicContact CD1-CE1 4.23Å; L146-F152 HydrophobicContact CD1-CZ 3.76Å; L146-F152 HydrophobicContact CD2-CE1 3.79Å; L146-F152 HydrophobicContact CD2-CZ 4.2Å; L146-F163 HydrophobicContact CB-CE1 4.26Å; L146-F163 HydrophobicContact CD1-CD1 4.42Å; L146-F163 HydrophobicContact CD1-CD2 4.43Å; L146-F163 HydrophobicContact CD1-CE1 4.25Å; L146-F163 HydrophobicContact CD1-CE2 4.25Å; L146-F163 HydrophobicContact CD1-CZ 4.18Å
147P94.8Very high95.1Very high68 Ų6866.7 Ų66.744%0.44236%0.355SS..PPolyproline II helixtrans-68.3172.5168.633.3-37.3000110.7E149 C150P147-E149 WeakPolarHBondContact CG-O 3.22Å; P147-E149 PolarHBondContact O-N 2.77Å; P147-C150 HydrophobicContact CG-CB 3.86Å
148R94Very high94.8Very high149 Ų14971.2 Ų71.256%0.56238%0.384SS*.SBendtrans-55.2-36.8179.4-162.9-170.5-174.4-152.35.1112.5T164 S165R148-T164 CarbonylContact O-C 3.57Å; R148-T164 WeakPolarHBondContact O-CA 3.46Å; R148-S165 PolarHBondContact O-N 2.83Å
149E96.9Very high94.7Very high102 Ų10265.1 Ų65.148%0.47736%0.364SS..EExtended strand (participates in β ladder)trans-135.4135.4174.4-67-173.2-158.900111.4P147 F163 T164P147-E149 WeakPolarHBondContact CG-O 3.22Å; P147-E149 PolarHBondContact O-N 2.77Å; E149-F163 VanDerWaalsContact CA-O 3.28Å; E149-F163 WeakPolarHBondContact CA-O 3.4Å; E149-T164 HydrophobicContact CG-CG2 3.95Å
150C97.3Very high94.6Very high4 Ų463.1 Ų63.13%0.02736%0.36CS..EExtended strand (participates in β ladder)trans-157.4163.7177.856.20000112.3V132 D133 P147 F152 F163V132-C150 HydrophobicContact CG1-CB 4.08Å; D133-C150 WeakPolarHBondContact OD1-CA 3.36Å; D133-C150 WeakPolarHBondContact OD2-CA 3.41Å; D133-C150 WeakPolarHBondContact OD2-CB 3.4Å; P147-C150 HydrophobicContact CG-CB 3.86Å; C150-F152 VanDerWaalsContact SG-CE1 3.54Å; C150-F163 PolarHBondContact N-O 2.92Å; C150-F163 VanDerWaalsContact N-O 3.11Å; C150-F163 PolarHBondContact O-N 3.26Å; C150-F163 VanDerWaalsContact SG-CD1 3.55Å
151V97.7Very high94.9Very high47 Ų4759.7 Ų59.729%0.28533%0.325SS..EExtended strand (participates in β ladder)trans-119.4119.5178.8-178.30000111.8D133 K160 I161 Q162D133-V151 PolarHBondContact N-O 3.39Å; D133-V151 VanDerWaalsContact N-O 3.07Å; D133-V151 PolarHBondContact OD1-N 3.06Å; V151-K160 HydrophobicContact CG1-CB 4.14Å; V151-K160 HydrophobicContact CG1-CD 4.25Å; V151-K160 HydrophobicContact CG1-CG 4.36Å; V151-I161 CarbonylContact C-O 3.59Å; V151-I161 WeakPolarHBondContact CA-O 3.3Å; V151-Q162 HydrophobicContact CG2-CB 4.48Å; V151-Q162 HydrophobicContact CG2-CG 4.39Å
152F97.8Very high95.1Very high0 Ų063.2 Ų63.20%034%0.339CS..EExtended strand (participates in β ladder)trans-86.2123.7170.9-46-39.6000110.4L70 I112 L122 V130 F131 V132 L146 C150 K160 I161 F163L70-F152 HydrophobicContact CD2-CE2 4.18Å; I112-F152 HydrophobicContact CD1-CE2 3.67Å; I112-F152 HydrophobicContact CD1-CZ 4.04Å; L122-F152 HydrophobicContact CD1-CZ 4.38Å; L122-F152 HydrophobicContact CD2-CD1 4.22Å; L122-F152 HydrophobicContact CD2-CE1 4.04Å; V130-F152 HydrophobicContact CG2-CB 4.14Å; F131-F152 CarbonylContact O-C 3.47Å; F131-F152 WeakPolarHBondContact O-CA 3.32Å; V132-F152 HydrophobicContact CB-CD1 4.45Å; V132-F152 HydrophobicContact CG1-CD1 4.03Å; V132-F152 HydrophobicContact CG1-CE1 4.02Å; V132-F152 HydrophobicContact CG2-CD1 3.98Å; V132-F152 HydrophobicContact CG2-CE1 4.36Å; L146-F152 HydrophobicContact CD1-CE1 4.23Å; L146-F152 HydrophobicContact CD1-CZ 3.76Å; L146-F152 HydrophobicContact CD2-CE1 3.79Å; L146-F152 HydrophobicContact CD2-CZ 4.2Å; C150-F152 VanDerWaalsContact SG-CE1 3.54Å; F152-K160 CarbonylContact O-C 3.54Å; F152-K160 VanDerWaalsContact O-CA 3.24Å; F152-K160 WeakPolarHBondContact O-CA 3.42Å; F152-I161 HydrophobicContact CB-CB 4.4Å; F152-I161 HydrophobicContact CD2-CB 4.16Å; F152-I161 HydrophobicContact CD2-CG2 4.43Å; F152-I161 PolarHBondContact N-O 3.1Å; F152-I161 PolarHBondContact O-N 3.21Å; F152-F163 HydrophobicContact CE2-CB 3.76Å; F152-F163 HydrophobicContact CE2-CD2 4.39Å; F152-F163 HydrophobicContact CE2-CG 4.33Å; F152-F163 HydrophobicContact CZ-CB 3.67Å; F152-F163 HydrophobicContact CZ-CD2 4.24Å; F152-F163 AromaticContact CZ-CG 3.98Å; F152-F163 HydrophobicContact CZ-CG 3.98Å
153R96.6Very high95.3Very high105 Ų10558.4 Ų58.440%0.39631%0.308SS..EExtended strand (participates in β ladder)trans-119.8123.2173.7-176.4-17073.4-154.72.1110.6F131 K160F131-R153 HydrophobicContact CB-CB 4.28Å; F131-R153 VanDerWaalsContact CE2-NH2 3.32Å; F131-R153 VanDerWaalsContact CG-NH2 3.29Å; F131-R153 PolarHBondContact N-O 3.49Å; F131-R153 PolarHBondContact O-N 3.1Å; R153-K160 HydrophobicContact CB-CG 4.47Å; R153-K160 HydrophobicContact CG-CG 4.36Å
154F95.9Very high95.4Very high1 Ų156.7 Ų56.70%0.00430%0.296CS..  trans-80.5124.4178.8-67-85.4000111.4I86 M99 I105 H109 L110 T157 I159 I161I86-F154 HydrophobicContact CG2-CZ 4.07Å; M99-F154 HydrophobicContact CE-CE2 4.13Å; M99-F154 HydrophobicContact CG-CE2 4.48Å; M99-F154 HydrophobicContact CG-CZ 4.46Å; I105-F154 HydrophobicContact CD1-CB 4.34Å; I105-F154 HydrophobicContact CD1-CD1 4.12Å; I105-F154 HydrophobicContact CD1-CD2 4.02Å; I105-F154 HydrophobicContact CD1-CE1 4.43Å; I105-F154 HydrophobicContact CD1-CE2 4.35Å; I105-F154 HydrophobicContact CD1-CG 3.89Å; I105-F154 HydrophobicContact CG1-CB 4.36Å; I105-F154 HydrophobicContact CG1-CD1 4Å; I105-F154 HydrophobicContact CG1-CE1 4.5Å; I105-F154 HydrophobicContact CG1-CG 4.11Å; H109-F154 HydrophobicContact CB-CE1 4.14Å; H109-F154 AromaticContact CE1-CD1 3.67Å; H109-F154 AromaticContact CG-CE1 3.69Å; H109-F154 AromaticContact ND1-CD1 3.66Å; H109-F154 AromaticContact ND1-CE1 3.67Å; L110-F154 HydrophobicContact CD1-CE1 3.88Å; L110-F154 HydrophobicContact CD1-CZ 3.68Å; L110-F154 HydrophobicContact CG-CE1 4.11Å; L110-F154 HydrophobicContact CG-CZ 4.3Å; F154-T157 HydrophobicContact CB-CG2 4.5Å; F154-T157 WeakPolarHBondContact CB-OG1 3.32Å; F154-T157 PolarHBondContact O-N 2.98Å; F154-T157 PolarHBondContact O-OG1 3.41Å; F154-I159 HydrophobicContact CD2-CB 4.15Å; F154-I159 HydrophobicContact CD2-CG2 3.73Å; F154-I159 HydrophobicContact CE2-CG2 4.16Å; F154-I159 PolarHBondContact N-O 2.91Å; F154-I159 VanDerWaalsContact N-O 3.12Å; F154-I161 HydrophobicContact CE2-CD1 3.85Å; F154-I161 HydrophobicContact CE2-CG1 4.22Å; F154-I161 HydrophobicContact CZ-CD1 4.31Å
155P92.4Very high95.4Very high20 Ų2055.2 Ų55.213%0.1329%0.29CS..THydrogen-bonded Turntrans-54.8144.8178.8-24.632.1000113G129 F131 F136 T157G129-P155 WeakPolarHBondContact O-CD 3.24Å; F131-P155 HydrophobicContact CD2-CG 3.94Å; F131-P155 HydrophobicContact CE2-CB 4.1Å; F131-P155 HydrophobicContact CE2-CG 3.76Å; F136-P155 HydrophobicContact CE2-CG 3.9Å; P155-T157 PolarHBondContact O-N 3.44Å
156S90.1Very high95.3Very high97 Ų9754 Ų5468%0.67828%0.277SS*.THydrogen-bonded Turntrans58.123.8-176.8-51.70000114.5
157T91.1Very high95Very high32 Ų3254.3 Ų54.320%0.19628%0.279CS..SBendtrans-140162.7172.377.70000111F104 F154 P155 I159F104-T157 HydrophobicContact CB-CG2 3.77Å; F104-T157 HydrophobicContact CD2-CG2 4.44Å; F104-T157 HydrophobicContact CG-CG2 4.34Å; F154-T157 HydrophobicContact CB-CG2 4.5Å; F154-T157 WeakPolarHBondContact CB-OG1 3.32Å; F154-T157 PolarHBondContact O-N 2.98Å; F154-T157 PolarHBondContact O-OG1 3.41Å; P155-T157 PolarHBondContact O-N 3.44Å; T157-I159 WeakPolarHBondContact OG1-CB 3.47Å; T157-I159 PolarHBondContact OG1-N 3.45Å
158V91.5Very high94.1Very high124 Ų12459.1 Ų59.175%0.75230%0.296SS*.  trans-84.22.9169.1-610000113.1K160V158-K160 PolarHBondContact O-N 3.24Å
159I93.4Very high92.7Very high47 Ų4757.4 Ų57.424%0.24130%0.302CS..  trans-77.1118.4-171.4-59.9171.3000109.4M99 I105 F154 T157M99-I159 HydrophobicContact CE-CG2 3.37Å; I105-I159 HydrophobicContact CD1-CD1 3.73Å; F154-I159 HydrophobicContact CD2-CB 4.15Å; F154-I159 HydrophobicContact CD2-CG2 3.73Å; F154-I159 HydrophobicContact CE2-CG2 4.16Å; F154-I159 PolarHBondContact N-O 2.91Å; F154-I159 VanDerWaalsContact N-O 3.12Å; T157-I159 WeakPolarHBondContact OG1-CB 3.47Å; T157-I159 PolarHBondContact OG1-N 3.45Å
160K95.4Very high90.8Very high133 Ų13360.4 Ų60.458%0.57832%0.316SS*.EExtended strand (participates in β ladder)trans-112.8150.5168.4-62.6-178.7-178.4-178.10109.7V151 F152 R153 V158V151-K160 HydrophobicContact CG1-CB 4.14Å; V151-K160 HydrophobicContact CG1-CD 4.25Å; V151-K160 HydrophobicContact CG1-CG 4.36Å; F152-K160 CarbonylContact O-C 3.54Å; F152-K160 VanDerWaalsContact O-CA 3.24Å; F152-K160 WeakPolarHBondContact O-CA 3.42Å; R153-K160 HydrophobicContact CB-CG 4.47Å; R153-K160 HydrophobicContact CG-CG 4.36Å; V158-K160 PolarHBondContact O-N 3.24Å
161I97.4Very high88.4Confident0 Ų067.9 Ų67.90%035%0.35CS..EExtended strand (participates in β ladder)trans-129.8126.7164.1-50.5177.3000106.7L70 E71 F75 I86 M99 V151 F152 F154L70-I161 HydrophobicContact CB-CG2 4.03Å; L70-I161 HydrophobicContact CD2-CG2 4.23Å; E71-I161 CarbonylContact O-C 3.49Å; E71-I161 VanDerWaalsContact O-CA 3.27Å; E71-I161 WeakPolarHBondContact O-CA 3.45Å; E71-I161 WeakPolarHBondContact O-CG2 3.47Å; F75-I161 HydrophobicContact CZ-CD1 4.17Å; F75-I161 HydrophobicContact CZ-CG1 4.12Å; F75-I161 HydrophobicContact CZ-CG2 4.46Å; I86-I161 HydrophobicContact CD1-CD1 4.03Å; I86-I161 HydrophobicContact CG2-CD1 3.86Å; M99-I161 HydrophobicContact CE-CD1 3.66Å; M99-I161 HydrophobicContact CE-CG1 3.87Å; M99-I161 HydrophobicContact SD-CD1 3.89Å; V151-I161 CarbonylContact C-O 3.59Å; V151-I161 WeakPolarHBondContact CA-O 3.3Å; F152-I161 HydrophobicContact CB-CB 4.4Å; F152-I161 HydrophobicContact CD2-CB 4.16Å; F152-I161 HydrophobicContact CD2-CG2 4.43Å; F152-I161 PolarHBondContact N-O 3.1Å; F152-I161 PolarHBondContact O-N 3.21Å; F154-I161 HydrophobicContact CE2-CD1 3.85Å; F154-I161 HydrophobicContact CE2-CG1 4.22Å; F154-I161 HydrophobicContact CZ-CD1 4.31Å
162Q98Very high85.8Confident87 Ų8773.3 Ų73.341%0.40737%0.372SS..EExtended strand (participates in β ladder)trans-88.1134.8167.5-175.1162.3-12.400108.9L70 E71 V151L70-Q162 CarbonylContact C-O 3.52Å; L70-Q162 WeakPolarHBondContact CA-O 3.29Å; E71-Q162 PolarHBondContact N-O 3.22Å; E71-Q162 PolarHBondContact O-N 2.99Å; V151-Q162 HydrophobicContact CG2-CB 4.48Å; V151-Q162 HydrophobicContact CG2-CG 4.39Å
163F98.1Very high83.3Confident0 Ų083.9 Ų83.90%041%0.412CS..EExtended strand (participates in β ladder)trans-113.2136.6177167.1-85.5000108.7A68 R69 L70 I112 F120 L146 E149 C150 F152A68-F163 HydrophobicContact CB-CD2 4.23Å; A68-F163 HydrophobicContact CB-CE2 3.45Å; A68-F163 VanDerWaalsContact CB-CE2 3.45Å; A68-F163 HydrophobicContact CB-CZ 3.82Å; R69-F163 WeakPolarHBondContact O-CA 3.37Å; L70-F163 HydrophobicContact CD1-CD2 4.2Å; L70-F163 HydrophobicContact CD2-CD2 4.4Å; L70-F163 HydrophobicContact CG-CD2 4.07Å; I112-F163 HydrophobicContact CD1-CD2 4.37Å; I112-F163 HydrophobicContact CG2-CE2 4.47Å; F120-F163 HydrophobicContact CB-CZ 4.03Å; F120-F163 HydrophobicContact CD1-CE2 4.02Å; F120-F163 AromaticContact CD1-CZ 3.68Å; F120-F163 HydrophobicContact CD1-CZ 3.68Å; F120-F163 HydrophobicContact CD2-CZ 4.05Å; F120-F163 HydrophobicContact CE1-CE2 4.33Å; F120-F163 HydrophobicContact CE1-CZ 4.12Å; F120-F163 HydrophobicContact CE2-CZ 4.46Å; F120-F163 HydrophobicContact CG-CE2 4.42Å; F120-F163 AromaticContact CG-CZ 3.64Å; F120-F163 HydrophobicContact CG-CZ 3.64Å; F120-F163 HydrophobicContact CZ-CZ 4.5Å; L146-F163 HydrophobicContact CB-CE1 4.26Å; L146-F163 HydrophobicContact CD1-CD1 4.42Å; L146-F163 HydrophobicContact CD1-CD2 4.43Å; L146-F163 HydrophobicContact CD1-CE1 4.25Å; L146-F163 HydrophobicContact CD1-CE2 4.25Å; L146-F163 HydrophobicContact CD1-CZ 4.18Å; E149-F163 VanDerWaalsContact CA-O 3.28Å; E149-F163 WeakPolarHBondContact CA-O 3.4Å; C150-F163 PolarHBondContact N-O 2.92Å; C150-F163 VanDerWaalsContact N-O 3.11Å; C150-F163 PolarHBondContact O-N 3.26Å; C150-F163 VanDerWaalsContact SG-CD1 3.55Å; F152-F163 HydrophobicContact CE2-CB 3.76Å; F152-F163 HydrophobicContact CE2-CD2 4.39Å; F152-F163 HydrophobicContact CE2-CG 4.33Å; F152-F163 HydrophobicContact CZ-CB 3.67Å; F152-F163 HydrophobicContact CZ-CD2 4.24Å; F152-F163 AromaticContact CZ-CG 3.98Å; F152-F163 HydrophobicContact CZ-CG 3.98Å
164T97.4Very high80.8Confident17 Ų1786.9 Ų86.910%0.10443%0.431CS..EExtended strand (participates in β ladder)trans-136.2119.3174.9-56.30000109A68 R69 R148 E149 L166A68-T164 CarbonylContact C-O 3.59Å; A68-T164 VanDerWaalsContact CA-O 3.26Å; A68-T164 WeakPolarHBondContact CA-O 3.32Å; A68-T164 WeakPolarHBondContact CB-O 3.42Å; R69-T164 PolarHBondContact N-O 2.87Å; R69-T164 PolarHBondContact O-N 2.99Å; R148-T164 CarbonylContact O-C 3.57Å; R148-T164 WeakPolarHBondContact O-CA 3.46Å; E149-T164 HydrophobicContact CG-CG2 3.95Å; T164-L166 PolarHBondContact O-N 3.01Å
165S95.6Very high78.2Confident13 Ų1396.3 Ų96.39%0.09147%0.472CS..EExtended strand (participates in β ladder)trans-66.8123.9168.1174.30000109.8F120 R148F120-S165 VanDerWaalsContact CE2-OG 3.32Å; F120-S165 WeakPolarHBondContact CE2-OG 3.47Å; R148-S165 PolarHBondContact O-N 2.83Å
166L93.8Very high75.9Confident68 Ų68103.8 Ų103.836%0.35651%0.505SS..  trans-93.7-7.4177.1-63.4176.3000112.3A66 L67 R69 V78 T164 E168A66-L166 HydrophobicContact CB-CD1 3.79Å; L67-L166 PolarHBondContact O-N 3.07Å; R69-L166 HydrophobicContact CB-CD1 4.1Å; R69-L166 HydrophobicContact CB-CD2 4.38Å; R69-L166 HydrophobicContact CB-CG 4.29Å; V78-L166 HydrophobicContact CG1-CD1 4.22Å; T164-L166 PolarHBondContact O-N 3.01Å; L166-E168 PolarHBondContact O-N 2.82Å
167L89.6Confident73.8Confident26 Ų26107.5 Ų107.514%0.13651%0.512CS..SBendtrans-64.2125.8165.5-58.6-179.6000108.8L67 Y114 F120 V169L67-L167 HydrophobicContact CD2-CD2 4Å; L67-L167 PolarHBondContact O-N 2.94Å; Y114-L167 HydrophobicContact CD2-CD1 3.96Å; Y114-L167 HydrophobicContact CE1-CD1 4.17Å; Y114-L167 HydrophobicContact CE2-CD1 3.23Å; Y114-L167 WeakPolarHBondContact OH-CD1 3.46Å; F120-L167 HydrophobicContact CE2-CD1 3.9Å; F120-L167 HydrophobicContact CE2-CG 4.33Å; F120-L167 HydrophobicContact CZ-CD1 4.18Å; F120-L167 HydrophobicContact CZ-CG 4.49Å; L167-V169 PolarHBondContact O-N 3.04Å
168E76.2Confident71.6Confident169 Ų169111.6 Ų111.679%0.7954%0.538SS*.  trans-62.8130158-65.9-178.9168.100106.7L166 E170L166-E168 PolarHBondContact O-N 2.82Å; E168-E170 VanDerWaalsContact C-N 3.32Å; E168-E170 PolarHBondContact O-N 2.94Å; E168-E170 VanDerWaalsContact O-N 3.08Å
169V65.2Low69.3Low114 Ų114110.2 Ų110.269%0.69154%0.535SS*.  trans-68.2107158.5178.40000103.3L167 E171L167-V169 PolarHBondContact O-N 3.04Å; V169-E171 HydrophobicContact CG1-CG 4.23Å; V169-E171 PolarHBondContact O-N 2.82Å
170E56Low67.7Low165 Ų165113.4 Ų113.477%0.77156%0.558SS**  trans-61.190.7155.8-78.5-167.2170.300105.6E168 H172E168-E170 VanDerWaalsContact C-N 3.32Å; E168-E170 PolarHBondContact O-N 2.94Å; E168-E170 VanDerWaalsContact O-N 3.08Å; E170-H172 PolarHBondContact O-N 2.98Å
171E47.9Very low66Low161 Ų161112.4 Ų112.475%0.75257%0.565SS**  trans-57.292.9151.9-72.7-172.6165.200105.1V169 R173V169-E171 HydrophobicContact CG1-CG 4.23Å; V169-E171 PolarHBondContact O-N 2.82Å; E171-R173 PolarHBondContact O-N 3.03Å
172H42.9Very low63.5Low161 Ų161118.4 Ų118.475%0.74560%0.604SS**  trans-47.382.2130.1-86.1-94.6000107.6E170 E174E170-H172 PolarHBondContact O-N 2.98Å; H172-E174 PolarHBondContact O-N 3.42Å
173R45Very low61.4Low221 Ų221125.1 Ų125.183%0.83463%0.626SS**  -28.387.1104.4-73.9179.6164.2-180-6108.6E171 K175E171-R173 PolarHBondContact O-N 3.03Å; R173-K175 PolarHBondContact O-N 3.16Å
174E43.8Very low58.8Low168 Ų168130.7 Ų130.779%0.78566%0.662SS**  -36126.9129.9-66.6-168.5121.800106.2H172 E176H172-E174 PolarHBondContact O-N 3.42Å; E174-E176 VanDerWaalsContact C-N 3.27Å; E174-E176 PolarHBondContact O-N 3.03Å
175K41.5Very low56.1Low200 Ų200138.2 Ų138.287%0.8770%0.701SS**  trans-60.5105.6169.2-75.7177.3177174.60105R173 Q177R173-K175 PolarHBondContact O-N 3.16Å; K175-Q177 PolarHBondContact O-N 3.11Å
176E44.5Very low54Low177 Ų177144.7 Ų144.783%0.82773%0.734SS**  trans-52.996.3156.6-78-169.2108.200105.3E174 P178E174-E176 VanDerWaalsContact C-N 3.27Å; E174-E176 PolarHBondContact O-N 3.03Å; E176-P178 WeakPolarHBondContact O-CD 3.49Å; E176-P178 VanDerWaalsContact O-N 3.11Å
177Q46.5Very low51.8Low175 Ų175146.7 Ų146.782%0.81875%0.751SS**  trans-57.9116.6166.4-176.617821.900104K175 S179K175-Q177 PolarHBondContact O-N 3.11Å; Q177-S179 PolarHBondContact O-N 3.33Å
178P44.5Very low49.6Very low117 Ų117153 Ų15376%0.7678%0.779SS**  trans-56.9113.2-161.718.9-32.2000109.2E176E176-P178 WeakPolarHBondContact O-CD 3.49Å; E176-P178 VanDerWaalsContact O-N 3.11Å
179S43.1Very low48.6Very low96 Ų96151.8 Ų151.867%0.67178%0.777SS**PPolyproline II helixtrans-63132.6-176.747.40000108.3Q177Q177-S179 PolarHBondContact O-N 3.33Å
180P59.6Low47.7Very low114 Ų114150.3 Ų150.374%0.7477%0.772SS**PPolyproline II helixtrans-60.3144179.225.4-33.5000109.2
181P59.6Low47.4Very low111 Ų111148 Ų14872%0.72177%0.77SS**PPolyproline II helixtrans-57.3146.7-166.421.4-33.8000112.5R183P181-R183 PolarHBondContact O-N 3.25Å; P181-R183 VanDerWaalsContact O-N 3.1Å
182P45.4Very low47.3Very low127 Ų127147.7 Ų147.783%0.82577%0.773SS**PPolyproline II helixtrans-59.9117.3-172.723.9-34.1000110.8
183R52.5Low47.4Very low227 Ų227150 Ų15086%0.85778%0.781SS**PPolyproline II helixtrans-66.7133.3172.2-64.3-179.1-177.8172.20.8108.7P181 L185P181-R183 PolarHBondContact O-N 3.25Å; P181-R183 VanDerWaalsContact O-N 3.1Å; R183-L185 PolarHBondContact O-N 3.18Å
184P44.7Very low47.6Very low118 Ų118146 Ų14677%0.76678%0.775SS**PPolyproline II helixtrans-63.4129.6176.926-33.5000110.3L186P184-L186 PolarHBondContact O-N 3.29Å
185L39.5Very low47.8Very low174 Ų174143.1 Ų143.191%0.91177%0.773SS**  trans-75.889.6177.5-68.4176.2000110.5R183R183-L185 PolarHBondContact O-N 3.18Å
186L51.9Low48.5Very low149 Ų149140.5 Ų140.578%0.7877%0.767SS**  trans-71.3132.7161.7-84165.4000109.6P184 H188P184-L186 PolarHBondContact O-N 3.29Å; L186-H188 VanDerWaalsContact C-N 3.26Å; L186-H188 PolarHBondContact O-N 2.75Å
187P47.4Very low48.4Very low110 Ų110136.9 Ų136.971%0.71476%0.759SS**  trans-78.571.9-179.833.2-35.8000111I189P187-I189 PolarHBondContact O-N 2.85Å
188H43.9Very low49Very low159 Ų159133.5 Ų133.574%0.73675%0.751SS**  trans-75.974.1173.6-169.2-70000110.9L186 S190L186-H188 VanDerWaalsContact C-N 3.26Å; L186-H188 PolarHBondContact O-N 2.75Å; H188-S190 PolarHBondContact O-N 3.12Å; H188-S190 VanDerWaalsContact O-N 3.14Å
189I54.8Low49.5Very low144 Ų144132.3 Ų132.374%0.73875%0.751SS**  trans-69.6105.2170.3-53.3170.8000107.6P187 P191P187-I189 PolarHBondContact O-N 2.85Å; I189-P191 WeakPolarHBondContact O-CD 3.48Å
190S47.4Very low50Low83 Ų83136.4 Ų136.458%0.5876%0.759SS**PPolyproline II helixtrans-61.8118.7171.4-59.50000109.3H188 L192H188-S190 PolarHBondContact O-N 3.12Å; H188-S190 VanDerWaalsContact O-N 3.14Å; S190-L192 PolarHBondContact O-N 3.29Å
191P48.2Very low49.5Very low115 Ų115138.4 Ų138.475%0.74776%0.759SS**PPolyproline II helixtrans-66.2126.6-177.125.6-33.3000110.4I189 K193I189-P191 WeakPolarHBondContact O-CD 3.48Å; P191-K193 PolarHBondContact O-N 3.38Å
192L46.5Very low49Very low155 Ų155139.3 Ų139.381%0.81275%0.753SS**PPolyproline II helixtrans-63122.8175.2-67.9173.2000109.4S190 I194S190-L192 PolarHBondContact O-N 3.29Å; L192-I194 VanDerWaalsContact C-N 3.27Å; L192-I194 PolarHBondContact O-N 3.42Å
193K44.9Very low49.3Very low209 Ų209141.2 Ų141.291%0.90975%0.751SS**  trans-76.877.3-179.8-167.6177.9-176.9179.70110.3P191 S195P191-K193 PolarHBondContact O-N 3.38Å; K193-S195 PolarHBondContact O-N 3.37Å; K193-S195 VanDerWaalsContact O-N 3.08Å
194I49.5Very low49.3Very low139 Ų139139 Ų13971%0.71375%0.75SS**  trans-66105.8177.2-60.5162.3000109L192 I196L192-I194 VanDerWaalsContact C-N 3.27Å; L192-I194 PolarHBondContact O-N 3.42Å; I194-I196 HydrophobicContact CG2-CG1 3.9Å; I194-I196 PolarHBondContact O-N 3.18Å
195S47.7Very low49.3Very low107 Ų107140.6 Ų140.675%0.74875%0.747SS**  trans-7796166.653.30000109.3K193 P197K193-S195 PolarHBondContact O-N 3.37Å; K193-S195 VanDerWaalsContact O-N 3.08Å; S195-P197 VanDerWaalsContact O-CD 3.32Å; S195-P197 WeakPolarHBondContact O-CD 3.25Å
196I56.9Low50Low145 Ų145137.6 Ų137.674%0.74473%0.731SS**PPolyproline II helixtrans-73.5118.7174.3-56175.3000108.4I194I194-I196 HydrophobicContact CG2-CG1 3.9Å; I194-I196 PolarHBondContact O-N 3.18Å
197P42.1Very low50.1Low100 Ų100141.4 Ų141.465%0.64974%0.735SS**PPolyproline II helixtrans-69.8134.6171.6-15.431.5000110S195S195-P197 VanDerWaalsContact O-CD 3.32Å; S195-P197 WeakPolarHBondContact O-CD 3.25Å
198T58.2Low50.2Low105 Ų105138.7 Ų138.764%0.64472%0.722SS**PPolyproline II helixtrans-65.8144.1179.8-30.50000110.8Q200 Q201T198-Q200 PolarHBondContact O-N 2.83Å; T198-Q201 PolarHBondContact O-N 3.46Å
199A55.2Low50.3Low92 Ų92141.1 Ų141.176%0.7673%0.731SS**THydrogen-bonded Turntrans-61.5-0.8-172.200000116.4
200Q54.6Low49.5Very low181 Ų181137.7 Ų137.785%0.84673%0.73SS**THydrogen-bonded Turntrans-90.5-6.9177.5-69.5177.5-36.300114.2T198T198-Q200 PolarHBondContact O-N 2.83Å
201Q49.3Very low49.1Very low156 Ų156139.1 Ų139.173%0.72974%0.74SS**SBendtrans-100.53.1174.5-64.5-168.9-59.500113.7T198T198-Q201 PolarHBondContact O-N 3.46Å
202H48.1Very low49Very low130 Ų130139.4 Ų139.460%0.60274%0.742SS**SBendtrans-83.5-30-175.2-16424.8000113.2I206H202-I206 WeakPolarHBondContact O-CD1 3.17Å; H202-I206 WeakPolarHBondContact O-CG1 3.29Å
203E52.3Low48.8Very low168 Ų168139.9 Ų139.979%0.78575%0.745SS**THydrogen-bonded Turntrans-79.6-27.7-164.1-160.2158.8-148.100114.3
204E53Low49.1Very low180 Ų180135.6 Ų135.684%0.84174%0.738SS**THydrogen-bonded Turntrans-76.6-33.9175.1-64.6-165.1130.900112.9
205H45Very low48.7Very low152 Ų152134.2 Ų134.270%0.70474%0.741SS**G310 helixtrans-81.1-19.5-171.1-149.2-179.5000113.6R207 A208H205-R207 PolarHBondContact O-N 3.08Å; H205-A208 PolarHBondContact O-N 3.35Å
206I52.6Low48.9Very low110 Ų110134.8 Ų134.856%0.56474%0.742SS**G310 helixtrans-65.1-21.3-179-72.5165.2000113H202 A208H202-I206 WeakPolarHBondContact O-CD1 3.17Å; H202-I206 WeakPolarHBondContact O-CG1 3.29Å; I206-A208 PolarHBondContact O-N 3.5Å
207R54.6Low48.1Very low230 Ų230134.7 Ų134.787%0.86875%0.749SS**G310 helixtrans-85.72.4-177.6-68.2-163-73.1172.1-4.8115.2H205H205-R207 PolarHBondContact O-N 3.08Å
208A50.1Low47.9Very low53 Ų53133.4 Ų133.444%0.43875%0.753SS.*SBendtrans-114.270.7-17600000113.3H205 I206H205-A208 PolarHBondContact O-N 3.35Å; I206-A208 PolarHBondContact O-N 3.5Å
209F45.2Very low47.1Very low210 Ų210135 Ų13592%0.92176%0.763SS**  trans65.4139.1173-43-84.7000114.5
210G38.8Very low46.2Very low71 Ų71138.4 Ų138.473%0.73277%0.767SS**  cis144.687.315.100000107.3
211S37.6Very low45.5Very low113 Ų113134.5 Ų134.579%0.7976%0.759SS**  trans-59.7143.4-162.554.70000116.7
212P46.5Very low45Very low122 Ų122132.9 Ų132.979%0.79276%0.76SS**  trans-101.3136.2159.235.6-29.4000113.5
213L43.7Very low44.9Very low165 Ų165132 Ų13286%0.86477%0.765SS**  trans-152.6158.5165-78.2178.8000107.7
214P51Low44.3Very low118 Ų118131.1 Ų131.177%0.76677%0.766SS**  cis-126.3-170-23.838-21.2000112
215S41.4Very low43.5Very low110 Ų110128.2 Ų128.277%0.76977%0.766SS**  trans-68.6166.4171.8-450000113.3
216P51.3Low43.1Very low119 Ų119126.5 Ų126.577%0.77377%0.77SS**  -149.1158.2105.839-23.8000117.7
217T40.2Very low43.1Very low144 Ų144127.5 Ų127.588%0.88378%0.783SS**  trans15128140-47.80000120.5
218G37Very low42.2Very low72 Ų72121 Ų12174%0.74278%0.779SS**  trans-169.7120.1163.800000115.5
219T40.9Very low41.3Very low139 Ų139124 Ų12485%0.85380%0.797SS**  trans-65.7134.7175.6-50.50000112.8
220I37.4Very low41.4Very low163 Ų163120.2 Ų120.284%0.83679%0.793SS**  trans-131124.6161.4-64.6-175.1000110.6
221S38.9Very low41.4Very low99 Ų99128.9 Ų128.969%0.69280%0.804SS**PPolyproline II helixtrans-100.1164175.553.40000112.5
222V39.6Very low41.2Very low123 Ų123127.1 Ų127.175%0.74580%0.803SS**PPolyproline II helixtrans-51.9127.7-176.4-174.10000113.9
223P46.3Very low40.7Very low110 Ų110126.5 Ų126.571%0.71481%0.809SS**PPolyproline II helixtrans-76.4132.6163.3-14.730.7000111.8
224N38.9Very low40.1Very low151 Ų151122.6 Ų122.681%0.80781%0.808SS**PPolyproline II helixtrans-79.1128.4177.9-70.2-63.2000112.3C226N224-C226 PolarHBondContact O-N 3.31Å
225S36.3Very low39.5Very low119 Ų119122.8 Ų122.883%0.83281%0.812SS**  trans-89.399.2175.4-69.20000112.1
226C37.4Very low39.2Very low115 Ų115123.4 Ų123.478%0.77782%0.817SS**  trans-121.4103.1172.8-64.30000111.3N224 A228N224-C226 PolarHBondContact O-N 3.31Å; C226-A228 PolarHBondContact O-N 3.34Å
227P52.3Low38.5Very low131 Ų131120.8 Ų120.885%0.85181%0.811SS**  trans-80.698.9175.531-32.1000111.1
228A35.1Very low38.3Very low95 Ų95125.3 Ų125.379%0.78581%0.814SS**PPolyproline II helixtrans-74.7148.4166.600000111.3C226C226-A228 PolarHBondContact O-N 3.34Å
229S31.7Very low38.4Very low116 Ų116133.5 Ų133.581%0.81182%0.822SS**PPolyproline II helixtrans-71.8136.4-174.4-51.10000113.5R231S229-R231 PolarHBondContact O-N 3.16Å
230P48.1Very low38.1Very low129 Ų129138 Ų13884%0.83883%0.826SS**PPolyproline II helixtrans-76.2120.4167.130.6-32.1000110.6
231R37.6Very low38.4Very low253 Ų253133.3 Ų133.396%0.95582%0.817SS**  trans-103108.5164.3-160.3172.1-172.6157.8-0.7106.5S229S229-R231 PolarHBondContact O-N 3.16Å
232G33.9Very low38.6Very low76 Ų76139.8 Ų139.878%0.78483%0.826SS**  trans-87.3162.7-153.900000117.4
233A36.6Very low39.2Very low110 Ų110140.1 Ų140.191%0.90982%0.824SS**  trans-155.4160.8158.300000107.8
234G31Very low39.7Very low82 Ų82140.2 Ų140.285%0.84582%0.823SS**  trans116.7114.3175.900000113.6
235S37.6Very low40.6Very low123 Ų123137.8 Ų137.886%0.8681%0.813SS**  trans-91.4170.6-177.5-169.30000112.4
236S35.8Very low41.8Very low123 Ų123135.8 Ų135.886%0.8680%0.799SS**  trans74.7130.9170.7-152.10000116.7
237G34.9Very low42.7Very low64 Ų64136 Ų13666%0.6679%0.793SS**  cis166.5127.4-8.900000113.6
238Y36.1Very low43.3Very low238 Ų238135.7 Ų135.793%0.93378%0.783SS**  trans-143.9122.4161.2-125.4-94.4000108.7
239R39.1Very low45.2Very low244 Ų244137.8 Ų137.892%0.92178%0.777SS**  trans-109.5127.4177-71.8-160.1-77.2-155.6-2.1109.9
240Y36.3Very low47.2Very low235 Ų235136.6 Ų136.692%0.92276%0.761SS**  trans-126.9133.1149-144.7-96.7000108.3
241G42.1Very low48.3Very low64 Ų64133.2 Ų133.266%0.6674%0.744SS**  trans-85138.6-161.800000114.6
242R42.9Very low50Low234 Ų234124.1 Ų124.188%0.88372%0.723SS**  trans-134137.5149.2-86.6-169.4169.1-167.9-3.4109.2V244R242-V244 PolarHBondContact O-N 3.42Å; R242-V244 VanDerWaalsContact O-N 3.14Å
243N54.1Low51.9Low130 Ų130127.1 Ų127.170%0.69572%0.716SS**  trans-82.991.9-174-65-22.5000110.3T245 S246N243-T245 PolarHBondContact O-N 2.69Å; N243-T245 VanDerWaalsContact O-N 3.14Å; N243-S246 PolarHBondContact O-OG 3.09Å
244V56.5Low53.9Low113 Ų113129.9 Ų129.969%0.68570%0.704SS**Hα-helixtrans-62.6-19.2-178.8-177.90000112.7R242 L248R242-V244 PolarHBondContact O-N 3.42Å; R242-V244 VanDerWaalsContact O-N 3.14Å; V244-L248 WeakPolarHBondContact O-CB 3.14Å; V244-L248 PolarHBondContact O-N 3.06Å
245T57.2Low55.8Low99 Ų99128.8 Ų128.861%0.60769%0.687SS**Hα-helixtrans-65.8-49.5-179.545.50000113.4N243 D247 L248 Q249N243-T245 PolarHBondContact O-N 2.69Å; N243-T245 VanDerWaalsContact O-N 3.14Å; T245-D247 PolarHBondContact O-N 3.06Å; T245-L248 PolarHBondContact O-N 2.94Å; T245-Q249 PolarHBondContact O-N 3.22Å; T245-Q249 PolarHBondContact O-OE1 2.9Å
246S60.8Low57.4Low77 Ų77125.9 Ų125.954%0.53867%0.671SS.*Hα-helixtrans-66.8-37.2-175.455.10000112.9N243 Q249 L250N243-S246 PolarHBondContact O-OG 3.09Å; S246-Q249 PolarHBondContact O-N 2.81Å; S246-L250 WeakPolarHBondContact O-CB 2.96Å; S246-L250 PolarHBondContact O-N 2.98Å
247D56.6Low59.2Low121 Ų121125.7 Ų125.765%0.64765%0.654SS**Hα-helixtrans-67.3-39.9179.7-136.34.8000110.9T245 A251T245-D247 PolarHBondContact O-N 3.06Å; D247-A251 WeakPolarHBondContact O-CB 3.37Å; D247-A251 PolarHBondContact O-N 2.95Å
248L66Low61Low124 Ų124125.1 Ų125.165%0.64964%0.644SS**Hα-helixtrans-69.5-38.2174.9-174.262.6000112.4V244 T245 A252V244-L248 WeakPolarHBondContact O-CB 3.14Å; V244-L248 PolarHBondContact O-N 3.06Å; T245-L248 PolarHBondContact O-N 2.94Å; L248-A252 WeakPolarHBondContact O-CB 3.49Å; L248-A252 PolarHBondContact O-N 3.18Å; L248-A252 VanDerWaalsContact O-N 3.1Å
249Q73.4Confident62.6Low139 Ų139118.6 Ų118.665%0.6563%0.629SS**Hα-helixtrans-60.6-48.8173.8-133.896.7-1.600110.8T245 S246 A251 A252 E253T245-Q249 PolarHBondContact O-N 3.22Å; T245-Q249 PolarHBondContact O-OE1 2.9Å; S246-Q249 PolarHBondContact O-N 2.81Å; Q249-A251 PolarHBondContact O-N 3.04Å; Q249-A252 PolarHBondContact O-N 3.28Å; Q249-E253 PolarHBondContact O-N 3.25Å
250L74.4Confident64.2Low90 Ų90109.6 Ų109.647%0.47160%0.603SS.*Hα-helixtrans-63.1-42.4-179.1-174.763.6000111.9S246 A252 E253 Y254S246-L250 WeakPolarHBondContact O-CB 2.96Å; S246-L250 PolarHBondContact O-N 2.98Å; L250-A252 VanDerWaalsContact C-N 3.33Å; L250-A252 PolarHBondContact O-N 2.99Å; L250-E253 PolarHBondContact O-N 3.13Å; L250-Y254 HydrophobicContact CD1-CD2 4Å; L250-Y254 HydrophobicContact CD1-CE2 3.93Å; L250-Y254 HydrophobicContact CG-CD2 4.19Å; L250-Y254 HydrophobicContact CG-CE2 4.32Å; L250-Y254 PolarHBondContact O-N 3.49Å
251A71.3Confident65.6Low59 Ų59102.6 Ų102.649%0.48858%0.579SS.*Hα-helixtrans-62.3-38.617500000112.6D247 Q249 A255D247-A251 WeakPolarHBondContact O-CB 3.37Å; D247-A251 PolarHBondContact O-N 2.95Å; Q249-A251 PolarHBondContact O-N 3.04Å; A251-A255 PolarHBondContact O-N 2.66Å
252A72.4Confident66.4Low62 Ų62106.1 Ų106.151%0.51258%0.578SS.*Hα-helixtrans-68.4-39.217600000112.3L248 Q249 L250 A255 A256L248-A252 WeakPolarHBondContact O-CB 3.49Å; L248-A252 PolarHBondContact O-N 3.18Å; L248-A252 VanDerWaalsContact O-N 3.1Å; Q249-A252 PolarHBondContact O-N 3.28Å; L250-A252 VanDerWaalsContact C-N 3.33Å; L250-A252 PolarHBondContact O-N 2.99Å; A252-A255 PolarHBondContact O-N 2.89Å; A252-A256 PolarHBondContact O-N 2.84Å
253E74.8Confident67.2Low138 Ų138104.5 Ų104.565%0.64557%0.572SS**Hα-helixtrans-69.6-40.8179.3-171.3164.2-161.500112.5Q249 L250 A255 A256 K257Q249-E253 PolarHBondContact O-N 3.25Å; L250-E253 PolarHBondContact O-N 3.13Å; E253-A255 VanDerWaalsContact C-N 3.32Å; E253-A255 PolarHBondContact O-N 2.85Å; E253-A256 PolarHBondContact O-N 3.09Å; E253-K257 WeakPolarHBondContact O-CB 3.42Å; E253-K257 PolarHBondContact O-N 3.47Å
254Y77.5Confident67.4Low169 Ų169105.1 Ų105.166%0.66356%0.564SS**Hα-helixtrans-59.6-41.3170.8-97.3-88.6000112.4L250 K257 A258L250-Y254 HydrophobicContact CD1-CD2 4Å; L250-Y254 HydrophobicContact CD1-CE2 3.93Å; L250-Y254 HydrophobicContact CG-CD2 4.19Å; L250-Y254 HydrophobicContact CG-CE2 4.32Å; L250-Y254 PolarHBondContact O-N 3.49Å; Y254-K257 PolarHBondContact O-N 3.22Å; Y254-A258 PolarHBondContact O-N 3.3Å; Y254-A258 VanDerWaalsContact O-N 3.11Å
255A71.1Confident67.4Low58 Ų58103 Ų10348%0.47956%0.555SS.*Hα-helixtrans-65.5-41.4176.100000112.3A251 A252 E253 V259A251-A255 PolarHBondContact O-N 2.66Å; A252-A255 PolarHBondContact O-N 2.89Å; E253-A255 VanDerWaalsContact C-N 3.32Å; E253-A255 PolarHBondContact O-N 2.85Å; A255-V259 WeakPolarHBondContact O-CG2 3.41Å; A255-V259 PolarHBondContact O-N 2.99Å
256A72.6Confident67.3Low63 Ų63104.6 Ų104.652%0.52156%0.559SS.*Hα-helixtrans-63.2-43.417500000112.1A252 E253 V259 S260A252-A256 PolarHBondContact O-N 2.84Å; E253-A256 PolarHBondContact O-N 3.09Å; A256-V259 PolarHBondContact O-N 2.92Å; A256-S260 PolarHBondContact O-N 3.08Å
257K74.1Confident66.7Low118 Ų118104 Ų10451%0.51356%0.558SS.*Hα-helixtrans-60.3-48.6178.2-175.5171.6174.2177.30111.8E253 Y254 V259 S260 E261E253-K257 WeakPolarHBondContact O-CB 3.42Å; E253-K257 PolarHBondContact O-N 3.47Å; Y254-K257 PolarHBondContact O-N 3.22Å; K257-V259 VanDerWaalsContact C-N 3.31Å; K257-V259 PolarHBondContact O-N 3.27Å; K257-S260 WeakPolarHBondContact O-CB 3.42Å; K257-S260 PolarHBondContact O-N 3.43Å; K257-S260 PolarHBondContact O-OG 3.07Å; K257-E261 WeakPolarHBondContact CE-OE1 3.36Å; K257-E261 IonicContact NZ-OE1 2.64Å; K257-E261 PolarHBondContact O-N 2.9Å
258A70.8Confident66.2Low53 Ų53105 Ų10544%0.43856%0.559SS.*Hα-helixtrans-57-42.4178.200000112.8Y254 S260 E261 Q262Y254-A258 PolarHBondContact O-N 3.3Å; Y254-A258 VanDerWaalsContact O-N 3.11Å; A258-S260 VanDerWaalsContact C-N 3.33Å; A258-S260 PolarHBondContact O-N 3.31Å; A258-E261 PolarHBondContact O-N 2.63Å; A258-Q262 PolarHBondContact O-N 3.12Å; A258-Q262 VanDerWaalsContact O-N 3.12Å
259V71.4Confident65.4Low101 Ų101107.8 Ų107.861%0.61257%0.568SS**Hα-helixtrans-65.5-36.2175.8173.80000111.6A255 A256 K257 R263A255-V259 WeakPolarHBondContact O-CG2 3.41Å; A255-V259 PolarHBondContact O-N 2.99Å; A256-V259 PolarHBondContact O-N 2.92Å; K257-V259 VanDerWaalsContact C-N 3.31Å; K257-V259 PolarHBondContact O-N 3.27Å; V259-R263 WeakPolarHBondContact O-CB 3.36Å; V259-R263 PolarHBondContact O-N 3.31Å; V259-R263 VanDerWaalsContact O-N 3.15Å
260S71.8Confident64Low54 Ų54112.3 Ų112.338%0.37858%0.579SS.*Hα-helixtrans-69-39177.277.30000113.4A256 K257 A258 R263 R264A256-S260 PolarHBondContact O-N 3.08Å; K257-S260 WeakPolarHBondContact O-CB 3.42Å; K257-S260 PolarHBondContact O-N 3.43Å; K257-S260 PolarHBondContact O-OG 3.07Å; A258-S260 VanDerWaalsContact C-N 3.33Å; A258-S260 PolarHBondContact O-N 3.31Å; S260-R263 CarbonylContact O-C 3.59Å; S260-R263 PolarHBondContact O-N 2.8Å; S260-R263 VanDerWaalsContact O-N 3.16Å; S260-R264 PolarHBondContact O-N 3.39Å
261E66Low62.1Low89 Ų89111.7 Ų111.742%0.41660%0.595SS.*Hα-helixtrans-69.5-42.1179.2-73174.9172.400110.7K257 A258 R263 R264 S265K257-E261 WeakPolarHBondContact CE-OE1 3.36Å; K257-E261 IonicContact NZ-OE1 2.64Å; K257-E261 PolarHBondContact O-N 2.9Å; A258-E261 PolarHBondContact O-N 2.63Å; E261-R263 PolarHBondContact O-N 2.75Å; E261-R264 PolarHBondContact O-N 3.31Å; E261-R264 VanDerWaalsContact O-N 3.11Å; E261-S265 PolarHBondContact O-N 3.11Å; E261-S265 VanDerWaalsContact O-N 3.1Å; E261-S265 PolarHBondContact O-OG 2.8Å
262Q57.8Low60.2Low138 Ų138112.9 Ų112.965%0.64561%0.613SS**Hα-helixtrans-65.8-19.4172.4-170.6169.7-9.400113.1A258 S265 L266A258-Q262 PolarHBondContact O-N 3.12Å; A258-Q262 VanDerWaalsContact O-N 3.12Å; Q262-S265 PolarHBondContact O-OG 2.81Å; Q262-L266 WeakPolarHBondContact O-CD1 3.15Å; Q262-L266 WeakPolarHBondContact O-CG 3.34Å
263R60.8Low58.4Low199 Ų199113.7 Ų113.775%0.75163%0.627SS**Hα-helixtrans-87.9-24.8172.8-153.9174.5-171.2-172.71.4112.9V259 S260 E261V259-R263 WeakPolarHBondContact O-CB 3.36Å; V259-R263 PolarHBondContact O-N 3.31Å; V259-R263 VanDerWaalsContact O-N 3.15Å; S260-R263 CarbonylContact O-C 3.59Å; S260-R263 PolarHBondContact O-N 2.8Å; S260-R263 VanDerWaalsContact O-N 3.16Å; E261-R263 PolarHBondContact O-N 2.75Å
264R57.4Low56.4Low143 Ų143112 Ų11254%0.5463%0.631SS.*Hα-helixtrans-73-46.7174.2-171.8-178.5-64.9136.42111.5S260 E261 L266 A267 E268S260-R264 PolarHBondContact O-N 3.39Å; E261-R264 PolarHBondContact O-N 3.31Å; E261-R264 VanDerWaalsContact O-N 3.11Å; R264-L266 PolarHBondContact O-N 2.97Å; R264-A267 WeakPolarHBondContact O-CA 3.28Å; R264-A267 WeakPolarHBondContact O-CB 3.38Å; R264-A267 PolarHBondContact O-N 2.81Å; R264-E268 PolarHBondContact O-N 3.29Å
265S56.9Low54.2Low69 Ų69112.4 Ų112.448%0.48364%0.639SS.*THydrogen-bonded Turntrans-63-25.9177.657.30000113.7E261 Q262E261-S265 PolarHBondContact O-N 3.11Å; E261-S265 VanDerWaalsContact O-N 3.1Å; E261-S265 PolarHBondContact O-OG 2.8Å; Q262-S265 PolarHBondContact O-OG 2.81Å
266L54.5Low52.4Low133 Ų133119.4 Ų119.470%0.69666%0.661SS**THydrogen-bonded Turntrans-79.6-11.8171.2-72173.4000114.3Q262 R264Q262-L266 WeakPolarHBondContact O-CD1 3.15Å; Q262-L266 WeakPolarHBondContact O-CG 3.34Å; R264-L266 PolarHBondContact O-N 2.97Å
267A48.8Very low51Low63 Ų63126.2 Ų126.252%0.52167%0.674SS.*THydrogen-bonded Turntrans-95.6-37.6179.300000112.5R264 H269 R270R264-A267 WeakPolarHBondContact O-CA 3.28Å; R264-A267 WeakPolarHBondContact O-CB 3.38Å; R264-A267 PolarHBondContact O-N 2.81Å; A267-H269 PolarHBondContact O-N 3.38Å; A267-R270 PolarHBondContact O-N 3.15Å
268E47.2Very low49.3Very low143 Ų143127.5 Ų127.567%0.66869%0.691SS**THydrogen-bonded Turntrans-69-16.3-176.7-69.9170.6135.200113.7R264 R270R264-E268 PolarHBondContact O-N 3.29Å; E268-R270 VanDerWaalsContact C-N 3.35Å; E268-R270 PolarHBondContact O-N 2.94Å
269H48.1Very low47.7Very low182 Ų182132.2 Ų132.284%0.84370%0.704SS**THydrogen-bonded Turntrans-90.519.8175.1-93.549.2000114.5A267A267-H269 PolarHBondContact O-N 3.38Å
270R44.9Very low46.1Very low234 Ų234133.2 Ų133.288%0.88372%0.715SS**SBendtrans-132.734.5-175.4-146.8-175.8-175.4-147.8-1.9115.8A267 E268A267-R270 PolarHBondContact O-N 3.15Å; E268-R270 VanDerWaalsContact C-N 3.35Å; E268-R270 PolarHBondContact O-N 2.94Å
271G34.3Very low44.7Very low78 Ų78137.9 Ų137.980%0.80474%0.742SS**  trans-133.2110172.700000112.5
272G31.6Very low43.4Very low84 Ų84137.1 Ų137.187%0.86676%0.757SS**  trans153.8119.2175.800000113.2
273G33.8Very low42.3Very low78 Ų78134.1 Ų134.180%0.80476%0.764SS**  trans-93.5-176.6160.600000110.8
274S32.2Very low41.4Very low104 Ų104132 Ų13273%0.72777%0.767SS**  cis-158.3164.83.349.70000111.3
275E32.9Very low40.8Very low177 Ų177128.4 Ų128.483%0.82776%0.764SS**  trans50.6107.1157.2-65.4177127.600120.6
276Q33.4Very low40.4Very low204 Ų204131.8 Ų131.895%0.95378%0.784SS**  -157.7161.1107.5-109.9-1791600112.2
277R42.5Very low40.3Very low206 Ų206133.1 Ų133.178%0.77779%0.785SS**  trans-119.2113.9-168.1173.3-166.4170.7-164.8-3.2111.3E279R277-E279 IonicContact CZ-OE2 3.86Å; R277-E279 IonicContact NE-OE2 2.69Å; R277-E279 IonicContact NH2-OE2 3.06Å; R277-E279 PolarHBondContact NH2-OE2 3.27Å
278V39Very low40.7Very low145 Ų145135 Ų13588%0.87979%0.786SS**  trans-141.7138.5155.6-176.20000108.4
279E37Very low41.7Very low152 Ų152135.2 Ų135.271%0.7179%0.787SS**  trans-93.8125.6-177.6-68.5163.572.500111.1R277R277-E279 IonicContact CZ-OE2 3.86Å; R277-E279 IonicContact NE-OE2 2.69Å; R277-E279 IonicContact NH2-OE2 3.06Å; R277-E279 PolarHBondContact NH2-OE2 3.27Å
280S37.3Very low43.3Very low122 Ų122130.4 Ų130.485%0.85377%0.774SS**  trans-155.7128.3158.4-171.30000109.8
281V43.1Very low45.4Very low153 Ų153124.2 Ų124.293%0.92775%0.753SS**  trans-112.1117.5-170.4176.50000110.4
282G37.9Very low48.1Very low72 Ų72121.1 Ų121.174%0.74272%0.719SS**  trans165.242.8177.900000114.2D284G282-D284 PolarHBondContact O-N 2.82Å
283G34.4Very low51Low76 Ų76120.2 Ų120.278%0.78470%0.698SS**  trans-65.6114.7-170.200000114.1
284D43.1Very low53.9Low154 Ų154118.4 Ų118.482%0.82467%0.667SS**  trans-61.8152.2160.6-17422.6000110.2G282G282-D284 PolarHBondContact O-N 2.82Å
285S44.1Very low56.9Low68 Ų68115 Ų11548%0.47664%0.643SS.*  trans-152.7125-179-82.40000109.8K287S285-K287 PolarHBondContact O-N 3.22Å
286P48.5Very low59.9Low140 Ų140109 Ų10991%0.90961%0.613SS**THydrogen-bonded Turntrans-7660.4-17331.9-37.4000112.7
287K51.6Low62.9Low161 Ų16199.9 Ų99.970%0.757%0.573SS**THydrogen-bonded Turntrans-124.7-12.9179.1-69.1174.5-179.4164.60112.5S285 E289 S290S285-K287 PolarHBondContact O-N 3.22Å; K287-E289 VanDerWaalsContact C-N 3.32Å; K287-E289 PolarHBondContact O-N 3.31Å; K287-S290 VanDerWaalsContact O-CB 3.3Å; K287-S290 WeakPolarHBondContact O-CB 3.42Å; K287-S290 PolarHBondContact O-N 3.35Å; K287-S290 VanDerWaalsContact O-N 3.12Å; K287-S290 PolarHBondContact O-OG 2.86Å
288D57.8Low65.5Low101 Ų10191.4 Ų91.454%0.5454%0.542SS..THydrogen-bonded Turntrans-79.5-10.6-171.5-153.840.9000114.5P326D288-P326 WeakPolarHBondContact OD2-CD 3.45Å; D288-P326 VanDerWaalsContact OD2-CG 3.24Å; D288-P326 WeakPolarHBondContact OD2-CG 3.26Å
289E68.4Low68.3Low149 Ų14984.6 Ų84.670%0.69650%0.501SS*.THydrogen-bonded Turntrans-78.5-6166-63-150.2125.400113.3K287 Y327K287-E289 VanDerWaalsContact C-N 3.32Å; K287-E289 PolarHBondContact O-N 3.31Å; E289-Y327 VanDerWaalsContact O-CD2 3.28Å; E289-Y327 WeakPolarHBondContact O-CD2 3.29Å
290S81.9Confident71.2Confident81 Ų8177.3 Ų77.357%0.56647%0.467SS*.SBendtrans-74.9143.8177.870.50000111.9K287 P292K287-S290 VanDerWaalsContact O-CB 3.3Å; K287-S290 WeakPolarHBondContact O-CB 3.42Å; K287-S290 PolarHBondContact O-N 3.35Å; K287-S290 VanDerWaalsContact O-N 3.12Å; K287-S290 PolarHBondContact O-OG 2.86Å; S290-P292 WeakPolarHBondContact O-CD 3.48Å
291K89.1Confident74.1Confident103 Ų10371.7 Ų71.745%0.44843%0.427SS..PPolyproline II helixtrans-60.6122.4-179.4-178169.9-170.2157.40110.6Y296 Y327 Y328K291-Y296 PolarHBondContact NZ-OH 3.11Å; K291-Y296 VanDerWaalsContact NZ-OH 3.14Å; K291-Y327 HydrophobicContact CB-CD1 4.09Å; K291-Y327 HydrophobicContact CB-CD2 4.27Å; K291-Y327 HydrophobicContact CB-CE1 3.8Å; K291-Y327 HydrophobicContact CB-CE2 4Å; K291-Y327 HydrophobicContact CB-CG 4.31Å; K291-Y327 HydrophobicContact CD-CE1 3.8Å; K291-Y327 HydrophobicContact CG-CD1 4.01Å; K291-Y327 HydrophobicContact CG-CE1 3.56Å; K291-Y328 WeakPolarHBondContact CE-OH 3.39Å
292P90.7Very high76.7Confident14 Ų1464.9 Ų64.99%0.09139%0.385CS..PPolyproline II helixtrans-64.6145.5-173.724.7-35.4000112.3S290 Y294 Y325 Y328S290-P292 WeakPolarHBondContact O-CD 3.48Å; P292-Y294 HydrophobicContact CB-CD2 4.08Å; P292-Y294 PolarHBondContact O-N 3.37Å; P292-Y325 HydrophobicContact CB-CD1 3.58Å; P292-Y325 HydrophobicContact CB-CE1 3.75Å; P292-Y325 HydrophobicContact CB-CG 4.34Å; P292-Y325 HydrophobicContact CG-CD1 3.67Å; P292-Y325 HydrophobicContact CG-CE1 4.22Å; P292-Y325 HydrophobicContact CG-CG 3.93Å; P292-Y328 HydrophobicContact CG-CD2 4.46Å; P292-Y328 HydrophobicContact CG-CE2 3.66Å
293P91.9Very high79.5Confident65 Ų6561.5 Ų61.542%0.42235%0.35SS..SBendtrans-78.339.2-174.934.8-38.7000113.5K382 R383P293-K382 HydrophobicContact CB-CB 4.49Å; P293-K382 HydrophobicContact CG-CB 4.22Å; P293-K382 HydrophobicContact CG-CD 4.11Å; P293-K382 HydrophobicContact CG-CG 3.97Å; P293-R383 WeakPolarHBondContact O-CB 3.34Å; P293-R383 PolarHBondContact O-N 3.21Å
294Y94.2Very high82.5Confident39 Ų3957.9 Ų57.915%0.15331%0.313CS..  trans-121.2143.3179.5-54.9-56.6000110.4P292 L299 Y325 K382P292-Y294 HydrophobicContact CB-CD2 4.08Å; P292-Y294 PolarHBondContact O-N 3.37Å; Y294-L299 HydrophobicContact CD2-CD2 4.22Å; Y294-Y325 AromaticContact CD2-CE1 3.98Å; Y294-Y325 HydrophobicContact CD2-CE1 3.98Å; Y294-Y325 AromaticContact CD2-CZ 3.8Å; Y294-Y325 VanDerWaalsContact CD2-OH 3.29Å; Y294-Y325 WeakPolarHBondContact CD2-OH 3.47Å; Y294-Y325 AromaticContact CE2-CE1 3.91Å; Y294-Y325 HydrophobicContact CE2-CE1 3.91Å; Y294-Y325 AromaticContact CE2-CZ 3.88Å; Y294-Y325 WeakPolarHBondContact CE2-OH 3.41Å; Y294-K382 HydrophobicContact CE1-CB 4.37Å; Y294-K382 HydrophobicContact CE1-CG 3.74Å
295S95.6Very high85Confident33 Ų3351.6 Ų51.623%0.23128%0.281CS..  trans-75.6157.5172.2620000111.5A297 Q298 L299S295-A297 PolarHBondContact O-N 2.9Å; S295-Q298 WeakPolarHBondContact O-CB 3.48Å; S295-Q298 PolarHBondContact O-N 3.19Å; S295-Q298 WeakPolarHBondContact OG-CG 3.35Å; S295-Q298 PolarHBondContact OG-N 2.86Å; S295-Q298 PolarHBondContact OG-OE1 3.3Å; S295-L299 PolarHBondContact O-N 3.38Å
296Y97.1Very high87.5Confident51 Ų5151.7 Ų51.720%0.228%0.282CS..Hα-helixtrans-56.6-35.2177.9-63.8-58.1000113K291 L299 I300 Y328 W335 S338 I339K291-Y296 PolarHBondContact NZ-OH 3.11Å; K291-Y296 VanDerWaalsContact NZ-OH 3.14Å; Y296-L299 HydrophobicContact CD1-CD1 4.21Å; Y296-L299 PolarHBondContact O-N 2.87Å; Y296-I300 WeakPolarHBondContact O-CD1 3.44Å; Y296-I300 VanDerWaalsContact O-CG1 3.22Å; Y296-I300 WeakPolarHBondContact O-CG1 3.43Å; Y296-I300 PolarHBondContact O-N 2.79Å; Y296-Y328 HydrophobicContact CE1-CE1 4.07Å; Y296-W335 HydrophobicContact CE1-CB 4.23Å; Y296-S338 VanDerWaalsContact CD2-CB 3.41Å; Y296-I339 HydrophobicContact CD1-CD1 4.01Å; Y296-I339 HydrophobicContact CG-CD1 4.46Å
297A96.8Very high89.7Confident12 Ų1245.7 Ų45.710%0.09924%0.244CC..Hα-helixtrans-61.2-47171.800000112.5S295 L299 I300 V301 F349S295-A297 PolarHBondContact O-N 2.9Å; A297-L299 VanDerWaalsContact C-N 3.34Å; A297-L299 PolarHBondContact O-N 3.32Å; A297-I300 PolarHBondContact O-N 3.28Å; A297-V301 WeakPolarHBondContact O-CG2 3.48Å; A297-V301 PolarHBondContact O-N 2.84Å; A297-F349 HydrophobicContact CB-CE2 4.46Å
298Q96.9Very high91.7Very high29 Ų2944.4 Ų44.414%0.13625%0.252CS..Hα-helixtrans-61.9-40.6176.3-69.6168.1-71.800112S295 I300 V301 Q302 Q378 R381S295-Q298 WeakPolarHBondContact O-CB 3.48Å; S295-Q298 PolarHBondContact O-N 3.19Å; S295-Q298 WeakPolarHBondContact OG-CG 3.35Å; S295-Q298 PolarHBondContact OG-N 2.86Å; S295-Q298 PolarHBondContact OG-OE1 3.3Å; Q298-I300 VanDerWaalsContact C-N 3.33Å; Q298-I300 PolarHBondContact O-N 3.22Å; Q298-V301 PolarHBondContact O-N 3.08Å; Q298-Q302 VanDerWaalsContact O-CG 3.3Å; Q298-Q302 WeakPolarHBondContact O-CG 3.27Å; Q298-Q302 PolarHBondContact O-N 2.88Å; Q298-Q378 PolarHBondContact NE2-O 3.27Å; Q298-R381 PolarHBondContact NE2-O 2.66Å
299L97.3Very high93.4Very high1 Ų143.5 Ų43.51%0.00525%0.247CC..Hα-helixtrans-63.1-36.5175.9-66173.4000112.6Y294 S295 Y296 A297 A303 I321 Y325 Y328Y294-L299 HydrophobicContact CD2-CD2 4.22Å; S295-L299 PolarHBondContact O-N 3.38Å; Y296-L299 HydrophobicContact CD1-CD1 4.21Å; Y296-L299 PolarHBondContact O-N 2.87Å; A297-L299 VanDerWaalsContact C-N 3.34Å; A297-L299 PolarHBondContact O-N 3.32Å; L299-A303 WeakPolarHBondContact O-CB 3.38Å; L299-A303 PolarHBondContact O-N 3.25Å; L299-A303 VanDerWaalsContact O-N 3.11Å; L299-I321 HydrophobicContact CB-CD1 3.92Å; L299-I321 HydrophobicContact CB-CG1 4.24Å; L299-Y325 HydrophobicContact CD2-CD2 3.72Å; L299-Y325 HydrophobicContact CD2-CE2 3.31Å; L299-Y328 HydrophobicContact CD1-CE2 3.71Å
300I97.8Very high94.7Very high0 Ų040.7 Ų40.70%023%0.232CC..Hα-helixtrans-68.6-41.8174.1-65.9158.4000110.8Y296 A297 Q298 A303 I304 I317 I339 N342 L343 F349Y296-I300 WeakPolarHBondContact O-CD1 3.44Å; Y296-I300 VanDerWaalsContact O-CG1 3.22Å; Y296-I300 WeakPolarHBondContact O-CG1 3.43Å; Y296-I300 PolarHBondContact O-N 2.79Å; A297-I300 PolarHBondContact O-N 3.28Å; Q298-I300 VanDerWaalsContact C-N 3.33Å; Q298-I300 PolarHBondContact O-N 3.22Å; I300-A303 WeakPolarHBondContact O-CB 3.47Å; I300-A303 PolarHBondContact O-N 2.8Å; I300-I304 HydrophobicContact CG2-CD1 3.62Å; I300-I304 HydrophobicContact CG2-CG1 4.24Å; I300-I304 WeakPolarHBondContact O-CG1 3.32Å; I300-I304 PolarHBondContact O-N 2.91Å; I300-I317 HydrophobicContact CG1-CG2 4.17Å; I300-I317 HydrophobicContact CG2-CD1 4.39Å; I300-I339 HydrophobicContact CD1-CD1 4.09Å; I300-I339 HydrophobicContact CD1-CG2 4.21Å; I300-I339 HydrophobicContact CG1-CD1 3.82Å; I300-I339 HydrophobicContact CG1-CG2 4.2Å; I300-N342 HydrophobicContact CD1-CB 3.67Å; I300-L343 HydrophobicContact CD1-CD2 4.12Å; I300-L343 HydrophobicContact CD1-CG 4Å; I300-L343 HydrophobicContact CG2-CD2 3.67Å; I300-F349 HydrophobicContact CB-CE1 4.08Å; I300-F349 HydrophobicContact CB-CE2 4.18Å; I300-F349 HydrophobicContact CB-CZ 3.61Å; I300-F349 HydrophobicContact CD1-CE2 3.99Å; I300-F349 HydrophobicContact CD1-CZ 4.3Å; I300-F349 HydrophobicContact CG2-CD1 3.92Å; I300-F349 HydrophobicContact CG2-CD2 4.45Å; I300-F349 HydrophobicContact CG2-CE1 3.36Å; I300-F349 HydrophobicContact CG2-CE2 3.96Å; I300-F349 HydrophobicContact CG2-CG 4.44Å; I300-F349 HydrophobicContact CG2-CZ 3.37Å
301V97.7Very high95.3Very high4 Ų438.6 Ų38.62%0.02421%0.214CC..Hα-helixtrans-63-47.4176.9173.70000111.1A297 Q298 A303 I304 S305 F349 I367 L375 V376 A379A297-V301 WeakPolarHBondContact O-CG2 3.48Å; A297-V301 PolarHBondContact O-N 2.84Å; Q298-V301 PolarHBondContact O-N 3.08Å; V301-A303 VanDerWaalsContact C-N 3.26Å; V301-A303 PolarHBondContact O-N 2.83Å; V301-I304 PolarHBondContact O-N 3.43Å; V301-S305 WeakPolarHBondContact O-CB 3.37Å; V301-S305 PolarHBondContact O-N 2.9Å; V301-S305 PolarHBondContact O-OG 2.83Å; V301-F349 HydrophobicContact CG2-CE1 3.89Å; V301-F349 HydrophobicContact CG2-CZ 3.95Å; V301-I367 HydrophobicContact CB-CD1 4.36Å; V301-I367 HydrophobicContact CG1-CD1 3.95Å; V301-I367 HydrophobicContact CG2-CD1 4.31Å; V301-L375 HydrophobicContact CG1-CB 4.2Å; V301-L375 HydrophobicContact CG2-CB 4.13Å; V301-V376 HydrophobicContact CG1-CG2 4.18Å; V301-A379 HydrophobicContact CB-CB 4.07Å; V301-A379 HydrophobicContact CG1-CB 3.65Å
302Q97.3Very high95.7Very high10 Ų1035 Ų355%0.04720%0.199CC..Hα-helixtrans-53.8-44.5174-69.9170.48.600111.4Q298 S306 Y325 A379 F380Q298-Q302 VanDerWaalsContact O-CG 3.3Å; Q298-Q302 WeakPolarHBondContact O-CG 3.27Å; Q298-Q302 PolarHBondContact O-N 2.88Å; Q302-S306 VanDerWaalsContact O-CB 3.3Å; Q302-S306 WeakPolarHBondContact O-CB 3.49Å; Q302-S306 PolarHBondContact O-N 2.8Å; Q302-S306 PolarHBondContact O-OG 3.04Å; Q302-Y325 PolarHBondContact OE1-OH 2.9Å; Q302-A379 HydrophobicContact CG-CB 4Å; Q302-A379 PolarHBondContact NE2-O 3.4Å; Q302-F380 HydrophobicContact CG-CD1 4.41Å; Q302-F380 HydrophobicContact CG-CE1 3.95Å; Q302-F380 HydrophobicContact CG-CZ 4.09Å
303A97.8Very high96Very high0 Ų035.8 Ų35.80%020%0.204CC..Hα-helixtrans-61.9-59.7177.100000112.2L299 I300 V301 S305 S306 A307 L312 I317 H320L299-A303 WeakPolarHBondContact O-CB 3.38Å; L299-A303 PolarHBondContact O-N 3.25Å; L299-A303 VanDerWaalsContact O-N 3.11Å; I300-A303 WeakPolarHBondContact O-CB 3.47Å; I300-A303 PolarHBondContact O-N 2.8Å; V301-A303 VanDerWaalsContact C-N 3.26Å; V301-A303 PolarHBondContact O-N 2.83Å; A303-S305 PolarHBondContact O-N 2.94Å; A303-S306 PolarHBondContact O-N 3.34Å; A303-S306 PolarHBondContact O-OG 3.14Å; A303-A307 PolarHBondContact O-N 3.01Å; A303-L312 HydrophobicContact CB-CD1 4.03Å; A303-L312 WeakPolarHBondContact O-CD1 3.39Å; A303-I317 HydrophobicContact CB-CG2 4.44Å; A303-H320 HydrophobicContact CB-CB 3.9Å
304I97.4Very high96.2Very high1 Ų135 Ų351%0.00520%0.196CC..Hα-helixtrans-61.7-43.8-174.8-64.3173.1000111.4I300 V301 S306 A307 K310 L312 I317 F349 W365 I367I300-I304 HydrophobicContact CG2-CD1 3.62Å; I300-I304 HydrophobicContact CG2-CG1 4.24Å; I300-I304 WeakPolarHBondContact O-CG1 3.32Å; I300-I304 PolarHBondContact O-N 2.91Å; V301-I304 PolarHBondContact O-N 3.43Å; I304-S306 PolarHBondContact O-N 3.44Å; I304-A307 WeakPolarHBondContact O-CB 3.41Å; I304-A307 PolarHBondContact O-N 2.83Å; I304-A307 VanDerWaalsContact O-N 3.16Å; I304-K310 WeakPolarHBondContact CG2-O 3.43Å; I304-L312 HydrophobicContact CG1-CB 4.08Å; I304-I317 HydrophobicContact CD1-CD1 4.47Å; I304-I317 HydrophobicContact CG1-CD1 4.42Å; I304-F349 HydrophobicContact CD1-CD1 4.11Å; I304-F349 HydrophobicContact CD1-CE1 4.26Å; I304-W365 HydrophobicContact CD1-CB 4.16Å; I304-I367 HydrophobicContact CB-CD1 4.05Å; I304-I367 HydrophobicContact CB-CG1 4.23Å; I304-I367 HydrophobicContact CD1-CG1 4.27Å; I304-I367 HydrophobicContact CG2-CD1 3.97Å; I304-I367 HydrophobicContact CG2-CG1 3.94Å
305S96.1Very high96.3Very high22 Ų2237.3 Ų37.315%0.15422%0.217CC..Hα-helixtrans-73.2-13.4-178.7-63.20000114V301 A303 K310 I367 E372 V376V301-S305 WeakPolarHBondContact O-CB 3.37Å; V301-S305 PolarHBondContact O-N 2.9Å; V301-S305 PolarHBondContact O-OG 2.83Å; A303-S305 PolarHBondContact O-N 2.94Å; S305-K310 PolarHBondContact O-NZ 3.19Å; S305-I367 VanDerWaalsContact OG-CD1 3.26Å; S305-I367 WeakPolarHBondContact OG-CD1 3.45Å; S305-E372 PolarHBondContact OG-OE1 3.34Å; S305-V376 VanDerWaalsContact OG-CG2 3.23Å; S305-V376 WeakPolarHBondContact OG-CG2 2.89Å
306S95.7Very high96.3Very high70 Ų7036.6 Ų36.649%0.4922%0.216SC..Hα-helixtrans-84.9-14.417175.90000114.2Q302 A303 I304 H320Q302-S306 VanDerWaalsContact O-CB 3.3Å; Q302-S306 WeakPolarHBondContact O-CB 3.49Å; Q302-S306 PolarHBondContact O-N 2.8Å; Q302-S306 PolarHBondContact O-OG 3.04Å; A303-S306 PolarHBondContact O-N 3.34Å; A303-S306 PolarHBondContact O-OG 3.14Å; I304-S306 PolarHBondContact O-N 3.44Å; S306-H320 PolarHBondContact OG-CE1 3.03Å; S306-H320 PolarHBondContact OG-ND1 2.92Å
307A95.1Very high96.4Very high13 Ų1334.2 Ų34.211%0.10721%0.206CC..SBendtrans-76.8140.6175.100000110.3A303 I304 D309 K310 Q311 L312A303-A307 PolarHBondContact O-N 3.01Å; I304-A307 WeakPolarHBondContact O-CB 3.41Å; I304-A307 PolarHBondContact O-N 2.83Å; I304-A307 VanDerWaalsContact O-N 3.16Å; A307-D309 VanDerWaalsContact C-N 3.27Å; A307-D309 PolarHBondContact O-N 3.12Å; A307-K310 PolarHBondContact O-N 2.99Å; A307-K310 VanDerWaalsContact O-N 3.14Å; A307-Q311 VanDerWaalsContact CB-O 3.32Å; A307-Q311 WeakPolarHBondContact CB-O 3.2Å; A307-L312 HydrophobicContact CB-CD1 4.25Å; A307-L312 HydrophobicContact CB-CG 4.16Å
308P94Very high96.4Very high134 Ų13435.2 Ų35.287%0.8721%0.208SC*.THydrogen-bonded Turntrans-65.2-32.6-176.427.5-34.8000112.4K310P308-K310 VanDerWaalsContact C-N 3.34Å
309D93Very high96.4Very high82 Ų8236.5 Ų36.544%0.43922%0.223SC..THydrogen-bonded Turntrans-90.37.7178.661.2-23.7000113.4A307 Q311A307-D309 VanDerWaalsContact C-N 3.27Å; A307-D309 PolarHBondContact O-N 3.12Å; D309-Q311 HydrophobicContact CB-CG 4.08Å; D309-Q311 VanDerWaalsContact CG-CG 3.4Å; D309-Q311 PolarHBondContact O-N 2.78Å; D309-Q311 WeakPolarHBondContact OD2-CG 3.28Å; D309-Q311 PolarHBondContact OD2-NE2 2.9Å
310K95.2Very high96.4Very high91 Ų9137.7 Ų37.740%0.39623%0.229SC..SBendtrans52.624.4179.3-61.1-64.2-172.5165.90114.6I304 S305 A307 P308 E372I304-K310 WeakPolarHBondContact CG2-O 3.43Å; S305-K310 PolarHBondContact O-NZ 3.19Å; A307-K310 PolarHBondContact O-N 2.99Å; A307-K310 VanDerWaalsContact O-N 3.14Å; P308-K310 VanDerWaalsContact C-N 3.34Å; K310-E372 IonicContact NZ-OE1 3.89Å; K310-E372 PolarHBondContact NZ-OE1 3.05Å
311Q95.1Very high96.3Very high37 Ų3737.7 Ų37.717%0.17323%0.229CC..EExtended strand (participates in β ladder)trans-138.9157.1177.966.6-176.9-2.300109.7A307 D309 F364 W365 R366A307-Q311 VanDerWaalsContact CB-O 3.32Å; A307-Q311 WeakPolarHBondContact CB-O 3.2Å; D309-Q311 HydrophobicContact CB-CG 4.08Å; D309-Q311 VanDerWaalsContact CG-CG 3.4Å; D309-Q311 PolarHBondContact O-N 2.78Å; D309-Q311 WeakPolarHBondContact OD2-CG 3.28Å; D309-Q311 PolarHBondContact OD2-NE2 2.9Å; Q311-F364 HydrophobicContact CB-CB 4.43Å; Q311-F364 HydrophobicContact CB-CD1 4.32Å; Q311-F364 HydrophobicContact CG-CD1 3.79Å; Q311-F364 HydrophobicContact CG-CE1 4.25Å; Q311-F364 HydrophobicContact CG-CG 4.33Å; Q311-W365 CarbonylContact C-O 3.53Å; Q311-W365 VanDerWaalsContact CA-O 3.27Å; Q311-W365 WeakPolarHBondContact CA-O 3.45Å; Q311-R366 HydrophobicContact CB-CG 3.33Å
312L96.4Very high96.2Very high28 Ų2839.4 Ų39.415%0.14724%0.239CC..EExtended strand (participates in β ladder)trans-154.1139-178.6-123.4174.2000111.9A303 I304 A307 G316 I317 W365A303-L312 HydrophobicContact CB-CD1 4.03Å; A303-L312 WeakPolarHBondContact O-CD1 3.39Å; I304-L312 HydrophobicContact CG1-CB 4.08Å; A307-L312 HydrophobicContact CB-CD1 4.25Å; A307-L312 HydrophobicContact CB-CG 4.16Å; L312-G316 VanDerWaalsContact CD2-C 3.46Å; L312-G316 VanDerWaalsContact CD2-CA 3.44Å; L312-I317 HydrophobicContact CB-CD1 4.5Å; L312-I317 HydrophobicContact CB-CG1 3.94Å; L312-I317 HydrophobicContact CD1-CG1 4.39Å; L312-W365 PolarHBondContact N-O 2.96Å; L312-W365 PolarHBondContact O-N 3.34Å
313T96.8Very high96.2Very high29 Ų2946 Ų4618%0.17827%0.268CS..EExtended strand (participates in β ladder)trans-72.1153.9173.372.20000110.5S315 G316 I317 F364T313-S315 PolarHBondContact O-N 3.02Å; T313-S315 VanDerWaalsContact O-N 3.1Å; T313-G316 PolarHBondContact O-N 3.43Å; T313-G316 PolarHBondContact OG1-N 2.91Å; T313-I317 WeakPolarHBondContact O-CG1 3.33Å; T313-I317 PolarHBondContact O-N 3.33Å; T313-F364 HydrophobicContact CG2-CD1 3.81Å; T313-F364 HydrophobicContact CG2-CE1 3.71Å; T313-F364 HydrophobicContact CG2-CG 4.47Å; T313-F364 HydrophobicContact CG2-CZ 4.3Å
314L96.8Very high96Very high50 Ų5050.5 Ų50.526%0.26229%0.288SS..Hα-helixtrans-52.7-34.8176.4178.462.5000113Y318 I339 R340 L343L314-Y318 HydrophobicContact CD1-CE1 3.81Å; L314-Y318 HydrophobicContact CD1-CE2 4.4Å; L314-Y318 HydrophobicContact CG-CE1 4.31Å; L314-Y318 HydrophobicContact CG-CE2 4.01Å; L314-Y318 WeakPolarHBondContact O-CD2 3.17Å; L314-Y318 PolarHBondContact O-N 2.87Å; L314-I339 HydrophobicContact CD1-CG2 4.22Å; L314-R340 HydrophobicContact CD1-CG 3.92Å; L314-R340 HydrophobicContact CD2-CG 3.9Å; L314-L343 HydrophobicContact CD1-CD1 3.63Å
315S96.3Very high95.8Very high86 Ų8652.1 Ų52.160%0.60129%0.294SS*.Hα-helixtrans-70.4-41.3177.4-159.80000112.2T313 Y318 A319T313-S315 PolarHBondContact O-N 3.02Å; T313-S315 VanDerWaalsContact O-N 3.1Å; S315-Y318 PolarHBondContact O-N 2.81Å; S315-A319 PolarHBondContact O-N 2.95Å; S315-A319 VanDerWaalsContact O-N 3.09Å
316G96.7Very high95.7Very high19 Ų1952.2 Ų52.220%0.19630%0.295CS..Hα-helixtrans-69.1-31.3176.500000113.1L312 T313 Y318 A319 H320L312-G316 VanDerWaalsContact CD2-C 3.46Å; L312-G316 VanDerWaalsContact CD2-CA 3.44Å; T313-G316 PolarHBondContact O-N 3.43Å; T313-G316 PolarHBondContact OG1-N 2.91Å; G316-Y318 VanDerWaalsContact C-N 3.34Å; G316-Y318 PolarHBondContact O-N 3.47Å; G316-A319 PolarHBondContact O-N 3.09Å; G316-H320 WeakPolarHBondContact O-CB 3.4Å; G316-H320 PolarHBondContact O-N 2.92Å
317I97.7Very high95.6Very high0 Ų052.1 Ų52.10%028%0.284CS..Hα-helixtrans-62.1-43172-64.9169.9000110.2I300 A303 I304 L312 T313 I321 I339 L343 W365I300-I317 HydrophobicContact CG1-CG2 4.17Å; I300-I317 HydrophobicContact CG2-CD1 4.39Å; A303-I317 HydrophobicContact CB-CG2 4.44Å; I304-I317 HydrophobicContact CD1-CD1 4.47Å; I304-I317 HydrophobicContact CG1-CD1 4.42Å; L312-I317 HydrophobicContact CB-CD1 4.5Å; L312-I317 HydrophobicContact CB-CG1 3.94Å; L312-I317 HydrophobicContact CD1-CG1 4.39Å; T313-I317 WeakPolarHBondContact O-CG1 3.33Å; T313-I317 PolarHBondContact O-N 3.33Å; I317-I321 HydrophobicContact CG2-CD1 3.93Å; I317-I321 VanDerWaalsContact O-CG1 3.29Å; I317-I321 WeakPolarHBondContact O-CG1 3.5Å; I317-I321 PolarHBondContact O-N 3.07Å; I317-I321 VanDerWaalsContact O-N 3.16Å; I317-I339 HydrophobicContact CG2-CG2 3.89Å; I317-L343 HydrophobicContact CD1-CD1 4.13Å; I317-L343 HydrophobicContact CD1-CD2 4.16Å; I317-W365 HydrophobicContact CD1-CB 4.3Å
318Y97.2Very high95.5Very high34 Ų3451.7 Ų51.713%0.13328%0.28CS..Hα-helixtrans-61.1-46.2173.5-55.4-36.4000111.4L314 S315 G316 I321 T322 W335 Q336 I339 R340L314-Y318 HydrophobicContact CD1-CE1 3.81Å; L314-Y318 HydrophobicContact CD1-CE2 4.4Å; L314-Y318 HydrophobicContact CG-CE1 4.31Å; L314-Y318 HydrophobicContact CG-CE2 4.01Å; L314-Y318 WeakPolarHBondContact O-CD2 3.17Å; L314-Y318 PolarHBondContact O-N 2.87Å; S315-Y318 PolarHBondContact O-N 2.81Å; G316-Y318 VanDerWaalsContact C-N 3.34Å; G316-Y318 PolarHBondContact O-N 3.47Å; Y318-I321 PolarHBondContact O-N 2.99Å; Y318-T322 PolarHBondContact O-N 2.82Å; Y318-T322 PolarHBondContact O-OG1 3.48Å; Y318-W335 HydrophobicContact CD1-CH2 4.08Å; Y318-W335 AromaticContact CD1-CZ3 3.87Å; Y318-W335 HydrophobicContact CD1-CZ3 3.87Å; Y318-W335 HydrophobicContact CG-CH2 4.34Å; Y318-Q336 HydrophobicContact CD1-CB 4.21Å; Y318-Q336 HydrophobicContact CD1-CG 3.92Å; Y318-Q336 HydrophobicContact CE1-CB 3.62Å; Y318-Q336 HydrophobicContact CE1-CG 3.85Å; Y318-Q336 HydrophobicContact CG-CG 4.35Å; Y318-I339 HydrophobicContact CD1-CG2 4.36Å; Y318-I339 HydrophobicContact CE1-CB 4.19Å; Y318-I339 HydrophobicContact CE1-CG2 4.02Å; Y318-R340 WeakPolarHBondContact OH-CG 3.32Å; Y318-R340 PolarHBondContact OH-NH1 2.83Å
319A97Very high95.4Very high55 Ų5552.6 Ų52.646%0.45527%0.266SS..Hα-helixtrans-65-39.8-178.200000113.2S315 G316 T322 K323S315-A319 PolarHBondContact O-N 2.95Å; S315-A319 VanDerWaalsContact O-N 3.09Å; G316-A319 PolarHBondContact O-N 3.09Å; A319-T322 PolarHBondContact O-OG1 2.94Å; A319-K323 VanDerWaalsContact O-CB 3.26Å; A319-K323 WeakPolarHBondContact O-CB 3.3Å; A319-K323 PolarHBondContact O-N 3.02Å
320H97.2Very high95.2Very high27 Ų2754 Ų5413%0.12528%0.278CS..Hα-helixtrans-61.1-45.3173.3176.1105.4000110.8A303 S306 G316 K323 H324A303-H320 HydrophobicContact CB-CB 3.9Å; S306-H320 PolarHBondContact OG-CE1 3.03Å; S306-H320 PolarHBondContact OG-ND1 2.92Å; G316-H320 WeakPolarHBondContact O-CB 3.4Å; G316-H320 PolarHBondContact O-N 2.92Å; H320-K323 PolarHBondContact O-N 3.4Å; H320-H324 AromaticContact CD2-ND1 3.51Å; H320-H324 AromaticContact CE1-CE1 3.31Å; H320-H324 PolarHBondContact CE1-CE1 3.12Å; H320-H324 AromaticContact CE1-ND1 3.35Å; H320-H324 PolarHBondContact CE1-ND1 2.69Å; H320-H324 VanDerWaalsContact CE1-ND1 3.35Å; H320-H324 AromaticContact CG-CE1 3.95Å; H320-H324 AromaticContact CG-ND1 3.65Å; H320-H324 AromaticContact ND1-CE1 3.42Å; H320-H324 PolarHBondContact ND1-CE1 2.8Å; H320-H324 AromaticContact ND1-ND1 3.55Å; H320-H324 AromaticContact NE2-CE1 3.78Å; H320-H324 AromaticContact NE2-ND1 3.31Å; H320-H324 PolarHBondContact NE2-ND1 2.89Å; H320-H324 PolarHBondContact O-N 2.78Å; H320-H324 VanDerWaalsContact O-N 3.11Å; H320-H324 PolarHBondContact O-ND1 3.23Å
321I96.8Very high94.7Very high0 Ų050.8 Ų50.80%027%0.268CS..Hα-helixtrans-66.7-44.2-178.5-68.7170.9000110.9L299 I317 Y318 K323 Y325 Y328 W335 I339L299-I321 HydrophobicContact CB-CD1 3.92Å; L299-I321 HydrophobicContact CB-CG1 4.24Å; I317-I321 HydrophobicContact CG2-CD1 3.93Å; I317-I321 VanDerWaalsContact O-CG1 3.29Å; I317-I321 WeakPolarHBondContact O-CG1 3.5Å; I317-I321 PolarHBondContact O-N 3.07Å; I317-I321 VanDerWaalsContact O-N 3.16Å; Y318-I321 PolarHBondContact O-N 2.99Å; I321-K323 VanDerWaalsContact C-N 3.33Å; I321-K323 PolarHBondContact O-N 3.14Å; I321-Y325 WeakPolarHBondContact O-CB 3.26Å; I321-Y325 PolarHBondContact O-N 3.42Å; I321-Y328 HydrophobicContact CG2-CD2 3.41Å; I321-Y328 VanDerWaalsContact CG2-CD2 3.41Å; I321-Y328 HydrophobicContact CG2-CE2 4.04Å; I321-Y328 HydrophobicContact CG2-CG 3.82Å; I321-W335 HydrophobicContact CB-CH2 4.4Å; I321-W335 HydrophobicContact CB-CZ3 4.29Å; I321-W335 HydrophobicContact CD1-CZ3 4.34Å; I321-W335 HydrophobicContact CG2-CH2 4.23Å; I321-W335 HydrophobicContact CG2-CZ3 4Å; I321-I339 HydrophobicContact CD1-CD1 3.49Å; I321-I339 VanDerWaalsContact CD1-CD1 3.49Å; I321-I339 HydrophobicContact CD1-CG1 4.21Å
322T95.6Very high94.3Very high39 Ų3952 Ų5224%0.23928%0.275CS..Hα-helixtrans-71.4-25.1176.757.90000113.5Y318 A319 R329 W335Y318-T322 PolarHBondContact O-N 2.82Å; Y318-T322 PolarHBondContact O-OG1 3.48Å; A319-T322 PolarHBondContact O-OG1 2.94Å; T322-R329 PolarHBondContact O-NE 3.14Å; T322-R329 PolarHBondContact O-NH2 2.88Å; T322-W335 HydrophobicContact CG2-CH2 3.87Å; T322-W335 HydrophobicContact CG2-CZ2 3.57Å
323K95.4Very high94Very high150 Ų15058.6 Ų58.665%0.65230%0.303SS*.Hα-helixtrans-65.1-57171.3-175177.2-179.7-177.90110.9A319 H320 I321 R329A319-K323 VanDerWaalsContact O-CB 3.26Å; A319-K323 WeakPolarHBondContact O-CB 3.3Å; A319-K323 PolarHBondContact O-N 3.02Å; H320-K323 PolarHBondContact O-N 3.4Å; I321-K323 VanDerWaalsContact C-N 3.33Å; I321-K323 PolarHBondContact O-N 3.14Å; K323-R329 PolarHBondContact O-NH2 3.35Å
324H94.1Very high93.8Very high93 Ų9358.5 Ų58.543%0.43131%0.308SS..Hα-helixtrans-85.3-13.9-170.6-59.397.9000115.3H320H320-H324 AromaticContact CD2-ND1 3.51Å; H320-H324 AromaticContact CE1-CE1 3.31Å; H320-H324 PolarHBondContact CE1-CE1 3.12Å; H320-H324 AromaticContact CE1-ND1 3.35Å; H320-H324 PolarHBondContact CE1-ND1 2.69Å; H320-H324 VanDerWaalsContact CE1-ND1 3.35Å; H320-H324 AromaticContact CG-CE1 3.95Å; H320-H324 AromaticContact CG-ND1 3.65Å; H320-H324 AromaticContact ND1-CE1 3.42Å; H320-H324 PolarHBondContact ND1-CE1 2.8Å; H320-H324 AromaticContact ND1-ND1 3.55Å; H320-H324 AromaticContact NE2-CE1 3.78Å; H320-H324 AromaticContact NE2-ND1 3.31Å; H320-H324 PolarHBondContact NE2-ND1 2.89Å; H320-H324 PolarHBondContact O-N 2.78Å; H320-H324 VanDerWaalsContact O-N 3.11Å; H320-H324 PolarHBondContact O-ND1 3.23Å
325Y94.3Very high93.7Very high35 Ų3556.6 Ų56.614%0.13730%0.297CS..  trans-135.191.8-178.5-61.4-70.1000110.9P292 Y294 L299 Q302 I321 Y327 Y328P292-Y325 HydrophobicContact CB-CD1 3.58Å; P292-Y325 HydrophobicContact CB-CE1 3.75Å; P292-Y325 HydrophobicContact CB-CG 4.34Å; P292-Y325 HydrophobicContact CG-CD1 3.67Å; P292-Y325 HydrophobicContact CG-CE1 4.22Å; P292-Y325 HydrophobicContact CG-CG 3.93Å; Y294-Y325 AromaticContact CD2-CE1 3.98Å; Y294-Y325 HydrophobicContact CD2-CE1 3.98Å; Y294-Y325 AromaticContact CD2-CZ 3.8Å; Y294-Y325 VanDerWaalsContact CD2-OH 3.29Å; Y294-Y325 WeakPolarHBondContact CD2-OH 3.47Å; Y294-Y325 AromaticContact CE2-CE1 3.91Å; Y294-Y325 HydrophobicContact CE2-CE1 3.91Å; Y294-Y325 AromaticContact CE2-CZ 3.88Å; Y294-Y325 WeakPolarHBondContact CE2-OH 3.41Å; L299-Y325 HydrophobicContact CD2-CD2 3.72Å; L299-Y325 HydrophobicContact CD2-CE2 3.31Å; Q302-Y325 PolarHBondContact OE1-OH 2.9Å; I321-Y325 WeakPolarHBondContact O-CB 3.26Å; I321-Y325 PolarHBondContact O-N 3.42Å; Y325-Y327 PolarHBondContact O-N 2.86Å; Y325-Y327 VanDerWaalsContact O-N 3.12Å; Y325-Y328 PolarHBondContact O-N 3.08Å
326P92.3Very high93.7Very high25 Ų2554.9 Ų54.916%0.16228%0.28CS..THydrogen-bonded Turntrans-55.3-33.2-172.5-30.438.8000115D288 Y328 R329D288-P326 WeakPolarHBondContact OD2-CD 3.45Å; D288-P326 VanDerWaalsContact OD2-CG 3.24Å; D288-P326 WeakPolarHBondContact OD2-CG 3.26Å; P326-Y328 PolarHBondContact O-N 3.37Å; P326-R329 WeakPolarHBondContact O-CB 2.89Å; P326-R329 WeakPolarHBondContact O-CG 3.3Å; P326-R329 PolarHBondContact O-N 2.73Å
327Y93.6Very high93.7Very high67 Ų6758.4 Ų58.426%0.26329%0.294SS..Hα-helixtrans-42.4-39.8170.5171.7-102000114.1E289 K291 Y325 R329 A331E289-Y327 VanDerWaalsContact O-CD2 3.28Å; E289-Y327 WeakPolarHBondContact O-CD2 3.29Å; K291-Y327 HydrophobicContact CB-CD1 4.09Å; K291-Y327 HydrophobicContact CB-CD2 4.27Å; K291-Y327 HydrophobicContact CB-CE1 3.8Å; K291-Y327 HydrophobicContact CB-CE2 4Å; K291-Y327 HydrophobicContact CB-CG 4.31Å; K291-Y327 HydrophobicContact CD-CE1 3.8Å; K291-Y327 HydrophobicContact CG-CD1 4.01Å; K291-Y327 HydrophobicContact CG-CE1 3.56Å; Y325-Y327 PolarHBondContact O-N 2.86Å; Y325-Y327 VanDerWaalsContact O-N 3.12Å; Y327-R329 VanDerWaalsContact C-N 3.29Å; Y327-R329 PolarHBondContact O-N 2.91Å; Y327-A331 HydrophobicContact CD1-CB 4.47Å; Y327-A331 HydrophobicContact CE1-CB 4.09Å; Y327-A331 HydrophobicContact CE2-CB 4.46Å; Y327-A331 WeakPolarHBondContact O-CB 3.34Å; Y327-A331 PolarHBondContact O-N 2.89Å; Y327-A331 VanDerWaalsContact O-N 3.08Å
328Y94Very high93.6Very high4 Ų460 Ų602%0.01631%0.305CS..Hα-helixtrans-80.3-3.6-177.7-68.9-64.7000114.6K291 P292 Y296 L299 I321 Y325 P326 A331 W335K291-Y328 WeakPolarHBondContact CE-OH 3.39Å; P292-Y328 HydrophobicContact CG-CD2 4.46Å; P292-Y328 HydrophobicContact CG-CE2 3.66Å; Y296-Y328 HydrophobicContact CE1-CE1 4.07Å; L299-Y328 HydrophobicContact CD1-CE2 3.71Å; I321-Y328 HydrophobicContact CG2-CD2 3.41Å; I321-Y328 VanDerWaalsContact CG2-CD2 3.41Å; I321-Y328 HydrophobicContact CG2-CE2 4.04Å; I321-Y328 HydrophobicContact CG2-CG 3.82Å; Y325-Y328 PolarHBondContact O-N 3.08Å; P326-Y328 PolarHBondContact O-N 3.37Å; Y328-A331 HydrophobicContact CD1-CB 4.45Å; Y328-W335 HydrophobicContact CD1-CB 3.91Å; Y328-W335 AromaticContact CD1-CD1 3.7Å; Y328-W335 AromaticContact CD1-CD2 3.73Å; Y328-W335 HydrophobicContact CD1-CD2 3.73Å; Y328-W335 HydrophobicContact CD1-CE3 4.28Å; Y328-W335 AromaticContact CD1-CG 3.54Å; Y328-W335 HydrophobicContact CD1-CG 3.54Å; Y328-W335 HydrophobicContact CE1-CB 3.88Å; Y328-W335 HydrophobicContact CE1-CD2 4.42Å; Y328-W335 HydrophobicContact CE1-CG 4.05Å; Y328-W335 HydrophobicContact CG-CD2 4.3Å; Y328-W335 PolarHBondContact O-NE1 3.39Å; Y328-W335 VanDerWaalsContact O-NE1 3.07Å
329R92.4Very high93.7Very high154 Ų15458.4 Ų58.458%0.58130%0.299SS*.Hα-helixtrans-75-42.8172.4-58.3172.8-171.4166.86.1111.3T322 K323 P326 Y327T322-R329 PolarHBondContact O-NE 3.14Å; T322-R329 PolarHBondContact O-NH2 2.88Å; K323-R329 PolarHBondContact O-NH2 3.35Å; P326-R329 WeakPolarHBondContact O-CB 2.89Å; P326-R329 WeakPolarHBondContact O-CG 3.3Å; P326-R329 PolarHBondContact O-N 2.73Å; Y327-R329 VanDerWaalsContact C-N 3.29Å; Y327-R329 PolarHBondContact O-N 2.91Å
330T87.8Confident93.7Very high112 Ų11260.3 Ų60.369%0.68730%0.295SS*.Hα-helixtrans-97.4-23-178.151.70000113.3
331A86Confident93.7Very high22 Ų2263.8 Ų63.818%0.18231%0.311CS..SBendtrans-62.3152.3177.300000114Y327 Y328Y327-A331 HydrophobicContact CD1-CB 4.47Å; Y327-A331 HydrophobicContact CE1-CB 4.09Å; Y327-A331 HydrophobicContact CE2-CB 4.46Å; Y327-A331 WeakPolarHBondContact O-CB 3.34Å; Y327-A331 PolarHBondContact O-N 2.89Å; Y327-A331 VanDerWaalsContact O-N 3.08Å; Y328-A331 HydrophobicContact CD1-CB 4.45Å
332D86.4Confident93.7Very high62 Ų6265 Ų6533%0.33232%0.317SS..  trans-62.7147.2-175.492.5-74000113.3S91 G334 W335S91-D332 PolarHBondContact OG-OD2 3.2Å; S91-D332 VanDerWaalsContact OG-OD2 3.09Å; D332-G334 PolarHBondContact O-N 3.07Å; D332-G334 WeakPolarHBondContact OD2-CA 3.3Å; D332-G334 PolarHBondContact OD2-N 3.21Å; D332-W335 PolarHBondContact O-N 3.31Å; D332-W335 VanDerWaalsContact O-N 3.15Å
333K89.1Confident93.8Very high167 Ų16763.3 Ų63.373%0.72631%0.307SS*.THydrogen-bonded Turntrans-61.1-4-177.4-62.5-179.4-177.7175.90114.2W335 Q336K333-W335 VanDerWaalsContact C-N 3.26Å; K333-W335 PolarHBondContact O-N 2.86Å; K333-Q336 WeakPolarHBondContact O-CB 3.45Å; K333-Q336 PolarHBondContact O-N 3.14Å
334G92.3Very high93.8Very high28 Ų2860.7 Ų60.729%0.28931%0.307SS..Hα-helixtrans-55.7-32.8166.800000114.3D332 Q336 N337 S338D332-G334 PolarHBondContact O-N 3.07Å; D332-G334 WeakPolarHBondContact OD2-CA 3.3Å; D332-G334 PolarHBondContact OD2-N 3.21Å; G334-Q336 VanDerWaalsContact C-N 3.31Å; G334-Q336 PolarHBondContact O-N 3.21Å; G334-N337 WeakPolarHBondContact O-CB 3.24Å; G334-N337 PolarHBondContact O-N 3.08Å; G334-N337 VanDerWaalsContact O-N 3.07Å; G334-S338 PolarHBondContact O-N 3.1Å; G334-S338 VanDerWaalsContact O-N 3.16Å; G334-S338 PolarHBondContact O-OG 2.72Å
335W95.1Very high93.9Very high9 Ų961.2 Ų61.23%0.03431%0.312CS..Hα-helixtrans-63-37.5177.273.6-105.2000112.4Y296 Y318 I321 T322 Y328 D332 K333 N337 S338 I339Y296-W335 HydrophobicContact CE1-CB 4.23Å; Y318-W335 HydrophobicContact CD1-CH2 4.08Å; Y318-W335 AromaticContact CD1-CZ3 3.87Å; Y318-W335 HydrophobicContact CD1-CZ3 3.87Å; Y318-W335 HydrophobicContact CG-CH2 4.34Å; I321-W335 HydrophobicContact CB-CH2 4.4Å; I321-W335 HydrophobicContact CB-CZ3 4.29Å; I321-W335 HydrophobicContact CD1-CZ3 4.34Å; I321-W335 HydrophobicContact CG2-CH2 4.23Å; I321-W335 HydrophobicContact CG2-CZ3 4Å; T322-W335 HydrophobicContact CG2-CH2 3.87Å; T322-W335 HydrophobicContact CG2-CZ2 3.57Å; Y328-W335 HydrophobicContact CD1-CB 3.91Å; Y328-W335 AromaticContact CD1-CD1 3.7Å; Y328-W335 AromaticContact CD1-CD2 3.73Å; Y328-W335 HydrophobicContact CD1-CD2 3.73Å; Y328-W335 HydrophobicContact CD1-CE3 4.28Å; Y328-W335 AromaticContact CD1-CG 3.54Å; Y328-W335 HydrophobicContact CD1-CG 3.54Å; Y328-W335 HydrophobicContact CE1-CB 3.88Å; Y328-W335 HydrophobicContact CE1-CD2 4.42Å; Y328-W335 HydrophobicContact CE1-CG 4.05Å; Y328-W335 HydrophobicContact CG-CD2 4.3Å; Y328-W335 PolarHBondContact O-NE1 3.39Å; Y328-W335 VanDerWaalsContact O-NE1 3.07Å; D332-W335 PolarHBondContact O-N 3.31Å; D332-W335 VanDerWaalsContact O-N 3.15Å; K333-W335 VanDerWaalsContact C-N 3.26Å; K333-W335 PolarHBondContact O-N 2.86Å; W335-N337 PolarHBondContact O-N 2.77Å; W335-S338 WeakPolarHBondContact O-CA 3.28Å; W335-S338 WeakPolarHBondContact O-CB 3.33Å; W335-S338 PolarHBondContact O-N 2.7Å; W335-I339 HydrophobicContact CE3-CG1 3.84Å; W335-I339 HydrophobicContact CZ3-CG1 4Å; W335-I339 PolarHBondContact O-N 2.87Å
336Q96.1Very high94Very high51 Ų5161.1 Ų61.124%0.23831%0.314CS..Hα-helixtrans-62.9-31.9175.2-62.1-176.8-8.600112Y318 K333 G334 I339 R340Y318-Q336 HydrophobicContact CD1-CB 4.21Å; Y318-Q336 HydrophobicContact CD1-CG 3.92Å; Y318-Q336 HydrophobicContact CE1-CB 3.62Å; Y318-Q336 HydrophobicContact CE1-CG 3.85Å; Y318-Q336 HydrophobicContact CG-CG 4.35Å; K333-Q336 WeakPolarHBondContact O-CB 3.45Å; K333-Q336 PolarHBondContact O-N 3.14Å; G334-Q336 VanDerWaalsContact C-N 3.31Å; G334-Q336 PolarHBondContact O-N 3.21Å; Q336-I339 PolarHBondContact O-N 2.87Å; Q336-R340 WeakPolarHBondContact O-CG 3.31Å; Q336-R340 PolarHBondContact O-N 2.91Å; Q336-R340 VanDerWaalsContact O-N 3.08Å; Q336-R340 PolarHBondContact O-NH1 3.32Å
337N96.4Very high94.1Very high92 Ų9271.3 Ų71.349%0.49235%0.35SS..Hα-helixtrans-69.9-35.9173.3-161.470.6000112G334 W335 I339 R340 H341G334-N337 WeakPolarHBondContact O-CB 3.24Å; G334-N337 PolarHBondContact O-N 3.08Å; G334-N337 VanDerWaalsContact O-N 3.07Å; W335-N337 PolarHBondContact O-N 2.77Å; N337-I339 VanDerWaalsContact C-N 3.35Å; N337-R340 PolarHBondContact O-N 2.86Å; N337-R340 PolarHBondContact OD1-NH2 3.21Å; N337-H341 WeakPolarHBondContact O-CB 3.11Å; N337-H341 PolarHBondContact O-N 2.77Å
338S97.3Very high94.2Very high34 Ų3470.9 Ų70.924%0.23835%0.348CS..Hα-helixtrans-65.2-36.6172.6-51.70000112.4Y296 G334 W335 H341 N342Y296-S338 VanDerWaalsContact CD2-CB 3.41Å; G334-S338 PolarHBondContact O-N 3.1Å; G334-S338 VanDerWaalsContact O-N 3.16Å; G334-S338 PolarHBondContact O-OG 2.72Å; W335-S338 WeakPolarHBondContact O-CA 3.28Å; W335-S338 WeakPolarHBondContact O-CB 3.33Å; W335-S338 PolarHBondContact O-N 2.7Å; S338-H341 PolarHBondContact O-N 2.77Å; S338-N342 PolarHBondContact O-N 3.04Å; S338-N342 PolarHBondContact O-ND2 2.83Å
339I97.8Very high94.3Very high0 Ų071.1 Ų71.10%035%0.349CS..Hα-helixtrans-61.8-53.3172.1-65.5-67.9000110.9Y296 I300 L314 I317 Y318 I321 W335 Q336 N337 H341 N342 L343Y296-I339 HydrophobicContact CD1-CD1 4.01Å; Y296-I339 HydrophobicContact CG-CD1 4.46Å; I300-I339 HydrophobicContact CD1-CD1 4.09Å; I300-I339 HydrophobicContact CD1-CG2 4.21Å; I300-I339 HydrophobicContact CG1-CD1 3.82Å; I300-I339 HydrophobicContact CG1-CG2 4.2Å; L314-I339 HydrophobicContact CD1-CG2 4.22Å; I317-I339 HydrophobicContact CG2-CG2 3.89Å; Y318-I339 HydrophobicContact CD1-CG2 4.36Å; Y318-I339 HydrophobicContact CE1-CB 4.19Å; Y318-I339 HydrophobicContact CE1-CG2 4.02Å; I321-I339 HydrophobicContact CD1-CD1 3.49Å; I321-I339 VanDerWaalsContact CD1-CD1 3.49Å; I321-I339 HydrophobicContact CD1-CG1 4.21Å; W335-I339 HydrophobicContact CE3-CG1 3.84Å; W335-I339 HydrophobicContact CZ3-CG1 4Å; W335-I339 PolarHBondContact O-N 2.87Å; Q336-I339 PolarHBondContact O-N 2.87Å; N337-I339 VanDerWaalsContact C-N 3.35Å; I339-H341 VanDerWaalsContact C-N 3.26Å; I339-H341 PolarHBondContact O-N 3.08Å; I339-N342 PolarHBondContact O-N 3.35Å; I339-L343 HydrophobicContact CG2-CD1 4.07Å; I339-L343 WeakPolarHBondContact O-CG 3.24Å; I339-L343 PolarHBondContact O-N 3.31Å
340R97.4Very high94.5Very high96 Ų9667.4 Ų67.436%0.36234%0.34SS..Hα-helixtrans-55.1-41176.9-70.9-173.7-59.6-92.311112.8L314 Y318 Q336 N337 S344L314-R340 HydrophobicContact CD1-CG 3.92Å; L314-R340 HydrophobicContact CD2-CG 3.9Å; Y318-R340 WeakPolarHBondContact OH-CG 3.32Å; Y318-R340 PolarHBondContact OH-NH1 2.83Å; Q336-R340 WeakPolarHBondContact O-CG 3.31Å; Q336-R340 PolarHBondContact O-N 2.91Å; Q336-R340 VanDerWaalsContact O-N 3.08Å; Q336-R340 PolarHBondContact O-NH1 3.32Å; N337-R340 PolarHBondContact O-N 2.86Å; N337-R340 PolarHBondContact OD1-NH2 3.21Å; R340-S344 PolarHBondContact O-N 3.17Å; R340-S344 PolarHBondContact O-OG 3.14Å
341H97.3Very high95Very high100 Ų10069.1 Ų69.146%0.46334%0.338SS..Hα-helixtrans-66.7-40.9176174.546.2000112.7N337 S338 I339 L343 S344 L345N337-H341 WeakPolarHBondContact O-CB 3.11Å; N337-H341 PolarHBondContact O-N 2.77Å; S338-H341 PolarHBondContact O-N 2.77Å; I339-H341 VanDerWaalsContact C-N 3.26Å; I339-H341 PolarHBondContact O-N 3.08Å; H341-L343 VanDerWaalsContact C-N 3.33Å; H341-L343 PolarHBondContact O-N 3.48Å; H341-S344 PolarHBondContact O-N 2.76Å; H341-S344 PolarHBondContact O-OG 3.48Å; H341-L345 WeakPolarHBondContact O-CB 3.16Å; H341-L345 PolarHBondContact O-N 2.97Å
342N97.8Very high95.4Very high26 Ų2669.2 Ų69.214%0.13934%0.336CS..Hα-helixtrans-67.1-35.1178.6-85.3-102.3000112I300 S338 I339 S344 N346 F349I300-N342 HydrophobicContact CD1-CB 3.67Å; S338-N342 PolarHBondContact O-N 3.04Å; S338-N342 PolarHBondContact O-ND2 2.83Å; I339-N342 PolarHBondContact O-N 3.35Å; N342-S344 VanDerWaalsContact C-N 3.34Å; N342-S344 PolarHBondContact O-N 3.14Å; N342-N346 PolarHBondContact O-N 3.37Å; N342-N346 PolarHBondContact O-ND2 3.34Å; N342-F349 WeakPolarHBondContact O-CD2 3.22Å
343L97.3Very high95.6Very high3 Ų370.2 Ų70.22%0.01635%0.353CS..Hα-helixtrans-63.4-34.1175-70.8168.3000113.2I300 L314 I317 I339 H341 F349 W365I300-L343 HydrophobicContact CD1-CD2 4.12Å; I300-L343 HydrophobicContact CD1-CG 4Å; I300-L343 HydrophobicContact CG2-CD2 3.67Å; L314-L343 HydrophobicContact CD1-CD1 3.63Å; I317-L343 HydrophobicContact CD1-CD1 4.13Å; I317-L343 HydrophobicContact CD1-CD2 4.16Å; I339-L343 HydrophobicContact CG2-CD1 4.07Å; I339-L343 WeakPolarHBondContact O-CG 3.24Å; I339-L343 PolarHBondContact O-N 3.31Å; H341-L343 VanDerWaalsContact C-N 3.33Å; H341-L343 PolarHBondContact O-N 3.48Å; L343-F349 HydrophobicContact CD2-CB 4.13Å; L343-F349 HydrophobicContact CD2-CD1 4.49Å; L343-F349 HydrophobicContact CD2-CD2 4.14Å; L343-F349 HydrophobicContact CD2-CG 4.02Å; L343-W365 HydrophobicContact CB-CD2 4.2Å; L343-W365 HydrophobicContact CB-CE3 4.07Å; L343-W365 HydrophobicContact CB-CH2 3.88Å; L343-W365 HydrophobicContact CB-CZ2 4.03Å; L343-W365 HydrophobicContact CB-CZ3 3.9Å; L343-W365 HydrophobicContact CD1-CD2 4.22Å; L343-W365 HydrophobicContact CD1-CG 4.33Å; L343-W365 HydrophobicContact CD1-CZ2 4.49Å; L343-W365 HydrophobicContact CD2-CB 4.19Å; L343-W365 HydrophobicContact CD2-CD2 3.82Å; L343-W365 HydrophobicContact CD2-CE3 3.92Å; L343-W365 HydrophobicContact CD2-CG 3.94Å; L343-W365 HydrophobicContact CG-CD2 4.31Å; L343-W365 HydrophobicContact CG-CE3 4.49Å; L343-W365 VanDerWaalsContact O-CZ3 3.22Å; L343-W365 WeakPolarHBondContact O-CZ3 3.38Å
344S95.9Very high95.6Very high94 Ų9465.4 Ų65.466%0.65733%0.331SS*.Hα-helixtrans-93.7-19.6176.660.80000114.9R340 H341 N342R340-S344 PolarHBondContact O-N 3.17Å; R340-S344 PolarHBondContact O-OG 3.14Å; H341-S344 PolarHBondContact O-N 2.76Å; H341-S344 PolarHBondContact O-OG 3.48Å; N342-S344 VanDerWaalsContact C-N 3.34Å; N342-S344 PolarHBondContact O-N 3.14Å
345L95.4Very high95.2Very high104 Ų10467.2 Ų67.255%0.54534%0.339SS..Hα-helixtrans-77.4-40.1178.4179.969.7000112.6H341H341-L345 WeakPolarHBondContact O-CB 3.16Å; H341-L345 PolarHBondContact O-N 2.97Å
346N95.5Very high94.4Very high33 Ų3376 Ų7618%0.17638%0.38CS..  trans-98114.1-171.3-64.2-82.9000110.6N342 Y348 F349N342-N346 PolarHBondContact O-N 3.37Å; N342-N346 PolarHBondContact O-ND2 3.34Å; N346-Y348 HydrophobicContact CB-CD1 4.06Å; N346-Y348 HydrophobicContact CB-CD2 4.32Å; N346-Y348 HydrophobicContact CB-CE1 3.59Å; N346-Y348 HydrophobicContact CB-CE2 3.91Å; N346-Y348 HydrophobicContact CB-CG 4.39Å; N346-Y348 VanDerWaalsContact CG-OH 3.27Å; N346-Y348 PolarHBondContact O-N 3.1Å; N346-Y348 VanDerWaalsContact O-N 3.08Å; N346-Y348 PolarHBondContact OD1-OH 3.2Å; N346-F349 HydrophobicContact CB-CD2 3.84Å; N346-F349 HydrophobicContact CB-CE2 4.17Å; N346-F349 PolarHBondContact O-N 3.44Å
347R94.4Very high93.6Very high240 Ų24080.2 Ų80.291%0.90640%0.404SS*.THydrogen-bonded Turntrans-60.8-20.1-177.1-69.4-170.1-179.8-178.30.6115F349R347-F349 PolarHBondContact O-N 3.38Å
348Y95.9Very high92.7Very high58 Ų5881.4 Ų81.423%0.22741%0.407CS..THydrogen-bonded Turntrans-76.5-2.917557.1-102.8000114N346 I367 D368 S371 L375N346-Y348 HydrophobicContact CB-CD1 4.06Å; N346-Y348 HydrophobicContact CB-CD2 4.32Å; N346-Y348 HydrophobicContact CB-CE1 3.59Å; N346-Y348 HydrophobicContact CB-CE2 3.91Å; N346-Y348 HydrophobicContact CB-CG 4.39Å; N346-Y348 VanDerWaalsContact CG-OH 3.27Å; N346-Y348 PolarHBondContact O-N 3.1Å; N346-Y348 VanDerWaalsContact O-N 3.08Å; N346-Y348 PolarHBondContact OD1-OH 3.2Å; Y348-I367 CarbonylContact O-C 3.57Å; Y348-I367 WeakPolarHBondContact O-CA 3.32Å; Y348-D368 PolarHBondContact O-N 3.32Å; Y348-S371 WeakPolarHBondContact CB-OG 3.43Å; Y348-L375 HydrophobicContact CD1-CD1 4.38Å; Y348-L375 HydrophobicContact CD2-CD1 3.33Å; Y348-L375 HydrophobicContact CD2-CD2 4.19Å; Y348-L375 HydrophobicContact CD2-CG 4.43Å; Y348-L375 HydrophobicContact CE1-CD2 4.32Å; Y348-L375 HydrophobicContact CE2-CD1 3.87Å; Y348-L375 HydrophobicContact CE2-CD2 3.92Å; Y348-L375 HydrophobicContact CG-CD1 3.63Å; Y348-L375 HydrophobicContact CG-CD2 4.5Å
349F97.4Very high91.5Very high9 Ų986 Ų864%0.03944%0.436CS..EExtended strand (participates in β ladder)trans-98.4106.3165.5-64.4-48.7000109.8A297 I300 V301 I304 N342 L343 N346 R347 W365 R366 I367A297-F349 HydrophobicContact CB-CE2 4.46Å; I300-F349 HydrophobicContact CB-CE1 4.08Å; I300-F349 HydrophobicContact CB-CE2 4.18Å; I300-F349 HydrophobicContact CB-CZ 3.61Å; I300-F349 HydrophobicContact CD1-CE2 3.99Å; I300-F349 HydrophobicContact CD1-CZ 4.3Å; I300-F349 HydrophobicContact CG2-CD1 3.92Å; I300-F349 HydrophobicContact CG2-CD2 4.45Å; I300-F349 HydrophobicContact CG2-CE1 3.36Å; I300-F349 HydrophobicContact CG2-CE2 3.96Å; I300-F349 HydrophobicContact CG2-CG 4.44Å; I300-F349 HydrophobicContact CG2-CZ 3.37Å; V301-F349 HydrophobicContact CG2-CE1 3.89Å; V301-F349 HydrophobicContact CG2-CZ 3.95Å; I304-F349 HydrophobicContact CD1-CD1 4.11Å; I304-F349 HydrophobicContact CD1-CE1 4.26Å; N342-F349 WeakPolarHBondContact O-CD2 3.22Å; L343-F349 HydrophobicContact CD2-CB 4.13Å; L343-F349 HydrophobicContact CD2-CD1 4.49Å; L343-F349 HydrophobicContact CD2-CD2 4.14Å; L343-F349 HydrophobicContact CD2-CG 4.02Å; N346-F349 HydrophobicContact CB-CD2 3.84Å; N346-F349 HydrophobicContact CB-CE2 4.17Å; N346-F349 PolarHBondContact O-N 3.44Å; R347-F349 PolarHBondContact O-N 3.38Å; F349-W365 HydrophobicContact CB-CE3 4.17Å; F349-W365 HydrophobicContact CB-CZ3 4.48Å; F349-R366 CarbonylContact C-O 3.58Å; F349-R366 WeakPolarHBondContact CA-O 3.48Å; F349-I367 HydrophobicContact CD1-CG1 4.34Å; F349-I367 HydrophobicContact CE1-CG1 4.23Å
350L96.8Very high90.7Very high76 Ų7687.7 Ų87.740%0.39845%0.454SS..EExtended strand (participates in β ladder)trans-89124.1-177.4-57.5-179.2000109.9W365 R366 D368L350-W365 WeakPolarHBondContact O-CA 3.38Å; L350-R366 PolarHBondContact N-O 2.97Å; L350-R366 PolarHBondContact O-N 3.04Å; L350-D368 HydrophobicContact CD1-CB 4.02Å; L350-D368 HydrophobicContact CG-CB 4.18Å
351K96.6Very high89.9Confident148 Ų14893 Ų9364%0.64348%0.479SS*.EExtended strand (participates in β ladder)trans-79.4120.8172.3-174.9-167.7170.2-165.60109.2S363 W365K351-S363 WeakPolarHBondContact CE-OG 3.37Å; K351-W365 HydrophobicContact CB-CE3 4.1Å; K351-W365 HydrophobicContact CB-CH2 3.85Å; K351-W365 HydrophobicContact CB-CZ2 4.3Å; K351-W365 HydrophobicContact CB-CZ3 3.74Å; K351-W365 HydrophobicContact CG-CH2 4.19Å; K351-W365 HydrophobicContact CG-CZ2 4.18Å; K351-W365 HydrophobicContact CG-CZ3 4.49Å
352V94.4Very high89.6Confident24 Ų2490.6 Ų90.615%0.14548%0.482CS..EExtended strand (participates in β ladder)trans-114.8127.4-172.2175.50000109.6S363 F364 R366V352-S363 VanDerWaalsContact O-CB 3.27Å; V352-S363 WeakPolarHBondContact O-CB 3.35Å; V352-F364 HydrophobicContact CB-CB 4.01Å; V352-F364 HydrophobicContact CG1-CB 4.31Å; V352-F364 PolarHBondContact N-O 3.46Å; V352-F364 PolarHBondContact O-N 3.24Å; V352-R366 HydrophobicContact CG2-CB 4.11Å; V352-R366 HydrophobicContact CG2-CG 4.12Å
353A92Very high89.4Confident83 Ų8390.9 Ų90.969%0.68649%0.486SS*.PPolyproline II helixtrans-62.1149.7172.600000110.4
354R88.7Confident89.4Confident66 Ų6692.6 Ų92.625%0.24949%0.494CS..PPolyproline II helixtrans-71.7156.6166.2-65.2-171.2176.5-123.44.7109.2E358 G360 K361 G362 F364R354-E358 WeakPolarHBondContact CD-O 3.46Å; R354-G360 WeakPolarHBondContact CD-O 3.36Å; R354-G360 VanDerWaalsContact CZ-C 3.47Å; R354-G360 PolarHBondContact NE-O 3.21Å; R354-G360 VanDerWaalsContact NE-O 3.1Å; R354-K361 PolarHBondContact NH2-O 3.25Å; R354-G362 PolarHBondContact NE-O 2.64Å; R354-F364 HydrophobicContact CG-CD2 3.99Å; R354-F364 HydrophobicContact CG-CE2 3.91Å
355S84.8Confident89.4Confident65 Ų6589.9 Ų89.946%0.45547%0.469SS..PPolyproline II helixtrans-57.2153.115642.90000110D357S355-D357 WeakPolarHBondContact CB-OD2 3.46Å; S355-D357 PolarHBondContact O-N 2.91Å
356Q77.7Confident89.5Confident194 Ų19490.5 Ų90.591%0.90746%0.464SS*.THydrogen-bonded Turntrans-70.2-22.4179.4-172.9163.8-45.600111.9E358Q356-E358 VanDerWaalsContact C-N 3.29Å; Q356-E358 PolarHBondContact O-N 2.73Å
357D79.3Confident89.6Confident140 Ų14089.6 Ų89.675%0.74946%0.459SS*.THydrogen-bonded Turntrans-76.3-13.9-176.7-34.9-83.1000113.2S355 P359S355-D357 WeakPolarHBondContact CB-OD2 3.46Å; S355-D357 PolarHBondContact O-N 2.91Å; D357-P359 VanDerWaalsContact C-CD 3.49Å; D357-P359 WeakPolarHBondContact O-CD 3.41Å
358E77.3Confident89.7Confident116 Ų11680.9 Ų80.954%0.54243%0.431SS..SBendtrans-114.277.4-175.1-86.5-70.9153.200111.6R354 Q356 G360R354-E358 WeakPolarHBondContact CD-O 3.46Å; Q356-E358 VanDerWaalsContact C-N 3.29Å; Q356-E358 PolarHBondContact O-N 2.73Å; E358-G360 PolarHBondContact O-N 2.8Å
359P71.6Confident89.6Confident130 Ų13082.9 Ų82.984%0.84445%0.453SS*.  trans-68.588.2-174.828.6-36.3000112D357D357-P359 VanDerWaalsContact C-CD 3.49Å; D357-P359 WeakPolarHBondContact O-CD 3.41Å
360G81.1Confident89.5Confident37 Ų3786.5 Ų86.538%0.38149%0.485SS..  trans-143.7156.9-175.300000115.2R354 E358 G362R354-G360 WeakPolarHBondContact CD-O 3.36Å; R354-G360 VanDerWaalsContact CZ-C 3.47Å; R354-G360 PolarHBondContact NE-O 3.21Å; R354-G360 VanDerWaalsContact NE-O 3.1Å; E358-G360 PolarHBondContact O-N 2.8Å; G360-G362 PolarHBondContact O-N 2.69Å
361K81.8Confident89.3Confident206 Ų20683.9 Ų83.990%0.89647%0.473SS*.SBendtrans-70.6124.4-172-166.9169.9-174.2167.70112.4R354R354-K361 PolarHBondContact NH2-O 3.25Å
362G89.4Confident89.1Confident51 Ų5178.9 Ų78.953%0.52645%0.452SS..SBendtrans74.2173.117100000115.3R354 G360R354-G362 PolarHBondContact NE-O 2.64Å; G360-G362 PolarHBondContact O-N 2.69Å
363S94.6Very high89.1Confident32 Ų3282.5 Ų82.522%0.22448%0.478CS..  trans-86.9157.5-175.8-59.50000113.6K351 V352K351-S363 WeakPolarHBondContact CE-OG 3.37Å; V352-S363 VanDerWaalsContact O-CB 3.27Å; V352-S363 WeakPolarHBondContact O-CB 3.35Å
364F96Very high89.2Confident39 Ų3985.3 Ų85.317%0.17147%0.474CS..EExtended strand (participates in β ladder)trans-75.1157.5162-73-80000110.6Q311 T313 V352 R354Q311-F364 HydrophobicContact CB-CB 4.43Å; Q311-F364 HydrophobicContact CB-CD1 4.32Å; Q311-F364 HydrophobicContact CG-CD1 3.79Å; Q311-F364 HydrophobicContact CG-CE1 4.25Å; Q311-F364 HydrophobicContact CG-CG 4.33Å; T313-F364 HydrophobicContact CG2-CD1 3.81Å; T313-F364 HydrophobicContact CG2-CE1 3.71Å; T313-F364 HydrophobicContact CG2-CG 4.47Å; T313-F364 HydrophobicContact CG2-CZ 4.3Å; V352-F364 HydrophobicContact CB-CB 4.01Å; V352-F364 HydrophobicContact CG1-CB 4.31Å; V352-F364 PolarHBondContact N-O 3.46Å; V352-F364 PolarHBondContact O-N 3.24Å; R354-F364 HydrophobicContact CG-CD2 3.99Å; R354-F364 HydrophobicContact CG-CE2 3.91Å
365W97.6Very high89.4Confident37 Ų3783.4 Ų83.414%0.1447%0.469CS..EExtended strand (participates in β ladder)trans-124.8129170.4-66.989.2000109.2I304 Q311 L312 I317 L343 F349 L350 K351I304-W365 HydrophobicContact CD1-CB 4.16Å; Q311-W365 CarbonylContact C-O 3.53Å; Q311-W365 VanDerWaalsContact CA-O 3.27Å; Q311-W365 WeakPolarHBondContact CA-O 3.45Å; L312-W365 PolarHBondContact N-O 2.96Å; L312-W365 PolarHBondContact O-N 3.34Å; I317-W365 HydrophobicContact CD1-CB 4.3Å; L343-W365 HydrophobicContact CB-CD2 4.2Å; L343-W365 HydrophobicContact CB-CE3 4.07Å; L343-W365 HydrophobicContact CB-CH2 3.88Å; L343-W365 HydrophobicContact CB-CZ2 4.03Å; L343-W365 HydrophobicContact CB-CZ3 3.9Å; L343-W365 HydrophobicContact CD1-CD2 4.22Å; L343-W365 HydrophobicContact CD1-CG 4.33Å; L343-W365 HydrophobicContact CD1-CZ2 4.49Å; L343-W365 HydrophobicContact CD2-CB 4.19Å; L343-W365 HydrophobicContact CD2-CD2 3.82Å; L343-W365 HydrophobicContact CD2-CE3 3.92Å; L343-W365 HydrophobicContact CD2-CG 3.94Å; L343-W365 HydrophobicContact CG-CD2 4.31Å; L343-W365 HydrophobicContact CG-CE3 4.49Å; L343-W365 VanDerWaalsContact O-CZ3 3.22Å; L343-W365 WeakPolarHBondContact O-CZ3 3.38Å; F349-W365 HydrophobicContact CB-CE3 4.17Å; F349-W365 HydrophobicContact CB-CZ3 4.48Å; L350-W365 WeakPolarHBondContact O-CA 3.38Å; K351-W365 HydrophobicContact CB-CE3 4.1Å; K351-W365 HydrophobicContact CB-CH2 3.85Å; K351-W365 HydrophobicContact CB-CZ2 4.3Å; K351-W365 HydrophobicContact CB-CZ3 3.74Å; K351-W365 HydrophobicContact CG-CH2 4.19Å; K351-W365 HydrophobicContact CG-CZ2 4.18Å; K351-W365 HydrophobicContact CG-CZ3 4.49Å
366R96.9Very high89.9Confident116 Ų11682.4 Ų82.444%0.43846%0.46SS..EExtended strand (participates in β ladder)trans-113.8160.2173.6-80.7-165.7-103.8162.83.8110.7Q311 F349 L350 V352Q311-R366 HydrophobicContact CB-CG 3.33Å; F349-R366 CarbonylContact C-O 3.58Å; F349-R366 WeakPolarHBondContact CA-O 3.48Å; L350-R366 PolarHBondContact N-O 2.97Å; L350-R366 PolarHBondContact O-N 3.04Å; V352-R366 HydrophobicContact CG2-CB 4.11Å; V352-R366 HydrophobicContact CG2-CG 4.12Å
367I97.3Very high90.6Very high14 Ų1478.8 Ų78.87%0.07244%0.443CS..EExtended strand (participates in β ladder)trans-85.7143.7163.4-60.3159.5000107.8V301 I304 S305 Y348 F349 S369 E372 L375V301-I367 HydrophobicContact CB-CD1 4.36Å; V301-I367 HydrophobicContact CG1-CD1 3.95Å; V301-I367 HydrophobicContact CG2-CD1 4.31Å; I304-I367 HydrophobicContact CB-CD1 4.05Å; I304-I367 HydrophobicContact CB-CG1 4.23Å; I304-I367 HydrophobicContact CD1-CG1 4.27Å; I304-I367 HydrophobicContact CG2-CD1 3.97Å; I304-I367 HydrophobicContact CG2-CG1 3.94Å; S305-I367 VanDerWaalsContact OG-CD1 3.26Å; S305-I367 WeakPolarHBondContact OG-CD1 3.45Å; Y348-I367 CarbonylContact O-C 3.57Å; Y348-I367 WeakPolarHBondContact O-CA 3.32Å; F349-I367 HydrophobicContact CD1-CG1 4.34Å; F349-I367 HydrophobicContact CE1-CG1 4.23Å; I367-S369 PolarHBondContact O-N 3.43Å; I367-E372 HydrophobicContact CB-CG 4.46Å; I367-E372 HydrophobicContact CD1-CG 4.35Å; I367-E372 HydrophobicContact CG2-CB 3.97Å; I367-E372 HydrophobicContact CG2-CG 4.24Å; I367-L375 HydrophobicContact CG2-CD1 3.64Å
368D96.6Very high91.2Very high58 Ų5877 Ų7731%0.3143%0.431SS..  trans-65.5123.8170.516939.4000110.9Y348 L350 A370 S371 E372Y348-D368 PolarHBondContact O-N 3.32Å; L350-D368 HydrophobicContact CD1-CB 4.02Å; L350-D368 HydrophobicContact CG-CB 4.18Å; D368-A370 VanDerWaalsContact C-N 3.29Å; D368-A370 PolarHBondContact O-N 3.11Å; D368-S371 CarbonylContact O-C 3.57Å; D368-S371 WeakPolarHBondContact O-CA 3.39Å; D368-S371 PolarHBondContact O-N 3.44Å; D368-S371 PolarHBondContact O-OG 3.48Å; D368-E372 PolarHBondContact O-N 3.01Å
369S94.9Very high91.9Very high99 Ų9971.6 Ų71.669%0.69241%0.405SS*.Hα-helixtrans-57.1-37.9-173.2-176.70000113I367 S371 E372I367-S369 PolarHBondContact O-N 3.43Å; S369-S371 PolarHBondContact O-N 2.89Å; S369-S371 VanDerWaalsContact O-N 3.07Å; S369-E372 PolarHBondContact O-N 3.35Å
370A94.1Very high92.8Very high86 Ų8671.5 Ų71.571%0.71139%0.392SS*.Hα-helixtrans-65.1-1417700000113.7D368D368-A370 VanDerWaalsContact C-N 3.29Å; D368-A370 PolarHBondContact O-N 3.11Å
371S92.4Very high93.3Very high21 Ų2176.5 Ų76.515%0.14740%0.399CS..Hα-helixtrans-114.4-16.9-179.374.50000114.5Y348 D368 S369 S373 K374 L375Y348-S371 WeakPolarHBondContact CB-OG 3.43Å; D368-S371 CarbonylContact O-C 3.57Å; D368-S371 WeakPolarHBondContact O-CA 3.39Å; D368-S371 PolarHBondContact O-N 3.44Å; D368-S371 PolarHBondContact O-OG 3.48Å; S369-S371 PolarHBondContact O-N 2.89Å; S369-S371 VanDerWaalsContact O-N 3.07Å; S371-S373 PolarHBondContact O-N 3.27Å; S371-K374 PolarHBondContact O-N 3.47Å; S371-L375 WeakPolarHBondContact O-CG 3.41Å; S371-L375 PolarHBondContact O-N 3.33Å; S371-L375 VanDerWaalsContact OG-CD1 3.27Å; S371-L375 WeakPolarHBondContact OG-CD1 3.41Å
372E93.6Very high93.4Very high43 Ų4373.8 Ų73.820%0.20139%0.387CS..Hα-helixtrans-54.6-55.5-167.9-173-179.3179.300112.4S305 K310 I367 D368 S369 K374 L375 V376S305-E372 PolarHBondContact OG-OE1 3.34Å; K310-E372 IonicContact NZ-OE1 3.89Å; K310-E372 PolarHBondContact NZ-OE1 3.05Å; I367-E372 HydrophobicContact CB-CG 4.46Å; I367-E372 HydrophobicContact CD1-CG 4.35Å; I367-E372 HydrophobicContact CG2-CB 3.97Å; I367-E372 HydrophobicContact CG2-CG 4.24Å; D368-E372 PolarHBondContact O-N 3.01Å; S369-E372 PolarHBondContact O-N 3.35Å; E372-K374 VanDerWaalsContact C-N 3.27Å; E372-K374 PolarHBondContact O-N 3.02Å; E372-L375 PolarHBondContact O-N 3.44Å; E372-V376 HydrophobicContact CG-CG2 3.87Å; E372-V376 WeakPolarHBondContact O-CG2 3.47Å; E372-V376 PolarHBondContact O-N 2.95Å
373S93.8Very high92.6Very high99 Ų9978 Ų7869%0.69239%0.388SS*.Hα-helixtrans-55.9-41.6-175.7-430000112.6S371 E377S371-S373 PolarHBondContact O-N 3.27Å; S373-E377 WeakPolarHBondContact O-CB 3.47Å; S373-E377 PolarHBondContact O-N 3.31Å; S373-E377 VanDerWaalsContact O-N 3.11Å
374K94.1Very high91.3Very high142 Ų14287.5 Ų87.562%0.61742%0.418SS*.Hα-helixtrans-69.5-36.3178.9-65.5169.4-177.8163.70111.7S371 E372 Q378S371-K374 PolarHBondContact O-N 3.47Å; E372-K374 VanDerWaalsContact C-N 3.27Å; E372-K374 PolarHBondContact O-N 3.02Å; K374-Q378 VanDerWaalsContact O-CG 3.24Å; K374-Q378 WeakPolarHBondContact O-CG 3.4Å; K374-Q378 PolarHBondContact O-N 3.12Å
375L93.7Very high89.4Confident26 Ų2694.5 Ų94.514%0.13645%0.452CS..Hα-helixtrans-73.8-42.2178.3-72.2169.7000111.8V301 Y348 I367 S371 E372 Q378 A379V301-L375 HydrophobicContact CG1-CB 4.2Å; V301-L375 HydrophobicContact CG2-CB 4.13Å; Y348-L375 HydrophobicContact CD1-CD1 4.38Å; Y348-L375 HydrophobicContact CD2-CD1 3.33Å; Y348-L375 HydrophobicContact CD2-CD2 4.19Å; Y348-L375 HydrophobicContact CD2-CG 4.43Å; Y348-L375 HydrophobicContact CE1-CD2 4.32Å; Y348-L375 HydrophobicContact CE2-CD1 3.87Å; Y348-L375 HydrophobicContact CE2-CD2 3.92Å; Y348-L375 HydrophobicContact CG-CD1 3.63Å; Y348-L375 HydrophobicContact CG-CD2 4.5Å; I367-L375 HydrophobicContact CG2-CD1 3.64Å; S371-L375 WeakPolarHBondContact O-CG 3.41Å; S371-L375 PolarHBondContact O-N 3.33Å; S371-L375 VanDerWaalsContact OG-CD1 3.27Å; S371-L375 WeakPolarHBondContact OG-CD1 3.41Å; E372-L375 PolarHBondContact O-N 3.44Å; L375-Q378 CarbonylContact O-C 3.57Å; L375-Q378 PolarHBondContact O-N 2.98Å; L375-Q378 VanDerWaalsContact O-N 3.15Å; L375-A379 WeakPolarHBondContact O-CB 3.48Å; L375-A379 PolarHBondContact O-N 3.24Å
376V94.1Very high87.4Confident45 Ų45102.6 Ų102.627%0.27348%0.482SS..Hα-helixtrans-60.2-46.7175.9171.50000110.7V301 S305 E372 Q378 A379V301-V376 HydrophobicContact CG1-CG2 4.18Å; S305-V376 VanDerWaalsContact OG-CG2 3.23Å; S305-V376 WeakPolarHBondContact OG-CG2 2.89Å; E372-V376 HydrophobicContact CG-CG2 3.87Å; E372-V376 WeakPolarHBondContact O-CG2 3.47Å; E372-V376 PolarHBondContact O-N 2.95Å; V376-Q378 PolarHBondContact O-N 3.15Å; V376-A379 VanDerWaalsContact O-CB 3.3Å; V376-A379 WeakPolarHBondContact O-CB 3.41Å; V376-A379 PolarHBondContact O-N 3.16Å
377E92.8Very high84.9Confident118 Ų118100 Ų10055%0.55149%0.492SS*.Hα-helixtrans-61.4-30.2176.7-157.1-148.1162.800112.7S373 R381S373-E377 WeakPolarHBondContact O-CB 3.47Å; S373-E377 PolarHBondContact O-N 3.31Å; S373-E377 VanDerWaalsContact O-N 3.11Å; E377-R381 VanDerWaalsContact CD-NH2 3.34Å; E377-R381 WeakPolarHBondContact O-CG 3.48Å; E377-R381 PolarHBondContact O-NE 3.1Å; E377-R381 IonicContact OE1-CZ 3.5Å; E377-R381 IonicContact OE1-NH2 3.78Å; E377-R381 PolarHBondContact OE1-NH2 3.11Å; E377-R381 IonicContact OE2-NH2 3.67Å
378Q92.4Very high82.3Confident103 Ų103105.9 Ų105.948%0.48153%0.528SS..Hα-helixtrans-87.2-17.3175.4-68.7177.929.700113.6Q298 K374 L375 V376 F380 R381Q298-Q378 PolarHBondContact NE2-O 3.27Å; K374-Q378 VanDerWaalsContact O-CG 3.24Å; K374-Q378 WeakPolarHBondContact O-CG 3.4Å; K374-Q378 PolarHBondContact O-N 3.12Å; L375-Q378 CarbonylContact O-C 3.57Å; L375-Q378 PolarHBondContact O-N 2.98Å; L375-Q378 VanDerWaalsContact O-N 3.15Å; V376-Q378 PolarHBondContact O-N 3.15Å; Q378-F380 VanDerWaalsContact C-N 3.32Å; Q378-F380 PolarHBondContact O-N 3.18Å; Q378-R381 PolarHBondContact O-N 2.87Å
379A91.8Very high79.8Confident1 Ų1107.7 Ų107.71%0.00855%0.551CS.*Hα-helixtrans-64.1-36.3-173.400000112.5V301 Q302 L375 V376V301-A379 HydrophobicContact CB-CB 4.07Å; V301-A379 HydrophobicContact CG1-CB 3.65Å; Q302-A379 HydrophobicContact CG-CB 4Å; Q302-A379 PolarHBondContact NE2-O 3.4Å; L375-A379 WeakPolarHBondContact O-CB 3.48Å; L375-A379 PolarHBondContact O-N 3.24Å; V376-A379 VanDerWaalsContact O-CB 3.3Å; V376-A379 WeakPolarHBondContact O-CB 3.41Å; V376-A379 PolarHBondContact O-N 3.16Å
380F91Very high77.3Confident128 Ų128108 Ų10856%0.56155%0.552SS**THydrogen-bonded Turntrans-93.8-6.3-179.3-59.1-80.3000113.7Q302 Q378 K382Q302-F380 HydrophobicContact CG-CD1 4.41Å; Q302-F380 HydrophobicContact CG-CE1 3.95Å; Q302-F380 HydrophobicContact CG-CZ 4.09Å; Q378-F380 VanDerWaalsContact C-N 3.32Å; Q378-F380 PolarHBondContact O-N 3.18Å; F380-K382 PolarHBondContact O-N 2.94Å
381R89.8Confident75.1Confident142 Ų142113.5 Ų113.554%0.53656%0.56SS.*SBendtrans-71.899177.2-66.4-178.5-178-152.5-3.9109.9Q298 E377 Q378 R383Q298-R381 PolarHBondContact NE2-O 2.66Å; E377-R381 VanDerWaalsContact CD-NH2 3.34Å; E377-R381 WeakPolarHBondContact O-CG 3.48Å; E377-R381 PolarHBondContact O-NE 3.1Å; E377-R381 IonicContact OE1-CZ 3.5Å; E377-R381 IonicContact OE1-NH2 3.78Å; E377-R381 PolarHBondContact OE1-NH2 3.11Å; E377-R381 IonicContact OE2-NH2 3.67Å; Q378-R381 PolarHBondContact O-N 2.87Å; R381-R383 PolarHBondContact O-N 3.38Å
382K83.7Confident72.8Confident149 Ų149124 Ų12465%0.64860%0.597SS**  trans-49.4121.2176.5-66.7-176.8178.8177.20110.1P293 Y294 F380 R384P293-K382 HydrophobicContact CB-CB 4.49Å; P293-K382 HydrophobicContact CG-CB 4.22Å; P293-K382 HydrophobicContact CG-CD 4.11Å; P293-K382 HydrophobicContact CG-CG 3.97Å; Y294-K382 HydrophobicContact CE1-CB 4.37Å; Y294-K382 HydrophobicContact CE1-CG 3.74Å; F380-K382 PolarHBondContact O-N 2.94Å; K382-R384 PolarHBondContact O-N 3.19Å; K382-R384 VanDerWaalsContact O-N 3.13Å
383R74.3Confident70.6Confident140 Ų140127.2 Ų127.253%0.52862%0.62SS.*  trans-68.6112.7-179.1176.4169.7172.6161.4-4.7108.5P293 R381 Q385P293-R383 WeakPolarHBondContact O-CB 3.34Å; P293-R383 PolarHBondContact O-N 3.21Å; R381-R383 PolarHBondContact O-N 3.38Å; R383-Q385 PolarHBondContact O-N 2.87Å
384R65.7Low68.5Low231 Ų231127.9 Ų127.987%0.87262%0.621SS**  trans-49131.8164.2-73.2-170.1-179.8-165.70.3107.8K382 R386K382-R384 PolarHBondContact O-N 3.19Å; K382-R384 VanDerWaalsContact O-N 3.13Å; R384-R386 PolarHBondContact O-N 3.24Å
385Q57.6Low66.2Low186 Ų186129.8 Ų129.887%0.86963%0.63SS**  trans-50.6106.1167.4-72.9-76.312.600106.9R383 G387R383-Q385 PolarHBondContact O-N 2.87Å; Q385-G387 VanDerWaalsContact C-N 3.3Å; Q385-G387 PolarHBondContact O-N 3.28Å
386R55.3Low63.7Low207 Ų207132.1 Ų132.178%0.78166%0.661SS**  trans-68.8104.5164-71.5-166.5-172.6-170.62.8102.8R384 V388R384-R386 PolarHBondContact O-N 3.24Å; R386-V388 PolarHBondContact O-N 3.5Å
387G43.2Very low61.6Low62 Ų62135.7 Ų135.764%0.63969%0.685SS**  trans-45.5138.8175.700000108.6Q385 A389Q385-G387 VanDerWaalsContact C-N 3.3Å; Q385-G387 PolarHBondContact O-N 3.28Å; G387-A389 PolarHBondContact O-N 2.92Å
388V42.6Very low59.7Low137 Ų137138.2 Ų138.283%0.8370%0.701SS**  trans-45.1135.4174.1-175.50000107.1R386 C390R386-V388 PolarHBondContact O-N 3.5Å; V388-C390 PolarHBondContact O-N 2.75Å
389A45Very low57.2Low97 Ų97139.3 Ų139.380%0.80272%0.72SS**  trans-66.381.1177.200000108.7G387 F391G387-A389 PolarHBondContact O-N 2.92Å; A389-F391 PolarHBondContact O-N 2.96Å
390C43.3Very low55.1Low105 Ų105144.6 Ų144.671%0.70976%0.757SS**  trans-54.1137.9167.4480000107.3V388 R392V388-C390 PolarHBondContact O-N 2.75Å; C390-R392 PolarHBondContact O-N 3.11Å
391F46.9Very low52.7Low202 Ų202150.3 Ų150.389%0.88678%0.775SS**  trans-54.1115.3177.2-76.2-104.4000107.8A389 T393A389-F391 PolarHBondContact O-N 2.96Å; F391-T393 VanDerWaalsContact C-N 3.29Å; F391-T393 PolarHBondContact O-N 2.83Å
392R43.4Very low50.3Low240 Ų240149.2 Ų149.291%0.90679%0.789SS**  trans-67.197.3167.7-76.3-172.6178.2-88.64.9106.6C390C390-R392 PolarHBondContact O-N 3.11Å
393T48.5Very low48.5Very low112 Ų112146.3 Ų146.369%0.68779%0.793SS**  trans-55.5128.5168.841.60000108.4F391 F395F391-T393 VanDerWaalsContact C-N 3.29Å; F391-T393 PolarHBondContact O-N 2.83Å; T393-F395 PolarHBondContact O-N 3.16Å
394P49.6Very low47.2Very low112 Ų112145.9 Ų145.973%0.72781%0.808SS**SBendtrans-75.89.6-171.328.8-34.2000114.5
395F45.6Very low46.2Very low183 Ų183139.4 Ų139.480%0.80380%0.804SS**  trans-140135.1-179.1-57.1-74.9000110.1T393T393-F395 PolarHBondContact O-N 3.16Å
396G40.8Very low45.1Very low75 Ų75136.3 Ų136.377%0.77380%0.803SS**  trans130.5130.3178.700000112.5
397P51.1Low45Very low120 Ų120131.8 Ų131.878%0.77980%0.8SS**  trans-119.6174-148.943.7-32.8000116.3
398L52.8Low44.9Very low170 Ų170135 Ų13589%0.8981%0.807SS**  trans58.491.1164.4-55-176.2000118.5
399S39.3Very low44.6Very low126 Ų126136 Ų13688%0.88180%0.803SS**  trans-155.3131.1136-155.50000112.1
400S47.5Very low44.2Very low113 Ų113139.4 Ų139.479%0.7980%0.802SS**  trans-69.5128.4-163.5-50.20000114.8
401R40.7Very low43.7Very low248 Ų248137.9 Ų137.994%0.93680%0.804SS**  trans-141.895.8150.6-80.8-160.4161.9-106.6-11.7110.9
402S39.9Very low43.2Very low119 Ų119136 Ų13683%0.83280%0.802SS**PPolyproline II helixtrans-59.2135.1170.1-38.90000110.5
403A45.5Very low42.8Very low88 Ų88131.5 Ų131.573%0.72780%0.796SS**PPolyproline II helixtrans-80.4146.1159.700000109
404P46.8Very low42.5Very low130 Ų130131.3 Ų131.384%0.84480%0.799SS**PPolyproline II helixtrans-71.4128.9171.630-32.7000109.8
405A44.7Very low42.7Very low96 Ų96131.8 Ų131.879%0.79380%0.802SS**PPolyproline II helixtrans-87144.6165.400000109.7
406S34.7Very low42.1Very low120 Ų120128.5 Ų128.584%0.83980%0.801SS**PPolyproline II helixtrans-70.8150.3169.8-67.50000111
407P53.6Low41.7Very low112 Ų112129.9 Ų129.973%0.72780%0.799SS**PPolyproline II helixtrans-87.1172.6-17436-37.5000113.9
408T40Very low41.1Very low129 Ų129130.4 Ų130.479%0.79181%0.806SS**  trans79.4135.1165-44.30000114.1
409H36.2Very low40.1Very low160 Ų160125.5 Ų125.574%0.74180%0.797SS**  cis-126.6174.312.2-161.2-95.7000113.8
410Q37.2Very low40.1Very low168 Ų168127.5 Ų127.579%0.78580%0.797SS**  trans-79.3160.7175.7-54.9158.1-35.500113.1
411G33.7Very low39.3Very low72 Ų72131.3 Ų131.374%0.74280%0.802SS**  trans147.486.4148.300000119.4
412L36.2Very low39.3Very low162 Ų162125.6 Ų125.685%0.84879%0.794SS**  trans37.6130139-64.7172.2000123.4
413L35.5Very low39.5Very low147 Ų147126 Ų12677%0.7779%0.794SS**  trans69.8110.5139.9-61.7171.2000122.1
414S40.4Very low38.9Very low108 Ų108130.1 Ų130.176%0.75580%0.798SS**  trans65.3145.5130.8-57.30000122.2
415P54.5Low38.2Very low121 Ų121128.7 Ų128.779%0.78679%0.791SS**  trans-95.9162.8-177.938.7-36.3000114.2
416S32.3Very low37.6Very low114 Ų114131.7 Ų131.780%0.79779%0.792SS**  trans-159.1149.4159.9-80.70000112.7
417S34.3Very low37.6Very low104 Ų104131.6 Ų131.673%0.72779%0.792SS**  trans35.911716054.90000119.4
418S37.5Very low36.8Very low131 Ų131136.4 Ų136.492%0.91680%0.795SS**  69.4119.854.7-52.40000114.5
419G31.9Very low36.4Very low68 Ų68138.4 Ų138.470%0.70180%0.796SS**  trans145.280.7-177.900000109.7
420L38.2Very low36.2Very low168 Ų168133.8 Ų133.888%0.8879%0.791SS**  50.497.282.1-63.5-179.7000113.7
421Q32.6Very low36.1Very low193 Ų193131.8 Ų131.890%0.90280%0.796SS**  -176.2138109.7-97.1165.910.100111.4
422T40.4Very low36.7Very low127 Ų127134.4 Ų134.478%0.77980%0.8SS**  trans-85.3158.7153.747.50000108.4
423P44.1Very low36.7Very low127 Ų127134.4 Ų134.483%0.82580%0.799SS**  -134.2173.696.637.3-27.2000113.8
424E32.4Very low37Very low175 Ų175132.5 Ų132.582%0.81880%0.795SS**  trans-84.8173.9-179.5-67.7174.975.300113.9
425C32.3Very low36.6Very low101 Ų101135.7 Ų135.768%0.68280%0.798SS**  trans91.8126.2135.7-98.40000120.6
426L31.5Very low35.4Very low158 Ų158136.5 Ų136.583%0.82780%0.796SS**  trans71.9150.9159.1-50.2177.1000115.3
427S35.9Very low35.5Very low118 Ų118139.7 Ų139.783%0.82580%0.798SS**  cis-126.8172.916.4-720000114.7
428R36.7Very low35.4Very low213 Ų213142.6 Ų142.680%0.80480%0.8SS**  trans-134.3137-174.6178.2-165.2162177.2-4.3108.4
429E30.7Very low35.1Very low172 Ų172143.4 Ų143.480%0.80479%0.789SS**  trans64.1158.8-175.5-44.1-149.960.700114.1
430G32.3Very low35Very low62 Ų62148.8 Ų148.864%0.63980%0.796SS**  cis175.3138.8-800000110.1
431S34.4Very low34.7Very low127 Ų127149.2 Ų149.289%0.88880%0.798SS**  trans-115123.7-169.1-61.10000114.2
432P47.2Very low34.7Very low126 Ų126143.8 Ų143.882%0.81879%0.786SS**  trans-86.1167.1156.734.7-31.4000112.4
433I35.7Very low34.4Very low163 Ų163142.7 Ų142.784%0.83678%0.784SS**  trans-107.6141.3177.8-62.5163.2000105.1
434P41.8Very low33.8Very low107 Ų107145.7 Ų145.770%0.69578%0.784SS**  -157161.766.237.8-14.5000120
435Q31.7Very low33.7Very low175 Ų175144.9 Ų144.982%0.81878%0.784SS**  169.6160.1107.2-88.2-165.7-106.100112.4
436D30Very low33.6Very low138 Ų138144.6 Ų144.674%0.73879%0.789SS**  trans-64.2161.8178.2-65.7-100.2000115.1
437H33.5Very low33.6Very low181 Ų181141.9 Ų141.984%0.83878%0.784SS**  179.5137.1112.9-90-62.3000114
438H32.8Very low33.4Very low164 Ų164142.6 Ų142.676%0.75978%0.783SS**  trans72.5109.8148.5-132.830.3000123.1
439E30.4Very low33.8Very low148 Ų148138 Ų13869%0.69278%0.78SS**  trans23.2120.8139.6-66.6174.69900124.3
440Q30.7Very low34Very low182 Ų182137.2 Ų137.285%0.8578%0.777SS**  36.7118.5129.4-60.8-172.5-3.600121.4
441L32.5Very low33.9Very low176 Ų176142.3 Ų142.392%0.92178%0.778SS**  trans-141.4144.9134-159.567.6000112.5
442A32.4Very low33.9Very low79 Ų79145.3 Ų145.365%0.65377%0.77SS**  trans-67.5164.517300000112.9
443S32.5Very low33.4Very low104 Ų104147.9 Ų147.973%0.72776%0.764SS**  cis-178.4150.4-15.4-94.70000108.7
444K32.3Very low33.2Very low190 Ų190145.9 Ų145.983%0.82677%0.765SS**  160.1142128.1-91.1173.6-179.3-179.30115.1
445L30.6Very low33.2Very low159 Ų159147.7 Ų147.783%0.83276%0.764SS**  trans65.294.9152.4-63.2168.6000120.4
446A29.9Very low33.3Very low94 Ų94145.1 Ų145.178%0.77777%0.765SS**  54.3145.5123.700000122.4
447S32Very low33.8Very low102 Ų102142.9 Ų142.971%0.71377%0.766SS**  cis-178.5146.2-15.153.70000110.9
448V31.9Very low34.6Very low133 Ų133140.6 Ų140.681%0.80677%0.767SS**  trans71.5142.3164.6175.60000113.5
449P43.8Very low34.4Very low116 Ų116136.6 Ų136.675%0.75377%0.77SS**  cis-133.1152.732.438.8-20.3000121
450E35.2Very low34.6Very low156 Ų156135.1 Ų135.173%0.72978%0.776SS**  trans9.6126.5139.2-85.9-178.411700125.2
451Y31.1Very low35.6Very low168 Ų168132 Ų13266%0.65977%0.772SS**  83.1114.6120.8-89.4-139.2000124.7
452R34.6Very low35.6Very low191 Ų191130.1 Ų130.172%0.72177%0.767SS**  62.6106.4128-62.8-168.2-164.8-1599.6122.4
453Y36.2Very low35.6Very low179 Ų179132.1 Ų132.170%0.70278%0.776SS**  43.6128.298-149-89.6000120Q455Y453-Q455 HydrophobicContact CE1-CB 4.03Å; Y453-Q455 HydrophobicContact CE1-CG 4.14Å; Y453-Q455 PolarHBondContact OH-NE2 2.92Å
454S31.1Very low35.7Very low122 Ų122130.8 Ų130.885%0.85377%0.772SS**  trans-152.6148.8153.7-78.70000110.5
455Q42.8Very low35.6Very low145 Ų145129.2 Ų129.268%0.67877%0.768SS**  trans-125.6160.8-170.1-134.2-164.880.500110.9Y453Y453-Q455 HydrophobicContact CE1-CB 4.03Å; Y453-Q455 HydrophobicContact CE1-CG 4.14Å; Y453-Q455 PolarHBondContact OH-NE2 2.92Å
456S33.4Very low35.7Very low120 Ų120129.3 Ų129.384%0.83976%0.763SS**  trans-149147.4165.5-79.50000110.6
457A39.3Very low36.1Very low91 Ų91130.9 Ų130.975%0.75276%0.763SS**  trans-96.8-163.3-176.600000111.1
458P50.3Low36.4Very low134 Ų134133.8 Ų133.887%0.8777%0.769SS**  cis-141.6-177.512.243.7-23.9000117.5
459G30.1Very low36.6Very low80 Ų80135.9 Ų135.983%0.82577%0.772SS**  trans179.2159.816900000114.4
460S33.2Very low36Very low116 Ų116135.4 Ų135.481%0.81178%0.778SS**  trans-152.3152-179.6-178.20000110.8
461P51.8Low35.8Very low117 Ų117132.6 Ų132.676%0.7678%0.781SS**  -155.3157.7111.239.3-20.8000119.1
462V33.2Very low36.9Very low137 Ų137130 Ų13083%0.8379%0.785SS**  trans14.8128.3140.1-175.30000121.6
463S33.3Very low37.5Very low120 Ų120126.8 Ų126.884%0.83979%0.789SS**  -175.2177.3116.1-154.50000114.2
464A33Very low37.5Very low77 Ų77126.4 Ų126.464%0.63679%0.793SS**  trans-75.2-174-173.800000114.3
465Q31.6Very low38.3Very low157 Ų157126.2 Ų126.273%0.73479%0.789SS**  cis-165.8146.216.9-149.8156.6-63.200108
466H32.4Very low37.8Very low160 Ų160125.1 Ų125.174%0.74179%0.792SS**  170.3169.189.1-111.3-77.8000110.8
467V38.2Very low37.8Very low127 Ų127125.4 Ų125.477%0.7779%0.789SS**  trans-128.5139.7176.5174.40000111.2
468I37Very low37.5Very low163 Ų163128.8 Ų128.884%0.83679%0.793SS**  trans-142.9142.6165.5-59.8-177.2000109.6
469M36.3Very low36.6Very low178 Ų178130.8 Ų130.888%0.87779%0.788SS**  trans-118.6141.9166.5-70.3-144.9-56.600111.1
470A30.8Very low37.5Very low105 Ų105132.1 Ų132.187%0.86878%0.782SS**  trans-165147.1160.900000113.4
471A31.4Very low37.7Very low98 Ų98133.3 Ų133.381%0.8178%0.778SS**  trans-167.3168.916300000107.6
472P55.6Low36.8Very low113 Ų113133.8 Ų133.873%0.73477%0.774SS**  cis-115-154.4-10.434.4-13.9000111.1
473P47.2Very low36.7Very low123 Ų123134 Ų13480%0.79977%0.768SS**  -148.2176.391.638.9-21000116.5
474H34.9Very low36.6Very low171 Ų171135 Ų13579%0.79276%0.763SS**  trans-110.2165.6171.9-86.9-73.9000111.7
475P48.3Very low36.6Very low119 Ų119138.9 Ų138.977%0.77377%0.768SS**  -141.5-172.3104.840-28.7000113.8
476T32.9Very low36.6Very low121 Ų121136 Ų13674%0.74277%0.765SS**  -178.3171-53.7-68.70000106.2
477V33.4Very low36.7Very low126 Ų126133 Ų13376%0.76477%0.768SS**  trans83.7125.4171.7-179.20000114.5
478L33.1Very low37.4Very low163 Ų163132 Ų13285%0.85377%0.765SS**  cis-148.6-178.3-2.7-120.6172.6000112.5
479K31.2Very low37.3Very low176 Ų176132.7 Ų132.777%0.76576%0.764SS**  trans-116.3169.8-175.7-116.6173.7-174.6175.90110.2
480P49.3Very low38Very low107 Ų107129.6 Ų129.670%0.69576%0.757SS**  -150.2153.45745.9-25.1000117.1
481I37.5Very low38.1Very low141 Ų141129.9 Ų129.972%0.72375%0.753SS**  71.3130.6104-60.2176.6000113.9
482N31.2Very low38.3Very low128 Ų128131.3 Ų131.368%0.68475%0.751SS**  cis-157.8173.422.3-136.4-10.4000116.3
483M31.6Very low37.4Very low140 Ų140132.9 Ų132.969%0.6976%0.759SS**  trans60.9112.9148.8-66.6-51.516700125.4
484L30.7Very low36.8Very low141 Ų141135.1 Ų135.174%0.73876%0.761SS**  74.4133.9115.9-128.573.2000125
485Q33.1Very low36.9Very low159 Ų159133 Ų13374%0.74376%0.76SS**  trans85.8102.2139.9-141.4131.1-500124.1
486S31.4Very low36.3Very low96 Ų96138.1 Ų138.167%0.67176%0.764SS**  trans15.1127.414467.10000124.7
487A34.8Very low36.4Very low98 Ų98138.6 Ų138.681%0.8177%0.766SS**  74.4158.1124.400000121.6
488P54.3Low36.3Very low106 Ų106139.5 Ų139.569%0.68877%0.772SS**  trans-123.8158.2-161.741.6-28.2000116.9
489Q34.2Very low36.4Very low178 Ų178138.1 Ų138.183%0.83277%0.77SS**  trans-163.3158.8140.6-85-39-53.600111.3
490P50.4Low36.5Very low112 Ų112134.4 Ų134.473%0.72777%0.766SS**  trans-112.7153.8172.639.1-29.3000114.5
491S34.1Very low35.9Very low111 Ų111133.7 Ų133.778%0.77677%0.769SS**  trans-155.9120.6164.354.10000110.8
492V35.3Very low36.7Very low129 Ų129132.5 Ų132.578%0.78277%0.771SS**  80.312691.3172.30000115.4
493T37Very low36.7Very low146 Ų146134 Ų13490%0.89678%0.778SS**  trans-145.1152.4150.6-62.80000108.1
494M34.3Very low36.8Very low169 Ų169132.9 Ų132.983%0.83378%0.779SS**  trans-135.2-161.6-162.1-142.6-160.1-145.300112.3
495V35.8Very low36.8Very low127 Ų127131.4 Ų131.477%0.7778%0.78SS**  trans80.7134.8173.6179.80000114.7
496R36.1Very low37Very low227 Ų227128.3 Ų128.386%0.85778%0.782SS**  cis-158.4-160.7-17.3-110.8-172.9172.6163.2-2.7108.4
497V34.6Very low38Very low130 Ų130129.5 Ų129.579%0.78879%0.787SS**  -164.7130.3-98.6149.20000109.7
498V32.1Very low39.2Very low146 Ų146129.9 Ų129.989%0.88578%0.781SS**  trans-152.6172.6172.3-136.60000111.6
499T35.3Very low38.4Very low133 Ų133132.2 Ų132.282%0.81679%0.788SS**  trans-159.3171178.3-162.40000108.5
500S34Very low38.3Very low98 Ų98126.7 Ų126.769%0.68578%0.779SS**  cis-163.2-163.819.569.10000112.3
501A35.8Very low37.5Very low92 Ų92132 Ų13276%0.7679%0.786SS**  trans89.5157.2153.900000120.4
502P55.4Low37.5Very low117 Ų117130.9 Ų130.976%0.7678%0.778SS**  trans-137.6-171.2-156.141.8-21.7000117.7
503L31.6Very low37.4Very low159 Ų159130.3 Ų130.383%0.83278%0.775SS**  trans105.6148.7142.8-147.876.2000120.2
504V32.4Very low37.1Very low117 Ų117130.8 Ų130.871%0.70977%0.771SS**  trans97.2131.4154.1-170.20000121.4
505S30.6Very low37Very low110 Ų110128.2 Ų128.277%0.76977%0.765SS**  trans76.2131.215460.70000123.8
506A37.9Very low37Very low93 Ų93129.2 Ų129.277%0.76977%0.771SS**  trans-107166.3136.800000108.1
507P52.6Low36.7Very low121 Ų121122.2 Ų122.279%0.78677%0.77SS**  -150.8175.9101.239.9-23.5000115.5
508P60.1Low36.5Very low106 Ų106119 Ų11969%0.68876%0.764SS**  trans-113.6-178.8177.142.3-34000115.3
509N37.8Very low36.5Very low156 Ų156119.6 Ų119.683%0.83476%0.761SS**  trans87.1135.9159.3-61-13.4000121.5
510G30.3Very low36.4Very low62 Ų62120.7 Ų120.764%0.63976%0.757SS**  trans-170.8125.3154.900000109.5
511Y35.2Very low36.3Very low224 Ų224121.4 Ų121.488%0.87876%0.761SS**  82.3133.163-73.8-51.8000113
512S34.2Very low36.2Very low86 Ų86123.8 Ų123.860%0.60176%0.761SS**  cis-168.5145.6-5.8-159.40000115.6
513T33Very low35.1Very low118 Ų118123.2 Ų123.272%0.72476%0.76SS**  trans56.7160140.447.30000125.6
514L30Very low35.1Very low155 Ų155122.1 Ų122.181%0.81276%0.755SS**  trans102.8139.4161.8-58.3-179.9000117.3
515T32.8Very low35.3Very low116 Ų116123.3 Ų123.371%0.71276%0.756SS**  cis-167.5158.3-31.75.70000113.6
516V35.1Very low35.5Very low147 Ų147128.9 Ų128.989%0.89176%0.76SS**  trans73.9131.8150.4169.90000122.5
517G29.5Very low35.1Very low80 Ų80128.1 Ų128.183%0.82576%0.762SS**  trans99.6138.6155.700000117.1
518G30.4Very low34.3Very low64 Ų64130.8 Ų130.866%0.6676%0.764SS**  cis161.7140.1-12.400000113.6
519L33.5Very low33.1Very low157 Ų157131 Ų13182%0.82276%0.763SS**  trans66.3157.5171.2-52.5118.6000115.6
520E32.1Very low32.9Very low157 Ų157130.2 Ų130.273%0.73476%0.759SS**  cis-163.2149.2-11.8-123.6174.8153.600112.6
521S33Very low33.1Very low112 Ų112133 Ų13378%0.78376%0.763SS**  trans66.9159.4143.787.90000119.3
522N31.9Very low33Very low142 Ų142128.9 Ų128.976%0.75976%0.762SS**  cis-160.7152.2-30.3-156.60.5000111.1
523S32.6Very low32.8Very low106 Ų106130.3 Ų130.374%0.74177%0.77SS**  trans53.7172.7151.761.40000122.5
524D32.5Very low32.9Very low135 Ų135136.2 Ų136.272%0.72278%0.779SS**  -166.3169.9-61.8-147.9-31.6000109.3
525I35.6Very low33Very low143 Ų143136 Ų13673%0.73378%0.778SS**  trans66.4160.4157.6-69.4164000117.4
526R34.8Very low33.2Very low227 Ų227138.6 Ų138.686%0.85779%0.787SS**  177.7130.6-58.3-108.9-173.8-179.7-148.15.1108.8
527G29.9Very low33.1Very low77 Ų77138.1 Ų138.179%0.79478%0.778SS**  trans69.8175.8162.600000117.9
528E35.2Very low33.4Very low177 Ų177142.5 Ų142.583%0.82778%0.782SS**  cis-164.6157.8-22.8-135.5-178.7169.900112.6
529T36.2Very low33.7Very low109 Ų109149.2 Ų149.267%0.66979%0.787SS**  trans69.5129.4157.7620000124.3
530N33.4Very low33.8Very low141 Ų141149 Ų14975%0.75479%0.787SS**  trans76.7114.1130.2-68.2-23.4000126.6
531V34.9Very low34.2Very low121 Ų121148.7 Ų148.773%0.73379%0.785SS**  59.3122.6123.9-1760000121.4
532T32Very low34.4Very low137 Ų137148.8 Ų148.884%0.8478%0.784SS**  -175.8159.9121.4-74.70000111.6
533C30.9Very low34.6Very low115 Ų115151.4 Ų151.478%0.77779%0.789SS**  trans-98153.1-165.2-55.60000116.5
534R34.7Very low34.7Very low243 Ų243151.1 Ų151.192%0.91779%0.787SS**  trans-162112.5140.9-100.9175.3-176-165.50.2107
535L31.2Very low35Very low149 Ų149150.6 Ų150.678%0.7879%0.789SS**  66.4100.863.9-169.174.7000114.1
536L37Very low35.1Very low172 Ų172148 Ų14890%0.90179%0.789SS**  trans-152.9146.9147.7-114.8170.6000109
537L34.1Very low35.3Very low137 Ų137149.9 Ų149.972%0.71781%0.81SS**  trans-99.4150.9-176.3-62.391.6000111.4
538L36.3Very low35.6Very low171 Ų171153.5 Ų153.590%0.89581%0.811SS**  -166.6156.1111.7-102.4156.8000112.1
539R35.7Very low35.6Very low206 Ų206152.3 Ų152.378%0.77781%0.81SS**  trans-154.1118.1-166.6173.8-171.8-179.5-1710.6109.7
540N36.8Very low35.6Very low152 Ų152154.7 Ų154.781%0.81382%0.818SS**  trans-162.7117.6164-83.5-35.4000104.9
541H40.4Very low35.7Very low151 Ų151155.5 Ų155.570%0.69982%0.822SS**  cis76.8122.532.8-128-69.4000114.1
542C37.1Very low35.8Very low113 Ų113157.6 Ų157.676%0.76483%0.828SS**  trans-86.6154.8-174.8-42.40000112.5
543F35.2Very low36Very low198 Ų198159 Ų15987%0.86883%0.827SS**  trans-170.2110139.9-108.2-88.2000105
544S35.3Very low36.4Very low100 Ų100162.1 Ų162.170%0.69983%0.83SS**  69.9128.378.9-175.90000115
545T37.6Very low36.5Very low124 Ų124155.9 Ų155.976%0.76182%0.824SS**  trans136.8137.2134.1-53.30000114.5
546A39.4Very low37Very low87 Ų87156.5 Ų156.572%0.71983%0.827SS**  trans60.2118163.500000120.6
547M38.6Very low37Very low267 Ų267155.1 Ų155.1100%1.31582%0.821SS**  -108.1086.6-81.4-170.7165.300109.1

Retrieved 547 of 547 residues in 203.2 ms (Link to these results)